data_15843 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15843 _Entry.Title ; Solution NMR Structure of the N-Terminal Domain of Protein ECA1580 from Erwinia carotovora, Northeast Structural Genomics Consortium Target EwR156A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-06-30 _Entry.Accession_date 2008-06-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jeffrey Mills . L. . 15843 2 Alex Eletsky . . . 15843 3 Qi Zhang . . . 15843 4 Dan Lee . . . 15843 5 Mei Jiang . . . 15843 6 Colleen Ciccosanti . . . 15843 7 Rong Xiao . . . 15843 8 Jinfeng Lui . . . 15843 9 John Everett . K. . 15843 10 'G. V. T.' Swapna . . . 15843 11 Thomas Acton . B. . 15843 12 Burkhard Rost . . . 15843 13 Gaetano Montelione . T. . 15843 14 Thomas Szyperski . . . 15843 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 15843 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'cold shock protein' . 15843 'GFT NMR' . 15843 NESGC . 15843 'OB fold' . 15843 'protein structure' . 15843 PSI . 15843 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15843 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 297 15843 '15N chemical shifts' 70 15843 '1H chemical shifts' 487 15843 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-06-02 2008-06-30 update BMRB 'edit assembly name' 15843 1 . . 2009-02-11 2008-06-30 original author 'original release' 15843 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K5N 'BMRB Entry Tracking System' 15843 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15843 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR Structure of the Putative Cold Shock Protein from Erwinia carotovora: Northeast Structural Genomics Consortium Target EwR156a' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jeffrey Mills . L. . 15843 1 2 Alex Eletsky . . . 15843 1 3 Qi Zhang . . . 15843 1 4 Dan Lee . . . 15843 1 5 Mei Jiang . . . 15843 1 6 Colleen Ciccosanti . . . 15843 1 7 Rong Xiao . . . 15843 1 8 Jinfeng Lui . . . 15843 1 9 John Everett . K. . 15843 1 10 'G. V. T.' Swapna . . . 15843 1 11 Thomas Acton . B. . 15843 1 12 Burkhard Rost . . . 15843 1 13 Gaetano Montelione . T. . 15843 1 14 Thomas Szyperski . . . 15843 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15843 _Assembly.ID 1 _Assembly.Name ECA1580 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 NC 1 $NC A . yes native no no . . . 15843 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NC _Entity.Sf_category entity _Entity.Sf_framecode NC _Entity.Entry_ID 15843 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NC _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAMNGTITTWFKDKGFGFIK DENGDNRYFHVIKVANPDLI KKDAAVTFEPTTNNKGLSAY AVKVVPLEHHHHHH ; _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 74 _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 8417.637 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details '100% U-15N, 13C labeled sample' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2K5N . "Solution Nmr Structure Of The N-Terminal Domain Of Protein Eca1580 From Erwinia Carotovora, Northeast Structural Genomics Conso" . . . . . 100.00 74 100.00 100.00 5.01e-46 . . . . 15843 1 2 no PDB 2N49 . "Ec-nmr Structure Of Erwinia Carotovora Eca1580 N-terminal Domain Determined By Combining Evolutionary Couplings (ec) And Sparse" . . . . . 100.00 74 100.00 100.00 5.01e-46 . . . . 15843 1 3 no DBJ BAH64001 . "cold shock protein E [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 89.19 160 96.97 100.00 2.29e-39 . . . . 15843 1 4 no DBJ BAS34842 . "cold-shock protein [Klebsiella pneumoniae]" . . . . . 89.19 160 96.97 100.00 1.36e-39 . . . . 15843 1 5 no DBJ GAJ89345 . "hypothetical protein EAM01S_12_00580 [Erwinia amylovora NBRC 12687]" . . . . . 89.19 160 96.97 98.48 2.55e-38 . . . . 15843 1 6 no DBJ GAL47698 . "hypothetical protein CIFAM_02_00140 [Citrobacter farmeri GTC 1319]" . . . . . 89.19 160 98.48 100.00 2.97e-39 . . . . 15843 1 7 no EMBL CAG74485 . "putative cold-shock protein [Pectobacterium atrosepticum SCRI1043]" . . . . . 89.19 160 100.00 100.00 4.02e-40 . . . . 15843 1 8 no EMBL CBA21960 . "Cold shock-like protein cspLA (CspL) [Erwinia amylovora CFBP1430]" . . . . . 89.19 160 96.97 98.48 2.55e-38 . . . . 15843 1 9 no EMBL CBJ47128 . "putative cold shock protein [Erwinia amylovora ATCC 49946]" . . . . . 89.19 160 96.97 98.48 2.55e-38 . . . . 15843 1 10 no EMBL CBX81442 . "Cold shock-like protein cspLA (CspL) [Erwinia amylovora ATCC BAA-2158]" . . . . . 89.19 160 96.97 98.48 2.55e-38 . . . . 15843 1 11 no EMBL CCC32705 . "conserved hypothetical protein [Salmonella bongori NCTC 12419]" . . . . . 89.19 162 96.97 100.00 2.53e-39 . . . . 15843 1 12 no GB ABR77705 . "cold shock protein E [Klebsiella pneumoniae subsp. pneumoniae MGH 78578]" . . . . . 89.19 160 96.97 100.00 2.29e-39 . . . . 15843 1 13 no GB ACI09512 . "cold-shock DNA-binding domain protein [Klebsiella pneumoniae 342]" . . . . . 89.19 160 96.97 100.00 2.70e-39 . . . . 15843 1 14 no GB ACT12508 . "cold-shock DNA-binding domain protein [Pectobacterium carotovorum subsp. carotovorum PC1]" . . . . . 89.19 160 96.97 100.00 6.07e-39 . . . . 15843 1 15 no GB ACX88619 . "cold-shock DNA-binding domain protein [Pectobacterium wasabiae WPP163]" . . . . . 89.19 160 100.00 100.00 4.24e-40 . . . . 15843 1 16 no GB ADC57825 . "cold-shock DNA-binding domain protein [Klebsiella variicola At-22]" . . . . . 89.19 160 96.97 100.00 2.70e-39 . . . . 15843 1 17 no REF WP_001251236 . "cold-shock protein [Salmonella bongori]" . . . . . 89.19 160 96.97 100.00 2.50e-39 . . . . 15843 1 18 no REF WP_002910657 . "MULTISPECIES: cold-shock protein [Enterobacteriaceae]" . . . . . 89.19 160 96.97 100.00 2.29e-39 . . . . 15843 1 19 no REF WP_004090082 . "MULTISPECIES: cold-shock protein [Enterobacteriaceae]" . . . . . 89.19 160 98.48 100.00 7.86e-40 . . . . 15843 1 20 no REF WP_004102404 . "cold-shock protein [Klebsiella oxytoca]" . . . . . 89.19 160 96.97 100.00 7.78e-39 . . . . 15843 1 21 no REF WP_004159066 . "cold-shock protein [Erwinia amylovora]" . . . . . 89.19 160 96.97 98.48 2.55e-38 . . . . 15843 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15843 1 2 . ALA . 15843 1 3 . MET . 15843 1 4 . ASN . 15843 1 5 . GLY . 15843 1 6 . THR . 15843 1 7 . ILE . 15843 1 8 . THR . 15843 1 9 . THR . 15843 1 10 . TRP . 15843 1 11 . PHE . 15843 1 12 . LYS . 15843 1 13 . ASP . 15843 1 14 . LYS . 15843 1 15 . GLY . 15843 1 16 . PHE . 15843 1 17 . GLY . 15843 1 18 . PHE . 15843 1 19 . ILE . 15843 1 20 . LYS . 15843 1 21 . ASP . 15843 1 22 . GLU . 15843 1 23 . ASN . 15843 1 24 . GLY . 15843 1 25 . ASP . 15843 1 26 . ASN . 15843 1 27 . ARG . 15843 1 28 . TYR . 15843 1 29 . PHE . 15843 1 30 . HIS . 15843 1 31 . VAL . 15843 1 32 . ILE . 15843 1 33 . LYS . 15843 1 34 . VAL . 15843 1 35 . ALA . 15843 1 36 . ASN . 15843 1 37 . PRO . 15843 1 38 . ASP . 15843 1 39 . LEU . 15843 1 40 . ILE . 15843 1 41 . LYS . 15843 1 42 . LYS . 15843 1 43 . ASP . 15843 1 44 . ALA . 15843 1 45 . ALA . 15843 1 46 . VAL . 15843 1 47 . THR . 15843 1 48 . PHE . 15843 1 49 . GLU . 15843 1 50 . PRO . 15843 1 51 . THR . 15843 1 52 . THR . 15843 1 53 . ASN . 15843 1 54 . ASN . 15843 1 55 . LYS . 15843 1 56 . GLY . 15843 1 57 . LEU . 15843 1 58 . SER . 15843 1 59 . ALA . 15843 1 60 . TYR . 15843 1 61 . ALA . 15843 1 62 . VAL . 15843 1 63 . LYS . 15843 1 64 . VAL . 15843 1 65 . VAL . 15843 1 66 . PRO . 15843 1 67 . LEU . 15843 1 68 . GLU . 15843 1 69 . HIS . 15843 1 70 . HIS . 15843 1 71 . HIS . 15843 1 72 . HIS . 15843 1 73 . HIS . 15843 1 74 . HIS . 15843 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15843 1 . ALA 2 2 15843 1 . MET 3 3 15843 1 . ASN 4 4 15843 1 . GLY 5 5 15843 1 . THR 6 6 15843 1 . ILE 7 7 15843 1 . THR 8 8 15843 1 . THR 9 9 15843 1 . TRP 10 10 15843 1 . PHE 11 11 15843 1 . LYS 12 12 15843 1 . ASP 13 13 15843 1 . LYS 14 14 15843 1 . GLY 15 15 15843 1 . PHE 16 16 15843 1 . GLY 17 17 15843 1 . PHE 18 18 15843 1 . ILE 19 19 15843 1 . LYS 20 20 15843 1 . ASP 21 21 15843 1 . GLU 22 22 15843 1 . ASN 23 23 15843 1 . GLY 24 24 15843 1 . ASP 25 25 15843 1 . ASN 26 26 15843 1 . ARG 27 27 15843 1 . TYR 28 28 15843 1 . PHE 29 29 15843 1 . HIS 30 30 15843 1 . VAL 31 31 15843 1 . ILE 32 32 15843 1 . LYS 33 33 15843 1 . VAL 34 34 15843 1 . ALA 35 35 15843 1 . ASN 36 36 15843 1 . PRO 37 37 15843 1 . ASP 38 38 15843 1 . LEU 39 39 15843 1 . ILE 40 40 15843 1 . LYS 41 41 15843 1 . LYS 42 42 15843 1 . ASP 43 43 15843 1 . ALA 44 44 15843 1 . ALA 45 45 15843 1 . VAL 46 46 15843 1 . THR 47 47 15843 1 . PHE 48 48 15843 1 . GLU 49 49 15843 1 . PRO 50 50 15843 1 . THR 51 51 15843 1 . THR 52 52 15843 1 . ASN 53 53 15843 1 . ASN 54 54 15843 1 . LYS 55 55 15843 1 . GLY 56 56 15843 1 . LEU 57 57 15843 1 . SER 58 58 15843 1 . ALA 59 59 15843 1 . TYR 60 60 15843 1 . ALA 61 61 15843 1 . VAL 62 62 15843 1 . LYS 63 63 15843 1 . VAL 64 64 15843 1 . VAL 65 65 15843 1 . PRO 66 66 15843 1 . LEU 67 67 15843 1 . GLU 68 68 15843 1 . HIS 69 69 15843 1 . HIS 70 70 15843 1 . HIS 71 71 15843 1 . HIS 72 72 15843 1 . HIS 73 73 15843 1 . HIS 74 74 15843 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 15843 _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 $NC . 554 organism . 'Erwinia carotovora' 'Erwinia carotovora' . . Bacteria . Erwinia carotovora . . . . . . . . . . . . . . . . . . . . . 15843 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 15843 _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 $NC . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET 21-23C' . . . . . . 15843 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15843 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NC '[U-100% 13C; U-100% 15N]' . . 1 $NC . . 1.07 . . mM . . . . 15843 1 2 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15843 1 3 DTT 'natural abundance' . . . . . . 100 . . mM . . . . 15843 1 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 15843 1 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15843 1 6 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15843 1 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15843 1 8 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 15843 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15843 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NC5 '[U-5% 13C; U-100% 15N]' . . 1 $NC . . 1.864 . . mM . . . . 15843 2 2 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15843 2 3 DTT 'natural abundance' . . . . . . 100 . . mM . . . . 15843 2 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 15843 2 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15843 2 6 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15843 2 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15843 2 8 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 15843 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15843 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.235 . M 15843 1 pH 6.5 . pH 15843 1 pressure 1 . atm 15843 1 temperature 298 . K 15843 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 15843 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15843 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15843 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15843 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15843 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15843 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 15843 _Software.ID 3 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15843 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15843 3 stop_ save_ save_SPSCAN _Software.Sf_category software _Software.Sf_framecode SPSCAN _Software.Entry_ID 15843 _Software.ID 4 _Software.Name SPSCAN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Glaser . . 15843 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15843 4 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15843 _Software.ID 5 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 15843 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15843 5 'data analysis' 15843 5 'peak picking' 15843 5 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 15843 _Software.ID 6 _Software.Name AutoAssign _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 15843 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15843 6 'data analysis' 15843 6 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15843 _Software.ID 7 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15843 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15843 7 stop_ save_ save_CSI _Software.Sf_category software _Software.Sf_framecode CSI _Software.Entry_ID 15843 _Software.ID 8 _Software.Name CSI _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(CSI) Wishart and Sykes' . . 15843 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15843 8 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15843 _Software.ID 9 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15843 9 'Herrmann, Guntert and Wuthrich' . . 15843 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15843 9 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 15843 _Software.ID 10 _Software.Name AutoStruct _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 15843 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15843 10 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 15843 _Software.ID 11 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 15843 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15843 11 refinement 15843 11 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 15843 _Software.ID 12 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 15843 12 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15843 12 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15843 _Software.ID 13 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15843 13 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15843 13 'structure solution' 15843 13 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 15843 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15843 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 750 . . . 15843 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 15843 _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 . . . . . . . . . . . . . . . . 15843 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15843 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15843 1 4 '4,3 D GFT HNNACBCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15843 1 5 '4,3 D GFT CABCACONHN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15843 1 6 '4,3D HABCABCONHN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15843 1 7 '4,3D GFT HCCH COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15843 1 8 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15843 1 9 '3D simultaneous NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15843 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15843 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 15843 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15843 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15843 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15843 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 15843 _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 9 '3D simultaneous NOESY' . . . 15843 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 5 $XEASY . . 15843 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 2 2 ALA HA H 1 3.908 0.020 . 1 . . . . 2 ALA HA . 15843 1 2 . 1 1 2 2 ALA HB1 H 1 1.296 0.020 . 1 . . . . 2 ALA HB . 15843 1 3 . 1 1 2 2 ALA HB2 H 1 1.296 0.020 . 1 . . . . 2 ALA HB . 15843 1 4 . 1 1 2 2 ALA HB3 H 1 1.296 0.020 . 1 . . . . 2 ALA HB . 15843 1 5 . 1 1 2 2 ALA C C 13 174.665 0.400 . 1 . . . . 2 ALA C . 15843 1 6 . 1 1 2 2 ALA CA C 13 51.696 0.400 . 1 . . . . 2 ALA CA . 15843 1 7 . 1 1 2 2 ALA CB C 13 19.380 0.400 . 1 . . . . 2 ALA CB . 15843 1 8 . 1 1 3 3 MET H H 1 8.516 0.020 . 1 . . . . 3 MET H . 15843 1 9 . 1 1 3 3 MET HA H 1 4.349 0.020 . 1 . . . . 3 MET HA . 15843 1 10 . 1 1 3 3 MET HB2 H 1 0.816 0.020 . 1 . . . . 3 MET HB2 . 15843 1 11 . 1 1 3 3 MET HB3 H 1 1.538 0.020 . 1 . . . . 3 MET HB3 . 15843 1 12 . 1 1 3 3 MET HE1 H 1 2.134 0.020 . 1 . . . . 3 MET HE . 15843 1 13 . 1 1 3 3 MET HE2 H 1 2.134 0.020 . 1 . . . . 3 MET HE . 15843 1 14 . 1 1 3 3 MET HE3 H 1 2.134 0.020 . 1 . . . . 3 MET HE . 15843 1 15 . 1 1 3 3 MET HG2 H 1 2.382 0.020 . 2 . . . . 3 MET HG2 . 15843 1 16 . 1 1 3 3 MET HG3 H 1 2.228 0.020 . 2 . . . . 3 MET HG3 . 15843 1 17 . 1 1 3 3 MET C C 13 173.119 0.400 . 1 . . . . 3 MET C . 15843 1 18 . 1 1 3 3 MET CA C 13 54.457 0.400 . 1 . . . . 3 MET CA . 15843 1 19 . 1 1 3 3 MET CB C 13 37.020 0.400 . 1 . . . . 3 MET CB . 15843 1 20 . 1 1 3 3 MET CE C 13 17.081 0.400 . 1 . . . . 3 MET CE . 15843 1 21 . 1 1 3 3 MET CG C 13 32.422 0.400 . 1 . . . . 3 MET CG . 15843 1 22 . 1 1 3 3 MET N N 15 118.958 0.400 . 1 . . . . 3 MET N . 15843 1 23 . 1 1 4 4 ASN H H 1 8.627 0.020 . 1 . . . . 4 ASN H . 15843 1 24 . 1 1 4 4 ASN HA H 1 5.470 0.020 . 1 . . . . 4 ASN HA . 15843 1 25 . 1 1 4 4 ASN HB2 H 1 2.792 0.020 . 2 . . . . 4 ASN HB2 . 15843 1 26 . 1 1 4 4 ASN HB3 H 1 2.633 0.020 . 2 . . . . 4 ASN HB3 . 15843 1 27 . 1 1 4 4 ASN HD21 H 1 7.637 0.020 . 2 . . . . 4 ASN HD21 . 15843 1 28 . 1 1 4 4 ASN HD22 H 1 6.796 0.020 . 2 . . . . 4 ASN HD22 . 15843 1 29 . 1 1 4 4 ASN C C 13 175.782 0.400 . 1 . . . . 4 ASN C . 15843 1 30 . 1 1 4 4 ASN CA C 13 52.043 0.400 . 1 . . . . 4 ASN CA . 15843 1 31 . 1 1 4 4 ASN CB C 13 41.102 0.400 . 1 . . . . 4 ASN CB . 15843 1 32 . 1 1 4 4 ASN N N 15 116.608 0.400 . 1 . . . . 4 ASN N . 15843 1 33 . 1 1 4 4 ASN ND2 N 15 114.438 0.400 . 1 . . . . 4 ASN ND2 . 15843 1 34 . 1 1 5 5 GLY H H 1 8.444 0.020 . 1 . . . . 5 GLY H . 15843 1 35 . 1 1 5 5 GLY HA2 H 1 4.652 0.020 . 2 . . . . 5 GLY HA2 . 15843 1 36 . 1 1 5 5 GLY HA3 H 1 3.710 0.020 . 2 . . . . 5 GLY HA3 . 15843 1 37 . 1 1 5 5 GLY C C 13 171.487 0.400 . 1 . . . . 5 GLY C . 15843 1 38 . 1 1 5 5 GLY CA C 13 46.682 0.400 . 1 . . . . 5 GLY CA . 15843 1 39 . 1 1 5 5 GLY N N 15 104.747 0.400 . 1 . . . . 5 GLY N . 15843 1 40 . 1 1 6 6 THR H H 1 8.303 0.020 . 1 . . . . 6 THR H . 15843 1 41 . 1 1 6 6 THR HA H 1 5.193 0.020 . 1 . . . . 6 THR HA . 15843 1 42 . 1 1 6 6 THR HB H 1 3.766 0.020 . 1 . . . . 6 THR HB . 15843 1 43 . 1 1 6 6 THR HG21 H 1 1.074 0.020 . 1 . . . . 6 THR HG2 . 15843 1 44 . 1 1 6 6 THR HG22 H 1 1.074 0.020 . 1 . . . . 6 THR HG2 . 15843 1 45 . 1 1 6 6 THR HG23 H 1 1.074 0.020 . 1 . . . . 6 THR HG2 . 15843 1 46 . 1 1 6 6 THR C C 13 173.634 0.400 . 1 . . . . 6 THR C . 15843 1 47 . 1 1 6 6 THR CA C 13 60.367 0.400 . 1 . . . . 6 THR CA . 15843 1 48 . 1 1 6 6 THR CB C 13 72.071 0.400 . 1 . . . . 6 THR CB . 15843 1 49 . 1 1 6 6 THR CG2 C 13 21.440 0.400 . 1 . . . . 6 THR CG2 . 15843 1 50 . 1 1 6 6 THR N N 15 114.893 0.400 . 1 . . . . 6 THR N . 15843 1 51 . 1 1 7 7 ILE H H 1 8.887 0.020 . 1 . . . . 7 ILE H . 15843 1 52 . 1 1 7 7 ILE HA H 1 4.189 0.020 . 1 . . . . 7 ILE HA . 15843 1 53 . 1 1 7 7 ILE HB H 1 2.038 0.020 . 1 . . . . 7 ILE HB . 15843 1 54 . 1 1 7 7 ILE HD11 H 1 0.370 0.020 . 1 . . . . 7 ILE HD1 . 15843 1 55 . 1 1 7 7 ILE HD12 H 1 0.370 0.020 . 1 . . . . 7 ILE HD1 . 15843 1 56 . 1 1 7 7 ILE HD13 H 1 0.370 0.020 . 1 . . . . 7 ILE HD1 . 15843 1 57 . 1 1 7 7 ILE HG12 H 1 1.427 0.020 . 2 . . . . 7 ILE HG12 . 15843 1 58 . 1 1 7 7 ILE HG13 H 1 0.521 0.020 . 2 . . . . 7 ILE HG13 . 15843 1 59 . 1 1 7 7 ILE HG21 H 1 0.786 0.020 . 1 . . . . 7 ILE HG2 . 15843 1 60 . 1 1 7 7 ILE HG22 H 1 0.786 0.020 . 1 . . . . 7 ILE HG2 . 15843 1 61 . 1 1 7 7 ILE HG23 H 1 0.786 0.020 . 1 . . . . 7 ILE HG2 . 15843 1 62 . 1 1 7 7 ILE C C 13 175.782 0.400 . 1 . . . . 7 ILE C . 15843 1 63 . 1 1 7 7 ILE CA C 13 62.394 0.400 . 1 . . . . 7 ILE CA . 15843 1 64 . 1 1 7 7 ILE CB C 13 37.461 0.400 . 1 . . . . 7 ILE CB . 15843 1 65 . 1 1 7 7 ILE CD1 C 13 13.580 0.400 . 1 . . . . 7 ILE CD1 . 15843 1 66 . 1 1 7 7 ILE CG1 C 13 27.144 0.400 . 1 . . . . 7 ILE CG1 . 15843 1 67 . 1 1 7 7 ILE CG2 C 13 17.081 0.400 . 1 . . . . 7 ILE CG2 . 15843 1 68 . 1 1 7 7 ILE N N 15 125.014 0.400 . 1 . . . . 7 ILE N . 15843 1 69 . 1 1 8 8 THR H H 1 8.968 0.020 . 1 . . . . 8 THR H . 15843 1 70 . 1 1 8 8 THR HA H 1 4.583 0.020 . 1 . . . . 8 THR HA . 15843 1 71 . 1 1 8 8 THR HB H 1 4.199 0.020 . 1 . . . . 8 THR HB . 15843 1 72 . 1 1 8 8 THR HG21 H 1 1.261 0.020 . 1 . . . . 8 THR HG2 . 15843 1 73 . 1 1 8 8 THR HG22 H 1 1.261 0.020 . 1 . . . . 8 THR HG2 . 15843 1 74 . 1 1 8 8 THR HG23 H 1 1.261 0.020 . 1 . . . . 8 THR HG2 . 15843 1 75 . 1 1 8 8 THR C C 13 175.352 0.400 . 1 . . . . 8 THR C . 15843 1 76 . 1 1 8 8 THR CA C 13 62.547 0.400 . 1 . . . . 8 THR CA . 15843 1 77 . 1 1 8 8 THR CB C 13 69.324 0.400 . 1 . . . . 8 THR CB . 15843 1 78 . 1 1 8 8 THR CG2 C 13 23.218 0.400 . 1 . . . . 8 THR CG2 . 15843 1 79 . 1 1 8 8 THR N N 15 123.264 0.400 . 1 . . . . 8 THR N . 15843 1 80 . 1 1 9 9 THR H H 1 7.744 0.020 . 1 . . . . 9 THR H . 15843 1 81 . 1 1 9 9 THR HA H 1 4.408 0.020 . 1 . . . . 9 THR HA . 15843 1 82 . 1 1 9 9 THR HB H 1 3.930 0.020 . 1 . . . . 9 THR HB . 15843 1 83 . 1 1 9 9 THR HG21 H 1 0.934 0.020 . 1 . . . . 9 THR HG2 . 15843 1 84 . 1 1 9 9 THR HG22 H 1 0.934 0.020 . 1 . . . . 9 THR HG2 . 15843 1 85 . 1 1 9 9 THR HG23 H 1 0.934 0.020 . 1 . . . . 9 THR HG2 . 15843 1 86 . 1 1 9 9 THR C C 13 171.759 0.400 . 1 . . . . 9 THR C . 15843 1 87 . 1 1 9 9 THR CA C 13 61.370 0.400 . 1 . . . . 9 THR CA . 15843 1 88 . 1 1 9 9 THR CB C 13 72.472 0.400 . 1 . . . . 9 THR CB . 15843 1 89 . 1 1 9 9 THR CG2 C 13 22.777 0.400 . 1 . . . . 9 THR CG2 . 15843 1 90 . 1 1 9 9 THR N N 15 116.608 0.400 . 1 . . . . 9 THR N . 15843 1 91 . 1 1 10 10 TRP H H 1 8.620 0.020 . 1 . . . . 10 TRP H . 15843 1 92 . 1 1 10 10 TRP HA H 1 4.844 0.020 . 1 . . . . 10 TRP HA . 15843 1 93 . 1 1 10 10 TRP HB2 H 1 2.877 0.020 . 1 . . . . 10 TRP HB2 . 15843 1 94 . 1 1 10 10 TRP HB3 H 1 2.674 0.020 . 1 . . . . 10 TRP HB3 . 15843 1 95 . 1 1 10 10 TRP HD1 H 1 6.994 0.020 . 1 . . . . 10 TRP HD1 . 15843 1 96 . 1 1 10 10 TRP HE1 H 1 9.967 0.020 . 1 . . . . 10 TRP HE1 . 15843 1 97 . 1 1 10 10 TRP HE3 H 1 6.840 0.020 . 1 . . . . 10 TRP HE3 . 15843 1 98 . 1 1 10 10 TRP HH2 H 1 6.733 0.020 . 1 . . . . 10 TRP HH2 . 15843 1 99 . 1 1 10 10 TRP HZ2 H 1 7.338 0.020 . 1 . . . . 10 TRP HZ2 . 15843 1 100 . 1 1 10 10 TRP HZ3 H 1 5.931 0.020 . 1 . . . . 10 TRP HZ3 . 15843 1 101 . 1 1 10 10 TRP C C 13 172.833 0.400 . 1 . . . . 10 TRP C . 15843 1 102 . 1 1 10 10 TRP CA C 13 55.471 0.400 . 1 . . . . 10 TRP CA . 15843 1 103 . 1 1 10 10 TRP CB C 13 32.843 0.400 . 1 . . . . 10 TRP CB . 15843 1 104 . 1 1 10 10 TRP CD1 C 13 126.878 0.400 . 1 . . . . 10 TRP CD1 . 15843 1 105 . 1 1 10 10 TRP CE3 C 13 121.267 0.400 . 1 . . . . 10 TRP CE3 . 15843 1 106 . 1 1 10 10 TRP CH2 C 13 123.569 0.400 . 1 . . . . 10 TRP CH2 . 15843 1 107 . 1 1 10 10 TRP CZ2 C 13 113.835 0.400 . 1 . . . . 10 TRP CZ2 . 15843 1 108 . 1 1 10 10 TRP CZ3 C 13 120.602 0.400 . 1 . . . . 10 TRP CZ3 . 15843 1 109 . 1 1 10 10 TRP N N 15 126.095 0.400 . 1 . . . . 10 TRP N . 15843 1 110 . 1 1 10 10 TRP NE1 N 15 127.909 0.400 . 1 . . . . 10 TRP NE1 . 15843 1 111 . 1 1 11 11 PHE H H 1 7.892 0.020 . 1 . . . . 11 PHE H . 15843 1 112 . 1 1 11 11 PHE HA H 1 4.508 0.020 . 1 . . . . 11 PHE HA . 15843 1 113 . 1 1 11 11 PHE HB2 H 1 2.258 0.020 . 2 . . . . 11 PHE HB2 . 15843 1 114 . 1 1 11 11 PHE HB3 H 1 2.567 0.020 . 2 . . . . 11 PHE HB3 . 15843 1 115 . 1 1 11 11 PHE HD1 H 1 6.570 0.020 . 1 . . . . 11 PHE HD1 . 15843 1 116 . 1 1 11 11 PHE HD2 H 1 6.570 0.020 . 1 . . . . 11 PHE HD2 . 15843 1 117 . 1 1 11 11 PHE HE1 H 1 7.246 0.020 . 1 . . . . 11 PHE HE1 . 15843 1 118 . 1 1 11 11 PHE HE2 H 1 7.246 0.020 . 1 . . . . 11 PHE HE2 . 15843 1 119 . 1 1 11 11 PHE HZ H 1 6.794 0.020 . 1 . . . . 11 PHE HZ . 15843 1 120 . 1 1 11 11 PHE C C 13 174.493 0.400 . 1 . . . . 11 PHE C . 15843 1 121 . 1 1 11 11 PHE CA C 13 54.001 0.400 . 1 . . . . 11 PHE CA . 15843 1 122 . 1 1 11 11 PHE CB C 13 36.906 0.400 . 1 . . . . 11 PHE CB . 15843 1 123 . 1 1 11 11 PHE CD1 C 13 131.704 0.400 . 1 . . . . 11 PHE CD1 . 15843 1 124 . 1 1 11 11 PHE CE1 C 13 130.480 0.400 . 1 . . . . 11 PHE CE1 . 15843 1 125 . 1 1 11 11 PHE CZ C 13 130.779 0.400 . 1 . . . . 11 PHE CZ . 15843 1 126 . 1 1 11 11 PHE N N 15 127.953 0.400 . 1 . . . . 11 PHE N . 15843 1 127 . 1 1 12 12 LYS H H 1 7.844 0.020 . 1 . . . . 12 LYS H . 15843 1 128 . 1 1 12 12 LYS HA H 1 2.844 0.020 . 1 . . . . 12 LYS HA . 15843 1 129 . 1 1 12 12 LYS HB2 H 1 1.630 0.020 . 2 . . . . 12 LYS HB2 . 15843 1 130 . 1 1 12 12 LYS HB3 H 1 1.554 0.020 . 2 . . . . 12 LYS HB3 . 15843 1 131 . 1 1 12 12 LYS HD2 H 1 1.621 0.020 . 2 . . . . 12 LYS HD2 . 15843 1 132 . 1 1 12 12 LYS HD3 H 1 1.624 0.020 . 2 . . . . 12 LYS HD3 . 15843 1 133 . 1 1 12 12 LYS HE2 H 1 2.803 0.020 . 2 . . . . 12 LYS HE2 . 15843 1 134 . 1 1 12 12 LYS HE3 H 1 2.806 0.020 . 2 . . . . 12 LYS HE3 . 15843 1 135 . 1 1 12 12 LYS HG2 H 1 1.421 0.020 . 2 . . . . 12 LYS HG2 . 15843 1 136 . 1 1 12 12 LYS HG3 H 1 1.336 0.020 . 2 . . . . 12 LYS HG3 . 15843 1 137 . 1 1 12 12 LYS C C 13 177.701 0.400 . 1 . . . . 12 LYS C . 15843 1 138 . 1 1 12 12 LYS CA C 13 59.164 0.400 . 1 . . . . 12 LYS CA . 15843 1 139 . 1 1 12 12 LYS CB C 13 32.427 0.400 . 1 . . . . 12 LYS CB . 15843 1 140 . 1 1 12 12 LYS CD C 13 28.514 0.400 . 1 . . . . 12 LYS CD . 15843 1 141 . 1 1 12 12 LYS CE C 13 42.030 0.400 . 1 . . . . 12 LYS CE . 15843 1 142 . 1 1 12 12 LYS CG C 13 24.150 0.400 . 1 . . . . 12 LYS CG . 15843 1 143 . 1 1 12 12 LYS N N 15 125.042 0.400 . 1 . . . . 12 LYS N . 15843 1 144 . 1 1 13 13 ASP H H 1 8.638 0.020 . 1 . . . . 13 ASP H . 15843 1 145 . 1 1 13 13 ASP HA H 1 4.281 0.020 . 1 . . . . 13 ASP HA . 15843 1 146 . 1 1 13 13 ASP HB2 H 1 2.662 0.020 . 2 . . . . 13 ASP HB2 . 15843 1 147 . 1 1 13 13 ASP HB3 H 1 2.566 0.020 . 2 . . . . 13 ASP HB3 . 15843 1 148 . 1 1 13 13 ASP C C 13 176.827 0.400 . 1 . . . . 13 ASP C . 15843 1 149 . 1 1 13 13 ASP CA C 13 55.401 0.400 . 1 . . . . 13 ASP CA . 15843 1 150 . 1 1 13 13 ASP CB C 13 39.349 0.400 . 1 . . . . 13 ASP CB . 15843 1 151 . 1 1 13 13 ASP N N 15 114.668 0.400 . 1 . . . . 13 ASP N . 15843 1 152 . 1 1 14 14 LYS H H 1 6.965 0.020 . 1 . . . . 14 LYS H . 15843 1 153 . 1 1 14 14 LYS HA H 1 4.425 0.020 . 1 . . . . 14 LYS HA . 15843 1 154 . 1 1 14 14 LYS HB2 H 1 1.313 0.020 . 2 . . . . 14 LYS HB2 . 15843 1 155 . 1 1 14 14 LYS HB3 H 1 2.128 0.020 . 2 . . . . 14 LYS HB3 . 15843 1 156 . 1 1 14 14 LYS HD2 H 1 1.610 0.020 . 2 . . . . 14 LYS HD2 . 15843 1 157 . 1 1 14 14 LYS HD3 H 1 1.610 0.020 . 2 . . . . 14 LYS HD3 . 15843 1 158 . 1 1 14 14 LYS HE2 H 1 2.930 0.020 . 2 . . . . 14 LYS HE2 . 15843 1 159 . 1 1 14 14 LYS HE3 H 1 2.930 0.020 . 2 . . . . 14 LYS HE3 . 15843 1 160 . 1 1 14 14 LYS HG2 H 1 1.380 0.020 . 2 . . . . 14 LYS HG2 . 15843 1 161 . 1 1 14 14 LYS HG3 H 1 1.370 0.020 . 2 . . . . 14 LYS HG3 . 15843 1 162 . 1 1 14 14 LYS C C 13 176.913 0.400 . 1 . . . . 14 LYS C . 15843 1 163 . 1 1 14 14 LYS CA C 13 55.288 0.400 . 1 . . . . 14 LYS CA . 15843 1 164 . 1 1 14 14 LYS CB C 13 34.562 0.400 . 1 . . . . 14 LYS CB . 15843 1 165 . 1 1 14 14 LYS CD C 13 28.780 0.400 . 1 . . . . 14 LYS CD . 15843 1 166 . 1 1 14 14 LYS CE C 13 41.780 0.400 . 1 . . . . 14 LYS CE . 15843 1 167 . 1 1 14 14 LYS CG C 13 24.910 0.400 . 1 . . . . 14 LYS CG . 15843 1 168 . 1 1 14 14 LYS N N 15 116.507 0.400 . 1 . . . . 14 LYS N . 15843 1 169 . 1 1 15 15 GLY H H 1 7.619 0.020 . 1 . . . . 15 GLY H . 15843 1 170 . 1 1 15 15 GLY HA2 H 1 3.875 0.020 . 2 . . . . 15 GLY HA2 . 15843 1 171 . 1 1 15 15 GLY HA3 H 1 3.499 0.020 . 2 . . . . 15 GLY HA3 . 15843 1 172 . 1 1 15 15 GLY C C 13 171.358 0.400 . 1 . . . . 15 GLY C . 15843 1 173 . 1 1 15 15 GLY CA C 13 46.020 0.400 . 1 . . . . 15 GLY CA . 15843 1 174 . 1 1 15 15 GLY N N 15 107.093 0.400 . 1 . . . . 15 GLY N . 15843 1 175 . 1 1 16 16 PHE H H 1 6.663 0.020 . 1 . . . . 16 PHE H . 15843 1 176 . 1 1 16 16 PHE HA H 1 4.866 0.020 . 1 . . . . 16 PHE HA . 15843 1 177 . 1 1 16 16 PHE HB2 H 1 2.669 0.020 . 2 . . . . 16 PHE HB2 . 15843 1 178 . 1 1 16 16 PHE HB3 H 1 2.974 0.020 . 2 . . . . 16 PHE HB3 . 15843 1 179 . 1 1 16 16 PHE HD1 H 1 6.795 0.020 . 1 . . . . 16 PHE HD1 . 15843 1 180 . 1 1 16 16 PHE HD2 H 1 6.795 0.020 . 1 . . . . 16 PHE HD2 . 15843 1 181 . 1 1 16 16 PHE HE1 H 1 7.253 0.020 . 1 . . . . 16 PHE HE1 . 15843 1 182 . 1 1 16 16 PHE HE2 H 1 7.253 0.020 . 1 . . . . 16 PHE HE2 . 15843 1 183 . 1 1 16 16 PHE C C 13 171.472 0.400 . 1 . . . . 16 PHE C . 15843 1 184 . 1 1 16 16 PHE CA C 13 54.765 0.400 . 1 . . . . 16 PHE CA . 15843 1 185 . 1 1 16 16 PHE CB C 13 41.805 0.400 . 1 . . . . 16 PHE CB . 15843 1 186 . 1 1 16 16 PHE CD1 C 13 132.419 0.400 . 1 . . . . 16 PHE CD1 . 15843 1 187 . 1 1 16 16 PHE CE1 C 13 130.480 0.400 . 1 . . . . 16 PHE CE1 . 15843 1 188 . 1 1 16 16 PHE N N 15 112.369 0.400 . 1 . . . . 16 PHE N . 15843 1 189 . 1 1 17 17 GLY H H 1 7.436 0.020 . 1 . . . . 17 GLY H . 15843 1 190 . 1 1 17 17 GLY HA2 H 1 3.951 0.020 . 2 . . . . 17 GLY HA2 . 15843 1 191 . 1 1 17 17 GLY HA3 H 1 3.399 0.020 . 2 . . . . 17 GLY HA3 . 15843 1 192 . 1 1 17 17 GLY C C 13 169.926 0.400 . 1 . . . . 17 GLY C . 15843 1 193 . 1 1 17 17 GLY CA C 13 45.073 0.400 . 1 . . . . 17 GLY CA . 15843 1 194 . 1 1 17 17 GLY N N 15 105.719 0.400 . 1 . . . . 17 GLY N . 15843 1 195 . 1 1 18 18 PHE H H 1 8.505 0.020 . 1 . . . . 18 PHE H . 15843 1 196 . 1 1 18 18 PHE HA H 1 5.728 0.020 . 1 . . . . 18 PHE HA . 15843 1 197 . 1 1 18 18 PHE HB2 H 1 2.651 0.020 . 1 . . . . 18 PHE HB2 . 15843 1 198 . 1 1 18 18 PHE HB3 H 1 3.061 0.020 . 1 . . . . 18 PHE HB3 . 15843 1 199 . 1 1 18 18 PHE HD1 H 1 7.070 0.020 . 1 . . . . 18 PHE HD1 . 15843 1 200 . 1 1 18 18 PHE HD2 H 1 7.070 0.020 . 1 . . . . 18 PHE HD2 . 15843 1 201 . 1 1 18 18 PHE HE1 H 1 7.675 0.020 . 1 . . . . 18 PHE HE1 . 15843 1 202 . 1 1 18 18 PHE HE2 H 1 7.675 0.020 . 1 . . . . 18 PHE HE2 . 15843 1 203 . 1 1 18 18 PHE HZ H 1 7.254 0.020 . 1 . . . . 18 PHE HZ . 15843 1 204 . 1 1 18 18 PHE C C 13 175.023 0.400 . 1 . . . . 18 PHE C . 15843 1 205 . 1 1 18 18 PHE CA C 13 56.493 0.400 . 1 . . . . 18 PHE CA . 15843 1 206 . 1 1 18 18 PHE CB C 13 43.783 0.400 . 1 . . . . 18 PHE CB . 15843 1 207 . 1 1 18 18 PHE CD1 C 13 131.380 0.400 . 1 . . . . 18 PHE CD1 . 15843 1 208 . 1 1 18 18 PHE CE1 C 13 131.306 0.400 . 1 . . . . 18 PHE CE1 . 15843 1 209 . 1 1 18 18 PHE CZ C 13 130.903 0.400 . 1 . . . . 18 PHE CZ . 15843 1 210 . 1 1 18 18 PHE N N 15 113.767 0.400 . 1 . . . . 18 PHE N . 15843 1 211 . 1 1 19 19 ILE H H 1 9.615 0.020 . 1 . . . . 19 ILE H . 15843 1 212 . 1 1 19 19 ILE HA H 1 4.679 0.020 . 1 . . . . 19 ILE HA . 15843 1 213 . 1 1 19 19 ILE HB H 1 1.011 0.020 . 1 . . . . 19 ILE HB . 15843 1 214 . 1 1 19 19 ILE HD11 H 1 -0.334 0.020 . 1 . . . . 19 ILE HD1 . 15843 1 215 . 1 1 19 19 ILE HD12 H 1 -0.334 0.020 . 1 . . . . 19 ILE HD1 . 15843 1 216 . 1 1 19 19 ILE HD13 H 1 -0.334 0.020 . 1 . . . . 19 ILE HD1 . 15843 1 217 . 1 1 19 19 ILE HG12 H 1 1.392 0.020 . 2 . . . . 19 ILE HG12 . 15843 1 218 . 1 1 19 19 ILE HG13 H 1 0.189 0.020 . 2 . . . . 19 ILE HG13 . 15843 1 219 . 1 1 19 19 ILE HG21 H 1 0.280 0.020 . 1 . . . . 19 ILE HG2 . 15843 1 220 . 1 1 19 19 ILE HG22 H 1 0.280 0.020 . 1 . . . . 19 ILE HG2 . 15843 1 221 . 1 1 19 19 ILE HG23 H 1 0.280 0.020 . 1 . . . . 19 ILE HG2 . 15843 1 222 . 1 1 19 19 ILE C C 13 174.894 0.400 . 1 . . . . 19 ILE C . 15843 1 223 . 1 1 19 19 ILE CA C 13 58.585 0.400 . 1 . . . . 19 ILE CA . 15843 1 224 . 1 1 19 19 ILE CB C 13 43.854 0.400 . 1 . . . . 19 ILE CB . 15843 1 225 . 1 1 19 19 ILE CD1 C 13 13.944 0.400 . 1 . . . . 19 ILE CD1 . 15843 1 226 . 1 1 19 19 ILE CG1 C 13 28.416 0.400 . 1 . . . . 19 ILE CG1 . 15843 1 227 . 1 1 19 19 ILE CG2 C 13 16.766 0.400 . 1 . . . . 19 ILE CG2 . 15843 1 228 . 1 1 19 19 ILE N N 15 122.746 0.400 . 1 . . . . 19 ILE N . 15843 1 229 . 1 1 20 20 LYS H H 1 8.971 0.020 . 1 . . . . 20 LYS H . 15843 1 230 . 1 1 20 20 LYS HA H 1 5.241 0.020 . 1 . . . . 20 LYS HA . 15843 1 231 . 1 1 20 20 LYS HB2 H 1 1.739 0.020 . 2 . . . . 20 LYS HB2 . 15843 1 232 . 1 1 20 20 LYS HB3 H 1 1.748 0.020 . 2 . . . . 20 LYS HB3 . 15843 1 233 . 1 1 20 20 LYS HD2 H 1 1.682 0.020 . 2 . . . . 20 LYS HD2 . 15843 1 234 . 1 1 20 20 LYS HD3 H 1 1.681 0.020 . 2 . . . . 20 LYS HD3 . 15843 1 235 . 1 1 20 20 LYS HE2 H 1 2.964 0.020 . 2 . . . . 20 LYS HE2 . 15843 1 236 . 1 1 20 20 LYS HE3 H 1 2.969 0.020 . 2 . . . . 20 LYS HE3 . 15843 1 237 . 1 1 20 20 LYS HG2 H 1 1.380 0.020 . 2 . . . . 20 LYS HG2 . 15843 1 238 . 1 1 20 20 LYS HG3 H 1 1.370 0.020 . 2 . . . . 20 LYS HG3 . 15843 1 239 . 1 1 20 20 LYS C C 13 177.413 0.400 . 1 . . . . 20 LYS C . 15843 1 240 . 1 1 20 20 LYS CA C 13 54.622 0.400 . 1 . . . . 20 LYS CA . 15843 1 241 . 1 1 20 20 LYS CB C 13 33.070 0.400 . 1 . . . . 20 LYS CB . 15843 1 242 . 1 1 20 20 LYS CD C 13 28.780 0.400 . 1 . . . . 20 LYS CD . 15843 1 243 . 1 1 20 20 LYS CE C 13 41.780 0.400 . 1 . . . . 20 LYS CE . 15843 1 244 . 1 1 20 20 LYS CG C 13 24.910 0.400 . 1 . . . . 20 LYS CG . 15843 1 245 . 1 1 20 20 LYS N N 15 127.450 0.400 . 1 . . . . 20 LYS N . 15843 1 246 . 1 1 21 21 ASP H H 1 9.363 0.020 . 1 . . . . 21 ASP H . 15843 1 247 . 1 1 21 21 ASP HA H 1 5.241 0.020 . 1 . . . . 21 ASP HA . 15843 1 248 . 1 1 21 21 ASP HB2 H 1 3.641 0.020 . 1 . . . . 21 ASP HB2 . 15843 1 249 . 1 1 21 21 ASP HB3 H 1 2.600 0.020 . 1 . . . . 21 ASP HB3 . 15843 1 250 . 1 1 21 21 ASP C C 13 178.431 0.400 . 1 . . . . 21 ASP C . 15843 1 251 . 1 1 21 21 ASP CA C 13 52.981 0.400 . 1 . . . . 21 ASP CA . 15843 1 252 . 1 1 21 21 ASP CB C 13 44.583 0.400 . 1 . . . . 21 ASP CB . 15843 1 253 . 1 1 21 21 ASP N N 15 129.797 0.400 . 1 . . . . 21 ASP N . 15843 1 254 . 1 1 22 22 GLU H H 1 8.127 0.020 . 1 . . . . 22 GLU H . 15843 1 255 . 1 1 22 22 GLU HA H 1 4.264 0.020 . 1 . . . . 22 GLU HA . 15843 1 256 . 1 1 22 22 GLU HB2 H 1 2.253 0.020 . 2 . . . . 22 GLU HB2 . 15843 1 257 . 1 1 22 22 GLU HB3 H 1 2.130 0.020 . 2 . . . . 22 GLU HB3 . 15843 1 258 . 1 1 22 22 GLU HG2 H 1 2.351 0.020 . 2 . . . . 22 GLU HG2 . 15843 1 259 . 1 1 22 22 GLU HG3 H 1 2.253 0.020 . 2 . . . . 22 GLU HG3 . 15843 1 260 . 1 1 22 22 GLU C C 13 176.226 0.400 . 1 . . . . 22 GLU C . 15843 1 261 . 1 1 22 22 GLU CA C 13 57.515 0.400 . 1 . . . . 22 GLU CA . 15843 1 262 . 1 1 22 22 GLU CB C 13 29.830 0.400 . 1 . . . . 22 GLU CB . 15843 1 263 . 1 1 22 22 GLU CG C 13 36.010 0.400 . 1 . . . . 22 GLU CG . 15843 1 264 . 1 1 22 22 GLU N N 15 115.545 0.400 . 1 . . . . 22 GLU N . 15843 1 265 . 1 1 23 23 ASN H H 1 8.606 0.020 . 1 . . . . 23 ASN H . 15843 1 266 . 1 1 23 23 ASN HA H 1 4.963 0.020 . 1 . . . . 23 ASN HA . 15843 1 267 . 1 1 23 23 ASN HB2 H 1 3.011 0.020 . 2 . . . . 23 ASN HB2 . 15843 1 268 . 1 1 23 23 ASN HB3 H 1 3.006 0.020 . 2 . . . . 23 ASN HB3 . 15843 1 269 . 1 1 23 23 ASN HD21 H 1 8.011 0.020 . 1 . . . . 23 ASN HD21 . 15843 1 270 . 1 1 23 23 ASN HD22 H 1 7.050 0.020 . 1 . . . . 23 ASN HD22 . 15843 1 271 . 1 1 23 23 ASN C C 13 175.582 0.400 . 1 . . . . 23 ASN C . 15843 1 272 . 1 1 23 23 ASN CA C 13 52.968 0.400 . 1 . . . . 23 ASN CA . 15843 1 273 . 1 1 23 23 ASN CB C 13 39.172 0.400 . 1 . . . . 23 ASN CB . 15843 1 274 . 1 1 23 23 ASN N N 15 118.707 0.400 . 1 . . . . 23 ASN N . 15843 1 275 . 1 1 23 23 ASN ND2 N 15 114.653 0.400 . 1 . . . . 23 ASN ND2 . 15843 1 276 . 1 1 24 24 GLY H H 1 8.451 0.020 . 1 . . . . 24 GLY H . 15843 1 277 . 1 1 24 24 GLY HA2 H 1 4.323 0.020 . 2 . . . . 24 GLY HA2 . 15843 1 278 . 1 1 24 24 GLY HA3 H 1 3.484 0.020 . 2 . . . . 24 GLY HA3 . 15843 1 279 . 1 1 24 24 GLY C C 13 174.121 0.400 . 1 . . . . 24 GLY C . 15843 1 280 . 1 1 24 24 GLY CA C 13 44.816 0.400 . 1 . . . . 24 GLY CA . 15843 1 281 . 1 1 24 24 GLY N N 15 108.999 0.400 . 1 . . . . 24 GLY N . 15843 1 282 . 1 1 25 25 ASP H H 1 8.326 0.020 . 1 . . . . 25 ASP H . 15843 1 283 . 1 1 25 25 ASP HA H 1 4.792 0.020 . 1 . . . . 25 ASP HA . 15843 1 284 . 1 1 25 25 ASP HB2 H 1 3.070 0.020 . 1 . . . . 25 ASP HB2 . 15843 1 285 . 1 1 25 25 ASP HB3 H 1 2.342 0.020 . 1 . . . . 25 ASP HB3 . 15843 1 286 . 1 1 25 25 ASP C C 13 173.047 0.400 . 1 . . . . 25 ASP C . 15843 1 287 . 1 1 25 25 ASP CA C 13 54.677 0.400 . 1 . . . . 25 ASP CA . 15843 1 288 . 1 1 25 25 ASP CB C 13 41.577 0.400 . 1 . . . . 25 ASP CB . 15843 1 289 . 1 1 25 25 ASP N N 15 121.814 0.400 . 1 . . . . 25 ASP N . 15843 1 290 . 1 1 26 26 ASN H H 1 8.503 0.020 . 1 . . . . 26 ASN H . 15843 1 291 . 1 1 26 26 ASN HA H 1 5.607 0.020 . 1 . . . . 26 ASN HA . 15843 1 292 . 1 1 26 26 ASN HB2 H 1 2.711 0.020 . 2 . . . . 26 ASN HB2 . 15843 1 293 . 1 1 26 26 ASN HB3 H 1 2.529 0.020 . 2 . . . . 26 ASN HB3 . 15843 1 294 . 1 1 26 26 ASN HD21 H 1 7.461 0.020 . 2 . . . . 26 ASN HD21 . 15843 1 295 . 1 1 26 26 ASN HD22 H 1 6.347 0.020 . 2 . . . . 26 ASN HD22 . 15843 1 296 . 1 1 26 26 ASN C C 13 175.496 0.400 . 1 . . . . 26 ASN C . 15843 1 297 . 1 1 26 26 ASN CA C 13 52.290 0.400 . 1 . . . . 26 ASN CA . 15843 1 298 . 1 1 26 26 ASN CB C 13 40.017 0.400 . 1 . . . . 26 ASN CB . 15843 1 299 . 1 1 26 26 ASN N N 15 119.224 0.400 . 1 . . . . 26 ASN N . 15843 1 300 . 1 1 26 26 ASN ND2 N 15 112.760 0.400 . 1 . . . . 26 ASN ND2 . 15843 1 301 . 1 1 27 27 ARG H H 1 9.884 0.020 . 1 . . . . 27 ARG H . 15843 1 302 . 1 1 27 27 ARG HA H 1 4.720 0.020 . 1 . . . . 27 ARG HA . 15843 1 303 . 1 1 27 27 ARG HB2 H 1 1.206 0.020 . 1 . . . . 27 ARG HB2 . 15843 1 304 . 1 1 27 27 ARG HB3 H 1 1.058 0.020 . 1 . . . . 27 ARG HB3 . 15843 1 305 . 1 1 27 27 ARG HD2 H 1 3.062 0.020 . 2 . . . . 27 ARG HD2 . 15843 1 306 . 1 1 27 27 ARG HD3 H 1 3.060 0.020 . 2 . . . . 27 ARG HD3 . 15843 1 307 . 1 1 27 27 ARG HG2 H 1 1.414 0.020 . 2 . . . . 27 ARG HG2 . 15843 1 308 . 1 1 27 27 ARG HG3 H 1 1.375 0.020 . 2 . . . . 27 ARG HG3 . 15843 1 309 . 1 1 27 27 ARG C C 13 174.665 0.400 . 1 . . . . 27 ARG C . 15843 1 310 . 1 1 27 27 ARG CA C 13 54.314 0.400 . 1 . . . . 27 ARG CA . 15843 1 311 . 1 1 27 27 ARG CB C 13 33.562 0.400 . 1 . . . . 27 ARG CB . 15843 1 312 . 1 1 27 27 ARG CD C 13 44.417 0.400 . 1 . . . . 27 ARG CD . 15843 1 313 . 1 1 27 27 ARG CG C 13 29.120 0.400 . 1 . . . . 27 ARG CG . 15843 1 314 . 1 1 27 27 ARG N N 15 122.242 0.400 . 1 . . . . 27 ARG N . 15843 1 315 . 1 1 28 28 TYR H H 1 8.314 0.020 . 1 . . . . 28 TYR H . 15843 1 316 . 1 1 28 28 TYR HA H 1 4.365 0.020 . 1 . . . . 28 TYR HA . 15843 1 317 . 1 1 28 28 TYR HB2 H 1 2.743 0.020 . 2 . . . . 28 TYR HB2 . 15843 1 318 . 1 1 28 28 TYR HB3 H 1 3.205 0.020 . 2 . . . . 28 TYR HB3 . 15843 1 319 . 1 1 28 28 TYR HD1 H 1 6.791 0.020 . 1 . . . . 28 TYR HD1 . 15843 1 320 . 1 1 28 28 TYR HD2 H 1 6.791 0.020 . 1 . . . . 28 TYR HD2 . 15843 1 321 . 1 1 28 28 TYR HE1 H 1 6.318 0.020 . 1 . . . . 28 TYR HE1 . 15843 1 322 . 1 1 28 28 TYR HE2 H 1 6.318 0.020 . 1 . . . . 28 TYR HE2 . 15843 1 323 . 1 1 28 28 TYR C C 13 174.765 0.400 . 1 . . . . 28 TYR C . 15843 1 324 . 1 1 28 28 TYR CA C 13 58.102 0.400 . 1 . . . . 28 TYR CA . 15843 1 325 . 1 1 28 28 TYR CB C 13 39.606 0.400 . 1 . . . . 28 TYR CB . 15843 1 326 . 1 1 28 28 TYR CD1 C 13 132.530 0.400 . 1 . . . . 28 TYR CD1 . 15843 1 327 . 1 1 28 28 TYR CE1 C 13 117.810 0.400 . 1 . . . . 28 TYR CE1 . 15843 1 328 . 1 1 28 28 TYR N N 15 126.908 0.400 . 1 . . . . 28 TYR N . 15843 1 329 . 1 1 29 29 PHE H H 1 7.873 0.020 . 1 . . . . 29 PHE H . 15843 1 330 . 1 1 29 29 PHE HA H 1 5.159 0.020 . 1 . . . . 29 PHE HA . 15843 1 331 . 1 1 29 29 PHE HB2 H 1 2.606 0.020 . 2 . . . . 29 PHE HB2 . 15843 1 332 . 1 1 29 29 PHE HB3 H 1 2.569 0.020 . 2 . . . . 29 PHE HB3 . 15843 1 333 . 1 1 29 29 PHE HD1 H 1 6.587 0.020 . 1 . . . . 29 PHE HD1 . 15843 1 334 . 1 1 29 29 PHE HD2 H 1 6.587 0.020 . 1 . . . . 29 PHE HD2 . 15843 1 335 . 1 1 29 29 PHE HE1 H 1 6.778 0.020 . 1 . . . . 29 PHE HE1 . 15843 1 336 . 1 1 29 29 PHE HE2 H 1 6.778 0.020 . 1 . . . . 29 PHE HE2 . 15843 1 337 . 1 1 29 29 PHE HZ H 1 6.795 0.020 . 1 . . . . 29 PHE HZ . 15843 1 338 . 1 1 29 29 PHE C C 13 169.840 0.400 . 1 . . . . 29 PHE C . 15843 1 339 . 1 1 29 29 PHE CA C 13 56.025 0.400 . 1 . . . . 29 PHE CA . 15843 1 340 . 1 1 29 29 PHE CB C 13 42.454 0.400 . 1 . . . . 29 PHE CB . 15843 1 341 . 1 1 29 29 PHE CD1 C 13 131.937 0.400 . 1 . . . . 29 PHE CD1 . 15843 1 342 . 1 1 29 29 PHE CE1 C 13 129.363 0.400 . 1 . . . . 29 PHE CE1 . 15843 1 343 . 1 1 29 29 PHE CZ C 13 129.415 0.400 . 1 . . . . 29 PHE CZ . 15843 1 344 . 1 1 29 29 PHE N N 15 124.137 0.400 . 1 . . . . 29 PHE N . 15843 1 345 . 1 1 30 30 HIS H H 1 8.255 0.020 . 1 . . . . 30 HIS H . 15843 1 346 . 1 1 30 30 HIS HA H 1 4.819 0.020 . 1 . . . . 30 HIS HA . 15843 1 347 . 1 1 30 30 HIS HB2 H 1 3.157 0.020 . 1 . . . . 30 HIS HB2 . 15843 1 348 . 1 1 30 30 HIS HB3 H 1 2.976 0.020 . 1 . . . . 30 HIS HB3 . 15843 1 349 . 1 1 30 30 HIS HD2 H 1 6.316 0.020 . 1 . . . . 30 HIS HD2 . 15843 1 350 . 1 1 30 30 HIS HE1 H 1 7.897 0.020 . 1 . . . . 30 HIS HE1 . 15843 1 351 . 1 1 30 30 HIS C C 13 176.598 0.400 . 1 . . . . 30 HIS C . 15843 1 352 . 1 1 30 30 HIS CA C 13 55.040 0.400 . 1 . . . . 30 HIS CA . 15843 1 353 . 1 1 30 30 HIS CB C 13 35.066 0.400 . 1 . . . . 30 HIS CB . 15843 1 354 . 1 1 30 30 HIS CD2 C 13 117.915 0.400 . 1 . . . . 30 HIS CD2 . 15843 1 355 . 1 1 30 30 HIS CE1 C 13 138.281 0.400 . 1 . . . . 30 HIS CE1 . 15843 1 356 . 1 1 30 30 HIS N N 15 119.922 0.400 . 1 . . . . 30 HIS N . 15843 1 357 . 1 1 31 31 VAL H H 1 8.390 0.020 . 1 . . . . 31 VAL H . 15843 1 358 . 1 1 31 31 VAL HA H 1 3.911 0.020 . 1 . . . . 31 VAL HA . 15843 1 359 . 1 1 31 31 VAL HB H 1 2.139 0.020 . 1 . . . . 31 VAL HB . 15843 1 360 . 1 1 31 31 VAL HG11 H 1 1.111 0.020 . 1 . . . . 31 VAL HG1 . 15843 1 361 . 1 1 31 31 VAL HG12 H 1 1.111 0.020 . 1 . . . . 31 VAL HG1 . 15843 1 362 . 1 1 31 31 VAL HG13 H 1 1.111 0.020 . 1 . . . . 31 VAL HG1 . 15843 1 363 . 1 1 31 31 VAL HG21 H 1 1.171 0.020 . 1 . . . . 31 VAL HG2 . 15843 1 364 . 1 1 31 31 VAL HG22 H 1 1.171 0.020 . 1 . . . . 31 VAL HG2 . 15843 1 365 . 1 1 31 31 VAL HG23 H 1 1.171 0.020 . 1 . . . . 31 VAL HG2 . 15843 1 366 . 1 1 31 31 VAL C C 13 176.713 0.400 . 1 . . . . 31 VAL C . 15843 1 367 . 1 1 31 31 VAL CA C 13 65.423 0.400 . 1 . . . . 31 VAL CA . 15843 1 368 . 1 1 31 31 VAL CB C 13 32.354 0.400 . 1 . . . . 31 VAL CB . 15843 1 369 . 1 1 31 31 VAL CG1 C 13 19.501 0.400 . 1 . . . . 31 VAL CG1 . 15843 1 370 . 1 1 31 31 VAL CG2 C 13 22.700 0.400 . 1 . . . . 31 VAL CG2 . 15843 1 371 . 1 1 31 31 VAL N N 15 126.977 0.400 . 1 . . . . 31 VAL N . 15843 1 372 . 1 1 32 32 ILE H H 1 10.207 0.020 . 1 . . . . 32 ILE H . 15843 1 373 . 1 1 32 32 ILE HA H 1 4.397 0.020 . 1 . . . . 32 ILE HA . 15843 1 374 . 1 1 32 32 ILE HB H 1 2.223 0.020 . 1 . . . . 32 ILE HB . 15843 1 375 . 1 1 32 32 ILE HD11 H 1 0.940 0.020 . 1 . . . . 32 ILE HD1 . 15843 1 376 . 1 1 32 32 ILE HD12 H 1 0.940 0.020 . 1 . . . . 32 ILE HD1 . 15843 1 377 . 1 1 32 32 ILE HD13 H 1 0.940 0.020 . 1 . . . . 32 ILE HD1 . 15843 1 378 . 1 1 32 32 ILE HG12 H 1 1.618 0.020 . 2 . . . . 32 ILE HG12 . 15843 1 379 . 1 1 32 32 ILE HG13 H 1 1.573 0.020 . 2 . . . . 32 ILE HG13 . 15843 1 380 . 1 1 32 32 ILE HG21 H 1 1.127 0.020 . 1 . . . . 32 ILE HG2 . 15843 1 381 . 1 1 32 32 ILE HG22 H 1 1.127 0.020 . 1 . . . . 32 ILE HG2 . 15843 1 382 . 1 1 32 32 ILE HG23 H 1 1.127 0.020 . 1 . . . . 32 ILE HG2 . 15843 1 383 . 1 1 32 32 ILE C C 13 177.414 0.400 . 1 . . . . 32 ILE C . 15843 1 384 . 1 1 32 32 ILE CA C 13 63.601 0.400 . 1 . . . . 32 ILE CA . 15843 1 385 . 1 1 32 32 ILE CB C 13 38.023 0.400 . 1 . . . . 32 ILE CB . 15843 1 386 . 1 1 32 32 ILE CD1 C 13 13.620 0.400 . 1 . . . . 32 ILE CD1 . 15843 1 387 . 1 1 32 32 ILE CG1 C 13 28.019 0.400 . 1 . . . . 32 ILE CG1 . 15843 1 388 . 1 1 32 32 ILE CG2 C 13 17.975 0.400 . 1 . . . . 32 ILE CG2 . 15843 1 389 . 1 1 32 32 ILE N N 15 123.360 0.400 . 1 . . . . 32 ILE N . 15843 1 390 . 1 1 33 33 LYS H H 1 8.435 0.020 . 1 . . . . 33 LYS H . 15843 1 391 . 1 1 33 33 LYS HA H 1 4.734 0.020 . 1 . . . . 33 LYS HA . 15843 1 392 . 1 1 33 33 LYS HB2 H 1 2.488 0.020 . 1 . . . . 33 LYS HB2 . 15843 1 393 . 1 1 33 33 LYS HB3 H 1 2.380 0.020 . 1 . . . . 33 LYS HB3 . 15843 1 394 . 1 1 33 33 LYS HD2 H 1 1.910 0.020 . 2 . . . . 33 LYS HD2 . 15843 1 395 . 1 1 33 33 LYS HD3 H 1 1.833 0.020 . 2 . . . . 33 LYS HD3 . 15843 1 396 . 1 1 33 33 LYS HE2 H 1 3.110 0.020 . 2 . . . . 33 LYS HE2 . 15843 1 397 . 1 1 33 33 LYS HE3 H 1 2.995 0.020 . 2 . . . . 33 LYS HE3 . 15843 1 398 . 1 1 33 33 LYS HG2 H 1 2.009 0.020 . 2 . . . . 33 LYS HG2 . 15843 1 399 . 1 1 33 33 LYS HG3 H 1 1.644 0.020 . 2 . . . . 33 LYS HG3 . 15843 1 400 . 1 1 33 33 LYS C C 13 175.037 0.400 . 1 . . . . 33 LYS C . 15843 1 401 . 1 1 33 33 LYS CA C 13 54.046 0.400 . 1 . . . . 33 LYS CA . 15843 1 402 . 1 1 33 33 LYS CB C 13 31.743 0.400 . 1 . . . . 33 LYS CB . 15843 1 403 . 1 1 33 33 LYS CD C 13 28.435 0.400 . 1 . . . . 33 LYS CD . 15843 1 404 . 1 1 33 33 LYS CE C 13 42.526 0.400 . 1 . . . . 33 LYS CE . 15843 1 405 . 1 1 33 33 LYS CG C 13 25.435 0.400 . 1 . . . . 33 LYS CG . 15843 1 406 . 1 1 33 33 LYS N N 15 118.502 0.400 . 1 . . . . 33 LYS N . 15843 1 407 . 1 1 34 34 VAL H H 1 7.750 0.020 . 1 . . . . 34 VAL H . 15843 1 408 . 1 1 34 34 VAL HA H 1 4.672 0.020 . 1 . . . . 34 VAL HA . 15843 1 409 . 1 1 34 34 VAL HB H 1 2.177 0.020 . 1 . . . . 34 VAL HB . 15843 1 410 . 1 1 34 34 VAL HG11 H 1 0.623 0.020 . 1 . . . . 34 VAL HG1 . 15843 1 411 . 1 1 34 34 VAL HG12 H 1 0.623 0.020 . 1 . . . . 34 VAL HG1 . 15843 1 412 . 1 1 34 34 VAL HG13 H 1 0.623 0.020 . 1 . . . . 34 VAL HG1 . 15843 1 413 . 1 1 34 34 VAL HG21 H 1 0.820 0.020 . 1 . . . . 34 VAL HG2 . 15843 1 414 . 1 1 34 34 VAL HG22 H 1 0.820 0.020 . 1 . . . . 34 VAL HG2 . 15843 1 415 . 1 1 34 34 VAL HG23 H 1 0.820 0.020 . 1 . . . . 34 VAL HG2 . 15843 1 416 . 1 1 34 34 VAL C C 13 175.911 0.400 . 1 . . . . 34 VAL C . 15843 1 417 . 1 1 34 34 VAL CA C 13 60.255 0.400 . 1 . . . . 34 VAL CA . 15843 1 418 . 1 1 34 34 VAL CB C 13 32.064 0.400 . 1 . . . . 34 VAL CB . 15843 1 419 . 1 1 34 34 VAL CG1 C 13 20.168 0.400 . 1 . . . . 34 VAL CG1 . 15843 1 420 . 1 1 34 34 VAL CG2 C 13 21.271 0.400 . 1 . . . . 34 VAL CG2 . 15843 1 421 . 1 1 34 34 VAL N N 15 120.487 0.400 . 1 . . . . 34 VAL N . 15843 1 422 . 1 1 35 35 ALA H H 1 9.109 0.020 . 1 . . . . 35 ALA H . 15843 1 423 . 1 1 35 35 ALA HA H 1 4.143 0.020 . 1 . . . . 35 ALA HA . 15843 1 424 . 1 1 35 35 ALA HB1 H 1 1.412 0.020 . 1 . . . . 35 ALA HB . 15843 1 425 . 1 1 35 35 ALA HB2 H 1 1.412 0.020 . 1 . . . . 35 ALA HB . 15843 1 426 . 1 1 35 35 ALA HB3 H 1 1.412 0.020 . 1 . . . . 35 ALA HB . 15843 1 427 . 1 1 35 35 ALA C C 13 177.887 0.400 . 1 . . . . 35 ALA C . 15843 1 428 . 1 1 35 35 ALA CA C 13 54.562 0.400 . 1 . . . . 35 ALA CA . 15843 1 429 . 1 1 35 35 ALA CB C 13 18.880 0.400 . 1 . . . . 35 ALA CB . 15843 1 430 . 1 1 35 35 ALA N N 15 129.552 0.400 . 1 . . . . 35 ALA N . 15843 1 431 . 1 1 36 36 ASN H H 1 8.169 0.020 . 1 . . . . 36 ASN H . 15843 1 432 . 1 1 36 36 ASN HA H 1 5.108 0.020 . 1 . . . . 36 ASN HA . 15843 1 433 . 1 1 36 36 ASN HB2 H 1 2.774 0.020 . 2 . . . . 36 ASN HB2 . 15843 1 434 . 1 1 36 36 ASN HB3 H 1 2.661 0.020 . 2 . . . . 36 ASN HB3 . 15843 1 435 . 1 1 36 36 ASN HD21 H 1 7.520 0.020 . 1 . . . . 36 ASN HD21 . 15843 1 436 . 1 1 36 36 ASN HD22 H 1 7.748 0.020 . 1 . . . . 36 ASN HD22 . 15843 1 437 . 1 1 36 36 ASN CA C 13 50.333 0.400 . 1 . . . . 36 ASN CA . 15843 1 438 . 1 1 36 36 ASN CB C 13 35.521 0.400 . 1 . . . . 36 ASN CB . 15843 1 439 . 1 1 36 36 ASN N N 15 112.302 0.400 . 1 . . . . 36 ASN N . 15843 1 440 . 1 1 36 36 ASN ND2 N 15 110.391 0.400 . 1 . . . . 36 ASN ND2 . 15843 1 441 . 1 1 37 37 PRO HA H 1 3.891 0.020 . 1 . . . . 37 PRO HA . 15843 1 442 . 1 1 37 37 PRO HB2 H 1 2.019 0.020 . 2 . . . . 37 PRO HB2 . 15843 1 443 . 1 1 37 37 PRO HB3 H 1 2.015 0.020 . 2 . . . . 37 PRO HB3 . 15843 1 444 . 1 1 37 37 PRO HD2 H 1 3.679 0.020 . 1 . . . . 37 PRO HD2 . 15843 1 445 . 1 1 37 37 PRO HD3 H 1 3.456 0.020 . 1 . . . . 37 PRO HD3 . 15843 1 446 . 1 1 37 37 PRO HG2 H 1 1.965 0.020 . 2 . . . . 37 PRO HG2 . 15843 1 447 . 1 1 37 37 PRO HG3 H 1 1.957 0.020 . 2 . . . . 37 PRO HG3 . 15843 1 448 . 1 1 37 37 PRO C C 13 177.715 0.400 . 1 . . . . 37 PRO C . 15843 1 449 . 1 1 37 37 PRO CA C 13 64.104 0.400 . 1 . . . . 37 PRO CA . 15843 1 450 . 1 1 37 37 PRO CB C 13 32.380 0.400 . 1 . . . . 37 PRO CB . 15843 1 451 . 1 1 37 37 PRO CD C 13 50.280 0.400 . 1 . . . . 37 PRO CD . 15843 1 452 . 1 1 37 37 PRO CG C 13 27.140 0.400 . 1 . . . . 37 PRO CG . 15843 1 453 . 1 1 38 38 ASP H H 1 8.843 0.020 . 1 . . . . 38 ASP H . 15843 1 454 . 1 1 38 38 ASP HA H 1 4.350 0.020 . 1 . . . . 38 ASP HA . 15843 1 455 . 1 1 38 38 ASP HB2 H 1 2.550 0.020 . 2 . . . . 38 ASP HB2 . 15843 1 456 . 1 1 38 38 ASP HB3 H 1 2.658 0.020 . 2 . . . . 38 ASP HB3 . 15843 1 457 . 1 1 38 38 ASP C C 13 176.942 0.400 . 1 . . . . 38 ASP C . 15843 1 458 . 1 1 38 38 ASP CA C 13 56.035 0.400 . 1 . . . . 38 ASP CA . 15843 1 459 . 1 1 38 38 ASP CB C 13 39.249 0.400 . 1 . . . . 38 ASP CB . 15843 1 460 . 1 1 38 38 ASP N N 15 118.913 0.400 . 1 . . . . 38 ASP N . 15843 1 461 . 1 1 39 39 LEU H H 1 7.548 0.020 . 1 . . . . 39 LEU H . 15843 1 462 . 1 1 39 39 LEU HA H 1 4.268 0.020 . 1 . . . . 39 LEU HA . 15843 1 463 . 1 1 39 39 LEU HB2 H 1 1.473 0.020 . 1 . . . . 39 LEU HB2 . 15843 1 464 . 1 1 39 39 LEU HB3 H 1 1.625 0.020 . 1 . . . . 39 LEU HB3 . 15843 1 465 . 1 1 39 39 LEU HD11 H 1 0.830 0.020 . 1 . . . . 39 LEU HD1 . 15843 1 466 . 1 1 39 39 LEU HD12 H 1 0.830 0.020 . 1 . . . . 39 LEU HD1 . 15843 1 467 . 1 1 39 39 LEU HD13 H 1 0.830 0.020 . 1 . . . . 39 LEU HD1 . 15843 1 468 . 1 1 39 39 LEU HD21 H 1 0.724 0.020 . 1 . . . . 39 LEU HD2 . 15843 1 469 . 1 1 39 39 LEU HD22 H 1 0.724 0.020 . 1 . . . . 39 LEU HD2 . 15843 1 470 . 1 1 39 39 LEU HD23 H 1 0.724 0.020 . 1 . . . . 39 LEU HD2 . 15843 1 471 . 1 1 39 39 LEU HG H 1 1.561 0.020 . 1 . . . . 39 LEU HG . 15843 1 472 . 1 1 39 39 LEU C C 13 176.727 0.400 . 1 . . . . 39 LEU C . 15843 1 473 . 1 1 39 39 LEU CA C 13 54.091 0.400 . 1 . . . . 39 LEU CA . 15843 1 474 . 1 1 39 39 LEU CB C 13 41.404 0.400 . 1 . . . . 39 LEU CB . 15843 1 475 . 1 1 39 39 LEU CD1 C 13 25.020 0.400 . 1 . . . . 39 LEU CD1 . 15843 1 476 . 1 1 39 39 LEU CD2 C 13 22.667 0.400 . 1 . . . . 39 LEU CD2 . 15843 1 477 . 1 1 39 39 LEU CG C 13 27.418 0.400 . 1 . . . . 39 LEU CG . 15843 1 478 . 1 1 39 39 LEU N N 15 117.047 0.400 . 1 . . . . 39 LEU N . 15843 1 479 . 1 1 40 40 ILE H H 1 7.047 0.020 . 1 . . . . 40 ILE H . 15843 1 480 . 1 1 40 40 ILE HA H 1 2.710 0.020 . 1 . . . . 40 ILE HA . 15843 1 481 . 1 1 40 40 ILE HB H 1 0.947 0.020 . 1 . . . . 40 ILE HB . 15843 1 482 . 1 1 40 40 ILE HD11 H 1 0.304 0.020 . 1 . . . . 40 ILE HD1 . 15843 1 483 . 1 1 40 40 ILE HD12 H 1 0.304 0.020 . 1 . . . . 40 ILE HD1 . 15843 1 484 . 1 1 40 40 ILE HD13 H 1 0.304 0.020 . 1 . . . . 40 ILE HD1 . 15843 1 485 . 1 1 40 40 ILE HG12 H 1 1.241 0.020 . 2 . . . . 40 ILE HG12 . 15843 1 486 . 1 1 40 40 ILE HG13 H 1 0.129 0.020 . 2 . . . . 40 ILE HG13 . 15843 1 487 . 1 1 40 40 ILE HG21 H 1 -0.917 0.020 . 1 . . . . 40 ILE HG2 . 15843 1 488 . 1 1 40 40 ILE HG22 H 1 -0.917 0.020 . 1 . . . . 40 ILE HG2 . 15843 1 489 . 1 1 40 40 ILE HG23 H 1 -0.917 0.020 . 1 . . . . 40 ILE HG2 . 15843 1 490 . 1 1 40 40 ILE C C 13 174.794 0.400 . 1 . . . . 40 ILE C . 15843 1 491 . 1 1 40 40 ILE CA C 13 64.352 0.400 . 1 . . . . 40 ILE CA . 15843 1 492 . 1 1 40 40 ILE CB C 13 37.301 0.400 . 1 . . . . 40 ILE CB . 15843 1 493 . 1 1 40 40 ILE CD1 C 13 14.437 0.400 . 1 . . . . 40 ILE CD1 . 15843 1 494 . 1 1 40 40 ILE CG1 C 13 28.457 0.400 . 1 . . . . 40 ILE CG1 . 15843 1 495 . 1 1 40 40 ILE CG2 C 13 14.447 0.400 . 1 . . . . 40 ILE CG2 . 15843 1 496 . 1 1 40 40 ILE N N 15 118.412 0.400 . 1 . . . . 40 ILE N . 15843 1 497 . 1 1 41 41 LYS H H 1 6.395 0.020 . 1 . . . . 41 LYS H . 15843 1 498 . 1 1 41 41 LYS HA H 1 4.246 0.020 . 1 . . . . 41 LYS HA . 15843 1 499 . 1 1 41 41 LYS HB2 H 1 1.896 0.020 . 2 . . . . 41 LYS HB2 . 15843 1 500 . 1 1 41 41 LYS HB3 H 1 1.638 0.020 . 2 . . . . 41 LYS HB3 . 15843 1 501 . 1 1 41 41 LYS HD2 H 1 1.641 0.020 . 2 . . . . 41 LYS HD2 . 15843 1 502 . 1 1 41 41 LYS HD3 H 1 1.641 0.020 . 2 . . . . 41 LYS HD3 . 15843 1 503 . 1 1 41 41 LYS HE2 H 1 2.969 0.020 . 2 . . . . 41 LYS HE2 . 15843 1 504 . 1 1 41 41 LYS HE3 H 1 2.965 0.020 . 2 . . . . 41 LYS HE3 . 15843 1 505 . 1 1 41 41 LYS HG2 H 1 1.384 0.020 . 2 . . . . 41 LYS HG2 . 15843 1 506 . 1 1 41 41 LYS HG3 H 1 1.195 0.020 . 2 . . . . 41 LYS HG3 . 15843 1 507 . 1 1 41 41 LYS C C 13 174.422 0.400 . 1 . . . . 41 LYS C . 15843 1 508 . 1 1 41 41 LYS CA C 13 54.521 0.400 . 1 . . . . 41 LYS CA . 15843 1 509 . 1 1 41 41 LYS CB C 13 35.426 0.400 . 1 . . . . 41 LYS CB . 15843 1 510 . 1 1 41 41 LYS CD C 13 28.942 0.400 . 1 . . . . 41 LYS CD . 15843 1 511 . 1 1 41 41 LYS CE C 13 41.780 0.400 . 1 . . . . 41 LYS CE . 15843 1 512 . 1 1 41 41 LYS CG C 13 23.095 0.400 . 1 . . . . 41 LYS CG . 15843 1 513 . 1 1 41 41 LYS N N 15 122.843 0.400 . 1 . . . . 41 LYS N . 15843 1 514 . 1 1 42 42 LYS H H 1 8.788 0.020 . 1 . . . . 42 LYS H . 15843 1 515 . 1 1 42 42 LYS HA H 1 3.603 0.020 . 1 . . . . 42 LYS HA . 15843 1 516 . 1 1 42 42 LYS HB2 H 1 1.775 0.020 . 2 . . . . 42 LYS HB2 . 15843 1 517 . 1 1 42 42 LYS HB3 H 1 1.699 0.020 . 2 . . . . 42 LYS HB3 . 15843 1 518 . 1 1 42 42 LYS HD2 H 1 1.831 0.020 . 2 . . . . 42 LYS HD2 . 15843 1 519 . 1 1 42 42 LYS HD3 H 1 1.683 0.020 . 2 . . . . 42 LYS HD3 . 15843 1 520 . 1 1 42 42 LYS HE2 H 1 3.115 0.020 . 2 . . . . 42 LYS HE2 . 15843 1 521 . 1 1 42 42 LYS HE3 H 1 3.115 0.020 . 2 . . . . 42 LYS HE3 . 15843 1 522 . 1 1 42 42 LYS HG2 H 1 1.402 0.020 . 2 . . . . 42 LYS HG2 . 15843 1 523 . 1 1 42 42 LYS HG3 H 1 1.363 0.020 . 2 . . . . 42 LYS HG3 . 15843 1 524 . 1 1 42 42 LYS C C 13 176.169 0.400 . 1 . . . . 42 LYS C . 15843 1 525 . 1 1 42 42 LYS CA C 13 59.038 0.400 . 1 . . . . 42 LYS CA . 15843 1 526 . 1 1 42 42 LYS CB C 13 31.981 0.400 . 1 . . . . 42 LYS CB . 15843 1 527 . 1 1 42 42 LYS CD C 13 28.780 0.400 . 1 . . . . 42 LYS CD . 15843 1 528 . 1 1 42 42 LYS CE C 13 41.780 0.400 . 1 . . . . 42 LYS CE . 15843 1 529 . 1 1 42 42 LYS CG C 13 24.910 0.400 . 1 . . . . 42 LYS CG . 15843 1 530 . 1 1 42 42 LYS N N 15 122.219 0.400 . 1 . . . . 42 LYS N . 15843 1 531 . 1 1 43 43 ASP H H 1 9.183 0.020 . 1 . . . . 43 ASP H . 15843 1 532 . 1 1 43 43 ASP HA H 1 4.191 0.020 . 1 . . . . 43 ASP HA . 15843 1 533 . 1 1 43 43 ASP HB2 H 1 2.888 0.020 . 2 . . . . 43 ASP HB2 . 15843 1 534 . 1 1 43 43 ASP HB3 H 1 3.150 0.020 . 2 . . . . 43 ASP HB3 . 15843 1 535 . 1 1 43 43 ASP C C 13 174.866 0.400 . 1 . . . . 43 ASP C . 15843 1 536 . 1 1 43 43 ASP CA C 13 57.064 0.400 . 1 . . . . 43 ASP CA . 15843 1 537 . 1 1 43 43 ASP CB C 13 38.724 0.400 . 1 . . . . 43 ASP CB . 15843 1 538 . 1 1 43 43 ASP N N 15 119.807 0.400 . 1 . . . . 43 ASP N . 15843 1 539 . 1 1 44 44 ALA H H 1 7.669 0.020 . 1 . . . . 44 ALA H . 15843 1 540 . 1 1 44 44 ALA HA H 1 4.273 0.020 . 1 . . . . 44 ALA HA . 15843 1 541 . 1 1 44 44 ALA HB1 H 1 1.344 0.020 . 1 . . . . 44 ALA HB . 15843 1 542 . 1 1 44 44 ALA HB2 H 1 1.344 0.020 . 1 . . . . 44 ALA HB . 15843 1 543 . 1 1 44 44 ALA HB3 H 1 1.344 0.020 . 1 . . . . 44 ALA HB . 15843 1 544 . 1 1 44 44 ALA C C 13 176.197 0.400 . 1 . . . . 44 ALA C . 15843 1 545 . 1 1 44 44 ALA CA C 13 52.503 0.400 . 1 . . . . 44 ALA CA . 15843 1 546 . 1 1 44 44 ALA CB C 13 19.511 0.400 . 1 . . . . 44 ALA CB . 15843 1 547 . 1 1 44 44 ALA N N 15 121.785 0.400 . 1 . . . . 44 ALA N . 15843 1 548 . 1 1 45 45 ALA H H 1 8.522 0.020 . 1 . . . . 45 ALA H . 15843 1 549 . 1 1 45 45 ALA HA H 1 4.820 0.020 . 1 . . . . 45 ALA HA . 15843 1 550 . 1 1 45 45 ALA HB1 H 1 1.441 0.020 . 1 . . . . 45 ALA HB . 15843 1 551 . 1 1 45 45 ALA HB2 H 1 1.441 0.020 . 1 . . . . 45 ALA HB . 15843 1 552 . 1 1 45 45 ALA HB3 H 1 1.441 0.020 . 1 . . . . 45 ALA HB . 15843 1 553 . 1 1 45 45 ALA C C 13 177.128 0.400 . 1 . . . . 45 ALA C . 15843 1 554 . 1 1 45 45 ALA CA C 13 51.512 0.400 . 1 . . . . 45 ALA CA . 15843 1 555 . 1 1 45 45 ALA CB C 13 19.306 0.400 . 1 . . . . 45 ALA CB . 15843 1 556 . 1 1 45 45 ALA N N 15 125.014 0.400 . 1 . . . . 45 ALA N . 15843 1 557 . 1 1 46 46 VAL H H 1 8.358 0.020 . 1 . . . . 46 VAL H . 15843 1 558 . 1 1 46 46 VAL HA H 1 5.659 0.020 . 1 . . . . 46 VAL HA . 15843 1 559 . 1 1 46 46 VAL HB H 1 1.950 0.020 . 1 . . . . 46 VAL HB . 15843 1 560 . 1 1 46 46 VAL HG11 H 1 0.435 0.020 . 1 . . . . 46 VAL HG1 . 15843 1 561 . 1 1 46 46 VAL HG12 H 1 0.435 0.020 . 1 . . . . 46 VAL HG1 . 15843 1 562 . 1 1 46 46 VAL HG13 H 1 0.435 0.020 . 1 . . . . 46 VAL HG1 . 15843 1 563 . 1 1 46 46 VAL HG21 H 1 0.322 0.020 . 1 . . . . 46 VAL HG2 . 15843 1 564 . 1 1 46 46 VAL HG22 H 1 0.322 0.020 . 1 . . . . 46 VAL HG2 . 15843 1 565 . 1 1 46 46 VAL HG23 H 1 0.322 0.020 . 1 . . . . 46 VAL HG2 . 15843 1 566 . 1 1 46 46 VAL C C 13 177.199 0.400 . 1 . . . . 46 VAL C . 15843 1 567 . 1 1 46 46 VAL CA C 13 57.919 0.400 . 1 . . . . 46 VAL CA . 15843 1 568 . 1 1 46 46 VAL CB C 13 36.362 0.400 . 1 . . . . 46 VAL CB . 15843 1 569 . 1 1 46 46 VAL CG1 C 13 22.722 0.400 . 1 . . . . 46 VAL CG1 . 15843 1 570 . 1 1 46 46 VAL CG2 C 13 18.348 0.400 . 1 . . . . 46 VAL CG2 . 15843 1 571 . 1 1 46 46 VAL N N 15 109.774 0.400 . 1 . . . . 46 VAL N . 15843 1 572 . 1 1 47 47 THR H H 1 8.902 0.020 . 1 . . . . 47 THR H . 15843 1 573 . 1 1 47 47 THR HA H 1 5.462 0.020 . 1 . . . . 47 THR HA . 15843 1 574 . 1 1 47 47 THR HB H 1 3.987 0.020 . 1 . . . . 47 THR HB . 15843 1 575 . 1 1 47 47 THR HG21 H 1 1.137 0.020 . 1 . . . . 47 THR HG2 . 15843 1 576 . 1 1 47 47 THR HG22 H 1 1.137 0.020 . 1 . . . . 47 THR HG2 . 15843 1 577 . 1 1 47 47 THR HG23 H 1 1.137 0.020 . 1 . . . . 47 THR HG2 . 15843 1 578 . 1 1 47 47 THR C C 13 173.405 0.400 . 1 . . . . 47 THR C . 15843 1 579 . 1 1 47 47 THR CA C 13 60.139 0.400 . 1 . . . . 47 THR CA . 15843 1 580 . 1 1 47 47 THR CB C 13 71.233 0.400 . 1 . . . . 47 THR CB . 15843 1 581 . 1 1 47 47 THR CG2 C 13 20.825 0.400 . 1 . . . . 47 THR CG2 . 15843 1 582 . 1 1 47 47 THR N N 15 112.758 0.400 . 1 . . . . 47 THR N . 15843 1 583 . 1 1 48 48 PHE H H 1 8.423 0.020 . 1 . . . . 48 PHE H . 15843 1 584 . 1 1 48 48 PHE HA H 1 5.099 0.020 . 1 . . . . 48 PHE HA . 15843 1 585 . 1 1 48 48 PHE HB2 H 1 2.852 0.020 . 2 . . . . 48 PHE HB2 . 15843 1 586 . 1 1 48 48 PHE HB3 H 1 2.846 0.020 . 2 . . . . 48 PHE HB3 . 15843 1 587 . 1 1 48 48 PHE HD1 H 1 6.699 0.020 . 1 . . . . 48 PHE HD1 . 15843 1 588 . 1 1 48 48 PHE HD2 H 1 6.699 0.020 . 1 . . . . 48 PHE HD2 . 15843 1 589 . 1 1 48 48 PHE HE1 H 1 6.821 0.020 . 1 . . . . 48 PHE HE1 . 15843 1 590 . 1 1 48 48 PHE HE2 H 1 6.821 0.020 . 1 . . . . 48 PHE HE2 . 15843 1 591 . 1 1 48 48 PHE C C 13 172.231 0.400 . 1 . . . . 48 PHE C . 15843 1 592 . 1 1 48 48 PHE CA C 13 56.390 0.400 . 1 . . . . 48 PHE CA . 15843 1 593 . 1 1 48 48 PHE CB C 13 41.169 0.400 . 1 . . . . 48 PHE CB . 15843 1 594 . 1 1 48 48 PHE CD1 C 13 132.128 0.400 . 1 . . . . 48 PHE CD1 . 15843 1 595 . 1 1 48 48 PHE CE1 C 13 129.653 0.400 . 1 . . . . 48 PHE CE1 . 15843 1 596 . 1 1 48 48 PHE N N 15 115.866 0.400 . 1 . . . . 48 PHE N . 15843 1 597 . 1 1 49 49 GLU H H 1 8.622 0.020 . 1 . . . . 49 GLU H . 15843 1 598 . 1 1 49 49 GLU HA H 1 4.907 0.020 . 1 . . . . 49 GLU HA . 15843 1 599 . 1 1 49 49 GLU HB2 H 1 0.230 0.020 . 1 . . . . 49 GLU HB2 . 15843 1 600 . 1 1 49 49 GLU HB3 H 1 1.464 0.020 . 1 . . . . 49 GLU HB3 . 15843 1 601 . 1 1 49 49 GLU HG2 H 1 1.993 0.020 . 2 . . . . 49 GLU HG2 . 15843 1 602 . 1 1 49 49 GLU HG3 H 1 1.990 0.020 . 2 . . . . 49 GLU HG3 . 15843 1 603 . 1 1 49 49 GLU CA C 13 51.497 0.400 . 1 . . . . 49 GLU CA . 15843 1 604 . 1 1 49 49 GLU CB C 13 28.890 0.400 . 1 . . . . 49 GLU CB . 15843 1 605 . 1 1 49 49 GLU CG C 13 33.757 0.400 . 1 . . . . 49 GLU CG . 15843 1 606 . 1 1 49 49 GLU N N 15 117.484 0.400 . 1 . . . . 49 GLU N . 15843 1 607 . 1 1 50 50 PRO HA H 1 4.829 0.020 . 1 . . . . 50 PRO HA . 15843 1 608 . 1 1 50 50 PRO HB2 H 1 2.331 0.020 . 2 . . . . 50 PRO HB2 . 15843 1 609 . 1 1 50 50 PRO HB3 H 1 2.256 0.020 . 2 . . . . 50 PRO HB3 . 15843 1 610 . 1 1 50 50 PRO HD2 H 1 4.032 0.020 . 2 . . . . 50 PRO HD2 . 15843 1 611 . 1 1 50 50 PRO HD3 H 1 3.263 0.020 . 2 . . . . 50 PRO HD3 . 15843 1 612 . 1 1 50 50 PRO HG2 H 1 2.142 0.020 . 2 . . . . 50 PRO HG2 . 15843 1 613 . 1 1 50 50 PRO HG3 H 1 2.145 0.020 . 2 . . . . 50 PRO HG3 . 15843 1 614 . 1 1 50 50 PRO C C 13 175.925 0.400 . 1 . . . . 50 PRO C . 15843 1 615 . 1 1 50 50 PRO CA C 13 62.593 0.400 . 1 . . . . 50 PRO CA . 15843 1 616 . 1 1 50 50 PRO CB C 13 32.917 0.400 . 1 . . . . 50 PRO CB . 15843 1 617 . 1 1 50 50 PRO CD C 13 50.532 0.400 . 1 . . . . 50 PRO CD . 15843 1 618 . 1 1 50 50 PRO CG C 13 27.140 0.400 . 1 . . . . 50 PRO CG . 15843 1 619 . 1 1 51 51 THR H H 1 7.621 0.020 . 1 . . . . 51 THR H . 15843 1 620 . 1 1 51 51 THR HA H 1 4.742 0.020 . 1 . . . . 51 THR HA . 15843 1 621 . 1 1 51 51 THR HB H 1 4.433 0.020 . 1 . . . . 51 THR HB . 15843 1 622 . 1 1 51 51 THR HG21 H 1 1.029 0.020 . 1 . . . . 51 THR HG2 . 15843 1 623 . 1 1 51 51 THR HG22 H 1 1.029 0.020 . 1 . . . . 51 THR HG2 . 15843 1 624 . 1 1 51 51 THR HG23 H 1 1.029 0.020 . 1 . . . . 51 THR HG2 . 15843 1 625 . 1 1 51 51 THR C C 13 172.074 0.400 . 1 . . . . 51 THR C . 15843 1 626 . 1 1 51 51 THR CA C 13 60.558 0.400 . 1 . . . . 51 THR CA . 15843 1 627 . 1 1 51 51 THR CB C 13 68.841 0.400 . 1 . . . . 51 THR CB . 15843 1 628 . 1 1 51 51 THR CG2 C 13 19.070 0.400 . 1 . . . . 51 THR CG2 . 15843 1 629 . 1 1 51 51 THR N N 15 112.909 0.400 . 1 . . . . 51 THR N . 15843 1 630 . 1 1 52 52 THR H H 1 8.367 0.020 . 1 . . . . 52 THR H . 15843 1 631 . 1 1 52 52 THR HA H 1 4.975 0.020 . 1 . . . . 52 THR HA . 15843 1 632 . 1 1 52 52 THR HB H 1 4.101 0.020 . 1 . . . . 52 THR HB . 15843 1 633 . 1 1 52 52 THR HG21 H 1 1.215 0.020 . 1 . . . . 52 THR HG2 . 15843 1 634 . 1 1 52 52 THR HG22 H 1 1.215 0.020 . 1 . . . . 52 THR HG2 . 15843 1 635 . 1 1 52 52 THR HG23 H 1 1.215 0.020 . 1 . . . . 52 THR HG2 . 15843 1 636 . 1 1 52 52 THR C C 13 173.047 0.400 . 1 . . . . 52 THR C . 15843 1 637 . 1 1 52 52 THR CA C 13 60.794 0.400 . 1 . . . . 52 THR CA . 15843 1 638 . 1 1 52 52 THR CB C 13 71.210 0.400 . 1 . . . . 52 THR CB . 15843 1 639 . 1 1 52 52 THR CG2 C 13 21.237 0.400 . 1 . . . . 52 THR CG2 . 15843 1 640 . 1 1 52 52 THR N N 15 117.260 0.400 . 1 . . . . 52 THR N . 15843 1 641 . 1 1 53 53 ASN H H 1 8.827 0.020 . 1 . . . . 53 ASN H . 15843 1 642 . 1 1 53 53 ASN HA H 1 4.756 0.020 . 1 . . . . 53 ASN HA . 15843 1 643 . 1 1 53 53 ASN HB2 H 1 3.293 0.020 . 2 . . . . 53 ASN HB2 . 15843 1 644 . 1 1 53 53 ASN HB3 H 1 3.021 0.020 . 2 . . . . 53 ASN HB3 . 15843 1 645 . 1 1 53 53 ASN HD21 H 1 7.610 0.020 . 1 . . . . 53 ASN HD21 . 15843 1 646 . 1 1 53 53 ASN HD22 H 1 6.282 0.020 . 1 . . . . 53 ASN HD22 . 15843 1 647 . 1 1 53 53 ASN CA C 13 53.430 0.400 . 1 . . . . 53 ASN CA . 15843 1 648 . 1 1 53 53 ASN CB C 13 38.660 0.400 . 1 . . . . 53 ASN CB . 15843 1 649 . 1 1 53 53 ASN N N 15 122.737 0.400 . 1 . . . . 53 ASN N . 15843 1 650 . 1 1 53 53 ASN ND2 N 15 110.391 0.400 . 1 . . . . 53 ASN ND2 . 15843 1 651 . 1 1 54 54 ASN HA H 1 4.420 0.020 . 1 . . . . 54 ASN HA . 15843 1 652 . 1 1 54 54 ASN HB2 H 1 2.892 0.020 . 2 . . . . 54 ASN HB2 . 15843 1 653 . 1 1 54 54 ASN HB3 H 1 2.813 0.020 . 2 . . . . 54 ASN HB3 . 15843 1 654 . 1 1 54 54 ASN HD21 H 1 7.551 0.020 . 2 . . . . 54 ASN HD21 . 15843 1 655 . 1 1 54 54 ASN HD22 H 1 6.848 0.020 . 2 . . . . 54 ASN HD22 . 15843 1 656 . 1 1 54 54 ASN C C 13 176.154 0.400 . 1 . . . . 54 ASN C . 15843 1 657 . 1 1 54 54 ASN CA C 13 55.580 0.400 . 1 . . . . 54 ASN CA . 15843 1 658 . 1 1 54 54 ASN CB C 13 36.917 0.400 . 1 . . . . 54 ASN CB . 15843 1 659 . 1 1 54 54 ASN ND2 N 15 112.286 0.400 . 1 . . . . 54 ASN ND2 . 15843 1 660 . 1 1 55 55 LYS H H 1 8.190 0.020 . 1 . . . . 55 LYS H . 15843 1 661 . 1 1 55 55 LYS HA H 1 4.225 0.020 . 1 . . . . 55 LYS HA . 15843 1 662 . 1 1 55 55 LYS HB2 H 1 1.528 0.020 . 2 . . . . 55 LYS HB2 . 15843 1 663 . 1 1 55 55 LYS HB3 H 1 1.524 0.020 . 2 . . . . 55 LYS HB3 . 15843 1 664 . 1 1 55 55 LYS HD2 H 1 1.560 0.020 . 2 . . . . 55 LYS HD2 . 15843 1 665 . 1 1 55 55 LYS HD3 H 1 1.559 0.020 . 2 . . . . 55 LYS HD3 . 15843 1 666 . 1 1 55 55 LYS HE2 H 1 2.623 0.020 . 2 . . . . 55 LYS HE2 . 15843 1 667 . 1 1 55 55 LYS HE3 H 1 2.588 0.020 . 2 . . . . 55 LYS HE3 . 15843 1 668 . 1 1 55 55 LYS HG2 H 1 0.985 0.020 . 2 . . . . 55 LYS HG2 . 15843 1 669 . 1 1 55 55 LYS HG3 H 1 0.706 0.020 . 2 . . . . 55 LYS HG3 . 15843 1 670 . 1 1 55 55 LYS C C 13 176.154 0.400 . 1 . . . . 55 LYS C . 15843 1 671 . 1 1 55 55 LYS CA C 13 55.113 0.400 . 1 . . . . 55 LYS CA . 15843 1 672 . 1 1 55 55 LYS CB C 13 31.703 0.400 . 1 . . . . 55 LYS CB . 15843 1 673 . 1 1 55 55 LYS CD C 13 28.780 0.400 . 1 . . . . 55 LYS CD . 15843 1 674 . 1 1 55 55 LYS CE C 13 41.780 0.400 . 1 . . . . 55 LYS CE . 15843 1 675 . 1 1 55 55 LYS CG C 13 24.017 0.400 . 1 . . . . 55 LYS CG . 15843 1 676 . 1 1 55 55 LYS N N 15 117.935 0.400 . 1 . . . . 55 LYS N . 15843 1 677 . 1 1 56 56 GLY H H 1 7.966 0.020 . 1 . . . . 56 GLY H . 15843 1 678 . 1 1 56 56 GLY HA2 H 1 4.496 0.020 . 2 . . . . 56 GLY HA2 . 15843 1 679 . 1 1 56 56 GLY HA3 H 1 3.794 0.020 . 2 . . . . 56 GLY HA3 . 15843 1 680 . 1 1 56 56 GLY C C 13 173.262 0.400 . 1 . . . . 56 GLY C . 15843 1 681 . 1 1 56 56 GLY CA C 13 44.177 0.400 . 1 . . . . 56 GLY CA . 15843 1 682 . 1 1 56 56 GLY N N 15 108.898 0.400 . 1 . . . . 56 GLY N . 15843 1 683 . 1 1 57 57 LEU H H 1 8.716 0.020 . 1 . . . . 57 LEU H . 15843 1 684 . 1 1 57 57 LEU HA H 1 4.442 0.020 . 1 . . . . 57 LEU HA . 15843 1 685 . 1 1 57 57 LEU HB2 H 1 2.242 0.020 . 1 . . . . 57 LEU HB2 . 15843 1 686 . 1 1 57 57 LEU HB3 H 1 1.542 0.020 . 1 . . . . 57 LEU HB3 . 15843 1 687 . 1 1 57 57 LEU HD11 H 1 0.979 0.020 . 2 . . . . 57 LEU HD1 . 15843 1 688 . 1 1 57 57 LEU HD12 H 1 0.979 0.020 . 2 . . . . 57 LEU HD1 . 15843 1 689 . 1 1 57 57 LEU HD13 H 1 0.979 0.020 . 2 . . . . 57 LEU HD1 . 15843 1 690 . 1 1 57 57 LEU HD21 H 1 0.970 0.020 . 2 . . . . 57 LEU HD2 . 15843 1 691 . 1 1 57 57 LEU HD22 H 1 0.970 0.020 . 2 . . . . 57 LEU HD2 . 15843 1 692 . 1 1 57 57 LEU HD23 H 1 0.970 0.020 . 2 . . . . 57 LEU HD2 . 15843 1 693 . 1 1 57 57 LEU HG H 1 1.947 0.020 . 1 . . . . 57 LEU HG . 15843 1 694 . 1 1 57 57 LEU C C 13 178.488 0.400 . 1 . . . . 57 LEU C . 15843 1 695 . 1 1 57 57 LEU CA C 13 56.424 0.400 . 1 . . . . 57 LEU CA . 15843 1 696 . 1 1 57 57 LEU CB C 13 42.582 0.400 . 1 . . . . 57 LEU CB . 15843 1 697 . 1 1 57 57 LEU CD1 C 13 22.939 0.400 . 1 . . . . 57 LEU CD1 . 15843 1 698 . 1 1 57 57 LEU CD2 C 13 22.874 0.400 . 1 . . . . 57 LEU CD2 . 15843 1 699 . 1 1 57 57 LEU CG C 13 26.770 0.400 . 1 . . . . 57 LEU CG . 15843 1 700 . 1 1 57 57 LEU N N 15 122.286 0.400 . 1 . . . . 57 LEU N . 15843 1 701 . 1 1 58 58 SER H H 1 9.033 0.020 . 1 . . . . 58 SER H . 15843 1 702 . 1 1 58 58 SER HA H 1 5.696 0.020 . 1 . . . . 58 SER HA . 15843 1 703 . 1 1 58 58 SER HB2 H 1 3.657 0.020 . 1 . . . . 58 SER HB2 . 15843 1 704 . 1 1 58 58 SER HB3 H 1 3.890 0.020 . 1 . . . . 58 SER HB3 . 15843 1 705 . 1 1 58 58 SER C C 13 173.820 0.400 . 1 . . . . 58 SER C . 15843 1 706 . 1 1 58 58 SER CA C 13 56.715 0.400 . 1 . . . . 58 SER CA . 15843 1 707 . 1 1 58 58 SER CB C 13 65.779 0.400 . 1 . . . . 58 SER CB . 15843 1 708 . 1 1 58 58 SER N N 15 117.913 0.400 . 1 . . . . 58 SER N . 15843 1 709 . 1 1 59 59 ALA H H 1 8.775 0.020 . 1 . . . . 59 ALA H . 15843 1 710 . 1 1 59 59 ALA HA H 1 5.409 0.020 . 1 . . . . 59 ALA HA . 15843 1 711 . 1 1 59 59 ALA HB1 H 1 0.805 0.020 . 1 . . . . 59 ALA HB . 15843 1 712 . 1 1 59 59 ALA HB2 H 1 0.805 0.020 . 1 . . . . 59 ALA HB . 15843 1 713 . 1 1 59 59 ALA HB3 H 1 0.805 0.020 . 1 . . . . 59 ALA HB . 15843 1 714 . 1 1 59 59 ALA C C 13 174.966 0.400 . 1 . . . . 59 ALA C . 15843 1 715 . 1 1 59 59 ALA CA C 13 50.783 0.400 . 1 . . . . 59 ALA CA . 15843 1 716 . 1 1 59 59 ALA CB C 13 23.985 0.400 . 1 . . . . 59 ALA CB . 15843 1 717 . 1 1 59 59 ALA N N 15 125.556 0.400 . 1 . . . . 59 ALA N . 15843 1 718 . 1 1 60 60 TYR H H 1 9.347 0.020 . 1 . . . . 60 TYR H . 15843 1 719 . 1 1 60 60 TYR HA H 1 5.030 0.020 . 1 . . . . 60 TYR HA . 15843 1 720 . 1 1 60 60 TYR HB2 H 1 3.329 0.020 . 2 . . . . 60 TYR HB2 . 15843 1 721 . 1 1 60 60 TYR HB3 H 1 3.154 0.020 . 2 . . . . 60 TYR HB3 . 15843 1 722 . 1 1 60 60 TYR HD1 H 1 7.071 0.020 . 1 . . . . 60 TYR HD1 . 15843 1 723 . 1 1 60 60 TYR HD2 H 1 7.071 0.020 . 1 . . . . 60 TYR HD2 . 15843 1 724 . 1 1 60 60 TYR HE1 H 1 6.782 0.020 . 1 . . . . 60 TYR HE1 . 15843 1 725 . 1 1 60 60 TYR HE2 H 1 6.782 0.020 . 1 . . . . 60 TYR HE2 . 15843 1 726 . 1 1 60 60 TYR C C 13 171.673 0.400 . 1 . . . . 60 TYR C . 15843 1 727 . 1 1 60 60 TYR CA C 13 55.484 0.400 . 1 . . . . 60 TYR CA . 15843 1 728 . 1 1 60 60 TYR CB C 13 39.502 0.400 . 1 . . . . 60 TYR CB . 15843 1 729 . 1 1 60 60 TYR CD1 C 13 133.311 0.400 . 1 . . . . 60 TYR CD1 . 15843 1 730 . 1 1 60 60 TYR CE1 C 13 118.080 0.400 . 1 . . . . 60 TYR CE1 . 15843 1 731 . 1 1 60 60 TYR N N 15 118.946 0.400 . 1 . . . . 60 TYR N . 15843 1 732 . 1 1 61 61 ALA H H 1 9.176 0.020 . 1 . . . . 61 ALA H . 15843 1 733 . 1 1 61 61 ALA HA H 1 4.116 0.020 . 1 . . . . 61 ALA HA . 15843 1 734 . 1 1 61 61 ALA HB1 H 1 1.278 0.020 . 1 . . . . 61 ALA HB . 15843 1 735 . 1 1 61 61 ALA HB2 H 1 1.278 0.020 . 1 . . . . 61 ALA HB . 15843 1 736 . 1 1 61 61 ALA HB3 H 1 1.278 0.020 . 1 . . . . 61 ALA HB . 15843 1 737 . 1 1 61 61 ALA C C 13 175.825 0.400 . 1 . . . . 61 ALA C . 15843 1 738 . 1 1 61 61 ALA CA C 13 52.809 0.400 . 1 . . . . 61 ALA CA . 15843 1 739 . 1 1 61 61 ALA CB C 13 16.597 0.400 . 1 . . . . 61 ALA CB . 15843 1 740 . 1 1 61 61 ALA N N 15 124.113 0.400 . 1 . . . . 61 ALA N . 15843 1 741 . 1 1 62 62 VAL H H 1 7.968 0.020 . 1 . . . . 62 VAL H . 15843 1 742 . 1 1 62 62 VAL HA H 1 4.300 0.020 . 1 . . . . 62 VAL HA . 15843 1 743 . 1 1 62 62 VAL HB H 1 1.870 0.020 . 1 . . . . 62 VAL HB . 15843 1 744 . 1 1 62 62 VAL HG11 H 1 0.300 0.020 . 1 . . . . 62 VAL HG1 . 15843 1 745 . 1 1 62 62 VAL HG12 H 1 0.300 0.020 . 1 . . . . 62 VAL HG1 . 15843 1 746 . 1 1 62 62 VAL HG13 H 1 0.300 0.020 . 1 . . . . 62 VAL HG1 . 15843 1 747 . 1 1 62 62 VAL HG21 H 1 0.461 0.020 . 1 . . . . 62 VAL HG2 . 15843 1 748 . 1 1 62 62 VAL HG22 H 1 0.461 0.020 . 1 . . . . 62 VAL HG2 . 15843 1 749 . 1 1 62 62 VAL HG23 H 1 0.461 0.020 . 1 . . . . 62 VAL HG2 . 15843 1 750 . 1 1 62 62 VAL C C 13 175.395 0.400 . 1 . . . . 62 VAL C . 15843 1 751 . 1 1 62 62 VAL CA C 13 62.252 0.400 . 1 . . . . 62 VAL CA . 15843 1 752 . 1 1 62 62 VAL CB C 13 31.435 0.400 . 1 . . . . 62 VAL CB . 15843 1 753 . 1 1 62 62 VAL CG1 C 13 20.567 0.400 . 1 . . . . 62 VAL CG1 . 15843 1 754 . 1 1 62 62 VAL CG2 C 13 20.373 0.400 . 1 . . . . 62 VAL CG2 . 15843 1 755 . 1 1 62 62 VAL N N 15 116.561 0.400 . 1 . . . . 62 VAL N . 15843 1 756 . 1 1 63 63 LYS H H 1 9.208 0.020 . 1 . . . . 63 LYS H . 15843 1 757 . 1 1 63 63 LYS HA H 1 4.633 0.020 . 1 . . . . 63 LYS HA . 15843 1 758 . 1 1 63 63 LYS HB2 H 1 1.720 0.020 . 2 . . . . 63 LYS HB2 . 15843 1 759 . 1 1 63 63 LYS HB3 H 1 1.539 0.020 . 2 . . . . 63 LYS HB3 . 15843 1 760 . 1 1 63 63 LYS HD2 H 1 1.610 0.020 . 2 . . . . 63 LYS HD2 . 15843 1 761 . 1 1 63 63 LYS HD3 H 1 1.610 0.020 . 2 . . . . 63 LYS HD3 . 15843 1 762 . 1 1 63 63 LYS HE2 H 1 2.823 0.020 . 2 . . . . 63 LYS HE2 . 15843 1 763 . 1 1 63 63 LYS HE3 H 1 2.823 0.020 . 2 . . . . 63 LYS HE3 . 15843 1 764 . 1 1 63 63 LYS HG2 H 1 1.215 0.020 . 2 . . . . 63 LYS HG2 . 15843 1 765 . 1 1 63 63 LYS HG3 H 1 1.212 0.020 . 2 . . . . 63 LYS HG3 . 15843 1 766 . 1 1 63 63 LYS C C 13 175.238 0.400 . 1 . . . . 63 LYS C . 15843 1 767 . 1 1 63 63 LYS CA C 13 54.729 0.400 . 1 . . . . 63 LYS CA . 15843 1 768 . 1 1 63 63 LYS CB C 13 34.859 0.400 . 1 . . . . 63 LYS CB . 15843 1 769 . 1 1 63 63 LYS CD C 13 28.780 0.400 . 1 . . . . 63 LYS CD . 15843 1 770 . 1 1 63 63 LYS CE C 13 41.780 0.400 . 1 . . . . 63 LYS CE . 15843 1 771 . 1 1 63 63 LYS CG C 13 24.910 0.400 . 1 . . . . 63 LYS CG . 15843 1 772 . 1 1 63 63 LYS N N 15 128.892 0.400 . 1 . . . . 63 LYS N . 15843 1 773 . 1 1 64 64 VAL H H 1 9.588 0.020 . 1 . . . . 64 VAL H . 15843 1 774 . 1 1 64 64 VAL HA H 1 4.345 0.020 . 1 . . . . 64 VAL HA . 15843 1 775 . 1 1 64 64 VAL HB H 1 1.751 0.020 . 1 . . . . 64 VAL HB . 15843 1 776 . 1 1 64 64 VAL HG11 H 1 0.826 0.020 . 1 . . . . 64 VAL HG1 . 15843 1 777 . 1 1 64 64 VAL HG12 H 1 0.826 0.020 . 1 . . . . 64 VAL HG1 . 15843 1 778 . 1 1 64 64 VAL HG13 H 1 0.826 0.020 . 1 . . . . 64 VAL HG1 . 15843 1 779 . 1 1 64 64 VAL HG21 H 1 0.376 0.020 . 1 . . . . 64 VAL HG2 . 15843 1 780 . 1 1 64 64 VAL HG22 H 1 0.376 0.020 . 1 . . . . 64 VAL HG2 . 15843 1 781 . 1 1 64 64 VAL HG23 H 1 0.376 0.020 . 1 . . . . 64 VAL HG2 . 15843 1 782 . 1 1 64 64 VAL C C 13 176.856 0.400 . 1 . . . . 64 VAL C . 15843 1 783 . 1 1 64 64 VAL CA C 13 62.563 0.400 . 1 . . . . 64 VAL CA . 15843 1 784 . 1 1 64 64 VAL CB C 13 30.916 0.400 . 1 . . . . 64 VAL CB . 15843 1 785 . 1 1 64 64 VAL CG1 C 13 21.257 0.400 . 1 . . . . 64 VAL CG1 . 15843 1 786 . 1 1 64 64 VAL CG2 C 13 20.557 0.400 . 1 . . . . 64 VAL CG2 . 15843 1 787 . 1 1 64 64 VAL N N 15 126.595 0.400 . 1 . . . . 64 VAL N . 15843 1 788 . 1 1 65 65 VAL H H 1 8.597 0.020 . 1 . . . . 65 VAL H . 15843 1 789 . 1 1 65 65 VAL HA H 1 4.370 0.020 . 1 . . . . 65 VAL HA . 15843 1 790 . 1 1 65 65 VAL HB H 1 1.973 0.020 . 1 . . . . 65 VAL HB . 15843 1 791 . 1 1 65 65 VAL HG11 H 1 0.840 0.020 . 1 . . . . 65 VAL HG1 . 15843 1 792 . 1 1 65 65 VAL HG12 H 1 0.840 0.020 . 1 . . . . 65 VAL HG1 . 15843 1 793 . 1 1 65 65 VAL HG13 H 1 0.840 0.020 . 1 . . . . 65 VAL HG1 . 15843 1 794 . 1 1 65 65 VAL HG21 H 1 0.759 0.020 . 1 . . . . 65 VAL HG2 . 15843 1 795 . 1 1 65 65 VAL HG22 H 1 0.759 0.020 . 1 . . . . 65 VAL HG2 . 15843 1 796 . 1 1 65 65 VAL HG23 H 1 0.759 0.020 . 1 . . . . 65 VAL HG2 . 15843 1 797 . 1 1 65 65 VAL CA C 13 62.480 0.400 . 1 . . . . 65 VAL CA . 15843 1 798 . 1 1 65 65 VAL CB C 13 32.436 0.400 . 1 . . . . 65 VAL CB . 15843 1 799 . 1 1 65 65 VAL CG1 C 13 20.786 0.400 . 1 . . . . 65 VAL CG1 . 15843 1 800 . 1 1 65 65 VAL CG2 C 13 19.569 0.400 . 1 . . . . 65 VAL CG2 . 15843 1 801 . 1 1 65 65 VAL N N 15 127.945 0.400 . 1 . . . . 65 VAL N . 15843 1 802 . 1 1 66 66 PRO HA H 1 4.385 0.020 . 1 . . . . 66 PRO HA . 15843 1 803 . 1 1 66 66 PRO HB2 H 1 2.213 0.020 . 2 . . . . 66 PRO HB2 . 15843 1 804 . 1 1 66 66 PRO HB3 H 1 1.849 0.020 . 2 . . . . 66 PRO HB3 . 15843 1 805 . 1 1 66 66 PRO HD2 H 1 3.799 0.020 . 2 . . . . 66 PRO HD2 . 15843 1 806 . 1 1 66 66 PRO HD3 H 1 3.589 0.020 . 2 . . . . 66 PRO HD3 . 15843 1 807 . 1 1 66 66 PRO HG2 H 1 1.972 0.020 . 2 . . . . 66 PRO HG2 . 15843 1 808 . 1 1 66 66 PRO HG3 H 1 1.868 0.020 . 2 . . . . 66 PRO HG3 . 15843 1 809 . 1 1 66 66 PRO C C 13 176.627 0.400 . 1 . . . . 66 PRO C . 15843 1 810 . 1 1 66 66 PRO CA C 13 62.511 0.400 . 1 . . . . 66 PRO CA . 15843 1 811 . 1 1 66 66 PRO CB C 13 31.875 0.400 . 1 . . . . 66 PRO CB . 15843 1 812 . 1 1 66 66 PRO CD C 13 50.280 0.400 . 1 . . . . 66 PRO CD . 15843 1 813 . 1 1 66 66 PRO CG C 13 27.140 0.400 . 1 . . . . 66 PRO CG . 15843 1 814 . 1 1 67 67 LEU H H 1 8.236 0.020 . 1 . . . . 67 LEU H . 15843 1 815 . 1 1 67 67 LEU HA H 1 4.181 0.020 . 1 . . . . 67 LEU HA . 15843 1 816 . 1 1 67 67 LEU HB2 H 1 1.550 0.020 . 2 . . . . 67 LEU HB2 . 15843 1 817 . 1 1 67 67 LEU HB3 H 1 1.496 0.020 . 2 . . . . 67 LEU HB3 . 15843 1 818 . 1 1 67 67 LEU HD11 H 1 0.884 0.020 . 1 . . . . 67 LEU HD1 . 15843 1 819 . 1 1 67 67 LEU HD12 H 1 0.884 0.020 . 1 . . . . 67 LEU HD1 . 15843 1 820 . 1 1 67 67 LEU HD13 H 1 0.884 0.020 . 1 . . . . 67 LEU HD1 . 15843 1 821 . 1 1 67 67 LEU HD21 H 1 0.838 0.020 . 1 . . . . 67 LEU HD2 . 15843 1 822 . 1 1 67 67 LEU HD22 H 1 0.838 0.020 . 1 . . . . 67 LEU HD2 . 15843 1 823 . 1 1 67 67 LEU HD23 H 1 0.838 0.020 . 1 . . . . 67 LEU HD2 . 15843 1 824 . 1 1 67 67 LEU HG H 1 1.561 0.020 . 1 . . . . 67 LEU HG . 15843 1 825 . 1 1 67 67 LEU C C 13 177.357 0.400 . 1 . . . . 67 LEU C . 15843 1 826 . 1 1 67 67 LEU CA C 13 55.352 0.400 . 1 . . . . 67 LEU CA . 15843 1 827 . 1 1 67 67 LEU CB C 13 42.355 0.400 . 1 . . . . 67 LEU CB . 15843 1 828 . 1 1 67 67 LEU CD1 C 13 24.730 0.400 . 1 . . . . 67 LEU CD1 . 15843 1 829 . 1 1 67 67 LEU CD2 C 13 23.866 0.400 . 1 . . . . 67 LEU CD2 . 15843 1 830 . 1 1 67 67 LEU CG C 13 26.770 0.400 . 1 . . . . 67 LEU CG . 15843 1 831 . 1 1 67 67 LEU N N 15 122.691 0.400 . 1 . . . . 67 LEU N . 15843 1 832 . 1 1 68 68 GLU H H 1 8.432 0.020 . 1 . . . . 68 GLU H . 15843 1 833 . 1 1 68 68 GLU HA H 1 4.184 0.020 . 1 . . . . 68 GLU HA . 15843 1 834 . 1 1 68 68 GLU HB2 H 1 1.877 0.020 . 2 . . . . 68 GLU HB2 . 15843 1 835 . 1 1 68 68 GLU HB3 H 1 1.825 0.020 . 2 . . . . 68 GLU HB3 . 15843 1 836 . 1 1 68 68 GLU HG2 H 1 2.137 0.020 . 2 . . . . 68 GLU HG2 . 15843 1 837 . 1 1 68 68 GLU HG3 H 1 2.133 0.020 . 2 . . . . 68 GLU HG3 . 15843 1 838 . 1 1 68 68 GLU C C 13 176.054 0.400 . 1 . . . . 68 GLU C . 15843 1 839 . 1 1 68 68 GLU CA C 13 56.250 0.400 . 1 . . . . 68 GLU CA . 15843 1 840 . 1 1 68 68 GLU CB C 13 30.077 0.400 . 1 . . . . 68 GLU CB . 15843 1 841 . 1 1 68 68 GLU CG C 13 35.950 0.400 . 1 . . . . 68 GLU CG . 15843 1 842 . 1 1 68 68 GLU N N 15 121.298 0.400 . 1 . . . . 68 GLU N . 15843 1 843 . 1 1 69 69 HIS H H 1 8.303 0.020 . 1 . . . . 69 HIS H . 15843 1 844 . 1 1 69 69 HIS HA H 1 4.517 0.020 . 1 . . . . 69 HIS HA . 15843 1 845 . 1 1 69 69 HIS HB2 H 1 3.017 0.020 . 2 . . . . 69 HIS HB2 . 15843 1 846 . 1 1 69 69 HIS HB3 H 1 3.082 0.020 . 2 . . . . 69 HIS HB3 . 15843 1 847 . 1 1 69 69 HIS HD2 H 1 7.080 0.020 . 1 . . . . 69 HIS HD2 . 15843 1 848 . 1 1 69 69 HIS HE1 H 1 8.080 0.020 . 1 . . . . 69 HIS HE1 . 15843 1 849 . 1 1 69 69 HIS C C 13 173.863 0.400 . 1 . . . . 69 HIS C . 15843 1 850 . 1 1 69 69 HIS CA C 13 55.663 0.400 . 1 . . . . 69 HIS CA . 15843 1 851 . 1 1 69 69 HIS CB C 13 29.904 0.400 . 1 . . . . 69 HIS CB . 15843 1 852 . 1 1 69 69 HIS CD2 C 13 119.840 0.400 . 1 . . . . 69 HIS CD2 . 15843 1 853 . 1 1 69 69 HIS CE1 C 13 136.050 0.400 . 1 . . . . 69 HIS CE1 . 15843 1 854 . 1 1 69 69 HIS N N 15 119.922 0.400 . 1 . . . . 69 HIS N . 15843 1 stop_ save_