data_16084 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16084 _Entry.Title ; SOLUTION STRUCTURE OF TETRATRICOPEPTIDE REPEAT DOMAIN PROTEIN SRU_0103 FROM SALINIBACTER RUBER, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET SrR115C ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-22 _Entry.Accession_date 2008-12-22 _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 SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Gaohua Liu . . . 16084 2 Paolo Rossi . . . 16084 3 Dongyan Wang . . . 16084 4 Chioma Nwosu . . . 16084 5 Leah Owens . . . 16084 6 Rong Xiao . . . 16084 7 Jinfeng Liu . . . 16084 8 Michael Baran . C. . 16084 9 G.V.T Swapna . . . 16084 10 Thomas Acton . B. . 16084 11 Burkhard Rost . . . 16084 12 Gaetano Montelione . T. . 16084 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 16084 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16084 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 310 16084 '15N chemical shifts' 99 16084 '1H chemical shifts' 655 16084 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 . . 2010-06-02 2008-12-22 update BMRB 'edti assembly name' 16084 2 . . 2009-06-02 2008-12-22 update BMRB 'added time domain data' 16084 1 . . 2009-01-09 2008-12-22 original author 'original release' 16084 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KCL 'BMRB Entry Tracking System' 16084 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16084 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'SOLUTION STRUCTURE OF TETRATRICOPEPTIDE REPEAT DOMAIN PROTEIN SRU_0103 FROM SALINIBACTER RUBER, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET SrR115C' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Gaohua Liu . . . 16084 1 2 Paolo Rossi . . . 16084 1 3 Dongyan Wang . . . 16084 1 4 Chioma Nwosu . . . 16084 1 5 Leah Owens . . . 16084 1 6 Rong Xiao . . . 16084 1 7 Jinfeng Liu . . . 16084 1 8 Michael Baran . C. . 16084 1 9 G.V.T Swapna . . . 16084 1 10 Thomas Acton . B. . 16084 1 11 Burkhard Rost . . . 16084 1 12 Gaetano Montelione . T. . 16084 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16084 _Assembly.ID 1 _Assembly.Name SRU_0103 _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 SRU_0103 1 $SRU_0103 A . yes native no no . . . 16084 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SRU_0103 _Entity.Sf_category entity _Entity.Sf_framecode SRU_0103 _Entity.Entry_ID 16084 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SRU_0103 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; EDPEDPFTRYALAQEHLKHD NASRALALFEELVETDPDYV GTYYHLGKLYERLDRTDDAI DTYAQGIEVAREEGTQKDLS ELQDAKLKAEGLEHHHHHH ; _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 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11487.540 _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 16821 . SRU_0103 . . . . . 100.00 198 100.00 100.00 2.56e-61 . . . . 16084 1 2 no PDB 2KCL . "Solution Nmr Structure Of Tetratricopeptide Repeat Domain Protein Sru_0103 From Salinibacter Ruber, Northeast Structural Genomi" . . . . . 100.00 99 100.00 100.00 1.01e-62 . . . . 16084 1 3 no PDB 2KCV . "Solution Nmr Structure Of Tetratricopeptide Repeat Domain Protein Sru_0103 From Salinibacter Ruber, Northeast Structural Genomi" . . . . . 100.00 99 100.00 100.00 1.01e-62 . . . . 16084 1 4 no PDB 3MA5 . "Crystal Structure Of The Tetratricopeptide Repeat Domain Protein Q2s6c5_salrd From Salinibacter Ruber. Northeast Structural Gen" . . . . . 100.00 100 100.00 100.00 8.52e-63 . . . . 16084 1 5 no EMBL CBH23027 . "Conserved hypothetical protein containing TPR repeat [Salinibacter ruber M8]" . . . . . 92.93 150 98.91 100.00 1.64e-56 . . . . 16084 1 6 no GB ABC44923 . "tetratricopeptide repeat domain protein [Salinibacter ruber DSM 13855]" . . . . . 92.93 150 98.91 100.00 1.89e-56 . . . . 16084 1 7 no REF WP_011402889 . "hypothetical protein [Salinibacter ruber]" . . . . . 92.93 150 98.91 100.00 1.89e-56 . . . . 16084 1 8 no REF WP_043551686 . "hypothetical protein [Salinibacter ruber]" . . . . . 92.93 109 98.91 100.00 7.11e-57 . . . . 16084 1 9 no REF YP_444256 . "hypothetical protein SRU_0103 [Salinibacter ruber DSM 13855]" . . . . . 92.93 150 98.91 100.00 1.89e-56 . . . . 16084 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 . GLU . 16084 1 2 . ASP . 16084 1 3 . PRO . 16084 1 4 . GLU . 16084 1 5 . ASP . 16084 1 6 . PRO . 16084 1 7 . PHE . 16084 1 8 . THR . 16084 1 9 . ARG . 16084 1 10 . TYR . 16084 1 11 . ALA . 16084 1 12 . LEU . 16084 1 13 . ALA . 16084 1 14 . GLN . 16084 1 15 . GLU . 16084 1 16 . HIS . 16084 1 17 . LEU . 16084 1 18 . LYS . 16084 1 19 . HIS . 16084 1 20 . ASP . 16084 1 21 . ASN . 16084 1 22 . ALA . 16084 1 23 . SER . 16084 1 24 . ARG . 16084 1 25 . ALA . 16084 1 26 . LEU . 16084 1 27 . ALA . 16084 1 28 . LEU . 16084 1 29 . PHE . 16084 1 30 . GLU . 16084 1 31 . GLU . 16084 1 32 . LEU . 16084 1 33 . VAL . 16084 1 34 . GLU . 16084 1 35 . THR . 16084 1 36 . ASP . 16084 1 37 . PRO . 16084 1 38 . ASP . 16084 1 39 . TYR . 16084 1 40 . VAL . 16084 1 41 . GLY . 16084 1 42 . THR . 16084 1 43 . TYR . 16084 1 44 . TYR . 16084 1 45 . HIS . 16084 1 46 . LEU . 16084 1 47 . GLY . 16084 1 48 . LYS . 16084 1 49 . LEU . 16084 1 50 . TYR . 16084 1 51 . GLU . 16084 1 52 . ARG . 16084 1 53 . LEU . 16084 1 54 . ASP . 16084 1 55 . ARG . 16084 1 56 . THR . 16084 1 57 . ASP . 16084 1 58 . ASP . 16084 1 59 . ALA . 16084 1 60 . ILE . 16084 1 61 . ASP . 16084 1 62 . THR . 16084 1 63 . TYR . 16084 1 64 . ALA . 16084 1 65 . GLN . 16084 1 66 . GLY . 16084 1 67 . ILE . 16084 1 68 . GLU . 16084 1 69 . VAL . 16084 1 70 . ALA . 16084 1 71 . ARG . 16084 1 72 . GLU . 16084 1 73 . GLU . 16084 1 74 . GLY . 16084 1 75 . THR . 16084 1 76 . GLN . 16084 1 77 . LYS . 16084 1 78 . ASP . 16084 1 79 . LEU . 16084 1 80 . SER . 16084 1 81 . GLU . 16084 1 82 . LEU . 16084 1 83 . GLN . 16084 1 84 . ASP . 16084 1 85 . ALA . 16084 1 86 . LYS . 16084 1 87 . LEU . 16084 1 88 . LYS . 16084 1 89 . ALA . 16084 1 90 . GLU . 16084 1 91 . GLY . 16084 1 92 . LEU . 16084 1 93 . GLU . 16084 1 94 . HIS . 16084 1 95 . HIS . 16084 1 96 . HIS . 16084 1 97 . HIS . 16084 1 98 . HIS . 16084 1 99 . HIS . 16084 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 . GLU 1 1 16084 1 . ASP 2 2 16084 1 . PRO 3 3 16084 1 . GLU 4 4 16084 1 . ASP 5 5 16084 1 . PRO 6 6 16084 1 . PHE 7 7 16084 1 . THR 8 8 16084 1 . ARG 9 9 16084 1 . TYR 10 10 16084 1 . ALA 11 11 16084 1 . LEU 12 12 16084 1 . ALA 13 13 16084 1 . GLN 14 14 16084 1 . GLU 15 15 16084 1 . HIS 16 16 16084 1 . LEU 17 17 16084 1 . LYS 18 18 16084 1 . HIS 19 19 16084 1 . ASP 20 20 16084 1 . ASN 21 21 16084 1 . ALA 22 22 16084 1 . SER 23 23 16084 1 . ARG 24 24 16084 1 . ALA 25 25 16084 1 . LEU 26 26 16084 1 . ALA 27 27 16084 1 . LEU 28 28 16084 1 . PHE 29 29 16084 1 . GLU 30 30 16084 1 . GLU 31 31 16084 1 . LEU 32 32 16084 1 . VAL 33 33 16084 1 . GLU 34 34 16084 1 . THR 35 35 16084 1 . ASP 36 36 16084 1 . PRO 37 37 16084 1 . ASP 38 38 16084 1 . TYR 39 39 16084 1 . VAL 40 40 16084 1 . GLY 41 41 16084 1 . THR 42 42 16084 1 . TYR 43 43 16084 1 . TYR 44 44 16084 1 . HIS 45 45 16084 1 . LEU 46 46 16084 1 . GLY 47 47 16084 1 . LYS 48 48 16084 1 . LEU 49 49 16084 1 . TYR 50 50 16084 1 . GLU 51 51 16084 1 . ARG 52 52 16084 1 . LEU 53 53 16084 1 . ASP 54 54 16084 1 . ARG 55 55 16084 1 . THR 56 56 16084 1 . ASP 57 57 16084 1 . ASP 58 58 16084 1 . ALA 59 59 16084 1 . ILE 60 60 16084 1 . ASP 61 61 16084 1 . THR 62 62 16084 1 . TYR 63 63 16084 1 . ALA 64 64 16084 1 . GLN 65 65 16084 1 . GLY 66 66 16084 1 . ILE 67 67 16084 1 . GLU 68 68 16084 1 . VAL 69 69 16084 1 . ALA 70 70 16084 1 . ARG 71 71 16084 1 . GLU 72 72 16084 1 . GLU 73 73 16084 1 . GLY 74 74 16084 1 . THR 75 75 16084 1 . GLN 76 76 16084 1 . LYS 77 77 16084 1 . ASP 78 78 16084 1 . LEU 79 79 16084 1 . SER 80 80 16084 1 . GLU 81 81 16084 1 . LEU 82 82 16084 1 . GLN 83 83 16084 1 . ASP 84 84 16084 1 . ALA 85 85 16084 1 . LYS 86 86 16084 1 . LEU 87 87 16084 1 . LYS 88 88 16084 1 . ALA 89 89 16084 1 . GLU 90 90 16084 1 . GLY 91 91 16084 1 . LEU 92 92 16084 1 . GLU 93 93 16084 1 . HIS 94 94 16084 1 . HIS 95 95 16084 1 . HIS 96 96 16084 1 . HIS 97 97 16084 1 . HIS 98 98 16084 1 . HIS 99 99 16084 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 16084 _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 $SRU_0103 . 146919 organism . 'Salinibacter ruber' 'Salinibacter ruber' . . Bacteria . Salinibacter ruber . . . . . . . . . . . . . . . . . . . . . 16084 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 16084 _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 $SRU_0103 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET 21-23C' . . . . . . 16084 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16084 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SRU_0103 '[U-100% 13C; U-100% 15N]' . . 1 $SRU_0103 . . 1.37 . . mM . . . . 16084 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16084 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SRU_0103 '[U-10% 13C; U-100% 15N]' . . 1 $SRU_0103 . . 1.05 . . mM . . . . 16084 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16084 _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' . . M 16084 1 pH 6.5 . pH 16084 1 pressure 1 . atm 16084 1 temperature 298 . K 16084 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16084 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16084 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16084 1 'structure solution' 16084 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16084 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16084 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 16084 2 refinement 16084 2 'structure solution' 16084 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 16084 _Software.ID 3 _Software.Name AutoStruct _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 16084 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16084 3 refinement 16084 3 'structure solution' 16084 3 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 16084 _Software.ID 4 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 16084 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16084 4 refinement 16084 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16084 _Software.ID 5 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16084 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16084 5 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 16084 _Software.ID 6 _Software.Name AutoAssign _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 16084 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16084 6 'data analysis' 16084 6 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 16084 _Software.ID 7 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 16084 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16084 7 'data analysis' 16084 7 refinement 16084 7 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16084 _Software.ID 8 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16084 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16084 8 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 16084 _Software.ID 9 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16084 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16084 9 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 16084 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 16084 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16084 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 16084 1 2 spectrometer_2 Varian INOVA . 600 . . . 16084 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 16084 _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' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16084 1 2 '2D 1H-15N HSQC' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16084 1 3 '3D HNCO' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16084 1 4 '3D 1H-15N NOESY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16084 1 5 '3D 1H-13C NOESY (aliph)' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16084 1 6 '4,3D GFT CABCACONHN' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16084 1 7 '4,3D GFT HNNCABCA' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16084 1 8 '4,3D GFT HABCABCONHN' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16084 1 9 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16084 1 10 '2D 1H-13C HSQC' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16084 1 11 '3D 1H-13C NOESY (arom)' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16084 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 16084 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 16084 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 16084 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 16084 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 16084 _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' . . . 16084 1 4 '3D 1H-15N NOESY' . . . 16084 1 5 '3D 1H-13C NOESY (aliph)' . . . 16084 1 11 '3D 1H-13C NOESY (arom)' . . . 16084 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 6 $AutoAssign . . 16084 1 7 $XEASY . . 16084 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 GLU HA H 1 4.33 0.02 . 1 . . . . 1 GLU HA . 16084 1 2 . 1 1 1 1 GLU HB2 H 1 1.88 0.02 . 2 . . . . 1 GLU HB2 . 16084 1 3 . 1 1 1 1 GLU HB3 H 1 2.04 0.02 . 2 . . . . 1 GLU HB3 . 16084 1 4 . 1 1 1 1 GLU HG2 H 1 2.23 0.02 . 2 . . . . 1 GLU HG2 . 16084 1 5 . 1 1 1 1 GLU HG3 H 1 2.23 0.02 . 2 . . . . 1 GLU HG3 . 16084 1 6 . 1 1 1 1 GLU CA C 13 56.2 0.5 . 1 . . . . 1 GLU CA . 16084 1 7 . 1 1 1 1 GLU CB C 13 30.1 0.5 . 1 . . . . 1 GLU CB . 16084 1 8 . 1 1 1 1 GLU CG C 13 36.0 0.5 . 1 . . . . 1 GLU CG . 16084 1 9 . 1 1 2 2 ASP H H 1 8.56 0.02 . 1 . . . . 2 ASP HN . 16084 1 10 . 1 1 2 2 ASP HA H 1 4.85 0.02 . 1 . . . . 2 ASP HA . 16084 1 11 . 1 1 2 2 ASP HB2 H 1 2.52 0.02 . 2 . . . . 2 ASP HB2 . 16084 1 12 . 1 1 2 2 ASP HB3 H 1 2.76 0.02 . 2 . . . . 2 ASP HB3 . 16084 1 13 . 1 1 2 2 ASP CA C 13 52.2 0.5 . 1 . . . . 2 ASP CA . 16084 1 14 . 1 1 2 2 ASP CB C 13 40.9 0.5 . 1 . . . . 2 ASP CB . 16084 1 15 . 1 1 2 2 ASP N N 15 123.0 0.5 . 1 . . . . 2 ASP N . 16084 1 16 . 1 1 3 3 PRO HA H 1 4.38 0.02 . 1 . . . . 3 PRO HA . 16084 1 17 . 1 1 3 3 PRO HB2 H 1 1.92 0.02 . 2 . . . . 3 PRO HB2 . 16084 1 18 . 1 1 3 3 PRO HB3 H 1 2.29 0.02 . 2 . . . . 3 PRO HB3 . 16084 1 19 . 1 1 3 3 PRO HD2 H 1 3.78 0.02 . 2 . . . . 3 PRO HD2 . 16084 1 20 . 1 1 3 3 PRO HD3 H 1 3.86 0.02 . 2 . . . . 3 PRO HD3 . 16084 1 21 . 1 1 3 3 PRO HG2 H 1 2.00 0.02 . 2 . . . . 3 PRO HG2 . 16084 1 22 . 1 1 3 3 PRO HG3 H 1 2.00 0.02 . 2 . . . . 3 PRO HG3 . 16084 1 23 . 1 1 3 3 PRO CA C 13 63.5 0.5 . 1 . . . . 3 PRO CA . 16084 1 24 . 1 1 3 3 PRO CB C 13 32.1 0.5 . 1 . . . . 3 PRO CB . 16084 1 25 . 1 1 3 3 PRO CD C 13 50.7 0.5 . 1 . . . . 3 PRO CD . 16084 1 26 . 1 1 3 3 PRO CG C 13 27.1 0.5 . 1 . . . . 3 PRO CG . 16084 1 27 . 1 1 4 4 GLU H H 1 8.41 0.02 . 1 . . . . 4 GLU HN . 16084 1 28 . 1 1 4 4 GLU HA H 1 4.25 0.02 . 1 . . . . 4 GLU HA . 16084 1 29 . 1 1 4 4 GLU HB2 H 1 1.89 0.02 . 2 . . . . 4 GLU HB2 . 16084 1 30 . 1 1 4 4 GLU HB3 H 1 2.06 0.02 . 2 . . . . 4 GLU HB3 . 16084 1 31 . 1 1 4 4 GLU HG2 H 1 2.19 0.02 . 2 . . . . 4 GLU HG2 . 16084 1 32 . 1 1 4 4 GLU HG3 H 1 2.29 0.02 . 2 . . . . 4 GLU HG3 . 16084 1 33 . 1 1 4 4 GLU CA C 13 55.9 0.5 . 1 . . . . 4 GLU CA . 16084 1 34 . 1 1 4 4 GLU CB C 13 30.1 0.5 . 1 . . . . 4 GLU CB . 16084 1 35 . 1 1 4 4 GLU CG C 13 36.2 0.5 . 1 . . . . 4 GLU CG . 16084 1 36 . 1 1 4 4 GLU N N 15 118.3 0.5 . 1 . . . . 4 GLU N . 16084 1 37 . 1 1 5 5 ASP H H 1 8.03 0.02 . 1 . . . . 5 ASP HN . 16084 1 38 . 1 1 5 5 ASP HA H 1 4.73 0.02 . 1 . . . . 5 ASP HA . 16084 1 39 . 1 1 5 5 ASP HB2 H 1 2.84 0.02 . 2 . . . . 5 ASP HB2 . 16084 1 40 . 1 1 5 5 ASP HB3 H 1 2.82 0.02 . 2 . . . . 5 ASP HB3 . 16084 1 41 . 1 1 5 5 ASP CA C 13 52.6 0.5 . 1 . . . . 5 ASP CA . 16084 1 42 . 1 1 5 5 ASP CB C 13 41.7 0.5 . 1 . . . . 5 ASP CB . 16084 1 43 . 1 1 5 5 ASP N N 15 123.7 0.5 . 1 . . . . 5 ASP N . 16084 1 44 . 1 1 6 6 PRO HA H 1 3.94 0.02 . 1 . . . . 6 PRO HA . 16084 1 45 . 1 1 6 6 PRO HB2 H 1 0.94 0.02 . 2 . . . . 6 PRO HB2 . 16084 1 46 . 1 1 6 6 PRO HB3 H 1 1.61 0.02 . 2 . . . . 6 PRO HB3 . 16084 1 47 . 1 1 6 6 PRO HD2 H 1 3.75 0.02 . 2 . . . . 6 PRO HD2 . 16084 1 48 . 1 1 6 6 PRO HD3 H 1 3.88 0.02 . 2 . . . . 6 PRO HD3 . 16084 1 49 . 1 1 6 6 PRO HG2 H 1 1.77 0.02 . 2 . . . . 6 PRO HG2 . 16084 1 50 . 1 1 6 6 PRO HG3 H 1 1.84 0.02 . 2 . . . . 6 PRO HG3 . 16084 1 51 . 1 1 6 6 PRO CA C 13 64.9 0.5 . 1 . . . . 6 PRO CA . 16084 1 52 . 1 1 6 6 PRO CB C 13 31.0 0.5 . 1 . . . . 6 PRO CB . 16084 1 53 . 1 1 6 6 PRO CD C 13 50.8 0.5 . 1 . . . . 6 PRO CD . 16084 1 54 . 1 1 6 6 PRO CG C 13 27.3 0.5 . 1 . . . . 6 PRO CG . 16084 1 55 . 1 1 7 7 PHE H H 1 8.13 0.02 . 1 . . . . 7 PHE HN . 16084 1 56 . 1 1 7 7 PHE HA H 1 4.22 0.02 . 1 . . . . 7 PHE HA . 16084 1 57 . 1 1 7 7 PHE HB2 H 1 3.05 0.02 . 2 . . . . 7 PHE HB2 . 16084 1 58 . 1 1 7 7 PHE HB3 H 1 3.31 0.02 . 2 . . . . 7 PHE HB3 . 16084 1 59 . 1 1 7 7 PHE HD1 H 1 7.33 0.02 . 3 . . . . 7 PHE HD1 . 16084 1 60 . 1 1 7 7 PHE HD2 H 1 7.33 0.02 . 3 . . . . 7 PHE HD2 . 16084 1 61 . 1 1 7 7 PHE HE1 H 1 7.37 0.02 . 3 . . . . 7 PHE HE1 . 16084 1 62 . 1 1 7 7 PHE HE2 H 1 7.37 0.02 . 3 . . . . 7 PHE HE2 . 16084 1 63 . 1 1 7 7 PHE HZ H 1 7.32 0.02 . 1 . . . . 7 PHE HZ . 16084 1 64 . 1 1 7 7 PHE CA C 13 60.8 0.5 . 1 . . . . 7 PHE CA . 16084 1 65 . 1 1 7 7 PHE CB C 13 38.3 0.5 . 1 . . . . 7 PHE CB . 16084 1 66 . 1 1 7 7 PHE CD1 C 13 131.9 0.5 . 1 . . . . 7 PHE CD1 . 16084 1 67 . 1 1 7 7 PHE CE1 C 13 131.2 0.5 . 1 . . . . 7 PHE CE1 . 16084 1 68 . 1 1 7 7 PHE CZ C 13 129.5 0.5 . 1 . . . . 7 PHE CZ . 16084 1 69 . 1 1 7 7 PHE N N 15 117.2 0.5 . 1 . . . . 7 PHE N . 16084 1 70 . 1 1 8 8 THR H H 1 7.83 0.02 . 1 . . . . 8 THR HN . 16084 1 71 . 1 1 8 8 THR HA H 1 3.71 0.02 . 1 . . . . 8 THR HA . 16084 1 72 . 1 1 8 8 THR HB H 1 4.25 0.02 . 1 . . . . 8 THR HB . 16084 1 73 . 1 1 8 8 THR HG21 H 1 1.19 0.02 . 1 . . . . 8 THR HG2 . 16084 1 74 . 1 1 8 8 THR HG22 H 1 1.19 0.02 . 1 . . . . 8 THR HG2 . 16084 1 75 . 1 1 8 8 THR HG23 H 1 1.19 0.02 . 1 . . . . 8 THR HG2 . 16084 1 76 . 1 1 8 8 THR CA C 13 66.2 0.5 . 1 . . . . 8 THR CA . 16084 1 77 . 1 1 8 8 THR CB C 13 68.3 0.5 . 1 . . . . 8 THR CB . 16084 1 78 . 1 1 8 8 THR CG2 C 13 21.8 0.5 . 1 . . . . 8 THR CG2 . 16084 1 79 . 1 1 8 8 THR N N 15 115.7 0.5 . 1 . . . . 8 THR N . 16084 1 80 . 1 1 9 9 ARG H H 1 7.30 0.02 . 1 . . . . 9 ARG HN . 16084 1 81 . 1 1 9 9 ARG HA H 1 3.84 0.02 . 1 . . . . 9 ARG HA . 16084 1 82 . 1 1 9 9 ARG HB2 H 1 1.69 0.02 . 2 . . . . 9 ARG HB2 . 16084 1 83 . 1 1 9 9 ARG HB3 H 1 1.83 0.02 . 2 . . . . 9 ARG HB3 . 16084 1 84 . 1 1 9 9 ARG HD2 H 1 3.04 0.02 . 2 . . . . 9 ARG HD2 . 16084 1 85 . 1 1 9 9 ARG HD3 H 1 3.19 0.02 . 2 . . . . 9 ARG HD3 . 16084 1 86 . 1 1 9 9 ARG HE H 1 6.71 0.02 . 1 . . . . 9 ARG HE . 16084 1 87 . 1 1 9 9 ARG HG2 H 1 1.58 0.02 . 2 . . . . 9 ARG HG2 . 16084 1 88 . 1 1 9 9 ARG HG3 H 1 1.65 0.02 . 2 . . . . 9 ARG HG3 . 16084 1 89 . 1 1 9 9 ARG CA C 13 59.7 0.5 . 1 . . . . 9 ARG CA . 16084 1 90 . 1 1 9 9 ARG CB C 13 30.4 0.5 . 1 . . . . 9 ARG CB . 16084 1 91 . 1 1 9 9 ARG CD C 13 43.7 0.5 . 1 . . . . 9 ARG CD . 16084 1 92 . 1 1 9 9 ARG CG C 13 28.0 0.5 . 1 . . . . 9 ARG CG . 16084 1 93 . 1 1 9 9 ARG N N 15 121.4 0.5 . 1 . . . . 9 ARG N . 16084 1 94 . 1 1 9 9 ARG NE N 15 85.1 0.5 . 1 . . . . 9 ARG NE . 16084 1 95 . 1 1 10 10 TYR H H 1 8.48 0.02 . 1 . . . . 10 TYR HN . 16084 1 96 . 1 1 10 10 TYR HA H 1 3.80 0.02 . 1 . . . . 10 TYR HA . 16084 1 97 . 1 1 10 10 TYR HB2 H 1 2.95 0.02 . 2 . . . . 10 TYR HB2 . 16084 1 98 . 1 1 10 10 TYR HB3 H 1 3.13 0.02 . 2 . . . . 10 TYR HB3 . 16084 1 99 . 1 1 10 10 TYR HD1 H 1 7.05 0.02 . 3 . . . . 10 TYR HD1 . 16084 1 100 . 1 1 10 10 TYR HD2 H 1 7.05 0.02 . 3 . . . . 10 TYR HD2 . 16084 1 101 . 1 1 10 10 TYR HE1 H 1 6.78 0.02 . 3 . . . . 10 TYR HE1 . 16084 1 102 . 1 1 10 10 TYR HE2 H 1 6.78 0.02 . 3 . . . . 10 TYR HE2 . 16084 1 103 . 1 1 10 10 TYR CA C 13 61.4 0.5 . 1 . . . . 10 TYR CA . 16084 1 104 . 1 1 10 10 TYR CB C 13 38.3 0.5 . 1 . . . . 10 TYR CB . 16084 1 105 . 1 1 10 10 TYR CD1 C 13 133.3 0.5 . 1 . . . . 10 TYR CD1 . 16084 1 106 . 1 1 10 10 TYR CE1 C 13 117.9 0.5 . 1 . . . . 10 TYR CE1 . 16084 1 107 . 1 1 10 10 TYR N N 15 121.7 0.5 . 1 . . . . 10 TYR N . 16084 1 108 . 1 1 11 11 ALA H H 1 8.50 0.02 . 1 . . . . 11 ALA HN . 16084 1 109 . 1 1 11 11 ALA HA H 1 3.70 0.02 . 1 . . . . 11 ALA HA . 16084 1 110 . 1 1 11 11 ALA HB1 H 1 1.14 0.02 . 1 . . . . 11 ALA HB . 16084 1 111 . 1 1 11 11 ALA HB2 H 1 1.14 0.02 . 1 . . . . 11 ALA HB . 16084 1 112 . 1 1 11 11 ALA HB3 H 1 1.14 0.02 . 1 . . . . 11 ALA HB . 16084 1 113 . 1 1 11 11 ALA CA C 13 54.4 0.5 . 1 . . . . 11 ALA CA . 16084 1 114 . 1 1 11 11 ALA CB C 13 17.3 0.5 . 1 . . . . 11 ALA CB . 16084 1 115 . 1 1 11 11 ALA N N 15 121.7 0.5 . 1 . . . . 11 ALA N . 16084 1 116 . 1 1 12 12 LEU H H 1 7.69 0.02 . 1 . . . . 12 LEU HN . 16084 1 117 . 1 1 12 12 LEU HA H 1 3.92 0.02 . 1 . . . . 12 LEU HA . 16084 1 118 . 1 1 12 12 LEU HB2 H 1 1.61 0.02 . 2 . . . . 12 LEU HB2 . 16084 1 119 . 1 1 12 12 LEU HB3 H 1 1.62 0.02 . 2 . . . . 12 LEU HB3 . 16084 1 120 . 1 1 12 12 LEU HD11 H 1 0.73 0.02 . 2 . . . . 12 LEU HD1 . 16084 1 121 . 1 1 12 12 LEU HD12 H 1 0.73 0.02 . 2 . . . . 12 LEU HD1 . 16084 1 122 . 1 1 12 12 LEU HD13 H 1 0.73 0.02 . 2 . . . . 12 LEU HD1 . 16084 1 123 . 1 1 12 12 LEU HD21 H 1 0.83 0.02 . 2 . . . . 12 LEU HD2 . 16084 1 124 . 1 1 12 12 LEU HD22 H 1 0.83 0.02 . 2 . . . . 12 LEU HD2 . 16084 1 125 . 1 1 12 12 LEU HD23 H 1 0.83 0.02 . 2 . . . . 12 LEU HD2 . 16084 1 126 . 1 1 12 12 LEU HG H 1 1.42 0.02 . 1 . . . . 12 LEU HG . 16084 1 127 . 1 1 12 12 LEU CA C 13 57.1 0.5 . 1 . . . . 12 LEU CA . 16084 1 128 . 1 1 12 12 LEU CB C 13 41.5 0.5 . 1 . . . . 12 LEU CB . 16084 1 129 . 1 1 12 12 LEU CD1 C 13 23.3 0.5 . 1 . . . . 12 LEU CD1 . 16084 1 130 . 1 1 12 12 LEU CD2 C 13 24.5 0.5 . 1 . . . . 12 LEU CD2 . 16084 1 131 . 1 1 12 12 LEU CG C 13 26.4 0.5 . 1 . . . . 12 LEU CG . 16084 1 132 . 1 1 12 12 LEU N N 15 120.9 0.5 . 1 . . . . 12 LEU N . 16084 1 133 . 1 1 13 13 ALA H H 1 8.01 0.02 . 1 . . . . 13 ALA HN . 16084 1 134 . 1 1 13 13 ALA HA H 1 3.50 0.02 . 1 . . . . 13 ALA HA . 16084 1 135 . 1 1 13 13 ALA HB1 H 1 0.55 0.02 . 1 . . . . 13 ALA HB . 16084 1 136 . 1 1 13 13 ALA HB2 H 1 0.55 0.02 . 1 . . . . 13 ALA HB . 16084 1 137 . 1 1 13 13 ALA HB3 H 1 0.55 0.02 . 1 . . . . 13 ALA HB . 16084 1 138 . 1 1 13 13 ALA CA C 13 55.4 0.5 . 1 . . . . 13 ALA CA . 16084 1 139 . 1 1 13 13 ALA CB C 13 17.4 0.5 . 1 . . . . 13 ALA CB . 16084 1 140 . 1 1 13 13 ALA N N 15 123.0 0.5 . 1 . . . . 13 ALA N . 16084 1 141 . 1 1 14 14 GLN H H 1 7.66 0.02 . 1 . . . . 14 GLN HN . 16084 1 142 . 1 1 14 14 GLN HA H 1 3.91 0.02 . 1 . . . . 14 GLN HA . 16084 1 143 . 1 1 14 14 GLN HB2 H 1 1.86 0.02 . 2 . . . . 14 GLN HB2 . 16084 1 144 . 1 1 14 14 GLN HB3 H 1 1.89 0.02 . 2 . . . . 14 GLN HB3 . 16084 1 145 . 1 1 14 14 GLN HE21 H 1 5.54 0.02 . 2 . . . . 14 GLN HE21 . 16084 1 146 . 1 1 14 14 GLN HE22 H 1 5.21 0.02 . 2 . . . . 14 GLN HE22 . 16084 1 147 . 1 1 14 14 GLN HG2 H 1 1.75 0.02 . 2 . . . . 14 GLN HG2 . 16084 1 148 . 1 1 14 14 GLN HG3 H 1 2.01 0.02 . 2 . . . . 14 GLN HG3 . 16084 1 149 . 1 1 14 14 GLN CA C 13 58.2 0.5 . 1 . . . . 14 GLN CA . 16084 1 150 . 1 1 14 14 GLN CB C 13 27.7 0.5 . 1 . . . . 14 GLN CB . 16084 1 151 . 1 1 14 14 GLN CG C 13 32.2 0.5 . 1 . . . . 14 GLN CG . 16084 1 152 . 1 1 14 14 GLN N N 15 114.0 0.5 . 1 . . . . 14 GLN N . 16084 1 153 . 1 1 14 14 GLN NE2 N 15 105.5 0.5 . 1 . . . . 14 GLN NE2 . 16084 1 154 . 1 1 15 15 GLU H H 1 7.90 0.02 . 1 . . . . 15 GLU HN . 16084 1 155 . 1 1 15 15 GLU HA H 1 3.90 0.02 . 1 . . . . 15 GLU HA . 16084 1 156 . 1 1 15 15 GLU HB2 H 1 1.96 0.02 . 2 . . . . 15 GLU HB2 . 16084 1 157 . 1 1 15 15 GLU HB3 H 1 1.96 0.02 . 2 . . . . 15 GLU HB3 . 16084 1 158 . 1 1 15 15 GLU HG2 H 1 2.10 0.02 . 2 . . . . 15 GLU HG2 . 16084 1 159 . 1 1 15 15 GLU HG3 H 1 2.10 0.02 . 2 . . . . 15 GLU HG3 . 16084 1 160 . 1 1 15 15 GLU CA C 13 58.8 0.5 . 1 . . . . 15 GLU CA . 16084 1 161 . 1 1 15 15 GLU CB C 13 28.6 0.5 . 1 . . . . 15 GLU CB . 16084 1 162 . 1 1 15 15 GLU CG C 13 35.5 0.5 . 1 . . . . 15 GLU CG . 16084 1 163 . 1 1 15 15 GLU N N 15 122.4 0.5 . 1 . . . . 15 GLU N . 16084 1 164 . 1 1 16 16 HIS H H 1 8.22 0.02 . 1 . . . . 16 HIS HN . 16084 1 165 . 1 1 16 16 HIS HA H 1 4.52 0.02 . 1 . . . . 16 HIS HA . 16084 1 166 . 1 1 16 16 HIS HB2 H 1 2.97 0.02 . 2 . . . . 16 HIS HB2 . 16084 1 167 . 1 1 16 16 HIS HB3 H 1 3.21 0.02 . 2 . . . . 16 HIS HB3 . 16084 1 168 . 1 1 16 16 HIS HD2 H 1 6.41 0.02 . 1 . . . . 16 HIS HD2 . 16084 1 169 . 1 1 16 16 HIS HE1 H 1 7.64 0.02 . 1 . . . . 16 HIS HE1 . 16084 1 170 . 1 1 16 16 HIS CA C 13 59.7 0.5 . 1 . . . . 16 HIS CA . 16084 1 171 . 1 1 16 16 HIS CB C 13 29.6 0.5 . 1 . . . . 16 HIS CB . 16084 1 172 . 1 1 16 16 HIS CD2 C 13 118.6 0.5 . 1 . . . . 16 HIS CD2 . 16084 1 173 . 1 1 16 16 HIS CE1 C 13 139.2 0.5 . 1 . . . . 16 HIS CE1 . 16084 1 174 . 1 1 16 16 HIS N N 15 119.1 0.5 . 1 . . . . 16 HIS N . 16084 1 175 . 1 1 17 17 LEU H H 1 8.09 0.02 . 1 . . . . 17 LEU HN . 16084 1 176 . 1 1 17 17 LEU HA H 1 3.87 0.02 . 1 . . . . 17 LEU HA . 16084 1 177 . 1 1 17 17 LEU HB2 H 1 1.72 0.02 . 2 . . . . 17 LEU HB2 . 16084 1 178 . 1 1 17 17 LEU HB3 H 1 1.72 0.02 . 2 . . . . 17 LEU HB3 . 16084 1 179 . 1 1 17 17 LEU HD11 H 1 0.97 0.02 . 2 . . . . 17 LEU HD1 . 16084 1 180 . 1 1 17 17 LEU HD12 H 1 0.97 0.02 . 2 . . . . 17 LEU HD1 . 16084 1 181 . 1 1 17 17 LEU HD13 H 1 0.97 0.02 . 2 . . . . 17 LEU HD1 . 16084 1 182 . 1 1 17 17 LEU HD21 H 1 0.92 0.02 . 2 . . . . 17 LEU HD2 . 16084 1 183 . 1 1 17 17 LEU HD22 H 1 0.92 0.02 . 2 . . . . 17 LEU HD2 . 16084 1 184 . 1 1 17 17 LEU HD23 H 1 0.92 0.02 . 2 . . . . 17 LEU HD2 . 16084 1 185 . 1 1 17 17 LEU HG H 1 1.65 0.02 . 1 . . . . 17 LEU HG . 16084 1 186 . 1 1 17 17 LEU CA C 13 57.9 0.5 . 1 . . . . 17 LEU CA . 16084 1 187 . 1 1 17 17 LEU CB C 13 41.4 0.5 . 1 . . . . 17 LEU CB . 16084 1 188 . 1 1 17 17 LEU CD1 C 13 24.9 0.5 . 1 . . . . 17 LEU CD1 . 16084 1 189 . 1 1 17 17 LEU CD2 C 13 24.4 0.5 . 1 . . . . 17 LEU CD2 . 16084 1 190 . 1 1 17 17 LEU CG C 13 26.5 0.5 . 1 . . . . 17 LEU CG . 16084 1 191 . 1 1 17 17 LEU N N 15 120.5 0.5 . 1 . . . . 17 LEU N . 16084 1 192 . 1 1 18 18 LYS H H 1 7.96 0.02 . 1 . . . . 18 LYS HN . 16084 1 193 . 1 1 18 18 LYS HA H 1 4.03 0.02 . 1 . . . . 18 LYS HA . 16084 1 194 . 1 1 18 18 LYS HB2 H 1 1.77 0.02 . 2 . . . . 18 LYS HB2 . 16084 1 195 . 1 1 18 18 LYS HB3 H 1 1.77 0.02 . 2 . . . . 18 LYS HB3 . 16084 1 196 . 1 1 18 18 LYS HD2 H 1 1.56 0.02 . 2 . . . . 18 LYS HD2 . 16084 1 197 . 1 1 18 18 LYS HD3 H 1 1.58 0.02 . 2 . . . . 18 LYS HD3 . 16084 1 198 . 1 1 18 18 LYS HE2 H 1 2.85 0.02 . 2 . . . . 18 LYS HE2 . 16084 1 199 . 1 1 18 18 LYS HE3 H 1 2.84 0.02 . 2 . . . . 18 LYS HE3 . 16084 1 200 . 1 1 18 18 LYS HG2 H 1 1.26 0.02 . 2 . . . . 18 LYS HG2 . 16084 1 201 . 1 1 18 18 LYS HG3 H 1 1.45 0.02 . 2 . . . . 18 LYS HG3 . 16084 1 202 . 1 1 18 18 LYS CA C 13 58.4 0.5 . 1 . . . . 18 LYS CA . 16084 1 203 . 1 1 18 18 LYS CB C 13 31.8 0.5 . 1 . . . . 18 LYS CB . 16084 1 204 . 1 1 18 18 LYS CD C 13 28.9 0.5 . 1 . . . . 18 LYS CD . 16084 1 205 . 1 1 18 18 LYS CE C 13 41.8 0.5 . 1 . . . . 18 LYS CE . 16084 1 206 . 1 1 18 18 LYS CG C 13 24.7 0.5 . 1 . . . . 18 LYS CG . 16084 1 207 . 1 1 18 18 LYS N N 15 121.0 0.5 . 1 . . . . 18 LYS N . 16084 1 208 . 1 1 19 19 HIS H H 1 7.41 0.02 . 1 . . . . 19 HIS HN . 16084 1 209 . 1 1 19 19 HIS HA H 1 4.72 0.02 . 1 . . . . 19 HIS HA . 16084 1 210 . 1 1 19 19 HIS HB2 H 1 3.04 0.02 . 2 . . . . 19 HIS HB2 . 16084 1 211 . 1 1 19 19 HIS HB3 H 1 3.58 0.02 . 2 . . . . 19 HIS HB3 . 16084 1 212 . 1 1 19 19 HIS HD2 H 1 7.24 0.02 . 1 . . . . 19 HIS HD2 . 16084 1 213 . 1 1 19 19 HIS CA C 13 54.7 0.5 . 1 . . . . 19 HIS CA . 16084 1 214 . 1 1 19 19 HIS CB C 13 28.5 0.5 . 1 . . . . 19 HIS CB . 16084 1 215 . 1 1 19 19 HIS CD2 C 13 120.0 0.5 . 1 . . . . 19 HIS CD2 . 16084 1 216 . 1 1 19 19 HIS N N 15 115.8 0.5 . 1 . . . . 19 HIS N . 16084 1 217 . 1 1 20 20 ASP H H 1 8.01 0.02 . 1 . . . . 20 ASP HN . 16084 1 218 . 1 1 20 20 ASP HA H 1 4.37 0.02 . 1 . . . . 20 ASP HA . 16084 1 219 . 1 1 20 20 ASP HB2 H 1 2.61 0.02 . 2 . . . . 20 ASP HB2 . 16084 1 220 . 1 1 20 20 ASP HB3 H 1 3.14 0.02 . 2 . . . . 20 ASP HB3 . 16084 1 221 . 1 1 20 20 ASP CA C 13 55.6 0.5 . 1 . . . . 20 ASP CA . 16084 1 222 . 1 1 20 20 ASP CB C 13 39.6 0.5 . 1 . . . . 20 ASP CB . 16084 1 223 . 1 1 20 20 ASP N N 15 115.9 0.5 . 1 . . . . 20 ASP N . 16084 1 224 . 1 1 21 21 ASN H H 1 8.45 0.02 . 1 . . . . 21 ASN HN . 16084 1 225 . 1 1 21 21 ASN HA H 1 5.13 0.02 . 1 . . . . 21 ASN HA . 16084 1 226 . 1 1 21 21 ASN HB2 H 1 2.65 0.02 . 2 . . . . 21 ASN HB2 . 16084 1 227 . 1 1 21 21 ASN HB3 H 1 3.06 0.02 . 2 . . . . 21 ASN HB3 . 16084 1 228 . 1 1 21 21 ASN HD21 H 1 6.78 0.02 . 2 . . . . 21 ASN HD21 . 16084 1 229 . 1 1 21 21 ASN HD22 H 1 7.82 0.02 . 2 . . . . 21 ASN HD22 . 16084 1 230 . 1 1 21 21 ASN CA C 13 50.6 0.5 . 1 . . . . 21 ASN CA . 16084 1 231 . 1 1 21 21 ASN CB C 13 37.0 0.5 . 1 . . . . 21 ASN CB . 16084 1 232 . 1 1 21 21 ASN N N 15 118.7 0.5 . 1 . . . . 21 ASN N . 16084 1 233 . 1 1 21 21 ASN ND2 N 15 112.2 0.5 . 1 . . . . 21 ASN ND2 . 16084 1 234 . 1 1 22 22 ALA H H 1 8.01 0.02 . 1 . . . . 22 ALA HN . 16084 1 235 . 1 1 22 22 ALA HA H 1 3.84 0.02 . 1 . . . . 22 ALA HA . 16084 1 236 . 1 1 22 22 ALA HB1 H 1 1.41 0.02 . 1 . . . . 22 ALA HB . 16084 1 237 . 1 1 22 22 ALA HB2 H 1 1.41 0.02 . 1 . . . . 22 ALA HB . 16084 1 238 . 1 1 22 22 ALA HB3 H 1 1.41 0.02 . 1 . . . . 22 ALA HB . 16084 1 239 . 1 1 22 22 ALA CA C 13 55.3 0.5 . 1 . . . . 22 ALA CA . 16084 1 240 . 1 1 22 22 ALA CB C 13 18.3 0.5 . 1 . . . . 22 ALA CB . 16084 1 241 . 1 1 22 22 ALA N N 15 123.3 0.5 . 1 . . . . 22 ALA N . 16084 1 242 . 1 1 23 23 SER H H 1 8.67 0.02 . 1 . . . . 23 SER HN . 16084 1 243 . 1 1 23 23 SER HA H 1 4.07 0.02 . 1 . . . . 23 SER HA . 16084 1 244 . 1 1 23 23 SER HB2 H 1 3.89 0.02 . 2 . . . . 23 SER HB2 . 16084 1 245 . 1 1 23 23 SER HB3 H 1 3.87 0.02 . 2 . . . . 23 SER HB3 . 16084 1 246 . 1 1 23 23 SER CA C 13 61.8 0.5 . 1 . . . . 23 SER CA . 16084 1 247 . 1 1 23 23 SER CB C 13 61.9 0.5 . 1 . . . . 23 SER CB . 16084 1 248 . 1 1 23 23 SER N N 15 112.5 0.5 . 1 . . . . 23 SER N . 16084 1 249 . 1 1 24 24 ARG H H 1 7.23 0.02 . 1 . . . . 24 ARG HN . 16084 1 250 . 1 1 24 24 ARG HA H 1 3.96 0.02 . 1 . . . . 24 ARG HA . 16084 1 251 . 1 1 24 24 ARG HB2 H 1 0.90 0.02 . 2 . . . . 24 ARG HB2 . 16084 1 252 . 1 1 24 24 ARG HB3 H 1 1.13 0.02 . 2 . . . . 24 ARG HB3 . 16084 1 253 . 1 1 24 24 ARG HD2 H 1 2.79 0.02 . 2 . . . . 24 ARG HD2 . 16084 1 254 . 1 1 24 24 ARG HD3 H 1 2.93 0.02 . 2 . . . . 24 ARG HD3 . 16084 1 255 . 1 1 24 24 ARG HG2 H 1 1.03 0.02 . 2 . . . . 24 ARG HG2 . 16084 1 256 . 1 1 24 24 ARG HG3 H 1 1.16 0.02 . 2 . . . . 24 ARG HG3 . 16084 1 257 . 1 1 24 24 ARG CA C 13 57.0 0.5 . 1 . . . . 24 ARG CA . 16084 1 258 . 1 1 24 24 ARG CB C 13 29.1 0.5 . 1 . . . . 24 ARG CB . 16084 1 259 . 1 1 24 24 ARG CD C 13 42.2 0.5 . 1 . . . . 24 ARG CD . 16084 1 260 . 1 1 24 24 ARG CG C 13 25.9 0.5 . 1 . . . . 24 ARG CG . 16084 1 261 . 1 1 24 24 ARG N N 15 122.3 0.5 . 1 . . . . 24 ARG N . 16084 1 262 . 1 1 25 25 ALA H H 1 7.34 0.02 . 1 . . . . 25 ALA HN . 16084 1 263 . 1 1 25 25 ALA HA H 1 3.57 0.02 . 1 . . . . 25 ALA HA . 16084 1 264 . 1 1 25 25 ALA HB1 H 1 1.25 0.02 . 1 . . . . 25 ALA HB . 16084 1 265 . 1 1 25 25 ALA HB2 H 1 1.25 0.02 . 1 . . . . 25 ALA HB . 16084 1 266 . 1 1 25 25 ALA HB3 H 1 1.25 0.02 . 1 . . . . 25 ALA HB . 16084 1 267 . 1 1 25 25 ALA CA C 13 55.3 0.5 . 1 . . . . 25 ALA CA . 16084 1 268 . 1 1 25 25 ALA CB C 13 18.7 0.5 . 1 . . . . 25 ALA CB . 16084 1 269 . 1 1 25 25 ALA N N 15 120.2 0.5 . 1 . . . . 25 ALA N . 16084 1 270 . 1 1 26 26 LEU H H 1 8.42 0.02 . 1 . . . . 26 LEU HN . 16084 1 271 . 1 1 26 26 LEU HA H 1 3.80 0.02 . 1 . . . . 26 LEU HA . 16084 1 272 . 1 1 26 26 LEU HB2 H 1 1.47 0.02 . 2 . . . . 26 LEU HB2 . 16084 1 273 . 1 1 26 26 LEU HB3 H 1 1.86 0.02 . 2 . . . . 26 LEU HB3 . 16084 1 274 . 1 1 26 26 LEU HD11 H 1 0.66 0.02 . 2 . . . . 26 LEU HD1 . 16084 1 275 . 1 1 26 26 LEU HD12 H 1 0.66 0.02 . 2 . . . . 26 LEU HD1 . 16084 1 276 . 1 1 26 26 LEU HD13 H 1 0.66 0.02 . 2 . . . . 26 LEU HD1 . 16084 1 277 . 1 1 26 26 LEU HD21 H 1 0.87 0.02 . 2 . . . . 26 LEU HD2 . 16084 1 278 . 1 1 26 26 LEU HD22 H 1 0.87 0.02 . 2 . . . . 26 LEU HD2 . 16084 1 279 . 1 1 26 26 LEU HD23 H 1 0.87 0.02 . 2 . . . . 26 LEU HD2 . 16084 1 280 . 1 1 26 26 LEU HG H 1 1.37 0.02 . 1 . . . . 26 LEU HG . 16084 1 281 . 1 1 26 26 LEU CA C 13 58.3 0.5 . 1 . . . . 26 LEU CA . 16084 1 282 . 1 1 26 26 LEU CB C 13 41.8 0.5 . 1 . . . . 26 LEU CB . 16084 1 283 . 1 1 26 26 LEU CD1 C 13 24.3 0.5 . 1 . . . . 26 LEU CD1 . 16084 1 284 . 1 1 26 26 LEU CD2 C 13 25.5 0.5 . 1 . . . . 26 LEU CD2 . 16084 1 285 . 1 1 26 26 LEU CG C 13 26.4 0.5 . 1 . . . . 26 LEU CG . 16084 1 286 . 1 1 26 26 LEU N N 15 116.5 0.5 . 1 . . . . 26 LEU N . 16084 1 287 . 1 1 27 27 ALA H H 1 7.19 0.02 . 1 . . . . 27 ALA HN . 16084 1 288 . 1 1 27 27 ALA HA H 1 4.12 0.02 . 1 . . . . 27 ALA HA . 16084 1 289 . 1 1 27 27 ALA HB1 H 1 1.41 0.02 . 1 . . . . 27 ALA HB . 16084 1 290 . 1 1 27 27 ALA HB2 H 1 1.41 0.02 . 1 . . . . 27 ALA HB . 16084 1 291 . 1 1 27 27 ALA HB3 H 1 1.41 0.02 . 1 . . . . 27 ALA HB . 16084 1 292 . 1 1 27 27 ALA CA C 13 54.7 0.5 . 1 . . . . 27 ALA CA . 16084 1 293 . 1 1 27 27 ALA CB C 13 18.0 0.5 . 1 . . . . 27 ALA CB . 16084 1 294 . 1 1 27 27 ALA N N 15 118.2 0.5 . 1 . . . . 27 ALA N . 16084 1 295 . 1 1 28 28 LEU H H 1 7.50 0.02 . 1 . . . . 28 LEU HN . 16084 1 296 . 1 1 28 28 LEU HA H 1 4.07 0.02 . 1 . . . . 28 LEU HA . 16084 1 297 . 1 1 28 28 LEU HB2 H 1 1.67 0.02 . 2 . . . . 28 LEU HB2 . 16084 1 298 . 1 1 28 28 LEU HB3 H 1 1.11 0.02 . 2 . . . . 28 LEU HB3 . 16084 1 299 . 1 1 28 28 LEU HD11 H 1 0.74 0.02 . 2 . . . . 28 LEU HD1 . 16084 1 300 . 1 1 28 28 LEU HD12 H 1 0.74 0.02 . 2 . . . . 28 LEU HD1 . 16084 1 301 . 1 1 28 28 LEU HD13 H 1 0.74 0.02 . 2 . . . . 28 LEU HD1 . 16084 1 302 . 1 1 28 28 LEU HD21 H 1 0.86 0.02 . 2 . . . . 28 LEU HD2 . 16084 1 303 . 1 1 28 28 LEU HD22 H 1 0.86 0.02 . 2 . . . . 28 LEU HD2 . 16084 1 304 . 1 1 28 28 LEU HD23 H 1 0.86 0.02 . 2 . . . . 28 LEU HD2 . 16084 1 305 . 1 1 28 28 LEU HG H 1 1.63 0.02 . 1 . . . . 28 LEU HG . 16084 1 306 . 1 1 28 28 LEU CA C 13 57.6 0.5 . 1 . . . . 28 LEU CA . 16084 1 307 . 1 1 28 28 LEU CB C 13 43.1 0.5 . 1 . . . . 28 LEU CB . 16084 1 308 . 1 1 28 28 LEU CD1 C 13 26.1 0.5 . 1 . . . . 28 LEU CD1 . 16084 1 309 . 1 1 28 28 LEU CD2 C 13 23.1 0.5 . 1 . . . . 28 LEU CD2 . 16084 1 310 . 1 1 28 28 LEU CG C 13 27.0 0.5 . 1 . . . . 28 LEU CG . 16084 1 311 . 1 1 28 28 LEU N N 15 118.3 0.5 . 1 . . . . 28 LEU N . 16084 1 312 . 1 1 29 29 PHE H H 1 8.69 0.02 . 1 . . . . 29 PHE HN . 16084 1 313 . 1 1 29 29 PHE HA H 1 4.63 0.02 . 1 . . . . 29 PHE HA . 16084 1 314 . 1 1 29 29 PHE HB2 H 1 3.03 0.02 . 2 . . . . 29 PHE HB2 . 16084 1 315 . 1 1 29 29 PHE HB3 H 1 3.08 0.02 . 2 . . . . 29 PHE HB3 . 16084 1 316 . 1 1 29 29 PHE HD1 H 1 7.00 0.02 . 3 . . . . 29 PHE HD1 . 16084 1 317 . 1 1 29 29 PHE HD2 H 1 7.00 0.02 . 3 . . . . 29 PHE HD2 . 16084 1 318 . 1 1 29 29 PHE HE1 H 1 7.01 0.02 . 3 . . . . 29 PHE HE1 . 16084 1 319 . 1 1 29 29 PHE HE2 H 1 7.01 0.02 . 3 . . . . 29 PHE HE2 . 16084 1 320 . 1 1 29 29 PHE HZ H 1 6.72 0.02 . 1 . . . . 29 PHE HZ . 16084 1 321 . 1 1 29 29 PHE CA C 13 58.7 0.5 . 1 . . . . 29 PHE CA . 16084 1 322 . 1 1 29 29 PHE CB C 13 40.3 0.5 . 1 . . . . 29 PHE CB . 16084 1 323 . 1 1 29 29 PHE CD1 C 13 130.0 0.5 . 1 . . . . 29 PHE CD1 . 16084 1 324 . 1 1 29 29 PHE CE1 C 13 130.7 0.5 . 1 . . . . 29 PHE CE1 . 16084 1 325 . 1 1 29 29 PHE CZ C 13 128.8 0.5 . 1 . . . . 29 PHE CZ . 16084 1 326 . 1 1 29 29 PHE N N 15 119.0 0.5 . 1 . . . . 29 PHE N . 16084 1 327 . 1 1 30 30 GLU H H 1 8.99 0.02 . 1 . . . . 30 GLU HN . 16084 1 328 . 1 1 30 30 GLU HA H 1 3.79 0.02 . 1 . . . . 30 GLU HA . 16084 1 329 . 1 1 30 30 GLU HB2 H 1 1.88 0.02 . 2 . . . . 30 GLU HB2 . 16084 1 330 . 1 1 30 30 GLU HB3 H 1 2.17 0.02 . 2 . . . . 30 GLU HB3 . 16084 1 331 . 1 1 30 30 GLU HG2 H 1 2.18 0.02 . 2 . . . . 30 GLU HG2 . 16084 1 332 . 1 1 30 30 GLU HG3 H 1 2.67 0.02 . 2 . . . . 30 GLU HG3 . 16084 1 333 . 1 1 30 30 GLU CA C 13 60.1 0.5 . 1 . . . . 30 GLU CA . 16084 1 334 . 1 1 30 30 GLU CB C 13 29.1 0.5 . 1 . . . . 30 GLU CB . 16084 1 335 . 1 1 30 30 GLU CG C 13 37.9 0.5 . 1 . . . . 30 GLU CG . 16084 1 336 . 1 1 30 30 GLU N N 15 117.4 0.5 . 1 . . . . 30 GLU N . 16084 1 337 . 1 1 31 31 GLU H H 1 7.83 0.02 . 1 . . . . 31 GLU HN . 16084 1 338 . 1 1 31 31 GLU HA H 1 4.16 0.02 . 1 . . . . 31 GLU HA . 16084 1 339 . 1 1 31 31 GLU HB2 H 1 2.13 0.02 . 2 . . . . 31 GLU HB2 . 16084 1 340 . 1 1 31 31 GLU HB3 H 1 2.21 0.02 . 2 . . . . 31 GLU HB3 . 16084 1 341 . 1 1 31 31 GLU HG2 H 1 2.36 0.02 . 2 . . . . 31 GLU HG2 . 16084 1 342 . 1 1 31 31 GLU HG3 H 1 2.36 0.02 . 2 . . . . 31 GLU HG3 . 16084 1 343 . 1 1 31 31 GLU CA C 13 58.8 0.5 . 1 . . . . 31 GLU CA . 16084 1 344 . 1 1 31 31 GLU CB C 13 29.9 0.5 . 1 . . . . 31 GLU CB . 16084 1 345 . 1 1 31 31 GLU CG C 13 36.6 0.5 . 1 . . . . 31 GLU CG . 16084 1 346 . 1 1 31 31 GLU N N 15 119.5 0.5 . 1 . . . . 31 GLU N . 16084 1 347 . 1 1 32 32 LEU H H 1 7.92 0.02 . 1 . . . . 32 LEU HN . 16084 1 348 . 1 1 32 32 LEU HA H 1 4.13 0.02 . 1 . . . . 32 LEU HA . 16084 1 349 . 1 1 32 32 LEU HB2 H 1 1.63 0.02 . 2 . . . . 32 LEU HB2 . 16084 1 350 . 1 1 32 32 LEU HB3 H 1 2.28 0.02 . 2 . . . . 32 LEU HB3 . 16084 1 351 . 1 1 32 32 LEU HD11 H 1 0.99 0.02 . 2 . . . . 32 LEU HD1 . 16084 1 352 . 1 1 32 32 LEU HD12 H 1 0.99 0.02 . 2 . . . . 32 LEU HD1 . 16084 1 353 . 1 1 32 32 LEU HD13 H 1 0.99 0.02 . 2 . . . . 32 LEU HD1 . 16084 1 354 . 1 1 32 32 LEU HD21 H 1 0.88 0.02 . 2 . . . . 32 LEU HD2 . 16084 1 355 . 1 1 32 32 LEU HD22 H 1 0.88 0.02 . 2 . . . . 32 LEU HD2 . 16084 1 356 . 1 1 32 32 LEU HD23 H 1 0.88 0.02 . 2 . . . . 32 LEU HD2 . 16084 1 357 . 1 1 32 32 LEU HG H 1 1.66 0.02 . 1 . . . . 32 LEU HG . 16084 1 358 . 1 1 32 32 LEU CA C 13 58.2 0.5 . 1 . . . . 32 LEU CA . 16084 1 359 . 1 1 32 32 LEU CB C 13 43.0 0.5 . 1 . . . . 32 LEU CB . 16084 1 360 . 1 1 32 32 LEU CD1 C 13 24.4 0.5 . 1 . . . . 32 LEU CD1 . 16084 1 361 . 1 1 32 32 LEU CD2 C 13 24.7 0.5 . 1 . . . . 32 LEU CD2 . 16084 1 362 . 1 1 32 32 LEU CG C 13 28.3 0.5 . 1 . . . . 32 LEU CG . 16084 1 363 . 1 1 32 32 LEU N N 15 122.0 0.5 . 1 . . . . 32 LEU N . 16084 1 364 . 1 1 33 33 VAL H H 1 7.46 0.02 . 1 . . . . 33 VAL HN . 16084 1 365 . 1 1 33 33 VAL HA H 1 3.59 0.02 . 1 . . . . 33 VAL HA . 16084 1 366 . 1 1 33 33 VAL HB H 1 2.03 0.02 . 1 . . . . 33 VAL HB . 16084 1 367 . 1 1 33 33 VAL HG11 H 1 0.92 0.02 . 2 . . . . 33 VAL HG1 . 16084 1 368 . 1 1 33 33 VAL HG12 H 1 0.92 0.02 . 2 . . . . 33 VAL HG1 . 16084 1 369 . 1 1 33 33 VAL HG13 H 1 0.92 0.02 . 2 . . . . 33 VAL HG1 . 16084 1 370 . 1 1 33 33 VAL HG21 H 1 0.75 0.02 . 2 . . . . 33 VAL HG2 . 16084 1 371 . 1 1 33 33 VAL HG22 H 1 0.75 0.02 . 2 . . . . 33 VAL HG2 . 16084 1 372 . 1 1 33 33 VAL HG23 H 1 0.75 0.02 . 2 . . . . 33 VAL HG2 . 16084 1 373 . 1 1 33 33 VAL CA C 13 65.8 0.5 . 1 . . . . 33 VAL CA . 16084 1 374 . 1 1 33 33 VAL CB C 13 31.5 0.5 . 1 . . . . 33 VAL CB . 16084 1 375 . 1 1 33 33 VAL CG1 C 13 21.5 0.5 . 1 . . . . 33 VAL CG1 . 16084 1 376 . 1 1 33 33 VAL CG2 C 13 22.1 0.5 . 1 . . . . 33 VAL CG2 . 16084 1 377 . 1 1 33 33 VAL N N 15 116.0 0.5 . 1 . . . . 33 VAL N . 16084 1 378 . 1 1 34 34 GLU H H 1 7.21 0.02 . 1 . . . . 34 GLU HN . 16084 1 379 . 1 1 34 34 GLU HA H 1 4.13 0.02 . 1 . . . . 34 GLU HA . 16084 1 380 . 1 1 34 34 GLU HB2 H 1 2.20 0.02 . 2 . . . . 34 GLU HB2 . 16084 1 381 . 1 1 34 34 GLU HB3 H 1 2.21 0.02 . 2 . . . . 34 GLU HB3 . 16084 1 382 . 1 1 34 34 GLU HG2 H 1 2.21 0.02 . 2 . . . . 34 GLU HG2 . 16084 1 383 . 1 1 34 34 GLU HG3 H 1 2.37 0.02 . 2 . . . . 34 GLU HG3 . 16084 1 384 . 1 1 34 34 GLU CA C 13 58.5 0.5 . 1 . . . . 34 GLU CA . 16084 1 385 . 1 1 34 34 GLU CB C 13 29.9 0.5 . 1 . . . . 34 GLU CB . 16084 1 386 . 1 1 34 34 GLU CG C 13 36.0 0.5 . 1 . . . . 34 GLU CG . 16084 1 387 . 1 1 34 34 GLU N N 15 117.4 0.5 . 1 . . . . 34 GLU N . 16084 1 388 . 1 1 35 35 THR H H 1 9.10 0.02 . 1 . . . . 35 THR HN . 16084 1 389 . 1 1 35 35 THR HA H 1 4.18 0.02 . 1 . . . . 35 THR HA . 16084 1 390 . 1 1 35 35 THR HB H 1 4.31 0.02 . 1 . . . . 35 THR HB . 16084 1 391 . 1 1 35 35 THR HG21 H 1 1.29 0.02 . 1 . . . . 35 THR HG2 . 16084 1 392 . 1 1 35 35 THR HG22 H 1 1.29 0.02 . 1 . . . . 35 THR HG2 . 16084 1 393 . 1 1 35 35 THR HG23 H 1 1.29 0.02 . 1 . . . . 35 THR HG2 . 16084 1 394 . 1 1 35 35 THR CA C 13 63.9 0.5 . 1 . . . . 35 THR CA . 16084 1 395 . 1 1 35 35 THR CB C 13 69.3 0.5 . 1 . . . . 35 THR CB . 16084 1 396 . 1 1 35 35 THR CG2 C 13 20.8 0.5 . 1 . . . . 35 THR CG2 . 16084 1 397 . 1 1 35 35 THR N N 15 109.9 0.5 . 1 . . . . 35 THR N . 16084 1 398 . 1 1 36 36 ASP H H 1 8.63 0.02 . 1 . . . . 36 ASP HN . 16084 1 399 . 1 1 36 36 ASP HA H 1 5.30 0.02 . 1 . . . . 36 ASP HA . 16084 1 400 . 1 1 36 36 ASP HB2 H 1 2.67 0.02 . 2 . . . . 36 ASP HB2 . 16084 1 401 . 1 1 36 36 ASP HB3 H 1 2.52 0.02 . 2 . . . . 36 ASP HB3 . 16084 1 402 . 1 1 36 36 ASP CA C 13 52.7 0.5 . 1 . . . . 36 ASP CA . 16084 1 403 . 1 1 36 36 ASP CB C 13 42.4 0.5 . 1 . . . . 36 ASP CB . 16084 1 404 . 1 1 36 36 ASP N N 15 122.8 0.5 . 1 . . . . 36 ASP N . 16084 1 405 . 1 1 37 37 PRO HA H 1 4.56 0.02 . 1 . . . . 37 PRO HA . 16084 1 406 . 1 1 37 37 PRO HB2 H 1 2.71 0.02 . 2 . . . . 37 PRO HB2 . 16084 1 407 . 1 1 37 37 PRO HB3 H 1 2.03 0.02 . 2 . . . . 37 PRO HB3 . 16084 1 408 . 1 1 37 37 PRO HD2 H 1 3.34 0.02 . 2 . . . . 37 PRO HD2 . 16084 1 409 . 1 1 37 37 PRO HD3 H 1 3.67 0.02 . 2 . . . . 37 PRO HD3 . 16084 1 410 . 1 1 37 37 PRO HG2 H 1 2.09 0.02 . 2 . . . . 37 PRO HG2 . 16084 1 411 . 1 1 37 37 PRO HG3 H 1 1.94 0.02 . 2 . . . . 37 PRO HG3 . 16084 1 412 . 1 1 37 37 PRO CA C 13 64.4 0.5 . 1 . . . . 37 PRO CA . 16084 1 413 . 1 1 37 37 PRO CB C 13 31.1 0.5 . 1 . . . . 37 PRO CB . 16084 1 414 . 1 1 37 37 PRO CD C 13 50.4 0.5 . 1 . . . . 37 PRO CD . 16084 1 415 . 1 1 37 37 PRO CG C 13 27.1 0.5 . 1 . . . . 37 PRO CG . 16084 1 416 . 1 1 38 38 ASP H H 1 8.63 0.02 . 1 . . . . 38 ASP HN . 16084 1 417 . 1 1 38 38 ASP HA H 1 4.57 0.02 . 1 . . . . 38 ASP HA . 16084 1 418 . 1 1 38 38 ASP HB2 H 1 2.73 0.02 . 2 . . . . 38 ASP HB2 . 16084 1 419 . 1 1 38 38 ASP HB3 H 1 2.73 0.02 . 2 . . . . 38 ASP HB3 . 16084 1 420 . 1 1 38 38 ASP CA C 13 53.8 0.5 . 1 . . . . 38 ASP CA . 16084 1 421 . 1 1 38 38 ASP CB C 13 39.5 0.5 . 1 . . . . 38 ASP CB . 16084 1 422 . 1 1 38 38 ASP N N 15 113.7 0.5 . 1 . . . . 38 ASP N . 16084 1 423 . 1 1 39 39 TYR H H 1 8.11 0.02 . 1 . . . . 39 TYR HN . 16084 1 424 . 1 1 39 39 TYR HA H 1 4.54 0.02 . 1 . . . . 39 TYR HA . 16084 1 425 . 1 1 39 39 TYR HB2 H 1 2.84 0.02 . 2 . . . . 39 TYR HB2 . 16084 1 426 . 1 1 39 39 TYR HB3 H 1 3.47 0.02 . 2 . . . . 39 TYR HB3 . 16084 1 427 . 1 1 39 39 TYR HD1 H 1 7.25 0.02 . 3 . . . . 39 TYR HD1 . 16084 1 428 . 1 1 39 39 TYR HD2 H 1 7.25 0.02 . 3 . . . . 39 TYR HD2 . 16084 1 429 . 1 1 39 39 TYR HE1 H 1 6.35 0.02 . 3 . . . . 39 TYR HE1 . 16084 1 430 . 1 1 39 39 TYR HE2 H 1 6.35 0.02 . 3 . . . . 39 TYR HE2 . 16084 1 431 . 1 1 39 39 TYR CA C 13 58.5 0.5 . 1 . . . . 39 TYR CA . 16084 1 432 . 1 1 39 39 TYR CB C 13 36.5 0.5 . 1 . . . . 39 TYR CB . 16084 1 433 . 1 1 39 39 TYR CD1 C 13 133.4 0.5 . 1 . . . . 39 TYR CD1 . 16084 1 434 . 1 1 39 39 TYR CE1 C 13 117.4 0.5 . 1 . . . . 39 TYR CE1 . 16084 1 435 . 1 1 39 39 TYR N N 15 123.7 0.5 . 1 . . . . 39 TYR N . 16084 1 436 . 1 1 40 40 VAL H H 1 7.88 0.02 . 1 . . . . 40 VAL HN . 16084 1 437 . 1 1 40 40 VAL HA H 1 3.77 0.02 . 1 . . . . 40 VAL HA . 16084 1 438 . 1 1 40 40 VAL HB H 1 1.87 0.02 . 1 . . . . 40 VAL HB . 16084 1 439 . 1 1 40 40 VAL HG11 H 1 0.81 0.02 . 2 . . . . 40 VAL HG1 . 16084 1 440 . 1 1 40 40 VAL HG12 H 1 0.81 0.02 . 2 . . . . 40 VAL HG1 . 16084 1 441 . 1 1 40 40 VAL HG13 H 1 0.81 0.02 . 2 . . . . 40 VAL HG1 . 16084 1 442 . 1 1 40 40 VAL HG21 H 1 0.92 0.02 . 2 . . . . 40 VAL HG2 . 16084 1 443 . 1 1 40 40 VAL HG22 H 1 0.92 0.02 . 2 . . . . 40 VAL HG2 . 16084 1 444 . 1 1 40 40 VAL HG23 H 1 0.92 0.02 . 2 . . . . 40 VAL HG2 . 16084 1 445 . 1 1 40 40 VAL CA C 13 65.0 0.5 . 1 . . . . 40 VAL CA . 16084 1 446 . 1 1 40 40 VAL CB C 13 32.5 0.5 . 1 . . . . 40 VAL CB . 16084 1 447 . 1 1 40 40 VAL CG1 C 13 20.3 0.5 . 1 . . . . 40 VAL CG1 . 16084 1 448 . 1 1 40 40 VAL CG2 C 13 23.1 0.5 . 1 . . . . 40 VAL CG2 . 16084 1 449 . 1 1 40 40 VAL N N 15 128.1 0.5 . 1 . . . . 40 VAL N . 16084 1 450 . 1 1 41 41 GLY H H 1 7.53 0.02 . 1 . . . . 41 GLY HN . 16084 1 451 . 1 1 41 41 GLY HA2 H 1 3.41 0.02 . 2 . . . . 41 GLY HA1 . 16084 1 452 . 1 1 41 41 GLY HA3 H 1 3.88 0.02 . 2 . . . . 41 GLY HA2 . 16084 1 453 . 1 1 41 41 GLY CA C 13 46.4 0.5 . 1 . . . . 41 GLY CA . 16084 1 454 . 1 1 41 41 GLY N N 15 105.9 0.5 . 1 . . . . 41 GLY N . 16084 1 455 . 1 1 42 42 THR H H 1 7.15 0.02 . 1 . . . . 42 THR HN . 16084 1 456 . 1 1 42 42 THR HA H 1 3.58 0.02 . 1 . . . . 42 THR HA . 16084 1 457 . 1 1 42 42 THR HB H 1 3.27 0.02 . 1 . . . . 42 THR HB . 16084 1 458 . 1 1 42 42 THR HG1 H 1 5.58 0.02 . 1 . . . . 42 THR HG1 . 16084 1 459 . 1 1 42 42 THR HG21 H 1 1.08 0.02 . 1 . . . . 42 THR HG2 . 16084 1 460 . 1 1 42 42 THR HG22 H 1 1.08 0.02 . 1 . . . . 42 THR HG2 . 16084 1 461 . 1 1 42 42 THR HG23 H 1 1.08 0.02 . 1 . . . . 42 THR HG2 . 16084 1 462 . 1 1 42 42 THR CA C 13 65.6 0.5 . 1 . . . . 42 THR CA . 16084 1 463 . 1 1 42 42 THR CB C 13 68.9 0.5 . 1 . . . . 42 THR CB . 16084 1 464 . 1 1 42 42 THR CG2 C 13 25.5 0.5 . 1 . . . . 42 THR CG2 . 16084 1 465 . 1 1 42 42 THR N N 15 111.9 0.5 . 1 . . . . 42 THR N . 16084 1 466 . 1 1 43 43 TYR H H 1 7.04 0.02 . 1 . . . . 43 TYR HN . 16084 1 467 . 1 1 43 43 TYR HA H 1 3.46 0.02 . 1 . . . . 43 TYR HA . 16084 1 468 . 1 1 43 43 TYR HB2 H 1 2.93 0.02 . 2 . . . . 43 TYR HB2 . 16084 1 469 . 1 1 43 43 TYR HB3 H 1 3.02 0.02 . 2 . . . . 43 TYR HB3 . 16084 1 470 . 1 1 43 43 TYR HD1 H 1 7.56 0.02 . 3 . . . . 43 TYR HD1 . 16084 1 471 . 1 1 43 43 TYR HD2 H 1 7.56 0.02 . 3 . . . . 43 TYR HD2 . 16084 1 472 . 1 1 43 43 TYR HE1 H 1 6.88 0.02 . 3 . . . . 43 TYR HE1 . 16084 1 473 . 1 1 43 43 TYR HE2 H 1 6.88 0.02 . 3 . . . . 43 TYR HE2 . 16084 1 474 . 1 1 43 43 TYR CA C 13 64.1 0.5 . 1 . . . . 43 TYR CA . 16084 1 475 . 1 1 43 43 TYR CB C 13 38.3 0.5 . 1 . . . . 43 TYR CB . 16084 1 476 . 1 1 43 43 TYR CD1 C 13 132.9 0.5 . 1 . . . . 43 TYR CD1 . 16084 1 477 . 1 1 43 43 TYR CE1 C 13 118.4 0.5 . 1 . . . . 43 TYR CE1 . 16084 1 478 . 1 1 43 43 TYR N N 15 113.5 0.5 . 1 . . . . 43 TYR N . 16084 1 479 . 1 1 44 44 TYR H H 1 9.77 0.02 . 1 . . . . 44 TYR HN . 16084 1 480 . 1 1 44 44 TYR HA H 1 3.99 0.02 . 1 . . . . 44 TYR HA . 16084 1 481 . 1 1 44 44 TYR HB2 H 1 2.54 0.02 . 2 . . . . 44 TYR HB2 . 16084 1 482 . 1 1 44 44 TYR HB3 H 1 3.01 0.02 . 2 . . . . 44 TYR HB3 . 16084 1 483 . 1 1 44 44 TYR HD1 H 1 6.03 0.02 . 3 . . . . 44 TYR HD1 . 16084 1 484 . 1 1 44 44 TYR HD2 H 1 6.03 0.02 . 3 . . . . 44 TYR HD2 . 16084 1 485 . 1 1 44 44 TYR HE1 H 1 6.54 0.02 . 3 . . . . 44 TYR HE1 . 16084 1 486 . 1 1 44 44 TYR HE2 H 1 6.54 0.02 . 3 . . . . 44 TYR HE2 . 16084 1 487 . 1 1 44 44 TYR CA C 13 61.9 0.5 . 1 . . . . 44 TYR CA . 16084 1 488 . 1 1 44 44 TYR CB C 13 38.8 0.5 . 1 . . . . 44 TYR CB . 16084 1 489 . 1 1 44 44 TYR CD1 C 13 132.1 0.5 . 1 . . . . 44 TYR CD1 . 16084 1 490 . 1 1 44 44 TYR CE1 C 13 118.3 0.5 . 1 . . . . 44 TYR CE1 . 16084 1 491 . 1 1 44 44 TYR N N 15 119.8 0.5 . 1 . . . . 44 TYR N . 16084 1 492 . 1 1 45 45 HIS H H 1 6.38 0.02 . 1 . . . . 45 HIS HN . 16084 1 493 . 1 1 45 45 HIS HA H 1 3.77 0.02 . 1 . . . . 45 HIS HA . 16084 1 494 . 1 1 45 45 HIS HB2 H 1 2.17 0.02 . 2 . . . . 45 HIS HB2 . 16084 1 495 . 1 1 45 45 HIS HB3 H 1 2.66 0.02 . 2 . . . . 45 HIS HB3 . 16084 1 496 . 1 1 45 45 HIS HD2 H 1 7.82 0.02 . 1 . . . . 45 HIS HD2 . 16084 1 497 . 1 1 45 45 HIS HE1 H 1 7.95 0.02 . 1 . . . . 45 HIS HE1 . 16084 1 498 . 1 1 45 45 HIS CA C 13 58.5 0.5 . 1 . . . . 45 HIS CA . 16084 1 499 . 1 1 45 45 HIS CB C 13 31.6 0.5 . 1 . . . . 45 HIS CB . 16084 1 500 . 1 1 45 45 HIS CD2 C 13 120.3 0.5 . 1 . . . . 45 HIS CD2 . 16084 1 501 . 1 1 45 45 HIS CE1 C 13 139.2 0.5 . 1 . . . . 45 HIS CE1 . 16084 1 502 . 1 1 45 45 HIS N N 15 114.5 0.5 . 1 . . . . 45 HIS N . 16084 1 503 . 1 1 46 46 LEU H H 1 8.36 0.02 . 1 . . . . 46 LEU HN . 16084 1 504 . 1 1 46 46 LEU HA H 1 3.66 0.02 . 1 . . . . 46 LEU HA . 16084 1 505 . 1 1 46 46 LEU HB2 H 1 0.79 0.02 . 2 . . . . 46 LEU HB2 . 16084 1 506 . 1 1 46 46 LEU HB3 H 1 1.48 0.02 . 2 . . . . 46 LEU HB3 . 16084 1 507 . 1 1 46 46 LEU HD11 H 1 0.39 0.02 . 2 . . . . 46 LEU HD1 . 16084 1 508 . 1 1 46 46 LEU HD12 H 1 0.39 0.02 . 2 . . . . 46 LEU HD1 . 16084 1 509 . 1 1 46 46 LEU HD13 H 1 0.39 0.02 . 2 . . . . 46 LEU HD1 . 16084 1 510 . 1 1 46 46 LEU HD21 H 1 0.70 0.02 . 2 . . . . 46 LEU HD2 . 16084 1 511 . 1 1 46 46 LEU HD22 H 1 0.70 0.02 . 2 . . . . 46 LEU HD2 . 16084 1 512 . 1 1 46 46 LEU HD23 H 1 0.70 0.02 . 2 . . . . 46 LEU HD2 . 16084 1 513 . 1 1 46 46 LEU HG H 1 1.17 0.02 . 1 . . . . 46 LEU HG . 16084 1 514 . 1 1 46 46 LEU CA C 13 57.1 0.5 . 1 . . . . 46 LEU CA . 16084 1 515 . 1 1 46 46 LEU CB C 13 40.8 0.5 . 1 . . . . 46 LEU CB . 16084 1 516 . 1 1 46 46 LEU CD1 C 13 21.6 0.5 . 1 . . . . 46 LEU CD1 . 16084 1 517 . 1 1 46 46 LEU CD2 C 13 25.8 0.5 . 1 . . . . 46 LEU CD2 . 16084 1 518 . 1 1 46 46 LEU CG C 13 26.7 0.5 . 1 . . . . 46 LEU CG . 16084 1 519 . 1 1 46 46 LEU N N 15 121.1 0.5 . 1 . . . . 46 LEU N . 16084 1 520 . 1 1 47 47 GLY H H 1 8.44 0.02 . 1 . . . . 47 GLY HN . 16084 1 521 . 1 1 47 47 GLY HA2 H 1 3.35 0.02 . 2 . . . . 47 GLY HA1 . 16084 1 522 . 1 1 47 47 GLY HA3 H 1 3.53 0.02 . 2 . . . . 47 GLY HA2 . 16084 1 523 . 1 1 47 47 GLY CA C 13 47.2 0.5 . 1 . . . . 47 GLY CA . 16084 1 524 . 1 1 47 47 GLY N N 15 106.5 0.5 . 1 . . . . 47 GLY N . 16084 1 525 . 1 1 48 48 LYS H H 1 7.97 0.02 . 1 . . . . 48 LYS HN . 16084 1 526 . 1 1 48 48 LYS HA H 1 3.80 0.02 . 1 . . . . 48 LYS HA . 16084 1 527 . 1 1 48 48 LYS HB2 H 1 1.50 0.02 . 2 . . . . 48 LYS HB2 . 16084 1 528 . 1 1 48 48 LYS HB3 H 1 1.83 0.02 . 2 . . . . 48 LYS HB3 . 16084 1 529 . 1 1 48 48 LYS HD2 H 1 1.36 0.02 . 2 . . . . 48 LYS HD2 . 16084 1 530 . 1 1 48 48 LYS HD3 H 1 1.51 0.02 . 2 . . . . 48 LYS HD3 . 16084 1 531 . 1 1 48 48 LYS HE2 H 1 2.55 0.02 . 2 . . . . 48 LYS HE2 . 16084 1 532 . 1 1 48 48 LYS HE3 H 1 2.81 0.02 . 2 . . . . 48 LYS HE3 . 16084 1 533 . 1 1 48 48 LYS HG2 H 1 0.85 0.02 . 2 . . . . 48 LYS HG2 . 16084 1 534 . 1 1 48 48 LYS HG3 H 1 1.17 0.02 . 2 . . . . 48 LYS HG3 . 16084 1 535 . 1 1 48 48 LYS CA C 13 58.2 0.5 . 1 . . . . 48 LYS CA . 16084 1 536 . 1 1 48 48 LYS CB C 13 31.6 0.5 . 1 . . . . 48 LYS CB . 16084 1 537 . 1 1 48 48 LYS CD C 13 28.2 0.5 . 1 . . . . 48 LYS CD . 16084 1 538 . 1 1 48 48 LYS CE C 13 41.8 0.5 . 1 . . . . 48 LYS CE . 16084 1 539 . 1 1 48 48 LYS CG C 13 23.4 0.5 . 1 . . . . 48 LYS CG . 16084 1 540 . 1 1 48 48 LYS N N 15 120.5 0.5 . 1 . . . . 48 LYS N . 16084 1 541 . 1 1 49 49 LEU H H 1 7.80 0.02 . 1 . . . . 49 LEU HN . 16084 1 542 . 1 1 49 49 LEU HA H 1 4.17 0.02 . 1 . . . . 49 LEU HA . 16084 1 543 . 1 1 49 49 LEU HB2 H 1 1.61 0.02 . 2 . . . . 49 LEU HB2 . 16084 1 544 . 1 1 49 49 LEU HB3 H 1 1.86 0.02 . 2 . . . . 49 LEU HB3 . 16084 1 545 . 1 1 49 49 LEU HD11 H 1 0.99 0.02 . 2 . . . . 49 LEU HD1 . 16084 1 546 . 1 1 49 49 LEU HD12 H 1 0.99 0.02 . 2 . . . . 49 LEU HD1 . 16084 1 547 . 1 1 49 49 LEU HD13 H 1 0.99 0.02 . 2 . . . . 49 LEU HD1 . 16084 1 548 . 1 1 49 49 LEU HD21 H 1 0.96 0.02 . 2 . . . . 49 LEU HD2 . 16084 1 549 . 1 1 49 49 LEU HD22 H 1 0.96 0.02 . 2 . . . . 49 LEU HD2 . 16084 1 550 . 1 1 49 49 LEU HD23 H 1 0.96 0.02 . 2 . . . . 49 LEU HD2 . 16084 1 551 . 1 1 49 49 LEU HG H 1 1.60 0.02 . 1 . . . . 49 LEU HG . 16084 1 552 . 1 1 49 49 LEU CA C 13 57.5 0.5 . 1 . . . . 49 LEU CA . 16084 1 553 . 1 1 49 49 LEU CB C 13 41.0 0.5 . 1 . . . . 49 LEU CB . 16084 1 554 . 1 1 49 49 LEU CD1 C 13 23.5 0.5 . 1 . . . . 49 LEU CD1 . 16084 1 555 . 1 1 49 49 LEU CD2 C 13 26.2 0.5 . 1 . . . . 49 LEU CD2 . 16084 1 556 . 1 1 49 49 LEU CG C 13 27.0 0.5 . 1 . . . . 49 LEU CG . 16084 1 557 . 1 1 49 49 LEU N N 15 124.0 0.5 . 1 . . . . 49 LEU N . 16084 1 558 . 1 1 50 50 TYR H H 1 8.61 0.02 . 1 . . . . 50 TYR HN . 16084 1 559 . 1 1 50 50 TYR HA H 1 4.42 0.02 . 1 . . . . 50 TYR HA . 16084 1 560 . 1 1 50 50 TYR HB2 H 1 2.91 0.02 . 2 . . . . 50 TYR HB2 . 16084 1 561 . 1 1 50 50 TYR HB3 H 1 3.39 0.02 . 2 . . . . 50 TYR HB3 . 16084 1 562 . 1 1 50 50 TYR HD1 H 1 6.54 0.02 . 3 . . . . 50 TYR HD1 . 16084 1 563 . 1 1 50 50 TYR HD2 H 1 6.54 0.02 . 3 . . . . 50 TYR HD2 . 16084 1 564 . 1 1 50 50 TYR HE1 H 1 6.72 0.02 . 3 . . . . 50 TYR HE1 . 16084 1 565 . 1 1 50 50 TYR HE2 H 1 6.72 0.02 . 3 . . . . 50 TYR HE2 . 16084 1 566 . 1 1 50 50 TYR CA C 13 59.6 0.5 . 1 . . . . 50 TYR CA . 16084 1 567 . 1 1 50 50 TYR CB C 13 35.6 0.5 . 1 . . . . 50 TYR CB . 16084 1 568 . 1 1 50 50 TYR CD1 C 13 129.6 0.5 . 1 . . . . 50 TYR CD1 . 16084 1 569 . 1 1 50 50 TYR CE1 C 13 118.9 0.5 . 1 . . . . 50 TYR CE1 . 16084 1 570 . 1 1 50 50 TYR N N 15 119.0 0.5 . 1 . . . . 50 TYR N . 16084 1 571 . 1 1 51 51 GLU H H 1 8.41 0.02 . 1 . . . . 51 GLU HN . 16084 1 572 . 1 1 51 51 GLU HA H 1 3.76 0.02 . 1 . . . . 51 GLU HA . 16084 1 573 . 1 1 51 51 GLU HB2 H 1 2.24 0.02 . 2 . . . . 51 GLU HB2 . 16084 1 574 . 1 1 51 51 GLU HB3 H 1 2.16 0.02 . 2 . . . . 51 GLU HB3 . 16084 1 575 . 1 1 51 51 GLU HG2 H 1 1.89 0.02 . 2 . . . . 51 GLU HG2 . 16084 1 576 . 1 1 51 51 GLU HG3 H 1 2.65 0.02 . 2 . . . . 51 GLU HG3 . 16084 1 577 . 1 1 51 51 GLU CA C 13 61.6 0.5 . 1 . . . . 51 GLU CA . 16084 1 578 . 1 1 51 51 GLU CB C 13 29.8 0.5 . 1 . . . . 51 GLU CB . 16084 1 579 . 1 1 51 51 GLU CG C 13 38.4 0.5 . 1 . . . . 51 GLU CG . 16084 1 580 . 1 1 51 51 GLU N N 15 118.6 0.5 . 1 . . . . 51 GLU N . 16084 1 581 . 1 1 52 52 ARG H H 1 7.91 0.02 . 1 . . . . 52 ARG HN . 16084 1 582 . 1 1 52 52 ARG HA H 1 4.15 0.02 . 1 . . . . 52 ARG HA . 16084 1 583 . 1 1 52 52 ARG HB2 H 1 2.17 0.02 . 2 . . . . 52 ARG HB2 . 16084 1 584 . 1 1 52 52 ARG HB3 H 1 2.10 0.02 . 2 . . . . 52 ARG HB3 . 16084 1 585 . 1 1 52 52 ARG HD2 H 1 3.13 0.02 . 2 . . . . 52 ARG HD2 . 16084 1 586 . 1 1 52 52 ARG HD3 H 1 3.21 0.02 . 2 . . . . 52 ARG HD3 . 16084 1 587 . 1 1 52 52 ARG HG2 H 1 1.67 0.02 . 2 . . . . 52 ARG HG2 . 16084 1 588 . 1 1 52 52 ARG HG3 H 1 1.90 0.02 . 2 . . . . 52 ARG HG3 . 16084 1 589 . 1 1 52 52 ARG CA C 13 58.6 0.5 . 1 . . . . 52 ARG CA . 16084 1 590 . 1 1 52 52 ARG CB C 13 29.6 0.5 . 1 . . . . 52 ARG CB . 16084 1 591 . 1 1 52 52 ARG CD C 13 43.8 0.5 . 1 . . . . 52 ARG CD . 16084 1 592 . 1 1 52 52 ARG CG C 13 26.9 0.5 . 1 . . . . 52 ARG CG . 16084 1 593 . 1 1 52 52 ARG N N 15 122.2 0.5 . 1 . . . . 52 ARG N . 16084 1 594 . 1 1 53 53 LEU H H 1 7.74 0.02 . 1 . . . . 53 LEU HN . 16084 1 595 . 1 1 53 53 LEU HA H 1 4.40 0.02 . 1 . . . . 53 LEU HA . 16084 1 596 . 1 1 53 53 LEU HB2 H 1 1.84 0.02 . 2 . . . . 53 LEU HB2 . 16084 1 597 . 1 1 53 53 LEU HB3 H 1 1.77 0.02 . 2 . . . . 53 LEU HB3 . 16084 1 598 . 1 1 53 53 LEU HD11 H 1 0.91 0.02 . 2 . . . . 53 LEU HD1 . 16084 1 599 . 1 1 53 53 LEU HD12 H 1 0.91 0.02 . 2 . . . . 53 LEU HD1 . 16084 1 600 . 1 1 53 53 LEU HD13 H 1 0.91 0.02 . 2 . . . . 53 LEU HD1 . 16084 1 601 . 1 1 53 53 LEU HD21 H 1 0.82 0.02 . 2 . . . . 53 LEU HD2 . 16084 1 602 . 1 1 53 53 LEU HD22 H 1 0.82 0.02 . 2 . . . . 53 LEU HD2 . 16084 1 603 . 1 1 53 53 LEU HD23 H 1 0.82 0.02 . 2 . . . . 53 LEU HD2 . 16084 1 604 . 1 1 53 53 LEU HG H 1 1.84 0.02 . 1 . . . . 53 LEU HG . 16084 1 605 . 1 1 53 53 LEU CA C 13 54.1 0.5 . 1 . . . . 53 LEU CA . 16084 1 606 . 1 1 53 53 LEU CB C 13 41.4 0.5 . 1 . . . . 53 LEU CB . 16084 1 607 . 1 1 53 53 LEU CD1 C 13 26.5 0.5 . 1 . . . . 53 LEU CD1 . 16084 1 608 . 1 1 53 53 LEU CD2 C 13 21.6 0.5 . 1 . . . . 53 LEU CD2 . 16084 1 609 . 1 1 53 53 LEU CG C 13 26.3 0.5 . 1 . . . . 53 LEU CG . 16084 1 610 . 1 1 53 53 LEU N N 15 119.4 0.5 . 1 . . . . 53 LEU N . 16084 1 611 . 1 1 54 54 ASP H H 1 8.09 0.02 . 1 . . . . 54 ASP HN . 16084 1 612 . 1 1 54 54 ASP HA H 1 4.41 0.02 . 1 . . . . 54 ASP HA . 16084 1 613 . 1 1 54 54 ASP HB2 H 1 2.69 0.02 . 2 . . . . 54 ASP HB2 . 16084 1 614 . 1 1 54 54 ASP HB3 H 1 3.19 0.02 . 2 . . . . 54 ASP HB3 . 16084 1 615 . 1 1 54 54 ASP CA C 13 55.5 0.5 . 1 . . . . 54 ASP CA . 16084 1 616 . 1 1 54 54 ASP CB C 13 38.9 0.5 . 1 . . . . 54 ASP CB . 16084 1 617 . 1 1 54 54 ASP N N 15 116.3 0.5 . 1 . . . . 54 ASP N . 16084 1 618 . 1 1 55 55 ARG H H 1 8.42 0.02 . 1 . . . . 55 ARG HN . 16084 1 619 . 1 1 55 55 ARG HA H 1 4.68 0.02 . 1 . . . . 55 ARG HA . 16084 1 620 . 1 1 55 55 ARG HB2 H 1 1.45 0.02 . 2 . . . . 55 ARG HB2 . 16084 1 621 . 1 1 55 55 ARG HB3 H 1 2.19 0.02 . 2 . . . . 55 ARG HB3 . 16084 1 622 . 1 1 55 55 ARG HD2 H 1 2.87 0.02 . 2 . . . . 55 ARG HD2 . 16084 1 623 . 1 1 55 55 ARG HD3 H 1 3.48 0.02 . 2 . . . . 55 ARG HD3 . 16084 1 624 . 1 1 55 55 ARG HE H 1 7.41 0.02 . 1 . . . . 55 ARG HE . 16084 1 625 . 1 1 55 55 ARG HG2 H 1 1.55 0.02 . 2 . . . . 55 ARG HG2 . 16084 1 626 . 1 1 55 55 ARG HG3 H 1 1.72 0.02 . 2 . . . . 55 ARG HG3 . 16084 1 627 . 1 1 55 55 ARG CA C 13 54.0 0.5 . 1 . . . . 55 ARG CA . 16084 1 628 . 1 1 55 55 ARG CB C 13 29.8 0.5 . 1 . . . . 55 ARG CB . 16084 1 629 . 1 1 55 55 ARG CD C 13 44.5 0.5 . 1 . . . . 55 ARG CD . 16084 1 630 . 1 1 55 55 ARG CG C 13 24.6 0.5 . 1 . . . . 55 ARG CG . 16084 1 631 . 1 1 55 55 ARG N N 15 120.8 0.5 . 1 . . . . 55 ARG N . 16084 1 632 . 1 1 55 55 ARG NE N 15 83.1 0.5 . 1 . . . . 55 ARG NE . 16084 1 633 . 1 1 56 56 THR H H 1 7.87 0.02 . 1 . . . . 56 THR HN . 16084 1 634 . 1 1 56 56 THR HA H 1 3.51 0.02 . 1 . . . . 56 THR HA . 16084 1 635 . 1 1 56 56 THR HB H 1 3.96 0.02 . 1 . . . . 56 THR HB . 16084 1 636 . 1 1 56 56 THR HG21 H 1 1.22 0.02 . 1 . . . . 56 THR HG2 . 16084 1 637 . 1 1 56 56 THR HG22 H 1 1.22 0.02 . 1 . . . . 56 THR HG2 . 16084 1 638 . 1 1 56 56 THR HG23 H 1 1.22 0.02 . 1 . . . . 56 THR HG2 . 16084 1 639 . 1 1 56 56 THR CA C 13 67.5 0.5 . 1 . . . . 56 THR CA . 16084 1 640 . 1 1 56 56 THR CB C 13 68.0 0.5 . 1 . . . . 56 THR CB . 16084 1 641 . 1 1 56 56 THR CG2 C 13 23.1 0.5 . 1 . . . . 56 THR CG2 . 16084 1 642 . 1 1 56 56 THR N N 15 117.3 0.5 . 1 . . . . 56 THR N . 16084 1 643 . 1 1 57 57 ASP H H 1 8.45 0.02 . 1 . . . . 57 ASP HN . 16084 1 644 . 1 1 57 57 ASP HA H 1 4.26 0.02 . 1 . . . . 57 ASP HA . 16084 1 645 . 1 1 57 57 ASP HB2 H 1 2.56 0.02 . 2 . . . . 57 ASP HB2 . 16084 1 646 . 1 1 57 57 ASP HB3 H 1 2.64 0.02 . 2 . . . . 57 ASP HB3 . 16084 1 647 . 1 1 57 57 ASP CA C 13 57.9 0.5 . 1 . . . . 57 ASP CA . 16084 1 648 . 1 1 57 57 ASP CB C 13 39.1 0.5 . 1 . . . . 57 ASP CB . 16084 1 649 . 1 1 57 57 ASP N N 15 120.3 0.5 . 1 . . . . 57 ASP N . 16084 1 650 . 1 1 58 58 ASP H H 1 7.54 0.02 . 1 . . . . 58 ASP HN . 16084 1 651 . 1 1 58 58 ASP HA H 1 4.17 0.02 . 1 . . . . 58 ASP HA . 16084 1 652 . 1 1 58 58 ASP HB2 H 1 1.41 0.02 . 2 . . . . 58 ASP HB2 . 16084 1 653 . 1 1 58 58 ASP HB3 H 1 1.86 0.02 . 2 . . . . 58 ASP HB3 . 16084 1 654 . 1 1 58 58 ASP CA C 13 56.9 0.5 . 1 . . . . 58 ASP CA . 16084 1 655 . 1 1 58 58 ASP CB C 13 38.4 0.5 . 1 . . . . 58 ASP CB . 16084 1 656 . 1 1 58 58 ASP N N 15 120.2 0.5 . 1 . . . . 58 ASP N . 16084 1 657 . 1 1 59 59 ALA H H 1 8.11 0.02 . 1 . . . . 59 ALA HN . 16084 1 658 . 1 1 59 59 ALA HA H 1 3.76 0.02 . 1 . . . . 59 ALA HA . 16084 1 659 . 1 1 59 59 ALA HB1 H 1 1.51 0.02 . 1 . . . . 59 ALA HB . 16084 1 660 . 1 1 59 59 ALA HB2 H 1 1.51 0.02 . 1 . . . . 59 ALA HB . 16084 1 661 . 1 1 59 59 ALA HB3 H 1 1.51 0.02 . 1 . . . . 59 ALA HB . 16084 1 662 . 1 1 59 59 ALA CA C 13 56.0 0.5 . 1 . . . . 59 ALA CA . 16084 1 663 . 1 1 59 59 ALA CB C 13 19.2 0.5 . 1 . . . . 59 ALA CB . 16084 1 664 . 1 1 59 59 ALA N N 15 124.7 0.5 . 1 . . . . 59 ALA N . 16084 1 665 . 1 1 60 60 ILE H H 1 8.23 0.02 . 1 . . . . 60 ILE HN . 16084 1 666 . 1 1 60 60 ILE HA H 1 3.52 0.02 . 1 . . . . 60 ILE HA . 16084 1 667 . 1 1 60 60 ILE HB H 1 1.88 0.02 . 1 . . . . 60 ILE HB . 16084 1 668 . 1 1 60 60 ILE HD11 H 1 0.76 0.02 . 1 . . . . 60 ILE HD1 . 16084 1 669 . 1 1 60 60 ILE HD12 H 1 0.76 0.02 . 1 . . . . 60 ILE HD1 . 16084 1 670 . 1 1 60 60 ILE HD13 H 1 0.76 0.02 . 1 . . . . 60 ILE HD1 . 16084 1 671 . 1 1 60 60 ILE HG12 H 1 0.94 0.02 . 2 . . . . 60 ILE HG12 . 16084 1 672 . 1 1 60 60 ILE HG13 H 1 1.89 0.02 . 2 . . . . 60 ILE HG13 . 16084 1 673 . 1 1 60 60 ILE HG21 H 1 0.99 0.02 . 1 . . . . 60 ILE HG2 . 16084 1 674 . 1 1 60 60 ILE HG22 H 1 0.99 0.02 . 1 . . . . 60 ILE HG2 . 16084 1 675 . 1 1 60 60 ILE HG23 H 1 0.99 0.02 . 1 . . . . 60 ILE HG2 . 16084 1 676 . 1 1 60 60 ILE CA C 13 66.8 0.5 . 1 . . . . 60 ILE CA . 16084 1 677 . 1 1 60 60 ILE CB C 13 38.4 0.5 . 1 . . . . 60 ILE CB . 16084 1 678 . 1 1 60 60 ILE CD1 C 13 14.1 0.5 . 1 . . . . 60 ILE CD1 . 16084 1 679 . 1 1 60 60 ILE CG1 C 13 31.2 0.5 . 1 . . . . 60 ILE CG1 . 16084 1 680 . 1 1 60 60 ILE CG2 C 13 17.7 0.5 . 1 . . . . 60 ILE CG2 . 16084 1 681 . 1 1 60 60 ILE N N 15 117.6 0.5 . 1 . . . . 60 ILE N . 16084 1 682 . 1 1 61 61 ASP H H 1 7.75 0.02 . 1 . . . . 61 ASP HN . 16084 1 683 . 1 1 61 61 ASP HA H 1 4.44 0.02 . 1 . . . . 61 ASP HA . 16084 1 684 . 1 1 61 61 ASP HB2 H 1 2.71 0.02 . 2 . . . . 61 ASP HB2 . 16084 1 685 . 1 1 61 61 ASP HB3 H 1 2.74 0.02 . 2 . . . . 61 ASP HB3 . 16084 1 686 . 1 1 61 61 ASP CA C 13 57.1 0.5 . 1 . . . . 61 ASP CA . 16084 1 687 . 1 1 61 61 ASP CB C 13 40.5 0.5 . 1 . . . . 61 ASP CB . 16084 1 688 . 1 1 61 61 ASP N N 15 118.3 0.5 . 1 . . . . 61 ASP N . 16084 1 689 . 1 1 62 62 THR H H 1 8.04 0.02 . 1 . . . . 62 THR HN . 16084 1 690 . 1 1 62 62 THR HA H 1 4.07 0.02 . 1 . . . . 62 THR HA . 16084 1 691 . 1 1 62 62 THR HB H 1 4.25 0.02 . 1 . . . . 62 THR HB . 16084 1 692 . 1 1 62 62 THR HG21 H 1 1.35 0.02 . 1 . . . . 62 THR HG2 . 16084 1 693 . 1 1 62 62 THR HG22 H 1 1.35 0.02 . 1 . . . . 62 THR HG2 . 16084 1 694 . 1 1 62 62 THR HG23 H 1 1.35 0.02 . 1 . . . . 62 THR HG2 . 16084 1 695 . 1 1 62 62 THR CA C 13 68.0 0.5 . 1 . . . . 62 THR CA . 16084 1 696 . 1 1 62 62 THR CB C 13 68.6 0.5 . 1 . . . . 62 THR CB . 16084 1 697 . 1 1 62 62 THR CG2 C 13 22.3 0.5 . 1 . . . . 62 THR CG2 . 16084 1 698 . 1 1 62 62 THR N N 15 119.8 0.5 . 1 . . . . 62 THR N . 16084 1 699 . 1 1 63 63 TYR H H 1 8.97 0.02 . 1 . . . . 63 TYR HN . 16084 1 700 . 1 1 63 63 TYR HA H 1 4.48 0.02 . 1 . . . . 63 TYR HA . 16084 1 701 . 1 1 63 63 TYR HB2 H 1 3.23 0.02 . 2 . . . . 63 TYR HB2 . 16084 1 702 . 1 1 63 63 TYR HB3 H 1 2.89 0.02 . 2 . . . . 63 TYR HB3 . 16084 1 703 . 1 1 63 63 TYR HD1 H 1 6.74 0.02 . 3 . . . . 63 TYR HD1 . 16084 1 704 . 1 1 63 63 TYR HD2 H 1 6.74 0.02 . 3 . . . . 63 TYR HD2 . 16084 1 705 . 1 1 63 63 TYR HE1 H 1 6.71 0.02 . 3 . . . . 63 TYR HE1 . 16084 1 706 . 1 1 63 63 TYR HE2 H 1 6.71 0.02 . 3 . . . . 63 TYR HE2 . 16084 1 707 . 1 1 63 63 TYR CA C 13 59.2 0.5 . 1 . . . . 63 TYR CA . 16084 1 708 . 1 1 63 63 TYR CB C 13 37.7 0.5 . 1 . . . . 63 TYR CB . 16084 1 709 . 1 1 63 63 TYR CD1 C 13 129.2 0.5 . 1 . . . . 63 TYR CD1 . 16084 1 710 . 1 1 63 63 TYR CE1 C 13 119.0 0.5 . 1 . . . . 63 TYR CE1 . 16084 1 711 . 1 1 63 63 TYR N N 15 121.7 0.5 . 1 . . . . 63 TYR N . 16084 1 712 . 1 1 64 64 ALA H H 1 8.69 0.02 . 1 . . . . 64 ALA HN . 16084 1 713 . 1 1 64 64 ALA HA H 1 4.00 0.02 . 1 . . . . 64 ALA HA . 16084 1 714 . 1 1 64 64 ALA HB1 H 1 1.58 0.02 . 1 . . . . 64 ALA HB . 16084 1 715 . 1 1 64 64 ALA HB2 H 1 1.58 0.02 . 1 . . . . 64 ALA HB . 16084 1 716 . 1 1 64 64 ALA HB3 H 1 1.58 0.02 . 1 . . . . 64 ALA HB . 16084 1 717 . 1 1 64 64 ALA CA C 13 55.5 0.5 . 1 . . . . 64 ALA CA . 16084 1 718 . 1 1 64 64 ALA CB C 13 17.8 0.5 . 1 . . . . 64 ALA CB . 16084 1 719 . 1 1 64 64 ALA N N 15 119.4 0.5 . 1 . . . . 64 ALA N . 16084 1 720 . 1 1 65 65 GLN H H 1 8.10 0.02 . 1 . . . . 65 GLN HN . 16084 1 721 . 1 1 65 65 GLN HA H 1 4.01 0.02 . 1 . . . . 65 GLN HA . 16084 1 722 . 1 1 65 65 GLN HB2 H 1 2.33 0.02 . 2 . . . . 65 GLN HB2 . 16084 1 723 . 1 1 65 65 GLN HB3 H 1 2.13 0.02 . 2 . . . . 65 GLN HB3 . 16084 1 724 . 1 1 65 65 GLN HE21 H 1 6.89 0.02 . 2 . . . . 65 GLN HE21 . 16084 1 725 . 1 1 65 65 GLN HE22 H 1 7.37 0.02 . 2 . . . . 65 GLN HE22 . 16084 1 726 . 1 1 65 65 GLN HG2 H 1 2.42 0.02 . 2 . . . . 65 GLN HG2 . 16084 1 727 . 1 1 65 65 GLN HG3 H 1 2.50 0.02 . 2 . . . . 65 GLN HG3 . 16084 1 728 . 1 1 65 65 GLN CA C 13 58.6 0.5 . 1 . . . . 65 GLN CA . 16084 1 729 . 1 1 65 65 GLN CB C 13 28.5 0.5 . 1 . . . . 65 GLN CB . 16084 1 730 . 1 1 65 65 GLN CG C 13 33.9 0.5 . 1 . . . . 65 GLN CG . 16084 1 731 . 1 1 65 65 GLN N N 15 119.6 0.5 . 1 . . . . 65 GLN N . 16084 1 732 . 1 1 65 65 GLN NE2 N 15 111.7 0.5 . 1 . . . . 65 GLN NE2 . 16084 1 733 . 1 1 66 66 GLY H H 1 8.43 0.02 . 1 . . . . 66 GLY HN . 16084 1 734 . 1 1 66 66 GLY HA2 H 1 3.08 0.02 . 2 . . . . 66 GLY HA1 . 16084 1 735 . 1 1 66 66 GLY HA3 H 1 2.52 0.02 . 2 . . . . 66 GLY HA2 . 16084 1 736 . 1 1 66 66 GLY CA C 13 46.8 0.5 . 1 . . . . 66 GLY CA . 16084 1 737 . 1 1 66 66 GLY N N 15 108.2 0.5 . 1 . . . . 66 GLY N . 16084 1 738 . 1 1 67 67 ILE H H 1 8.57 0.02 . 1 . . . . 67 ILE HN . 16084 1 739 . 1 1 67 67 ILE HA H 1 3.32 0.02 . 1 . . . . 67 ILE HA . 16084 1 740 . 1 1 67 67 ILE HB H 1 1.90 0.02 . 1 . . . . 67 ILE HB . 16084 1 741 . 1 1 67 67 ILE HD11 H 1 0.76 0.02 . 1 . . . . 67 ILE HD1 . 16084 1 742 . 1 1 67 67 ILE HD12 H 1 0.76 0.02 . 1 . . . . 67 ILE HD1 . 16084 1 743 . 1 1 67 67 ILE HD13 H 1 0.76 0.02 . 1 . . . . 67 ILE HD1 . 16084 1 744 . 1 1 67 67 ILE HG12 H 1 0.75 0.02 . 2 . . . . 67 ILE HG12 . 16084 1 745 . 1 1 67 67 ILE HG13 H 1 1.98 0.02 . 2 . . . . 67 ILE HG13 . 16084 1 746 . 1 1 67 67 ILE HG21 H 1 0.80 0.02 . 1 . . . . 67 ILE HG2 . 16084 1 747 . 1 1 67 67 ILE HG22 H 1 0.80 0.02 . 1 . . . . 67 ILE HG2 . 16084 1 748 . 1 1 67 67 ILE HG23 H 1 0.80 0.02 . 1 . . . . 67 ILE HG2 . 16084 1 749 . 1 1 67 67 ILE CA C 13 65.9 0.5 . 1 . . . . 67 ILE CA . 16084 1 750 . 1 1 67 67 ILE CB C 13 38.4 0.5 . 1 . . . . 67 ILE CB . 16084 1 751 . 1 1 67 67 ILE CD1 C 13 14.7 0.5 . 1 . . . . 67 ILE CD1 . 16084 1 752 . 1 1 67 67 ILE CG1 C 13 32.1 0.5 . 1 . . . . 67 ILE CG1 . 16084 1 753 . 1 1 67 67 ILE CG2 C 13 16.1 0.5 . 1 . . . . 67 ILE CG2 . 16084 1 754 . 1 1 67 67 ILE N N 15 123.5 0.5 . 1 . . . . 67 ILE N . 16084 1 755 . 1 1 68 68 GLU H H 1 7.03 0.02 . 1 . . . . 68 GLU HN . 16084 1 756 . 1 1 68 68 GLU HA H 1 3.96 0.02 . 1 . . . . 68 GLU HA . 16084 1 757 . 1 1 68 68 GLU HB2 H 1 2.10 0.02 . 2 . . . . 68 GLU HB2 . 16084 1 758 . 1 1 68 68 GLU HB3 H 1 2.10 0.02 . 2 . . . . 68 GLU HB3 . 16084 1 759 . 1 1 68 68 GLU HG2 H 1 2.31 0.02 . 2 . . . . 68 GLU HG2 . 16084 1 760 . 1 1 68 68 GLU HG3 H 1 2.41 0.02 . 2 . . . . 68 GLU HG3 . 16084 1 761 . 1 1 68 68 GLU CA C 13 58.7 0.5 . 1 . . . . 68 GLU CA . 16084 1 762 . 1 1 68 68 GLU CB C 13 28.5 0.5 . 1 . . . . 68 GLU CB . 16084 1 763 . 1 1 68 68 GLU CG C 13 35.6 0.5 . 1 . . . . 68 GLU CG . 16084 1 764 . 1 1 68 68 GLU N N 15 116.5 0.5 . 1 . . . . 68 GLU N . 16084 1 765 . 1 1 69 69 VAL H H 1 7.44 0.02 . 1 . . . . 69 VAL HN . 16084 1 766 . 1 1 69 69 VAL HA H 1 3.74 0.02 . 1 . . . . 69 VAL HA . 16084 1 767 . 1 1 69 69 VAL HB H 1 1.87 0.02 . 1 . . . . 69 VAL HB . 16084 1 768 . 1 1 69 69 VAL HG11 H 1 0.90 0.02 . 2 . . . . 69 VAL HG1 . 16084 1 769 . 1 1 69 69 VAL HG12 H 1 0.90 0.02 . 2 . . . . 69 VAL HG1 . 16084 1 770 . 1 1 69 69 VAL HG13 H 1 0.90 0.02 . 2 . . . . 69 VAL HG1 . 16084 1 771 . 1 1 69 69 VAL HG21 H 1 1.00 0.02 . 2 . . . . 69 VAL HG2 . 16084 1 772 . 1 1 69 69 VAL HG22 H 1 1.00 0.02 . 2 . . . . 69 VAL HG2 . 16084 1 773 . 1 1 69 69 VAL HG23 H 1 1.00 0.02 . 2 . . . . 69 VAL HG2 . 16084 1 774 . 1 1 69 69 VAL CA C 13 65.7 0.5 . 1 . . . . 69 VAL CA . 16084 1 775 . 1 1 69 69 VAL CB C 13 32.0 0.5 . 1 . . . . 69 VAL CB . 16084 1 776 . 1 1 69 69 VAL CG1 C 13 20.9 0.5 . 1 . . . . 69 VAL CG1 . 16084 1 777 . 1 1 69 69 VAL CG2 C 13 21.5 0.5 . 1 . . . . 69 VAL CG2 . 16084 1 778 . 1 1 69 69 VAL N N 15 119.5 0.5 . 1 . . . . 69 VAL N . 16084 1 779 . 1 1 70 70 ALA H H 1 9.29 0.02 . 1 . . . . 70 ALA HN . 16084 1 780 . 1 1 70 70 ALA HA H 1 3.82 0.02 . 1 . . . . 70 ALA HA . 16084 1 781 . 1 1 70 70 ALA HB1 H 1 1.26 0.02 . 1 . . . . 70 ALA HB . 16084 1 782 . 1 1 70 70 ALA HB2 H 1 1.26 0.02 . 1 . . . . 70 ALA HB . 16084 1 783 . 1 1 70 70 ALA HB3 H 1 1.26 0.02 . 1 . . . . 70 ALA HB . 16084 1 784 . 1 1 70 70 ALA CA C 13 54.4 0.5 . 1 . . . . 70 ALA CA . 16084 1 785 . 1 1 70 70 ALA CB C 13 18.0 0.5 . 1 . . . . 70 ALA CB . 16084 1 786 . 1 1 70 70 ALA N N 15 122.5 0.5 . 1 . . . . 70 ALA N . 16084 1 787 . 1 1 71 71 ARG H H 1 8.28 0.02 . 1 . . . . 71 ARG HN . 16084 1 788 . 1 1 71 71 ARG HA H 1 3.87 0.02 . 1 . . . . 71 ARG HA . 16084 1 789 . 1 1 71 71 ARG HB2 H 1 1.91 0.02 . 2 . . . . 71 ARG HB2 . 16084 1 790 . 1 1 71 71 ARG HB3 H 1 1.85 0.02 . 2 . . . . 71 ARG HB3 . 16084 1 791 . 1 1 71 71 ARG HD2 H 1 3.17 0.02 . 2 . . . . 71 ARG HD2 . 16084 1 792 . 1 1 71 71 ARG HD3 H 1 3.17 0.02 . 2 . . . . 71 ARG HD3 . 16084 1 793 . 1 1 71 71 ARG HE H 1 7.27 0.02 . 1 . . . . 71 ARG HE . 16084 1 794 . 1 1 71 71 ARG HG2 H 1 1.58 0.02 . 2 . . . . 71 ARG HG2 . 16084 1 795 . 1 1 71 71 ARG HG3 H 1 1.82 0.02 . 2 . . . . 71 ARG HG3 . 16084 1 796 . 1 1 71 71 ARG CA C 13 59.5 0.5 . 1 . . . . 71 ARG CA . 16084 1 797 . 1 1 71 71 ARG CB C 13 30.0 0.5 . 1 . . . . 71 ARG CB . 16084 1 798 . 1 1 71 71 ARG CD C 13 43.1 0.5 . 1 . . . . 71 ARG CD . 16084 1 799 . 1 1 71 71 ARG CG C 13 27.7 0.5 . 1 . . . . 71 ARG CG . 16084 1 800 . 1 1 71 71 ARG N N 15 116.9 0.5 . 1 . . . . 71 ARG N . 16084 1 801 . 1 1 71 71 ARG NE N 15 84.1 0.5 . 1 . . . . 71 ARG NE . 16084 1 802 . 1 1 72 72 GLU H H 1 7.39 0.02 . 1 . . . . 72 GLU HN . 16084 1 803 . 1 1 72 72 GLU HA H 1 4.30 0.02 . 1 . . . . 72 GLU HA . 16084 1 804 . 1 1 72 72 GLU HB2 H 1 2.10 0.02 . 2 . . . . 72 GLU HB2 . 16084 1 805 . 1 1 72 72 GLU HB3 H 1 2.19 0.02 . 2 . . . . 72 GLU HB3 . 16084 1 806 . 1 1 72 72 GLU HG2 H 1 2.32 0.02 . 2 . . . . 72 GLU HG2 . 16084 1 807 . 1 1 72 72 GLU HG3 H 1 2.39 0.02 . 2 . . . . 72 GLU HG3 . 16084 1 808 . 1 1 72 72 GLU CA C 13 57.7 0.5 . 1 . . . . 72 GLU CA . 16084 1 809 . 1 1 72 72 GLU CB C 13 30.5 0.5 . 1 . . . . 72 GLU CB . 16084 1 810 . 1 1 72 72 GLU CG C 13 35.6 0.5 . 1 . . . . 72 GLU CG . 16084 1 811 . 1 1 72 72 GLU N N 15 116.8 0.5 . 1 . . . . 72 GLU N . 16084 1 812 . 1 1 73 73 GLU H H 1 8.49 0.02 . 1 . . . . 73 GLU HN . 16084 1 813 . 1 1 73 73 GLU HA H 1 4.55 0.02 . 1 . . . . 73 GLU HA . 16084 1 814 . 1 1 73 73 GLU HB2 H 1 2.32 0.02 . 2 . . . . 73 GLU HB2 . 16084 1 815 . 1 1 73 73 GLU HB3 H 1 1.78 0.02 . 2 . . . . 73 GLU HB3 . 16084 1 816 . 1 1 73 73 GLU HG2 H 1 2.37 0.02 . 2 . . . . 73 GLU HG2 . 16084 1 817 . 1 1 73 73 GLU HG3 H 1 2.47 0.02 . 2 . . . . 73 GLU HG3 . 16084 1 818 . 1 1 73 73 GLU CA C 13 55.9 0.5 . 1 . . . . 73 GLU CA . 16084 1 819 . 1 1 73 73 GLU CB C 13 30.8 0.5 . 1 . . . . 73 GLU CB . 16084 1 820 . 1 1 73 73 GLU CG C 13 34.9 0.5 . 1 . . . . 73 GLU CG . 16084 1 821 . 1 1 73 73 GLU N N 15 115.0 0.5 . 1 . . . . 73 GLU N . 16084 1 822 . 1 1 74 74 GLY H H 1 8.07 0.02 . 1 . . . . 74 GLY HN . 16084 1 823 . 1 1 74 74 GLY HA2 H 1 4.45 0.02 . 2 . . . . 74 GLY HA1 . 16084 1 824 . 1 1 74 74 GLY HA3 H 1 3.83 0.02 . 2 . . . . 74 GLY HA2 . 16084 1 825 . 1 1 74 74 GLY CA C 13 44.6 0.5 . 1 . . . . 74 GLY CA . 16084 1 826 . 1 1 74 74 GLY N N 15 108.1 0.5 . 1 . . . . 74 GLY N . 16084 1 827 . 1 1 75 75 THR H H 1 8.76 0.02 . 1 . . . . 75 THR HN . 16084 1 828 . 1 1 75 75 THR HA H 1 4.67 0.02 . 1 . . . . 75 THR HA . 16084 1 829 . 1 1 75 75 THR HB H 1 4.58 0.02 . 1 . . . . 75 THR HB . 16084 1 830 . 1 1 75 75 THR HG21 H 1 1.30 0.02 . 1 . . . . 75 THR HG2 . 16084 1 831 . 1 1 75 75 THR HG22 H 1 1.30 0.02 . 1 . . . . 75 THR HG2 . 16084 1 832 . 1 1 75 75 THR HG23 H 1 1.30 0.02 . 1 . . . . 75 THR HG2 . 16084 1 833 . 1 1 75 75 THR CA C 13 59.0 0.5 . 1 . . . . 75 THR CA . 16084 1 834 . 1 1 75 75 THR CB C 13 70.9 0.5 . 1 . . . . 75 THR CB . 16084 1 835 . 1 1 75 75 THR CG2 C 13 21.1 0.5 . 1 . . . . 75 THR CG2 . 16084 1 836 . 1 1 75 75 THR N N 15 111.4 0.5 . 1 . . . . 75 THR N . 16084 1 837 . 1 1 76 76 GLN H H 1 8.71 0.02 . 1 . . . . 76 GLN HN . 16084 1 838 . 1 1 76 76 GLN HA H 1 3.94 0.02 . 1 . . . . 76 GLN HA . 16084 1 839 . 1 1 76 76 GLN HB2 H 1 2.08 0.02 . 2 . . . . 76 GLN HB2 . 16084 1 840 . 1 1 76 76 GLN HB3 H 1 2.08 0.02 . 2 . . . . 76 GLN HB3 . 16084 1 841 . 1 1 76 76 GLN HE21 H 1 6.86 0.02 . 2 . . . . 76 GLN HE21 . 16084 1 842 . 1 1 76 76 GLN HE22 H 1 7.50 0.02 . 2 . . . . 76 GLN HE22 . 16084 1 843 . 1 1 76 76 GLN HG2 H 1 2.42 0.02 . 2 . . . . 76 GLN HG2 . 16084 1 844 . 1 1 76 76 GLN HG3 H 1 2.41 0.02 . 2 . . . . 76 GLN HG3 . 16084 1 845 . 1 1 76 76 GLN CA C 13 58.7 0.5 . 1 . . . . 76 GLN CA . 16084 1 846 . 1 1 76 76 GLN CB C 13 27.9 0.5 . 1 . . . . 76 GLN CB . 16084 1 847 . 1 1 76 76 GLN CG C 13 33.6 0.5 . 1 . . . . 76 GLN CG . 16084 1 848 . 1 1 76 76 GLN N N 15 123.1 0.5 . 1 . . . . 76 GLN N . 16084 1 849 . 1 1 76 76 GLN NE2 N 15 112.9 0.5 . 1 . . . . 76 GLN NE2 . 16084 1 850 . 1 1 77 77 LYS H H 1 8.24 0.02 . 1 . . . . 77 LYS HN . 16084 1 851 . 1 1 77 77 LYS HA H 1 4.00 0.02 . 1 . . . . 77 LYS HA . 16084 1 852 . 1 1 77 77 LYS HB2 H 1 1.64 0.02 . 2 . . . . 77 LYS HB2 . 16084 1 853 . 1 1 77 77 LYS HB3 H 1 1.79 0.02 . 2 . . . . 77 LYS HB3 . 16084 1 854 . 1 1 77 77 LYS HD2 H 1 1.57 0.02 . 2 . . . . 77 LYS HD2 . 16084 1 855 . 1 1 77 77 LYS HD3 H 1 1.57 0.02 . 2 . . . . 77 LYS HD3 . 16084 1 856 . 1 1 77 77 LYS HE2 H 1 2.86 0.02 . 2 . . . . 77 LYS HE2 . 16084 1 857 . 1 1 77 77 LYS HE3 H 1 2.86 0.02 . 2 . . . . 77 LYS HE3 . 16084 1 858 . 1 1 77 77 LYS HG2 H 1 1.27 0.02 . 2 . . . . 77 LYS HG2 . 16084 1 859 . 1 1 77 77 LYS HG3 H 1 1.34 0.02 . 2 . . . . 77 LYS HG3 . 16084 1 860 . 1 1 77 77 LYS CA C 13 59.2 0.5 . 1 . . . . 77 LYS CA . 16084 1 861 . 1 1 77 77 LYS CB C 13 31.9 0.5 . 1 . . . . 77 LYS CB . 16084 1 862 . 1 1 77 77 LYS CD C 13 28.9 0.5 . 1 . . . . 77 LYS CD . 16084 1 863 . 1 1 77 77 LYS CE C 13 41.9 0.5 . 1 . . . . 77 LYS CE . 16084 1 864 . 1 1 77 77 LYS CG C 13 24.4 0.5 . 1 . . . . 77 LYS CG . 16084 1 865 . 1 1 77 77 LYS N N 15 121.0 0.5 . 1 . . . . 77 LYS N . 16084 1 866 . 1 1 78 78 ASP H H 1 7.39 0.02 . 1 . . . . 78 ASP HN . 16084 1 867 . 1 1 78 78 ASP HA H 1 4.17 0.02 . 1 . . . . 78 ASP HA . 16084 1 868 . 1 1 78 78 ASP HB2 H 1 2.39 0.02 . 2 . . . . 78 ASP HB2 . 16084 1 869 . 1 1 78 78 ASP HB3 H 1 2.65 0.02 . 2 . . . . 78 ASP HB3 . 16084 1 870 . 1 1 78 78 ASP CA C 13 57.0 0.5 . 1 . . . . 78 ASP CA . 16084 1 871 . 1 1 78 78 ASP CB C 13 41.4 0.5 . 1 . . . . 78 ASP CB . 16084 1 872 . 1 1 78 78 ASP N N 15 117.8 0.5 . 1 . . . . 78 ASP N . 16084 1 873 . 1 1 79 79 LEU H H 1 7.69 0.02 . 1 . . . . 79 LEU HN . 16084 1 874 . 1 1 79 79 LEU HA H 1 3.77 0.02 . 1 . . . . 79 LEU HA . 16084 1 875 . 1 1 79 79 LEU HB2 H 1 1.37 0.02 . 2 . . . . 79 LEU HB2 . 16084 1 876 . 1 1 79 79 LEU HB3 H 1 1.84 0.02 . 2 . . . . 79 LEU HB3 . 16084 1 877 . 1 1 79 79 LEU HD11 H 1 0.90 0.02 . 2 . . . . 79 LEU HD1 . 16084 1 878 . 1 1 79 79 LEU HD12 H 1 0.90 0.02 . 2 . . . . 79 LEU HD1 . 16084 1 879 . 1 1 79 79 LEU HD13 H 1 0.90 0.02 . 2 . . . . 79 LEU HD1 . 16084 1 880 . 1 1 79 79 LEU HD21 H 1 0.85 0.02 . 2 . . . . 79 LEU HD2 . 16084 1 881 . 1 1 79 79 LEU HD22 H 1 0.85 0.02 . 2 . . . . 79 LEU HD2 . 16084 1 882 . 1 1 79 79 LEU HD23 H 1 0.85 0.02 . 2 . . . . 79 LEU HD2 . 16084 1 883 . 1 1 79 79 LEU HG H 1 1.44 0.02 . 1 . . . . 79 LEU HG . 16084 1 884 . 1 1 79 79 LEU CA C 13 58.1 0.5 . 1 . . . . 79 LEU CA . 16084 1 885 . 1 1 79 79 LEU CB C 13 42.1 0.5 . 1 . . . . 79 LEU CB . 16084 1 886 . 1 1 79 79 LEU CD1 C 13 25.3 0.5 . 1 . . . . 79 LEU CD1 . 16084 1 887 . 1 1 79 79 LEU CD2 C 13 25.8 0.5 . 1 . . . . 79 LEU CD2 . 16084 1 888 . 1 1 79 79 LEU CG C 13 27.0 0.5 . 1 . . . . 79 LEU CG . 16084 1 889 . 1 1 79 79 LEU N N 15 118.4 0.5 . 1 . . . . 79 LEU N . 16084 1 890 . 1 1 80 80 SER H H 1 8.40 0.02 . 1 . . . . 80 SER HN . 16084 1 891 . 1 1 80 80 SER HA H 1 4.17 0.02 . 1 . . . . 80 SER HA . 16084 1 892 . 1 1 80 80 SER HB2 H 1 3.92 0.02 . 2 . . . . 80 SER HB2 . 16084 1 893 . 1 1 80 80 SER HB3 H 1 3.92 0.02 . 2 . . . . 80 SER HB3 . 16084 1 894 . 1 1 80 80 SER CA C 13 61.5 0.5 . 1 . . . . 80 SER CA . 16084 1 895 . 1 1 80 80 SER CB C 13 62.5 0.5 . 1 . . . . 80 SER CB . 16084 1 896 . 1 1 80 80 SER N N 15 114.0 0.5 . 1 . . . . 80 SER N . 16084 1 897 . 1 1 81 81 GLU H H 1 7.93 0.02 . 1 . . . . 81 GLU HN . 16084 1 898 . 1 1 81 81 GLU HA H 1 4.03 0.02 . 1 . . . . 81 GLU HA . 16084 1 899 . 1 1 81 81 GLU HB2 H 1 1.89 0.02 . 2 . . . . 81 GLU HB2 . 16084 1 900 . 1 1 81 81 GLU HB3 H 1 1.98 0.02 . 2 . . . . 81 GLU HB3 . 16084 1 901 . 1 1 81 81 GLU HG2 H 1 2.00 0.02 . 2 . . . . 81 GLU HG2 . 16084 1 902 . 1 1 81 81 GLU HG3 H 1 2.00 0.02 . 2 . . . . 81 GLU HG3 . 16084 1 903 . 1 1 81 81 GLU CA C 13 59.0 0.5 . 1 . . . . 81 GLU CA . 16084 1 904 . 1 1 81 81 GLU CB C 13 29.0 0.5 . 1 . . . . 81 GLU CB . 16084 1 905 . 1 1 81 81 GLU CG C 13 36.0 0.5 . 1 . . . . 81 GLU CG . 16084 1 906 . 1 1 81 81 GLU N N 15 121.0 0.5 . 1 . . . . 81 GLU N . 16084 1 907 . 1 1 82 82 LEU H H 1 7.87 0.02 . 1 . . . . 82 LEU HN . 16084 1 908 . 1 1 82 82 LEU HA H 1 3.89 0.02 . 1 . . . . 82 LEU HA . 16084 1 909 . 1 1 82 82 LEU HB2 H 1 1.98 0.02 . 2 . . . . 82 LEU HB2 . 16084 1 910 . 1 1 82 82 LEU HB3 H 1 1.37 0.02 . 2 . . . . 82 LEU HB3 . 16084 1 911 . 1 1 82 82 LEU HD11 H 1 0.73 0.02 . 2 . . . . 82 LEU HD1 . 16084 1 912 . 1 1 82 82 LEU HD12 H 1 0.73 0.02 . 2 . . . . 82 LEU HD1 . 16084 1 913 . 1 1 82 82 LEU HD13 H 1 0.73 0.02 . 2 . . . . 82 LEU HD1 . 16084 1 914 . 1 1 82 82 LEU HD21 H 1 1.24 0.02 . 2 . . . . 82 LEU HD2 . 16084 1 915 . 1 1 82 82 LEU HD22 H 1 1.24 0.02 . 2 . . . . 82 LEU HD2 . 16084 1 916 . 1 1 82 82 LEU HD23 H 1 1.24 0.02 . 2 . . . . 82 LEU HD2 . 16084 1 917 . 1 1 82 82 LEU HG H 1 1.95 0.02 . 1 . . . . 82 LEU HG . 16084 1 918 . 1 1 82 82 LEU CA C 13 57.9 0.5 . 1 . . . . 82 LEU CA . 16084 1 919 . 1 1 82 82 LEU CB C 13 43.9 0.5 . 1 . . . . 82 LEU CB . 16084 1 920 . 1 1 82 82 LEU CD1 C 13 25.1 0.5 . 1 . . . . 82 LEU CD1 . 16084 1 921 . 1 1 82 82 LEU CD2 C 13 23.9 0.5 . 1 . . . . 82 LEU CD2 . 16084 1 922 . 1 1 82 82 LEU CG C 13 27.5 0.5 . 1 . . . . 82 LEU CG . 16084 1 923 . 1 1 82 82 LEU N N 15 120.9 0.5 . 1 . . . . 82 LEU N . 16084 1 924 . 1 1 83 83 GLN H H 1 8.52 0.02 . 1 . . . . 83 GLN HN . 16084 1 925 . 1 1 83 83 GLN HA H 1 3.90 0.02 . 1 . . . . 83 GLN HA . 16084 1 926 . 1 1 83 83 GLN HB2 H 1 2.22 0.02 . 2 . . . . 83 GLN HB2 . 16084 1 927 . 1 1 83 83 GLN HB3 H 1 1.95 0.02 . 2 . . . . 83 GLN HB3 . 16084 1 928 . 1 1 83 83 GLN HE21 H 1 7.10 0.02 . 2 . . . . 83 GLN HE21 . 16084 1 929 . 1 1 83 83 GLN HE22 H 1 6.81 0.02 . 2 . . . . 83 GLN HE22 . 16084 1 930 . 1 1 83 83 GLN HG2 H 1 2.27 0.02 . 2 . . . . 83 GLN HG2 . 16084 1 931 . 1 1 83 83 GLN HG3 H 1 2.53 0.02 . 2 . . . . 83 GLN HG3 . 16084 1 932 . 1 1 83 83 GLN CA C 13 59.2 0.5 . 1 . . . . 83 GLN CA . 16084 1 933 . 1 1 83 83 GLN CB C 13 28.3 0.5 . 1 . . . . 83 GLN CB . 16084 1 934 . 1 1 83 83 GLN CG C 13 34.4 0.5 . 1 . . . . 83 GLN CG . 16084 1 935 . 1 1 83 83 GLN N N 15 118.3 0.5 . 1 . . . . 83 GLN N . 16084 1 936 . 1 1 83 83 GLN NE2 N 15 110.2 0.5 . 1 . . . . 83 GLN NE2 . 16084 1 937 . 1 1 84 84 ASP H H 1 8.14 0.02 . 1 . . . . 84 ASP HN . 16084 1 938 . 1 1 84 84 ASP HA H 1 4.34 0.02 . 1 . . . . 84 ASP HA . 16084 1 939 . 1 1 84 84 ASP HB2 H 1 2.57 0.02 . 2 . . . . 84 ASP HB2 . 16084 1 940 . 1 1 84 84 ASP HB3 H 1 2.73 0.02 . 2 . . . . 84 ASP HB3 . 16084 1 941 . 1 1 84 84 ASP CA C 13 57.1 0.5 . 1 . . . . 84 ASP CA . 16084 1 942 . 1 1 84 84 ASP CB C 13 41.0 0.5 . 1 . . . . 84 ASP CB . 16084 1 943 . 1 1 84 84 ASP N N 15 119.7 0.5 . 1 . . . . 84 ASP N . 16084 1 944 . 1 1 85 85 ALA H H 1 7.74 0.02 . 1 . . . . 85 ALA HN . 16084 1 945 . 1 1 85 85 ALA HA H 1 3.81 0.02 . 1 . . . . 85 ALA HA . 16084 1 946 . 1 1 85 85 ALA HB1 H 1 0.78 0.02 . 1 . . . . 85 ALA HB . 16084 1 947 . 1 1 85 85 ALA HB2 H 1 0.78 0.02 . 1 . . . . 85 ALA HB . 16084 1 948 . 1 1 85 85 ALA HB3 H 1 0.78 0.02 . 1 . . . . 85 ALA HB . 16084 1 949 . 1 1 85 85 ALA CA C 13 54.6 0.5 . 1 . . . . 85 ALA CA . 16084 1 950 . 1 1 85 85 ALA CB C 13 16.2 0.5 . 1 . . . . 85 ALA CB . 16084 1 951 . 1 1 85 85 ALA N N 15 121.6 0.5 . 1 . . . . 85 ALA N . 16084 1 952 . 1 1 86 86 LYS H H 1 8.07 0.02 . 1 . . . . 86 LYS HN . 16084 1 953 . 1 1 86 86 LYS HA H 1 3.81 0.02 . 1 . . . . 86 LYS HA . 16084 1 954 . 1 1 86 86 LYS HB2 H 1 1.70 0.02 . 2 . . . . 86 LYS HB2 . 16084 1 955 . 1 1 86 86 LYS HB3 H 1 1.93 0.02 . 2 . . . . 86 LYS HB3 . 16084 1 956 . 1 1 86 86 LYS HD2 H 1 1.59 0.02 . 2 . . . . 86 LYS HD2 . 16084 1 957 . 1 1 86 86 LYS HD3 H 1 1.59 0.02 . 2 . . . . 86 LYS HD3 . 16084 1 958 . 1 1 86 86 LYS HE2 H 1 3.10 0.02 . 2 . . . . 86 LYS HE2 . 16084 1 959 . 1 1 86 86 LYS HE3 H 1 2.89 0.02 . 2 . . . . 86 LYS HE3 . 16084 1 960 . 1 1 86 86 LYS HG2 H 1 1.41 0.02 . 2 . . . . 86 LYS HG2 . 16084 1 961 . 1 1 86 86 LYS HG3 H 1 1.63 0.02 . 2 . . . . 86 LYS HG3 . 16084 1 962 . 1 1 86 86 LYS CA C 13 60.6 0.5 . 1 . . . . 86 LYS CA . 16084 1 963 . 1 1 86 86 LYS CB C 13 33.3 0.5 . 1 . . . . 86 LYS CB . 16084 1 964 . 1 1 86 86 LYS CD C 13 30.7 0.5 . 1 . . . . 86 LYS CD . 16084 1 965 . 1 1 86 86 LYS CE C 13 41.9 0.5 . 1 . . . . 86 LYS CE . 16084 1 966 . 1 1 86 86 LYS CG C 13 25.4 0.5 . 1 . . . . 86 LYS CG . 16084 1 967 . 1 1 86 86 LYS N N 15 120.2 0.5 . 1 . . . . 86 LYS N . 16084 1 968 . 1 1 87 87 LEU H H 1 7.78 0.02 . 1 . . . . 87 LEU HN . 16084 1 969 . 1 1 87 87 LEU HA H 1 4.16 0.02 . 1 . . . . 87 LEU HA . 16084 1 970 . 1 1 87 87 LEU HB2 H 1 1.62 0.02 . 2 . . . . 87 LEU HB2 . 16084 1 971 . 1 1 87 87 LEU HB3 H 1 1.74 0.02 . 2 . . . . 87 LEU HB3 . 16084 1 972 . 1 1 87 87 LEU HD11 H 1 0.87 0.02 . 2 . . . . 87 LEU HD1 . 16084 1 973 . 1 1 87 87 LEU HD12 H 1 0.87 0.02 . 2 . . . . 87 LEU HD1 . 16084 1 974 . 1 1 87 87 LEU HD13 H 1 0.87 0.02 . 2 . . . . 87 LEU HD1 . 16084 1 975 . 1 1 87 87 LEU HD21 H 1 0.86 0.02 . 2 . . . . 87 LEU HD2 . 16084 1 976 . 1 1 87 87 LEU HD22 H 1 0.86 0.02 . 2 . . . . 87 LEU HD2 . 16084 1 977 . 1 1 87 87 LEU HD23 H 1 0.86 0.02 . 2 . . . . 87 LEU HD2 . 16084 1 978 . 1 1 87 87 LEU HG H 1 1.66 0.02 . 1 . . . . 87 LEU HG . 16084 1 979 . 1 1 87 87 LEU CA C 13 57.5 0.5 . 1 . . . . 87 LEU CA . 16084 1 980 . 1 1 87 87 LEU CB C 13 41.9 0.5 . 1 . . . . 87 LEU CB . 16084 1 981 . 1 1 87 87 LEU CD1 C 13 24.5 0.5 . 1 . . . . 87 LEU CD1 . 16084 1 982 . 1 1 87 87 LEU CD2 C 13 24.1 0.5 . 1 . . . . 87 LEU CD2 . 16084 1 983 . 1 1 87 87 LEU CG C 13 26.7 0.5 . 1 . . . . 87 LEU CG . 16084 1 984 . 1 1 87 87 LEU N N 15 118.4 0.5 . 1 . . . . 87 LEU N . 16084 1 985 . 1 1 88 88 LYS H H 1 7.90 0.02 . 1 . . . . 88 LYS HN . 16084 1 986 . 1 1 88 88 LYS HA H 1 3.96 0.02 . 1 . . . . 88 LYS HA . 16084 1 987 . 1 1 88 88 LYS HB2 H 1 1.79 0.02 . 2 . . . . 88 LYS HB2 . 16084 1 988 . 1 1 88 88 LYS HB3 H 1 1.81 0.02 . 2 . . . . 88 LYS HB3 . 16084 1 989 . 1 1 88 88 LYS HD2 H 1 1.61 0.02 . 2 . . . . 88 LYS HD2 . 16084 1 990 . 1 1 88 88 LYS HD3 H 1 1.60 0.02 . 2 . . . . 88 LYS HD3 . 16084 1 991 . 1 1 88 88 LYS HE2 H 1 2.94 0.02 . 2 . . . . 88 LYS HE2 . 16084 1 992 . 1 1 88 88 LYS HE3 H 1 2.94 0.02 . 2 . . . . 88 LYS HE3 . 16084 1 993 . 1 1 88 88 LYS HG2 H 1 1.50 0.02 . 2 . . . . 88 LYS HG2 . 16084 1 994 . 1 1 88 88 LYS HG3 H 1 1.38 0.02 . 2 . . . . 88 LYS HG3 . 16084 1 995 . 1 1 88 88 LYS CA C 13 59.2 0.5 . 1 . . . . 88 LYS CA . 16084 1 996 . 1 1 88 88 LYS CB C 13 32.0 0.5 . 1 . . . . 88 LYS CB . 16084 1 997 . 1 1 88 88 LYS CD C 13 28.9 0.5 . 1 . . . . 88 LYS CD . 16084 1 998 . 1 1 88 88 LYS CE C 13 41.8 0.5 . 1 . . . . 88 LYS CE . 16084 1 999 . 1 1 88 88 LYS CG C 13 25.4 0.5 . 1 . . . . 88 LYS CG . 16084 1 1000 . 1 1 88 88 LYS N N 15 118.7 0.5 . 1 . . . . 88 LYS N . 16084 1 1001 . 1 1 89 89 ALA H H 1 8.00 0.02 . 1 . . . . 89 ALA HN . 16084 1 1002 . 1 1 89 89 ALA HA H 1 4.15 0.02 . 1 . . . . 89 ALA HA . 16084 1 1003 . 1 1 89 89 ALA HB1 H 1 1.53 0.02 . 1 . . . . 89 ALA HB . 16084 1 1004 . 1 1 89 89 ALA HB2 H 1 1.53 0.02 . 1 . . . . 89 ALA HB . 16084 1 1005 . 1 1 89 89 ALA HB3 H 1 1.53 0.02 . 1 . . . . 89 ALA HB . 16084 1 1006 . 1 1 89 89 ALA CA C 13 54.5 0.5 . 1 . . . . 89 ALA CA . 16084 1 1007 . 1 1 89 89 ALA CB C 13 17.8 0.5 . 1 . . . . 89 ALA CB . 16084 1 1008 . 1 1 89 89 ALA N N 15 122.4 0.5 . 1 . . . . 89 ALA N . 16084 1 1009 . 1 1 90 90 GLU H H 1 8.30 0.02 . 1 . . . . 90 GLU HN . 16084 1 1010 . 1 1 90 90 GLU HA H 1 3.93 0.02 . 1 . . . . 90 GLU HA . 16084 1 1011 . 1 1 90 90 GLU HB2 H 1 2.24 0.02 . 2 . . . . 90 GLU HB2 . 16084 1 1012 . 1 1 90 90 GLU HB3 H 1 1.98 0.02 . 2 . . . . 90 GLU HB3 . 16084 1 1013 . 1 1 90 90 GLU HG2 H 1 2.23 0.02 . 2 . . . . 90 GLU HG2 . 16084 1 1014 . 1 1 90 90 GLU HG3 H 1 2.59 0.02 . 2 . . . . 90 GLU HG3 . 16084 1 1015 . 1 1 90 90 GLU CA C 13 58.0 0.5 . 1 . . . . 90 GLU CA . 16084 1 1016 . 1 1 90 90 GLU CB C 13 29.7 0.5 . 1 . . . . 90 GLU CB . 16084 1 1017 . 1 1 90 90 GLU CG C 13 37.2 0.5 . 1 . . . . 90 GLU CG . 16084 1 1018 . 1 1 90 90 GLU N N 15 116.7 0.5 . 1 . . . . 90 GLU N . 16084 1 1019 . 1 1 91 91 GLY H H 1 7.71 0.02 . 1 . . . . 91 GLY HN . 16084 1 1020 . 1 1 91 91 GLY HA2 H 1 4.07 0.02 . 2 . . . . 91 GLY HA1 . 16084 1 1021 . 1 1 91 91 GLY HA3 H 1 3.87 0.02 . 2 . . . . 91 GLY HA2 . 16084 1 1022 . 1 1 91 91 GLY CA C 13 45.5 0.5 . 1 . . . . 91 GLY CA . 16084 1 1023 . 1 1 91 91 GLY N N 15 106.0 0.5 . 1 . . . . 91 GLY N . 16084 1 1024 . 1 1 92 92 LEU H H 1 7.64 0.02 . 1 . . . . 92 LEU HN . 16084 1 1025 . 1 1 92 92 LEU HA H 1 4.27 0.02 . 1 . . . . 92 LEU HA . 16084 1 1026 . 1 1 92 92 LEU HB2 H 1 1.76 0.02 . 2 . . . . 92 LEU HB2 . 16084 1 1027 . 1 1 92 92 LEU HB3 H 1 1.52 0.02 . 2 . . . . 92 LEU HB3 . 16084 1 1028 . 1 1 92 92 LEU HD11 H 1 0.91 0.02 . 2 . . . . 92 LEU HD1 . 16084 1 1029 . 1 1 92 92 LEU HD12 H 1 0.91 0.02 . 2 . . . . 92 LEU HD1 . 16084 1 1030 . 1 1 92 92 LEU HD13 H 1 0.91 0.02 . 2 . . . . 92 LEU HD1 . 16084 1 1031 . 1 1 92 92 LEU HD21 H 1 0.84 0.02 . 2 . . . . 92 LEU HD2 . 16084 1 1032 . 1 1 92 92 LEU HD22 H 1 0.84 0.02 . 2 . . . . 92 LEU HD2 . 16084 1 1033 . 1 1 92 92 LEU HD23 H 1 0.84 0.02 . 2 . . . . 92 LEU HD2 . 16084 1 1034 . 1 1 92 92 LEU HG H 1 1.75 0.02 . 1 . . . . 92 LEU HG . 16084 1 1035 . 1 1 92 92 LEU CA C 13 55.2 0.5 . 1 . . . . 92 LEU CA . 16084 1 1036 . 1 1 92 92 LEU CB C 13 42.1 0.5 . 1 . . . . 92 LEU CB . 16084 1 1037 . 1 1 92 92 LEU CD1 C 13 25.2 0.5 . 1 . . . . 92 LEU CD1 . 16084 1 1038 . 1 1 92 92 LEU CD2 C 13 22.7 0.5 . 1 . . . . 92 LEU CD2 . 16084 1 1039 . 1 1 92 92 LEU CG C 13 26.6 0.5 . 1 . . . . 92 LEU CG . 16084 1 1040 . 1 1 92 92 LEU N N 15 121.2 0.5 . 1 . . . . 92 LEU N . 16084 1 1041 . 1 1 93 93 GLU H H 1 8.29 0.02 . 1 . . . . 93 GLU HN . 16084 1 1042 . 1 1 93 93 GLU HA H 1 4.13 0.02 . 1 . . . . 93 GLU HA . 16084 1 1043 . 1 1 93 93 GLU HB2 H 1 1.90 0.02 . 2 . . . . 93 GLU HB2 . 16084 1 1044 . 1 1 93 93 GLU HB3 H 1 1.89 0.02 . 2 . . . . 93 GLU HB3 . 16084 1 1045 . 1 1 93 93 GLU HG2 H 1 2.10 0.02 . 2 . . . . 93 GLU HG2 . 16084 1 1046 . 1 1 93 93 GLU HG3 H 1 2.19 0.02 . 2 . . . . 93 GLU HG3 . 16084 1 1047 . 1 1 93 93 GLU CA C 13 56.7 0.5 . 1 . . . . 93 GLU CA . 16084 1 1048 . 1 1 93 93 GLU CB C 13 29.7 0.5 . 1 . . . . 93 GLU CB . 16084 1 1049 . 1 1 93 93 GLU CG C 13 36.0 0.5 . 1 . . . . 93 GLU CG . 16084 1 1050 . 1 1 93 93 GLU N N 15 120.2 0.5 . 1 . . . . 93 GLU N . 16084 1 1051 . 1 1 94 94 HIS H H 1 8.26 0.02 . 1 . . . . 94 HIS HN . 16084 1 1052 . 1 1 94 94 HIS HA H 1 4.56 0.02 . 1 . . . . 94 HIS HA . 16084 1 1053 . 1 1 94 94 HIS HB2 H 1 3.07 0.02 . 2 . . . . 94 HIS HB2 . 16084 1 1054 . 1 1 94 94 HIS HB3 H 1 3.08 0.02 . 2 . . . . 94 HIS HB3 . 16084 1 1055 . 1 1 94 94 HIS CA C 13 55.4 0.5 . 1 . . . . 94 HIS CA . 16084 1 1056 . 1 1 94 94 HIS CB C 13 29.7 0.5 . 1 . . . . 94 HIS CB . 16084 1 1057 . 1 1 94 94 HIS N N 15 118.9 0.5 . 1 . . . . 94 HIS N . 16084 1 1058 . 1 1 95 95 HIS H H 1 8.17 0.02 . 1 . . . . 95 HIS HN . 16084 1 1059 . 1 1 95 95 HIS HA H 1 4.41 0.02 . 1 . . . . 95 HIS HA . 16084 1 1060 . 1 1 95 95 HIS HB2 H 1 3.19 0.02 . 2 . . . . 95 HIS HB2 . 16084 1 1061 . 1 1 95 95 HIS HB3 H 1 3.18 0.02 . 2 . . . . 95 HIS HB3 . 16084 1 1062 . 1 1 95 95 HIS CA C 13 57.0 0.5 . 1 . . . . 95 HIS CA . 16084 1 1063 . 1 1 95 95 HIS CB C 13 30.0 0.5 . 1 . . . . 95 HIS CB . 16084 1 1064 . 1 1 95 95 HIS N N 15 125.4 0.5 . 1 . . . . 95 HIS N . 16084 1 stop_ save_