data_16029 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16029 _Entry.Title ; Solution NMR structure of ubiquitin-like domain of Arabidopsis thaliana protein At2g32350. Northeast Structural Genomics Consortium target AR3433A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-11-11 _Entry.Accession_date 2008-11-11 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _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 Alexander Eletsky . . . 16029 2 Jeffrey Mills . L. . 16029 3 Dinesh Sukumaran . . . 16029 4 Jia Hua . . . 16029 5 Ritu Shastry . . . 16029 6 Mei Jiang . . . 16029 7 Colleen Ciccosanti . . . 16029 8 Rong Xiao . . . 16029 9 Jinfeng Liu . . . 16029 10 John Everret . K. . 16029 11 G.V.T. Swapna . . . 16029 12 Thomas Acton . B. . 16029 13 Burkhard Rost . . . 16029 14 Gaetano Montelione . T. . 16029 15 Thomas Szyperski . . . 16029 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 16029 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID alpha . 16029 beta . 16029 'ubiquitin fold' . 16029 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16029 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 381 16029 '15N chemical shifts' 91 16029 '1H chemical shifts' 627 16029 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 2 . . 2010-06-02 2008-11-11 update BMRB 'edit assembly name' 16029 1 . . 2009-03-05 2008-11-11 original author 'original release' 16029 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KAN 'BMRB Entry Tracking System' 16029 TargetDB AR3433A . 16029 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16029 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution NMR structure of ubiquitin-like domain of Arabidopsis thaliana protein At2g32350.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Proteins: Struct. Funct. Genet.' _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 Alexander Eletsky . . . 16029 1 2 Jeffrey Mills . L. . 16029 1 3 Dinesh Sukumaran . . . 16029 1 4 Jia Hua . . . 16029 1 5 Ritu Shastry . . . 16029 1 6 Mei Jiang . . . 16029 1 7 Colleen Ciccosanti . . . 16029 1 8 Rong Xiao . . . 16029 1 9 Jinfeng Liu . . . 16029 1 10 John Everret . K. . 16029 1 11 G.V.T. Swapna . . . 16029 1 12 Thomas Acton . B. . 16029 1 13 Burkhard Rost . . . 16029 1 14 Gaetano Montelione . T. . 16029 1 15 Thomas Szyperski . . . 16029 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16029 _Assembly.ID 1 _Assembly.Name At2g32350 _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 ar3433a_protein 1 $ar3433a_protein A . yes native no no . . . 16029 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ar3433a_protein _Entity.Sf_category entity _Entity.Sf_framecode ar3433a_protein _Entity.Entry_ID 16029 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ar3433a_protein _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 ; MGHHHHHHSHAAVRKIHVTV KFPSKQFTVEVDRTETVSSL KDKIHIVENTPIKRMQLYYS GIELADDYRNLNEYGITEFS EIVVFLKSINRAKD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-10 represent a non-native affinity tag. This is a Ubiquitin-like domain (70-153) of At2g32350 protein' _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 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11005.629 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KAN . "Solution Nmr Structure Of Ubiquitin-Like Domain Of Arabidopsis Thaliana Protein At2g32350. Northeast Structural Genomics Consor" . . . . . 100.00 94 100.00 100.00 6.24e-61 . . . . 16029 1 2 no PDB 2N4F . "Ec-nmr Structure Of Arabidopsis Thaliana At2g32350 Determined By Combining Evolutionary Couplings (ec) And Sparse Nmr Data. Nor" . . . . . 100.00 94 100.00 100.00 6.24e-61 . . . . 16029 1 3 no GB AAC69943 . "hypothetical protein [Arabidopsis thaliana]" . . . . . 90.43 233 100.00 100.00 7.64e-52 . . . . 16029 1 4 no GB AEC08672 . "ubiquitin-like domain-containing protein [Arabidopsis thaliana]" . . . . . 90.43 242 100.00 100.00 7.66e-52 . . . . 16029 1 5 no REF NP_180794 . "ubiquitin-like superfamily protein [Arabidopsis thaliana]" . . . . . 90.43 242 100.00 100.00 7.66e-52 . . . . 16029 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16029 1 2 . GLY . 16029 1 3 . HIS . 16029 1 4 . HIS . 16029 1 5 . HIS . 16029 1 6 . HIS . 16029 1 7 . HIS . 16029 1 8 . HIS . 16029 1 9 . SER . 16029 1 10 . HIS . 16029 1 11 . ALA . 16029 1 12 . ALA . 16029 1 13 . VAL . 16029 1 14 . ARG . 16029 1 15 . LYS . 16029 1 16 . ILE . 16029 1 17 . HIS . 16029 1 18 . VAL . 16029 1 19 . THR . 16029 1 20 . VAL . 16029 1 21 . LYS . 16029 1 22 . PHE . 16029 1 23 . PRO . 16029 1 24 . SER . 16029 1 25 . LYS . 16029 1 26 . GLN . 16029 1 27 . PHE . 16029 1 28 . THR . 16029 1 29 . VAL . 16029 1 30 . GLU . 16029 1 31 . VAL . 16029 1 32 . ASP . 16029 1 33 . ARG . 16029 1 34 . THR . 16029 1 35 . GLU . 16029 1 36 . THR . 16029 1 37 . VAL . 16029 1 38 . SER . 16029 1 39 . SER . 16029 1 40 . LEU . 16029 1 41 . LYS . 16029 1 42 . ASP . 16029 1 43 . LYS . 16029 1 44 . ILE . 16029 1 45 . HIS . 16029 1 46 . ILE . 16029 1 47 . VAL . 16029 1 48 . GLU . 16029 1 49 . ASN . 16029 1 50 . THR . 16029 1 51 . PRO . 16029 1 52 . ILE . 16029 1 53 . LYS . 16029 1 54 . ARG . 16029 1 55 . MET . 16029 1 56 . GLN . 16029 1 57 . LEU . 16029 1 58 . TYR . 16029 1 59 . TYR . 16029 1 60 . SER . 16029 1 61 . GLY . 16029 1 62 . ILE . 16029 1 63 . GLU . 16029 1 64 . LEU . 16029 1 65 . ALA . 16029 1 66 . ASP . 16029 1 67 . ASP . 16029 1 68 . TYR . 16029 1 69 . ARG . 16029 1 70 . ASN . 16029 1 71 . LEU . 16029 1 72 . ASN . 16029 1 73 . GLU . 16029 1 74 . TYR . 16029 1 75 . GLY . 16029 1 76 . ILE . 16029 1 77 . THR . 16029 1 78 . GLU . 16029 1 79 . PHE . 16029 1 80 . SER . 16029 1 81 . GLU . 16029 1 82 . ILE . 16029 1 83 . VAL . 16029 1 84 . VAL . 16029 1 85 . PHE . 16029 1 86 . LEU . 16029 1 87 . LYS . 16029 1 88 . SER . 16029 1 89 . ILE . 16029 1 90 . ASN . 16029 1 91 . ARG . 16029 1 92 . ALA . 16029 1 93 . LYS . 16029 1 94 . ASP . 16029 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16029 1 . GLY 2 2 16029 1 . HIS 3 3 16029 1 . HIS 4 4 16029 1 . HIS 5 5 16029 1 . HIS 6 6 16029 1 . HIS 7 7 16029 1 . HIS 8 8 16029 1 . SER 9 9 16029 1 . HIS 10 10 16029 1 . ALA 11 11 16029 1 . ALA 12 12 16029 1 . VAL 13 13 16029 1 . ARG 14 14 16029 1 . LYS 15 15 16029 1 . ILE 16 16 16029 1 . HIS 17 17 16029 1 . VAL 18 18 16029 1 . THR 19 19 16029 1 . VAL 20 20 16029 1 . LYS 21 21 16029 1 . PHE 22 22 16029 1 . PRO 23 23 16029 1 . SER 24 24 16029 1 . LYS 25 25 16029 1 . GLN 26 26 16029 1 . PHE 27 27 16029 1 . THR 28 28 16029 1 . VAL 29 29 16029 1 . GLU 30 30 16029 1 . VAL 31 31 16029 1 . ASP 32 32 16029 1 . ARG 33 33 16029 1 . THR 34 34 16029 1 . GLU 35 35 16029 1 . THR 36 36 16029 1 . VAL 37 37 16029 1 . SER 38 38 16029 1 . SER 39 39 16029 1 . LEU 40 40 16029 1 . LYS 41 41 16029 1 . ASP 42 42 16029 1 . LYS 43 43 16029 1 . ILE 44 44 16029 1 . HIS 45 45 16029 1 . ILE 46 46 16029 1 . VAL 47 47 16029 1 . GLU 48 48 16029 1 . ASN 49 49 16029 1 . THR 50 50 16029 1 . PRO 51 51 16029 1 . ILE 52 52 16029 1 . LYS 53 53 16029 1 . ARG 54 54 16029 1 . MET 55 55 16029 1 . GLN 56 56 16029 1 . LEU 57 57 16029 1 . TYR 58 58 16029 1 . TYR 59 59 16029 1 . SER 60 60 16029 1 . GLY 61 61 16029 1 . ILE 62 62 16029 1 . GLU 63 63 16029 1 . LEU 64 64 16029 1 . ALA 65 65 16029 1 . ASP 66 66 16029 1 . ASP 67 67 16029 1 . TYR 68 68 16029 1 . ARG 69 69 16029 1 . ASN 70 70 16029 1 . LEU 71 71 16029 1 . ASN 72 72 16029 1 . GLU 73 73 16029 1 . TYR 74 74 16029 1 . GLY 75 75 16029 1 . ILE 76 76 16029 1 . THR 77 77 16029 1 . GLU 78 78 16029 1 . PHE 79 79 16029 1 . SER 80 80 16029 1 . GLU 81 81 16029 1 . ILE 82 82 16029 1 . VAL 83 83 16029 1 . VAL 84 84 16029 1 . PHE 85 85 16029 1 . LEU 86 86 16029 1 . LYS 87 87 16029 1 . SER 88 88 16029 1 . ILE 89 89 16029 1 . ASN 90 90 16029 1 . ARG 91 91 16029 1 . ALA 92 92 16029 1 . LYS 93 93 16029 1 . ASP 94 94 16029 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 16029 _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 $ar3433a_protein . 3702 organism . 'Arabidopsis thaliana' 'thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . At2g32350 . . . . 16029 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 16029 _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 $ar3433a_protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3)+ Magic' . . . . . . . . . . . . . . . 'pET 14-15C' . . . . . . 16029 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC _Sample.Sf_category sample _Sample.Sf_framecode NC _Sample.Entry_ID 16029 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'ar3433a protein' '[U-100% 13C; U-100% 15N]' . . 1 $ar3433a_protein . . 1.09 . . mM . . . . 16029 1 2 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 16029 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 16029 1 4 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16029 1 5 'calcium cloride' 'natural abundance' . . . . . . 5 . . mM . . . . 16029 1 6 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16029 1 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16029 1 8 'protease inhibitors' 'natural abundance' . . . . . . 1 . . X . . . . 16029 1 9 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16029 1 10 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16029 1 stop_ save_ save_NC5 _Sample.Sf_category sample _Sample.Sf_framecode NC5 _Sample.Entry_ID 16029 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'ar3433a protein' '[U-5% 13C; U-100% 15N]' . . 1 $ar3433a_protein . . 1.15 . . mM . . . . 16029 2 2 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 16029 2 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 16029 2 4 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16029 2 5 'calcium cloride' 'natural abundance' . . . . . . 5 . . mM . . . . 16029 2 6 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16029 2 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16029 2 8 'protease inhibitors' 'natural abundance' . . . . . . 1 . . X . . . . 16029 2 9 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16029 2 10 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16029 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 16029 _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' 215 . mM 16029 1 pH 6.5 . pH 16029 1 pressure 1 . atm 16029 1 temperature 298 . K 16029 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 16029 _Software.ID 1 _Software.Name VNMRJ _Software.Version 2.1B _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16029 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16029 1 stop_ save_ save_PROSA _Software.Sf_category software _Software.Sf_framecode PROSA _Software.Entry_ID 16029 _Software.ID 2 _Software.Name PROSA _Software.Version 6.0.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Guntert . . 16029 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16029 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16029 _Software.ID 3 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 16029 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16029 3 'data analysis' 16029 3 'peak picking' 16029 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 16029 _Software.ID 4 _Software.Name AutoAssign _Software.Version 1.15.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 16029 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16029 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 16029 _Software.ID 5 _Software.Name TALOS _Software.Version 2003.027.13.05 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 16029 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16029 5 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16029 _Software.ID 6 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16029 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16029 6 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 16029 _Software.ID 7 _Software.Name AutoStruct _Software.Version 2.2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 16029 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16029 7 'structure validation' 16029 7 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16029 _Software.ID 8 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16029 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16029 8 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 16029 _Software.ID 9 _Software.Name PSVS _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 16029 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 16029 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 16029 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16029 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 16029 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 500 . . . 16029 1 2 spectrometer_2 Varian INOVA . 750 . . . 16029 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 16029 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16029 1 2 '2D 1H-13C HSQC (ali)' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16029 1 3 '2D 1H-13C CT-HSQC (ali)' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16029 1 4 '2D 1H-13C HSQC (aro)' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16029 1 5 '3D HNCO' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16029 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16029 1 7 '3D HNCACB' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16029 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16029 1 9 '3D HCCH-COSY (ali)' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16029 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16029 1 11 '(4,3)D GFT HCCH-COSY (aro)' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16029 1 12 '3D HCCH-COSY (aro)' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16029 1 13 '3D 1H-15N,13Cali,13Caro NOESY' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16029 1 14 '2D 1H-15N LR-HSQC (His)' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16029 1 15 '2D 1H-13C CT-HSQC (ali)' no . . . . . . . . . . 2 $NC5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16029 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 16029 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16029 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16029 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16029 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 16029 _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 5 '3D HNCO' . . . 16029 1 13 '3D 1H-15N,13Cali,13Caro NOESY' . . . 16029 1 14 '2D 1H-15N LR-HSQC (His)' . . . 16029 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 11 11 ALA HA H 1 4.252 0.020 . 1 . . . . 11 ALA HA . 16029 1 2 . 1 1 11 11 ALA HB1 H 1 1.370 0.020 . 1 . . . . 11 ALA HB . 16029 1 3 . 1 1 11 11 ALA HB2 H 1 1.370 0.020 . 1 . . . . 11 ALA HB . 16029 1 4 . 1 1 11 11 ALA HB3 H 1 1.370 0.020 . 1 . . . . 11 ALA HB . 16029 1 5 . 1 1 11 11 ALA CA C 13 52.471 0.400 . 1 . . . . 11 ALA CA . 16029 1 6 . 1 1 11 11 ALA CB C 13 19.020 0.400 . 1 . . . . 11 ALA CB . 16029 1 7 . 1 1 12 12 ALA H H 1 8.179 0.020 . 1 . . . . 12 ALA H . 16029 1 8 . 1 1 12 12 ALA HA H 1 4.291 0.020 . 1 . . . . 12 ALA HA . 16029 1 9 . 1 1 12 12 ALA HB1 H 1 1.364 0.020 . 1 . . . . 12 ALA HB . 16029 1 10 . 1 1 12 12 ALA HB2 H 1 1.364 0.020 . 1 . . . . 12 ALA HB . 16029 1 11 . 1 1 12 12 ALA HB3 H 1 1.364 0.020 . 1 . . . . 12 ALA HB . 16029 1 12 . 1 1 12 12 ALA C C 13 177.662 0.400 . 1 . . . . 12 ALA C . 16029 1 13 . 1 1 12 12 ALA CA C 13 52.444 0.400 . 1 . . . . 12 ALA CA . 16029 1 14 . 1 1 12 12 ALA CB C 13 18.943 0.400 . 1 . . . . 12 ALA CB . 16029 1 15 . 1 1 12 12 ALA N N 15 123.114 0.400 . 1 . . . . 12 ALA N . 16029 1 16 . 1 1 13 13 VAL H H 1 8.006 0.020 . 1 . . . . 13 VAL H . 16029 1 17 . 1 1 13 13 VAL HA H 1 4.100 0.020 . 1 . . . . 13 VAL HA . 16029 1 18 . 1 1 13 13 VAL HB H 1 2.077 0.020 . 1 . . . . 13 VAL HB . 16029 1 19 . 1 1 13 13 VAL HG11 H 1 0.935 0.020 . 2 . . . . 13 VAL HG1 . 16029 1 20 . 1 1 13 13 VAL HG12 H 1 0.935 0.020 . 2 . . . . 13 VAL HG1 . 16029 1 21 . 1 1 13 13 VAL HG13 H 1 0.935 0.020 . 2 . . . . 13 VAL HG1 . 16029 1 22 . 1 1 13 13 VAL HG21 H 1 0.935 0.020 . 2 . . . . 13 VAL HG2 . 16029 1 23 . 1 1 13 13 VAL HG22 H 1 0.935 0.020 . 2 . . . . 13 VAL HG2 . 16029 1 24 . 1 1 13 13 VAL HG23 H 1 0.935 0.020 . 2 . . . . 13 VAL HG2 . 16029 1 25 . 1 1 13 13 VAL C C 13 175.990 0.400 . 1 . . . . 13 VAL C . 16029 1 26 . 1 1 13 13 VAL CA C 13 62.182 0.400 . 1 . . . . 13 VAL CA . 16029 1 27 . 1 1 13 13 VAL CB C 13 32.442 0.400 . 1 . . . . 13 VAL CB . 16029 1 28 . 1 1 13 13 VAL CG1 C 13 20.732 0.400 . 1 . . . . 13 VAL CG1 . 16029 1 29 . 1 1 13 13 VAL N N 15 119.213 0.400 . 1 . . . . 13 VAL N . 16029 1 30 . 1 1 14 14 ARG H H 1 8.329 0.020 . 1 . . . . 14 ARG H . 16029 1 31 . 1 1 14 14 ARG HA H 1 4.344 0.020 . 1 . . . . 14 ARG HA . 16029 1 32 . 1 1 14 14 ARG HB2 H 1 1.783 0.020 . 1 . . . . 14 ARG HB2 . 16029 1 33 . 1 1 14 14 ARG HB3 H 1 1.868 0.020 . 1 . . . . 14 ARG HB3 . 16029 1 34 . 1 1 14 14 ARG HD2 H 1 3.202 0.020 . 2 . . . . 14 ARG HD2 . 16029 1 35 . 1 1 14 14 ARG HD3 H 1 3.202 0.020 . 2 . . . . 14 ARG HD3 . 16029 1 36 . 1 1 14 14 ARG HG2 H 1 1.625 0.020 . 2 . . . . 14 ARG HG2 . 16029 1 37 . 1 1 14 14 ARG HG3 H 1 1.625 0.020 . 2 . . . . 14 ARG HG3 . 16029 1 38 . 1 1 14 14 ARG C C 13 175.844 0.400 . 1 . . . . 14 ARG C . 16029 1 39 . 1 1 14 14 ARG CA C 13 56.071 0.400 . 1 . . . . 14 ARG CA . 16029 1 40 . 1 1 14 14 ARG CB C 13 31.099 0.400 . 1 . . . . 14 ARG CB . 16029 1 41 . 1 1 14 14 ARG CD C 13 43.268 0.400 . 1 . . . . 14 ARG CD . 16029 1 42 . 1 1 14 14 ARG CG C 13 26.968 0.400 . 1 . . . . 14 ARG CG . 16029 1 43 . 1 1 14 14 ARG N N 15 125.039 0.400 . 1 . . . . 14 ARG N . 16029 1 44 . 1 1 15 15 LYS H H 1 8.147 0.020 . 1 . . . . 15 LYS H . 16029 1 45 . 1 1 15 15 LYS HA H 1 4.552 0.020 . 1 . . . . 15 LYS HA . 16029 1 46 . 1 1 15 15 LYS HB2 H 1 1.505 0.020 . 2 . . . . 15 LYS HB2 . 16029 1 47 . 1 1 15 15 LYS HB3 H 1 1.600 0.020 . 2 . . . . 15 LYS HB3 . 16029 1 48 . 1 1 15 15 LYS HD2 H 1 1.419 0.020 . 2 . . . . 15 LYS HD2 . 16029 1 49 . 1 1 15 15 LYS HD3 H 1 1.500 0.020 . 2 . . . . 15 LYS HD3 . 16029 1 50 . 1 1 15 15 LYS HE2 H 1 2.894 0.020 . 2 . . . . 15 LYS HE2 . 16029 1 51 . 1 1 15 15 LYS HE3 H 1 2.894 0.020 . 2 . . . . 15 LYS HE3 . 16029 1 52 . 1 1 15 15 LYS HG2 H 1 1.412 0.020 . 2 . . . . 15 LYS HG2 . 16029 1 53 . 1 1 15 15 LYS HG3 H 1 1.273 0.020 . 2 . . . . 15 LYS HG3 . 16029 1 54 . 1 1 15 15 LYS C C 13 176.186 0.400 . 1 . . . . 15 LYS C . 16029 1 55 . 1 1 15 15 LYS CA C 13 55.632 0.400 . 1 . . . . 15 LYS CA . 16029 1 56 . 1 1 15 15 LYS CB C 13 33.543 0.400 . 1 . . . . 15 LYS CB . 16029 1 57 . 1 1 15 15 LYS CD C 13 28.908 0.400 . 1 . . . . 15 LYS CD . 16029 1 58 . 1 1 15 15 LYS CE C 13 42.032 0.400 . 1 . . . . 15 LYS CE . 16029 1 59 . 1 1 15 15 LYS CG C 13 25.102 0.400 . 1 . . . . 15 LYS CG . 16029 1 60 . 1 1 15 15 LYS N N 15 121.711 0.400 . 1 . . . . 15 LYS N . 16029 1 61 . 1 1 16 16 ILE H H 1 8.764 0.020 . 1 . . . . 16 ILE H . 16029 1 62 . 1 1 16 16 ILE HA H 1 4.508 0.020 . 1 . . . . 16 ILE HA . 16029 1 63 . 1 1 16 16 ILE HB H 1 1.531 0.020 . 1 . . . . 16 ILE HB . 16029 1 64 . 1 1 16 16 ILE HD11 H 1 0.457 0.020 . 1 . . . . 16 ILE HD1 . 16029 1 65 . 1 1 16 16 ILE HD12 H 1 0.457 0.020 . 1 . . . . 16 ILE HD1 . 16029 1 66 . 1 1 16 16 ILE HD13 H 1 0.457 0.020 . 1 . . . . 16 ILE HD1 . 16029 1 67 . 1 1 16 16 ILE HG12 H 1 0.813 0.020 . 2 . . . . 16 ILE HG12 . 16029 1 68 . 1 1 16 16 ILE HG13 H 1 1.211 0.020 . 2 . . . . 16 ILE HG13 . 16029 1 69 . 1 1 16 16 ILE HG21 H 1 0.754 0.020 . 1 . . . . 16 ILE HG2 . 16029 1 70 . 1 1 16 16 ILE HG22 H 1 0.754 0.020 . 1 . . . . 16 ILE HG2 . 16029 1 71 . 1 1 16 16 ILE HG23 H 1 0.754 0.020 . 1 . . . . 16 ILE HG2 . 16029 1 72 . 1 1 16 16 ILE C C 13 174.333 0.400 . 1 . . . . 16 ILE C . 16029 1 73 . 1 1 16 16 ILE CA C 13 59.343 0.400 . 1 . . . . 16 ILE CA . 16029 1 74 . 1 1 16 16 ILE CB C 13 41.575 0.400 . 1 . . . . 16 ILE CB . 16029 1 75 . 1 1 16 16 ILE CD1 C 13 13.175 0.400 . 1 . . . . 16 ILE CD1 . 16029 1 76 . 1 1 16 16 ILE CG1 C 13 25.944 0.400 . 1 . . . . 16 ILE CG1 . 16029 1 77 . 1 1 16 16 ILE CG2 C 13 18.009 0.400 . 1 . . . . 16 ILE CG2 . 16029 1 78 . 1 1 16 16 ILE N N 15 116.484 0.400 . 1 . . . . 16 ILE N . 16029 1 79 . 1 1 17 17 HIS H H 1 8.659 0.020 . 1 . . . . 17 HIS H . 16029 1 80 . 1 1 17 17 HIS HA H 1 5.130 0.020 . 1 . . . . 17 HIS HA . 16029 1 81 . 1 1 17 17 HIS HB2 H 1 2.738 0.020 . 2 . . . . 17 HIS HB2 . 16029 1 82 . 1 1 17 17 HIS HB3 H 1 2.738 0.020 . 2 . . . . 17 HIS HB3 . 16029 1 83 . 1 1 17 17 HIS HD2 H 1 7.019 0.020 . 1 . . . . 17 HIS HD2 . 16029 1 84 . 1 1 17 17 HIS HE1 H 1 8.268 0.020 . 1 . . . . 17 HIS HE1 . 16029 1 85 . 1 1 17 17 HIS C C 13 174.788 0.400 . 1 . . . . 17 HIS C . 16029 1 86 . 1 1 17 17 HIS CA C 13 55.562 0.400 . 1 . . . . 17 HIS CA . 16029 1 87 . 1 1 17 17 HIS CB C 13 30.047 0.400 . 1 . . . . 17 HIS CB . 16029 1 88 . 1 1 17 17 HIS CD2 C 13 118.655 0.400 . 1 . . . . 17 HIS CD2 . 16029 1 89 . 1 1 17 17 HIS CE1 C 13 136.821 0.400 . 1 . . . . 17 HIS CE1 . 16029 1 90 . 1 1 17 17 HIS N N 15 119.826 0.400 . 1 . . . . 17 HIS N . 16029 1 91 . 1 1 17 17 HIS ND1 N 15 178.585 0.400 . 1 . . . . 17 HIS ND1 . 16029 1 92 . 1 1 17 17 HIS NE2 N 15 193.918 0.400 . 1 . . . . 17 HIS NE2 . 16029 1 93 . 1 1 18 18 VAL H H 1 8.788 0.020 . 1 . . . . 18 VAL H . 16029 1 94 . 1 1 18 18 VAL HA H 1 4.681 0.020 . 1 . . . . 18 VAL HA . 16029 1 95 . 1 1 18 18 VAL HB H 1 1.993 0.020 . 1 . . . . 18 VAL HB . 16029 1 96 . 1 1 18 18 VAL HG11 H 1 0.661 0.020 . 1 . . . . 18 VAL HG1 . 16029 1 97 . 1 1 18 18 VAL HG12 H 1 0.661 0.020 . 1 . . . . 18 VAL HG1 . 16029 1 98 . 1 1 18 18 VAL HG13 H 1 0.661 0.020 . 1 . . . . 18 VAL HG1 . 16029 1 99 . 1 1 18 18 VAL HG21 H 1 0.601 0.020 . 1 . . . . 18 VAL HG2 . 16029 1 100 . 1 1 18 18 VAL HG22 H 1 0.601 0.020 . 1 . . . . 18 VAL HG2 . 16029 1 101 . 1 1 18 18 VAL HG23 H 1 0.601 0.020 . 1 . . . . 18 VAL HG2 . 16029 1 102 . 1 1 18 18 VAL C C 13 174.631 0.400 . 1 . . . . 18 VAL C . 16029 1 103 . 1 1 18 18 VAL CA C 13 59.568 0.400 . 1 . . . . 18 VAL CA . 16029 1 104 . 1 1 18 18 VAL CB C 13 34.191 0.400 . 1 . . . . 18 VAL CB . 16029 1 105 . 1 1 18 18 VAL CG1 C 13 21.598 0.400 . 1 . . . . 18 VAL CG1 . 16029 1 106 . 1 1 18 18 VAL CG2 C 13 19.307 0.400 . 1 . . . . 18 VAL CG2 . 16029 1 107 . 1 1 18 18 VAL N N 15 117.203 0.400 . 1 . . . . 18 VAL N . 16029 1 108 . 1 1 19 19 THR H H 1 8.746 0.020 . 1 . . . . 19 THR H . 16029 1 109 . 1 1 19 19 THR HA H 1 4.603 0.020 . 1 . . . . 19 THR HA . 16029 1 110 . 1 1 19 19 THR HB H 1 3.926 0.020 . 1 . . . . 19 THR HB . 16029 1 111 . 1 1 19 19 THR HG21 H 1 1.076 0.020 . 1 . . . . 19 THR HG2 . 16029 1 112 . 1 1 19 19 THR HG22 H 1 1.076 0.020 . 1 . . . . 19 THR HG2 . 16029 1 113 . 1 1 19 19 THR HG23 H 1 1.076 0.020 . 1 . . . . 19 THR HG2 . 16029 1 114 . 1 1 19 19 THR C C 13 172.422 0.400 . 1 . . . . 19 THR C . 16029 1 115 . 1 1 19 19 THR CA C 13 62.159 0.400 . 1 . . . . 19 THR CA . 16029 1 116 . 1 1 19 19 THR CB C 13 69.640 0.400 . 1 . . . . 19 THR CB . 16029 1 117 . 1 1 19 19 THR CG2 C 13 21.949 0.400 . 1 . . . . 19 THR CG2 . 16029 1 118 . 1 1 19 19 THR N N 15 121.216 0.400 . 1 . . . . 19 THR N . 16029 1 119 . 1 1 20 20 VAL H H 1 9.268 0.020 . 1 . . . . 20 VAL H . 16029 1 120 . 1 1 20 20 VAL HA H 1 4.426 0.020 . 1 . . . . 20 VAL HA . 16029 1 121 . 1 1 20 20 VAL HB H 1 1.084 0.020 . 1 . . . . 20 VAL HB . 16029 1 122 . 1 1 20 20 VAL HG11 H 1 0.609 0.020 . 1 . . . . 20 VAL HG1 . 16029 1 123 . 1 1 20 20 VAL HG12 H 1 0.609 0.020 . 1 . . . . 20 VAL HG1 . 16029 1 124 . 1 1 20 20 VAL HG13 H 1 0.609 0.020 . 1 . . . . 20 VAL HG1 . 16029 1 125 . 1 1 20 20 VAL HG21 H 1 0.600 0.020 . 1 . . . . 20 VAL HG2 . 16029 1 126 . 1 1 20 20 VAL HG22 H 1 0.600 0.020 . 1 . . . . 20 VAL HG2 . 16029 1 127 . 1 1 20 20 VAL HG23 H 1 0.600 0.020 . 1 . . . . 20 VAL HG2 . 16029 1 128 . 1 1 20 20 VAL C C 13 174.013 0.400 . 1 . . . . 20 VAL C . 16029 1 129 . 1 1 20 20 VAL CA C 13 61.312 0.400 . 1 . . . . 20 VAL CA . 16029 1 130 . 1 1 20 20 VAL CB C 13 31.567 0.400 . 1 . . . . 20 VAL CB . 16029 1 131 . 1 1 20 20 VAL CG1 C 13 22.579 0.400 . 1 . . . . 20 VAL CG1 . 16029 1 132 . 1 1 20 20 VAL CG2 C 13 21.049 0.400 . 1 . . . . 20 VAL CG2 . 16029 1 133 . 1 1 20 20 VAL N N 15 128.437 0.400 . 1 . . . . 20 VAL N . 16029 1 134 . 1 1 21 21 LYS H H 1 9.147 0.020 . 1 . . . . 21 LYS H . 16029 1 135 . 1 1 21 21 LYS HA H 1 4.759 0.020 . 1 . . . . 21 LYS HA . 16029 1 136 . 1 1 21 21 LYS HB2 H 1 1.522 0.020 . 1 . . . . 21 LYS HB2 . 16029 1 137 . 1 1 21 21 LYS HB3 H 1 1.849 0.020 . 1 . . . . 21 LYS HB3 . 16029 1 138 . 1 1 21 21 LYS HD2 H 1 1.258 0.020 . 2 . . . . 21 LYS HD2 . 16029 1 139 . 1 1 21 21 LYS HD3 H 1 1.344 0.020 . 2 . . . . 21 LYS HD3 . 16029 1 140 . 1 1 21 21 LYS HE2 H 1 2.836 0.020 . 2 . . . . 21 LYS HE2 . 16029 1 141 . 1 1 21 21 LYS HE3 H 1 2.883 0.020 . 2 . . . . 21 LYS HE3 . 16029 1 142 . 1 1 21 21 LYS HG2 H 1 1.639 0.020 . 2 . . . . 21 LYS HG2 . 16029 1 143 . 1 1 21 21 LYS HG3 H 1 1.511 0.020 . 2 . . . . 21 LYS HG3 . 16029 1 144 . 1 1 21 21 LYS C C 13 175.935 0.400 . 1 . . . . 21 LYS C . 16029 1 145 . 1 1 21 21 LYS CA C 13 55.384 0.400 . 1 . . . . 21 LYS CA . 16029 1 146 . 1 1 21 21 LYS CB C 13 34.197 0.400 . 1 . . . . 21 LYS CB . 16029 1 147 . 1 1 21 21 LYS CD C 13 24.991 0.400 . 1 . . . . 21 LYS CD . 16029 1 148 . 1 1 21 21 LYS CE C 13 41.885 0.400 . 1 . . . . 21 LYS CE . 16029 1 149 . 1 1 21 21 LYS CG C 13 29.250 0.400 . 1 . . . . 21 LYS CG . 16029 1 150 . 1 1 21 21 LYS N N 15 126.951 0.400 . 1 . . . . 21 LYS N . 16029 1 151 . 1 1 22 22 PHE H H 1 8.938 0.020 . 1 . . . . 22 PHE H . 16029 1 152 . 1 1 22 22 PHE HA H 1 4.846 0.020 . 1 . . . . 22 PHE HA . 16029 1 153 . 1 1 22 22 PHE HB2 H 1 3.142 0.020 . 2 . . . . 22 PHE HB2 . 16029 1 154 . 1 1 22 22 PHE HB3 H 1 3.490 0.020 . 2 . . . . 22 PHE HB3 . 16029 1 155 . 1 1 22 22 PHE HD1 H 1 7.270 0.020 . 1 . . . . 22 PHE HD1 . 16029 1 156 . 1 1 22 22 PHE HD2 H 1 7.270 0.020 . 1 . . . . 22 PHE HD2 . 16029 1 157 . 1 1 22 22 PHE HZ H 1 7.209 0.020 . 1 . . . . 22 PHE HZ . 16029 1 158 . 1 1 22 22 PHE C C 13 174.843 0.400 . 1 . . . . 22 PHE C . 16029 1 159 . 1 1 22 22 PHE CA C 13 56.918 0.400 . 1 . . . . 22 PHE CA . 16029 1 160 . 1 1 22 22 PHE CB C 13 39.021 0.400 . 1 . . . . 22 PHE CB . 16029 1 161 . 1 1 22 22 PHE CD1 C 13 130.920 0.400 . 1 . . . . 22 PHE CD1 . 16029 1 162 . 1 1 22 22 PHE CZ C 13 129.147 0.400 . 1 . . . . 22 PHE CZ . 16029 1 163 . 1 1 22 22 PHE N N 15 127.843 0.400 . 1 . . . . 22 PHE N . 16029 1 164 . 1 1 23 23 PRO HA H 1 4.192 0.020 . 1 . . . . 23 PRO HA . 16029 1 165 . 1 1 23 23 PRO HB2 H 1 2.420 0.020 . 2 . . . . 23 PRO HB2 . 16029 1 166 . 1 1 23 23 PRO HB3 H 1 1.933 0.020 . 2 . . . . 23 PRO HB3 . 16029 1 167 . 1 1 23 23 PRO HD2 H 1 3.896 0.020 . 2 . . . . 23 PRO HD2 . 16029 1 168 . 1 1 23 23 PRO HD3 H 1 3.896 0.020 . 2 . . . . 23 PRO HD3 . 16029 1 169 . 1 1 23 23 PRO HG2 H 1 2.228 0.020 . 2 . . . . 23 PRO HG2 . 16029 1 170 . 1 1 23 23 PRO HG3 H 1 2.228 0.020 . 2 . . . . 23 PRO HG3 . 16029 1 171 . 1 1 23 23 PRO C C 13 177.813 0.400 . 1 . . . . 23 PRO C . 16029 1 172 . 1 1 23 23 PRO CA C 13 66.150 0.400 . 1 . . . . 23 PRO CA . 16029 1 173 . 1 1 23 23 PRO CB C 13 31.588 0.400 . 1 . . . . 23 PRO CB . 16029 1 174 . 1 1 23 23 PRO CD C 13 49.940 0.400 . 1 . . . . 23 PRO CD . 16029 1 175 . 1 1 23 23 PRO CG C 13 28.068 0.400 . 1 . . . . 23 PRO CG . 16029 1 176 . 1 1 24 24 SER H H 1 8.115 0.020 . 1 . . . . 24 SER H . 16029 1 177 . 1 1 24 24 SER HA H 1 4.772 0.020 . 1 . . . . 24 SER HA . 16029 1 178 . 1 1 24 24 SER HB2 H 1 4.066 0.020 . 2 . . . . 24 SER HB2 . 16029 1 179 . 1 1 24 24 SER HB3 H 1 3.872 0.020 . 2 . . . . 24 SER HB3 . 16029 1 180 . 1 1 24 24 SER C C 13 173.836 0.400 . 1 . . . . 24 SER C . 16029 1 181 . 1 1 24 24 SER CA C 13 56.928 0.400 . 1 . . . . 24 SER CA . 16029 1 182 . 1 1 24 24 SER CB C 13 64.789 0.400 . 1 . . . . 24 SER CB . 16029 1 183 . 1 1 24 24 SER N N 15 106.127 0.400 . 1 . . . . 24 SER N . 16029 1 184 . 1 1 25 25 LYS H H 1 7.321 0.020 . 1 . . . . 25 LYS H . 16029 1 185 . 1 1 25 25 LYS HA H 1 4.739 0.020 . 1 . . . . 25 LYS HA . 16029 1 186 . 1 1 25 25 LYS HB2 H 1 1.941 0.020 . 2 . . . . 25 LYS HB2 . 16029 1 187 . 1 1 25 25 LYS HB3 H 1 1.811 0.020 . 2 . . . . 25 LYS HB3 . 16029 1 188 . 1 1 25 25 LYS HD2 H 1 1.532 0.020 . 2 . . . . 25 LYS HD2 . 16029 1 189 . 1 1 25 25 LYS HD3 H 1 1.532 0.020 . 2 . . . . 25 LYS HD3 . 16029 1 190 . 1 1 25 25 LYS HE2 H 1 2.675 0.020 . 2 . . . . 25 LYS HE2 . 16029 1 191 . 1 1 25 25 LYS HE3 H 1 2.675 0.020 . 2 . . . . 25 LYS HE3 . 16029 1 192 . 1 1 25 25 LYS HG2 H 1 1.368 0.020 . 2 . . . . 25 LYS HG2 . 16029 1 193 . 1 1 25 25 LYS HG3 H 1 1.185 0.020 . 2 . . . . 25 LYS HG3 . 16029 1 194 . 1 1 25 25 LYS C C 13 172.915 0.400 . 1 . . . . 25 LYS C . 16029 1 195 . 1 1 25 25 LYS CA C 13 55.863 0.400 . 1 . . . . 25 LYS CA . 16029 1 196 . 1 1 25 25 LYS CB C 13 34.621 0.400 . 1 . . . . 25 LYS CB . 16029 1 197 . 1 1 25 25 LYS CD C 13 28.964 0.400 . 1 . . . . 25 LYS CD . 16029 1 198 . 1 1 25 25 LYS CE C 13 41.579 0.400 . 1 . . . . 25 LYS CE . 16029 1 199 . 1 1 25 25 LYS CG C 13 23.712 0.400 . 1 . . . . 25 LYS CG . 16029 1 200 . 1 1 25 25 LYS N N 15 118.386 0.400 . 1 . . . . 25 LYS N . 16029 1 201 . 1 1 26 26 GLN H H 1 8.566 0.020 . 1 . . . . 26 GLN H . 16029 1 202 . 1 1 26 26 GLN HA H 1 5.708 0.020 . 1 . . . . 26 GLN HA . 16029 1 203 . 1 1 26 26 GLN HB2 H 1 1.955 0.020 . 2 . . . . 26 GLN HB2 . 16029 1 204 . 1 1 26 26 GLN HB3 H 1 2.099 0.020 . 2 . . . . 26 GLN HB3 . 16029 1 205 . 1 1 26 26 GLN HE21 H 1 7.545 0.020 . 2 . . . . 26 GLN HE21 . 16029 1 206 . 1 1 26 26 GLN HE22 H 1 6.884 0.020 . 2 . . . . 26 GLN HE22 . 16029 1 207 . 1 1 26 26 GLN HG2 H 1 2.290 0.020 . 2 . . . . 26 GLN HG2 . 16029 1 208 . 1 1 26 26 GLN HG3 H 1 2.184 0.020 . 2 . . . . 26 GLN HG3 . 16029 1 209 . 1 1 26 26 GLN C C 13 174.179 0.400 . 1 . . . . 26 GLN C . 16029 1 210 . 1 1 26 26 GLN CA C 13 53.888 0.400 . 1 . . . . 26 GLN CA . 16029 1 211 . 1 1 26 26 GLN CB C 13 32.884 0.400 . 1 . . . . 26 GLN CB . 16029 1 212 . 1 1 26 26 GLN CG C 13 32.884 0.400 . 1 . . . . 26 GLN CG . 16029 1 213 . 1 1 26 26 GLN N N 15 117.444 0.400 . 1 . . . . 26 GLN N . 16029 1 214 . 1 1 26 26 GLN NE2 N 15 112.197 0.400 . 1 . . . . 26 GLN NE2 . 16029 1 215 . 1 1 27 27 PHE H H 1 8.564 0.020 . 1 . . . . 27 PHE H . 16029 1 216 . 1 1 27 27 PHE HA H 1 5.085 0.020 . 1 . . . . 27 PHE HA . 16029 1 217 . 1 1 27 27 PHE HB2 H 1 3.335 0.020 . 2 . . . . 27 PHE HB2 . 16029 1 218 . 1 1 27 27 PHE HB3 H 1 3.179 0.020 . 2 . . . . 27 PHE HB3 . 16029 1 219 . 1 1 27 27 PHE HD1 H 1 6.945 0.020 . 1 . . . . 27 PHE HD1 . 16029 1 220 . 1 1 27 27 PHE HD2 H 1 6.945 0.020 . 1 . . . . 27 PHE HD2 . 16029 1 221 . 1 1 27 27 PHE HE1 H 1 6.870 0.020 . 1 . . . . 27 PHE HE1 . 16029 1 222 . 1 1 27 27 PHE HE2 H 1 6.870 0.020 . 1 . . . . 27 PHE HE2 . 16029 1 223 . 1 1 27 27 PHE HZ H 1 7.098 0.020 . 1 . . . . 27 PHE HZ . 16029 1 224 . 1 1 27 27 PHE C C 13 173.234 0.400 . 1 . . . . 27 PHE C . 16029 1 225 . 1 1 27 27 PHE CA C 13 55.993 0.400 . 1 . . . . 27 PHE CA . 16029 1 226 . 1 1 27 27 PHE CB C 13 40.088 0.400 . 1 . . . . 27 PHE CB . 16029 1 227 . 1 1 27 27 PHE CD1 C 13 132.636 0.400 . 1 . . . . 27 PHE CD1 . 16029 1 228 . 1 1 27 27 PHE CE1 C 13 129.972 0.400 . 1 . . . . 27 PHE CE1 . 16029 1 229 . 1 1 27 27 PHE CZ C 13 128.689 0.400 . 1 . . . . 27 PHE CZ . 16029 1 230 . 1 1 27 27 PHE N N 15 117.565 0.400 . 1 . . . . 27 PHE N . 16029 1 231 . 1 1 28 28 THR H H 1 8.801 0.020 . 1 . . . . 28 THR H . 16029 1 232 . 1 1 28 28 THR HA H 1 5.419 0.020 . 1 . . . . 28 THR HA . 16029 1 233 . 1 1 28 28 THR HB H 1 4.084 0.020 . 1 . . . . 28 THR HB . 16029 1 234 . 1 1 28 28 THR HG21 H 1 1.246 0.020 . 1 . . . . 28 THR HG2 . 16029 1 235 . 1 1 28 28 THR HG22 H 1 1.246 0.020 . 1 . . . . 28 THR HG2 . 16029 1 236 . 1 1 28 28 THR HG23 H 1 1.246 0.020 . 1 . . . . 28 THR HG2 . 16029 1 237 . 1 1 28 28 THR C C 13 174.650 0.400 . 1 . . . . 28 THR C . 16029 1 238 . 1 1 28 28 THR CA C 13 61.203 0.400 . 1 . . . . 28 THR CA . 16029 1 239 . 1 1 28 28 THR CB C 13 70.508 0.400 . 1 . . . . 28 THR CB . 16029 1 240 . 1 1 28 28 THR CG2 C 13 21.945 0.400 . 1 . . . . 28 THR CG2 . 16029 1 241 . 1 1 28 28 THR N N 15 115.093 0.400 . 1 . . . . 28 THR N . 16029 1 242 . 1 1 29 29 VAL H H 1 8.983 0.020 . 1 . . . . 29 VAL H . 16029 1 243 . 1 1 29 29 VAL HA H 1 4.549 0.020 . 1 . . . . 29 VAL HA . 16029 1 244 . 1 1 29 29 VAL HB H 1 1.822 0.020 . 1 . . . . 29 VAL HB . 16029 1 245 . 1 1 29 29 VAL HG11 H 1 0.909 0.020 . 1 . . . . 29 VAL HG1 . 16029 1 246 . 1 1 29 29 VAL HG12 H 1 0.909 0.020 . 1 . . . . 29 VAL HG1 . 16029 1 247 . 1 1 29 29 VAL HG13 H 1 0.909 0.020 . 1 . . . . 29 VAL HG1 . 16029 1 248 . 1 1 29 29 VAL HG21 H 1 0.855 0.020 . 1 . . . . 29 VAL HG2 . 16029 1 249 . 1 1 29 29 VAL HG22 H 1 0.855 0.020 . 1 . . . . 29 VAL HG2 . 16029 1 250 . 1 1 29 29 VAL HG23 H 1 0.855 0.020 . 1 . . . . 29 VAL HG2 . 16029 1 251 . 1 1 29 29 VAL C C 13 173.686 0.400 . 1 . . . . 29 VAL C . 16029 1 252 . 1 1 29 29 VAL CA C 13 60.118 0.400 . 1 . . . . 29 VAL CA . 16029 1 253 . 1 1 29 29 VAL CB C 13 35.498 0.400 . 1 . . . . 29 VAL CB . 16029 1 254 . 1 1 29 29 VAL CG1 C 13 21.937 0.400 . 1 . . . . 29 VAL CG1 . 16029 1 255 . 1 1 29 29 VAL CG2 C 13 21.122 0.400 . 1 . . . . 29 VAL CG2 . 16029 1 256 . 1 1 29 29 VAL N N 15 121.743 0.400 . 1 . . . . 29 VAL N . 16029 1 257 . 1 1 30 30 GLU H H 1 8.460 0.020 . 1 . . . . 30 GLU H . 16029 1 258 . 1 1 30 30 GLU HA H 1 4.894 0.020 . 1 . . . . 30 GLU HA . 16029 1 259 . 1 1 30 30 GLU HB2 H 1 1.793 0.020 . 2 . . . . 30 GLU HB2 . 16029 1 260 . 1 1 30 30 GLU HB3 H 1 1.793 0.020 . 2 . . . . 30 GLU HB3 . 16029 1 261 . 1 1 30 30 GLU HG2 H 1 1.855 0.020 . 2 . . . . 30 GLU HG2 . 16029 1 262 . 1 1 30 30 GLU HG3 H 1 1.702 0.020 . 2 . . . . 30 GLU HG3 . 16029 1 263 . 1 1 30 30 GLU C C 13 175.807 0.400 . 1 . . . . 30 GLU C . 16029 1 264 . 1 1 30 30 GLU CA C 13 54.922 0.400 . 1 . . . . 30 GLU CA . 16029 1 265 . 1 1 30 30 GLU CB C 13 31.123 0.400 . 1 . . . . 30 GLU CB . 16029 1 266 . 1 1 30 30 GLU CG C 13 37.235 0.400 . 1 . . . . 30 GLU CG . 16029 1 267 . 1 1 30 30 GLU N N 15 125.512 0.400 . 1 . . . . 30 GLU N . 16029 1 268 . 1 1 31 31 VAL H H 1 8.917 0.020 . 1 . . . . 31 VAL H . 16029 1 269 . 1 1 31 31 VAL HA H 1 4.634 0.020 . 1 . . . . 31 VAL HA . 16029 1 270 . 1 1 31 31 VAL HB H 1 2.068 0.020 . 1 . . . . 31 VAL HB . 16029 1 271 . 1 1 31 31 VAL HG11 H 1 0.678 0.020 . 1 . . . . 31 VAL HG1 . 16029 1 272 . 1 1 31 31 VAL HG12 H 1 0.678 0.020 . 1 . . . . 31 VAL HG1 . 16029 1 273 . 1 1 31 31 VAL HG13 H 1 0.678 0.020 . 1 . . . . 31 VAL HG1 . 16029 1 274 . 1 1 31 31 VAL HG21 H 1 0.538 0.020 . 1 . . . . 31 VAL HG2 . 16029 1 275 . 1 1 31 31 VAL HG22 H 1 0.538 0.020 . 1 . . . . 31 VAL HG2 . 16029 1 276 . 1 1 31 31 VAL HG23 H 1 0.538 0.020 . 1 . . . . 31 VAL HG2 . 16029 1 277 . 1 1 31 31 VAL C C 13 174.136 0.400 . 1 . . . . 31 VAL C . 16029 1 278 . 1 1 31 31 VAL CA C 13 58.299 0.400 . 1 . . . . 31 VAL CA . 16029 1 279 . 1 1 31 31 VAL CB C 13 35.067 0.400 . 1 . . . . 31 VAL CB . 16029 1 280 . 1 1 31 31 VAL CG1 C 13 22.509 0.400 . 1 . . . . 31 VAL CG1 . 16029 1 281 . 1 1 31 31 VAL CG2 C 13 19.186 0.400 . 1 . . . . 31 VAL CG2 . 16029 1 282 . 1 1 31 31 VAL N N 15 118.900 0.400 . 1 . . . . 31 VAL N . 16029 1 283 . 1 1 32 32 ASP H H 1 9.032 0.020 . 1 . . . . 32 ASP H . 16029 1 284 . 1 1 32 32 ASP HA H 1 4.943 0.020 . 1 . . . . 32 ASP HA . 16029 1 285 . 1 1 32 32 ASP HB2 H 1 2.551 0.020 . 1 . . . . 32 ASP HB2 . 16029 1 286 . 1 1 32 32 ASP HB3 H 1 2.689 0.020 . 1 . . . . 32 ASP HB3 . 16029 1 287 . 1 1 32 32 ASP C C 13 177.992 0.400 . 1 . . . . 32 ASP C . 16029 1 288 . 1 1 32 32 ASP CA C 13 53.428 0.400 . 1 . . . . 32 ASP CA . 16029 1 289 . 1 1 32 32 ASP CB C 13 42.939 0.400 . 1 . . . . 32 ASP CB . 16029 1 290 . 1 1 32 32 ASP N N 15 121.708 0.400 . 1 . . . . 32 ASP N . 16029 1 291 . 1 1 33 33 ARG H H 1 8.847 0.020 . 1 . . . . 33 ARG H . 16029 1 292 . 1 1 33 33 ARG HA H 1 3.952 0.020 . 1 . . . . 33 ARG HA . 16029 1 293 . 1 1 33 33 ARG HB2 H 1 1.853 0.020 . 2 . . . . 33 ARG HB2 . 16029 1 294 . 1 1 33 33 ARG HB3 H 1 1.853 0.020 . 2 . . . . 33 ARG HB3 . 16029 1 295 . 1 1 33 33 ARG HD2 H 1 3.214 0.020 . 2 . . . . 33 ARG HD2 . 16029 1 296 . 1 1 33 33 ARG HD3 H 1 3.214 0.020 . 2 . . . . 33 ARG HD3 . 16029 1 297 . 1 1 33 33 ARG HG2 H 1 1.685 0.020 . 2 . . . . 33 ARG HG2 . 16029 1 298 . 1 1 33 33 ARG HG3 H 1 1.685 0.020 . 2 . . . . 33 ARG HG3 . 16029 1 299 . 1 1 33 33 ARG C C 13 176.257 0.400 . 1 . . . . 33 ARG C . 16029 1 300 . 1 1 33 33 ARG CA C 13 59.113 0.400 . 1 . . . . 33 ARG CA . 16029 1 301 . 1 1 33 33 ARG CB C 13 30.011 0.400 . 1 . . . . 33 ARG CB . 16029 1 302 . 1 1 33 33 ARG CD C 13 43.335 0.400 . 1 . . . . 33 ARG CD . 16029 1 303 . 1 1 33 33 ARG CG C 13 27.799 0.400 . 1 . . . . 33 ARG CG . 16029 1 304 . 1 1 33 33 ARG N N 15 121.873 0.400 . 1 . . . . 33 ARG N . 16029 1 305 . 1 1 34 34 THR H H 1 8.058 0.020 . 1 . . . . 34 THR H . 16029 1 306 . 1 1 34 34 THR HA H 1 4.350 0.020 . 1 . . . . 34 THR HA . 16029 1 307 . 1 1 34 34 THR HB H 1 4.549 0.020 . 1 . . . . 34 THR HB . 16029 1 308 . 1 1 34 34 THR HG21 H 1 1.126 0.020 . 1 . . . . 34 THR HG2 . 16029 1 309 . 1 1 34 34 THR HG22 H 1 1.126 0.020 . 1 . . . . 34 THR HG2 . 16029 1 310 . 1 1 34 34 THR HG23 H 1 1.126 0.020 . 1 . . . . 34 THR HG2 . 16029 1 311 . 1 1 34 34 THR C C 13 174.371 0.400 . 1 . . . . 34 THR C . 16029 1 312 . 1 1 34 34 THR CA C 13 60.432 0.400 . 1 . . . . 34 THR CA . 16029 1 313 . 1 1 34 34 THR CB C 13 68.739 0.400 . 1 . . . . 34 THR CB . 16029 1 314 . 1 1 34 34 THR CG2 C 13 21.495 0.400 . 1 . . . . 34 THR CG2 . 16029 1 315 . 1 1 34 34 THR N N 15 104.720 0.400 . 1 . . . . 34 THR N . 16029 1 316 . 1 1 35 35 GLU H H 1 7.473 0.020 . 1 . . . . 35 GLU H . 16029 1 317 . 1 1 35 35 GLU HA H 1 4.239 0.020 . 1 . . . . 35 GLU HA . 16029 1 318 . 1 1 35 35 GLU HB2 H 1 1.993 0.020 . 2 . . . . 35 GLU HB2 . 16029 1 319 . 1 1 35 35 GLU HB3 H 1 2.529 0.020 . 2 . . . . 35 GLU HB3 . 16029 1 320 . 1 1 35 35 GLU HG2 H 1 2.523 0.020 . 2 . . . . 35 GLU HG2 . 16029 1 321 . 1 1 35 35 GLU HG3 H 1 2.400 0.020 . 2 . . . . 35 GLU HG3 . 16029 1 322 . 1 1 35 35 GLU C C 13 176.021 0.400 . 1 . . . . 35 GLU C . 16029 1 323 . 1 1 35 35 GLU CA C 13 56.921 0.400 . 1 . . . . 35 GLU CA . 16029 1 324 . 1 1 35 35 GLU CB C 13 31.086 0.400 . 1 . . . . 35 GLU CB . 16029 1 325 . 1 1 35 35 GLU CG C 13 36.589 0.400 . 1 . . . . 35 GLU CG . 16029 1 326 . 1 1 35 35 GLU N N 15 123.129 0.400 . 1 . . . . 35 GLU N . 16029 1 327 . 1 1 36 36 THR H H 1 8.432 0.020 . 1 . . . . 36 THR H . 16029 1 328 . 1 1 36 36 THR HA H 1 4.987 0.020 . 1 . . . . 36 THR HA . 16029 1 329 . 1 1 36 36 THR HB H 1 4.739 0.020 . 1 . . . . 36 THR HB . 16029 1 330 . 1 1 36 36 THR HG21 H 1 1.313 0.020 . 1 . . . . 36 THR HG2 . 16029 1 331 . 1 1 36 36 THR HG22 H 1 1.313 0.020 . 1 . . . . 36 THR HG2 . 16029 1 332 . 1 1 36 36 THR HG23 H 1 1.313 0.020 . 1 . . . . 36 THR HG2 . 16029 1 333 . 1 1 36 36 THR C C 13 175.939 0.400 . 1 . . . . 36 THR C . 16029 1 334 . 1 1 36 36 THR CA C 13 60.249 0.400 . 1 . . . . 36 THR CA . 16029 1 335 . 1 1 36 36 THR CB C 13 71.783 0.400 . 1 . . . . 36 THR CB . 16029 1 336 . 1 1 36 36 THR CG2 C 13 21.934 0.400 . 1 . . . . 36 THR CG2 . 16029 1 337 . 1 1 36 36 THR N N 15 112.476 0.400 . 1 . . . . 36 THR N . 16029 1 338 . 1 1 37 37 VAL H H 1 8.087 0.020 . 1 . . . . 37 VAL H . 16029 1 339 . 1 1 37 37 VAL HA H 1 3.411 0.020 . 1 . . . . 37 VAL HA . 16029 1 340 . 1 1 37 37 VAL HB H 1 2.370 0.020 . 1 . . . . 37 VAL HB . 16029 1 341 . 1 1 37 37 VAL HG11 H 1 0.825 0.020 . 1 . . . . 37 VAL HG1 . 16029 1 342 . 1 1 37 37 VAL HG12 H 1 0.825 0.020 . 1 . . . . 37 VAL HG1 . 16029 1 343 . 1 1 37 37 VAL HG13 H 1 0.825 0.020 . 1 . . . . 37 VAL HG1 . 16029 1 344 . 1 1 37 37 VAL HG21 H 1 0.982 0.020 . 1 . . . . 37 VAL HG2 . 16029 1 345 . 1 1 37 37 VAL HG22 H 1 0.982 0.020 . 1 . . . . 37 VAL HG2 . 16029 1 346 . 1 1 37 37 VAL HG23 H 1 0.982 0.020 . 1 . . . . 37 VAL HG2 . 16029 1 347 . 1 1 37 37 VAL C C 13 178.249 0.400 . 1 . . . . 37 VAL C . 16029 1 348 . 1 1 37 37 VAL CA C 13 67.397 0.400 . 1 . . . . 37 VAL CA . 16029 1 349 . 1 1 37 37 VAL CB C 13 31.567 0.400 . 1 . . . . 37 VAL CB . 16029 1 350 . 1 1 37 37 VAL CG1 C 13 21.400 0.400 . 1 . . . . 37 VAL CG1 . 16029 1 351 . 1 1 37 37 VAL CG2 C 13 24.387 0.400 . 1 . . . . 37 VAL CG2 . 16029 1 352 . 1 1 37 37 VAL N N 15 121.215 0.400 . 1 . . . . 37 VAL N . 16029 1 353 . 1 1 38 38 SER H H 1 8.863 0.020 . 1 . . . . 38 SER H . 16029 1 354 . 1 1 38 38 SER HA H 1 4.760 0.020 . 1 . . . . 38 SER HA . 16029 1 355 . 1 1 38 38 SER HB2 H 1 3.784 0.020 . 2 . . . . 38 SER HB2 . 16029 1 356 . 1 1 38 38 SER HB3 H 1 3.784 0.020 . 2 . . . . 38 SER HB3 . 16029 1 357 . 1 1 38 38 SER C C 13 176.814 0.400 . 1 . . . . 38 SER C . 16029 1 358 . 1 1 38 38 SER CA C 13 57.746 0.400 . 1 . . . . 38 SER CA . 16029 1 359 . 1 1 38 38 SER CB C 13 62.627 0.400 . 1 . . . . 38 SER CB . 16029 1 360 . 1 1 38 38 SER N N 15 112.752 0.400 . 1 . . . . 38 SER N . 16029 1 361 . 1 1 39 39 SER H H 1 7.999 0.020 . 1 . . . . 39 SER H . 16029 1 362 . 1 1 39 39 SER HA H 1 4.318 0.020 . 1 . . . . 39 SER HA . 16029 1 363 . 1 1 39 39 SER HB2 H 1 4.055 0.020 . 2 . . . . 39 SER HB2 . 16029 1 364 . 1 1 39 39 SER HB3 H 1 4.152 0.020 . 2 . . . . 39 SER HB3 . 16029 1 365 . 1 1 39 39 SER C C 13 177.692 0.400 . 1 . . . . 39 SER C . 16029 1 366 . 1 1 39 39 SER CA C 13 61.338 0.400 . 1 . . . . 39 SER CA . 16029 1 367 . 1 1 39 39 SER CB C 13 62.349 0.400 . 1 . . . . 39 SER CB . 16029 1 368 . 1 1 39 39 SER N N 15 117.918 0.400 . 1 . . . . 39 SER N . 16029 1 369 . 1 1 40 40 LEU H H 1 8.227 0.020 . 1 . . . . 40 LEU H . 16029 1 370 . 1 1 40 40 LEU HA H 1 4.104 0.020 . 1 . . . . 40 LEU HA . 16029 1 371 . 1 1 40 40 LEU HB2 H 1 2.220 0.020 . 1 . . . . 40 LEU HB2 . 16029 1 372 . 1 1 40 40 LEU HB3 H 1 1.410 0.020 . 1 . . . . 40 LEU HB3 . 16029 1 373 . 1 1 40 40 LEU HD11 H 1 0.772 0.020 . 1 . . . . 40 LEU HD1 . 16029 1 374 . 1 1 40 40 LEU HD12 H 1 0.772 0.020 . 1 . . . . 40 LEU HD1 . 16029 1 375 . 1 1 40 40 LEU HD13 H 1 0.772 0.020 . 1 . . . . 40 LEU HD1 . 16029 1 376 . 1 1 40 40 LEU HD21 H 1 0.733 0.020 . 1 . . . . 40 LEU HD2 . 16029 1 377 . 1 1 40 40 LEU HD22 H 1 0.733 0.020 . 1 . . . . 40 LEU HD2 . 16029 1 378 . 1 1 40 40 LEU HD23 H 1 0.733 0.020 . 1 . . . . 40 LEU HD2 . 16029 1 379 . 1 1 40 40 LEU HG H 1 1.474 0.020 . 1 . . . . 40 LEU HG . 16029 1 380 . 1 1 40 40 LEU C C 13 178.420 0.400 . 1 . . . . 40 LEU C . 16029 1 381 . 1 1 40 40 LEU CA C 13 58.235 0.400 . 1 . . . . 40 LEU CA . 16029 1 382 . 1 1 40 40 LEU CB C 13 40.797 0.400 . 1 . . . . 40 LEU CB . 16029 1 383 . 1 1 40 40 LEU CD1 C 13 22.796 0.400 . 1 . . . . 40 LEU CD1 . 16029 1 384 . 1 1 40 40 LEU CD2 C 13 26.905 0.400 . 1 . . . . 40 LEU CD2 . 16029 1 385 . 1 1 40 40 LEU CG C 13 27.156 0.400 . 1 . . . . 40 LEU CG . 16029 1 386 . 1 1 40 40 LEU N N 15 123.592 0.400 . 1 . . . . 40 LEU N . 16029 1 387 . 1 1 41 41 LYS H H 1 8.470 0.020 . 1 . . . . 41 LYS H . 16029 1 388 . 1 1 41 41 LYS HA H 1 3.824 0.020 . 1 . . . . 41 LYS HA . 16029 1 389 . 1 1 41 41 LYS HB2 H 1 2.171 0.020 . 1 . . . . 41 LYS HB2 . 16029 1 390 . 1 1 41 41 LYS HB3 H 1 1.852 0.020 . 1 . . . . 41 LYS HB3 . 16029 1 391 . 1 1 41 41 LYS HD2 H 1 1.666 0.020 . 2 . . . . 41 LYS HD2 . 16029 1 392 . 1 1 41 41 LYS HD3 H 1 1.666 0.020 . 2 . . . . 41 LYS HD3 . 16029 1 393 . 1 1 41 41 LYS HE2 H 1 2.743 0.020 . 2 . . . . 41 LYS HE2 . 16029 1 394 . 1 1 41 41 LYS HE3 H 1 2.642 0.020 . 2 . . . . 41 LYS HE3 . 16029 1 395 . 1 1 41 41 LYS HG2 H 1 1.235 0.020 . 1 . . . . 41 LYS HG2 . 16029 1 396 . 1 1 41 41 LYS HG3 H 1 1.731 0.020 . 1 . . . . 41 LYS HG3 . 16029 1 397 . 1 1 41 41 LYS C C 13 178.476 0.400 . 1 . . . . 41 LYS C . 16029 1 398 . 1 1 41 41 LYS CA C 13 61.313 0.400 . 1 . . . . 41 LYS CA . 16029 1 399 . 1 1 41 41 LYS CB C 13 32.414 0.400 . 1 . . . . 41 LYS CB . 16029 1 400 . 1 1 41 41 LYS CD C 13 30.021 0.400 . 1 . . . . 41 LYS CD . 16029 1 401 . 1 1 41 41 LYS CE C 13 42.491 0.400 . 1 . . . . 41 LYS CE . 16029 1 402 . 1 1 41 41 LYS CG C 13 28.024 0.400 . 1 . . . . 41 LYS CG . 16029 1 403 . 1 1 41 41 LYS N N 15 118.401 0.400 . 1 . . . . 41 LYS N . 16029 1 404 . 1 1 42 42 ASP H H 1 7.956 0.020 . 1 . . . . 42 ASP H . 16029 1 405 . 1 1 42 42 ASP HA H 1 4.447 0.020 . 1 . . . . 42 ASP HA . 16029 1 406 . 1 1 42 42 ASP HB2 H 1 2.797 0.020 . 2 . . . . 42 ASP HB2 . 16029 1 407 . 1 1 42 42 ASP HB3 H 1 2.963 0.020 . 2 . . . . 42 ASP HB3 . 16029 1 408 . 1 1 42 42 ASP C C 13 178.806 0.400 . 1 . . . . 42 ASP C . 16029 1 409 . 1 1 42 42 ASP CA C 13 57.802 0.400 . 1 . . . . 42 ASP CA . 16029 1 410 . 1 1 42 42 ASP CB C 13 40.585 0.400 . 1 . . . . 42 ASP CB . 16029 1 411 . 1 1 42 42 ASP N N 15 119.295 0.400 . 1 . . . . 42 ASP N . 16029 1 412 . 1 1 43 43 LYS H H 1 8.024 0.020 . 1 . . . . 43 LYS H . 16029 1 413 . 1 1 43 43 LYS HA H 1 4.039 0.020 . 1 . . . . 43 LYS HA . 16029 1 414 . 1 1 43 43 LYS HB2 H 1 2.103 0.020 . 2 . . . . 43 LYS HB2 . 16029 1 415 . 1 1 43 43 LYS HB3 H 1 1.887 0.020 . 2 . . . . 43 LYS HB3 . 16029 1 416 . 1 1 43 43 LYS HD2 H 1 1.564 0.020 . 2 . . . . 43 LYS HD2 . 16029 1 417 . 1 1 43 43 LYS HD3 H 1 1.618 0.020 . 2 . . . . 43 LYS HD3 . 16029 1 418 . 1 1 43 43 LYS HE2 H 1 3.146 0.020 . 2 . . . . 43 LYS HE2 . 16029 1 419 . 1 1 43 43 LYS HE3 H 1 3.015 0.020 . 2 . . . . 43 LYS HE3 . 16029 1 420 . 1 1 43 43 LYS HG2 H 1 1.430 0.020 . 2 . . . . 43 LYS HG2 . 16029 1 421 . 1 1 43 43 LYS HG3 H 1 1.874 0.020 . 2 . . . . 43 LYS HG3 . 16029 1 422 . 1 1 43 43 LYS C C 13 179.941 0.400 . 1 . . . . 43 LYS C . 16029 1 423 . 1 1 43 43 LYS CA C 13 60.014 0.400 . 1 . . . . 43 LYS CA . 16029 1 424 . 1 1 43 43 LYS CB C 13 32.865 0.400 . 1 . . . . 43 LYS CB . 16029 1 425 . 1 1 43 43 LYS CD C 13 29.359 0.400 . 1 . . . . 43 LYS CD . 16029 1 426 . 1 1 43 43 LYS CE C 13 42.087 0.400 . 1 . . . . 43 LYS CE . 16029 1 427 . 1 1 43 43 LYS CG C 13 26.744 0.400 . 1 . . . . 43 LYS CG . 16029 1 428 . 1 1 43 43 LYS N N 15 119.784 0.400 . 1 . . . . 43 LYS N . 16029 1 429 . 1 1 44 44 ILE H H 1 8.480 0.020 . 1 . . . . 44 ILE H . 16029 1 430 . 1 1 44 44 ILE HA H 1 3.702 0.020 . 1 . . . . 44 ILE HA . 16029 1 431 . 1 1 44 44 ILE HB H 1 2.069 0.020 . 1 . . . . 44 ILE HB . 16029 1 432 . 1 1 44 44 ILE HD11 H 1 0.793 0.020 . 1 . . . . 44 ILE HD1 . 16029 1 433 . 1 1 44 44 ILE HD12 H 1 0.793 0.020 . 1 . . . . 44 ILE HD1 . 16029 1 434 . 1 1 44 44 ILE HD13 H 1 0.793 0.020 . 1 . . . . 44 ILE HD1 . 16029 1 435 . 1 1 44 44 ILE HG12 H 1 2.116 0.020 . 2 . . . . 44 ILE HG12 . 16029 1 436 . 1 1 44 44 ILE HG13 H 1 1.006 0.020 . 2 . . . . 44 ILE HG13 . 16029 1 437 . 1 1 44 44 ILE HG21 H 1 1.295 0.020 . 1 . . . . 44 ILE HG2 . 16029 1 438 . 1 1 44 44 ILE HG22 H 1 1.295 0.020 . 1 . . . . 44 ILE HG2 . 16029 1 439 . 1 1 44 44 ILE HG23 H 1 1.295 0.020 . 1 . . . . 44 ILE HG2 . 16029 1 440 . 1 1 44 44 ILE C C 13 177.328 0.400 . 1 . . . . 44 ILE C . 16029 1 441 . 1 1 44 44 ILE CA C 13 65.725 0.400 . 1 . . . . 44 ILE CA . 16029 1 442 . 1 1 44 44 ILE CB C 13 38.110 0.400 . 1 . . . . 44 ILE CB . 16029 1 443 . 1 1 44 44 ILE CD1 C 13 14.912 0.400 . 1 . . . . 44 ILE CD1 . 16029 1 444 . 1 1 44 44 ILE CG1 C 13 29.702 0.400 . 1 . . . . 44 ILE CG1 . 16029 1 445 . 1 1 44 44 ILE CG2 C 13 18.426 0.400 . 1 . . . . 44 ILE CG2 . 16029 1 446 . 1 1 44 44 ILE N N 15 119.363 0.400 . 1 . . . . 44 ILE N . 16029 1 447 . 1 1 45 45 HIS H H 1 8.635 0.020 . 1 . . . . 45 HIS H . 16029 1 448 . 1 1 45 45 HIS HA H 1 4.471 0.020 . 1 . . . . 45 HIS HA . 16029 1 449 . 1 1 45 45 HIS HB2 H 1 3.300 0.020 . 1 . . . . 45 HIS HB2 . 16029 1 450 . 1 1 45 45 HIS HB3 H 1 3.713 0.020 . 1 . . . . 45 HIS HB3 . 16029 1 451 . 1 1 45 45 HIS HD2 H 1 7.375 0.020 . 1 . . . . 45 HIS HD2 . 16029 1 452 . 1 1 45 45 HIS HE1 H 1 8.272 0.020 . 1 . . . . 45 HIS HE1 . 16029 1 453 . 1 1 45 45 HIS C C 13 176.407 0.400 . 1 . . . . 45 HIS C . 16029 1 454 . 1 1 45 45 HIS CA C 13 58.451 0.400 . 1 . . . . 45 HIS CA . 16029 1 455 . 1 1 45 45 HIS CB C 13 28.055 0.400 . 1 . . . . 45 HIS CB . 16029 1 456 . 1 1 45 45 HIS CD2 C 13 122.590 0.400 . 1 . . . . 45 HIS CD2 . 16029 1 457 . 1 1 45 45 HIS CE1 C 13 137.043 0.400 . 1 . . . . 45 HIS CE1 . 16029 1 458 . 1 1 45 45 HIS N N 15 118.889 0.400 . 1 . . . . 45 HIS N . 16029 1 459 . 1 1 45 45 HIS ND1 N 15 175.177 0.400 . 1 . . . . 45 HIS ND1 . 16029 1 460 . 1 1 45 45 HIS NE2 N 15 188.628 0.400 . 1 . . . . 45 HIS NE2 . 16029 1 461 . 1 1 46 46 ILE H H 1 7.868 0.020 . 1 . . . . 46 ILE H . 16029 1 462 . 1 1 46 46 ILE HA H 1 3.571 0.020 . 1 . . . . 46 ILE HA . 16029 1 463 . 1 1 46 46 ILE HB H 1 1.986 0.020 . 1 . . . . 46 ILE HB . 16029 1 464 . 1 1 46 46 ILE HD11 H 1 0.883 0.020 . 1 . . . . 46 ILE HD1 . 16029 1 465 . 1 1 46 46 ILE HD12 H 1 0.883 0.020 . 1 . . . . 46 ILE HD1 . 16029 1 466 . 1 1 46 46 ILE HD13 H 1 0.883 0.020 . 1 . . . . 46 ILE HD1 . 16029 1 467 . 1 1 46 46 ILE HG12 H 1 1.286 0.020 . 2 . . . . 46 ILE HG12 . 16029 1 468 . 1 1 46 46 ILE HG13 H 1 1.756 0.020 . 2 . . . . 46 ILE HG13 . 16029 1 469 . 1 1 46 46 ILE HG21 H 1 0.887 0.020 . 1 . . . . 46 ILE HG2 . 16029 1 470 . 1 1 46 46 ILE HG22 H 1 0.887 0.020 . 1 . . . . 46 ILE HG2 . 16029 1 471 . 1 1 46 46 ILE HG23 H 1 0.887 0.020 . 1 . . . . 46 ILE HG2 . 16029 1 472 . 1 1 46 46 ILE C C 13 177.371 0.400 . 1 . . . . 46 ILE C . 16029 1 473 . 1 1 46 46 ILE CA C 13 63.925 0.400 . 1 . . . . 46 ILE CA . 16029 1 474 . 1 1 46 46 ILE CB C 13 37.704 0.400 . 1 . . . . 46 ILE CB . 16029 1 475 . 1 1 46 46 ILE CD1 C 13 12.748 0.400 . 1 . . . . 46 ILE CD1 . 16029 1 476 . 1 1 46 46 ILE CG1 C 13 28.584 0.400 . 1 . . . . 46 ILE CG1 . 16029 1 477 . 1 1 46 46 ILE CG2 C 13 17.105 0.400 . 1 . . . . 46 ILE CG2 . 16029 1 478 . 1 1 46 46 ILE N N 15 118.414 0.400 . 1 . . . . 46 ILE N . 16029 1 479 . 1 1 47 47 VAL H H 1 7.223 0.020 . 1 . . . . 47 VAL H . 16029 1 480 . 1 1 47 47 VAL HA H 1 3.684 0.020 . 1 . . . . 47 VAL HA . 16029 1 481 . 1 1 47 47 VAL HB H 1 1.724 0.020 . 1 . . . . 47 VAL HB . 16029 1 482 . 1 1 47 47 VAL HG11 H 1 0.293 0.020 . 1 . . . . 47 VAL HG1 . 16029 1 483 . 1 1 47 47 VAL HG12 H 1 0.293 0.020 . 1 . . . . 47 VAL HG1 . 16029 1 484 . 1 1 47 47 VAL HG13 H 1 0.293 0.020 . 1 . . . . 47 VAL HG1 . 16029 1 485 . 1 1 47 47 VAL HG21 H 1 0.821 0.020 . 1 . . . . 47 VAL HG2 . 16029 1 486 . 1 1 47 47 VAL HG22 H 1 0.821 0.020 . 1 . . . . 47 VAL HG2 . 16029 1 487 . 1 1 47 47 VAL HG23 H 1 0.821 0.020 . 1 . . . . 47 VAL HG2 . 16029 1 488 . 1 1 47 47 VAL C C 13 176.706 0.400 . 1 . . . . 47 VAL C . 16029 1 489 . 1 1 47 47 VAL CA C 13 64.807 0.400 . 1 . . . . 47 VAL CA . 16029 1 490 . 1 1 47 47 VAL CB C 13 32.209 0.400 . 1 . . . . 47 VAL CB . 16029 1 491 . 1 1 47 47 VAL CG1 C 13 20.615 0.400 . 1 . . . . 47 VAL CG1 . 16029 1 492 . 1 1 47 47 VAL CG2 C 13 21.019 0.400 . 1 . . . . 47 VAL CG2 . 16029 1 493 . 1 1 47 47 VAL N N 15 116.982 0.400 . 1 . . . . 47 VAL N . 16029 1 494 . 1 1 48 48 GLU H H 1 8.090 0.020 . 1 . . . . 48 GLU H . 16029 1 495 . 1 1 48 48 GLU HA H 1 4.271 0.020 . 1 . . . . 48 GLU HA . 16029 1 496 . 1 1 48 48 GLU HB2 H 1 1.447 0.020 . 1 . . . . 48 GLU HB2 . 16029 1 497 . 1 1 48 48 GLU HB3 H 1 1.945 0.020 . 1 . . . . 48 GLU HB3 . 16029 1 498 . 1 1 48 48 GLU HG2 H 1 1.611 0.020 . 2 . . . . 48 GLU HG2 . 16029 1 499 . 1 1 48 48 GLU HG3 H 1 1.540 0.020 . 2 . . . . 48 GLU HG3 . 16029 1 500 . 1 1 48 48 GLU C C 13 176.042 0.400 . 1 . . . . 48 GLU C . 16029 1 501 . 1 1 48 48 GLU CA C 13 55.062 0.400 . 1 . . . . 48 GLU CA . 16029 1 502 . 1 1 48 48 GLU CB C 13 31.544 0.400 . 1 . . . . 48 GLU CB . 16029 1 503 . 1 1 48 48 GLU CG C 13 35.780 0.400 . 1 . . . . 48 GLU CG . 16029 1 504 . 1 1 48 48 GLU N N 15 118.849 0.400 . 1 . . . . 48 GLU N . 16029 1 505 . 1 1 49 49 ASN H H 1 8.113 0.020 . 1 . . . . 49 ASN H . 16029 1 506 . 1 1 49 49 ASN HA H 1 4.137 0.020 . 1 . . . . 49 ASN HA . 16029 1 507 . 1 1 49 49 ASN HB2 H 1 2.952 0.020 . 2 . . . . 49 ASN HB2 . 16029 1 508 . 1 1 49 49 ASN HB3 H 1 2.635 0.020 . 2 . . . . 49 ASN HB3 . 16029 1 509 . 1 1 49 49 ASN HD21 H 1 7.435 0.020 . 2 . . . . 49 ASN HD21 . 16029 1 510 . 1 1 49 49 ASN HD22 H 1 6.712 0.020 . 2 . . . . 49 ASN HD22 . 16029 1 511 . 1 1 49 49 ASN C C 13 174.993 0.400 . 1 . . . . 49 ASN C . 16029 1 512 . 1 1 49 49 ASN CA C 13 54.287 0.400 . 1 . . . . 49 ASN CA . 16029 1 513 . 1 1 49 49 ASN CB C 13 37.647 0.400 . 1 . . . . 49 ASN CB . 16029 1 514 . 1 1 49 49 ASN N N 15 118.695 0.400 . 1 . . . . 49 ASN N . 16029 1 515 . 1 1 49 49 ASN ND2 N 15 111.404 0.400 . 1 . . . . 49 ASN ND2 . 16029 1 516 . 1 1 50 50 THR H H 1 7.780 0.020 . 1 . . . . 50 THR H . 16029 1 517 . 1 1 50 50 THR HA H 1 4.483 0.020 . 1 . . . . 50 THR HA . 16029 1 518 . 1 1 50 50 THR HB H 1 3.839 0.020 . 1 . . . . 50 THR HB . 16029 1 519 . 1 1 50 50 THR HG21 H 1 1.352 0.020 . 1 . . . . 50 THR HG2 . 16029 1 520 . 1 1 50 50 THR HG22 H 1 1.352 0.020 . 1 . . . . 50 THR HG2 . 16029 1 521 . 1 1 50 50 THR HG23 H 1 1.352 0.020 . 1 . . . . 50 THR HG2 . 16029 1 522 . 1 1 50 50 THR C C 13 173.107 0.400 . 1 . . . . 50 THR C . 16029 1 523 . 1 1 50 50 THR CA C 13 61.094 0.400 . 1 . . . . 50 THR CA . 16029 1 524 . 1 1 50 50 THR CB C 13 70.926 0.400 . 1 . . . . 50 THR CB . 16029 1 525 . 1 1 50 50 THR CG2 C 13 21.705 0.400 . 1 . . . . 50 THR CG2 . 16029 1 526 . 1 1 50 50 THR N N 15 118.434 0.400 . 1 . . . . 50 THR N . 16029 1 527 . 1 1 51 51 PRO HA H 1 4.485 0.020 . 1 . . . . 51 PRO HA . 16029 1 528 . 1 1 51 51 PRO HB2 H 1 1.796 0.020 . 1 . . . . 51 PRO HB2 . 16029 1 529 . 1 1 51 51 PRO HB3 H 1 2.470 0.020 . 1 . . . . 51 PRO HB3 . 16029 1 530 . 1 1 51 51 PRO HD2 H 1 3.633 0.020 . 1 . . . . 51 PRO HD2 . 16029 1 531 . 1 1 51 51 PRO HD3 H 1 4.154 0.020 . 1 . . . . 51 PRO HD3 . 16029 1 532 . 1 1 51 51 PRO HG2 H 1 2.160 0.020 . 2 . . . . 51 PRO HG2 . 16029 1 533 . 1 1 51 51 PRO HG3 H 1 2.160 0.020 . 2 . . . . 51 PRO HG3 . 16029 1 534 . 1 1 51 51 PRO C C 13 178.067 0.400 . 1 . . . . 51 PRO C . 16029 1 535 . 1 1 51 51 PRO CA C 13 63.075 0.400 . 1 . . . . 51 PRO CA . 16029 1 536 . 1 1 51 51 PRO CB C 13 31.996 0.400 . 1 . . . . 51 PRO CB . 16029 1 537 . 1 1 51 51 PRO CD C 13 51.697 0.400 . 1 . . . . 51 PRO CD . 16029 1 538 . 1 1 51 51 PRO CG C 13 27.998 0.400 . 1 . . . . 51 PRO CG . 16029 1 539 . 1 1 52 52 ILE H H 1 8.530 0.020 . 1 . . . . 52 ILE H . 16029 1 540 . 1 1 52 52 ILE HA H 1 3.764 0.020 . 1 . . . . 52 ILE HA . 16029 1 541 . 1 1 52 52 ILE HB H 1 1.705 0.020 . 1 . . . . 52 ILE HB . 16029 1 542 . 1 1 52 52 ILE HD11 H 1 0.801 0.020 . 1 . . . . 52 ILE HD1 . 16029 1 543 . 1 1 52 52 ILE HD12 H 1 0.801 0.020 . 1 . . . . 52 ILE HD1 . 16029 1 544 . 1 1 52 52 ILE HD13 H 1 0.801 0.020 . 1 . . . . 52 ILE HD1 . 16029 1 545 . 1 1 52 52 ILE HG12 H 1 1.012 0.020 . 1 . . . . 52 ILE HG12 . 16029 1 546 . 1 1 52 52 ILE HG13 H 1 1.412 0.020 . 1 . . . . 52 ILE HG13 . 16029 1 547 . 1 1 52 52 ILE HG21 H 1 0.907 0.020 . 1 . . . . 52 ILE HG2 . 16029 1 548 . 1 1 52 52 ILE HG22 H 1 0.907 0.020 . 1 . . . . 52 ILE HG2 . 16029 1 549 . 1 1 52 52 ILE HG23 H 1 0.907 0.020 . 1 . . . . 52 ILE HG2 . 16029 1 550 . 1 1 52 52 ILE C C 13 179.363 0.400 . 1 . . . . 52 ILE C . 16029 1 551 . 1 1 52 52 ILE CA C 13 64.855 0.400 . 1 . . . . 52 ILE CA . 16029 1 552 . 1 1 52 52 ILE CB C 13 38.109 0.400 . 1 . . . . 52 ILE CB . 16029 1 553 . 1 1 52 52 ILE CD1 C 13 13.174 0.400 . 1 . . . . 52 ILE CD1 . 16029 1 554 . 1 1 52 52 ILE CG1 C 13 28.511 0.400 . 1 . . . . 52 ILE CG1 . 16029 1 555 . 1 1 52 52 ILE CG2 C 13 17.919 0.400 . 1 . . . . 52 ILE CG2 . 16029 1 556 . 1 1 52 52 ILE N N 15 125.501 0.400 . 1 . . . . 52 ILE N . 16029 1 557 . 1 1 53 53 LYS H H 1 8.603 0.020 . 1 . . . . 53 LYS H . 16029 1 558 . 1 1 53 53 LYS HA H 1 4.180 0.020 . 1 . . . . 53 LYS HA . 16029 1 559 . 1 1 53 53 LYS HB2 H 1 1.849 0.020 . 2 . . . . 53 LYS HB2 . 16029 1 560 . 1 1 53 53 LYS HB3 H 1 1.849 0.020 . 2 . . . . 53 LYS HB3 . 16029 1 561 . 1 1 53 53 LYS HD2 H 1 1.694 0.020 . 2 . . . . 53 LYS HD2 . 16029 1 562 . 1 1 53 53 LYS HD3 H 1 1.694 0.020 . 2 . . . . 53 LYS HD3 . 16029 1 563 . 1 1 53 53 LYS HE2 H 1 2.905 0.020 . 2 . . . . 53 LYS HE2 . 16029 1 564 . 1 1 53 53 LYS HE3 H 1 2.905 0.020 . 2 . . . . 53 LYS HE3 . 16029 1 565 . 1 1 53 53 LYS HG2 H 1 1.457 0.020 . 2 . . . . 53 LYS HG2 . 16029 1 566 . 1 1 53 53 LYS HG3 H 1 1.457 0.020 . 2 . . . . 53 LYS HG3 . 16029 1 567 . 1 1 53 53 LYS C C 13 177.113 0.400 . 1 . . . . 53 LYS C . 16029 1 568 . 1 1 53 53 LYS CA C 13 57.816 0.400 . 1 . . . . 53 LYS CA . 16029 1 569 . 1 1 53 53 LYS CB C 13 31.992 0.400 . 1 . . . . 53 LYS CB . 16029 1 570 . 1 1 53 53 LYS CD C 13 28.933 0.400 . 1 . . . . 53 LYS CD . 16029 1 571 . 1 1 53 53 LYS CE C 13 42.056 0.400 . 1 . . . . 53 LYS CE . 16029 1 572 . 1 1 53 53 LYS CG C 13 25.004 0.400 . 1 . . . . 53 LYS CG . 16029 1 573 . 1 1 53 53 LYS N N 15 117.464 0.400 . 1 . . . . 53 LYS N . 16029 1 574 . 1 1 54 54 ARG H H 1 7.479 0.020 . 1 . . . . 54 ARG H . 16029 1 575 . 1 1 54 54 ARG HA H 1 4.361 0.020 . 1 . . . . 54 ARG HA . 16029 1 576 . 1 1 54 54 ARG HB2 H 1 1.711 0.020 . 2 . . . . 54 ARG HB2 . 16029 1 577 . 1 1 54 54 ARG HB3 H 1 2.219 0.020 . 2 . . . . 54 ARG HB3 . 16029 1 578 . 1 1 54 54 ARG HD2 H 1 3.307 0.020 . 2 . . . . 54 ARG HD2 . 16029 1 579 . 1 1 54 54 ARG HD3 H 1 3.131 0.020 . 2 . . . . 54 ARG HD3 . 16029 1 580 . 1 1 54 54 ARG HG2 H 1 1.643 0.020 . 2 . . . . 54 ARG HG2 . 16029 1 581 . 1 1 54 54 ARG HG3 H 1 1.796 0.020 . 2 . . . . 54 ARG HG3 . 16029 1 582 . 1 1 54 54 ARG C C 13 175.507 0.400 . 1 . . . . 54 ARG C . 16029 1 583 . 1 1 54 54 ARG CA C 13 56.051 0.400 . 1 . . . . 54 ARG CA . 16029 1 584 . 1 1 54 54 ARG CB C 13 31.559 0.400 . 1 . . . . 54 ARG CB . 16029 1 585 . 1 1 54 54 ARG CD C 13 43.383 0.400 . 1 . . . . 54 ARG CD . 16029 1 586 . 1 1 54 54 ARG CG C 13 27.829 0.400 . 1 . . . . 54 ARG CG . 16029 1 587 . 1 1 54 54 ARG N N 15 114.601 0.400 . 1 . . . . 54 ARG N . 16029 1 588 . 1 1 55 55 MET H H 1 7.479 0.020 . 1 . . . . 55 MET H . 16029 1 589 . 1 1 55 55 MET HA H 1 4.435 0.020 . 1 . . . . 55 MET HA . 16029 1 590 . 1 1 55 55 MET HB2 H 1 1.721 0.020 . 1 . . . . 55 MET HB2 . 16029 1 591 . 1 1 55 55 MET HB3 H 1 2.166 0.020 . 1 . . . . 55 MET HB3 . 16029 1 592 . 1 1 55 55 MET HE1 H 1 2.179 0.020 . 1 . . . . 55 MET HE . 16029 1 593 . 1 1 55 55 MET HE2 H 1 2.179 0.020 . 1 . . . . 55 MET HE . 16029 1 594 . 1 1 55 55 MET HE3 H 1 2.179 0.020 . 1 . . . . 55 MET HE . 16029 1 595 . 1 1 55 55 MET HG2 H 1 2.676 0.020 . 1 . . . . 55 MET HG2 . 16029 1 596 . 1 1 55 55 MET HG3 H 1 2.218 0.020 . 1 . . . . 55 MET HG3 . 16029 1 597 . 1 1 55 55 MET C C 13 175.276 0.400 . 1 . . . . 55 MET C . 16029 1 598 . 1 1 55 55 MET CA C 13 57.365 0.400 . 1 . . . . 55 MET CA . 16029 1 599 . 1 1 55 55 MET CB C 13 35.142 0.400 . 1 . . . . 55 MET CB . 16029 1 600 . 1 1 55 55 MET CE C 13 17.783 0.400 . 1 . . . . 55 MET CE . 16029 1 601 . 1 1 55 55 MET CG C 13 32.387 0.400 . 1 . . . . 55 MET CG . 16029 1 602 . 1 1 55 55 MET N N 15 116.986 0.400 . 1 . . . . 55 MET N . 16029 1 603 . 1 1 56 56 GLN H H 1 8.958 0.020 . 1 . . . . 56 GLN H . 16029 1 604 . 1 1 56 56 GLN HA H 1 4.502 0.020 . 1 . . . . 56 GLN HA . 16029 1 605 . 1 1 56 56 GLN HB2 H 1 2.042 0.020 . 2 . . . . 56 GLN HB2 . 16029 1 606 . 1 1 56 56 GLN HB3 H 1 1.981 0.020 . 2 . . . . 56 GLN HB3 . 16029 1 607 . 1 1 56 56 GLN HE21 H 1 7.379 0.020 . 2 . . . . 56 GLN HE21 . 16029 1 608 . 1 1 56 56 GLN HE22 H 1 6.672 0.020 . 2 . . . . 56 GLN HE22 . 16029 1 609 . 1 1 56 56 GLN HG2 H 1 2.163 0.020 . 2 . . . . 56 GLN HG2 . 16029 1 610 . 1 1 56 56 GLN HG3 H 1 2.163 0.020 . 2 . . . . 56 GLN HG3 . 16029 1 611 . 1 1 56 56 GLN C C 13 173.429 0.400 . 1 . . . . 56 GLN C . 16029 1 612 . 1 1 56 56 GLN CA C 13 54.982 0.400 . 1 . . . . 56 GLN CA . 16029 1 613 . 1 1 56 56 GLN CB C 13 32.420 0.400 . 1 . . . . 56 GLN CB . 16029 1 614 . 1 1 56 56 GLN CG C 13 34.616 0.400 . 1 . . . . 56 GLN CG . 16029 1 615 . 1 1 56 56 GLN N N 15 124.094 0.400 . 1 . . . . 56 GLN N . 16029 1 616 . 1 1 56 56 GLN NE2 N 15 111.534 0.400 . 1 . . . . 56 GLN NE2 . 16029 1 617 . 1 1 57 57 LEU H H 1 8.603 0.020 . 1 . . . . 57 LEU H . 16029 1 618 . 1 1 57 57 LEU HA H 1 5.190 0.020 . 1 . . . . 57 LEU HA . 16029 1 619 . 1 1 57 57 LEU HB2 H 1 1.179 0.020 . 1 . . . . 57 LEU HB2 . 16029 1 620 . 1 1 57 57 LEU HB3 H 1 1.512 0.020 . 1 . . . . 57 LEU HB3 . 16029 1 621 . 1 1 57 57 LEU HD11 H 1 0.761 0.020 . 1 . . . . 57 LEU HD1 . 16029 1 622 . 1 1 57 57 LEU HD12 H 1 0.761 0.020 . 1 . . . . 57 LEU HD1 . 16029 1 623 . 1 1 57 57 LEU HD13 H 1 0.761 0.020 . 1 . . . . 57 LEU HD1 . 16029 1 624 . 1 1 57 57 LEU HD21 H 1 0.704 0.020 . 1 . . . . 57 LEU HD2 . 16029 1 625 . 1 1 57 57 LEU HD22 H 1 0.704 0.020 . 1 . . . . 57 LEU HD2 . 16029 1 626 . 1 1 57 57 LEU HD23 H 1 0.704 0.020 . 1 . . . . 57 LEU HD2 . 16029 1 627 . 1 1 57 57 LEU HG H 1 1.537 0.020 . 1 . . . . 57 LEU HG . 16029 1 628 . 1 1 57 57 LEU C C 13 175.421 0.400 . 1 . . . . 57 LEU C . 16029 1 629 . 1 1 57 57 LEU CA C 13 53.437 0.400 . 1 . . . . 57 LEU CA . 16029 1 630 . 1 1 57 57 LEU CB C 13 44.367 0.400 . 1 . . . . 57 LEU CB . 16029 1 631 . 1 1 57 57 LEU CD1 C 13 25.888 0.400 . 1 . . . . 57 LEU CD1 . 16029 1 632 . 1 1 57 57 LEU CD2 C 13 25.310 0.400 . 1 . . . . 57 LEU CD2 . 16029 1 633 . 1 1 57 57 LEU CG C 13 28.069 0.400 . 1 . . . . 57 LEU CG . 16029 1 634 . 1 1 57 57 LEU N N 15 124.534 0.400 . 1 . . . . 57 LEU N . 16029 1 635 . 1 1 58 58 TYR H H 1 9.319 0.020 . 1 . . . . 58 TYR H . 16029 1 636 . 1 1 58 58 TYR HA H 1 5.145 0.020 . 1 . . . . 58 TYR HA . 16029 1 637 . 1 1 58 58 TYR HB2 H 1 2.733 0.020 . 1 . . . . 58 TYR HB2 . 16029 1 638 . 1 1 58 58 TYR HB3 H 1 2.546 0.020 . 1 . . . . 58 TYR HB3 . 16029 1 639 . 1 1 58 58 TYR HD1 H 1 6.626 0.020 . 1 . . . . 58 TYR HD1 . 16029 1 640 . 1 1 58 58 TYR HD2 H 1 6.626 0.020 . 1 . . . . 58 TYR HD2 . 16029 1 641 . 1 1 58 58 TYR HE1 H 1 6.463 0.020 . 1 . . . . 58 TYR HE1 . 16029 1 642 . 1 1 58 58 TYR HE2 H 1 6.463 0.020 . 1 . . . . 58 TYR HE2 . 16029 1 643 . 1 1 58 58 TYR C C 13 174.821 0.400 . 1 . . . . 58 TYR C . 16029 1 644 . 1 1 58 58 TYR CA C 13 56.503 0.400 . 1 . . . . 58 TYR CA . 16029 1 645 . 1 1 58 58 TYR CB C 13 43.323 0.400 . 1 . . . . 58 TYR CB . 16029 1 646 . 1 1 58 58 TYR CD1 C 13 132.233 0.400 . 1 . . . . 58 TYR CD1 . 16029 1 647 . 1 1 58 58 TYR CE1 C 13 117.390 0.400 . 1 . . . . 58 TYR CE1 . 16029 1 648 . 1 1 58 58 TYR N N 15 119.746 0.400 . 1 . . . . 58 TYR N . 16029 1 649 . 1 1 59 59 TYR H H 1 8.993 0.020 . 1 . . . . 59 TYR H . 16029 1 650 . 1 1 59 59 TYR HA H 1 5.173 0.020 . 1 . . . . 59 TYR HA . 16029 1 651 . 1 1 59 59 TYR HB2 H 1 2.855 0.020 . 2 . . . . 59 TYR HB2 . 16029 1 652 . 1 1 59 59 TYR HB3 H 1 2.636 0.020 . 2 . . . . 59 TYR HB3 . 16029 1 653 . 1 1 59 59 TYR HD1 H 1 7.312 0.020 . 1 . . . . 59 TYR HD1 . 16029 1 654 . 1 1 59 59 TYR HD2 H 1 7.312 0.020 . 1 . . . . 59 TYR HD2 . 16029 1 655 . 1 1 59 59 TYR HE1 H 1 6.961 0.020 . 1 . . . . 59 TYR HE1 . 16029 1 656 . 1 1 59 59 TYR HE2 H 1 6.961 0.020 . 1 . . . . 59 TYR HE2 . 16029 1 657 . 1 1 59 59 TYR C C 13 174.980 0.400 . 1 . . . . 59 TYR C . 16029 1 658 . 1 1 59 59 TYR CA C 13 55.625 0.400 . 1 . . . . 59 TYR CA . 16029 1 659 . 1 1 59 59 TYR CB C 13 41.981 0.400 . 1 . . . . 59 TYR CB . 16029 1 660 . 1 1 59 59 TYR CD1 C 13 133.488 0.400 . 1 . . . . 59 TYR CD1 . 16029 1 661 . 1 1 59 59 TYR CE1 C 13 118.626 0.400 . 1 . . . . 59 TYR CE1 . 16029 1 662 . 1 1 59 59 TYR N N 15 120.286 0.400 . 1 . . . . 59 TYR N . 16029 1 663 . 1 1 60 60 SER H H 1 9.320 0.020 . 1 . . . . 60 SER H . 16029 1 664 . 1 1 60 60 SER HA H 1 3.668 0.020 . 1 . . . . 60 SER HA . 16029 1 665 . 1 1 60 60 SER HB2 H 1 2.968 0.020 . 2 . . . . 60 SER HB2 . 16029 1 666 . 1 1 60 60 SER HB3 H 1 3.791 0.020 . 2 . . . . 60 SER HB3 . 16029 1 667 . 1 1 60 60 SER C C 13 174.893 0.400 . 1 . . . . 60 SER C . 16029 1 668 . 1 1 60 60 SER CA C 13 57.815 0.400 . 1 . . . . 60 SER CA . 16029 1 669 . 1 1 60 60 SER CB C 13 62.602 0.400 . 1 . . . . 60 SER CB . 16029 1 670 . 1 1 60 60 SER N N 15 125.263 0.400 . 1 . . . . 60 SER N . 16029 1 671 . 1 1 61 61 GLY H H 1 8.649 0.020 . 1 . . . . 61 GLY H . 16029 1 672 . 1 1 61 61 GLY HA2 H 1 4.035 0.020 . 2 . . . . 61 GLY HA2 . 16029 1 673 . 1 1 61 61 GLY HA3 H 1 3.409 0.020 . 2 . . . . 61 GLY HA3 . 16029 1 674 . 1 1 61 61 GLY C C 13 173.346 0.400 . 1 . . . . 61 GLY C . 16029 1 675 . 1 1 61 61 GLY CA C 13 44.726 0.400 . 1 . . . . 61 GLY CA . 16029 1 676 . 1 1 62 62 ILE H H 1 8.128 0.020 . 1 . . . . 62 ILE H . 16029 1 677 . 1 1 62 62 ILE HA H 1 4.304 0.020 . 1 . . . . 62 ILE HA . 16029 1 678 . 1 1 62 62 ILE HB H 1 2.226 0.020 . 1 . . . . 62 ILE HB . 16029 1 679 . 1 1 62 62 ILE HD11 H 1 0.977 0.020 . 1 . . . . 62 ILE HD1 . 16029 1 680 . 1 1 62 62 ILE HD12 H 1 0.977 0.020 . 1 . . . . 62 ILE HD1 . 16029 1 681 . 1 1 62 62 ILE HD13 H 1 0.977 0.020 . 1 . . . . 62 ILE HD1 . 16029 1 682 . 1 1 62 62 ILE HG12 H 1 1.578 0.020 . 2 . . . . 62 ILE HG12 . 16029 1 683 . 1 1 62 62 ILE HG13 H 1 1.237 0.020 . 2 . . . . 62 ILE HG13 . 16029 1 684 . 1 1 62 62 ILE HG21 H 1 1.050 0.020 . 1 . . . . 62 ILE HG2 . 16029 1 685 . 1 1 62 62 ILE HG22 H 1 1.050 0.020 . 1 . . . . 62 ILE HG2 . 16029 1 686 . 1 1 62 62 ILE HG23 H 1 1.050 0.020 . 1 . . . . 62 ILE HG2 . 16029 1 687 . 1 1 62 62 ILE C C 13 174.950 0.400 . 1 . . . . 62 ILE C . 16029 1 688 . 1 1 62 62 ILE CA C 13 59.396 0.400 . 1 . . . . 62 ILE CA . 16029 1 689 . 1 1 62 62 ILE CB C 13 39.110 0.400 . 1 . . . . 62 ILE CB . 16029 1 690 . 1 1 62 62 ILE CD1 C 13 12.314 0.400 . 1 . . . . 62 ILE CD1 . 16029 1 691 . 1 1 62 62 ILE CG1 C 13 27.157 0.400 . 1 . . . . 62 ILE CG1 . 16029 1 692 . 1 1 62 62 ILE CG2 C 13 17.399 0.400 . 1 . . . . 62 ILE CG2 . 16029 1 693 . 1 1 62 62 ILE N N 15 123.077 0.400 . 1 . . . . 62 ILE N . 16029 1 694 . 1 1 63 63 GLU H H 1 8.697 0.020 . 1 . . . . 63 GLU H . 16029 1 695 . 1 1 63 63 GLU HA H 1 3.534 0.020 . 1 . . . . 63 GLU HA . 16029 1 696 . 1 1 63 63 GLU HB2 H 1 1.579 0.020 . 2 . . . . 63 GLU HB2 . 16029 1 697 . 1 1 63 63 GLU HB3 H 1 1.727 0.020 . 2 . . . . 63 GLU HB3 . 16029 1 698 . 1 1 63 63 GLU HG2 H 1 1.532 0.020 . 2 . . . . 63 GLU HG2 . 16029 1 699 . 1 1 63 63 GLU HG3 H 1 1.532 0.020 . 2 . . . . 63 GLU HG3 . 16029 1 700 . 1 1 63 63 GLU C C 13 177.156 0.400 . 1 . . . . 63 GLU C . 16029 1 701 . 1 1 63 63 GLU CA C 13 55.231 0.400 . 1 . . . . 63 GLU CA . 16029 1 702 . 1 1 63 63 GLU CB C 13 29.804 0.400 . 1 . . . . 63 GLU CB . 16029 1 703 . 1 1 63 63 GLU CG C 13 35.267 0.400 . 1 . . . . 63 GLU CG . 16029 1 704 . 1 1 63 63 GLU N N 15 127.682 0.400 . 1 . . . . 63 GLU N . 16029 1 705 . 1 1 64 64 LEU H H 1 8.791 0.020 . 1 . . . . 64 LEU H . 16029 1 706 . 1 1 64 64 LEU HA H 1 3.954 0.020 . 1 . . . . 64 LEU HA . 16029 1 707 . 1 1 64 64 LEU HB2 H 1 0.875 0.020 . 1 . . . . 64 LEU HB2 . 16029 1 708 . 1 1 64 64 LEU HB3 H 1 1.470 0.020 . 1 . . . . 64 LEU HB3 . 16029 1 709 . 1 1 64 64 LEU HD11 H 1 0.445 0.020 . 1 . . . . 64 LEU HD1 . 16029 1 710 . 1 1 64 64 LEU HD12 H 1 0.445 0.020 . 1 . . . . 64 LEU HD1 . 16029 1 711 . 1 1 64 64 LEU HD13 H 1 0.445 0.020 . 1 . . . . 64 LEU HD1 . 16029 1 712 . 1 1 64 64 LEU HD21 H 1 -0.025 0.020 . 1 . . . . 64 LEU HD2 . 16029 1 713 . 1 1 64 64 LEU HD22 H 1 -0.025 0.020 . 1 . . . . 64 LEU HD2 . 16029 1 714 . 1 1 64 64 LEU HD23 H 1 -0.025 0.020 . 1 . . . . 64 LEU HD2 . 16029 1 715 . 1 1 64 64 LEU HG H 1 0.930 0.020 . 1 . . . . 64 LEU HG . 16029 1 716 . 1 1 64 64 LEU C C 13 176.428 0.400 . 1 . . . . 64 LEU C . 16029 1 717 . 1 1 64 64 LEU CA C 13 52.211 0.400 . 1 . . . . 64 LEU CA . 16029 1 718 . 1 1 64 64 LEU CB C 13 37.239 0.400 . 1 . . . . 64 LEU CB . 16029 1 719 . 1 1 64 64 LEU CD1 C 13 25.415 0.400 . 1 . . . . 64 LEU CD1 . 16029 1 720 . 1 1 64 64 LEU CD2 C 13 21.934 0.400 . 1 . . . . 64 LEU CD2 . 16029 1 721 . 1 1 64 64 LEU CG C 13 25.795 0.400 . 1 . . . . 64 LEU CG . 16029 1 722 . 1 1 64 64 LEU N N 15 130.005 0.400 . 1 . . . . 64 LEU N . 16029 1 723 . 1 1 65 65 ALA H H 1 7.369 0.020 . 1 . . . . 65 ALA H . 16029 1 724 . 1 1 65 65 ALA HA H 1 4.052 0.020 . 1 . . . . 65 ALA HA . 16029 1 725 . 1 1 65 65 ALA HB1 H 1 1.271 0.020 . 1 . . . . 65 ALA HB . 16029 1 726 . 1 1 65 65 ALA HB2 H 1 1.271 0.020 . 1 . . . . 65 ALA HB . 16029 1 727 . 1 1 65 65 ALA HB3 H 1 1.271 0.020 . 1 . . . . 65 ALA HB . 16029 1 728 . 1 1 65 65 ALA C C 13 176.322 0.400 . 1 . . . . 65 ALA C . 16029 1 729 . 1 1 65 65 ALA CA C 13 53.207 0.400 . 1 . . . . 65 ALA CA . 16029 1 730 . 1 1 65 65 ALA CB C 13 20.170 0.400 . 1 . . . . 65 ALA CB . 16029 1 731 . 1 1 65 65 ALA N N 15 124.744 0.400 . 1 . . . . 65 ALA N . 16029 1 732 . 1 1 66 66 ASP H H 1 7.472 0.020 . 1 . . . . 66 ASP H . 16029 1 733 . 1 1 66 66 ASP HA H 1 4.857 0.020 . 1 . . . . 66 ASP HA . 16029 1 734 . 1 1 66 66 ASP HB2 H 1 2.544 0.020 . 2 . . . . 66 ASP HB2 . 16029 1 735 . 1 1 66 66 ASP HB3 H 1 2.457 0.020 . 2 . . . . 66 ASP HB3 . 16029 1 736 . 1 1 66 66 ASP C C 13 175.635 0.400 . 1 . . . . 66 ASP C . 16029 1 737 . 1 1 66 66 ASP CA C 13 52.192 0.400 . 1 . . . . 66 ASP CA . 16029 1 738 . 1 1 66 66 ASP CB C 13 41.603 0.400 . 1 . . . . 66 ASP CB . 16029 1 739 . 1 1 66 66 ASP N N 15 117.457 0.400 . 1 . . . . 66 ASP N . 16029 1 740 . 1 1 67 67 ASP H H 1 8.541 0.020 . 1 . . . . 67 ASP H . 16029 1 741 . 1 1 67 67 ASP HA H 1 4.209 0.020 . 1 . . . . 67 ASP HA . 16029 1 742 . 1 1 67 67 ASP HB2 H 1 2.315 0.020 . 2 . . . . 67 ASP HB2 . 16029 1 743 . 1 1 67 67 ASP HB3 H 1 2.315 0.020 . 2 . . . . 67 ASP HB3 . 16029 1 744 . 1 1 67 67 ASP C C 13 176.292 0.400 . 1 . . . . 67 ASP C . 16029 1 745 . 1 1 67 67 ASP CA C 13 56.925 0.400 . 1 . . . . 67 ASP CA . 16029 1 746 . 1 1 67 67 ASP CB C 13 40.835 0.400 . 1 . . . . 67 ASP CB . 16029 1 747 . 1 1 67 67 ASP N N 15 124.544 0.400 . 1 . . . . 67 ASP N . 16029 1 748 . 1 1 68 68 TYR H H 1 7.701 0.020 . 1 . . . . 68 TYR H . 16029 1 749 . 1 1 68 68 TYR HA H 1 4.589 0.020 . 1 . . . . 68 TYR HA . 16029 1 750 . 1 1 68 68 TYR HB2 H 1 3.200 0.020 . 2 . . . . 68 TYR HB2 . 16029 1 751 . 1 1 68 68 TYR HB3 H 1 3.039 0.020 . 2 . . . . 68 TYR HB3 . 16029 1 752 . 1 1 68 68 TYR HD1 H 1 7.196 0.020 . 1 . . . . 68 TYR HD1 . 16029 1 753 . 1 1 68 68 TYR HD2 H 1 7.196 0.020 . 1 . . . . 68 TYR HD2 . 16029 1 754 . 1 1 68 68 TYR HE1 H 1 6.893 0.020 . 1 . . . . 68 TYR HE1 . 16029 1 755 . 1 1 68 68 TYR HE2 H 1 6.893 0.020 . 1 . . . . 68 TYR HE2 . 16029 1 756 . 1 1 68 68 TYR C C 13 175.742 0.400 . 1 . . . . 68 TYR C . 16029 1 757 . 1 1 68 68 TYR CA C 13 56.622 0.400 . 1 . . . . 68 TYR CA . 16029 1 758 . 1 1 68 68 TYR CB C 13 37.607 0.400 . 1 . . . . 68 TYR CB . 16029 1 759 . 1 1 68 68 TYR CD1 C 13 133.072 0.400 . 1 . . . . 68 TYR CD1 . 16029 1 760 . 1 1 68 68 TYR CE1 C 13 118.211 0.400 . 1 . . . . 68 TYR CE1 . 16029 1 761 . 1 1 68 68 TYR N N 15 112.752 0.400 . 1 . . . . 68 TYR N . 16029 1 762 . 1 1 69 69 ARG H H 1 7.182 0.020 . 1 . . . . 69 ARG H . 16029 1 763 . 1 1 69 69 ARG HA H 1 4.245 0.020 . 1 . . . . 69 ARG HA . 16029 1 764 . 1 1 69 69 ARG HB2 H 1 1.746 0.020 . 2 . . . . 69 ARG HB2 . 16029 1 765 . 1 1 69 69 ARG HB3 H 1 1.746 0.020 . 2 . . . . 69 ARG HB3 . 16029 1 766 . 1 1 69 69 ARG HD2 H 1 2.843 0.020 . 2 . . . . 69 ARG HD2 . 16029 1 767 . 1 1 69 69 ARG HD3 H 1 2.843 0.020 . 2 . . . . 69 ARG HD3 . 16029 1 768 . 1 1 69 69 ARG HE H 1 7.439 0.020 . 1 . . . . 69 ARG HE . 16029 1 769 . 1 1 69 69 ARG HG2 H 1 1.436 0.020 . 2 . . . . 69 ARG HG2 . 16029 1 770 . 1 1 69 69 ARG HG3 H 1 1.595 0.020 . 2 . . . . 69 ARG HG3 . 16029 1 771 . 1 1 69 69 ARG C C 13 175.443 0.400 . 1 . . . . 69 ARG C . 16029 1 772 . 1 1 69 69 ARG CA C 13 56.056 0.400 . 1 . . . . 69 ARG CA . 16029 1 773 . 1 1 69 69 ARG CB C 13 31.536 0.400 . 1 . . . . 69 ARG CB . 16029 1 774 . 1 1 69 69 ARG CD C 13 42.493 0.400 . 1 . . . . 69 ARG CD . 16029 1 775 . 1 1 69 69 ARG CG C 13 28.048 0.400 . 1 . . . . 69 ARG CG . 16029 1 776 . 1 1 69 69 ARG N N 15 122.155 0.400 . 1 . . . . 69 ARG N . 16029 1 777 . 1 1 69 69 ARG NE N 15 84.788 0.400 . 1 . . . . 69 ARG NE . 16029 1 778 . 1 1 70 70 ASN H H 1 8.749 0.020 . 1 . . . . 70 ASN H . 16029 1 779 . 1 1 70 70 ASN HA H 1 5.068 0.020 . 1 . . . . 70 ASN HA . 16029 1 780 . 1 1 70 70 ASN HB2 H 1 2.764 0.020 . 2 . . . . 70 ASN HB2 . 16029 1 781 . 1 1 70 70 ASN HB3 H 1 2.764 0.020 . 2 . . . . 70 ASN HB3 . 16029 1 782 . 1 1 70 70 ASN HD21 H 1 7.432 0.020 . 2 . . . . 70 ASN HD21 . 16029 1 783 . 1 1 70 70 ASN HD22 H 1 6.919 0.020 . 2 . . . . 70 ASN HD22 . 16029 1 784 . 1 1 70 70 ASN C C 13 177.349 0.400 . 1 . . . . 70 ASN C . 16029 1 785 . 1 1 70 70 ASN CA C 13 52.528 0.400 . 1 . . . . 70 ASN CA . 16029 1 786 . 1 1 70 70 ASN CB C 13 39.856 0.400 . 1 . . . . 70 ASN CB . 16029 1 787 . 1 1 70 70 ASN N N 15 120.300 0.400 . 1 . . . . 70 ASN N . 16029 1 788 . 1 1 70 70 ASN ND2 N 15 110.817 0.400 . 1 . . . . 70 ASN ND2 . 16029 1 789 . 1 1 71 71 LEU H H 1 8.603 0.020 . 1 . . . . 71 LEU H . 16029 1 790 . 1 1 71 71 LEU HA H 1 3.943 0.020 . 1 . . . . 71 LEU HA . 16029 1 791 . 1 1 71 71 LEU HB2 H 1 1.867 0.020 . 1 . . . . 71 LEU HB2 . 16029 1 792 . 1 1 71 71 LEU HB3 H 1 1.165 0.020 . 1 . . . . 71 LEU HB3 . 16029 1 793 . 1 1 71 71 LEU HD11 H 1 0.747 0.020 . 1 . . . . 71 LEU HD1 . 16029 1 794 . 1 1 71 71 LEU HD12 H 1 0.747 0.020 . 1 . . . . 71 LEU HD1 . 16029 1 795 . 1 1 71 71 LEU HD13 H 1 0.747 0.020 . 1 . . . . 71 LEU HD1 . 16029 1 796 . 1 1 71 71 LEU HD21 H 1 0.624 0.020 . 1 . . . . 71 LEU HD2 . 16029 1 797 . 1 1 71 71 LEU HD22 H 1 0.624 0.020 . 1 . . . . 71 LEU HD2 . 16029 1 798 . 1 1 71 71 LEU HD23 H 1 0.624 0.020 . 1 . . . . 71 LEU HD2 . 16029 1 799 . 1 1 71 71 LEU HG H 1 1.800 0.020 . 1 . . . . 71 LEU HG . 16029 1 800 . 1 1 71 71 LEU C C 13 179.470 0.400 . 1 . . . . 71 LEU C . 16029 1 801 . 1 1 71 71 LEU CA C 13 58.074 0.400 . 1 . . . . 71 LEU CA . 16029 1 802 . 1 1 71 71 LEU CB C 13 39.446 0.400 . 1 . . . . 71 LEU CB . 16029 1 803 . 1 1 71 71 LEU CD1 C 13 26.309 0.400 . 1 . . . . 71 LEU CD1 . 16029 1 804 . 1 1 71 71 LEU CD2 C 13 21.921 0.400 . 1 . . . . 71 LEU CD2 . 16029 1 805 . 1 1 71 71 LEU CG C 13 26.178 0.400 . 1 . . . . 71 LEU CG . 16029 1 806 . 1 1 71 71 LEU N N 15 118.872 0.400 . 1 . . . . 71 LEU N . 16029 1 807 . 1 1 72 72 ASN H H 1 8.561 0.020 . 1 . . . . 72 ASN H . 16029 1 808 . 1 1 72 72 ASN HA H 1 4.394 0.020 . 1 . . . . 72 ASN HA . 16029 1 809 . 1 1 72 72 ASN HB2 H 1 2.857 0.020 . 2 . . . . 72 ASN HB2 . 16029 1 810 . 1 1 72 72 ASN HB3 H 1 2.759 0.020 . 2 . . . . 72 ASN HB3 . 16029 1 811 . 1 1 72 72 ASN HD21 H 1 7.602 0.020 . 2 . . . . 72 ASN HD21 . 16029 1 812 . 1 1 72 72 ASN HD22 H 1 6.853 0.020 . 2 . . . . 72 ASN HD22 . 16029 1 813 . 1 1 72 72 ASN C C 13 178.592 0.400 . 1 . . . . 72 ASN C . 16029 1 814 . 1 1 72 72 ASN CA C 13 56.065 0.400 . 1 . . . . 72 ASN CA . 16029 1 815 . 1 1 72 72 ASN CB C 13 37.663 0.400 . 1 . . . . 72 ASN CB . 16029 1 816 . 1 1 72 72 ASN N N 15 115.744 0.400 . 1 . . . . 72 ASN N . 16029 1 817 . 1 1 72 72 ASN ND2 N 15 112.708 0.400 . 1 . . . . 72 ASN ND2 . 16029 1 818 . 1 1 73 73 GLU H H 1 7.979 0.020 . 1 . . . . 73 GLU H . 16029 1 819 . 1 1 73 73 GLU HA H 1 4.041 0.020 . 1 . . . . 73 GLU HA . 16029 1 820 . 1 1 73 73 GLU HB2 H 1 1.964 0.020 . 2 . . . . 73 GLU HB2 . 16029 1 821 . 1 1 73 73 GLU HB3 H 1 1.964 0.020 . 2 . . . . 73 GLU HB3 . 16029 1 822 . 1 1 73 73 GLU HG2 H 1 2.335 0.020 . 2 . . . . 73 GLU HG2 . 16029 1 823 . 1 1 73 73 GLU HG3 H 1 2.209 0.020 . 2 . . . . 73 GLU HG3 . 16029 1 824 . 1 1 73 73 GLU C C 13 177.778 0.400 . 1 . . . . 73 GLU C . 16029 1 825 . 1 1 73 73 GLU CA C 13 58.680 0.400 . 1 . . . . 73 GLU CA . 16029 1 826 . 1 1 73 73 GLU CB C 13 29.114 0.400 . 1 . . . . 73 GLU CB . 16029 1 827 . 1 1 73 73 GLU CG C 13 37.674 0.400 . 1 . . . . 73 GLU CG . 16029 1 828 . 1 1 73 73 GLU N N 15 121.014 0.400 . 1 . . . . 73 GLU N . 16029 1 829 . 1 1 74 74 TYR H H 1 7.500 0.020 . 1 . . . . 74 TYR H . 16029 1 830 . 1 1 74 74 TYR HA H 1 4.567 0.020 . 1 . . . . 74 TYR HA . 16029 1 831 . 1 1 74 74 TYR HB2 H 1 3.345 0.020 . 2 . . . . 74 TYR HB2 . 16029 1 832 . 1 1 74 74 TYR HB3 H 1 2.629 0.020 . 2 . . . . 74 TYR HB3 . 16029 1 833 . 1 1 74 74 TYR HD1 H 1 7.091 0.020 . 1 . . . . 74 TYR HD1 . 16029 1 834 . 1 1 74 74 TYR HD2 H 1 7.091 0.020 . 1 . . . . 74 TYR HD2 . 16029 1 835 . 1 1 74 74 TYR HE1 H 1 6.758 0.020 . 1 . . . . 74 TYR HE1 . 16029 1 836 . 1 1 74 74 TYR HE2 H 1 6.758 0.020 . 1 . . . . 74 TYR HE2 . 16029 1 837 . 1 1 74 74 TYR C C 13 175.592 0.400 . 1 . . . . 74 TYR C . 16029 1 838 . 1 1 74 74 TYR CA C 13 58.790 0.400 . 1 . . . . 74 TYR CA . 16029 1 839 . 1 1 74 74 TYR CB C 13 39.440 0.400 . 1 . . . . 74 TYR CB . 16029 1 840 . 1 1 74 74 TYR CD1 C 13 133.082 0.400 . 1 . . . . 74 TYR CD1 . 16029 1 841 . 1 1 74 74 TYR CE1 C 13 118.227 0.400 . 1 . . . . 74 TYR CE1 . 16029 1 842 . 1 1 74 74 TYR N N 15 115.573 0.400 . 1 . . . . 74 TYR N . 16029 1 843 . 1 1 75 75 GLY H H 1 7.702 0.020 . 1 . . . . 75 GLY H . 16029 1 844 . 1 1 75 75 GLY HA2 H 1 4.274 0.020 . 2 . . . . 75 GLY HA2 . 16029 1 845 . 1 1 75 75 GLY HA3 H 1 3.749 0.020 . 2 . . . . 75 GLY HA3 . 16029 1 846 . 1 1 75 75 GLY C C 13 174.007 0.400 . 1 . . . . 75 GLY C . 16029 1 847 . 1 1 75 75 GLY CA C 13 45.133 0.400 . 1 . . . . 75 GLY CA . 16029 1 848 . 1 1 75 75 GLY N N 15 105.620 0.400 . 1 . . . . 75 GLY N . 16029 1 849 . 1 1 76 76 ILE H H 1 6.628 0.020 . 1 . . . . 76 ILE H . 16029 1 850 . 1 1 76 76 ILE HA H 1 3.170 0.020 . 1 . . . . 76 ILE HA . 16029 1 851 . 1 1 76 76 ILE HB H 1 1.280 0.020 . 1 . . . . 76 ILE HB . 16029 1 852 . 1 1 76 76 ILE HD11 H 1 0.430 0.020 . 1 . . . . 76 ILE HD1 . 16029 1 853 . 1 1 76 76 ILE HD12 H 1 0.430 0.020 . 1 . . . . 76 ILE HD1 . 16029 1 854 . 1 1 76 76 ILE HD13 H 1 0.430 0.020 . 1 . . . . 76 ILE HD1 . 16029 1 855 . 1 1 76 76 ILE HG12 H 1 0.835 0.020 . 2 . . . . 76 ILE HG12 . 16029 1 856 . 1 1 76 76 ILE HG13 H 1 0.011 0.020 . 2 . . . . 76 ILE HG13 . 16029 1 857 . 1 1 76 76 ILE HG21 H 1 0.497 0.020 . 1 . . . . 76 ILE HG2 . 16029 1 858 . 1 1 76 76 ILE HG22 H 1 0.497 0.020 . 1 . . . . 76 ILE HG2 . 16029 1 859 . 1 1 76 76 ILE HG23 H 1 0.497 0.020 . 1 . . . . 76 ILE HG2 . 16029 1 860 . 1 1 76 76 ILE C C 13 174.607 0.400 . 1 . . . . 76 ILE C . 16029 1 861 . 1 1 76 76 ILE CA C 13 62.037 0.400 . 1 . . . . 76 ILE CA . 16029 1 862 . 1 1 76 76 ILE CB C 13 36.805 0.400 . 1 . . . . 76 ILE CB . 16029 1 863 . 1 1 76 76 ILE CD1 C 13 13.623 0.400 . 1 . . . . 76 ILE CD1 . 16029 1 864 . 1 1 76 76 ILE CG1 C 13 28.859 0.400 . 1 . . . . 76 ILE CG1 . 16029 1 865 . 1 1 76 76 ILE CG2 C 13 17.132 0.400 . 1 . . . . 76 ILE CG2 . 16029 1 866 . 1 1 76 76 ILE N N 15 120.041 0.400 . 1 . . . . 76 ILE N . 16029 1 867 . 1 1 77 77 THR H H 1 8.437 0.020 . 1 . . . . 77 THR H . 16029 1 868 . 1 1 77 77 THR HA H 1 4.420 0.020 . 1 . . . . 77 THR HA . 16029 1 869 . 1 1 77 77 THR HB H 1 4.148 0.020 . 1 . . . . 77 THR HB . 16029 1 870 . 1 1 77 77 THR HG21 H 1 1.193 0.020 . 1 . . . . 77 THR HG2 . 16029 1 871 . 1 1 77 77 THR HG22 H 1 1.193 0.020 . 1 . . . . 77 THR HG2 . 16029 1 872 . 1 1 77 77 THR HG23 H 1 1.193 0.020 . 1 . . . . 77 THR HG2 . 16029 1 873 . 1 1 77 77 THR C C 13 172.893 0.400 . 1 . . . . 77 THR C . 16029 1 874 . 1 1 77 77 THR CA C 13 58.687 0.400 . 1 . . . . 77 THR CA . 16029 1 875 . 1 1 77 77 THR CB C 13 70.917 0.400 . 1 . . . . 77 THR CB . 16029 1 876 . 1 1 77 77 THR CG2 C 13 19.451 0.400 . 1 . . . . 77 THR CG2 . 16029 1 877 . 1 1 77 77 THR N N 15 121.014 0.400 . 1 . . . . 77 THR N . 16029 1 878 . 1 1 78 78 GLU H H 1 8.235 0.020 . 1 . . . . 78 GLU H . 16029 1 879 . 1 1 78 78 GLU HA H 1 4.088 0.020 . 1 . . . . 78 GLU HA . 16029 1 880 . 1 1 78 78 GLU HB2 H 1 1.789 0.020 . 2 . . . . 78 GLU HB2 . 16029 1 881 . 1 1 78 78 GLU HB3 H 1 1.789 0.020 . 2 . . . . 78 GLU HB3 . 16029 1 882 . 1 1 78 78 GLU HG2 H 1 1.747 0.020 . 2 . . . . 78 GLU HG2 . 16029 1 883 . 1 1 78 78 GLU HG3 H 1 1.747 0.020 . 2 . . . . 78 GLU HG3 . 16029 1 884 . 1 1 78 78 GLU C C 13 177.242 0.400 . 1 . . . . 78 GLU C . 16029 1 885 . 1 1 78 78 GLU CA C 13 58.254 0.400 . 1 . . . . 78 GLU CA . 16029 1 886 . 1 1 78 78 GLU CB C 13 29.336 0.400 . 1 . . . . 78 GLU CB . 16029 1 887 . 1 1 78 78 GLU CG C 13 34.397 0.400 . 1 . . . . 78 GLU CG . 16029 1 888 . 1 1 78 78 GLU N N 15 121.643 0.400 . 1 . . . . 78 GLU N . 16029 1 889 . 1 1 79 79 PHE H H 1 9.152 0.020 . 1 . . . . 79 PHE H . 16029 1 890 . 1 1 79 79 PHE HA H 1 4.363 0.020 . 1 . . . . 79 PHE HA . 16029 1 891 . 1 1 79 79 PHE HB2 H 1 3.520 0.020 . 2 . . . . 79 PHE HB2 . 16029 1 892 . 1 1 79 79 PHE HB3 H 1 3.366 0.020 . 2 . . . . 79 PHE HB3 . 16029 1 893 . 1 1 79 79 PHE HD1 H 1 7.267 0.020 . 1 . . . . 79 PHE HD1 . 16029 1 894 . 1 1 79 79 PHE HD2 H 1 7.267 0.020 . 1 . . . . 79 PHE HD2 . 16029 1 895 . 1 1 79 79 PHE C C 13 176.385 0.400 . 1 . . . . 79 PHE C . 16029 1 896 . 1 1 79 79 PHE CA C 13 59.552 0.400 . 1 . . . . 79 PHE CA . 16029 1 897 . 1 1 79 79 PHE CB C 13 36.282 0.400 . 1 . . . . 79 PHE CB . 16029 1 898 . 1 1 79 79 PHE CD1 C 13 131.334 0.400 . 1 . . . . 79 PHE CD1 . 16029 1 899 . 1 1 79 79 PHE N N 15 118.909 0.400 . 1 . . . . 79 PHE N . 16029 1 900 . 1 1 80 80 SER H H 1 8.341 0.020 . 1 . . . . 80 SER H . 16029 1 901 . 1 1 80 80 SER HA H 1 4.576 0.020 . 1 . . . . 80 SER HA . 16029 1 902 . 1 1 80 80 SER HB2 H 1 3.892 0.020 . 2 . . . . 80 SER HB2 . 16029 1 903 . 1 1 80 80 SER HB3 H 1 3.796 0.020 . 2 . . . . 80 SER HB3 . 16029 1 904 . 1 1 80 80 SER C C 13 171.629 0.400 . 1 . . . . 80 SER C . 16029 1 905 . 1 1 80 80 SER CA C 13 61.398 0.400 . 1 . . . . 80 SER CA . 16029 1 906 . 1 1 80 80 SER CB C 13 64.796 0.400 . 1 . . . . 80 SER CB . 16029 1 907 . 1 1 80 80 SER N N 15 118.396 0.400 . 1 . . . . 80 SER N . 16029 1 908 . 1 1 81 81 GLU H H 1 8.692 0.020 . 1 . . . . 81 GLU H . 16029 1 909 . 1 1 81 81 GLU HA H 1 5.115 0.020 . 1 . . . . 81 GLU HA . 16029 1 910 . 1 1 81 81 GLU HB2 H 1 2.027 0.020 . 2 . . . . 81 GLU HB2 . 16029 1 911 . 1 1 81 81 GLU HB3 H 1 1.897 0.020 . 2 . . . . 81 GLU HB3 . 16029 1 912 . 1 1 81 81 GLU HG2 H 1 2.237 0.020 . 2 . . . . 81 GLU HG2 . 16029 1 913 . 1 1 81 81 GLU HG3 H 1 1.956 0.020 . 2 . . . . 81 GLU HG3 . 16029 1 914 . 1 1 81 81 GLU C C 13 174.993 0.400 . 1 . . . . 81 GLU C . 16029 1 915 . 1 1 81 81 GLU CA C 13 54.749 0.400 . 1 . . . . 81 GLU CA . 16029 1 916 . 1 1 81 81 GLU CB C 13 31.666 0.400 . 1 . . . . 81 GLU CB . 16029 1 917 . 1 1 81 81 GLU CG C 13 37.194 0.400 . 1 . . . . 81 GLU CG . 16029 1 918 . 1 1 81 81 GLU N N 15 122.155 0.400 . 1 . . . . 81 GLU N . 16029 1 919 . 1 1 82 82 ILE H H 1 9.335 0.020 . 1 . . . . 82 ILE H . 16029 1 920 . 1 1 82 82 ILE HA H 1 4.796 0.020 . 1 . . . . 82 ILE HA . 16029 1 921 . 1 1 82 82 ILE HB H 1 1.795 0.020 . 1 . . . . 82 ILE HB . 16029 1 922 . 1 1 82 82 ILE HD11 H 1 0.606 0.020 . 1 . . . . 82 ILE HD1 . 16029 1 923 . 1 1 82 82 ILE HD12 H 1 0.606 0.020 . 1 . . . . 82 ILE HD1 . 16029 1 924 . 1 1 82 82 ILE HD13 H 1 0.606 0.020 . 1 . . . . 82 ILE HD1 . 16029 1 925 . 1 1 82 82 ILE HG12 H 1 1.266 0.020 . 2 . . . . 82 ILE HG12 . 16029 1 926 . 1 1 82 82 ILE HG13 H 1 1.136 0.020 . 2 . . . . 82 ILE HG13 . 16029 1 927 . 1 1 82 82 ILE HG21 H 1 0.736 0.020 . 1 . . . . 82 ILE HG2 . 16029 1 928 . 1 1 82 82 ILE HG22 H 1 0.736 0.020 . 1 . . . . 82 ILE HG2 . 16029 1 929 . 1 1 82 82 ILE HG23 H 1 0.736 0.020 . 1 . . . . 82 ILE HG2 . 16029 1 930 . 1 1 82 82 ILE C C 13 174.350 0.400 . 1 . . . . 82 ILE C . 16029 1 931 . 1 1 82 82 ILE CA C 13 58.543 0.400 . 1 . . . . 82 ILE CA . 16029 1 932 . 1 1 82 82 ILE CB C 13 39.050 0.400 . 1 . . . . 82 ILE CB . 16029 1 933 . 1 1 82 82 ILE CD1 C 13 12.520 0.400 . 1 . . . . 82 ILE CD1 . 16029 1 934 . 1 1 82 82 ILE CG1 C 13 27.608 0.400 . 1 . . . . 82 ILE CG1 . 16029 1 935 . 1 1 82 82 ILE CG2 C 13 17.980 0.400 . 1 . . . . 82 ILE CG2 . 16029 1 936 . 1 1 82 82 ILE N N 15 127.389 0.400 . 1 . . . . 82 ILE N . 16029 1 937 . 1 1 83 83 VAL H H 1 9.136 0.020 . 1 . . . . 83 VAL H . 16029 1 938 . 1 1 83 83 VAL HA H 1 4.359 0.020 . 1 . . . . 83 VAL HA . 16029 1 939 . 1 1 83 83 VAL HB H 1 1.897 0.020 . 1 . . . . 83 VAL HB . 16029 1 940 . 1 1 83 83 VAL HG11 H 1 0.636 0.020 . 1 . . . . 83 VAL HG1 . 16029 1 941 . 1 1 83 83 VAL HG12 H 1 0.636 0.020 . 1 . . . . 83 VAL HG1 . 16029 1 942 . 1 1 83 83 VAL HG13 H 1 0.636 0.020 . 1 . . . . 83 VAL HG1 . 16029 1 943 . 1 1 83 83 VAL HG21 H 1 0.912 0.020 . 1 . . . . 83 VAL HG2 . 16029 1 944 . 1 1 83 83 VAL HG22 H 1 0.912 0.020 . 1 . . . . 83 VAL HG2 . 16029 1 945 . 1 1 83 83 VAL HG23 H 1 0.912 0.020 . 1 . . . . 83 VAL HG2 . 16029 1 946 . 1 1 83 83 VAL C C 13 174.971 0.400 . 1 . . . . 83 VAL C . 16029 1 947 . 1 1 83 83 VAL CA C 13 61.756 0.400 . 1 . . . . 83 VAL CA . 16029 1 948 . 1 1 83 83 VAL CB C 13 33.537 0.400 . 1 . . . . 83 VAL CB . 16029 1 949 . 1 1 83 83 VAL CG1 C 13 21.937 0.400 . 1 . . . . 83 VAL CG1 . 16029 1 950 . 1 1 83 83 VAL CG2 C 13 21.950 0.400 . 1 . . . . 83 VAL CG2 . 16029 1 951 . 1 1 83 83 VAL N N 15 128.322 0.400 . 1 . . . . 83 VAL N . 16029 1 952 . 1 1 84 84 VAL H H 1 8.019 0.020 . 1 . . . . 84 VAL H . 16029 1 953 . 1 1 84 84 VAL HA H 1 4.524 0.020 . 1 . . . . 84 VAL HA . 16029 1 954 . 1 1 84 84 VAL HB H 1 1.084 0.020 . 1 . . . . 84 VAL HB . 16029 1 955 . 1 1 84 84 VAL HG11 H 1 0.445 0.020 . 1 . . . . 84 VAL HG1 . 16029 1 956 . 1 1 84 84 VAL HG12 H 1 0.445 0.020 . 1 . . . . 84 VAL HG1 . 16029 1 957 . 1 1 84 84 VAL HG13 H 1 0.445 0.020 . 1 . . . . 84 VAL HG1 . 16029 1 958 . 1 1 84 84 VAL HG21 H 1 0.403 0.020 . 1 . . . . 84 VAL HG2 . 16029 1 959 . 1 1 84 84 VAL HG22 H 1 0.403 0.020 . 1 . . . . 84 VAL HG2 . 16029 1 960 . 1 1 84 84 VAL HG23 H 1 0.403 0.020 . 1 . . . . 84 VAL HG2 . 16029 1 961 . 1 1 84 84 VAL C C 13 175.090 0.400 . 1 . . . . 84 VAL C . 16029 1 962 . 1 1 84 84 VAL CA C 13 61.268 0.400 . 1 . . . . 84 VAL CA . 16029 1 963 . 1 1 84 84 VAL CB C 13 32.543 0.400 . 1 . . . . 84 VAL CB . 16029 1 964 . 1 1 84 84 VAL CG1 C 13 21.155 0.400 . 1 . . . . 84 VAL CG1 . 16029 1 965 . 1 1 84 84 VAL CG2 C 13 21.454 0.400 . 1 . . . . 84 VAL CG2 . 16029 1 966 . 1 1 84 84 VAL N N 15 125.746 0.400 . 1 . . . . 84 VAL N . 16029 1 967 . 1 1 85 85 PHE H H 1 9.165 0.020 . 1 . . . . 85 PHE H . 16029 1 968 . 1 1 85 85 PHE HA H 1 4.795 0.020 . 1 . . . . 85 PHE HA . 16029 1 969 . 1 1 85 85 PHE HB2 H 1 3.145 0.020 . 2 . . . . 85 PHE HB2 . 16029 1 970 . 1 1 85 85 PHE HB3 H 1 3.005 0.020 . 2 . . . . 85 PHE HB3 . 16029 1 971 . 1 1 85 85 PHE HD1 H 1 7.206 0.020 . 1 . . . . 85 PHE HD1 . 16029 1 972 . 1 1 85 85 PHE HD2 H 1 7.206 0.020 . 1 . . . . 85 PHE HD2 . 16029 1 973 . 1 1 85 85 PHE HE1 H 1 7.026 0.020 . 1 . . . . 85 PHE HE1 . 16029 1 974 . 1 1 85 85 PHE HE2 H 1 7.026 0.020 . 1 . . . . 85 PHE HE2 . 16029 1 975 . 1 1 85 85 PHE HZ H 1 6.999 0.020 . 1 . . . . 85 PHE HZ . 16029 1 976 . 1 1 85 85 PHE C C 13 174.414 0.400 . 1 . . . . 85 PHE C . 16029 1 977 . 1 1 85 85 PHE CA C 13 55.636 0.400 . 1 . . . . 85 PHE CA . 16029 1 978 . 1 1 85 85 PHE CB C 13 41.618 0.400 . 1 . . . . 85 PHE CB . 16029 1 979 . 1 1 85 85 PHE CD1 C 13 131.332 0.400 . 1 . . . . 85 PHE CD1 . 16029 1 980 . 1 1 85 85 PHE CE1 C 13 130.912 0.400 . 1 . . . . 85 PHE CE1 . 16029 1 981 . 1 1 85 85 PHE CZ C 13 129.152 0.400 . 1 . . . . 85 PHE CZ . 16029 1 982 . 1 1 85 85 PHE N N 15 126.921 0.400 . 1 . . . . 85 PHE N . 16029 1 983 . 1 1 86 86 LEU H H 1 8.314 0.020 . 1 . . . . 86 LEU H . 16029 1 984 . 1 1 86 86 LEU HA H 1 5.103 0.020 . 1 . . . . 86 LEU HA . 16029 1 985 . 1 1 86 86 LEU HB2 H 1 1.281 0.020 . 2 . . . . 86 LEU HB2 . 16029 1 986 . 1 1 86 86 LEU HB3 H 1 1.705 0.020 . 2 . . . . 86 LEU HB3 . 16029 1 987 . 1 1 86 86 LEU HD11 H 1 0.955 0.020 . 1 . . . . 86 LEU HD1 . 16029 1 988 . 1 1 86 86 LEU HD12 H 1 0.955 0.020 . 1 . . . . 86 LEU HD1 . 16029 1 989 . 1 1 86 86 LEU HD13 H 1 0.955 0.020 . 1 . . . . 86 LEU HD1 . 16029 1 990 . 1 1 86 86 LEU HD21 H 1 0.783 0.020 . 1 . . . . 86 LEU HD2 . 16029 1 991 . 1 1 86 86 LEU HD22 H 1 0.783 0.020 . 1 . . . . 86 LEU HD2 . 16029 1 992 . 1 1 86 86 LEU HD23 H 1 0.783 0.020 . 1 . . . . 86 LEU HD2 . 16029 1 993 . 1 1 86 86 LEU HG H 1 1.578 0.020 . 1 . . . . 86 LEU HG . 16029 1 994 . 1 1 86 86 LEU C C 13 177.221 0.400 . 1 . . . . 86 LEU C . 16029 1 995 . 1 1 86 86 LEU CA C 13 52.667 0.400 . 1 . . . . 86 LEU CA . 16029 1 996 . 1 1 86 86 LEU CB C 13 42.493 0.400 . 1 . . . . 86 LEU CB . 16029 1 997 . 1 1 86 86 LEU CD1 C 13 25.098 0.400 . 1 . . . . 86 LEU CD1 . 16029 1 998 . 1 1 86 86 LEU CD2 C 13 24.117 0.400 . 1 . . . . 86 LEU CD2 . 16029 1 999 . 1 1 86 86 LEU CG C 13 24.128 0.400 . 1 . . . . 86 LEU CG . 16029 1 1000 . 1 1 86 86 LEU N N 15 122.166 0.400 . 1 . . . . 86 LEU N . 16029 1 1001 . 1 1 87 87 LYS H H 1 9.006 0.020 . 1 . . . . 87 LYS H . 16029 1 1002 . 1 1 87 87 LYS HA H 1 4.276 0.020 . 1 . . . . 87 LYS HA . 16029 1 1003 . 1 1 87 87 LYS HB2 H 1 1.889 0.020 . 2 . . . . 87 LYS HB2 . 16029 1 1004 . 1 1 87 87 LYS HB3 H 1 1.653 0.020 . 2 . . . . 87 LYS HB3 . 16029 1 1005 . 1 1 87 87 LYS HD2 H 1 1.689 0.020 . 2 . . . . 87 LYS HD2 . 16029 1 1006 . 1 1 87 87 LYS HD3 H 1 1.689 0.020 . 2 . . . . 87 LYS HD3 . 16029 1 1007 . 1 1 87 87 LYS HE2 H 1 3.003 0.020 . 2 . . . . 87 LYS HE2 . 16029 1 1008 . 1 1 87 87 LYS HE3 H 1 3.003 0.020 . 2 . . . . 87 LYS HE3 . 16029 1 1009 . 1 1 87 87 LYS HG2 H 1 1.455 0.020 . 2 . . . . 87 LYS HG2 . 16029 1 1010 . 1 1 87 87 LYS HG3 H 1 1.455 0.020 . 2 . . . . 87 LYS HG3 . 16029 1 1011 . 1 1 87 87 LYS C C 13 176.685 0.400 . 1 . . . . 87 LYS C . 16029 1 1012 . 1 1 87 87 LYS CA C 13 56.069 0.400 . 1 . . . . 87 LYS CA . 16029 1 1013 . 1 1 87 87 LYS CB C 13 33.751 0.400 . 1 . . . . 87 LYS CB . 16029 1 1014 . 1 1 87 87 LYS CD C 13 29.347 0.400 . 1 . . . . 87 LYS CD . 16029 1 1015 . 1 1 87 87 LYS CE C 13 42.029 0.400 . 1 . . . . 87 LYS CE . 16029 1 1016 . 1 1 87 87 LYS CG C 13 24.999 0.400 . 1 . . . . 87 LYS CG . 16029 1 1017 . 1 1 87 87 LYS N N 15 124.552 0.400 . 1 . . . . 87 LYS N . 16029 1 1018 . 1 1 88 88 SER H H 1 8.640 0.020 . 1 . . . . 88 SER H . 16029 1 1019 . 1 1 88 88 SER HA H 1 4.461 0.020 . 1 . . . . 88 SER HA . 16029 1 1020 . 1 1 88 88 SER HB2 H 1 3.883 0.020 . 2 . . . . 88 SER HB2 . 16029 1 1021 . 1 1 88 88 SER HB3 H 1 3.883 0.020 . 2 . . . . 88 SER HB3 . 16029 1 1022 . 1 1 88 88 SER C C 13 174.671 0.400 . 1 . . . . 88 SER C . 16029 1 1023 . 1 1 88 88 SER CA C 13 58.244 0.400 . 1 . . . . 88 SER CA . 16029 1 1024 . 1 1 88 88 SER CB C 13 63.518 0.400 . 1 . . . . 88 SER CB . 16029 1 1025 . 1 1 88 88 SER N N 15 118.741 0.400 . 1 . . . . 88 SER N . 16029 1 1026 . 1 1 89 89 ILE H H 1 8.401 0.020 . 1 . . . . 89 ILE H . 16029 1 1027 . 1 1 89 89 ILE HA H 1 4.173 0.020 . 1 . . . . 89 ILE HA . 16029 1 1028 . 1 1 89 89 ILE HB H 1 1.859 0.020 . 1 . . . . 89 ILE HB . 16029 1 1029 . 1 1 89 89 ILE HD11 H 1 0.852 0.020 . 1 . . . . 89 ILE HD1 . 16029 1 1030 . 1 1 89 89 ILE HD12 H 1 0.852 0.020 . 1 . . . . 89 ILE HD1 . 16029 1 1031 . 1 1 89 89 ILE HD13 H 1 0.852 0.020 . 1 . . . . 89 ILE HD1 . 16029 1 1032 . 1 1 89 89 ILE HG12 H 1 1.433 0.020 . 2 . . . . 89 ILE HG12 . 16029 1 1033 . 1 1 89 89 ILE HG13 H 1 1.138 0.020 . 2 . . . . 89 ILE HG13 . 16029 1 1034 . 1 1 89 89 ILE HG21 H 1 0.883 0.020 . 1 . . . . 89 ILE HG2 . 16029 1 1035 . 1 1 89 89 ILE HG22 H 1 0.883 0.020 . 1 . . . . 89 ILE HG2 . 16029 1 1036 . 1 1 89 89 ILE HG23 H 1 0.883 0.020 . 1 . . . . 89 ILE HG2 . 16029 1 1037 . 1 1 89 89 ILE C C 13 175.828 0.400 . 1 . . . . 89 ILE C . 16029 1 1038 . 1 1 89 89 ILE CA C 13 61.240 0.400 . 1 . . . . 89 ILE CA . 16029 1 1039 . 1 1 89 89 ILE CB C 13 38.930 0.400 . 1 . . . . 89 ILE CB . 16029 1 1040 . 1 1 89 89 ILE CD1 C 13 13.158 0.400 . 1 . . . . 89 ILE CD1 . 16029 1 1041 . 1 1 89 89 ILE CG1 C 13 27.157 0.400 . 1 . . . . 89 ILE CG1 . 16029 1 1042 . 1 1 89 89 ILE CG2 C 13 17.200 0.400 . 1 . . . . 89 ILE CG2 . 16029 1 1043 . 1 1 89 89 ILE N N 15 122.196 0.400 . 1 . . . . 89 ILE N . 16029 1 1044 . 1 1 90 90 ASN H H 1 8.479 0.020 . 1 . . . . 90 ASN H . 16029 1 1045 . 1 1 90 90 ASN HA H 1 4.709 0.020 . 1 . . . . 90 ASN HA . 16029 1 1046 . 1 1 90 90 ASN HB2 H 1 2.829 0.020 . 2 . . . . 90 ASN HB2 . 16029 1 1047 . 1 1 90 90 ASN HB3 H 1 2.725 0.020 . 2 . . . . 90 ASN HB3 . 16029 1 1048 . 1 1 90 90 ASN HD21 H 1 7.600 0.020 . 2 . . . . 90 ASN HD21 . 16029 1 1049 . 1 1 90 90 ASN HD22 H 1 6.938 0.020 . 2 . . . . 90 ASN HD22 . 16029 1 1050 . 1 1 90 90 ASN C C 13 174.971 0.400 . 1 . . . . 90 ASN C . 16029 1 1051 . 1 1 90 90 ASN CA C 13 52.863 0.400 . 1 . . . . 90 ASN CA . 16029 1 1052 . 1 1 90 90 ASN CB C 13 38.726 0.400 . 1 . . . . 90 ASN CB . 16029 1 1053 . 1 1 90 90 ASN N N 15 122.645 0.400 . 1 . . . . 90 ASN N . 16029 1 1054 . 1 1 90 90 ASN ND2 N 15 112.729 0.400 . 1 . . . . 90 ASN ND2 . 16029 1 1055 . 1 1 91 91 ARG H H 1 8.340 0.020 . 1 . . . . 91 ARG H . 16029 1 1056 . 1 1 91 91 ARG HA H 1 4.321 0.020 . 1 . . . . 91 ARG HA . 16029 1 1057 . 1 1 91 91 ARG HB2 H 1 1.876 0.020 . 2 . . . . 91 ARG HB2 . 16029 1 1058 . 1 1 91 91 ARG HB3 H 1 1.753 0.020 . 2 . . . . 91 ARG HB3 . 16029 1 1059 . 1 1 91 91 ARG HD2 H 1 3.206 0.020 . 2 . . . . 91 ARG HD2 . 16029 1 1060 . 1 1 91 91 ARG HD3 H 1 3.206 0.020 . 2 . . . . 91 ARG HD3 . 16029 1 1061 . 1 1 91 91 ARG HG2 H 1 1.628 0.020 . 2 . . . . 91 ARG HG2 . 16029 1 1062 . 1 1 91 91 ARG HG3 H 1 1.628 0.020 . 2 . . . . 91 ARG HG3 . 16029 1 1063 . 1 1 91 91 ARG C C 13 175.850 0.400 . 1 . . . . 91 ARG C . 16029 1 1064 . 1 1 91 91 ARG CA C 13 55.708 0.400 . 1 . . . . 91 ARG CA . 16029 1 1065 . 1 1 91 91 ARG CB C 13 30.704 0.400 . 1 . . . . 91 ARG CB . 16029 1 1066 . 1 1 91 91 ARG CD C 13 43.299 0.400 . 1 . . . . 91 ARG CD . 16029 1 1067 . 1 1 91 91 ARG CG C 13 26.908 0.400 . 1 . . . . 91 ARG CG . 16029 1 1068 . 1 1 91 91 ARG N N 15 122.190 0.400 . 1 . . . . 91 ARG N . 16029 1 1069 . 1 1 92 92 ALA H H 1 8.310 0.020 . 1 . . . . 92 ALA H . 16029 1 1070 . 1 1 92 92 ALA HA H 1 4.292 0.020 . 1 . . . . 92 ALA HA . 16029 1 1071 . 1 1 92 92 ALA HB1 H 1 1.409 0.020 . 1 . . . . 92 ALA HB . 16029 1 1072 . 1 1 92 92 ALA HB2 H 1 1.409 0.020 . 1 . . . . 92 ALA HB . 16029 1 1073 . 1 1 92 92 ALA HB3 H 1 1.409 0.020 . 1 . . . . 92 ALA HB . 16029 1 1074 . 1 1 92 92 ALA C C 13 177.456 0.400 . 1 . . . . 92 ALA C . 16029 1 1075 . 1 1 92 92 ALA CA C 13 52.524 0.400 . 1 . . . . 92 ALA CA . 16029 1 1076 . 1 1 92 92 ALA CB C 13 19.254 0.400 . 1 . . . . 92 ALA CB . 16029 1 1077 . 1 1 92 92 ALA N N 15 125.492 0.400 . 1 . . . . 92 ALA N . 16029 1 1078 . 1 1 93 93 LYS H H 1 8.189 0.020 . 1 . . . . 93 LYS H . 16029 1 1079 . 1 1 93 93 LYS HA H 1 4.318 0.020 . 1 . . . . 93 LYS HA . 16029 1 1080 . 1 1 93 93 LYS HB2 H 1 1.748 0.020 . 2 . . . . 93 LYS HB2 . 16029 1 1081 . 1 1 93 93 LYS HB3 H 1 1.870 0.020 . 2 . . . . 93 LYS HB3 . 16029 1 1082 . 1 1 93 93 LYS HD2 H 1 1.686 0.020 . 2 . . . . 93 LYS HD2 . 16029 1 1083 . 1 1 93 93 LYS HD3 H 1 1.686 0.020 . 2 . . . . 93 LYS HD3 . 16029 1 1084 . 1 1 93 93 LYS HE2 H 1 2.994 0.020 . 2 . . . . 93 LYS HE2 . 16029 1 1085 . 1 1 93 93 LYS HE3 H 1 2.994 0.020 . 2 . . . . 93 LYS HE3 . 16029 1 1086 . 1 1 93 93 LYS HG2 H 1 1.455 0.020 . 2 . . . . 93 LYS HG2 . 16029 1 1087 . 1 1 93 93 LYS HG3 H 1 1.455 0.020 . 2 . . . . 93 LYS HG3 . 16029 1 1088 . 1 1 93 93 LYS C C 13 175.357 0.400 . 1 . . . . 93 LYS C . 16029 1 1089 . 1 1 93 93 LYS CA C 13 56.059 0.400 . 1 . . . . 93 LYS CA . 16029 1 1090 . 1 1 93 93 LYS CB C 13 33.101 0.400 . 1 . . . . 93 LYS CB . 16029 1 1091 . 1 1 93 93 LYS CD C 13 28.925 0.400 . 1 . . . . 93 LYS CD . 16029 1 1092 . 1 1 93 93 LYS CE C 13 42.052 0.400 . 1 . . . . 93 LYS CE . 16029 1 1093 . 1 1 93 93 LYS CG C 13 25.005 0.400 . 1 . . . . 93 LYS CG . 16029 1 1094 . 1 1 93 93 LYS N N 15 120.307 0.400 . 1 . . . . 93 LYS N . 16029 1 1095 . 1 1 94 94 ASP H H 1 7.935 0.020 . 1 . . . . 94 ASP H . 16029 1 1096 . 1 1 94 94 ASP C C 13 180.884 0.400 . 1 . . . . 94 ASP C . 16029 1 1097 . 1 1 94 94 ASP CA C 13 55.662 0.400 . 1 . . . . 94 ASP CA . 16029 1 1098 . 1 1 94 94 ASP CB C 13 42.122 0.400 . 1 . . . . 94 ASP CB . 16029 1 1099 . 1 1 94 94 ASP N N 15 126.928 0.400 . 1 . . . . 94 ASP N . 16029 1 stop_ save_