data_16871 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16871 _Entry.Title ; Solution structure of the second PDZ domain from human zonula occludens-1: A dimeric form with 3D domain swapping ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-15 _Entry.Accession_date 2010-04-15 _Entry.Last_release_date 2011-05-05 _Entry.Original_release_date 2011-05-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Peng Ji . . . 16871 2 Jiawen wu . . . 16871 3 Jiahai Zhang . . . 16871 4 Yinshan Yang . . . 16871 5 Jihui wu . . . 16871 6 Yunyu Shi . . . 16871 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16871 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID dimer . 16871 'domain swapping' . 16871 TJP1 . 16871 ZO-1 . 16871 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16871 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 351 16871 '15N chemical shifts' 88 16871 '1H chemical shifts' 602 16871 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-05-05 2010-04-15 original author . 16871 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JWE 'BMRB Entry Tracking System' 16871 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16871 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21387411 _Citation.Full_citation . _Citation.Title 'Solution structure of the second PDZ domain of Zonula Occludens 1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _Citation.Journal_volume 79 _Citation.Journal_issue 4 _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 1342 _Citation.Page_last 1346 _Citation.Year 2011 _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 Peng Ji . . . 16871 1 2 Guang Yang . . . 16871 1 3 Jiahai Zhang . . . 16871 1 4 Jiawen Wu . . . 16871 1 5 Zhengjun Chen . . . 16871 1 6 Qingguo Gong . . . 16871 1 7 Jihui Wu . . . 16871 1 8 Yunyu Shi . . . 16871 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'domain swapping' 16871 1 NMR 16871 1 PDZ 16871 1 TER 16871 1 'tight junction' 16871 1 ZO1 16871 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16871 _Assembly.ID 1 _Assembly.Name 'ZO-1 PDZ2' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'ZO-1 PDZ2' 1 $PDZ2 A . yes native no no . . . 16871 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PDZ2 _Entity.Sf_category entity _Entity.Sf_framecode PDZ2 _Entity.Entry_ID 16871 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ZO-1 PDZ2' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TKVTLVKSRKNEEYGLRLAS HIFVKEISQDSLAARDGNIQ EGDVVLKINGTVTENMSLTD AKTLIERSKGKLKMVVQRDE LEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 88 _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 2507.023 _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 2JWE . "Solution Structure Of The Second Pdz Domain From Human Zonula Occludens-1: A Dimeric Form With 3d Domain Swapping" . . . . . 100.00 88 100.00 100.00 1.28e-54 . . . . 16871 1 2 no PDB 2RCZ . "Structure Of The Second Pdz Domain Of Zo-1" . . . . . 90.91 81 98.75 100.00 1.07e-47 . . . . 16871 1 3 no PDB 3CYY . "The Crystal Structure Of Zo-1 Pdz2 In Complex With The Cx43 Peptide" . . . . . 90.91 92 98.75 98.75 1.65e-47 . . . . 16871 1 4 no GB EAW51509 . "tight junction protein 1 (zona occludens 1), isoform CRA_d [Homo sapiens]" . . . . . 90.91 383 100.00 100.00 1.65e-45 . . . . 16871 1 5 no REF XP_004320454 . "PREDICTED: tight junction protein ZO-1-like [Tursiops truncatus]" . . . . . 90.91 1755 100.00 100.00 8.41e-42 . . . . 16871 1 6 no REF XP_005193388 . "PREDICTED: tight junction protein ZO-1-like [Bos taurus]" . . . . . 90.91 261 100.00 100.00 1.62e-47 . . . . 16871 1 7 no REF XP_009874121 . "PREDICTED: tight junction protein ZO-1-like, partial [Apaloderma vittatum]" . . . . . 90.91 370 98.75 98.75 1.93e-45 . . . . 16871 1 8 no REF XP_009922511 . "PREDICTED: tight junction protein ZO-1-like, partial [Haliaeetus albicilla]" . . . . . 90.91 324 98.75 98.75 1.18e-45 . . . . 16871 1 9 no REF XP_010151333 . "PREDICTED: tight junction protein ZO-1-like, partial [Eurypyga helias]" . . . . . 90.91 370 98.75 98.75 1.73e-45 . . . . 16871 1 10 no TPG DAA17568 . "TPA: tight junction protein 3-like [Bos taurus]" . . . . . 78.41 159 98.55 100.00 2.58e-39 . . . . 16871 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 . THR . 16871 1 2 . LYS . 16871 1 3 . VAL . 16871 1 4 . THR . 16871 1 5 . LEU . 16871 1 6 . VAL . 16871 1 7 . LYS . 16871 1 8 . SER . 16871 1 9 . ARG . 16871 1 10 . LYS . 16871 1 11 . ASN . 16871 1 12 . GLU . 16871 1 13 . GLU . 16871 1 14 . TYR . 16871 1 15 . GLY . 16871 1 16 . LEU . 16871 1 17 . ARG . 16871 1 18 . LEU . 16871 1 19 . ALA . 16871 1 20 . SER . 16871 1 21 . HIS . 16871 1 22 . ILE . 16871 1 23 . PHE . 16871 1 24 . VAL . 16871 1 25 . LYS . 16871 1 26 . GLU . 16871 1 27 . ILE . 16871 1 28 . SER . 16871 1 29 . GLN . 16871 1 30 . ASP . 16871 1 31 . SER . 16871 1 32 . LEU . 16871 1 33 . ALA . 16871 1 34 . ALA . 16871 1 35 . ARG . 16871 1 36 . ASP . 16871 1 37 . GLY . 16871 1 38 . ASN . 16871 1 39 . ILE . 16871 1 40 . GLN . 16871 1 41 . GLU . 16871 1 42 . GLY . 16871 1 43 . ASP . 16871 1 44 . VAL . 16871 1 45 . VAL . 16871 1 46 . LEU . 16871 1 47 . LYS . 16871 1 48 . ILE . 16871 1 49 . ASN . 16871 1 50 . GLY . 16871 1 51 . THR . 16871 1 52 . VAL . 16871 1 53 . THR . 16871 1 54 . GLU . 16871 1 55 . ASN . 16871 1 56 . MET . 16871 1 57 . SER . 16871 1 58 . LEU . 16871 1 59 . THR . 16871 1 60 . ASP . 16871 1 61 . ALA . 16871 1 62 . LYS . 16871 1 63 . THR . 16871 1 64 . LEU . 16871 1 65 . ILE . 16871 1 66 . GLU . 16871 1 67 . ARG . 16871 1 68 . SER . 16871 1 69 . LYS . 16871 1 70 . GLY . 16871 1 71 . LYS . 16871 1 72 . LEU . 16871 1 73 . LYS . 16871 1 74 . MET . 16871 1 75 . VAL . 16871 1 76 . VAL . 16871 1 77 . GLN . 16871 1 78 . ARG . 16871 1 79 . ASP . 16871 1 80 . GLU . 16871 1 81 . LEU . 16871 1 82 . GLU . 16871 1 83 . HIS . 16871 1 84 . HIS . 16871 1 85 . HIS . 16871 1 86 . HIS . 16871 1 87 . HIS . 16871 1 88 . HIS . 16871 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 . THR 1 1 16871 1 . LYS 2 2 16871 1 . VAL 3 3 16871 1 . THR 4 4 16871 1 . LEU 5 5 16871 1 . VAL 6 6 16871 1 . LYS 7 7 16871 1 . SER 8 8 16871 1 . ARG 9 9 16871 1 . LYS 10 10 16871 1 . ASN 11 11 16871 1 . GLU 12 12 16871 1 . GLU 13 13 16871 1 . TYR 14 14 16871 1 . GLY 15 15 16871 1 . LEU 16 16 16871 1 . ARG 17 17 16871 1 . LEU 18 18 16871 1 . ALA 19 19 16871 1 . SER 20 20 16871 1 . HIS 21 21 16871 1 . ILE 22 22 16871 1 . PHE 23 23 16871 1 . VAL 24 24 16871 1 . LYS 25 25 16871 1 . GLU 26 26 16871 1 . ILE 27 27 16871 1 . SER 28 28 16871 1 . GLN 29 29 16871 1 . ASP 30 30 16871 1 . SER 31 31 16871 1 . LEU 32 32 16871 1 . ALA 33 33 16871 1 . ALA 34 34 16871 1 . ARG 35 35 16871 1 . ASP 36 36 16871 1 . GLY 37 37 16871 1 . ASN 38 38 16871 1 . ILE 39 39 16871 1 . GLN 40 40 16871 1 . GLU 41 41 16871 1 . GLY 42 42 16871 1 . ASP 43 43 16871 1 . VAL 44 44 16871 1 . VAL 45 45 16871 1 . LEU 46 46 16871 1 . LYS 47 47 16871 1 . ILE 48 48 16871 1 . ASN 49 49 16871 1 . GLY 50 50 16871 1 . THR 51 51 16871 1 . VAL 52 52 16871 1 . THR 53 53 16871 1 . GLU 54 54 16871 1 . ASN 55 55 16871 1 . MET 56 56 16871 1 . SER 57 57 16871 1 . LEU 58 58 16871 1 . THR 59 59 16871 1 . ASP 60 60 16871 1 . ALA 61 61 16871 1 . LYS 62 62 16871 1 . THR 63 63 16871 1 . LEU 64 64 16871 1 . ILE 65 65 16871 1 . GLU 66 66 16871 1 . ARG 67 67 16871 1 . SER 68 68 16871 1 . LYS 69 69 16871 1 . GLY 70 70 16871 1 . LYS 71 71 16871 1 . LEU 72 72 16871 1 . LYS 73 73 16871 1 . MET 74 74 16871 1 . VAL 75 75 16871 1 . VAL 76 76 16871 1 . GLN 77 77 16871 1 . ARG 78 78 16871 1 . ASP 79 79 16871 1 . GLU 80 80 16871 1 . LEU 81 81 16871 1 . GLU 82 82 16871 1 . HIS 83 83 16871 1 . HIS 84 84 16871 1 . HIS 85 85 16871 1 . HIS 86 86 16871 1 . HIS 87 87 16871 1 . HIS 88 88 16871 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 16871 _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 $PDZ2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16871 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 16871 _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 $PDZ2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET22b . . . . . . 16871 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16871 _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 PDZ2 '[U-99% 13C; U-99% 15N]' . . 1 $PDZ2 . . . 0.8 1 mM . . . . 16871 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16871 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16871 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16871 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 PDZ2 '[U-99% 13C; U-99% 15N]' . . 1 $PDZ2 . . . 0.8 1 mM . . . . 16871 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16871 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16871 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 PDZ2 '[U-99% 13C; U-99% 15N]' . . 1 $PDZ2 . . . 0.4 0.5 mM . . . . 16871 3 2 PDZ2 'natural abundance' . . 1 $PDZ2 . . . 0.5 0.8 mM . . . . 16871 3 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16871 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 16871 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 PDZ2 'natural abundance' . . 1 $PDZ2 . . . 0.5 0.8 mM . . . . 16871 4 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16871 4 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 16871 _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 pH 6.5 . pH 16871 1 pressure 1 . atm 16871 1 temperature 310 . K 16871 1 stop_ save_ ############################ # Computer software used # ############################ save_CNSSOLVE _Software.Sf_category software _Software.Sf_framecode CNSSOLVE _Software.Entry_ID 16871 _Software.ID 1 _Software.Name CNSSOLVE _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' . . 16871 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16871 1 'structure solution' 16871 1 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 16871 _Software.ID 2 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16871 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16871 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16871 _Software.ID 3 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16871 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16871 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16871 _Software.ID 4 _Software.Name SPARKY _Software.Version 3.112 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16871 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16871 4 'data analysis' 16871 4 'peak picking' 16871 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 16871 _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' . . 16871 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'predicts angles from chemical shift homology' 16871 5 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 16871 _Software.ID 6 _Software.Name Molmol _Software.Version 2K.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 16871 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16871 6 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 16871 _Software.ID 7 _Software.Name ProcheckNMR _Software.Version 3.5.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 16871 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16871 7 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 16871 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16871 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 600 . . . 16871 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 16871 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16871 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16871 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16871 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16871 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16871 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16871 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16871 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16871 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16871 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16871 1 11 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16871 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16871 1 13 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16871 1 14 '2D 1H-1H 13C-Filtered NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16871 1 15 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16871 1 16 '2D 1H-1H TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16871 1 17 '2D 1H-1H NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16871 1 18 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16871 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 16871 _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 . . . . . . . . . 16871 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16871 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16871 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 16871 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16871 1 2 '3D CBCA(CO)NH' . . . 16871 1 3 '3D HNCACB' . . . 16871 1 4 '3D HNCO' . . . 16871 1 5 '3D HN(CA)CO' . . . 16871 1 6 '3D HBHA(CO)NH' . . . 16871 1 7 '3D H(CCO)NH' . . . 16871 1 8 '3D C(CO)NH' . . . 16871 1 10 '3D HCCH-TOCSY' . . . 16871 1 11 '3D HCCH-COSY' . . . 16871 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $SPARKY . . 16871 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 THR HA H 1 4.481 0.002 . 1 . . . . 1 THR HA . 16871 1 2 . 1 1 1 1 THR HB H 1 3.795 0.008 . 1 . . . . 1 THR HB . 16871 1 3 . 1 1 1 1 THR HG21 H 1 1.061 0.002 . 1 . . . . 1 THR MG . 16871 1 4 . 1 1 1 1 THR HG22 H 1 1.061 0.002 . 1 . . . . 1 THR MG . 16871 1 5 . 1 1 1 1 THR HG23 H 1 1.061 0.002 . 1 . . . . 1 THR MG . 16871 1 6 . 1 1 1 1 THR C C 13 172.388 0.000 . 1 . . . . 1 THR C . 16871 1 7 . 1 1 1 1 THR CA C 13 62.668 0.066 . 1 . . . . 1 THR CA . 16871 1 8 . 1 1 1 1 THR CB C 13 71.101 0.064 . 1 . . . . 1 THR CB . 16871 1 9 . 1 1 1 1 THR CG2 C 13 21.100 0.010 . 1 . . . . 1 THR CG2 . 16871 1 10 . 1 1 2 2 LYS H H 1 8.652 0.006 . 1 . . . . 2 LYS H . 16871 1 11 . 1 1 2 2 LYS HA H 1 4.936 0.014 . 1 . . . . 2 LYS HA . 16871 1 12 . 1 1 2 2 LYS HB2 H 1 1.796 0.000 . 2 . . . . 2 LYS HB2 . 16871 1 13 . 1 1 2 2 LYS HB3 H 1 1.727 0.006 . 2 . . . . 2 LYS HB3 . 16871 1 14 . 1 1 2 2 LYS HD2 H 1 1.643 0.000 . 2 . . . . 2 LYS QD . 16871 1 15 . 1 1 2 2 LYS HD3 H 1 1.643 0.000 . 2 . . . . 2 LYS QD . 16871 1 16 . 1 1 2 2 LYS HE2 H 1 2.890 0.000 . 2 . . . . 2 LYS QE . 16871 1 17 . 1 1 2 2 LYS HE3 H 1 2.890 0.000 . 2 . . . . 2 LYS QE . 16871 1 18 . 1 1 2 2 LYS HG2 H 1 1.453 0.007 . 2 . . . . 2 LYS HG2 . 16871 1 19 . 1 1 2 2 LYS HG3 H 1 1.294 0.001 . 2 . . . . 2 LYS HG3 . 16871 1 20 . 1 1 2 2 LYS C C 13 175.326 0.104 . 1 . . . . 2 LYS C . 16871 1 21 . 1 1 2 2 LYS CA C 13 56.121 0.049 . 1 . . . . 2 LYS CA . 16871 1 22 . 1 1 2 2 LYS CB C 13 33.230 0.047 . 1 . . . . 2 LYS CB . 16871 1 23 . 1 1 2 2 LYS CD C 13 29.420 0.000 . 1 . . . . 2 LYS CD . 16871 1 24 . 1 1 2 2 LYS CE C 13 41.963 0.000 . 1 . . . . 2 LYS CE . 16871 1 25 . 1 1 2 2 LYS CG C 13 25.151 0.000 . 1 . . . . 2 LYS CG . 16871 1 26 . 1 1 2 2 LYS N N 15 127.242 0.054 . 1 . . . . 2 LYS N . 16871 1 27 . 1 1 3 3 VAL H H 1 8.774 0.005 . 1 . . . . 3 VAL H . 16871 1 28 . 1 1 3 3 VAL HA H 1 4.351 0.005 . 1 . . . . 3 VAL HA . 16871 1 29 . 1 1 3 3 VAL HB H 1 1.697 0.003 . 1 . . . . 3 VAL HB . 16871 1 30 . 1 1 3 3 VAL HG11 H 1 0.798 0.002 . 2 . . . . 3 VAL MG1 . 16871 1 31 . 1 1 3 3 VAL HG12 H 1 0.798 0.002 . 2 . . . . 3 VAL MG1 . 16871 1 32 . 1 1 3 3 VAL HG13 H 1 0.798 0.002 . 2 . . . . 3 VAL MG1 . 16871 1 33 . 1 1 3 3 VAL HG21 H 1 0.728 0.001 . 2 . . . . 3 VAL MG2 . 16871 1 34 . 1 1 3 3 VAL HG22 H 1 0.728 0.001 . 2 . . . . 3 VAL MG2 . 16871 1 35 . 1 1 3 3 VAL HG23 H 1 0.728 0.001 . 2 . . . . 3 VAL MG2 . 16871 1 36 . 1 1 3 3 VAL C C 13 174.452 0.000 . 1 . . . . 3 VAL C . 16871 1 37 . 1 1 3 3 VAL CA C 13 61.354 0.131 . 1 . . . . 3 VAL CA . 16871 1 38 . 1 1 3 3 VAL CB C 13 35.695 0.065 . 1 . . . . 3 VAL CB . 16871 1 39 . 1 1 3 3 VAL CG1 C 13 21.022 0.157 . 2 . . . . 3 VAL CG1 . 16871 1 40 . 1 1 3 3 VAL CG2 C 13 21.190 0.055 . 2 . . . . 3 VAL CG2 . 16871 1 41 . 1 1 3 3 VAL N N 15 124.462 0.077 . 1 . . . . 3 VAL N . 16871 1 42 . 1 1 4 4 THR H H 1 8.764 0.005 . 1 . . . . 4 THR H . 16871 1 43 . 1 1 4 4 THR HA H 1 5.159 0.006 . 1 . . . . 4 THR HA . 16871 1 44 . 1 1 4 4 THR HB H 1 3.933 0.004 . 1 . . . . 4 THR HB . 16871 1 45 . 1 1 4 4 THR HG21 H 1 0.978 0.009 . 1 . . . . 4 THR MG . 16871 1 46 . 1 1 4 4 THR HG22 H 1 0.978 0.009 . 1 . . . . 4 THR MG . 16871 1 47 . 1 1 4 4 THR HG23 H 1 0.978 0.009 . 1 . . . . 4 THR MG . 16871 1 48 . 1 1 4 4 THR C C 13 173.502 0.004 . 1 . . . . 4 THR C . 16871 1 49 . 1 1 4 4 THR CA C 13 61.666 0.130 . 1 . . . . 4 THR CA . 16871 1 50 . 1 1 4 4 THR CB C 13 70.371 0.176 . 1 . . . . 4 THR CB . 16871 1 51 . 1 1 4 4 THR CG2 C 13 21.875 0.000 . 1 . . . . 4 THR CG2 . 16871 1 52 . 1 1 4 4 THR N N 15 123.809 0.076 . 1 . . . . 4 THR N . 16871 1 53 . 1 1 5 5 LEU H H 1 9.127 0.008 . 1 . . . . 5 LEU H . 16871 1 54 . 1 1 5 5 LEU HA H 1 4.832 0.006 . 1 . . . . 5 LEU HA . 16871 1 55 . 1 1 5 5 LEU HB2 H 1 1.896 0.003 . 2 . . . . 5 LEU HB2 . 16871 1 56 . 1 1 5 5 LEU HB3 H 1 1.312 0.003 . 2 . . . . 5 LEU HB3 . 16871 1 57 . 1 1 5 5 LEU HD11 H 1 0.782 0.002 . 2 . . . . 5 LEU MD1 . 16871 1 58 . 1 1 5 5 LEU HD12 H 1 0.782 0.002 . 2 . . . . 5 LEU MD1 . 16871 1 59 . 1 1 5 5 LEU HD13 H 1 0.782 0.002 . 2 . . . . 5 LEU MD1 . 16871 1 60 . 1 1 5 5 LEU HD21 H 1 0.765 0.002 . 2 . . . . 5 LEU MD2 . 16871 1 61 . 1 1 5 5 LEU HD22 H 1 0.765 0.002 . 2 . . . . 5 LEU MD2 . 16871 1 62 . 1 1 5 5 LEU HD23 H 1 0.765 0.002 . 2 . . . . 5 LEU MD2 . 16871 1 63 . 1 1 5 5 LEU HG H 1 1.488 0.001 . 1 . . . . 5 LEU HG . 16871 1 64 . 1 1 5 5 LEU C C 13 175.044 0.049 . 1 . . . . 5 LEU C . 16871 1 65 . 1 1 5 5 LEU CA C 13 53.063 0.072 . 1 . . . . 5 LEU CA . 16871 1 66 . 1 1 5 5 LEU CB C 13 43.850 0.074 . 1 . . . . 5 LEU CB . 16871 1 67 . 1 1 5 5 LEU CD1 C 13 25.978 0.182 . 2 . . . . 5 LEU CD1 . 16871 1 68 . 1 1 5 5 LEU CD2 C 13 23.320 0.238 . 2 . . . . 5 LEU CD2 . 16871 1 69 . 1 1 5 5 LEU CG C 13 26.403 0.000 . 1 . . . . 5 LEU CG . 16871 1 70 . 1 1 5 5 LEU N N 15 126.549 0.056 . 1 . . . . 5 LEU N . 16871 1 71 . 1 1 6 6 VAL H H 1 8.644 0.005 . 1 . . . . 6 VAL H . 16871 1 72 . 1 1 6 6 VAL HA H 1 4.664 0.007 . 1 . . . . 6 VAL HA . 16871 1 73 . 1 1 6 6 VAL HB H 1 1.925 0.003 . 1 . . . . 6 VAL HB . 16871 1 74 . 1 1 6 6 VAL HG11 H 1 0.863 0.003 . 2 . . . . 6 VAL MG1 . 16871 1 75 . 1 1 6 6 VAL HG12 H 1 0.863 0.003 . 2 . . . . 6 VAL MG1 . 16871 1 76 . 1 1 6 6 VAL HG13 H 1 0.863 0.003 . 2 . . . . 6 VAL MG1 . 16871 1 77 . 1 1 6 6 VAL HG21 H 1 0.846 0.002 . 2 . . . . 6 VAL MG2 . 16871 1 78 . 1 1 6 6 VAL HG22 H 1 0.846 0.002 . 2 . . . . 6 VAL MG2 . 16871 1 79 . 1 1 6 6 VAL HG23 H 1 0.846 0.002 . 2 . . . . 6 VAL MG2 . 16871 1 80 . 1 1 6 6 VAL C C 13 175.866 0.923 . 1 . . . . 6 VAL C . 16871 1 81 . 1 1 6 6 VAL CA C 13 61.327 0.152 . 1 . . . . 6 VAL CA . 16871 1 82 . 1 1 6 6 VAL CB C 13 34.320 0.053 . 1 . . . . 6 VAL CB . 16871 1 83 . 1 1 6 6 VAL CG1 C 13 21.058 0.038 . 2 . . . . 6 VAL CG1 . 16871 1 84 . 1 1 6 6 VAL CG2 C 13 21.225 0.037 . 2 . . . . 6 VAL CG2 . 16871 1 85 . 1 1 6 6 VAL N N 15 122.859 0.054 . 1 . . . . 6 VAL N . 16871 1 86 . 1 1 7 7 LYS H H 1 8.402 0.006 . 1 . . . . 7 LYS H . 16871 1 87 . 1 1 7 7 LYS HA H 1 4.280 0.001 . 1 . . . . 7 LYS HA . 16871 1 88 . 1 1 7 7 LYS HB2 H 1 1.814 0.005 . 2 . . . . 7 LYS HB2 . 16871 1 89 . 1 1 7 7 LYS HB3 H 1 1.521 0.007 . 2 . . . . 7 LYS HB3 . 16871 1 90 . 1 1 7 7 LYS HD2 H 1 1.389 0.001 . 2 . . . . 7 LYS HD2 . 16871 1 91 . 1 1 7 7 LYS HD3 H 1 1.341 0.000 . 2 . . . . 7 LYS HD3 . 16871 1 92 . 1 1 7 7 LYS HE2 H 1 2.272 0.004 . 2 . . . . 7 LYS HE2 . 16871 1 93 . 1 1 7 7 LYS HE3 H 1 2.144 0.003 . 2 . . . . 7 LYS HE3 . 16871 1 94 . 1 1 7 7 LYS HG2 H 1 1.165 0.003 . 2 . . . . 7 LYS HG2 . 16871 1 95 . 1 1 7 7 LYS HG3 H 1 0.912 0.007 . 2 . . . . 7 LYS HG3 . 16871 1 96 . 1 1 7 7 LYS C C 13 176.835 0.051 . 1 . . . . 7 LYS C . 16871 1 97 . 1 1 7 7 LYS CA C 13 56.984 0.154 . 1 . . . . 7 LYS CA . 16871 1 98 . 1 1 7 7 LYS CB C 13 33.853 0.169 . 1 . . . . 7 LYS CB . 16871 1 99 . 1 1 7 7 LYS CD C 13 30.069 0.000 . 1 . . . . 7 LYS CD . 16871 1 100 . 1 1 7 7 LYS CE C 13 41.682 0.000 . 1 . . . . 7 LYS CE . 16871 1 101 . 1 1 7 7 LYS CG C 13 25.776 0.000 . 1 . . . . 7 LYS CG . 16871 1 102 . 1 1 7 7 LYS N N 15 126.113 0.060 . 1 . . . . 7 LYS N . 16871 1 103 . 1 1 8 8 SER H H 1 9.575 0.012 . 1 . . . . 8 SER H . 16871 1 104 . 1 1 8 8 SER HA H 1 4.559 0.000 . 1 . . . . 8 SER HA . 16871 1 105 . 1 1 8 8 SER HB2 H 1 4.026 0.000 . 2 . . . . 8 SER HB2 . 16871 1 106 . 1 1 8 8 SER HB3 H 1 3.872 0.000 . 2 . . . . 8 SER HB3 . 16871 1 107 . 1 1 8 8 SER C C 13 174.454 0.000 . 1 . . . . 8 SER C . 16871 1 108 . 1 1 8 8 SER CA C 13 59.172 0.141 . 1 . . . . 8 SER CA . 16871 1 109 . 1 1 8 8 SER CB C 13 65.055 0.101 . 1 . . . . 8 SER CB . 16871 1 110 . 1 1 8 8 SER N N 15 121.132 0.052 . 1 . . . . 8 SER N . 16871 1 111 . 1 1 9 9 ARG H H 1 8.024 0.003 . 1 . . . . 9 ARG H . 16871 1 112 . 1 1 9 9 ARG HA H 1 4.502 0.000 . 1 . . . . 9 ARG HA . 16871 1 113 . 1 1 9 9 ARG HB2 H 1 1.911 0.003 . 2 . . . . 9 ARG HB2 . 16871 1 114 . 1 1 9 9 ARG HB3 H 1 1.628 0.007 . 2 . . . . 9 ARG HB3 . 16871 1 115 . 1 1 9 9 ARG HD2 H 1 3.144 0.001 . 2 . . . . 9 ARG QD . 16871 1 116 . 1 1 9 9 ARG HD3 H 1 3.144 0.001 . 2 . . . . 9 ARG QD . 16871 1 117 . 1 1 9 9 ARG HG2 H 1 1.549 0.011 . 2 . . . . 9 ARG QG . 16871 1 118 . 1 1 9 9 ARG HG3 H 1 1.549 0.011 . 2 . . . . 9 ARG QG . 16871 1 119 . 1 1 9 9 ARG C C 13 176.755 0.000 . 1 . . . . 9 ARG C . 16871 1 120 . 1 1 9 9 ARG CA C 13 55.179 0.031 . 1 . . . . 9 ARG CA . 16871 1 121 . 1 1 9 9 ARG CB C 13 32.129 0.042 . 1 . . . . 9 ARG CB . 16871 1 122 . 1 1 9 9 ARG CD C 13 43.197 0.125 . 1 . . . . 9 ARG CD . 16871 1 123 . 1 1 9 9 ARG CG C 13 26.908 0.007 . 1 . . . . 9 ARG CG . 16871 1 124 . 1 1 9 9 ARG N N 15 120.204 0.056 . 1 . . . . 9 ARG N . 16871 1 125 . 1 1 10 10 LYS H H 1 8.945 0.000 . 1 . . . . 10 LYS H . 16871 1 126 . 1 1 10 10 LYS HA H 1 3.957 0.002 . 1 . . . . 10 LYS HA . 16871 1 127 . 1 1 10 10 LYS HB2 H 1 1.726 0.009 . 2 . . . . 10 LYS QB . 16871 1 128 . 1 1 10 10 LYS HB3 H 1 1.726 0.009 . 2 . . . . 10 LYS QB . 16871 1 129 . 1 1 10 10 LYS HD2 H 1 1.657 0.000 . 2 . . . . 10 LYS QD . 16871 1 130 . 1 1 10 10 LYS HD3 H 1 1.657 0.000 . 2 . . . . 10 LYS QD . 16871 1 131 . 1 1 10 10 LYS HE2 H 1 2.958 0.000 . 2 . . . . 10 LYS QE . 16871 1 132 . 1 1 10 10 LYS HE3 H 1 2.958 0.000 . 2 . . . . 10 LYS QE . 16871 1 133 . 1 1 10 10 LYS HG2 H 1 1.413 0.006 . 2 . . . . 10 LYS QG . 16871 1 134 . 1 1 10 10 LYS HG3 H 1 1.413 0.006 . 2 . . . . 10 LYS QG . 16871 1 135 . 1 1 10 10 LYS CA C 13 58.748 0.139 . 1 . . . . 10 LYS CA . 16871 1 136 . 1 1 10 10 LYS CB C 13 32.359 0.052 . 1 . . . . 10 LYS CB . 16871 1 137 . 1 1 10 10 LYS CD C 13 29.130 0.000 . 1 . . . . 10 LYS CD . 16871 1 138 . 1 1 10 10 LYS CE C 13 42.100 0.000 . 1 . . . . 10 LYS CE . 16871 1 139 . 1 1 10 10 LYS CG C 13 24.908 0.000 . 1 . . . . 10 LYS CG . 16871 1 140 . 1 1 10 10 LYS N N 15 126.867 0.000 . 1 . . . . 10 LYS N . 16871 1 141 . 1 1 11 11 ASN H H 1 8.211 0.007 . 1 . . . . 11 ASN H . 16871 1 142 . 1 1 11 11 ASN HA H 1 4.504 0.004 . 1 . . . . 11 ASN HA . 16871 1 143 . 1 1 11 11 ASN HB2 H 1 2.823 0.001 . 2 . . . . 11 ASN QB . 16871 1 144 . 1 1 11 11 ASN HB3 H 1 2.823 0.001 . 2 . . . . 11 ASN QB . 16871 1 145 . 1 1 11 11 ASN HD21 H 1 7.504 0.011 . 2 . . . . 11 ASN HD21 . 16871 1 146 . 1 1 11 11 ASN HD22 H 1 6.784 0.009 . 2 . . . . 11 ASN HD22 . 16871 1 147 . 1 1 11 11 ASN C C 13 174.874 0.000 . 1 . . . . 11 ASN C . 16871 1 148 . 1 1 11 11 ASN CA C 13 53.324 0.088 . 1 . . . . 11 ASN CA . 16871 1 149 . 1 1 11 11 ASN CB C 13 37.235 0.047 . 1 . . . . 11 ASN CB . 16871 1 150 . 1 1 11 11 ASN N N 15 114.490 0.088 . 1 . . . . 11 ASN N . 16871 1 151 . 1 1 11 11 ASN ND2 N 15 111.676 0.241 . 1 . . . . 11 ASN ND2 . 16871 1 152 . 1 1 12 12 GLU H H 1 7.733 0.005 . 1 . . . . 12 GLU H . 16871 1 153 . 1 1 12 12 GLU HA H 1 4.148 0.005 . 1 . . . . 12 GLU HA . 16871 1 154 . 1 1 12 12 GLU HB2 H 1 1.936 0.008 . 2 . . . . 12 GLU HB2 . 16871 1 155 . 1 1 12 12 GLU HB3 H 1 1.792 0.013 . 2 . . . . 12 GLU HB3 . 16871 1 156 . 1 1 12 12 GLU HG2 H 1 2.195 0.001 . 2 . . . . 12 GLU QG . 16871 1 157 . 1 1 12 12 GLU HG3 H 1 2.195 0.001 . 2 . . . . 12 GLU QG . 16871 1 158 . 1 1 12 12 GLU C C 13 175.407 0.002 . 1 . . . . 12 GLU C . 16871 1 159 . 1 1 12 12 GLU CA C 13 56.661 0.061 . 1 . . . . 12 GLU CA . 16871 1 160 . 1 1 12 12 GLU CB C 13 31.185 0.101 . 1 . . . . 12 GLU CB . 16871 1 161 . 1 1 12 12 GLU CG C 13 36.861 0.000 . 1 . . . . 12 GLU CG . 16871 1 162 . 1 1 12 12 GLU N N 15 120.365 0.048 . 1 . . . . 12 GLU N . 16871 1 163 . 1 1 13 13 GLU H H 1 8.419 0.005 . 1 . . . . 13 GLU H . 16871 1 164 . 1 1 13 13 GLU HA H 1 4.371 0.007 . 1 . . . . 13 GLU HA . 16871 1 165 . 1 1 13 13 GLU HB2 H 1 2.057 0.001 . 2 . . . . 13 GLU HB2 . 16871 1 166 . 1 1 13 13 GLU HB3 H 1 1.784 0.003 . 2 . . . . 13 GLU HB3 . 16871 1 167 . 1 1 13 13 GLU HG2 H 1 2.220 0.011 . 2 . . . . 13 GLU QG . 16871 1 168 . 1 1 13 13 GLU HG3 H 1 2.220 0.011 . 2 . . . . 13 GLU QG . 16871 1 169 . 1 1 13 13 GLU C C 13 177.297 0.000 . 1 . . . . 13 GLU C . 16871 1 170 . 1 1 13 13 GLU CA C 13 54.348 0.103 . 1 . . . . 13 GLU CA . 16871 1 171 . 1 1 13 13 GLU CB C 13 31.355 0.029 . 1 . . . . 13 GLU CB . 16871 1 172 . 1 1 13 13 GLU CG C 13 35.579 0.000 . 1 . . . . 13 GLU CG . 16871 1 173 . 1 1 13 13 GLU N N 15 120.104 0.059 . 1 . . . . 13 GLU N . 16871 1 174 . 1 1 14 14 TYR H H 1 8.716 0.006 . 1 . . . . 14 TYR H . 16871 1 175 . 1 1 14 14 TYR HA H 1 4.352 0.007 . 1 . . . . 14 TYR HA . 16871 1 176 . 1 1 14 14 TYR HB2 H 1 3.008 0.003 . 2 . . . . 14 TYR HB2 . 16871 1 177 . 1 1 14 14 TYR HB3 H 1 2.817 0.005 . 2 . . . . 14 TYR HB3 . 16871 1 178 . 1 1 14 14 TYR HD1 H 1 6.972 0.003 . 3 . . . . 14 TYR QD . 16871 1 179 . 1 1 14 14 TYR HD2 H 1 6.972 0.003 . 3 . . . . 14 TYR QD . 16871 1 180 . 1 1 14 14 TYR HE1 H 1 6.611 0.005 . 3 . . . . 14 TYR QE . 16871 1 181 . 1 1 14 14 TYR HE2 H 1 6.611 0.005 . 3 . . . . 14 TYR QE . 16871 1 182 . 1 1 14 14 TYR C C 13 177.275 0.000 . 1 . . . . 14 TYR C . 16871 1 183 . 1 1 14 14 TYR CA C 13 62.150 0.102 . 1 . . . . 14 TYR CA . 16871 1 184 . 1 1 14 14 TYR CB C 13 37.716 0.251 . 1 . . . . 14 TYR CB . 16871 1 185 . 1 1 14 14 TYR N N 15 120.622 0.061 . 1 . . . . 14 TYR N . 16871 1 186 . 1 1 15 15 GLY H H 1 8.439 0.007 . 1 . . . . 15 GLY H . 16871 1 187 . 1 1 15 15 GLY HA2 H 1 4.569 0.007 . 2 . . . . 15 GLY HA2 . 16871 1 188 . 1 1 15 15 GLY HA3 H 1 3.733 0.003 . 2 . . . . 15 GLY HA3 . 16871 1 189 . 1 1 15 15 GLY C C 13 173.591 0.034 . 1 . . . . 15 GLY C . 16871 1 190 . 1 1 15 15 GLY CA C 13 45.535 0.065 . 1 . . . . 15 GLY CA . 16871 1 191 . 1 1 15 15 GLY N N 15 101.859 0.092 . 1 . . . . 15 GLY N . 16871 1 192 . 1 1 16 16 LEU H H 1 7.130 0.006 . 1 . . . . 16 LEU H . 16871 1 193 . 1 1 16 16 LEU HA H 1 4.575 0.003 . 1 . . . . 16 LEU HA . 16871 1 194 . 1 1 16 16 LEU HB2 H 1 1.647 0.002 . 2 . . . . 16 LEU HB2 . 16871 1 195 . 1 1 16 16 LEU HB3 H 1 0.976 0.001 . 2 . . . . 16 LEU HB3 . 16871 1 196 . 1 1 16 16 LEU HD11 H 1 0.604 0.003 . 2 . . . . 16 LEU MD1 . 16871 1 197 . 1 1 16 16 LEU HD12 H 1 0.604 0.003 . 2 . . . . 16 LEU MD1 . 16871 1 198 . 1 1 16 16 LEU HD13 H 1 0.604 0.003 . 2 . . . . 16 LEU MD1 . 16871 1 199 . 1 1 16 16 LEU HD21 H 1 0.622 0.002 . 2 . . . . 16 LEU MD2 . 16871 1 200 . 1 1 16 16 LEU HD22 H 1 0.622 0.002 . 2 . . . . 16 LEU MD2 . 16871 1 201 . 1 1 16 16 LEU HD23 H 1 0.622 0.002 . 2 . . . . 16 LEU MD2 . 16871 1 202 . 1 1 16 16 LEU HG H 1 1.332 0.003 . 1 . . . . 16 LEU HG . 16871 1 203 . 1 1 16 16 LEU C C 13 175.560 0.000 . 1 . . . . 16 LEU C . 16871 1 204 . 1 1 16 16 LEU CA C 13 53.833 0.107 . 1 . . . . 16 LEU CA . 16871 1 205 . 1 1 16 16 LEU CB C 13 44.004 0.154 . 1 . . . . 16 LEU CB . 16871 1 206 . 1 1 16 16 LEU CD1 C 13 26.237 0.040 . 2 . . . . 16 LEU CD1 . 16871 1 207 . 1 1 16 16 LEU CD2 C 13 25.095 0.062 . 2 . . . . 16 LEU CD2 . 16871 1 208 . 1 1 16 16 LEU CG C 13 26.395 0.000 . 1 . . . . 16 LEU CG . 16871 1 209 . 1 1 16 16 LEU N N 15 116.319 0.056 . 1 . . . . 16 LEU N . 16871 1 210 . 1 1 17 17 ARG H H 1 8.495 0.005 . 1 . . . . 17 ARG H . 16871 1 211 . 1 1 17 17 ARG HA H 1 4.684 0.006 . 1 . . . . 17 ARG HA . 16871 1 212 . 1 1 17 17 ARG HB2 H 1 1.777 0.005 . 2 . . . . 17 ARG HB2 . 16871 1 213 . 1 1 17 17 ARG HB3 H 1 1.728 0.000 . 2 . . . . 17 ARG HB3 . 16871 1 214 . 1 1 17 17 ARG HD2 H 1 3.073 0.006 . 2 . . . . 17 ARG QD . 16871 1 215 . 1 1 17 17 ARG HD3 H 1 3.073 0.006 . 2 . . . . 17 ARG QD . 16871 1 216 . 1 1 17 17 ARG HG2 H 1 1.617 0.008 . 2 . . . . 17 ARG HG2 . 16871 1 217 . 1 1 17 17 ARG HG3 H 1 1.350 0.004 . 2 . . . . 17 ARG HG3 . 16871 1 218 . 1 1 17 17 ARG C C 13 175.243 0.013 . 1 . . . . 17 ARG C . 16871 1 219 . 1 1 17 17 ARG CA C 13 55.129 0.188 . 1 . . . . 17 ARG CA . 16871 1 220 . 1 1 17 17 ARG CB C 13 31.035 0.074 . 1 . . . . 17 ARG CB . 16871 1 221 . 1 1 17 17 ARG CD C 13 43.586 0.000 . 1 . . . . 17 ARG CD . 16871 1 222 . 1 1 17 17 ARG CG C 13 26.970 0.000 . 1 . . . . 17 ARG CG . 16871 1 223 . 1 1 17 17 ARG N N 15 124.711 0.076 . 1 . . . . 17 ARG N . 16871 1 224 . 1 1 18 18 LEU H H 1 8.675 0.006 . 1 . . . . 18 LEU H . 16871 1 225 . 1 1 18 18 LEU HA H 1 4.743 0.006 . 1 . . . . 18 LEU HA . 16871 1 226 . 1 1 18 18 LEU HB2 H 1 1.591 0.002 . 2 . . . . 18 LEU HB2 . 16871 1 227 . 1 1 18 18 LEU HB3 H 1 1.165 0.006 . 2 . . . . 18 LEU HB3 . 16871 1 228 . 1 1 18 18 LEU HD11 H 1 0.629 0.007 . 2 . . . . 18 LEU MD1 . 16871 1 229 . 1 1 18 18 LEU HD12 H 1 0.629 0.007 . 2 . . . . 18 LEU MD1 . 16871 1 230 . 1 1 18 18 LEU HD13 H 1 0.629 0.007 . 2 . . . . 18 LEU MD1 . 16871 1 231 . 1 1 18 18 LEU HD21 H 1 0.497 0.002 . 2 . . . . 18 LEU MD2 . 16871 1 232 . 1 1 18 18 LEU HD22 H 1 0.497 0.002 . 2 . . . . 18 LEU MD2 . 16871 1 233 . 1 1 18 18 LEU HD23 H 1 0.497 0.002 . 2 . . . . 18 LEU MD2 . 16871 1 234 . 1 1 18 18 LEU HG H 1 1.528 0.000 . 1 . . . . 18 LEU HG . 16871 1 235 . 1 1 18 18 LEU C C 13 174.597 0.000 . 1 . . . . 18 LEU C . 16871 1 236 . 1 1 18 18 LEU CA C 13 53.373 0.086 . 1 . . . . 18 LEU CA . 16871 1 237 . 1 1 18 18 LEU CB C 13 43.721 0.072 . 1 . . . . 18 LEU CB . 16871 1 238 . 1 1 18 18 LEU CD1 C 13 25.284 0.035 . 2 . . . . 18 LEU CD1 . 16871 1 239 . 1 1 18 18 LEU CD2 C 13 22.294 0.017 . 2 . . . . 18 LEU CD2 . 16871 1 240 . 1 1 18 18 LEU CG C 13 25.624 0.000 . 1 . . . . 18 LEU CG . 16871 1 241 . 1 1 18 18 LEU N N 15 125.555 0.083 . 1 . . . . 18 LEU N . 16871 1 242 . 1 1 19 19 ALA H H 1 8.387 0.007 . 1 . . . . 19 ALA H . 16871 1 243 . 1 1 19 19 ALA HA H 1 4.561 0.006 . 1 . . . . 19 ALA HA . 16871 1 244 . 1 1 19 19 ALA HB1 H 1 0.790 0.003 . 1 . . . . 19 ALA MB . 16871 1 245 . 1 1 19 19 ALA HB2 H 1 0.790 0.003 . 1 . . . . 19 ALA MB . 16871 1 246 . 1 1 19 19 ALA HB3 H 1 0.790 0.003 . 1 . . . . 19 ALA MB . 16871 1 247 . 1 1 19 19 ALA C C 13 174.263 0.033 . 1 . . . . 19 ALA C . 16871 1 248 . 1 1 19 19 ALA CA C 13 51.142 0.092 . 1 . . . . 19 ALA CA . 16871 1 249 . 1 1 19 19 ALA CB C 13 24.150 0.024 . 1 . . . . 19 ALA CB . 16871 1 250 . 1 1 19 19 ALA N N 15 122.868 0.073 . 1 . . . . 19 ALA N . 16871 1 251 . 1 1 20 20 SER H H 1 8.778 0.007 . 1 . . . . 20 SER H . 16871 1 252 . 1 1 20 20 SER HA H 1 6.018 0.003 . 1 . . . . 20 SER HA . 16871 1 253 . 1 1 20 20 SER HB2 H 1 4.063 0.006 . 2 . . . . 20 SER HB2 . 16871 1 254 . 1 1 20 20 SER HB3 H 1 3.553 0.006 . 2 . . . . 20 SER HB3 . 16871 1 255 . 1 1 20 20 SER C C 13 174.760 0.000 . 1 . . . . 20 SER C . 16871 1 256 . 1 1 20 20 SER CA C 13 56.898 0.092 . 1 . . . . 20 SER CA . 16871 1 257 . 1 1 20 20 SER CB C 13 67.757 0.052 . 1 . . . . 20 SER CB . 16871 1 258 . 1 1 20 20 SER N N 15 111.973 0.061 . 1 . . . . 20 SER N . 16871 1 259 . 1 1 21 21 HIS H H 1 9.263 0.006 . 1 . . . . 21 HIS H . 16871 1 260 . 1 1 21 21 HIS HA H 1 5.436 0.004 . 1 . . . . 21 HIS HA . 16871 1 261 . 1 1 21 21 HIS HB2 H 1 3.125 0.000 . 2 . . . . 21 HIS QB . 16871 1 262 . 1 1 21 21 HIS HB3 H 1 3.125 0.000 . 2 . . . . 21 HIS QB . 16871 1 263 . 1 1 21 21 HIS HD2 H 1 7.164 0.013 . 1 . . . . 21 HIS HD2 . 16871 1 264 . 1 1 21 21 HIS C C 13 174.353 0.017 . 1 . . . . 21 HIS C . 16871 1 265 . 1 1 21 21 HIS CA C 13 53.247 0.000 . 1 . . . . 21 HIS CA . 16871 1 266 . 1 1 21 21 HIS CB C 13 33.486 0.000 . 1 . . . . 21 HIS CB . 16871 1 267 . 1 1 21 21 HIS N N 15 118.668 0.055 . 1 . . . . 21 HIS N . 16871 1 268 . 1 1 22 22 ILE H H 1 8.394 0.007 . 1 . . . . 22 ILE H . 16871 1 269 . 1 1 22 22 ILE HA H 1 4.957 0.004 . 1 . . . . 22 ILE HA . 16871 1 270 . 1 1 22 22 ILE HB H 1 1.922 0.003 . 1 . . . . 22 ILE HB . 16871 1 271 . 1 1 22 22 ILE HD11 H 1 0.629 0.000 . 1 . . . . 22 ILE MD . 16871 1 272 . 1 1 22 22 ILE HD12 H 1 0.629 0.000 . 1 . . . . 22 ILE MD . 16871 1 273 . 1 1 22 22 ILE HD13 H 1 0.629 0.000 . 1 . . . . 22 ILE MD . 16871 1 274 . 1 1 22 22 ILE HG12 H 1 1.798 0.003 . 2 . . . . 22 ILE HG12 . 16871 1 275 . 1 1 22 22 ILE HG13 H 1 1.279 0.002 . 2 . . . . 22 ILE HG13 . 16871 1 276 . 1 1 22 22 ILE HG21 H 1 0.832 0.000 . 1 . . . . 22 ILE MG . 16871 1 277 . 1 1 22 22 ILE HG22 H 1 0.832 0.000 . 1 . . . . 22 ILE MG . 16871 1 278 . 1 1 22 22 ILE HG23 H 1 0.832 0.000 . 1 . . . . 22 ILE MG . 16871 1 279 . 1 1 22 22 ILE C C 13 174.444 0.000 . 1 . . . . 22 ILE C . 16871 1 280 . 1 1 22 22 ILE CA C 13 57.495 0.079 . 1 . . . . 22 ILE CA . 16871 1 281 . 1 1 22 22 ILE CB C 13 37.835 0.132 . 1 . . . . 22 ILE CB . 16871 1 282 . 1 1 22 22 ILE CD1 C 13 9.606 0.019 . 1 . . . . 22 ILE CD1 . 16871 1 283 . 1 1 22 22 ILE CG1 C 13 27.439 0.000 . 1 . . . . 22 ILE CG1 . 16871 1 284 . 1 1 22 22 ILE CG2 C 13 19.636 0.000 . 1 . . . . 22 ILE CG2 . 16871 1 285 . 1 1 22 22 ILE N N 15 121.501 0.081 . 1 . . . . 22 ILE N . 16871 1 286 . 1 1 23 23 PHE H H 1 9.244 0.004 . 1 . . . . 23 PHE H . 16871 1 287 . 1 1 23 23 PHE HA H 1 5.574 0.005 . 1 . . . . 23 PHE HA . 16871 1 288 . 1 1 23 23 PHE HB2 H 1 2.831 0.003 . 2 . . . . 23 PHE HB2 . 16871 1 289 . 1 1 23 23 PHE HB3 H 1 2.405 0.006 . 2 . . . . 23 PHE HB3 . 16871 1 290 . 1 1 23 23 PHE HD1 H 1 6.643 0.004 . 3 . . . . 23 PHE QD . 16871 1 291 . 1 1 23 23 PHE HD2 H 1 6.643 0.004 . 3 . . . . 23 PHE QD . 16871 1 292 . 1 1 23 23 PHE HE1 H 1 6.870 0.010 . 3 . . . . 23 PHE QE . 16871 1 293 . 1 1 23 23 PHE HE2 H 1 6.870 0.010 . 3 . . . . 23 PHE QE . 16871 1 294 . 1 1 23 23 PHE HZ H 1 7.032 0.007 . 1 . . . . 23 PHE HZ . 16871 1 295 . 1 1 23 23 PHE C C 13 172.557 0.000 . 1 . . . . 23 PHE C . 16871 1 296 . 1 1 23 23 PHE CA C 13 54.682 0.062 . 1 . . . . 23 PHE CA . 16871 1 297 . 1 1 23 23 PHE CB C 13 43.269 0.056 . 1 . . . . 23 PHE CB . 16871 1 298 . 1 1 23 23 PHE N N 15 123.766 0.064 . 1 . . . . 23 PHE N . 16871 1 299 . 1 1 24 24 VAL H H 1 8.861 0.008 . 1 . . . . 24 VAL H . 16871 1 300 . 1 1 24 24 VAL HA H 1 3.604 0.006 . 1 . . . . 24 VAL HA . 16871 1 301 . 1 1 24 24 VAL HB H 1 2.227 0.008 . 1 . . . . 24 VAL HB . 16871 1 302 . 1 1 24 24 VAL HG11 H 1 0.679 0.003 . 2 . . . . 24 VAL MG1 . 16871 1 303 . 1 1 24 24 VAL HG12 H 1 0.679 0.003 . 2 . . . . 24 VAL MG1 . 16871 1 304 . 1 1 24 24 VAL HG13 H 1 0.679 0.003 . 2 . . . . 24 VAL MG1 . 16871 1 305 . 1 1 24 24 VAL HG21 H 1 0.600 0.001 . 2 . . . . 24 VAL MG2 . 16871 1 306 . 1 1 24 24 VAL HG22 H 1 0.600 0.001 . 2 . . . . 24 VAL MG2 . 16871 1 307 . 1 1 24 24 VAL HG23 H 1 0.600 0.001 . 2 . . . . 24 VAL MG2 . 16871 1 308 . 1 1 24 24 VAL C C 13 174.298 0.018 . 1 . . . . 24 VAL C . 16871 1 309 . 1 1 24 24 VAL CA C 13 62.941 0.238 . 1 . . . . 24 VAL CA . 16871 1 310 . 1 1 24 24 VAL CB C 13 31.390 0.117 . 1 . . . . 24 VAL CB . 16871 1 311 . 1 1 24 24 VAL CG1 C 13 21.107 0.000 . 2 . . . . 24 VAL CG1 . 16871 1 312 . 1 1 24 24 VAL CG2 C 13 23.176 0.000 . 2 . . . . 24 VAL CG2 . 16871 1 313 . 1 1 24 24 VAL N N 15 119.059 0.039 . 1 . . . . 24 VAL N . 16871 1 314 . 1 1 25 25 LYS H H 1 8.628 0.006 . 1 . . . . 25 LYS H . 16871 1 315 . 1 1 25 25 LYS HA H 1 4.253 0.006 . 1 . . . . 25 LYS HA . 16871 1 316 . 1 1 25 25 LYS HB2 H 1 1.422 0.000 . 2 . . . . 25 LYS HB2 . 16871 1 317 . 1 1 25 25 LYS HB3 H 1 1.146 0.004 . 2 . . . . 25 LYS HB3 . 16871 1 318 . 1 1 25 25 LYS HD2 H 1 1.766 0.003 . 2 . . . . 25 LYS HD2 . 16871 1 319 . 1 1 25 25 LYS HD3 H 1 1.371 0.003 . 2 . . . . 25 LYS HD3 . 16871 1 320 . 1 1 25 25 LYS HE2 H 1 2.950 0.000 . 2 . . . . 25 LYS QE . 16871 1 321 . 1 1 25 25 LYS HE3 H 1 2.950 0.000 . 2 . . . . 25 LYS QE . 16871 1 322 . 1 1 25 25 LYS HG2 H 1 1.349 0.000 . 2 . . . . 25 LYS HG2 . 16871 1 323 . 1 1 25 25 LYS HG3 H 1 1.316 0.000 . 2 . . . . 25 LYS HG3 . 16871 1 324 . 1 1 25 25 LYS C C 13 175.628 0.001 . 1 . . . . 25 LYS C . 16871 1 325 . 1 1 25 25 LYS CA C 13 56.917 0.087 . 1 . . . . 25 LYS CA . 16871 1 326 . 1 1 25 25 LYS CB C 13 33.627 0.093 . 1 . . . . 25 LYS CB . 16871 1 327 . 1 1 25 25 LYS CD C 13 28.935 0.000 . 1 . . . . 25 LYS CD . 16871 1 328 . 1 1 25 25 LYS CE C 13 42.176 0.000 . 1 . . . . 25 LYS CE . 16871 1 329 . 1 1 25 25 LYS CG C 13 24.693 0.000 . 1 . . . . 25 LYS CG . 16871 1 330 . 1 1 25 25 LYS N N 15 132.860 0.082 . 1 . . . . 25 LYS N . 16871 1 331 . 1 1 26 26 GLU H H 1 7.604 0.004 . 1 . . . . 26 GLU H . 16871 1 332 . 1 1 26 26 GLU HA H 1 4.601 0.003 . 1 . . . . 26 GLU HA . 16871 1 333 . 1 1 26 26 GLU HB2 H 1 1.805 0.009 . 2 . . . . 26 GLU QB . 16871 1 334 . 1 1 26 26 GLU HB3 H 1 1.805 0.009 . 2 . . . . 26 GLU QB . 16871 1 335 . 1 1 26 26 GLU HG2 H 1 2.160 0.007 . 2 . . . . 26 GLU HG2 . 16871 1 336 . 1 1 26 26 GLU HG3 H 1 2.023 0.000 . 2 . . . . 26 GLU HG3 . 16871 1 337 . 1 1 26 26 GLU C C 13 173.514 0.004 . 1 . . . . 26 GLU C . 16871 1 338 . 1 1 26 26 GLU CA C 13 55.000 0.039 . 1 . . . . 26 GLU CA . 16871 1 339 . 1 1 26 26 GLU CB C 13 34.656 0.036 . 1 . . . . 26 GLU CB . 16871 1 340 . 1 1 26 26 GLU CG C 13 36.310 0.000 . 1 . . . . 26 GLU CG . 16871 1 341 . 1 1 26 26 GLU N N 15 114.624 0.092 . 1 . . . . 26 GLU N . 16871 1 342 . 1 1 27 27 ILE H H 1 9.048 0.006 . 1 . . . . 27 ILE H . 16871 1 343 . 1 1 27 27 ILE HA H 1 4.760 0.005 . 1 . . . . 27 ILE HA . 16871 1 344 . 1 1 27 27 ILE HB H 1 1.560 0.003 . 1 . . . . 27 ILE HB . 16871 1 345 . 1 1 27 27 ILE HD11 H 1 0.560 0.003 . 1 . . . . 27 ILE MD . 16871 1 346 . 1 1 27 27 ILE HD12 H 1 0.560 0.003 . 1 . . . . 27 ILE MD . 16871 1 347 . 1 1 27 27 ILE HD13 H 1 0.560 0.003 . 1 . . . . 27 ILE MD . 16871 1 348 . 1 1 27 27 ILE HG12 H 1 1.277 0.004 . 1 . . . . 27 ILE HG1# . 16871 1 349 . 1 1 27 27 ILE HG13 H 1 1.277 0.004 . 1 . . . . 27 ILE HG1# . 16871 1 350 . 1 1 27 27 ILE HG21 H 1 0.610 0.003 . 1 . . . . 27 ILE MG . 16871 1 351 . 1 1 27 27 ILE HG22 H 1 0.610 0.003 . 1 . . . . 27 ILE MG . 16871 1 352 . 1 1 27 27 ILE HG23 H 1 0.610 0.003 . 1 . . . . 27 ILE MG . 16871 1 353 . 1 1 27 27 ILE C C 13 176.512 0.028 . 1 . . . . 27 ILE C . 16871 1 354 . 1 1 27 27 ILE CA C 13 59.657 0.110 . 1 . . . . 27 ILE CA . 16871 1 355 . 1 1 27 27 ILE CB C 13 40.033 0.121 . 1 . . . . 27 ILE CB . 16871 1 356 . 1 1 27 27 ILE CD1 C 13 14.720 0.000 . 1 . . . . 27 ILE CD1 . 16871 1 357 . 1 1 27 27 ILE CG1 C 13 28.145 0.000 . 1 . . . . 27 ILE CG1 . 16871 1 358 . 1 1 27 27 ILE CG2 C 13 17.943 0.000 . 1 . . . . 27 ILE CG2 . 16871 1 359 . 1 1 27 27 ILE N N 15 124.762 0.057 . 1 . . . . 27 ILE N . 16871 1 360 . 1 1 28 28 SER H H 1 8.996 0.006 . 1 . . . . 28 SER H . 16871 1 361 . 1 1 28 28 SER HA H 1 4.398 0.003 . 1 . . . . 28 SER HA . 16871 1 362 . 1 1 28 28 SER HB2 H 1 3.714 0.007 . 2 . . . . 28 SER HB2 . 16871 1 363 . 1 1 28 28 SER HB3 H 1 3.835 0.005 . 2 . . . . 28 SER HB3 . 16871 1 364 . 1 1 28 28 SER C C 13 175.696 0.000 . 1 . . . . 28 SER C . 16871 1 365 . 1 1 28 28 SER CA C 13 58.741 0.103 . 1 . . . . 28 SER CA . 16871 1 366 . 1 1 28 28 SER CB C 13 63.736 0.031 . 1 . . . . 28 SER CB . 16871 1 367 . 1 1 28 28 SER N N 15 123.904 0.043 . 1 . . . . 28 SER N . 16871 1 368 . 1 1 29 29 GLN H H 1 8.951 0.006 . 1 . . . . 29 GLN H . 16871 1 369 . 1 1 29 29 GLN HA H 1 3.964 0.003 . 1 . . . . 29 GLN HA . 16871 1 370 . 1 1 29 29 GLN HB2 H 1 2.002 0.007 . 2 . . . . 29 GLN QB . 16871 1 371 . 1 1 29 29 GLN HB3 H 1 2.002 0.007 . 2 . . . . 29 GLN QB . 16871 1 372 . 1 1 29 29 GLN HE21 H 1 7.539 0.003 . 2 . . . . 29 GLN HE21 . 16871 1 373 . 1 1 29 29 GLN HE22 H 1 6.815 0.004 . 2 . . . . 29 GLN HE22 . 16871 1 374 . 1 1 29 29 GLN HG2 H 1 2.396 0.002 . 2 . . . . 29 GLN QG . 16871 1 375 . 1 1 29 29 GLN HG3 H 1 2.396 0.002 . 2 . . . . 29 GLN QG . 16871 1 376 . 1 1 29 29 GLN C C 13 176.077 0.013 . 1 . . . . 29 GLN C . 16871 1 377 . 1 1 29 29 GLN CA C 13 57.926 0.051 . 1 . . . . 29 GLN CA . 16871 1 378 . 1 1 29 29 GLN CB C 13 28.732 0.104 . 1 . . . . 29 GLN CB . 16871 1 379 . 1 1 29 29 GLN CG C 13 33.773 0.092 . 1 . . . . 29 GLN CG . 16871 1 380 . 1 1 29 29 GLN N N 15 126.234 0.038 . 1 . . . . 29 GLN N . 16871 1 381 . 1 1 29 29 GLN NE2 N 15 111.976 0.221 . 1 . . . . 29 GLN NE2 . 16871 1 382 . 1 1 30 30 ASP H H 1 8.902 0.005 . 1 . . . . 30 ASP H . 16871 1 383 . 1 1 30 30 ASP HA H 1 4.391 0.001 . 1 . . . . 30 ASP HA . 16871 1 384 . 1 1 30 30 ASP HB2 H 1 2.891 0.002 . 2 . . . . 30 ASP HB2 . 16871 1 385 . 1 1 30 30 ASP HB3 H 1 2.644 0.003 . 2 . . . . 30 ASP HB3 . 16871 1 386 . 1 1 30 30 ASP C C 13 174.314 0.000 . 1 . . . . 30 ASP C . 16871 1 387 . 1 1 30 30 ASP CA C 13 55.577 0.087 . 1 . . . . 30 ASP CA . 16871 1 388 . 1 1 30 30 ASP CB C 13 39.794 0.062 . 1 . . . . 30 ASP CB . 16871 1 389 . 1 1 30 30 ASP N N 15 118.467 0.051 . 1 . . . . 30 ASP N . 16871 1 390 . 1 1 31 31 SER H H 1 7.227 0.003 . 1 . . . . 31 SER H . 16871 1 391 . 1 1 31 31 SER HA H 1 4.581 0.003 . 1 . . . . 31 SER HA . 16871 1 392 . 1 1 31 31 SER HB2 H 1 3.926 0.003 . 2 . . . . 31 SER HB2 . 16871 1 393 . 1 1 31 31 SER HB3 H 1 3.742 0.002 . 2 . . . . 31 SER HB3 . 16871 1 394 . 1 1 31 31 SER C C 13 174.911 0.014 . 1 . . . . 31 SER C . 16871 1 395 . 1 1 31 31 SER CA C 13 57.620 0.142 . 1 . . . . 31 SER CA . 16871 1 396 . 1 1 31 31 SER CB C 13 66.768 0.055 . 1 . . . . 31 SER CB . 16871 1 397 . 1 1 31 31 SER N N 15 112.070 0.057 . 1 . . . . 31 SER N . 16871 1 398 . 1 1 32 32 LEU H H 1 8.628 0.007 . 1 . . . . 32 LEU H . 16871 1 399 . 1 1 32 32 LEU HA H 1 4.063 0.008 . 1 . . . . 32 LEU HA . 16871 1 400 . 1 1 32 32 LEU HB2 H 1 1.950 0.008 . 2 . . . . 32 LEU HB2 . 16871 1 401 . 1 1 32 32 LEU HB3 H 1 1.589 0.003 . 2 . . . . 32 LEU HB3 . 16871 1 402 . 1 1 32 32 LEU HD11 H 1 0.905 0.005 . 2 . . . . 32 LEU MD1 . 16871 1 403 . 1 1 32 32 LEU HD12 H 1 0.905 0.005 . 2 . . . . 32 LEU MD1 . 16871 1 404 . 1 1 32 32 LEU HD13 H 1 0.905 0.005 . 2 . . . . 32 LEU MD1 . 16871 1 405 . 1 1 32 32 LEU HD21 H 1 0.722 0.002 . 2 . . . . 32 LEU MD2 . 16871 1 406 . 1 1 32 32 LEU HD22 H 1 0.722 0.002 . 2 . . . . 32 LEU MD2 . 16871 1 407 . 1 1 32 32 LEU HD23 H 1 0.722 0.002 . 2 . . . . 32 LEU MD2 . 16871 1 408 . 1 1 32 32 LEU HG H 1 1.618 0.004 . 1 . . . . 32 LEU HG . 16871 1 409 . 1 1 32 32 LEU C C 13 179.900 0.066 . 1 . . . . 32 LEU C . 16871 1 410 . 1 1 32 32 LEU CA C 13 58.175 0.128 . 1 . . . . 32 LEU CA . 16871 1 411 . 1 1 32 32 LEU CB C 13 42.711 0.062 . 1 . . . . 32 LEU CB . 16871 1 412 . 1 1 32 32 LEU CD1 C 13 23.425 0.000 . 2 . . . . 32 LEU CD1 . 16871 1 413 . 1 1 32 32 LEU CD2 C 13 26.137 0.000 . 2 . . . . 32 LEU CD2 . 16871 1 414 . 1 1 32 32 LEU CG C 13 27.026 0.060 . 1 . . . . 32 LEU CG . 16871 1 415 . 1 1 32 32 LEU N N 15 119.106 0.063 . 1 . . . . 32 LEU N . 16871 1 416 . 1 1 33 33 ALA H H 1 8.460 0.006 . 1 . . . . 33 ALA H . 16871 1 417 . 1 1 33 33 ALA HA H 1 4.038 0.004 . 1 . . . . 33 ALA HA . 16871 1 418 . 1 1 33 33 ALA HB1 H 1 1.327 0.005 . 1 . . . . 33 ALA MB . 16871 1 419 . 1 1 33 33 ALA HB2 H 1 1.327 0.005 . 1 . . . . 33 ALA MB . 16871 1 420 . 1 1 33 33 ALA HB3 H 1 1.327 0.005 . 1 . . . . 33 ALA MB . 16871 1 421 . 1 1 33 33 ALA C C 13 179.897 0.000 . 1 . . . . 33 ALA C . 16871 1 422 . 1 1 33 33 ALA CA C 13 55.251 0.063 . 1 . . . . 33 ALA CA . 16871 1 423 . 1 1 33 33 ALA CB C 13 19.127 0.133 . 1 . . . . 33 ALA CB . 16871 1 424 . 1 1 33 33 ALA N N 15 118.734 0.067 . 1 . . . . 33 ALA N . 16871 1 425 . 1 1 34 34 ALA H H 1 7.568 0.006 . 1 . . . . 34 ALA H . 16871 1 426 . 1 1 34 34 ALA HA H 1 4.029 0.002 . 1 . . . . 34 ALA HA . 16871 1 427 . 1 1 34 34 ALA HB1 H 1 1.550 0.002 . 1 . . . . 34 ALA MB . 16871 1 428 . 1 1 34 34 ALA HB2 H 1 1.550 0.002 . 1 . . . . 34 ALA MB . 16871 1 429 . 1 1 34 34 ALA HB3 H 1 1.550 0.002 . 1 . . . . 34 ALA MB . 16871 1 430 . 1 1 34 34 ALA C C 13 179.397 0.031 . 1 . . . . 34 ALA C . 16871 1 431 . 1 1 34 34 ALA CA C 13 55.003 0.033 . 1 . . . . 34 ALA CA . 16871 1 432 . 1 1 34 34 ALA CB C 13 18.716 0.074 . 1 . . . . 34 ALA CB . 16871 1 433 . 1 1 34 34 ALA N N 15 121.947 0.056 . 1 . . . . 34 ALA N . 16871 1 434 . 1 1 35 35 ARG H H 1 7.914 0.003 . 1 . . . . 35 ARG H . 16871 1 435 . 1 1 35 35 ARG HA H 1 4.029 0.001 . 1 . . . . 35 ARG HA . 16871 1 436 . 1 1 35 35 ARG HB2 H 1 1.908 0.003 . 2 . . . . 35 ARG HB2 . 16871 1 437 . 1 1 35 35 ARG HB3 H 1 1.795 0.000 . 2 . . . . 35 ARG HB3 . 16871 1 438 . 1 1 35 35 ARG HD2 H 1 3.169 0.003 . 2 . . . . 35 ARG HD2 . 16871 1 439 . 1 1 35 35 ARG HD3 H 1 3.061 0.004 . 2 . . . . 35 ARG HD3 . 16871 1 440 . 1 1 35 35 ARG HG2 H 1 1.753 0.000 . 2 . . . . 35 ARG HG2 . 16871 1 441 . 1 1 35 35 ARG HG3 H 1 1.654 0.002 . 2 . . . . 35 ARG HG3 . 16871 1 442 . 1 1 35 35 ARG C C 13 177.702 0.009 . 1 . . . . 35 ARG C . 16871 1 443 . 1 1 35 35 ARG CA C 13 58.406 0.146 . 1 . . . . 35 ARG CA . 16871 1 444 . 1 1 35 35 ARG CB C 13 30.704 0.116 . 1 . . . . 35 ARG CB . 16871 1 445 . 1 1 35 35 ARG CD C 13 43.780 0.000 . 1 . . . . 35 ARG CD . 16871 1 446 . 1 1 35 35 ARG CG C 13 28.439 0.000 . 1 . . . . 35 ARG CG . 16871 1 447 . 1 1 35 35 ARG N N 15 116.103 0.055 . 1 . . . . 35 ARG N . 16871 1 448 . 1 1 36 36 ASP H H 1 7.707 0.005 . 1 . . . . 36 ASP H . 16871 1 449 . 1 1 36 36 ASP HA H 1 4.380 0.008 . 1 . . . . 36 ASP HA . 16871 1 450 . 1 1 36 36 ASP HB2 H 1 2.636 0.000 . 2 . . . . 36 ASP HB2 . 16871 1 451 . 1 1 36 36 ASP HB3 H 1 2.587 0.001 . 2 . . . . 36 ASP HB3 . 16871 1 452 . 1 1 36 36 ASP C C 13 177.215 0.000 . 1 . . . . 36 ASP C . 16871 1 453 . 1 1 36 36 ASP CA C 13 57.287 0.066 . 1 . . . . 36 ASP CA . 16871 1 454 . 1 1 36 36 ASP CB C 13 43.879 0.062 . 1 . . . . 36 ASP CB . 16871 1 455 . 1 1 36 36 ASP N N 15 118.985 0.067 . 1 . . . . 36 ASP N . 16871 1 456 . 1 1 37 37 GLY H H 1 7.438 0.005 . 1 . . . . 37 GLY H . 16871 1 457 . 1 1 37 37 GLY HA2 H 1 4.025 0.002 . 2 . . . . 37 GLY HA2 . 16871 1 458 . 1 1 37 37 GLY HA3 H 1 3.892 0.005 . 2 . . . . 37 GLY HA3 . 16871 1 459 . 1 1 37 37 GLY C C 13 174.723 0.000 . 1 . . . . 37 GLY C . 16871 1 460 . 1 1 37 37 GLY CA C 13 46.217 0.048 . 1 . . . . 37 GLY CA . 16871 1 461 . 1 1 37 37 GLY N N 15 102.958 0.096 . 1 . . . . 37 GLY N . 16871 1 462 . 1 1 38 38 ASN H H 1 8.568 0.011 . 1 . . . . 38 ASN H . 16871 1 463 . 1 1 38 38 ASN HA H 1 4.652 0.005 . 1 . . . . 38 ASN HA . 16871 1 464 . 1 1 38 38 ASN HB2 H 1 2.920 0.003 . 2 . . . . 38 ASN HB2 . 16871 1 465 . 1 1 38 38 ASN HB3 H 1 2.485 0.005 . 2 . . . . 38 ASN HB3 . 16871 1 466 . 1 1 38 38 ASN HD21 H 1 8.193 0.004 . 2 . . . . 38 ASN HD21 . 16871 1 467 . 1 1 38 38 ASN HD22 H 1 6.893 0.004 . 2 . . . . 38 ASN HD22 . 16871 1 468 . 1 1 38 38 ASN C C 13 174.279 0.020 . 1 . . . . 38 ASN C . 16871 1 469 . 1 1 38 38 ASN CA C 13 55.364 0.104 . 1 . . . . 38 ASN CA . 16871 1 470 . 1 1 38 38 ASN CB C 13 39.998 0.074 . 1 . . . . 38 ASN CB . 16871 1 471 . 1 1 38 38 ASN N N 15 117.570 0.042 . 1 . . . . 38 ASN N . 16871 1 472 . 1 1 38 38 ASN ND2 N 15 117.189 0.252 . 1 . . . . 38 ASN ND2 . 16871 1 473 . 1 1 39 39 ILE H H 1 8.130 0.007 . 1 . . . . 39 ILE H . 16871 1 474 . 1 1 39 39 ILE HA H 1 4.139 0.003 . 1 . . . . 39 ILE HA . 16871 1 475 . 1 1 39 39 ILE HB H 1 1.515 0.004 . 1 . . . . 39 ILE HB . 16871 1 476 . 1 1 39 39 ILE HD11 H 1 0.833 0.000 . 1 . . . . 39 ILE MD . 16871 1 477 . 1 1 39 39 ILE HD12 H 1 0.833 0.000 . 1 . . . . 39 ILE MD . 16871 1 478 . 1 1 39 39 ILE HD13 H 1 0.833 0.000 . 1 . . . . 39 ILE MD . 16871 1 479 . 1 1 39 39 ILE HG12 H 1 1.673 0.004 . 2 . . . . 39 ILE HG12 . 16871 1 480 . 1 1 39 39 ILE HG13 H 1 0.842 0.007 . 2 . . . . 39 ILE HG13 . 16871 1 481 . 1 1 39 39 ILE HG21 H 1 0.801 0.005 . 1 . . . . 39 ILE MG . 16871 1 482 . 1 1 39 39 ILE HG22 H 1 0.801 0.005 . 1 . . . . 39 ILE MG . 16871 1 483 . 1 1 39 39 ILE HG23 H 1 0.801 0.005 . 1 . . . . 39 ILE MG . 16871 1 484 . 1 1 39 39 ILE C C 13 173.145 0.007 . 1 . . . . 39 ILE C . 16871 1 485 . 1 1 39 39 ILE CA C 13 60.483 0.109 . 1 . . . . 39 ILE CA . 16871 1 486 . 1 1 39 39 ILE CB C 13 39.754 0.085 . 1 . . . . 39 ILE CB . 16871 1 487 . 1 1 39 39 ILE CD1 C 13 15.094 0.000 . 1 . . . . 39 ILE CD1 . 16871 1 488 . 1 1 39 39 ILE CG1 C 13 28.549 0.000 . 1 . . . . 39 ILE CG1 . 16871 1 489 . 1 1 39 39 ILE CG2 C 13 18.112 0.000 . 1 . . . . 39 ILE CG2 . 16871 1 490 . 1 1 39 39 ILE N N 15 118.794 0.034 . 1 . . . . 39 ILE N . 16871 1 491 . 1 1 40 40 GLN H H 1 8.949 0.006 . 1 . . . . 40 GLN H . 16871 1 492 . 1 1 40 40 GLN HA H 1 4.490 0.004 . 1 . . . . 40 GLN HA . 16871 1 493 . 1 1 40 40 GLN HB2 H 1 1.984 0.004 . 2 . . . . 40 GLN HB2 . 16871 1 494 . 1 1 40 40 GLN HB3 H 1 1.793 0.003 . 2 . . . . 40 GLN HB3 . 16871 1 495 . 1 1 40 40 GLN HE21 H 1 7.203 0.004 . 2 . . . . 40 GLN HE21 . 16871 1 496 . 1 1 40 40 GLN HE22 H 1 6.666 0.005 . 2 . . . . 40 GLN HE22 . 16871 1 497 . 1 1 40 40 GLN HG2 H 1 2.211 0.007 . 2 . . . . 40 GLN HG2 . 16871 1 498 . 1 1 40 40 GLN HG3 H 1 2.145 0.002 . 2 . . . . 40 GLN HG3 . 16871 1 499 . 1 1 40 40 GLN C C 13 175.456 0.004 . 1 . . . . 40 GLN C . 16871 1 500 . 1 1 40 40 GLN CA C 13 53.535 0.079 . 1 . . . . 40 GLN CA . 16871 1 501 . 1 1 40 40 GLN CB C 13 31.827 0.098 . 1 . . . . 40 GLN CB . 16871 1 502 . 1 1 40 40 GLN CG C 13 33.660 0.439 . 1 . . . . 40 GLN CG . 16871 1 503 . 1 1 40 40 GLN N N 15 125.406 0.051 . 1 . . . . 40 GLN N . 16871 1 504 . 1 1 40 40 GLN NE2 N 15 110.902 0.084 . 1 . . . . 40 GLN NE2 . 16871 1 505 . 1 1 41 41 GLU H H 1 8.763 0.007 . 1 . . . . 41 GLU H . 16871 1 506 . 1 1 41 41 GLU HA H 1 3.557 0.005 . 1 . . . . 41 GLU HA . 16871 1 507 . 1 1 41 41 GLU HB2 H 1 1.933 0.004 . 2 . . . . 41 GLU HB2 . 16871 1 508 . 1 1 41 41 GLU HB3 H 1 1.837 0.006 . 2 . . . . 41 GLU HB3 . 16871 1 509 . 1 1 41 41 GLU HG2 H 1 2.311 0.002 . 2 . . . . 41 GLU HG2 . 16871 1 510 . 1 1 41 41 GLU HG3 H 1 2.000 0.002 . 2 . . . . 41 GLU HG3 . 16871 1 511 . 1 1 41 41 GLU C C 13 177.335 0.017 . 1 . . . . 41 GLU C . 16871 1 512 . 1 1 41 41 GLU CA C 13 59.089 0.085 . 1 . . . . 41 GLU CA . 16871 1 513 . 1 1 41 41 GLU CB C 13 28.925 0.151 . 1 . . . . 41 GLU CB . 16871 1 514 . 1 1 41 41 GLU CG C 13 37.444 0.000 . 1 . . . . 41 GLU CG . 16871 1 515 . 1 1 41 41 GLU N N 15 121.099 0.035 . 1 . . . . 41 GLU N . 16871 1 516 . 1 1 42 42 GLY H H 1 9.597 0.010 . 1 . . . . 42 GLY H . 16871 1 517 . 1 1 42 42 GLY HA2 H 1 4.449 0.003 . 2 . . . . 42 GLY HA2 . 16871 1 518 . 1 1 42 42 GLY HA3 H 1 3.541 0.004 . 2 . . . . 42 GLY HA3 . 16871 1 519 . 1 1 42 42 GLY C C 13 174.215 0.000 . 1 . . . . 42 GLY C . 16871 1 520 . 1 1 42 42 GLY CA C 13 44.963 0.062 . 1 . . . . 42 GLY CA . 16871 1 521 . 1 1 42 42 GLY N N 15 114.019 0.070 . 1 . . . . 42 GLY N . 16871 1 522 . 1 1 43 43 ASP H H 1 7.958 0.008 . 1 . . . . 43 ASP H . 16871 1 523 . 1 1 43 43 ASP HA H 1 4.478 0.015 . 1 . . . . 43 ASP HA . 16871 1 524 . 1 1 43 43 ASP HB2 H 1 2.684 0.000 . 2 . . . . 43 ASP HB2 . 16871 1 525 . 1 1 43 43 ASP HB3 H 1 2.259 0.000 . 2 . . . . 43 ASP HB3 . 16871 1 526 . 1 1 43 43 ASP C C 13 175.963 0.000 . 1 . . . . 43 ASP C . 16871 1 527 . 1 1 43 43 ASP CA C 13 56.006 0.063 . 1 . . . . 43 ASP CA . 16871 1 528 . 1 1 43 43 ASP CB C 13 40.980 0.127 . 1 . . . . 43 ASP CB . 16871 1 529 . 1 1 43 43 ASP N N 15 121.555 0.028 . 1 . . . . 43 ASP N . 16871 1 530 . 1 1 44 44 VAL H H 1 8.515 0.011 . 1 . . . . 44 VAL H . 16871 1 531 . 1 1 44 44 VAL HA H 1 3.999 0.002 . 1 . . . . 44 VAL HA . 16871 1 532 . 1 1 44 44 VAL HB H 1 1.728 0.014 . 1 . . . . 44 VAL HB . 16871 1 533 . 1 1 44 44 VAL HG11 H 1 0.390 0.009 . 2 . . . . 44 VAL MG1 . 16871 1 534 . 1 1 44 44 VAL HG12 H 1 0.390 0.009 . 2 . . . . 44 VAL MG1 . 16871 1 535 . 1 1 44 44 VAL HG13 H 1 0.390 0.009 . 2 . . . . 44 VAL MG1 . 16871 1 536 . 1 1 44 44 VAL HG21 H 1 0.632 0.003 . 2 . . . . 44 VAL MG2 . 16871 1 537 . 1 1 44 44 VAL HG22 H 1 0.632 0.003 . 2 . . . . 44 VAL MG2 . 16871 1 538 . 1 1 44 44 VAL HG23 H 1 0.632 0.003 . 2 . . . . 44 VAL MG2 . 16871 1 539 . 1 1 44 44 VAL C C 13 175.779 0.010 . 1 . . . . 44 VAL C . 16871 1 540 . 1 1 44 44 VAL CA C 13 62.668 0.140 . 1 . . . . 44 VAL CA . 16871 1 541 . 1 1 44 44 VAL CB C 13 32.739 0.046 . 1 . . . . 44 VAL CB . 16871 1 542 . 1 1 44 44 VAL CG1 C 13 22.017 0.000 . 2 . . . . 44 VAL CG1 . 16871 1 543 . 1 1 44 44 VAL CG2 C 13 20.608 0.000 . 2 . . . . 44 VAL CG2 . 16871 1 544 . 1 1 44 44 VAL N N 15 122.431 0.093 . 1 . . . . 44 VAL N . 16871 1 545 . 1 1 45 45 VAL H H 1 8.803 0.009 . 1 . . . . 45 VAL H . 16871 1 546 . 1 1 45 45 VAL HA H 1 4.034 0.002 . 1 . . . . 45 VAL HA . 16871 1 547 . 1 1 45 45 VAL HB H 1 1.716 0.007 . 1 . . . . 45 VAL HB . 16871 1 548 . 1 1 45 45 VAL HG11 H 1 0.714 0.004 . 2 . . . . 45 VAL MG1 . 16871 1 549 . 1 1 45 45 VAL HG12 H 1 0.714 0.004 . 2 . . . . 45 VAL MG1 . 16871 1 550 . 1 1 45 45 VAL HG13 H 1 0.714 0.004 . 2 . . . . 45 VAL MG1 . 16871 1 551 . 1 1 45 45 VAL HG21 H 1 0.670 0.004 . 2 . . . . 45 VAL MG2 . 16871 1 552 . 1 1 45 45 VAL HG22 H 1 0.670 0.004 . 2 . . . . 45 VAL MG2 . 16871 1 553 . 1 1 45 45 VAL HG23 H 1 0.670 0.004 . 2 . . . . 45 VAL MG2 . 16871 1 554 . 1 1 45 45 VAL C C 13 174.942 0.030 . 1 . . . . 45 VAL C . 16871 1 555 . 1 1 45 45 VAL CA C 13 62.070 0.061 . 1 . . . . 45 VAL CA . 16871 1 556 . 1 1 45 45 VAL CB C 13 32.022 0.211 . 1 . . . . 45 VAL CB . 16871 1 557 . 1 1 45 45 VAL CG1 C 13 22.529 0.045 . 2 . . . . 45 VAL CG1 . 16871 1 558 . 1 1 45 45 VAL CG2 C 13 21.334 0.105 . 2 . . . . 45 VAL CG2 . 16871 1 559 . 1 1 45 45 VAL N N 15 128.388 0.069 . 1 . . . . 45 VAL N . 16871 1 560 . 1 1 46 46 LEU H H 1 8.975 0.017 . 1 . . . . 46 LEU H . 16871 1 561 . 1 1 46 46 LEU HA H 1 4.332 0.007 . 1 . . . . 46 LEU HA . 16871 1 562 . 1 1 46 46 LEU HB2 H 1 1.493 0.005 . 2 . . . . 46 LEU HB2 . 16871 1 563 . 1 1 46 46 LEU HB3 H 1 1.364 0.000 . 2 . . . . 46 LEU HB3 . 16871 1 564 . 1 1 46 46 LEU HD11 H 1 0.710 0.003 . 2 . . . . 46 LEU QD . 16871 1 565 . 1 1 46 46 LEU HD12 H 1 0.710 0.003 . 2 . . . . 46 LEU QD . 16871 1 566 . 1 1 46 46 LEU HD13 H 1 0.710 0.003 . 2 . . . . 46 LEU QD . 16871 1 567 . 1 1 46 46 LEU HD21 H 1 0.710 0.003 . 2 . . . . 46 LEU QD . 16871 1 568 . 1 1 46 46 LEU HD22 H 1 0.710 0.003 . 2 . . . . 46 LEU QD . 16871 1 569 . 1 1 46 46 LEU HD23 H 1 0.710 0.003 . 2 . . . . 46 LEU QD . 16871 1 570 . 1 1 46 46 LEU HG H 1 1.418 0.001 . 1 . . . . 46 LEU HG . 16871 1 571 . 1 1 46 46 LEU CA C 13 56.191 0.008 . 1 . . . . 46 LEU CA . 16871 1 572 . 1 1 46 46 LEU CB C 13 43.656 0.030 . 1 . . . . 46 LEU CB . 16871 1 573 . 1 1 46 46 LEU CD1 C 13 22.802 0.000 . 2 . . . . 46 LEU CD1 . 16871 1 574 . 1 1 46 46 LEU CD2 C 13 22.802 0.000 . 2 . . . . 46 LEU CD2 . 16871 1 575 . 1 1 46 46 LEU CG C 13 25.644 0.000 . 1 . . . . 46 LEU CG . 16871 1 576 . 1 1 46 46 LEU N N 15 126.961 0.068 . 1 . . . . 46 LEU N . 16871 1 577 . 1 1 47 47 LYS H H 1 7.477 0.006 . 1 . . . . 47 LYS H . 16871 1 578 . 1 1 47 47 LYS HA H 1 5.166 0.005 . 1 . . . . 47 LYS HA . 16871 1 579 . 1 1 47 47 LYS HB2 H 1 1.486 0.005 . 2 . . . . 47 LYS HB2 . 16871 1 580 . 1 1 47 47 LYS HB3 H 1 1.394 0.005 . 2 . . . . 47 LYS HB3 . 16871 1 581 . 1 1 47 47 LYS HD2 H 1 1.429 0.003 . 2 . . . . 47 LYS HD2 . 16871 1 582 . 1 1 47 47 LYS HD3 H 1 1.406 0.001 . 2 . . . . 47 LYS HD3 . 16871 1 583 . 1 1 47 47 LYS HE2 H 1 2.772 0.001 . 2 . . . . 47 LYS QE . 16871 1 584 . 1 1 47 47 LYS HE3 H 1 2.772 0.001 . 2 . . . . 47 LYS QE . 16871 1 585 . 1 1 47 47 LYS HG2 H 1 1.205 0.004 . 2 . . . . 47 LYS HG2 . 16871 1 586 . 1 1 47 47 LYS HG3 H 1 1.117 0.005 . 2 . . . . 47 LYS HG3 . 16871 1 587 . 1 1 47 47 LYS C C 13 175.114 0.012 . 1 . . . . 47 LYS C . 16871 1 588 . 1 1 47 47 LYS CA C 13 55.828 0.224 . 1 . . . . 47 LYS CA . 16871 1 589 . 1 1 47 47 LYS CB C 13 39.008 0.126 . 1 . . . . 47 LYS CB . 16871 1 590 . 1 1 47 47 LYS CD C 13 30.363 0.000 . 1 . . . . 47 LYS CD . 16871 1 591 . 1 1 47 47 LYS CE C 13 42.453 0.000 . 1 . . . . 47 LYS CE . 16871 1 592 . 1 1 47 47 LYS CG C 13 26.175 0.000 . 1 . . . . 47 LYS CG . 16871 1 593 . 1 1 47 47 LYS N N 15 116.415 0.051 . 1 . . . . 47 LYS N . 16871 1 594 . 1 1 48 48 ILE H H 1 8.353 0.009 . 1 . . . . 48 ILE H . 16871 1 595 . 1 1 48 48 ILE HA H 1 4.221 0.005 . 1 . . . . 48 ILE HA . 16871 1 596 . 1 1 48 48 ILE HB H 1 1.425 0.009 . 1 . . . . 48 ILE HB . 16871 1 597 . 1 1 48 48 ILE HD11 H 1 0.692 0.000 . 1 . . . . 48 ILE MD . 16871 1 598 . 1 1 48 48 ILE HD12 H 1 0.692 0.000 . 1 . . . . 48 ILE MD . 16871 1 599 . 1 1 48 48 ILE HD13 H 1 0.692 0.000 . 1 . . . . 48 ILE MD . 16871 1 600 . 1 1 48 48 ILE HG12 H 1 1.367 0.000 . 2 . . . . 48 ILE HG12 . 16871 1 601 . 1 1 48 48 ILE HG13 H 1 0.591 0.000 . 2 . . . . 48 ILE HG13 . 16871 1 602 . 1 1 48 48 ILE HG21 H 1 0.619 0.005 . 1 . . . . 48 ILE MG . 16871 1 603 . 1 1 48 48 ILE HG22 H 1 0.619 0.005 . 1 . . . . 48 ILE MG . 16871 1 604 . 1 1 48 48 ILE HG23 H 1 0.619 0.005 . 1 . . . . 48 ILE MG . 16871 1 605 . 1 1 48 48 ILE C C 13 174.728 0.009 . 1 . . . . 48 ILE C . 16871 1 606 . 1 1 48 48 ILE CA C 13 61.179 0.149 . 1 . . . . 48 ILE CA . 16871 1 607 . 1 1 48 48 ILE CB C 13 40.667 0.126 . 1 . . . . 48 ILE CB . 16871 1 608 . 1 1 48 48 ILE CD1 C 13 13.618 0.000 . 1 . . . . 48 ILE CD1 . 16871 1 609 . 1 1 48 48 ILE CG1 C 13 28.028 0.000 . 1 . . . . 48 ILE CG1 . 16871 1 610 . 1 1 48 48 ILE CG2 C 13 18.374 0.000 . 1 . . . . 48 ILE CG2 . 16871 1 611 . 1 1 48 48 ILE N N 15 119.984 0.084 . 1 . . . . 48 ILE N . 16871 1 612 . 1 1 49 49 ASN H H 1 9.746 0.008 . 1 . . . . 49 ASN H . 16871 1 613 . 1 1 49 49 ASN HA H 1 4.375 0.008 . 1 . . . . 49 ASN HA . 16871 1 614 . 1 1 49 49 ASN HB2 H 1 3.097 0.004 . 2 . . . . 49 ASN HB2 . 16871 1 615 . 1 1 49 49 ASN HB3 H 1 2.784 0.003 . 2 . . . . 49 ASN HB3 . 16871 1 616 . 1 1 49 49 ASN HD21 H 1 7.649 0.001 . 2 . . . . 49 ASN HD21 . 16871 1 617 . 1 1 49 49 ASN HD22 H 1 7.194 0.002 . 2 . . . . 49 ASN HD22 . 16871 1 618 . 1 1 49 49 ASN C C 13 175.568 0.000 . 1 . . . . 49 ASN C . 16871 1 619 . 1 1 49 49 ASN CA C 13 54.262 0.193 . 1 . . . . 49 ASN CA . 16871 1 620 . 1 1 49 49 ASN CB C 13 36.890 0.011 . 1 . . . . 49 ASN CB . 16871 1 621 . 1 1 49 49 ASN N N 15 126.964 0.040 . 1 . . . . 49 ASN N . 16871 1 622 . 1 1 49 49 ASN ND2 N 15 112.666 0.002 . 1 . . . . 49 ASN ND2 . 16871 1 623 . 1 1 50 50 GLY H H 1 8.952 0.015 . 1 . . . . 50 GLY H . 16871 1 624 . 1 1 50 50 GLY HA2 H 1 4.228 0.000 . 2 . . . . 50 GLY HA2 . 16871 1 625 . 1 1 50 50 GLY HA3 H 1 3.512 0.005 . 2 . . . . 50 GLY HA3 . 16871 1 626 . 1 1 50 50 GLY C C 13 173.856 0.000 . 1 . . . . 50 GLY C . 16871 1 627 . 1 1 50 50 GLY CA C 13 45.472 0.025 . 1 . . . . 50 GLY CA . 16871 1 628 . 1 1 50 50 GLY N N 15 104.200 0.089 . 1 . . . . 50 GLY N . 16871 1 629 . 1 1 51 51 THR H H 1 8.172 0.007 . 1 . . . . 51 THR H . 16871 1 630 . 1 1 51 51 THR HA H 1 4.404 0.007 . 1 . . . . 51 THR HA . 16871 1 631 . 1 1 51 51 THR HB H 1 4.105 0.001 . 1 . . . . 51 THR HB . 16871 1 632 . 1 1 51 51 THR HG21 H 1 1.190 0.004 . 1 . . . . 51 THR MG . 16871 1 633 . 1 1 51 51 THR HG22 H 1 1.190 0.004 . 1 . . . . 51 THR MG . 16871 1 634 . 1 1 51 51 THR HG23 H 1 1.190 0.004 . 1 . . . . 51 THR MG . 16871 1 635 . 1 1 51 51 THR C C 13 173.811 0.026 . 1 . . . . 51 THR C . 16871 1 636 . 1 1 51 51 THR CA C 13 62.597 0.084 . 1 . . . . 51 THR CA . 16871 1 637 . 1 1 51 51 THR CB C 13 69.726 0.036 . 1 . . . . 51 THR CB . 16871 1 638 . 1 1 51 51 THR CG2 C 13 21.973 0.000 . 1 . . . . 51 THR CG2 . 16871 1 639 . 1 1 51 51 THR N N 15 120.055 0.109 . 1 . . . . 51 THR N . 16871 1 640 . 1 1 52 52 VAL H H 1 8.627 0.006 . 1 . . . . 52 VAL H . 16871 1 641 . 1 1 52 52 VAL HA H 1 4.335 0.006 . 1 . . . . 52 VAL HA . 16871 1 642 . 1 1 52 52 VAL HB H 1 2.248 0.006 . 1 . . . . 52 VAL HB . 16871 1 643 . 1 1 52 52 VAL HG11 H 1 0.714 0.000 . 2 . . . . 52 VAL MG1 . 16871 1 644 . 1 1 52 52 VAL HG12 H 1 0.714 0.000 . 2 . . . . 52 VAL MG1 . 16871 1 645 . 1 1 52 52 VAL HG13 H 1 0.714 0.000 . 2 . . . . 52 VAL MG1 . 16871 1 646 . 1 1 52 52 VAL HG21 H 1 1.120 0.002 . 2 . . . . 52 VAL MG2 . 16871 1 647 . 1 1 52 52 VAL HG22 H 1 1.120 0.002 . 2 . . . . 52 VAL MG2 . 16871 1 648 . 1 1 52 52 VAL HG23 H 1 1.120 0.002 . 2 . . . . 52 VAL MG2 . 16871 1 649 . 1 1 52 52 VAL C C 13 177.044 0.005 . 1 . . . . 52 VAL C . 16871 1 650 . 1 1 52 52 VAL CA C 13 63.604 0.140 . 1 . . . . 52 VAL CA . 16871 1 651 . 1 1 52 52 VAL CB C 13 32.658 0.101 . 1 . . . . 52 VAL CB . 16871 1 652 . 1 1 52 52 VAL CG1 C 13 21.658 0.030 . 2 . . . . 52 VAL CG1 . 16871 1 653 . 1 1 52 52 VAL CG2 C 13 21.309 0.051 . 2 . . . . 52 VAL CG2 . 16871 1 654 . 1 1 52 52 VAL N N 15 127.178 0.043 . 1 . . . . 52 VAL N . 16871 1 655 . 1 1 53 53 THR H H 1 7.791 0.005 . 1 . . . . 53 THR H . 16871 1 656 . 1 1 53 53 THR HA H 1 4.388 0.001 . 1 . . . . 53 THR HA . 16871 1 657 . 1 1 53 53 THR HB H 1 4.435 0.001 . 1 . . . . 53 THR HB . 16871 1 658 . 1 1 53 53 THR HG21 H 1 1.026 0.009 . 1 . . . . 53 THR MG . 16871 1 659 . 1 1 53 53 THR HG22 H 1 1.026 0.009 . 1 . . . . 53 THR MG . 16871 1 660 . 1 1 53 53 THR HG23 H 1 1.026 0.009 . 1 . . . . 53 THR MG . 16871 1 661 . 1 1 53 53 THR C C 13 176.100 0.000 . 1 . . . . 53 THR C . 16871 1 662 . 1 1 53 53 THR CA C 13 61.894 0.075 . 1 . . . . 53 THR CA . 16871 1 663 . 1 1 53 53 THR CB C 13 68.992 0.117 . 1 . . . . 53 THR CB . 16871 1 664 . 1 1 53 53 THR CG2 C 13 21.556 0.000 . 1 . . . . 53 THR CG2 . 16871 1 665 . 1 1 53 53 THR N N 15 112.636 0.068 . 1 . . . . 53 THR N . 16871 1 666 . 1 1 54 54 GLU H H 1 7.536 0.006 . 1 . . . . 54 GLU H . 16871 1 667 . 1 1 54 54 GLU HA H 1 4.585 0.008 . 1 . . . . 54 GLU HA . 16871 1 668 . 1 1 54 54 GLU HB2 H 1 2.282 0.004 . 2 . . . . 54 GLU HB2 . 16871 1 669 . 1 1 54 54 GLU HB3 H 1 1.924 0.003 . 2 . . . . 54 GLU HB3 . 16871 1 670 . 1 1 54 54 GLU HG2 H 1 2.449 0.005 . 2 . . . . 54 GLU HG2 . 16871 1 671 . 1 1 54 54 GLU HG3 H 1 2.253 0.004 . 2 . . . . 54 GLU HG3 . 16871 1 672 . 1 1 54 54 GLU C C 13 177.197 0.003 . 1 . . . . 54 GLU C . 16871 1 673 . 1 1 54 54 GLU CA C 13 59.051 0.113 . 1 . . . . 54 GLU CA . 16871 1 674 . 1 1 54 54 GLU CB C 13 29.789 0.017 . 1 . . . . 54 GLU CB . 16871 1 675 . 1 1 54 54 GLU CG C 13 36.881 0.000 . 1 . . . . 54 GLU CG . 16871 1 676 . 1 1 54 54 GLU N N 15 126.913 0.057 . 1 . . . . 54 GLU N . 16871 1 677 . 1 1 55 55 ASN H H 1 9.046 0.009 . 1 . . . . 55 ASN H . 16871 1 678 . 1 1 55 55 ASN HA H 1 4.756 0.013 . 1 . . . . 55 ASN HA . 16871 1 679 . 1 1 55 55 ASN HB2 H 1 3.232 0.006 . 2 . . . . 55 ASN HB2 . 16871 1 680 . 1 1 55 55 ASN HB3 H 1 2.971 0.003 . 2 . . . . 55 ASN HB3 . 16871 1 681 . 1 1 55 55 ASN HD21 H 1 7.221 0.004 . 2 . . . . 55 ASN HD21 . 16871 1 682 . 1 1 55 55 ASN HD22 H 1 6.873 0.003 . 2 . . . . 55 ASN HD22 . 16871 1 683 . 1 1 55 55 ASN C C 13 173.908 0.000 . 1 . . . . 55 ASN C . 16871 1 684 . 1 1 55 55 ASN CA C 13 55.229 0.098 . 1 . . . . 55 ASN CA . 16871 1 685 . 1 1 55 55 ASN CB C 13 36.456 0.068 . 1 . . . . 55 ASN CB . 16871 1 686 . 1 1 55 55 ASN N N 15 121.769 0.063 . 1 . . . . 55 ASN N . 16871 1 687 . 1 1 55 55 ASN ND2 N 15 109.285 0.240 . 1 . . . . 55 ASN ND2 . 16871 1 688 . 1 1 56 56 MET H H 1 7.967 0.009 . 1 . . . . 56 MET H . 16871 1 689 . 1 1 56 56 MET HA H 1 4.403 0.006 . 1 . . . . 56 MET HA . 16871 1 690 . 1 1 56 56 MET HB2 H 1 2.022 0.007 . 2 . . . . 56 MET QB . 16871 1 691 . 1 1 56 56 MET HB3 H 1 2.022 0.007 . 2 . . . . 56 MET QB . 16871 1 692 . 1 1 56 56 MET HE1 H 1 1.995 0.002 . 1 . . . . 56 MET ME . 16871 1 693 . 1 1 56 56 MET HE2 H 1 1.995 0.002 . 1 . . . . 56 MET ME . 16871 1 694 . 1 1 56 56 MET HE3 H 1 1.995 0.002 . 1 . . . . 56 MET ME . 16871 1 695 . 1 1 56 56 MET HG2 H 1 2.931 0.010 . 2 . . . . 56 MET HG2 . 16871 1 696 . 1 1 56 56 MET HG3 H 1 2.515 0.009 . 2 . . . . 56 MET HG3 . 16871 1 697 . 1 1 56 56 MET C C 13 175.969 0.005 . 1 . . . . 56 MET C . 16871 1 698 . 1 1 56 56 MET CA C 13 55.805 0.172 . 1 . . . . 56 MET CA . 16871 1 699 . 1 1 56 56 MET CB C 13 35.666 0.080 . 1 . . . . 56 MET CB . 16871 1 700 . 1 1 56 56 MET CE C 13 17.210 0.004 . 1 . . . . 56 MET CE . 16871 1 701 . 1 1 56 56 MET CG C 13 32.319 0.000 . 1 . . . . 56 MET CG . 16871 1 702 . 1 1 56 56 MET N N 15 122.489 0.062 . 1 . . . . 56 MET N . 16871 1 703 . 1 1 57 57 SER H H 1 9.313 0.007 . 1 . . . . 57 SER H . 16871 1 704 . 1 1 57 57 SER HA H 1 4.366 0.011 . 1 . . . . 57 SER HA . 16871 1 705 . 1 1 57 57 SER HB2 H 1 4.222 0.002 . 2 . . . . 57 SER HB2 . 16871 1 706 . 1 1 57 57 SER HB3 H 1 4.036 0.000 . 2 . . . . 57 SER HB3 . 16871 1 707 . 1 1 57 57 SER C C 13 175.224 0.012 . 1 . . . . 57 SER C . 16871 1 708 . 1 1 57 57 SER CA C 13 57.880 0.090 . 1 . . . . 57 SER CA . 16871 1 709 . 1 1 57 57 SER CB C 13 64.530 0.119 . 1 . . . . 57 SER CB . 16871 1 710 . 1 1 57 57 SER N N 15 122.370 0.057 . 1 . . . . 57 SER N . 16871 1 711 . 1 1 58 58 LEU H H 1 8.762 0.005 . 1 . . . . 58 LEU H . 16871 1 712 . 1 1 58 58 LEU HA H 1 3.930 0.006 . 1 . . . . 58 LEU HA . 16871 1 713 . 1 1 58 58 LEU HB2 H 1 1.775 0.007 . 2 . . . . 58 LEU HB2 . 16871 1 714 . 1 1 58 58 LEU HB3 H 1 1.380 0.010 . 2 . . . . 58 LEU HB3 . 16871 1 715 . 1 1 58 58 LEU HD11 H 1 0.830 0.002 . 2 . . . . 58 LEU MD1 . 16871 1 716 . 1 1 58 58 LEU HD12 H 1 0.830 0.002 . 2 . . . . 58 LEU MD1 . 16871 1 717 . 1 1 58 58 LEU HD13 H 1 0.830 0.002 . 2 . . . . 58 LEU MD1 . 16871 1 718 . 1 1 58 58 LEU HD21 H 1 0.701 0.002 . 2 . . . . 58 LEU MD2 . 16871 1 719 . 1 1 58 58 LEU HD22 H 1 0.701 0.002 . 2 . . . . 58 LEU MD2 . 16871 1 720 . 1 1 58 58 LEU HD23 H 1 0.701 0.002 . 2 . . . . 58 LEU MD2 . 16871 1 721 . 1 1 58 58 LEU HG H 1 1.445 0.000 . 1 . . . . 58 LEU HG . 16871 1 722 . 1 1 58 58 LEU C C 13 178.631 0.022 . 1 . . . . 58 LEU C . 16871 1 723 . 1 1 58 58 LEU CA C 13 58.204 0.120 . 1 . . . . 58 LEU CA . 16871 1 724 . 1 1 58 58 LEU CB C 13 41.651 0.053 . 1 . . . . 58 LEU CB . 16871 1 725 . 1 1 58 58 LEU CD1 C 13 24.842 0.076 . 2 . . . . 58 LEU CD1 . 16871 1 726 . 1 1 58 58 LEU CD2 C 13 23.591 0.171 . 2 . . . . 58 LEU CD2 . 16871 1 727 . 1 1 58 58 LEU CG C 13 27.235 0.000 . 1 . . . . 58 LEU CG . 16871 1 728 . 1 1 58 58 LEU N N 15 123.445 0.074 . 1 . . . . 58 LEU N . 16871 1 729 . 1 1 59 59 THR H H 1 8.043 0.007 . 1 . . . . 59 THR H . 16871 1 730 . 1 1 59 59 THR HA H 1 3.806 0.006 . 1 . . . . 59 THR HA . 16871 1 731 . 1 1 59 59 THR HB H 1 4.024 0.009 . 1 . . . . 59 THR HB . 16871 1 732 . 1 1 59 59 THR HG21 H 1 1.221 0.007 . 1 . . . . 59 THR MG . 16871 1 733 . 1 1 59 59 THR HG22 H 1 1.221 0.007 . 1 . . . . 59 THR MG . 16871 1 734 . 1 1 59 59 THR HG23 H 1 1.221 0.007 . 1 . . . . 59 THR MG . 16871 1 735 . 1 1 59 59 THR C C 13 176.462 0.047 . 1 . . . . 59 THR C . 16871 1 736 . 1 1 59 59 THR CA C 13 66.382 0.213 . 1 . . . . 59 THR CA . 16871 1 737 . 1 1 59 59 THR CB C 13 68.864 0.388 . 1 . . . . 59 THR CB . 16871 1 738 . 1 1 59 59 THR CG2 C 13 22.359 0.000 . 1 . . . . 59 THR CG2 . 16871 1 739 . 1 1 59 59 THR N N 15 112.034 0.052 . 1 . . . . 59 THR N . 16871 1 740 . 1 1 60 60 ASP H H 1 7.640 0.007 . 1 . . . . 60 ASP H . 16871 1 741 . 1 1 60 60 ASP HA H 1 4.399 0.004 . 1 . . . . 60 ASP HA . 16871 1 742 . 1 1 60 60 ASP HB2 H 1 2.824 0.006 . 2 . . . . 60 ASP HB2 . 16871 1 743 . 1 1 60 60 ASP HB3 H 1 2.632 0.007 . 2 . . . . 60 ASP HB3 . 16871 1 744 . 1 1 60 60 ASP C C 13 178.498 0.000 . 1 . . . . 60 ASP C . 16871 1 745 . 1 1 60 60 ASP CA C 13 57.657 0.136 . 1 . . . . 60 ASP CA . 16871 1 746 . 1 1 60 60 ASP CB C 13 39.545 0.046 . 1 . . . . 60 ASP CB . 16871 1 747 . 1 1 60 60 ASP N N 15 123.485 0.061 . 1 . . . . 60 ASP N . 16871 1 748 . 1 1 61 61 ALA H H 1 8.155 0.005 . 1 . . . . 61 ALA H . 16871 1 749 . 1 1 61 61 ALA HA H 1 4.028 0.005 . 1 . . . . 61 ALA HA . 16871 1 750 . 1 1 61 61 ALA HB1 H 1 1.281 0.004 . 1 . . . . 61 ALA MB . 16871 1 751 . 1 1 61 61 ALA HB2 H 1 1.281 0.004 . 1 . . . . 61 ALA MB . 16871 1 752 . 1 1 61 61 ALA HB3 H 1 1.281 0.004 . 1 . . . . 61 ALA MB . 16871 1 753 . 1 1 61 61 ALA C C 13 178.925 0.007 . 1 . . . . 61 ALA C . 16871 1 754 . 1 1 61 61 ALA CA C 13 55.744 0.125 . 1 . . . . 61 ALA CA . 16871 1 755 . 1 1 61 61 ALA CB C 13 18.407 0.098 . 1 . . . . 61 ALA CB . 16871 1 756 . 1 1 61 61 ALA N N 15 124.622 0.068 . 1 . . . . 61 ALA N . 16871 1 757 . 1 1 62 62 LYS H H 1 8.374 0.005 . 1 . . . . 62 LYS H . 16871 1 758 . 1 1 62 62 LYS HA H 1 3.814 0.005 . 1 . . . . 62 LYS HA . 16871 1 759 . 1 1 62 62 LYS HB2 H 1 1.915 0.005 . 2 . . . . 62 LYS QB . 16871 1 760 . 1 1 62 62 LYS HB3 H 1 1.915 0.005 . 2 . . . . 62 LYS QB . 16871 1 761 . 1 1 62 62 LYS HD2 H 1 1.657 0.004 . 2 . . . . 62 LYS QD . 16871 1 762 . 1 1 62 62 LYS HD3 H 1 1.657 0.004 . 2 . . . . 62 LYS QD . 16871 1 763 . 1 1 62 62 LYS HE2 H 1 2.967 0.000 . 2 . . . . 62 LYS HE2 . 16871 1 764 . 1 1 62 62 LYS HE3 H 1 2.883 0.000 . 2 . . . . 62 LYS HE3 . 16871 1 765 . 1 1 62 62 LYS HG2 H 1 1.658 0.002 . 2 . . . . 62 LYS HG2 . 16871 1 766 . 1 1 62 62 LYS HG3 H 1 1.405 0.000 . 2 . . . . 62 LYS HG3 . 16871 1 767 . 1 1 62 62 LYS C C 13 180.036 0.003 . 1 . . . . 62 LYS C . 16871 1 768 . 1 1 62 62 LYS CA C 13 60.412 0.082 . 1 . . . . 62 LYS CA . 16871 1 769 . 1 1 62 62 LYS CB C 13 32.163 0.058 . 1 . . . . 62 LYS CB . 16871 1 770 . 1 1 62 62 LYS CD C 13 29.831 0.000 . 1 . . . . 62 LYS CD . 16871 1 771 . 1 1 62 62 LYS CE C 13 41.755 0.000 . 1 . . . . 62 LYS CE . 16871 1 772 . 1 1 62 62 LYS CG C 13 25.735 0.000 . 1 . . . . 62 LYS CG . 16871 1 773 . 1 1 62 62 LYS N N 15 116.415 0.042 . 1 . . . . 62 LYS N . 16871 1 774 . 1 1 63 63 THR H H 1 7.985 0.006 . 1 . . . . 63 THR H . 16871 1 775 . 1 1 63 63 THR HA H 1 3.943 0.004 . 1 . . . . 63 THR HA . 16871 1 776 . 1 1 63 63 THR HB H 1 4.328 0.005 . 1 . . . . 63 THR HB . 16871 1 777 . 1 1 63 63 THR HG21 H 1 1.225 0.003 . 1 . . . . 63 THR MG . 16871 1 778 . 1 1 63 63 THR HG22 H 1 1.225 0.003 . 1 . . . . 63 THR MG . 16871 1 779 . 1 1 63 63 THR HG23 H 1 1.225 0.003 . 1 . . . . 63 THR MG . 16871 1 780 . 1 1 63 63 THR C C 13 175.702 0.000 . 1 . . . . 63 THR C . 16871 1 781 . 1 1 63 63 THR CA C 13 66.678 0.172 . 1 . . . . 63 THR CA . 16871 1 782 . 1 1 63 63 THR CB C 13 68.565 0.060 . 1 . . . . 63 THR CB . 16871 1 783 . 1 1 63 63 THR CG2 C 13 21.790 0.000 . 1 . . . . 63 THR CG2 . 16871 1 784 . 1 1 63 63 THR N N 15 117.180 0.055 . 1 . . . . 63 THR N . 16871 1 785 . 1 1 64 64 LEU H H 1 7.664 0.007 . 1 . . . . 64 LEU H . 16871 1 786 . 1 1 64 64 LEU HA H 1 3.931 0.003 . 1 . . . . 64 LEU HA . 16871 1 787 . 1 1 64 64 LEU HB2 H 1 2.041 0.009 . 2 . . . . 64 LEU HB2 . 16871 1 788 . 1 1 64 64 LEU HB3 H 1 1.352 0.005 . 2 . . . . 64 LEU HB3 . 16871 1 789 . 1 1 64 64 LEU HD11 H 1 0.851 0.002 . 2 . . . . 64 LEU MD1 . 16871 1 790 . 1 1 64 64 LEU HD12 H 1 0.851 0.002 . 2 . . . . 64 LEU MD1 . 16871 1 791 . 1 1 64 64 LEU HD13 H 1 0.851 0.002 . 2 . . . . 64 LEU MD1 . 16871 1 792 . 1 1 64 64 LEU HD21 H 1 0.821 0.002 . 2 . . . . 64 LEU MD2 . 16871 1 793 . 1 1 64 64 LEU HD22 H 1 0.821 0.002 . 2 . . . . 64 LEU MD2 . 16871 1 794 . 1 1 64 64 LEU HD23 H 1 0.821 0.002 . 2 . . . . 64 LEU MD2 . 16871 1 795 . 1 1 64 64 LEU HG H 1 1.812 0.000 . 1 . . . . 64 LEU HG . 16871 1 796 . 1 1 64 64 LEU C C 13 180.264 0.006 . 1 . . . . 64 LEU C . 16871 1 797 . 1 1 64 64 LEU CA C 13 58.406 0.075 . 1 . . . . 64 LEU CA . 16871 1 798 . 1 1 64 64 LEU CB C 13 42.048 0.033 . 1 . . . . 64 LEU CB . 16871 1 799 . 1 1 64 64 LEU CD1 C 13 25.602 0.141 . 2 . . . . 64 LEU CD1 . 16871 1 800 . 1 1 64 64 LEU CD2 C 13 23.140 0.048 . 2 . . . . 64 LEU CD2 . 16871 1 801 . 1 1 64 64 LEU CG C 13 26.176 0.000 . 1 . . . . 64 LEU CG . 16871 1 802 . 1 1 64 64 LEU N N 15 120.932 0.061 . 1 . . . . 64 LEU N . 16871 1 803 . 1 1 65 65 ILE H H 1 7.483 0.007 . 1 . . . . 65 ILE H . 16871 1 804 . 1 1 65 65 ILE HA H 1 3.532 0.005 . 1 . . . . 65 ILE HA . 16871 1 805 . 1 1 65 65 ILE HB H 1 2.011 0.000 . 1 . . . . 65 ILE HB . 16871 1 806 . 1 1 65 65 ILE HD11 H 1 0.759 0.000 . 1 . . . . 65 ILE MD . 16871 1 807 . 1 1 65 65 ILE HD12 H 1 0.759 0.000 . 1 . . . . 65 ILE MD . 16871 1 808 . 1 1 65 65 ILE HD13 H 1 0.759 0.000 . 1 . . . . 65 ILE MD . 16871 1 809 . 1 1 65 65 ILE HG12 H 1 1.764 0.005 . 2 . . . . 65 ILE HG12 . 16871 1 810 . 1 1 65 65 ILE HG13 H 1 1.028 0.009 . 2 . . . . 65 ILE HG13 . 16871 1 811 . 1 1 65 65 ILE HG21 H 1 1.006 0.002 . 1 . . . . 65 ILE MG . 16871 1 812 . 1 1 65 65 ILE HG22 H 1 1.006 0.002 . 1 . . . . 65 ILE MG . 16871 1 813 . 1 1 65 65 ILE HG23 H 1 1.006 0.002 . 1 . . . . 65 ILE MG . 16871 1 814 . 1 1 65 65 ILE C C 13 179.302 0.001 . 1 . . . . 65 ILE C . 16871 1 815 . 1 1 65 65 ILE CA C 13 65.451 0.297 . 1 . . . . 65 ILE CA . 16871 1 816 . 1 1 65 65 ILE CB C 13 37.464 0.044 . 1 . . . . 65 ILE CB . 16871 1 817 . 1 1 65 65 ILE CD1 C 13 13.013 0.000 . 1 . . . . 65 ILE CD1 . 16871 1 818 . 1 1 65 65 ILE CG1 C 13 28.393 0.000 . 1 . . . . 65 ILE CG1 . 16871 1 819 . 1 1 65 65 ILE CG2 C 13 17.257 0.000 . 1 . . . . 65 ILE CG2 . 16871 1 820 . 1 1 65 65 ILE N N 15 117.643 0.072 . 1 . . . . 65 ILE N . 16871 1 821 . 1 1 66 66 GLU H H 1 8.235 0.006 . 1 . . . . 66 GLU H . 16871 1 822 . 1 1 66 66 GLU HA H 1 4.149 0.003 . 1 . . . . 66 GLU HA . 16871 1 823 . 1 1 66 66 GLU HB2 H 1 2.205 0.008 . 2 . . . . 66 GLU QB . 16871 1 824 . 1 1 66 66 GLU HB3 H 1 2.205 0.008 . 2 . . . . 66 GLU QB . 16871 1 825 . 1 1 66 66 GLU HG2 H 1 2.460 0.006 . 2 . . . . 66 GLU HG2 . 16871 1 826 . 1 1 66 66 GLU HG3 H 1 2.330 0.007 . 2 . . . . 66 GLU HG3 . 16871 1 827 . 1 1 66 66 GLU C C 13 178.606 0.011 . 1 . . . . 66 GLU C . 16871 1 828 . 1 1 66 66 GLU CA C 13 59.383 0.093 . 1 . . . . 66 GLU CA . 16871 1 829 . 1 1 66 66 GLU CB C 13 29.547 0.104 . 1 . . . . 66 GLU CB . 16871 1 830 . 1 1 66 66 GLU CG C 13 36.205 0.000 . 1 . . . . 66 GLU CG . 16871 1 831 . 1 1 66 66 GLU N N 15 121.417 0.086 . 1 . . . . 66 GLU N . 16871 1 832 . 1 1 67 67 ARG H H 1 7.921 0.005 . 1 . . . . 67 ARG H . 16871 1 833 . 1 1 67 67 ARG HA H 1 4.367 0.005 . 1 . . . . 67 ARG HA . 16871 1 834 . 1 1 67 67 ARG HB2 H 1 2.111 0.014 . 2 . . . . 67 ARG HB2 . 16871 1 835 . 1 1 67 67 ARG HB3 H 1 1.814 0.010 . 2 . . . . 67 ARG HB3 . 16871 1 836 . 1 1 67 67 ARG HD2 H 1 3.137 0.001 . 2 . . . . 67 ARG HD2 . 16871 1 837 . 1 1 67 67 ARG HD3 H 1 3.082 0.002 . 2 . . . . 67 ARG HD3 . 16871 1 838 . 1 1 67 67 ARG HG2 H 1 1.865 0.002 . 2 . . . . 67 ARG HG2 . 16871 1 839 . 1 1 67 67 ARG HG3 H 1 1.738 0.006 . 2 . . . . 67 ARG HG3 . 16871 1 840 . 1 1 67 67 ARG C C 13 176.623 0.008 . 1 . . . . 67 ARG C . 16871 1 841 . 1 1 67 67 ARG CA C 13 56.725 0.029 . 1 . . . . 67 ARG CA . 16871 1 842 . 1 1 67 67 ARG CB C 13 30.324 0.018 . 1 . . . . 67 ARG CB . 16871 1 843 . 1 1 67 67 ARG CD C 13 43.846 0.000 . 1 . . . . 67 ARG CD . 16871 1 844 . 1 1 67 67 ARG CG C 13 27.185 0.000 . 1 . . . . 67 ARG CG . 16871 1 845 . 1 1 67 67 ARG N N 15 115.828 0.068 . 1 . . . . 67 ARG N . 16871 1 846 . 1 1 68 68 SER H H 1 7.470 0.005 . 1 . . . . 68 SER H . 16871 1 847 . 1 1 68 68 SER HA H 1 4.371 0.001 . 1 . . . . 68 SER HA . 16871 1 848 . 1 1 68 68 SER HB2 H 1 4.165 0.011 . 2 . . . . 68 SER HB2 . 16871 1 849 . 1 1 68 68 SER HB3 H 1 4.158 0.000 . 2 . . . . 68 SER HB3 . 16871 1 850 . 1 1 68 68 SER C C 13 174.518 0.000 . 1 . . . . 68 SER C . 16871 1 851 . 1 1 68 68 SER CA C 13 59.743 0.125 . 1 . . . . 68 SER CA . 16871 1 852 . 1 1 68 68 SER CB C 13 63.219 0.195 . 1 . . . . 68 SER CB . 16871 1 853 . 1 1 68 68 SER N N 15 115.577 0.072 . 1 . . . . 68 SER N . 16871 1 854 . 1 1 69 69 LYS H H 1 8.597 0.005 . 1 . . . . 69 LYS H . 16871 1 855 . 1 1 69 69 LYS HA H 1 4.178 0.017 . 1 . . . . 69 LYS HA . 16871 1 856 . 1 1 69 69 LYS HB2 H 1 1.923 0.003 . 2 . . . . 69 LYS HB2 . 16871 1 857 . 1 1 69 69 LYS HB3 H 1 1.875 0.003 . 2 . . . . 69 LYS HB3 . 16871 1 858 . 1 1 69 69 LYS HD2 H 1 1.665 0.000 . 2 . . . . 69 LYS QD . 16871 1 859 . 1 1 69 69 LYS HD3 H 1 1.665 0.000 . 2 . . . . 69 LYS QD . 16871 1 860 . 1 1 69 69 LYS HE2 H 1 2.958 0.000 . 2 . . . . 69 LYS QE . 16871 1 861 . 1 1 69 69 LYS HE3 H 1 2.958 0.000 . 2 . . . . 69 LYS QE . 16871 1 862 . 1 1 69 69 LYS HG2 H 1 1.504 0.009 . 2 . . . . 69 LYS HG2 . 16871 1 863 . 1 1 69 69 LYS HG3 H 1 1.406 0.007 . 2 . . . . 69 LYS HG3 . 16871 1 864 . 1 1 69 69 LYS CA C 13 57.998 0.131 . 1 . . . . 69 LYS CA . 16871 1 865 . 1 1 69 69 LYS CB C 13 32.595 0.022 . 1 . . . . 69 LYS CB . 16871 1 866 . 1 1 69 69 LYS CD C 13 29.185 0.000 . 1 . . . . 69 LYS CD . 16871 1 867 . 1 1 69 69 LYS CE C 13 42.004 0.000 . 1 . . . . 69 LYS CE . 16871 1 868 . 1 1 69 69 LYS CG C 13 24.857 0.000 . 1 . . . . 69 LYS CG . 16871 1 869 . 1 1 69 69 LYS N N 15 123.852 0.086 . 1 . . . . 69 LYS N . 16871 1 870 . 1 1 70 70 GLY H H 1 7.934 0.007 . 1 . . . . 70 GLY H . 16871 1 871 . 1 1 70 70 GLY HA2 H 1 4.125 0.008 . 2 . . . . 70 GLY HA2 . 16871 1 872 . 1 1 70 70 GLY HA3 H 1 3.748 0.002 . 2 . . . . 70 GLY HA3 . 16871 1 873 . 1 1 70 70 GLY CA C 13 46.523 0.028 . 1 . . . . 70 GLY CA . 16871 1 874 . 1 1 70 70 GLY N N 15 114.629 0.084 . 1 . . . . 70 GLY N . 16871 1 875 . 1 1 71 71 LYS H H 1 7.625 0.004 . 1 . . . . 71 LYS H . 16871 1 876 . 1 1 71 71 LYS HA H 1 5.143 0.005 . 1 . . . . 71 LYS HA . 16871 1 877 . 1 1 71 71 LYS HB2 H 1 1.689 0.005 . 2 . . . . 71 LYS QB . 16871 1 878 . 1 1 71 71 LYS HB3 H 1 1.689 0.005 . 2 . . . . 71 LYS QB . 16871 1 879 . 1 1 71 71 LYS HD2 H 1 1.629 0.000 . 2 . . . . 71 LYS QD . 16871 1 880 . 1 1 71 71 LYS HD3 H 1 1.629 0.000 . 2 . . . . 71 LYS QD . 16871 1 881 . 1 1 71 71 LYS HE2 H 1 2.878 0.000 . 2 . . . . 71 LYS QE . 16871 1 882 . 1 1 71 71 LYS HE3 H 1 2.878 0.000 . 2 . . . . 71 LYS QE . 16871 1 883 . 1 1 71 71 LYS HG2 H 1 1.299 0.005 . 2 . . . . 71 LYS QG . 16871 1 884 . 1 1 71 71 LYS HG3 H 1 1.299 0.005 . 2 . . . . 71 LYS QG . 16871 1 885 . 1 1 71 71 LYS C C 13 173.783 0.000 . 1 . . . . 71 LYS C . 16871 1 886 . 1 1 71 71 LYS CA C 13 55.941 0.140 . 1 . . . . 71 LYS CA . 16871 1 887 . 1 1 71 71 LYS CB C 13 35.116 0.065 . 1 . . . . 71 LYS CB . 16871 1 888 . 1 1 71 71 LYS CD C 13 29.704 0.000 . 1 . . . . 71 LYS CD . 16871 1 889 . 1 1 71 71 LYS CE C 13 42.020 0.000 . 1 . . . . 71 LYS CE . 16871 1 890 . 1 1 71 71 LYS CG C 13 24.920 0.000 . 1 . . . . 71 LYS CG . 16871 1 891 . 1 1 71 71 LYS N N 15 120.811 0.038 . 1 . . . . 71 LYS N . 16871 1 892 . 1 1 72 72 LEU H H 1 9.015 0.005 . 1 . . . . 72 LEU H . 16871 1 893 . 1 1 72 72 LEU HA H 1 4.668 0.007 . 1 . . . . 72 LEU HA . 16871 1 894 . 1 1 72 72 LEU HB2 H 1 1.300 0.001 . 2 . . . . 72 LEU HB2 . 16871 1 895 . 1 1 72 72 LEU HB3 H 1 0.822 0.002 . 2 . . . . 72 LEU HB3 . 16871 1 896 . 1 1 72 72 LEU HD11 H 1 0.210 0.006 . 2 . . . . 72 LEU MD1 . 16871 1 897 . 1 1 72 72 LEU HD12 H 1 0.210 0.006 . 2 . . . . 72 LEU MD1 . 16871 1 898 . 1 1 72 72 LEU HD13 H 1 0.210 0.006 . 2 . . . . 72 LEU MD1 . 16871 1 899 . 1 1 72 72 LEU HD21 H 1 0.616 0.005 . 2 . . . . 72 LEU MD2 . 16871 1 900 . 1 1 72 72 LEU HD22 H 1 0.616 0.005 . 2 . . . . 72 LEU MD2 . 16871 1 901 . 1 1 72 72 LEU HD23 H 1 0.616 0.005 . 2 . . . . 72 LEU MD2 . 16871 1 902 . 1 1 72 72 LEU HG H 1 0.990 0.003 . 1 . . . . 72 LEU HG . 16871 1 903 . 1 1 72 72 LEU C C 13 174.062 0.162 . 1 . . . . 72 LEU C . 16871 1 904 . 1 1 72 72 LEU CA C 13 53.777 0.072 . 1 . . . . 72 LEU CA . 16871 1 905 . 1 1 72 72 LEU CB C 13 45.126 0.024 . 1 . . . . 72 LEU CB . 16871 1 906 . 1 1 72 72 LEU CD1 C 13 24.298 0.064 . 2 . . . . 72 LEU CD1 . 16871 1 907 . 1 1 72 72 LEU CD2 C 13 25.575 0.022 . 2 . . . . 72 LEU CD2 . 16871 1 908 . 1 1 72 72 LEU CG C 13 27.375 0.000 . 1 . . . . 72 LEU CG . 16871 1 909 . 1 1 72 72 LEU N N 15 126.704 0.046 . 1 . . . . 72 LEU N . 16871 1 910 . 1 1 73 73 LYS H H 1 8.590 0.006 . 1 . . . . 73 LYS H . 16871 1 911 . 1 1 73 73 LYS HA H 1 5.144 0.005 . 1 . . . . 73 LYS HA . 16871 1 912 . 1 1 73 73 LYS HB2 H 1 1.777 0.006 . 2 . . . . 73 LYS HB2 . 16871 1 913 . 1 1 73 73 LYS HB3 H 1 1.677 0.004 . 2 . . . . 73 LYS HB3 . 16871 1 914 . 1 1 73 73 LYS HD2 H 1 1.609 0.000 . 2 . . . . 73 LYS QD . 16871 1 915 . 1 1 73 73 LYS HD3 H 1 1.609 0.000 . 2 . . . . 73 LYS QD . 16871 1 916 . 1 1 73 73 LYS HE2 H 1 2.838 0.000 . 2 . . . . 73 LYS QE . 16871 1 917 . 1 1 73 73 LYS HE3 H 1 2.838 0.000 . 2 . . . . 73 LYS QE . 16871 1 918 . 1 1 73 73 LYS HG2 H 1 1.384 0.008 . 2 . . . . 73 LYS QG . 16871 1 919 . 1 1 73 73 LYS HG3 H 1 1.384 0.008 . 2 . . . . 73 LYS QG . 16871 1 920 . 1 1 73 73 LYS C C 13 176.272 0.020 . 1 . . . . 73 LYS C . 16871 1 921 . 1 1 73 73 LYS CA C 13 55.063 0.147 . 1 . . . . 73 LYS CA . 16871 1 922 . 1 1 73 73 LYS CB C 13 33.771 0.059 . 1 . . . . 73 LYS CB . 16871 1 923 . 1 1 73 73 LYS CD C 13 29.635 0.000 . 1 . . . . 73 LYS CD . 16871 1 924 . 1 1 73 73 LYS CE C 13 41.942 0.000 . 1 . . . . 73 LYS CE . 16871 1 925 . 1 1 73 73 LYS CG C 13 25.216 0.000 . 1 . . . . 73 LYS CG . 16871 1 926 . 1 1 73 73 LYS N N 15 126.314 0.078 . 1 . . . . 73 LYS N . 16871 1 927 . 1 1 74 74 MET H H 1 9.335 0.006 . 1 . . . . 74 MET H . 16871 1 928 . 1 1 74 74 MET HA H 1 5.202 0.004 . 1 . . . . 74 MET HA . 16871 1 929 . 1 1 74 74 MET HB2 H 1 1.820 0.005 . 2 . . . . 74 MET HB2 . 16871 1 930 . 1 1 74 74 MET HB3 H 1 1.749 0.007 . 2 . . . . 74 MET HB3 . 16871 1 931 . 1 1 74 74 MET HE1 H 1 1.632 0.001 . 1 . . . . 74 MET ME . 16871 1 932 . 1 1 74 74 MET HE2 H 1 1.632 0.001 . 1 . . . . 74 MET ME . 16871 1 933 . 1 1 74 74 MET HE3 H 1 1.632 0.001 . 1 . . . . 74 MET ME . 16871 1 934 . 1 1 74 74 MET HG2 H 1 2.254 0.003 . 2 . . . . 74 MET HG2 . 16871 1 935 . 1 1 74 74 MET HG3 H 1 2.123 0.005 . 2 . . . . 74 MET HG3 . 16871 1 936 . 1 1 74 74 MET C C 13 174.940 0.021 . 1 . . . . 74 MET C . 16871 1 937 . 1 1 74 74 MET CA C 13 53.989 0.236 . 1 . . . . 74 MET CA . 16871 1 938 . 1 1 74 74 MET CB C 13 38.120 0.025 . 1 . . . . 74 MET CB . 16871 1 939 . 1 1 74 74 MET CE C 13 16.942 0.027 . 1 . . . . 74 MET CE . 16871 1 940 . 1 1 74 74 MET CG C 13 32.194 0.000 . 1 . . . . 74 MET CG . 16871 1 941 . 1 1 74 74 MET N N 15 123.427 0.069 . 1 . . . . 74 MET N . 16871 1 942 . 1 1 75 75 VAL H H 1 8.001 0.005 . 1 . . . . 75 VAL H . 16871 1 943 . 1 1 75 75 VAL HA H 1 4.804 0.013 . 1 . . . . 75 VAL HA . 16871 1 944 . 1 1 75 75 VAL HB H 1 1.729 0.004 . 1 . . . . 75 VAL HB . 16871 1 945 . 1 1 75 75 VAL HG11 H 1 0.893 0.000 . 2 . . . . 75 VAL QG . 16871 1 946 . 1 1 75 75 VAL HG12 H 1 0.893 0.000 . 2 . . . . 75 VAL QG . 16871 1 947 . 1 1 75 75 VAL HG13 H 1 0.893 0.000 . 2 . . . . 75 VAL QG . 16871 1 948 . 1 1 75 75 VAL HG21 H 1 0.893 0.000 . 2 . . . . 75 VAL QG . 16871 1 949 . 1 1 75 75 VAL HG22 H 1 0.893 0.000 . 2 . . . . 75 VAL QG . 16871 1 950 . 1 1 75 75 VAL HG23 H 1 0.893 0.000 . 2 . . . . 75 VAL QG . 16871 1 951 . 1 1 75 75 VAL C C 13 175.932 0.000 . 1 . . . . 75 VAL C . 16871 1 952 . 1 1 75 75 VAL CA C 13 62.122 0.095 . 1 . . . . 75 VAL CA . 16871 1 953 . 1 1 75 75 VAL CB C 13 33.452 0.114 . 1 . . . . 75 VAL CB . 16871 1 954 . 1 1 75 75 VAL CG1 C 13 21.354 0.000 . 2 . . . . 75 VAL CG1 . 16871 1 955 . 1 1 75 75 VAL CG2 C 13 21.354 0.000 . 2 . . . . 75 VAL CG2 . 16871 1 956 . 1 1 75 75 VAL N N 15 121.927 0.077 . 1 . . . . 75 VAL N . 16871 1 957 . 1 1 76 76 VAL H H 1 8.865 0.009 . 1 . . . . 76 VAL H . 16871 1 958 . 1 1 76 76 VAL HA H 1 5.357 0.006 . 1 . . . . 76 VAL HA . 16871 1 959 . 1 1 76 76 VAL HB H 1 2.055 0.010 . 1 . . . . 76 VAL HB . 16871 1 960 . 1 1 76 76 VAL HG11 H 1 0.791 0.004 . 2 . . . . 76 VAL MG1 . 16871 1 961 . 1 1 76 76 VAL HG12 H 1 0.791 0.004 . 2 . . . . 76 VAL MG1 . 16871 1 962 . 1 1 76 76 VAL HG13 H 1 0.791 0.004 . 2 . . . . 76 VAL MG1 . 16871 1 963 . 1 1 76 76 VAL HG21 H 1 0.759 0.002 . 2 . . . . 76 VAL MG2 . 16871 1 964 . 1 1 76 76 VAL HG22 H 1 0.759 0.002 . 2 . . . . 76 VAL MG2 . 16871 1 965 . 1 1 76 76 VAL HG23 H 1 0.759 0.002 . 2 . . . . 76 VAL MG2 . 16871 1 966 . 1 1 76 76 VAL C C 13 174.892 0.014 . 1 . . . . 76 VAL C . 16871 1 967 . 1 1 76 76 VAL CA C 13 58.910 0.143 . 1 . . . . 76 VAL CA . 16871 1 968 . 1 1 76 76 VAL CB C 13 35.120 0.059 . 1 . . . . 76 VAL CB . 16871 1 969 . 1 1 76 76 VAL CG1 C 13 21.824 0.000 . 2 . . . . 76 VAL CG1 . 16871 1 970 . 1 1 76 76 VAL CG2 C 13 19.163 0.000 . 2 . . . . 76 VAL CG2 . 16871 1 971 . 1 1 76 76 VAL N N 15 121.207 0.082 . 1 . . . . 76 VAL N . 16871 1 972 . 1 1 77 77 GLN H H 1 8.933 0.009 . 1 . . . . 77 GLN H . 16871 1 973 . 1 1 77 77 GLN HA H 1 4.316 0.009 . 1 . . . . 77 GLN HA . 16871 1 974 . 1 1 77 77 GLN HB2 H 1 1.816 0.000 . 2 . . . . 77 GLN HB2 . 16871 1 975 . 1 1 77 77 GLN HB3 H 1 1.710 0.000 . 2 . . . . 77 GLN HB3 . 16871 1 976 . 1 1 77 77 GLN HE21 H 1 7.456 0.004 . 2 . . . . 77 GLN HE21 . 16871 1 977 . 1 1 77 77 GLN HE22 H 1 6.665 0.004 . 2 . . . . 77 GLN HE22 . 16871 1 978 . 1 1 77 77 GLN HG2 H 1 2.169 0.009 . 2 . . . . 77 GLN QG . 16871 1 979 . 1 1 77 77 GLN HG3 H 1 2.169 0.009 . 2 . . . . 77 GLN QG . 16871 1 980 . 1 1 77 77 GLN C C 13 174.000 0.033 . 1 . . . . 77 GLN C . 16871 1 981 . 1 1 77 77 GLN CA C 13 56.108 0.092 . 1 . . . . 77 GLN CA . 16871 1 982 . 1 1 77 77 GLN CB C 13 31.292 0.143 . 1 . . . . 77 GLN CB . 16871 1 983 . 1 1 77 77 GLN CG C 13 33.794 0.090 . 1 . . . . 77 GLN CG . 16871 1 984 . 1 1 77 77 GLN N N 15 122.332 0.094 . 1 . . . . 77 GLN N . 16871 1 985 . 1 1 77 77 GLN NE2 N 15 110.849 0.181 . 1 . . . . 77 GLN NE2 . 16871 1 986 . 1 1 78 78 ARG H H 1 8.259 0.005 . 1 . . . . 78 ARG H . 16871 1 987 . 1 1 78 78 ARG HA H 1 4.365 0.000 . 1 . . . . 78 ARG HA . 16871 1 988 . 1 1 78 78 ARG HB2 H 1 1.667 0.002 . 2 . . . . 78 ARG QB . 16871 1 989 . 1 1 78 78 ARG HB3 H 1 1.667 0.002 . 2 . . . . 78 ARG QB . 16871 1 990 . 1 1 78 78 ARG HD2 H 1 3.125 0.000 . 2 . . . . 78 ARG QD . 16871 1 991 . 1 1 78 78 ARG HD3 H 1 3.125 0.000 . 2 . . . . 78 ARG QD . 16871 1 992 . 1 1 78 78 ARG C C 13 175.086 0.000 . 1 . . . . 78 ARG C . 16871 1 993 . 1 1 78 78 ARG CA C 13 55.667 0.000 . 1 . . . . 78 ARG CA . 16871 1 994 . 1 1 78 78 ARG CB C 13 31.900 0.112 . 1 . . . . 78 ARG CB . 16871 1 995 . 1 1 78 78 ARG CD C 13 42.809 0.000 . 1 . . . . 78 ARG CD . 16871 1 996 . 1 1 78 78 ARG N N 15 124.150 0.072 . 1 . . . . 78 ARG N . 16871 1 997 . 1 1 79 79 ASP H H 1 8.448 0.005 . 1 . . . . 79 ASP H . 16871 1 998 . 1 1 79 79 ASP HA H 1 4.547 0.005 . 1 . . . . 79 ASP HA . 16871 1 999 . 1 1 79 79 ASP HB2 H 1 2.646 0.001 . 2 . . . . 79 ASP HB2 . 16871 1 1000 . 1 1 79 79 ASP HB3 H 1 2.553 0.000 . 2 . . . . 79 ASP HB3 . 16871 1 1001 . 1 1 79 79 ASP CA C 13 54.369 0.137 . 1 . . . . 79 ASP CA . 16871 1 1002 . 1 1 79 79 ASP CB C 13 41.503 0.214 . 1 . . . . 79 ASP CB . 16871 1 1003 . 1 1 79 79 ASP N N 15 123.150 0.063 . 1 . . . . 79 ASP N . 16871 1 1004 . 1 1 80 80 GLU H H 1 8.416 0.007 . 1 . . . . 80 GLU H . 16871 1 1005 . 1 1 80 80 GLU HA H 1 4.203 0.011 . 1 . . . . 80 GLU HA . 16871 1 1006 . 1 1 80 80 GLU HB2 H 1 1.990 0.005 . 2 . . . . 80 GLU HB2 . 16871 1 1007 . 1 1 80 80 GLU HB3 H 1 1.844 0.001 . 2 . . . . 80 GLU HB3 . 16871 1 1008 . 1 1 80 80 GLU HG2 H 1 2.163 0.002 . 2 . . . . 80 GLU QG . 16871 1 1009 . 1 1 80 80 GLU HG3 H 1 2.163 0.002 . 2 . . . . 80 GLU QG . 16871 1 1010 . 1 1 80 80 GLU C C 13 176.476 0.037 . 1 . . . . 80 GLU C . 16871 1 1011 . 1 1 80 80 GLU CA C 13 56.709 0.042 . 1 . . . . 80 GLU CA . 16871 1 1012 . 1 1 80 80 GLU CB C 13 30.246 0.058 . 1 . . . . 80 GLU CB . 16871 1 1013 . 1 1 80 80 GLU CG C 13 35.911 0.000 . 1 . . . . 80 GLU CG . 16871 1 1014 . 1 1 80 80 GLU N N 15 121.794 0.044 . 1 . . . . 80 GLU N . 16871 1 1015 . 1 1 81 81 LEU H H 1 8.205 0.007 . 1 . . . . 81 LEU H . 16871 1 1016 . 1 1 81 81 LEU HA H 1 4.189 0.005 . 1 . . . . 81 LEU HA . 16871 1 1017 . 1 1 81 81 LEU HB2 H 1 1.541 0.005 . 2 . . . . 81 LEU HB2 . 16871 1 1018 . 1 1 81 81 LEU HB3 H 1 1.406 0.004 . 2 . . . . 81 LEU HB3 . 16871 1 1019 . 1 1 81 81 LEU HD11 H 1 0.811 0.002 . 2 . . . . 81 LEU MD1 . 16871 1 1020 . 1 1 81 81 LEU HD12 H 1 0.811 0.002 . 2 . . . . 81 LEU MD1 . 16871 1 1021 . 1 1 81 81 LEU HD13 H 1 0.811 0.002 . 2 . . . . 81 LEU MD1 . 16871 1 1022 . 1 1 81 81 LEU HD21 H 1 0.753 0.004 . 2 . . . . 81 LEU MD2 . 16871 1 1023 . 1 1 81 81 LEU HD22 H 1 0.753 0.004 . 2 . . . . 81 LEU MD2 . 16871 1 1024 . 1 1 81 81 LEU HD23 H 1 0.753 0.004 . 2 . . . . 81 LEU MD2 . 16871 1 1025 . 1 1 81 81 LEU HG H 1 1.511 0.005 . 1 . . . . 81 LEU HG . 16871 1 1026 . 1 1 81 81 LEU C C 13 177.423 0.010 . 1 . . . . 81 LEU C . 16871 1 1027 . 1 1 81 81 LEU CA C 13 55.602 0.071 . 1 . . . . 81 LEU CA . 16871 1 1028 . 1 1 81 81 LEU CB C 13 42.180 0.087 . 1 . . . . 81 LEU CB . 16871 1 1029 . 1 1 81 81 LEU CD1 C 13 25.016 0.000 . 2 . . . . 81 LEU CD1 . 16871 1 1030 . 1 1 81 81 LEU CD2 C 13 23.631 0.000 . 2 . . . . 81 LEU CD2 . 16871 1 1031 . 1 1 81 81 LEU CG C 13 27.169 0.000 . 1 . . . . 81 LEU CG . 16871 1 1032 . 1 1 81 81 LEU N N 15 121.920 0.049 . 1 . . . . 81 LEU N . 16871 1 1033 . 1 1 82 82 GLU H H 1 8.173 0.006 . 1 . . . . 82 GLU H . 16871 1 1034 . 1 1 82 82 GLU HA H 1 4.092 0.003 . 1 . . . . 82 GLU HA . 16871 1 1035 . 1 1 82 82 GLU HB2 H 1 1.836 0.005 . 2 . . . . 82 GLU QB . 16871 1 1036 . 1 1 82 82 GLU HB3 H 1 1.836 0.005 . 2 . . . . 82 GLU QB . 16871 1 1037 . 1 1 82 82 GLU HG2 H 1 2.130 0.007 . 2 . . . . 82 GLU HG2 . 16871 1 1038 . 1 1 82 82 GLU HG3 H 1 2.062 0.002 . 2 . . . . 82 GLU HG3 . 16871 1 1039 . 1 1 82 82 GLU C C 13 176.297 0.000 . 1 . . . . 82 GLU C . 16871 1 1040 . 1 1 82 82 GLU CA C 13 56.929 0.120 . 1 . . . . 82 GLU CA . 16871 1 1041 . 1 1 82 82 GLU CB C 13 30.180 0.039 . 1 . . . . 82 GLU CB . 16871 1 1042 . 1 1 82 82 GLU CG C 13 36.170 0.000 . 1 . . . . 82 GLU CG . 16871 1 1043 . 1 1 82 82 GLU N N 15 120.351 0.055 . 1 . . . . 82 GLU N . 16871 1 stop_ save_