data_18465 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18465 _Entry.Title ; SOLUTION NMR STRUCTURE OF DE NOVO DESIGNED PROTEIN, ROSSMANN 3x1 FOLD, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET OR157 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-05-15 _Entry.Accession_date 2012-05-15 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Gaohua Liu . . . 18465 2 Rie Koga . . . 18465 3 Nobuyasu Koga . . . 18465 4 Rong Xiao . . . 18465 5 Kari Pederson . . . 18465 6 Keith Hamilton . . . 18465 7 Eitan Kohan . . . 18465 8 Thomas Acton . B. . 18465 9 Gregory Kornhaber . . . 18465 10 John Everett . K. . 18465 11 David Baker . . . 18465 12 Gaetano Montelione . T. . 18465 13 NESG 'Northeast Structural Genomics Consortium' . . . 18465 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 PSI:Biology 'Northeast Structural Genomics Consortium' . 18465 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)' . 18465 'Protein NMR' . 18465 'Protein Structure Initiative' . 18465 PSI-Biology . 18465 'Structural Genomics' . 18465 'Target OR157' . 18465 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18465 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 483 18465 '15N chemical shifts' 105 18465 '1H chemical shifts' 800 18465 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 . . 2012-12-12 2012-05-15 update BMRB 'update entry citation' 18465 1 . . 2012-06-11 2012-05-15 original author 'original release' 18465 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LTA 'BMRB Entry Tracking System' 18465 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 18465 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23135467 _Citation.Full_citation . _Citation.Title 'Principles for designing ideal protein structures' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full . _Citation.Journal_volume 491 _Citation.Journal_issue 7423 _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 222 _Citation.Page_last 227 _Citation.Year 2012 _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 Nobuyasu Koga . . . 18465 1 2 Rie Tatsumi-Koga . . . 18465 1 3 Gaohua Liu . . . 18465 1 4 Rong Xiao . . . 18465 1 5 Thomas Acton . B. . 18465 1 6 Gaetano Montelione . T. . 18465 1 7 David Baker . . . 18465 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18465 _Assembly.ID 1 _Assembly.Name OR157 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 OR157 1 $OR157 A . yes native no no . . . 18465 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_OR157 _Entity.Sf_category entity _Entity.Sf_framecode OR157 _Entity.Entry_ID 18465 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name OR157 _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 ; MGSKIIVIISSDDTTLEELA RKIKDEGLEVYILLKDKDEK RLEEKIQKLKSQGFEVRKVK DDDDIDKWIDKIKKERPQLE VRKVTDEDQAKQILEDLKKK GSLEHHHHHH ; _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 110 _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 13065.128 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 2LTA . "Solution Nmr Structure Of De Novo Designed Protein, Rossmann 3x1 Fold, Northeast Structural Genomics Consortium Target Or157" . . . . . 100.00 110 100.00 100.00 1.67e-66 . . . . 18465 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 . 18465 1 2 . GLY . 18465 1 3 . SER . 18465 1 4 . LYS . 18465 1 5 . ILE . 18465 1 6 . ILE . 18465 1 7 . VAL . 18465 1 8 . ILE . 18465 1 9 . ILE . 18465 1 10 . SER . 18465 1 11 . SER . 18465 1 12 . ASP . 18465 1 13 . ASP . 18465 1 14 . THR . 18465 1 15 . THR . 18465 1 16 . LEU . 18465 1 17 . GLU . 18465 1 18 . GLU . 18465 1 19 . LEU . 18465 1 20 . ALA . 18465 1 21 . ARG . 18465 1 22 . LYS . 18465 1 23 . ILE . 18465 1 24 . LYS . 18465 1 25 . ASP . 18465 1 26 . GLU . 18465 1 27 . GLY . 18465 1 28 . LEU . 18465 1 29 . GLU . 18465 1 30 . VAL . 18465 1 31 . TYR . 18465 1 32 . ILE . 18465 1 33 . LEU . 18465 1 34 . LEU . 18465 1 35 . LYS . 18465 1 36 . ASP . 18465 1 37 . LYS . 18465 1 38 . ASP . 18465 1 39 . GLU . 18465 1 40 . LYS . 18465 1 41 . ARG . 18465 1 42 . LEU . 18465 1 43 . GLU . 18465 1 44 . GLU . 18465 1 45 . LYS . 18465 1 46 . ILE . 18465 1 47 . GLN . 18465 1 48 . LYS . 18465 1 49 . LEU . 18465 1 50 . LYS . 18465 1 51 . SER . 18465 1 52 . GLN . 18465 1 53 . GLY . 18465 1 54 . PHE . 18465 1 55 . GLU . 18465 1 56 . VAL . 18465 1 57 . ARG . 18465 1 58 . LYS . 18465 1 59 . VAL . 18465 1 60 . LYS . 18465 1 61 . ASP . 18465 1 62 . ASP . 18465 1 63 . ASP . 18465 1 64 . ASP . 18465 1 65 . ILE . 18465 1 66 . ASP . 18465 1 67 . LYS . 18465 1 68 . TRP . 18465 1 69 . ILE . 18465 1 70 . ASP . 18465 1 71 . LYS . 18465 1 72 . ILE . 18465 1 73 . LYS . 18465 1 74 . LYS . 18465 1 75 . GLU . 18465 1 76 . ARG . 18465 1 77 . PRO . 18465 1 78 . GLN . 18465 1 79 . LEU . 18465 1 80 . GLU . 18465 1 81 . VAL . 18465 1 82 . ARG . 18465 1 83 . LYS . 18465 1 84 . VAL . 18465 1 85 . THR . 18465 1 86 . ASP . 18465 1 87 . GLU . 18465 1 88 . ASP . 18465 1 89 . GLN . 18465 1 90 . ALA . 18465 1 91 . LYS . 18465 1 92 . GLN . 18465 1 93 . ILE . 18465 1 94 . LEU . 18465 1 95 . GLU . 18465 1 96 . ASP . 18465 1 97 . LEU . 18465 1 98 . LYS . 18465 1 99 . LYS . 18465 1 100 . LYS . 18465 1 101 . GLY . 18465 1 102 . SER . 18465 1 103 . LEU . 18465 1 104 . GLU . 18465 1 105 . HIS . 18465 1 106 . HIS . 18465 1 107 . HIS . 18465 1 108 . HIS . 18465 1 109 . HIS . 18465 1 110 . HIS . 18465 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 18465 1 . GLY 2 2 18465 1 . SER 3 3 18465 1 . LYS 4 4 18465 1 . ILE 5 5 18465 1 . ILE 6 6 18465 1 . VAL 7 7 18465 1 . ILE 8 8 18465 1 . ILE 9 9 18465 1 . SER 10 10 18465 1 . SER 11 11 18465 1 . ASP 12 12 18465 1 . ASP 13 13 18465 1 . THR 14 14 18465 1 . THR 15 15 18465 1 . LEU 16 16 18465 1 . GLU 17 17 18465 1 . GLU 18 18 18465 1 . LEU 19 19 18465 1 . ALA 20 20 18465 1 . ARG 21 21 18465 1 . LYS 22 22 18465 1 . ILE 23 23 18465 1 . LYS 24 24 18465 1 . ASP 25 25 18465 1 . GLU 26 26 18465 1 . GLY 27 27 18465 1 . LEU 28 28 18465 1 . GLU 29 29 18465 1 . VAL 30 30 18465 1 . TYR 31 31 18465 1 . ILE 32 32 18465 1 . LEU 33 33 18465 1 . LEU 34 34 18465 1 . LYS 35 35 18465 1 . ASP 36 36 18465 1 . LYS 37 37 18465 1 . ASP 38 38 18465 1 . GLU 39 39 18465 1 . LYS 40 40 18465 1 . ARG 41 41 18465 1 . LEU 42 42 18465 1 . GLU 43 43 18465 1 . GLU 44 44 18465 1 . LYS 45 45 18465 1 . ILE 46 46 18465 1 . GLN 47 47 18465 1 . LYS 48 48 18465 1 . LEU 49 49 18465 1 . LYS 50 50 18465 1 . SER 51 51 18465 1 . GLN 52 52 18465 1 . GLY 53 53 18465 1 . PHE 54 54 18465 1 . GLU 55 55 18465 1 . VAL 56 56 18465 1 . ARG 57 57 18465 1 . LYS 58 58 18465 1 . VAL 59 59 18465 1 . LYS 60 60 18465 1 . ASP 61 61 18465 1 . ASP 62 62 18465 1 . ASP 63 63 18465 1 . ASP 64 64 18465 1 . ILE 65 65 18465 1 . ASP 66 66 18465 1 . LYS 67 67 18465 1 . TRP 68 68 18465 1 . ILE 69 69 18465 1 . ASP 70 70 18465 1 . LYS 71 71 18465 1 . ILE 72 72 18465 1 . LYS 73 73 18465 1 . LYS 74 74 18465 1 . GLU 75 75 18465 1 . ARG 76 76 18465 1 . PRO 77 77 18465 1 . GLN 78 78 18465 1 . LEU 79 79 18465 1 . GLU 80 80 18465 1 . VAL 81 81 18465 1 . ARG 82 82 18465 1 . LYS 83 83 18465 1 . VAL 84 84 18465 1 . THR 85 85 18465 1 . ASP 86 86 18465 1 . GLU 87 87 18465 1 . ASP 88 88 18465 1 . GLN 89 89 18465 1 . ALA 90 90 18465 1 . LYS 91 91 18465 1 . GLN 92 92 18465 1 . ILE 93 93 18465 1 . LEU 94 94 18465 1 . GLU 95 95 18465 1 . ASP 96 96 18465 1 . LEU 97 97 18465 1 . LYS 98 98 18465 1 . LYS 99 99 18465 1 . LYS 100 100 18465 1 . GLY 101 101 18465 1 . SER 102 102 18465 1 . LEU 103 103 18465 1 . GLU 104 104 18465 1 . HIS 105 105 18465 1 . HIS 106 106 18465 1 . HIS 107 107 18465 1 . HIS 108 108 18465 1 . HIS 109 109 18465 1 . HIS 110 110 18465 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 18465 _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 $OR157 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . 'De Novo Designed Protein' . . 18465 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 18465 _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 $OR157 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)pMgK . . . . . . . . . . . . . . . pET29b+ . . . . . . 18465 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_NC _Sample.Sf_category sample _Sample.Sf_framecode sample_NC _Sample.Entry_ID 18465 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.035 mM OR157.004, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 OR157.004 '[U-100% 13C; U-100% 15N]' . . 1 $OR157 . . 1.035 . . mM . . . . 18465 1 2 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 18465 1 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 18465 1 4 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 18465 1 5 'Tris-HCl pH 7.5' 'natural abundance' . . . . . . 10 . . mM . . . . 18465 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18465 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18465 1 stop_ save_ save_sample_NC5 _Sample.Sf_category sample _Sample.Sf_framecode sample_NC5 _Sample.Entry_ID 18465 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.805 mM OR157.006, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 OR157.006 '[U-100% 13C; U-100% 15N]' . . 1 $OR157 . . 0.805 . . mM . . . . 18465 2 2 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 18465 2 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 18465 2 4 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 18465 2 5 'Tris-HCl pH 7.5' 'natural abundance' . . . . . . 10 . . mM . . . . 18465 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18465 2 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18465 2 stop_ save_ save_sample_NC5_RDC _Sample.Sf_category sample _Sample.Sf_framecode sample_NC5_RDC _Sample.Entry_ID 18465 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.805 mM OR157.008, 90% H2O/10% D2O, alignment media: phase or peg/hexanol' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 OR157.006 '[U-100% 13C; U-100% 15N]' . . 1 $OR157 . . 0.805 . . mM . . . . 18465 3 2 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 18465 3 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 18465 3 4 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 18465 3 5 'Tris-HCl pH 7.5' 'natural abundance' . . . . . . 10 . . mM . . . . 18465 3 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18465 3 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18465 3 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 18465 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 . pH 18465 1 pressure 1 . atm 18465 1 temperature 298 . K 18465 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18465 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18465 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinemen,structure solution,geometry optimization' 18465 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18465 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18465 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinement,geometry optimization,structure solution' 18465 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 18465 _Software.ID 3 _Software.Name AutoStruct _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 18465 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,refinement' 18465 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 18465 _Software.ID 4 _Software.Name AutoAssign _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 18465 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,chemical shift assignment' 18465 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18465 _Software.ID 5 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18465 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18465 5 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 18465 _Software.ID 6 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 18465 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,peak picking,chemical shift assignment' 18465 6 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18465 _Software.ID 7 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18465 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18465 7 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18465 _Software.ID 8 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18465 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18465 8 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18465 _Software.ID 9 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18465 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18465 9 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 18465 _Software.ID 10 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Cornilescu, Delaglio and Bax' . . 18465 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18465 10 stop_ save_ save_REDCAT _Software.Sf_category software _Software.Sf_framecode REDCAT _Software.Entry_ID 18465 _Software.ID 11 _Software.Name REDCAT _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Valafar, Prestegard' . . 18465 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18465 11 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 18465 _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, Montelione' . . 18465 12 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 18465 12 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 18465 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18465 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18465 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18465 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . 1 $citations 18465 1 2 spectrometer_2 Varian INOVA . 600 . 1 $citations 18465 1 3 spectrometer_3 Varian INOVA . 600 . . . 18465 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 18465 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' yes . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18465 1 2 '2D 1H-13C HSQC' yes . . . . . . . . . . 2 $sample_NC5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18465 1 3 '3D HNCO' yes . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18465 1 4 '3D CBCA(CO)NH' yes . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18465 1 5 '3D HNCACB' yes . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18465 1 6 '3D 1H-13C arom NOESY' yes . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18465 1 7 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' yes . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18465 1 8 '2D 1H-15N HSQC' yes . . . . . . . . . . 3 $sample_NC5_RDC isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18465 1 9 '3D HBHA(CO)NH' yes . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18465 1 10 '3D HCCH-TOCSY' yes . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18465 1 stop_ save_ save_NMR_spectrometer_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1 _NMR_spec_expt.Entry_ID 18465 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18465/timedomain_data/b8/NHSQC/ . . . . . . . 18465 1 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18465/timedomain_data/b8/NHSQC/ . . . . . . . 18465 1 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18465/timedomain_data/b8/NHSQC/ . . . . . . . 18465 1 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18465/timedomain_data/b8/NHSQC/ . . . . . . . 18465 1 stop_ save_ save_NMR_spectrometer_expt_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_2 _NMR_spec_expt.Entry_ID 18465 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18465/timedomain_data/v6/chsqc_ct28/ . . . . . . . 18465 2 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18465/timedomain_data/v6/chsqc_ct28/ . . . . . . . 18465 2 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18465/timedomain_data/v6/chsqc_ct28/ . . . . . . . 18465 2 stop_ save_ save_NMR_spectrometer_expt_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_3 _NMR_spec_expt.Entry_ID 18465 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18465/timedomain_data/v6/HNCO/ . . . . . . . 18465 3 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18465/timedomain_data/v6/HNCO/ . . . . . . . 18465 3 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18465/timedomain_data/v6/HNCO/ . . . . . . . 18465 3 stop_ save_ save_NMR_spectrometer_expt_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_4 _NMR_spec_expt.Entry_ID 18465 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18465/timedomain_data/v6/CBCAcoNH/ . . . . . . . 18465 4 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18465/timedomain_data/v6/CBCAcoNH/ . . . . . . . 18465 4 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18465/timedomain_data/v6/CBCAcoNH/ . . . . . . . 18465 4 stop_ save_ save_NMR_spectrometer_expt_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_5 _NMR_spec_expt.Entry_ID 18465 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18465/timedomain_data/v6/HNCACB/ . . . . . . . 18465 5 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18465/timedomain_data/v6/HNCACB/ . . . . . . . 18465 5 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18465/timedomain_data/v6/HNCACB/ . . . . . . . 18465 5 stop_ save_ save_NMR_spectrometer_expt_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_6 _NMR_spec_expt.Entry_ID 18465 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D 1H-13C arom NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18465/timedomain_data/b8/aronoesy/ . . . . . . . 18465 6 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18465/timedomain_data/b8/aronoesy/ . . . . . . . 18465 6 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18465/timedomain_data/b8/aronoesy/ . . . . . . . 18465 6 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18465/timedomain_data/b8/aronoesy/ . . . . . . . 18465 6 stop_ save_ save_NMR_spectrometer_expt_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_7 _NMR_spec_expt.Entry_ID 18465 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18465/timedomain_data/b8/simnoesy/ . . . . . . . 18465 7 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18465/timedomain_data/b8/simnoesy/ . . . . . . . 18465 7 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18465/timedomain_data/b8/simnoesy/ . . . . . . . 18465 7 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18465/timedomain_data/b8/simnoesy/ . . . . . . . 18465 7 stop_ save_ save_NMR_spectrometer_expt_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_8 _NMR_spec_expt.Entry_ID 18465 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18465/timedomain_data/v6/NHSQC/ . . . . . . . 18465 8 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18465/timedomain_data/v6/NHSQC/ . . . . . . . 18465 8 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18465/timedomain_data/v6/NHSQC/ . . . . . . . 18465 8 stop_ save_ save_NMR_spectrometer_expt_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_9 _NMR_spec_expt.Entry_ID 18465 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D HBHA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18465/timedomain_data/v6/HBHAcoNH/ . . . . . . . 18465 9 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18465/timedomain_data/v6/HBHAcoNH/ . . . . . . . 18465 9 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18465/timedomain_data/v6/HBHAcoNH/ . . . . . . . 18465 9 stop_ save_ save_NMR_spectrometer_expt_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_10 _NMR_spec_expt.Entry_ID 18465 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18465/timedomain_data/b8/cchtoc/ . . . . . . . 18465 10 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18465/timedomain_data/b8/cchtoc/ . . . . . . . 18465 10 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18465/timedomain_data/b8/cchtoc/ . . . . . . . 18465 10 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18465/timedomain_data/b8/cchtoc/ . . . . . . . 18465 10 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 18465 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'LACS offset: CA/CB/CO: 0.08 ppm; HA: -0.05 ppm' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18465 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18465 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18465 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 18465 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.5 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18465 1 5 '3D HNCACB' . . . 18465 1 7 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' . . . 18465 1 10 '3D HCCH-TOCSY' . . . 18465 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 177.465 0.400 . 1 . . . . 1 MET C . 18465 1 2 . 1 1 2 2 GLY H H 1 8.254 0.020 . 1 . . . . 2 GLY H . 18465 1 3 . 1 1 2 2 GLY HA2 H 1 4.014 0.020 . 2 . . . . 2 GLY HA2 . 18465 1 4 . 1 1 2 2 GLY HA3 H 1 4.012 0.020 . 2 . . . . 2 GLY HA3 . 18465 1 5 . 1 1 2 2 GLY C C 13 174.046 0.400 . 1 . . . . 2 GLY C . 18465 1 6 . 1 1 2 2 GLY CA C 13 45.179 0.400 . 1 . . . . 2 GLY CA . 18465 1 7 . 1 1 2 2 GLY N N 15 108.552 0.400 . 1 . . . . 2 GLY N . 18465 1 8 . 1 1 3 3 SER H H 1 8.096 0.020 . 1 . . . . 3 SER H . 18465 1 9 . 1 1 3 3 SER HA H 1 4.628 0.020 . 1 . . . . 3 SER HA . 18465 1 10 . 1 1 3 3 SER HB2 H 1 3.897 0.020 . 1 . . . . 3 SER HB2 . 18465 1 11 . 1 1 3 3 SER HB3 H 1 3.897 0.020 . 1 . . . . 3 SER HB3 . 18465 1 12 . 1 1 3 3 SER C C 13 173.167 0.400 . 1 . . . . 3 SER C . 18465 1 13 . 1 1 3 3 SER CA C 13 58.280 0.400 . 1 . . . . 3 SER CA . 18465 1 14 . 1 1 3 3 SER CB C 13 63.700 0.400 . 1 . . . . 3 SER CB . 18465 1 15 . 1 1 3 3 SER N N 15 115.200 0.400 . 1 . . . . 3 SER N . 18465 1 16 . 1 1 4 4 LYS H H 1 8.132 0.020 . 1 . . . . 4 LYS H . 18465 1 17 . 1 1 4 4 LYS HA H 1 5.257 0.020 . 1 . . . . 4 LYS HA . 18465 1 18 . 1 1 4 4 LYS HB2 H 1 1.757 0.020 . 2 . . . . 4 LYS HB2 . 18465 1 19 . 1 1 4 4 LYS HB3 H 1 1.651 0.020 . 2 . . . . 4 LYS HB3 . 18465 1 20 . 1 1 4 4 LYS HG2 H 1 1.383 0.020 . 1 . . . . 4 LYS HG2 . 18465 1 21 . 1 1 4 4 LYS HG3 H 1 1.383 0.020 . 1 . . . . 4 LYS HG3 . 18465 1 22 . 1 1 4 4 LYS HD2 H 1 1.540 0.020 . 1 . . . . 4 LYS HD2 . 18465 1 23 . 1 1 4 4 LYS HD3 H 1 1.540 0.020 . 1 . . . . 4 LYS HD3 . 18465 1 24 . 1 1 4 4 LYS HE2 H 1 2.905 0.020 . 1 . . . . 4 LYS HE2 . 18465 1 25 . 1 1 4 4 LYS HE3 H 1 2.906 0.020 . 1 . . . . 4 LYS HE3 . 18465 1 26 . 1 1 4 4 LYS C C 13 174.956 0.400 . 1 . . . . 4 LYS C . 18465 1 27 . 1 1 4 4 LYS CA C 13 54.842 0.400 . 1 . . . . 4 LYS CA . 18465 1 28 . 1 1 4 4 LYS CB C 13 35.737 0.400 . 1 . . . . 4 LYS CB . 18465 1 29 . 1 1 4 4 LYS CG C 13 24.187 0.400 . 1 . . . . 4 LYS CG . 18465 1 30 . 1 1 4 4 LYS CD C 13 29.370 0.400 . 1 . . . . 4 LYS CD . 18465 1 31 . 1 1 4 4 LYS CE C 13 41.634 0.400 . 1 . . . . 4 LYS CE . 18465 1 32 . 1 1 4 4 LYS N N 15 120.946 0.400 . 1 . . . . 4 LYS N . 18465 1 33 . 1 1 5 5 ILE H H 1 8.746 0.020 . 1 . . . . 5 ILE H . 18465 1 34 . 1 1 5 5 ILE HA H 1 4.769 0.020 . 1 . . . . 5 ILE HA . 18465 1 35 . 1 1 5 5 ILE HB H 1 1.768 0.020 . 1 . . . . 5 ILE HB . 18465 1 36 . 1 1 5 5 ILE HG12 H 1 1.488 0.020 . 2 . . . . 5 ILE HG12 . 18465 1 37 . 1 1 5 5 ILE HG13 H 1 1.026 0.020 . 2 . . . . 5 ILE HG13 . 18465 1 38 . 1 1 5 5 ILE HG21 H 1 0.904 0.020 . 1 . . . . 5 ILE HG21 . 18465 1 39 . 1 1 5 5 ILE HG22 H 1 0.904 0.020 . 1 . . . . 5 ILE HG22 . 18465 1 40 . 1 1 5 5 ILE HG23 H 1 0.904 0.020 . 1 . . . . 5 ILE HG23 . 18465 1 41 . 1 1 5 5 ILE HD11 H 1 0.733 0.020 . 1 . . . . 5 ILE HD11 . 18465 1 42 . 1 1 5 5 ILE HD12 H 1 0.733 0.020 . 1 . . . . 5 ILE HD12 . 18465 1 43 . 1 1 5 5 ILE HD13 H 1 0.733 0.020 . 1 . . . . 5 ILE HD13 . 18465 1 44 . 1 1 5 5 ILE C C 13 173.631 0.400 . 1 . . . . 5 ILE C . 18465 1 45 . 1 1 5 5 ILE CA C 13 59.778 0.400 . 1 . . . . 5 ILE CA . 18465 1 46 . 1 1 5 5 ILE CB C 13 40.677 0.400 . 1 . . . . 5 ILE CB . 18465 1 47 . 1 1 5 5 ILE CG1 C 13 27.262 0.400 . 1 . . . . 5 ILE CG1 . 18465 1 48 . 1 1 5 5 ILE CG2 C 13 17.996 0.400 . 1 . . . . 5 ILE CG2 . 18465 1 49 . 1 1 5 5 ILE CD1 C 13 13.949 0.400 . 1 . . . . 5 ILE CD1 . 18465 1 50 . 1 1 5 5 ILE N N 15 119.679 0.400 . 1 . . . . 5 ILE N . 18465 1 51 . 1 1 6 6 ILE H H 1 8.831 0.020 . 1 . . . . 6 ILE H . 18465 1 52 . 1 1 6 6 ILE HA H 1 4.773 0.020 . 1 . . . . 6 ILE HA . 18465 1 53 . 1 1 6 6 ILE HB H 1 2.279 0.020 . 1 . . . . 6 ILE HB . 18465 1 54 . 1 1 6 6 ILE HG12 H 1 1.668 0.020 . 2 . . . . 6 ILE HG12 . 18465 1 55 . 1 1 6 6 ILE HG13 H 1 1.248 0.020 . 2 . . . . 6 ILE HG13 . 18465 1 56 . 1 1 6 6 ILE HG21 H 1 0.897 0.020 . 1 . . . . 6 ILE HG21 . 18465 1 57 . 1 1 6 6 ILE HG22 H 1 0.897 0.020 . 1 . . . . 6 ILE HG22 . 18465 1 58 . 1 1 6 6 ILE HG23 H 1 0.897 0.020 . 1 . . . . 6 ILE HG23 . 18465 1 59 . 1 1 6 6 ILE HD11 H 1 0.717 0.020 . 1 . . . . 6 ILE HD11 . 18465 1 60 . 1 1 6 6 ILE HD12 H 1 0.717 0.020 . 1 . . . . 6 ILE HD12 . 18465 1 61 . 1 1 6 6 ILE HD13 H 1 0.717 0.020 . 1 . . . . 6 ILE HD13 . 18465 1 62 . 1 1 6 6 ILE C C 13 174.050 0.400 . 1 . . . . 6 ILE C . 18465 1 63 . 1 1 6 6 ILE CA C 13 57.496 0.400 . 1 . . . . 6 ILE CA . 18465 1 64 . 1 1 6 6 ILE CB C 13 36.793 0.400 . 1 . . . . 6 ILE CB . 18465 1 65 . 1 1 6 6 ILE CG1 C 13 27.732 0.400 . 1 . . . . 6 ILE CG1 . 18465 1 66 . 1 1 6 6 ILE CG2 C 13 17.604 0.400 . 1 . . . . 6 ILE CG2 . 18465 1 67 . 1 1 6 6 ILE CD1 C 13 9.941 0.400 . 1 . . . . 6 ILE CD1 . 18465 1 68 . 1 1 6 6 ILE N N 15 126.071 0.400 . 1 . . . . 6 ILE N . 18465 1 69 . 1 1 7 7 VAL H H 1 9.005 0.020 . 1 . . . . 7 VAL H . 18465 1 70 . 1 1 7 7 VAL HA H 1 4.777 0.020 . 1 . . . . 7 VAL HA . 18465 1 71 . 1 1 7 7 VAL HB H 1 1.911 0.020 . 1 . . . . 7 VAL HB . 18465 1 72 . 1 1 7 7 VAL HG11 H 1 0.770 0.020 . 2 . . . . 7 VAL HG11 . 18465 1 73 . 1 1 7 7 VAL HG12 H 1 0.770 0.020 . 2 . . . . 7 VAL HG12 . 18465 1 74 . 1 1 7 7 VAL HG13 H 1 0.770 0.020 . 2 . . . . 7 VAL HG13 . 18465 1 75 . 1 1 7 7 VAL HG21 H 1 0.819 0.020 . 2 . . . . 7 VAL HG21 . 18465 1 76 . 1 1 7 7 VAL HG22 H 1 0.819 0.020 . 2 . . . . 7 VAL HG22 . 18465 1 77 . 1 1 7 7 VAL HG23 H 1 0.819 0.020 . 2 . . . . 7 VAL HG23 . 18465 1 78 . 1 1 7 7 VAL C C 13 173.724 0.400 . 1 . . . . 7 VAL C . 18465 1 79 . 1 1 7 7 VAL CA C 13 60.724 0.400 . 1 . . . . 7 VAL CA . 18465 1 80 . 1 1 7 7 VAL CB C 13 32.448 0.400 . 1 . . . . 7 VAL CB . 18465 1 81 . 1 1 7 7 VAL CG1 C 13 21.535 0.400 . 1 . . . . 7 VAL CG1 . 18465 1 82 . 1 1 7 7 VAL CG2 C 13 22.065 0.400 . 1 . . . . 7 VAL CG2 . 18465 1 83 . 1 1 7 7 VAL N N 15 128.001 0.400 . 1 . . . . 7 VAL N . 18465 1 84 . 1 1 8 8 ILE H H 1 9.137 0.020 . 1 . . . . 8 ILE H . 18465 1 85 . 1 1 8 8 ILE HA H 1 4.676 0.020 . 1 . . . . 8 ILE HA . 18465 1 86 . 1 1 8 8 ILE HB H 1 1.817 0.020 . 1 . . . . 8 ILE HB . 18465 1 87 . 1 1 8 8 ILE HG12 H 1 1.400 0.020 . 2 . . . . 8 ILE HG12 . 18465 1 88 . 1 1 8 8 ILE HG13 H 1 1.118 0.020 . 2 . . . . 8 ILE HG13 . 18465 1 89 . 1 1 8 8 ILE HG21 H 1 0.608 0.020 . 1 . . . . 8 ILE HG21 . 18465 1 90 . 1 1 8 8 ILE HG22 H 1 0.608 0.020 . 1 . . . . 8 ILE HG22 . 18465 1 91 . 1 1 8 8 ILE HG23 H 1 0.608 0.020 . 1 . . . . 8 ILE HG23 . 18465 1 92 . 1 1 8 8 ILE HD11 H 1 0.627 0.020 . 1 . . . . 8 ILE HD11 . 18465 1 93 . 1 1 8 8 ILE HD12 H 1 0.627 0.020 . 1 . . . . 8 ILE HD12 . 18465 1 94 . 1 1 8 8 ILE HD13 H 1 0.627 0.020 . 1 . . . . 8 ILE HD13 . 18465 1 95 . 1 1 8 8 ILE C C 13 174.212 0.400 . 1 . . . . 8 ILE C . 18465 1 96 . 1 1 8 8 ILE CA C 13 58.832 0.400 . 1 . . . . 8 ILE CA . 18465 1 97 . 1 1 8 8 ILE CB C 13 38.609 0.400 . 1 . . . . 8 ILE CB . 18465 1 98 . 1 1 8 8 ILE CG1 C 13 27.253 0.400 . 1 . . . . 8 ILE CG1 . 18465 1 99 . 1 1 8 8 ILE CG2 C 13 16.836 0.400 . 1 . . . . 8 ILE CG2 . 18465 1 100 . 1 1 8 8 ILE CD1 C 13 11.485 0.400 . 1 . . . . 8 ILE CD1 . 18465 1 101 . 1 1 8 8 ILE N N 15 128.236 0.400 . 1 . . . . 8 ILE N . 18465 1 102 . 1 1 9 9 ILE H H 1 8.183 0.020 . 1 . . . . 9 ILE H . 18465 1 103 . 1 1 9 9 ILE HA H 1 4.747 0.020 . 1 . . . . 9 ILE HA . 18465 1 104 . 1 1 9 9 ILE HB H 1 1.893 0.020 . 1 . . . . 9 ILE HB . 18465 1 105 . 1 1 9 9 ILE HG12 H 1 1.279 0.020 . 2 . . . . 9 ILE HG12 . 18465 1 106 . 1 1 9 9 ILE HG13 H 1 1.383 0.020 . 2 . . . . 9 ILE HG13 . 18465 1 107 . 1 1 9 9 ILE HG21 H 1 0.806 0.020 . 1 . . . . 9 ILE HG21 . 18465 1 108 . 1 1 9 9 ILE HG22 H 1 0.806 0.020 . 1 . . . . 9 ILE HG22 . 18465 1 109 . 1 1 9 9 ILE HG23 H 1 0.806 0.020 . 1 . . . . 9 ILE HG23 . 18465 1 110 . 1 1 9 9 ILE HD11 H 1 0.791 0.020 . 1 . . . . 9 ILE HD11 . 18465 1 111 . 1 1 9 9 ILE HD12 H 1 0.791 0.020 . 1 . . . . 9 ILE HD12 . 18465 1 112 . 1 1 9 9 ILE HD13 H 1 0.791 0.020 . 1 . . . . 9 ILE HD13 . 18465 1 113 . 1 1 9 9 ILE C C 13 174.792 0.400 . 1 . . . . 9 ILE C . 18465 1 114 . 1 1 9 9 ILE CA C 13 59.294 0.400 . 1 . . . . 9 ILE CA . 18465 1 115 . 1 1 9 9 ILE CB C 13 37.315 0.400 . 1 . . . . 9 ILE CB . 18465 1 116 . 1 1 9 9 ILE CG1 C 13 28.609 0.400 . 1 . . . . 9 ILE CG1 . 18465 1 117 . 1 1 9 9 ILE CG2 C 13 18.170 0.400 . 1 . . . . 9 ILE CG2 . 18465 1 118 . 1 1 9 9 ILE CD1 C 13 14.653 0.400 . 1 . . . . 9 ILE CD1 . 18465 1 119 . 1 1 9 9 ILE N N 15 128.024 0.400 . 1 . . . . 9 ILE N . 18465 1 120 . 1 1 10 10 SER H H 1 8.443 0.020 . 1 . . . . 10 SER H . 18465 1 121 . 1 1 10 10 SER HA H 1 4.723 0.020 . 1 . . . . 10 SER HA . 18465 1 122 . 1 1 10 10 SER HB2 H 1 3.588 0.020 . 2 . . . . 10 SER HB2 . 18465 1 123 . 1 1 10 10 SER HB3 H 1 3.368 0.020 . 2 . . . . 10 SER HB3 . 18465 1 124 . 1 1 10 10 SER C C 13 173.734 0.400 . 1 . . . . 10 SER C . 18465 1 125 . 1 1 10 10 SER CA C 13 56.170 0.400 . 1 . . . . 10 SER CA . 18465 1 126 . 1 1 10 10 SER CB C 13 64.667 0.400 . 1 . . . . 10 SER CB . 18465 1 127 . 1 1 10 10 SER N N 15 119.936 0.400 . 1 . . . . 10 SER N . 18465 1 128 . 1 1 11 11 SER H H 1 8.650 0.020 . 1 . . . . 11 SER H . 18465 1 129 . 1 1 11 11 SER HA H 1 4.890 0.020 . 1 . . . . 11 SER HA . 18465 1 130 . 1 1 11 11 SER HB2 H 1 3.913 0.020 . 2 . . . . 11 SER HB2 . 18465 1 131 . 1 1 11 11 SER HB3 H 1 3.812 0.020 . 2 . . . . 11 SER HB3 . 18465 1 132 . 1 1 11 11 SER C C 13 180.807 0.400 . 1 . . . . 11 SER C . 18465 1 133 . 1 1 11 11 SER CA C 13 56.268 0.400 . 1 . . . . 11 SER CA . 18465 1 134 . 1 1 11 11 SER CB C 13 63.466 0.400 . 1 . . . . 11 SER CB . 18465 1 135 . 1 1 11 11 SER N N 15 122.460 0.400 . 1 . . . . 11 SER N . 18465 1 136 . 1 1 12 12 ASP H H 1 8.608 0.020 . 1 . . . . 12 ASP H . 18465 1 137 . 1 1 12 12 ASP HA H 1 4.224 0.020 . 1 . . . . 12 ASP HA . 18465 1 138 . 1 1 12 12 ASP HB2 H 1 2.895 0.020 . 2 . . . . 12 ASP HB2 . 18465 1 139 . 1 1 12 12 ASP HB3 H 1 2.557 0.020 . 2 . . . . 12 ASP HB3 . 18465 1 140 . 1 1 12 12 ASP C C 13 174.770 0.400 . 1 . . . . 12 ASP C . 18465 1 141 . 1 1 12 12 ASP CA C 13 55.007 0.400 . 1 . . . . 12 ASP CA . 18465 1 142 . 1 1 12 12 ASP CB C 13 40.300 0.400 . 1 . . . . 12 ASP CB . 18465 1 143 . 1 1 12 12 ASP N N 15 121.211 0.400 . 1 . . . . 12 ASP N . 18465 1 144 . 1 1 13 13 ASP H H 1 8.021 0.020 . 1 . . . . 13 ASP H . 18465 1 145 . 1 1 13 13 ASP HA H 1 4.732 0.020 . 1 . . . . 13 ASP HA . 18465 1 146 . 1 1 13 13 ASP HB2 H 1 2.978 0.020 . 2 . . . . 13 ASP HB2 . 18465 1 147 . 1 1 13 13 ASP HB3 H 1 2.518 0.020 . 2 . . . . 13 ASP HB3 . 18465 1 148 . 1 1 13 13 ASP C C 13 175.723 0.400 . 1 . . . . 13 ASP C . 18465 1 149 . 1 1 13 13 ASP CA C 13 53.247 0.400 . 1 . . . . 13 ASP CA . 18465 1 150 . 1 1 13 13 ASP CB C 13 41.313 0.400 . 1 . . . . 13 ASP CB . 18465 1 151 . 1 1 13 13 ASP N N 15 118.932 0.400 . 1 . . . . 13 ASP N . 18465 1 152 . 1 1 14 14 THR H H 1 8.203 0.020 . 1 . . . . 14 THR H . 18465 1 153 . 1 1 14 14 THR HA H 1 4.088 0.020 . 1 . . . . 14 THR HA . 18465 1 154 . 1 1 14 14 THR HB H 1 4.249 0.020 . 1 . . . . 14 THR HB . 18465 1 155 . 1 1 14 14 THR HG21 H 1 1.252 0.020 . 1 . . . . 14 THR HG21 . 18465 1 156 . 1 1 14 14 THR HG22 H 1 1.252 0.020 . 1 . . . . 14 THR HG22 . 18465 1 157 . 1 1 14 14 THR HG23 H 1 1.252 0.020 . 1 . . . . 14 THR HG23 . 18465 1 158 . 1 1 14 14 THR C C 13 175.955 0.400 . 1 . . . . 14 THR C . 18465 1 159 . 1 1 14 14 THR CA C 13 63.998 0.400 . 1 . . . . 14 THR CA . 18465 1 160 . 1 1 14 14 THR CB C 13 69.132 0.400 . 1 . . . . 14 THR CB . 18465 1 161 . 1 1 14 14 THR CG2 C 13 21.722 0.400 . 1 . . . . 14 THR CG2 . 18465 1 162 . 1 1 14 14 THR N N 15 116.913 0.400 . 1 . . . . 14 THR N . 18465 1 163 . 1 1 15 15 THR H H 1 8.394 0.020 . 1 . . . . 15 THR H . 18465 1 164 . 1 1 15 15 THR HA H 1 4.166 0.020 . 1 . . . . 15 THR HA . 18465 1 165 . 1 1 15 15 THR HB H 1 4.277 0.020 . 1 . . . . 15 THR HB . 18465 1 166 . 1 1 15 15 THR HG21 H 1 1.194 0.020 . 1 . . . . 15 THR HG21 . 18465 1 167 . 1 1 15 15 THR HG22 H 1 1.194 0.020 . 1 . . . . 15 THR HG22 . 18465 1 168 . 1 1 15 15 THR HG23 H 1 1.194 0.020 . 1 . . . . 15 THR HG23 . 18465 1 169 . 1 1 15 15 THR C C 13 176.234 0.400 . 1 . . . . 15 THR C . 18465 1 170 . 1 1 15 15 THR CA C 13 64.435 0.400 . 1 . . . . 15 THR CA . 18465 1 171 . 1 1 15 15 THR CB C 13 68.037 0.400 . 1 . . . . 15 THR CB . 18465 1 172 . 1 1 15 15 THR CG2 C 13 21.644 0.400 . 1 . . . . 15 THR CG2 . 18465 1 173 . 1 1 15 15 THR N N 15 118.111 0.400 . 1 . . . . 15 THR N . 18465 1 174 . 1 1 16 16 LEU H H 1 7.990 0.020 . 1 . . . . 16 LEU H . 18465 1 175 . 1 1 16 16 LEU HA H 1 4.055 0.020 . 1 . . . . 16 LEU HA . 18465 1 176 . 1 1 16 16 LEU HB2 H 1 1.577 0.020 . 2 . . . . 16 LEU HB2 . 18465 1 177 . 1 1 16 16 LEU HB3 H 1 1.542 0.020 . 2 . . . . 16 LEU HB3 . 18465 1 178 . 1 1 16 16 LEU HG H 1 1.470 0.020 . 1 . . . . 16 LEU HG . 18465 1 179 . 1 1 16 16 LEU HD11 H 1 0.684 0.020 . 2 . . . . 16 LEU HD11 . 18465 1 180 . 1 1 16 16 LEU HD12 H 1 0.684 0.020 . 2 . . . . 16 LEU HD12 . 18465 1 181 . 1 1 16 16 LEU HD13 H 1 0.684 0.020 . 2 . . . . 16 LEU HD13 . 18465 1 182 . 1 1 16 16 LEU HD21 H 1 0.703 0.020 . 2 . . . . 16 LEU HD21 . 18465 1 183 . 1 1 16 16 LEU HD22 H 1 0.703 0.020 . 2 . . . . 16 LEU HD22 . 18465 1 184 . 1 1 16 16 LEU HD23 H 1 0.703 0.020 . 2 . . . . 16 LEU HD23 . 18465 1 185 . 1 1 16 16 LEU C C 13 177.977 0.400 . 1 . . . . 16 LEU C . 18465 1 186 . 1 1 16 16 LEU CA C 13 56.898 0.400 . 1 . . . . 16 LEU CA . 18465 1 187 . 1 1 16 16 LEU CB C 13 41.318 0.400 . 1 . . . . 16 LEU CB . 18465 1 188 . 1 1 16 16 LEU CG C 13 26.481 0.400 . 1 . . . . 16 LEU CG . 18465 1 189 . 1 1 16 16 LEU CD1 C 13 24.160 0.400 . 1 . . . . 16 LEU CD1 . 18465 1 190 . 1 1 16 16 LEU CD2 C 13 24.433 0.400 . 1 . . . . 16 LEU CD2 . 18465 1 191 . 1 1 16 16 LEU N N 15 122.624 0.400 . 1 . . . . 16 LEU N . 18465 1 192 . 1 1 17 17 GLU H H 1 8.072 0.020 . 1 . . . . 17 GLU H . 18465 1 193 . 1 1 17 17 GLU HA H 1 3.543 0.020 . 1 . . . . 17 GLU HA . 18465 1 194 . 1 1 17 17 GLU HB2 H 1 1.851 0.020 . 2 . . . . 17 GLU HB2 . 18465 1 195 . 1 1 17 17 GLU HB3 H 1 2.040 0.020 . 2 . . . . 17 GLU HB3 . 18465 1 196 . 1 1 17 17 GLU HG2 H 1 1.919 0.020 . 2 . . . . 17 GLU HG2 . 18465 1 197 . 1 1 17 17 GLU HG3 H 1 2.231 0.020 . 2 . . . . 17 GLU HG3 . 18465 1 198 . 1 1 17 17 GLU C C 13 178.279 0.400 . 1 . . . . 17 GLU C . 18465 1 199 . 1 1 17 17 GLU CA C 13 59.835 0.400 . 1 . . . . 17 GLU CA . 18465 1 200 . 1 1 17 17 GLU CB C 13 28.637 0.400 . 1 . . . . 17 GLU CB . 18465 1 201 . 1 1 17 17 GLU CG C 13 36.201 0.400 . 1 . . . . 17 GLU CG . 18465 1 202 . 1 1 17 17 GLU N N 15 118.449 0.400 . 1 . . . . 17 GLU N . 18465 1 203 . 1 1 18 18 GLU H H 1 8.065 0.020 . 1 . . . . 18 GLU H . 18465 1 204 . 1 1 18 18 GLU HA H 1 4.182 0.020 . 1 . . . . 18 GLU HA . 18465 1 205 . 1 1 18 18 GLU HB2 H 1 2.187 0.020 . 2 . . . . 18 GLU HB2 . 18465 1 206 . 1 1 18 18 GLU HB3 H 1 2.098 0.020 . 2 . . . . 18 GLU HB3 . 18465 1 207 . 1 1 18 18 GLU HG2 H 1 2.306 0.020 . 2 . . . . 18 GLU HG2 . 18465 1 208 . 1 1 18 18 GLU HG3 H 1 2.348 0.020 . 2 . . . . 18 GLU HG3 . 18465 1 209 . 1 1 18 18 GLU C C 13 179.671 0.400 . 1 . . . . 18 GLU C . 18465 1 210 . 1 1 18 18 GLU CA C 13 58.824 0.400 . 1 . . . . 18 GLU CA . 18465 1 211 . 1 1 18 18 GLU CB C 13 28.972 0.400 . 1 . . . . 18 GLU CB . 18465 1 212 . 1 1 18 18 GLU CG C 13 35.772 0.400 . 1 . . . . 18 GLU CG . 18465 1 213 . 1 1 18 18 GLU N N 15 119.814 0.400 . 1 . . . . 18 GLU N . 18465 1 214 . 1 1 19 19 LEU H H 1 7.999 0.020 . 1 . . . . 19 LEU H . 18465 1 215 . 1 1 19 19 LEU HA H 1 4.038 0.020 . 1 . . . . 19 LEU HA . 18465 1 216 . 1 1 19 19 LEU HB2 H 1 1.885 0.020 . 2 . . . . 19 LEU HB2 . 18465 1 217 . 1 1 19 19 LEU HB3 H 1 1.226 0.020 . 2 . . . . 19 LEU HB3 . 18465 1 218 . 1 1 19 19 LEU HG H 1 1.835 0.020 . 1 . . . . 19 LEU HG . 18465 1 219 . 1 1 19 19 LEU HD11 H 1 0.963 0.020 . 2 . . . . 19 LEU HD11 . 18465 1 220 . 1 1 19 19 LEU HD12 H 1 0.963 0.020 . 2 . . . . 19 LEU HD12 . 18465 1 221 . 1 1 19 19 LEU HD13 H 1 0.963 0.020 . 2 . . . . 19 LEU HD13 . 18465 1 222 . 1 1 19 19 LEU HD21 H 1 0.842 0.020 . 2 . . . . 19 LEU HD21 . 18465 1 223 . 1 1 19 19 LEU HD22 H 1 0.842 0.020 . 2 . . . . 19 LEU HD22 . 18465 1 224 . 1 1 19 19 LEU HD23 H 1 0.842 0.020 . 2 . . . . 19 LEU HD23 . 18465 1 225 . 1 1 19 19 LEU C C 13 178.558 0.400 . 1 . . . . 19 LEU C . 18465 1 226 . 1 1 19 19 LEU CA C 13 57.938 0.400 . 1 . . . . 19 LEU CA . 18465 1 227 . 1 1 19 19 LEU CB C 13 41.515 0.400 . 1 . . . . 19 LEU CB . 18465 1 228 . 1 1 19 19 LEU CG C 13 27.073 0.400 . 1 . . . . 19 LEU CG . 18465 1 229 . 1 1 19 19 LEU CD1 C 13 27.030 0.400 . 1 . . . . 19 LEU CD1 . 18465 1 230 . 1 1 19 19 LEU CD2 C 13 23.296 0.400 . 1 . . . . 19 LEU CD2 . 18465 1 231 . 1 1 19 19 LEU N N 15 120.769 0.400 . 1 . . . . 19 LEU N . 18465 1 232 . 1 1 20 20 ALA H H 1 8.526 0.020 . 1 . . . . 20 ALA H . 18465 1 233 . 1 1 20 20 ALA HA H 1 3.813 0.020 . 1 . . . . 20 ALA HA . 18465 1 234 . 1 1 20 20 ALA HB1 H 1 1.333 0.020 . 1 . . . . 20 ALA HB1 . 18465 1 235 . 1 1 20 20 ALA HB2 H 1 1.333 0.020 . 1 . . . . 20 ALA HB2 . 18465 1 236 . 1 1 20 20 ALA HB3 H 1 1.333 0.020 . 1 . . . . 20 ALA HB3 . 18465 1 237 . 1 1 20 20 ALA C C 13 177.398 0.400 . 1 . . . . 20 ALA C . 18465 1 238 . 1 1 20 20 ALA CA C 13 55.130 0.400 . 1 . . . . 20 ALA CA . 18465 1 239 . 1 1 20 20 ALA CB C 13 18.206 0.400 . 1 . . . . 20 ALA CB . 18465 1 240 . 1 1 20 20 ALA N N 15 120.783 0.400 . 1 . . . . 20 ALA N . 18465 1 241 . 1 1 21 21 ARG H H 1 7.737 0.020 . 1 . . . . 21 ARG H . 18465 1 242 . 1 1 21 21 ARG HA H 1 4.104 0.020 . 1 . . . . 21 ARG HA . 18465 1 243 . 1 1 21 21 ARG HB2 H 1 2.217 0.020 . 2 . . . . 21 ARG HB2 . 18465 1 244 . 1 1 21 21 ARG HB3 H 1 2.137 0.020 . 2 . . . . 21 ARG HB3 . 18465 1 245 . 1 1 21 21 ARG HG2 H 1 1.863 0.020 . 2 . . . . 21 ARG HG2 . 18465 1 246 . 1 1 21 21 ARG HG3 H 1 1.791 0.020 . 2 . . . . 21 ARG HG3 . 18465 1 247 . 1 1 21 21 ARG HD2 H 1 3.285 0.020 . 1 . . . . 21 ARG HD2 . 18465 1 248 . 1 1 21 21 ARG HD3 H 1 3.285 0.020 . 1 . . . . 21 ARG HD3 . 18465 1 249 . 1 1 21 21 ARG C C 13 177.516 0.400 . 1 . . . . 21 ARG C . 18465 1 250 . 1 1 21 21 ARG CA C 13 59.744 0.400 . 1 . . . . 21 ARG CA . 18465 1 251 . 1 1 21 21 ARG CB C 13 29.997 0.400 . 1 . . . . 21 ARG CB . 18465 1 252 . 1 1 21 21 ARG CG C 13 27.828 0.400 . 1 . . . . 21 ARG CG . 18465 1 253 . 1 1 21 21 ARG CD C 13 43.152 0.400 . 1 . . . . 21 ARG CD . 18465 1 254 . 1 1 21 21 ARG N N 15 117.239 0.400 . 1 . . . . 21 ARG N . 18465 1 255 . 1 1 22 22 LYS H H 1 7.652 0.020 . 1 . . . . 22 LYS H . 18465 1 256 . 1 1 22 22 LYS HA H 1 4.138 0.020 . 1 . . . . 22 LYS HA . 18465 1 257 . 1 1 22 22 LYS HB2 H 1 1.941 0.020 . 2 . . . . 22 LYS HB2 . 18465 1 258 . 1 1 22 22 LYS HB3 H 1 2.098 0.020 . 2 . . . . 22 LYS HB3 . 18465 1 259 . 1 1 22 22 LYS HG2 H 1 1.565 0.020 . 2 . . . . 22 LYS HG2 . 18465 1 260 . 1 1 22 22 LYS HG3 H 1 1.567 0.020 . 2 . . . . 22 LYS HG3 . 18465 1 261 . 1 1 22 22 LYS HD2 H 1 1.735 0.020 . 2 . . . . 22 LYS HD2 . 18465 1 262 . 1 1 22 22 LYS HD3 H 1 1.724 0.020 . 2 . . . . 22 LYS HD3 . 18465 1 263 . 1 1 22 22 LYS HE2 H 1 2.989 0.020 . 1 . . . . 22 LYS HE2 . 18465 1 264 . 1 1 22 22 LYS HE3 H 1 2.989 0.020 . 1 . . . . 22 LYS HE3 . 18465 1 265 . 1 1 22 22 LYS C C 13 178.966 0.400 . 1 . . . . 22 LYS C . 18465 1 266 . 1 1 22 22 LYS CA C 13 59.163 0.400 . 1 . . . . 22 LYS CA . 18465 1 267 . 1 1 22 22 LYS CB C 13 32.418 0.400 . 1 . . . . 22 LYS CB . 18465 1 268 . 1 1 22 22 LYS CG C 13 25.714 0.400 . 1 . . . . 22 LYS CG . 18465 1 269 . 1 1 22 22 LYS CD C 13 28.996 0.400 . 1 . . . . 22 LYS CD . 18465 1 270 . 1 1 22 22 LYS CE C 13 41.780 0.400 . 1 . . . . 22 LYS CE . 18465 1 271 . 1 1 22 22 LYS N N 15 118.400 0.400 . 1 . . . . 22 LYS N . 18465 1 272 . 1 1 23 23 ILE H H 1 8.266 0.020 . 1 . . . . 23 ILE H . 18465 1 273 . 1 1 23 23 ILE HA H 1 3.432 0.020 . 1 . . . . 23 ILE HA . 18465 1 274 . 1 1 23 23 ILE HB H 1 1.900 0.020 . 1 . . . . 23 ILE HB . 18465 1 275 . 1 1 23 23 ILE HG12 H 1 1.977 0.020 . 2 . . . . 23 ILE HG12 . 18465 1 276 . 1 1 23 23 ILE HG13 H 1 0.693 0.020 . 2 . . . . 23 ILE HG13 . 18465 1 277 . 1 1 23 23 ILE HG21 H 1 0.814 0.020 . 1 . . . . 23 ILE HG21 . 18465 1 278 . 1 1 23 23 ILE HG22 H 1 0.814 0.020 . 1 . . . . 23 ILE HG22 . 18465 1 279 . 1 1 23 23 ILE HG23 H 1 0.814 0.020 . 1 . . . . 23 ILE HG23 . 18465 1 280 . 1 1 23 23 ILE HD11 H 1 0.832 0.020 . 1 . . . . 23 ILE HD11 . 18465 1 281 . 1 1 23 23 ILE HD12 H 1 0.832 0.020 . 1 . . . . 23 ILE HD12 . 18465 1 282 . 1 1 23 23 ILE HD13 H 1 0.832 0.020 . 1 . . . . 23 ILE HD13 . 18465 1 283 . 1 1 23 23 ILE C C 13 177.326 0.400 . 1 . . . . 23 ILE C . 18465 1 284 . 1 1 23 23 ILE CA C 13 65.937 0.400 . 1 . . . . 23 ILE CA . 18465 1 285 . 1 1 23 23 ILE CB C 13 38.223 0.400 . 1 . . . . 23 ILE CB . 18465 1 286 . 1 1 23 23 ILE CG1 C 13 30.340 0.400 . 1 . . . . 23 ILE CG1 . 18465 1 287 . 1 1 23 23 ILE CG2 C 13 19.183 0.400 . 1 . . . . 23 ILE CG2 . 18465 1 288 . 1 1 23 23 ILE CD1 C 13 12.936 0.400 . 1 . . . . 23 ILE CD1 . 18465 1 289 . 1 1 23 23 ILE N N 15 119.341 0.400 . 1 . . . . 23 ILE N . 18465 1 290 . 1 1 24 24 LYS H H 1 8.315 0.020 . 1 . . . . 24 LYS H . 18465 1 291 . 1 1 24 24 LYS HA H 1 4.467 0.020 . 1 . . . . 24 LYS HA . 18465 1 292 . 1 1 24 24 LYS HB2 H 1 2.066 0.020 . 2 . . . . 24 LYS HB2 . 18465 1 293 . 1 1 24 24 LYS HB3 H 1 1.749 0.020 . 2 . . . . 24 LYS HB3 . 18465 1 294 . 1 1 24 24 LYS HG2 H 1 1.561 0.020 . 2 . . . . 24 LYS HG2 . 18465 1 295 . 1 1 24 24 LYS HG3 H 1 1.354 0.020 . 2 . . . . 24 LYS HG3 . 18465 1 296 . 1 1 24 24 LYS HD2 H 1 1.401 0.020 . 2 . . . . 24 LYS HD2 . 18465 1 297 . 1 1 24 24 LYS HD3 H 1 1.071 0.020 . 2 . . . . 24 LYS HD3 . 18465 1 298 . 1 1 24 24 LYS HE2 H 1 2.546 0.020 . 2 . . . . 24 LYS HE2 . 18465 1 299 . 1 1 24 24 LYS HE3 H 1 2.399 0.020 . 2 . . . . 24 LYS HE3 . 18465 1 300 . 1 1 24 24 LYS C C 13 180.812 0.400 . 1 . . . . 24 LYS C . 18465 1 301 . 1 1 24 24 LYS CA C 13 58.742 0.400 . 1 . . . . 24 LYS CA . 18465 1 302 . 1 1 24 24 LYS CB C 13 31.930 0.400 . 1 . . . . 24 LYS CB . 18465 1 303 . 1 1 24 24 LYS CG C 13 23.521 0.400 . 1 . . . . 24 LYS CG . 18465 1 304 . 1 1 24 24 LYS CD C 13 28.923 0.400 . 1 . . . . 24 LYS CD . 18465 1 305 . 1 1 24 24 LYS CE C 13 40.827 0.400 . 1 . . . . 24 LYS CE . 18465 1 306 . 1 1 24 24 LYS N N 15 121.849 0.400 . 1 . . . . 24 LYS N . 18465 1 307 . 1 1 25 25 ASP H H 1 8.523 0.020 . 1 . . . . 25 ASP H . 18465 1 308 . 1 1 25 25 ASP HA H 1 4.474 0.020 . 1 . . . . 25 ASP HA . 18465 1 309 . 1 1 25 25 ASP HB2 H 1 2.899 0.020 . 2 . . . . 25 ASP HB2 . 18465 1 310 . 1 1 25 25 ASP HB3 H 1 2.723 0.020 . 2 . . . . 25 ASP HB3 . 18465 1 311 . 1 1 25 25 ASP C C 13 177.837 0.400 . 1 . . . . 25 ASP C . 18465 1 312 . 1 1 25 25 ASP CA C 13 56.628 0.400 . 1 . . . . 25 ASP CA . 18465 1 313 . 1 1 25 25 ASP CB C 13 39.736 0.400 . 1 . . . . 25 ASP CB . 18465 1 314 . 1 1 25 25 ASP N N 15 120.765 0.400 . 1 . . . . 25 ASP N . 18465 1 315 . 1 1 26 26 GLU H H 1 7.549 0.020 . 1 . . . . 26 GLU H . 18465 1 316 . 1 1 26 26 GLU HA H 1 4.375 0.020 . 1 . . . . 26 GLU HA . 18465 1 317 . 1 1 26 26 GLU HB2 H 1 2.401 0.020 . 2 . . . . 26 GLU HB2 . 18465 1 318 . 1 1 26 26 GLU HB3 H 1 2.040 0.020 . 2 . . . . 26 GLU HB3 . 18465 1 319 . 1 1 26 26 GLU HG2 H 1 2.204 0.020 . 2 . . . . 26 GLU HG2 . 18465 1 320 . 1 1 26 26 GLU HG3 H 1 2.488 0.020 . 2 . . . . 26 GLU HG3 . 18465 1 321 . 1 1 26 26 GLU C C 13 176.792 0.400 . 1 . . . . 26 GLU C . 18465 1 322 . 1 1 26 26 GLU CA C 13 55.920 0.400 . 1 . . . . 26 GLU CA . 18465 1 323 . 1 1 26 26 GLU CB C 13 29.378 0.400 . 1 . . . . 26 GLU CB . 18465 1 324 . 1 1 26 26 GLU CG C 13 34.933 0.400 . 1 . . . . 26 GLU CG . 18465 1 325 . 1 1 26 26 GLU N N 15 117.635 0.400 . 1 . . . . 26 GLU N . 18465 1 326 . 1 1 27 27 GLY H H 1 8.153 0.020 . 1 . . . . 27 GLY H . 18465 1 327 . 1 1 27 27 GLY HA2 H 1 3.772 0.020 . 2 . . . . 27 GLY HA2 . 18465 1 328 . 1 1 27 27 GLY HA3 H 1 4.345 0.020 . 2 . . . . 27 GLY HA3 . 18465 1 329 . 1 1 27 27 GLY C C 13 174.212 0.400 . 1 . . . . 27 GLY C . 18465 1 330 . 1 1 27 27 GLY CA C 13 45.095 0.400 . 1 . . . . 27 GLY CA . 18465 1 331 . 1 1 27 27 GLY N N 15 105.695 0.400 . 1 . . . . 27 GLY N . 18465 1 332 . 1 1 28 28 LEU H H 1 6.890 0.020 . 1 . . . . 28 LEU H . 18465 1 333 . 1 1 28 28 LEU HA H 1 4.666 0.020 . 1 . . . . 28 LEU HA . 18465 1 334 . 1 1 28 28 LEU HB2 H 1 1.440 0.020 . 2 . . . . 28 LEU HB2 . 18465 1 335 . 1 1 28 28 LEU HB3 H 1 1.443 0.020 . 2 . . . . 28 LEU HB3 . 18465 1 336 . 1 1 28 28 LEU HG H 1 1.641 0.020 . 1 . . . . 28 LEU HG . 18465 1 337 . 1 1 28 28 LEU HD11 H 1 0.845 0.020 . 2 . . . . 28 LEU HD11 . 18465 1 338 . 1 1 28 28 LEU HD12 H 1 0.845 0.020 . 2 . . . . 28 LEU HD12 . 18465 1 339 . 1 1 28 28 LEU HD13 H 1 0.845 0.020 . 2 . . . . 28 LEU HD13 . 18465 1 340 . 1 1 28 28 LEU HD21 H 1 0.895 0.020 . 2 . . . . 28 LEU HD21 . 18465 1 341 . 1 1 28 28 LEU HD22 H 1 0.895 0.020 . 2 . . . . 28 LEU HD22 . 18465 1 342 . 1 1 28 28 LEU HD23 H 1 0.895 0.020 . 2 . . . . 28 LEU HD23 . 18465 1 343 . 1 1 28 28 LEU C C 13 175.607 0.400 . 1 . . . . 28 LEU C . 18465 1 344 . 1 1 28 28 LEU CA C 13 53.705 0.400 . 1 . . . . 28 LEU CA . 18465 1 345 . 1 1 28 28 LEU CB C 13 42.042 0.400 . 1 . . . . 28 LEU CB . 18465 1 346 . 1 1 28 28 LEU CG C 13 28.051 0.400 . 1 . . . . 28 LEU CG . 18465 1 347 . 1 1 28 28 LEU CD1 C 13 25.770 0.400 . 1 . . . . 28 LEU CD1 . 18465 1 348 . 1 1 28 28 LEU CD2 C 13 23.828 0.400 . 1 . . . . 28 LEU CD2 . 18465 1 349 . 1 1 28 28 LEU N N 15 120.256 0.400 . 1 . . . . 28 LEU N . 18465 1 350 . 1 1 29 29 GLU H H 1 8.524 0.020 . 1 . . . . 29 GLU H . 18465 1 351 . 1 1 29 29 GLU HA H 1 4.305 0.020 . 1 . . . . 29 GLU HA . 18465 1 352 . 1 1 29 29 GLU HB2 H 1 2.190 0.020 . 2 . . . . 29 GLU HB2 . 18465 1 353 . 1 1 29 29 GLU HB3 H 1 2.097 0.020 . 2 . . . . 29 GLU HB3 . 18465 1 354 . 1 1 29 29 GLU HG2 H 1 2.381 0.020 . 2 . . . . 29 GLU HG2 . 18465 1 355 . 1 1 29 29 GLU HG3 H 1 2.240 0.020 . 2 . . . . 29 GLU HG3 . 18465 1 356 . 1 1 29 29 GLU C C 13 174.631 0.400 . 1 . . . . 29 GLU C . 18465 1 357 . 1 1 29 29 GLU CA C 13 56.663 0.400 . 1 . . . . 29 GLU CA . 18465 1 358 . 1 1 29 29 GLU CB C 13 30.349 0.400 . 1 . . . . 29 GLU CB . 18465 1 359 . 1 1 29 29 GLU CG C 13 36.402 0.400 . 1 . . . . 29 GLU CG . 18465 1 360 . 1 1 29 29 GLU N N 15 122.913 0.400 . 1 . . . . 29 GLU N . 18465 1 361 . 1 1 30 30 VAL H H 1 8.083 0.020 . 1 . . . . 30 VAL H . 18465 1 362 . 1 1 30 30 VAL HA H 1 5.328 0.020 . 1 . . . . 30 VAL HA . 18465 1 363 . 1 1 30 30 VAL HB H 1 1.981 0.020 . 1 . . . . 30 VAL HB . 18465 1 364 . 1 1 30 30 VAL HG11 H 1 0.959 0.020 . 2 . . . . 30 VAL HG11 . 18465 1 365 . 1 1 30 30 VAL HG12 H 1 0.959 0.020 . 2 . . . . 30 VAL HG12 . 18465 1 366 . 1 1 30 30 VAL HG13 H 1 0.959 0.020 . 2 . . . . 30 VAL HG13 . 18465 1 367 . 1 1 30 30 VAL HG21 H 1 0.958 0.020 . 2 . . . . 30 VAL HG21 . 18465 1 368 . 1 1 30 30 VAL HG22 H 1 0.958 0.020 . 2 . . . . 30 VAL HG22 . 18465 1 369 . 1 1 30 30 VAL HG23 H 1 0.958 0.020 . 2 . . . . 30 VAL HG23 . 18465 1 370 . 1 1 30 30 VAL C C 13 174.910 0.400 . 1 . . . . 30 VAL C . 18465 1 371 . 1 1 30 30 VAL CA C 13 60.335 0.400 . 1 . . . . 30 VAL CA . 18465 1 372 . 1 1 30 30 VAL CB C 13 35.278 0.400 . 1 . . . . 30 VAL CB . 18465 1 373 . 1 1 30 30 VAL CG1 C 13 21.748 0.400 . 1 . . . . 30 VAL CG1 . 18465 1 374 . 1 1 30 30 VAL CG2 C 13 21.441 0.400 . 1 . . . . 30 VAL CG2 . 18465 1 375 . 1 1 30 30 VAL N N 15 124.186 0.400 . 1 . . . . 30 VAL N . 18465 1 376 . 1 1 31 31 TYR H H 1 9.210 0.020 . 1 . . . . 31 TYR H . 18465 1 377 . 1 1 31 31 TYR HA H 1 5.126 0.020 . 1 . . . . 31 TYR HA . 18465 1 378 . 1 1 31 31 TYR HB2 H 1 2.537 0.020 . 2 . . . . 31 TYR HB2 . 18465 1 379 . 1 1 31 31 TYR HB3 H 1 2.827 0.020 . 2 . . . . 31 TYR HB3 . 18465 1 380 . 1 1 31 31 TYR HD1 H 1 6.883 0.020 . 1 . . . . 31 TYR HD1 . 18465 1 381 . 1 1 31 31 TYR HD2 H 1 6.883 0.020 . 1 . . . . 31 TYR HD2 . 18465 1 382 . 1 1 31 31 TYR HE1 H 1 6.752 0.020 . 1 . . . . 31 TYR HE1 . 18465 1 383 . 1 1 31 31 TYR HE2 H 1 6.752 0.020 . 1 . . . . 31 TYR HE2 . 18465 1 384 . 1 1 31 31 TYR C C 13 174.459 0.400 . 1 . . . . 31 TYR C . 18465 1 385 . 1 1 31 31 TYR CA C 13 55.844 0.400 . 1 . . . . 31 TYR CA . 18465 1 386 . 1 1 31 31 TYR CB C 13 42.119 0.400 . 1 . . . . 31 TYR CB . 18465 1 387 . 1 1 31 31 TYR CD1 C 13 132.477 0.400 . 1 . . . . 31 TYR CD1 . 18465 1 388 . 1 1 31 31 TYR CD2 C 13 132.715 0.400 . 1 . . . . 31 TYR CD2 . 18465 1 389 . 1 1 31 31 TYR CE1 C 13 118.184 0.400 . 1 . . . . 31 TYR CE1 . 18465 1 390 . 1 1 31 31 TYR CE2 C 13 117.949 0.400 . 1 . . . . 31 TYR CE2 . 18465 1 391 . 1 1 31 31 TYR N N 15 127.947 0.400 . 1 . . . . 31 TYR N . 18465 1 392 . 1 1 32 32 ILE H H 1 8.730 0.020 . 1 . . . . 32 ILE H . 18465 1 393 . 1 1 32 32 ILE HA H 1 4.793 0.020 . 1 . . . . 32 ILE HA . 18465 1 394 . 1 1 32 32 ILE HB H 1 1.539 0.020 . 1 . . . . 32 ILE HB . 18465 1 395 . 1 1 32 32 ILE HG12 H 1 0.592 0.020 . 2 . . . . 32 ILE HG12 . 18465 1 396 . 1 1 32 32 ILE HG13 H 1 1.086 0.020 . 2 . . . . 32 ILE HG13 . 18465 1 397 . 1 1 32 32 ILE HG21 H 1 0.575 0.020 . 1 . . . . 32 ILE HG21 . 18465 1 398 . 1 1 32 32 ILE HG22 H 1 0.575 0.020 . 1 . . . . 32 ILE HG22 . 18465 1 399 . 1 1 32 32 ILE HG23 H 1 0.575 0.020 . 1 . . . . 32 ILE HG23 . 18465 1 400 . 1 1 32 32 ILE HD11 H 1 -0.088 0.020 . 1 . . . . 32 ILE HD11 . 18465 1 401 . 1 1 32 32 ILE HD12 H 1 -0.088 0.020 . 1 . . . . 32 ILE HD12 . 18465 1 402 . 1 1 32 32 ILE HD13 H 1 -0.088 0.020 . 1 . . . . 32 ILE HD13 . 18465 1 403 . 1 1 32 32 ILE C C 13 173.519 0.400 . 1 . . . . 32 ILE C . 18465 1 404 . 1 1 32 32 ILE CA C 13 59.508 0.400 . 1 . . . . 32 ILE CA . 18465 1 405 . 1 1 32 32 ILE CB C 13 39.296 0.400 . 1 . . . . 32 ILE CB . 18465 1 406 . 1 1 32 32 ILE CG1 C 13 27.361 0.400 . 1 . . . . 32 ILE CG1 . 18465 1 407 . 1 1 32 32 ILE CG2 C 13 17.105 0.400 . 1 . . . . 32 ILE CG2 . 18465 1 408 . 1 1 32 32 ILE CD1 C 13 12.175 0.400 . 1 . . . . 32 ILE CD1 . 18465 1 409 . 1 1 32 32 ILE N N 15 120.759 0.400 . 1 . . . . 32 ILE N . 18465 1 410 . 1 1 33 33 LEU H H 1 9.117 0.020 . 1 . . . . 33 LEU H . 18465 1 411 . 1 1 33 33 LEU HA H 1 4.994 0.020 . 1 . . . . 33 LEU HA . 18465 1 412 . 1 1 33 33 LEU HB2 H 1 1.643 0.020 . 2 . . . . 33 LEU HB2 . 18465 1 413 . 1 1 33 33 LEU HB3 H 1 1.131 0.020 . 2 . . . . 33 LEU HB3 . 18465 1 414 . 1 1 33 33 LEU HG H 1 1.261 0.020 . 1 . . . . 33 LEU HG . 18465 1 415 . 1 1 33 33 LEU HD11 H 1 0.548 0.020 . 2 . . . . 33 LEU HD11 . 18465 1 416 . 1 1 33 33 LEU HD12 H 1 0.548 0.020 . 2 . . . . 33 LEU HD12 . 18465 1 417 . 1 1 33 33 LEU HD13 H 1 0.548 0.020 . 2 . . . . 33 LEU HD13 . 18465 1 418 . 1 1 33 33 LEU HD21 H 1 0.226 0.020 . 2 . . . . 33 LEU HD21 . 18465 1 419 . 1 1 33 33 LEU HD22 H 1 0.226 0.020 . 2 . . . . 33 LEU HD22 . 18465 1 420 . 1 1 33 33 LEU HD23 H 1 0.226 0.020 . 2 . . . . 33 LEU HD23 . 18465 1 421 . 1 1 33 33 LEU C C 13 174.816 0.400 . 1 . . . . 33 LEU C . 18465 1 422 . 1 1 33 33 LEU CA C 13 52.373 0.400 . 1 . . . . 33 LEU CA . 18465 1 423 . 1 1 33 33 LEU CB C 13 41.039 0.400 . 1 . . . . 33 LEU CB . 18465 1 424 . 1 1 33 33 LEU CG C 13 27.595 0.400 . 1 . . . . 33 LEU CG . 18465 1 425 . 1 1 33 33 LEU CD1 C 13 25.103 0.400 . 1 . . . . 33 LEU CD1 . 18465 1 426 . 1 1 33 33 LEU CD2 C 13 23.078 0.400 . 1 . . . . 33 LEU CD2 . 18465 1 427 . 1 1 33 33 LEU N N 15 128.721 0.400 . 1 . . . . 33 LEU N . 18465 1 428 . 1 1 34 34 LEU H H 1 8.425 0.020 . 1 . . . . 34 LEU H . 18465 1 429 . 1 1 34 34 LEU HA H 1 4.924 0.020 . 1 . . . . 34 LEU HA . 18465 1 430 . 1 1 34 34 LEU HB2 H 1 1.383 0.020 . 1 . . . . 34 LEU HB2 . 18465 1 431 . 1 1 34 34 LEU HB3 H 1 1.383 0.020 . 1 . . . . 34 LEU HB3 . 18465 1 432 . 1 1 34 34 LEU HG H 1 1.378 0.020 . 1 . . . . 34 LEU HG . 18465 1 433 . 1 1 34 34 LEU HD11 H 1 0.689 0.020 . 2 . . . . 34 LEU HD11 . 18465 1 434 . 1 1 34 34 LEU HD12 H 1 0.689 0.020 . 2 . . . . 34 LEU HD12 . 18465 1 435 . 1 1 34 34 LEU HD13 H 1 0.689 0.020 . 2 . . . . 34 LEU HD13 . 18465 1 436 . 1 1 34 34 LEU HD21 H 1 0.706 0.020 . 2 . . . . 34 LEU HD21 . 18465 1 437 . 1 1 34 34 LEU HD22 H 1 0.706 0.020 . 2 . . . . 34 LEU HD22 . 18465 1 438 . 1 1 34 34 LEU HD23 H 1 0.706 0.020 . 2 . . . . 34 LEU HD23 . 18465 1 439 . 1 1 34 34 LEU C C 13 175.095 0.400 . 1 . . . . 34 LEU C . 18465 1 440 . 1 1 34 34 LEU CA C 13 53.448 0.400 . 1 . . . . 34 LEU CA . 18465 1 441 . 1 1 34 34 LEU CB C 13 45.156 0.400 . 1 . . . . 34 LEU CB . 18465 1 442 . 1 1 34 34 LEU CG C 13 26.738 0.400 . 1 . . . . 34 LEU CG . 18465 1 443 . 1 1 34 34 LEU CD1 C 13 26.349 0.400 . 1 . . . . 34 LEU CD1 . 18465 1 444 . 1 1 34 34 LEU CD2 C 13 24.168 0.400 . 1 . . . . 34 LEU CD2 . 18465 1 445 . 1 1 34 34 LEU N N 15 122.769 0.400 . 1 . . . . 34 LEU N . 18465 1 446 . 1 1 35 35 LYS H H 1 8.398 0.020 . 1 . . . . 35 LYS H . 18465 1 447 . 1 1 35 35 LYS HA H 1 4.908 0.020 . 1 . . . . 35 LYS HA . 18465 1 448 . 1 1 35 35 LYS HB2 H 1 1.739 0.020 . 2 . . . . 35 LYS HB2 . 18465 1 449 . 1 1 35 35 LYS HB3 H 1 1.449 0.020 . 2 . . . . 35 LYS HB3 . 18465 1 450 . 1 1 35 35 LYS HG2 H 1 1.195 0.020 . 2 . . . . 35 LYS HG2 . 18465 1 451 . 1 1 35 35 LYS HG3 H 1 1.198 0.020 . 2 . . . . 35 LYS HG3 . 18465 1 452 . 1 1 35 35 LYS HD2 H 1 1.474 0.020 . 1 . . . . 35 LYS HD2 . 18465 1 453 . 1 1 35 35 LYS HD3 H 1 1.473 0.020 . 1 . . . . 35 LYS HD3 . 18465 1 454 . 1 1 35 35 LYS HE2 H 1 2.748 0.020 . 1 . . . . 35 LYS HE2 . 18465 1 455 . 1 1 35 35 LYS HE3 H 1 2.747 0.020 . 1 . . . . 35 LYS HE3 . 18465 1 456 . 1 1 35 35 LYS C C 13 175.746 0.400 . 1 . . . . 35 LYS C . 18465 1 457 . 1 1 35 35 LYS CA C 13 54.573 0.400 . 1 . . . . 35 LYS CA . 18465 1 458 . 1 1 35 35 LYS CB C 13 34.152 0.400 . 1 . . . . 35 LYS CB . 18465 1 459 . 1 1 35 35 LYS CG C 13 24.168 0.400 . 1 . . . . 35 LYS CG . 18465 1 460 . 1 1 35 35 LYS CD C 13 29.308 0.400 . 1 . . . . 35 LYS CD . 18465 1 461 . 1 1 35 35 LYS CE C 13 41.496 0.400 . 1 . . . . 35 LYS CE . 18465 1 462 . 1 1 35 35 LYS N N 15 122.502 0.400 . 1 . . . . 35 LYS N . 18465 1 463 . 1 1 36 36 ASP H H 1 8.365 0.020 . 1 . . . . 36 ASP H . 18465 1 464 . 1 1 36 36 ASP HA H 1 4.438 0.020 . 1 . . . . 36 ASP HA . 18465 1 465 . 1 1 36 36 ASP HB2 H 1 2.468 0.020 . 2 . . . . 36 ASP HB2 . 18465 1 466 . 1 1 36 36 ASP HB3 H 1 2.632 0.020 . 2 . . . . 36 ASP HB3 . 18465 1 467 . 1 1 36 36 ASP C C 13 175.072 0.400 . 1 . . . . 36 ASP C . 18465 1 468 . 1 1 36 36 ASP CA C 13 54.458 0.400 . 1 . . . . 36 ASP CA . 18465 1 469 . 1 1 36 36 ASP CB C 13 42.762 0.400 . 1 . . . . 36 ASP CB . 18465 1 470 . 1 1 36 36 ASP N N 15 122.309 0.400 . 1 . . . . 36 ASP N . 18465 1 471 . 1 1 37 37 LYS H H 1 8.592 0.020 . 1 . . . . 37 LYS H . 18465 1 472 . 1 1 37 37 LYS HA H 1 4.301 0.020 . 1 . . . . 37 LYS HA . 18465 1 473 . 1 1 37 37 LYS HB2 H 1 1.909 0.020 . 2 . . . . 37 LYS HB2 . 18465 1 474 . 1 1 37 37 LYS HB3 H 1 1.800 0.020 . 2 . . . . 37 LYS HB3 . 18465 1 475 . 1 1 37 37 LYS HG2 H 1 1.507 0.020 . 2 . . . . 37 LYS HG2 . 18465 1 476 . 1 1 37 37 LYS HG3 H 1 1.510 0.020 . 2 . . . . 37 LYS HG3 . 18465 1 477 . 1 1 37 37 LYS HD2 H 1 1.711 0.020 . 1 . . . . 37 LYS HD2 . 18465 1 478 . 1 1 37 37 LYS HD3 H 1 1.711 0.020 . 1 . . . . 37 LYS HD3 . 18465 1 479 . 1 1 37 37 LYS HE2 H 1 3.026 0.020 . 2 . . . . 37 LYS HE2 . 18465 1 480 . 1 1 37 37 LYS HE3 H 1 3.022 0.020 . 2 . . . . 37 LYS HE3 . 18465 1 481 . 1 1 37 37 LYS C C 13 176.466 0.400 . 1 . . . . 37 LYS C . 18465 1 482 . 1 1 37 37 LYS CA C 13 56.475 0.400 . 1 . . . . 37 LYS CA . 18465 1 483 . 1 1 37 37 LYS CB C 13 32.993 0.400 . 1 . . . . 37 LYS CB . 18465 1 484 . 1 1 37 37 LYS CG C 13 24.168 0.400 . 1 . . . . 37 LYS CG . 18465 1 485 . 1 1 37 37 LYS CD C 13 28.996 0.400 . 1 . . . . 37 LYS CD . 18465 1 486 . 1 1 37 37 LYS CE C 13 41.780 0.400 . 1 . . . . 37 LYS CE . 18465 1 487 . 1 1 37 37 LYS N N 15 123.243 0.400 . 1 . . . . 37 LYS N . 18465 1 488 . 1 1 38 38 ASP H H 1 8.671 0.020 . 1 . . . . 38 ASP H . 18465 1 489 . 1 1 38 38 ASP HA H 1 4.641 0.020 . 1 . . . . 38 ASP HA . 18465 1 490 . 1 1 38 38 ASP HB2 H 1 3.000 0.020 . 2 . . . . 38 ASP HB2 . 18465 1 491 . 1 1 38 38 ASP HB3 H 1 2.476 0.020 . 2 . . . . 38 ASP HB3 . 18465 1 492 . 1 1 38 38 ASP C C 13 175.421 0.400 . 1 . . . . 38 ASP C . 18465 1 493 . 1 1 38 38 ASP CA C 13 53.307 0.400 . 1 . . . . 38 ASP CA . 18465 1 494 . 1 1 38 38 ASP CB C 13 41.034 0.400 . 1 . . . . 38 ASP CB . 18465 1 495 . 1 1 38 38 ASP N N 15 121.682 0.400 . 1 . . . . 38 ASP N . 18465 1 496 . 1 1 39 39 GLU H H 1 8.478 0.020 . 1 . . . . 39 GLU H . 18465 1 497 . 1 1 39 39 GLU HA H 1 4.044 0.020 . 1 . . . . 39 GLU HA . 18465 1 498 . 1 1 39 39 GLU HB2 H 1 2.039 0.020 . 2 . . . . 39 GLU HB2 . 18465 1 499 . 1 1 39 39 GLU HB3 H 1 2.106 0.020 . 2 . . . . 39 GLU HB3 . 18465 1 500 . 1 1 39 39 GLU HG2 H 1 2.349 0.020 . 2 . . . . 39 GLU HG2 . 18465 1 501 . 1 1 39 39 GLU HG3 H 1 2.289 0.020 . 2 . . . . 39 GLU HG3 . 18465 1 502 . 1 1 39 39 GLU C C 13 177.303 0.400 . 1 . . . . 39 GLU C . 18465 1 503 . 1 1 39 39 GLU CA C 13 58.766 0.400 . 1 . . . . 39 GLU CA . 18465 1 504 . 1 1 39 39 GLU CB C 13 29.815 0.400 . 1 . . . . 39 GLU CB . 18465 1 505 . 1 1 39 39 GLU CG C 13 36.283 0.400 . 1 . . . . 39 GLU CG . 18465 1 506 . 1 1 39 39 GLU N N 15 124.071 0.400 . 1 . . . . 39 GLU N . 18465 1 507 . 1 1 40 40 LYS H H 1 8.277 0.020 . 1 . . . . 40 LYS H . 18465 1 508 . 1 1 40 40 LYS HA H 1 4.173 0.020 . 1 . . . . 40 LYS HA . 18465 1 509 . 1 1 40 40 LYS HB2 H 1 1.804 0.020 . 2 . . . . 40 LYS HB2 . 18465 1 510 . 1 1 40 40 LYS HB3 H 1 1.794 0.020 . 2 . . . . 40 LYS HB3 . 18465 1 511 . 1 1 40 40 LYS HG2 H 1 1.393 0.020 . 2 . . . . 40 LYS HG2 . 18465 1 512 . 1 1 40 40 LYS HG3 H 1 1.383 0.020 . 2 . . . . 40 LYS HG3 . 18465 1 513 . 1 1 40 40 LYS HD2 H 1 1.623 0.020 . 1 . . . . 40 LYS HD2 . 18465 1 514 . 1 1 40 40 LYS HD3 H 1 1.623 0.020 . 1 . . . . 40 LYS HD3 . 18465 1 515 . 1 1 40 40 LYS HE2 H 1 2.943 0.020 . 1 . . . . 40 LYS HE2 . 18465 1 516 . 1 1 40 40 LYS HE3 H 1 2.943 0.020 . 1 . . . . 40 LYS HE3 . 18465 1 517 . 1 1 40 40 LYS CG C 13 24.910 0.400 . 1 . . . . 40 LYS CG . 18465 1 518 . 1 1 40 40 LYS CD C 13 28.780 0.400 . 1 . . . . 40 LYS CD . 18465 1 519 . 1 1 40 40 LYS CE C 13 41.780 0.400 . 1 . . . . 40 LYS CE . 18465 1 520 . 1 1 40 40 LYS N N 15 121.233 0.400 . 1 . . . . 40 LYS N . 18465 1 521 . 1 1 41 41 ARG HA H 1 4.154 0.020 . 1 . . . . 41 ARG HA . 18465 1 522 . 1 1 41 41 ARG HB2 H 1 1.963 0.020 . 2 . . . . 41 ARG HB2 . 18465 1 523 . 1 1 41 41 ARG HB3 H 1 1.735 0.020 . 2 . . . . 41 ARG HB3 . 18465 1 524 . 1 1 41 41 ARG HG2 H 1 1.593 0.020 . 1 . . . . 41 ARG HG2 . 18465 1 525 . 1 1 41 41 ARG HG3 H 1 1.594 0.020 . 1 . . . . 41 ARG HG3 . 18465 1 526 . 1 1 41 41 ARG HD2 H 1 3.268 0.020 . 2 . . . . 41 ARG HD2 . 18465 1 527 . 1 1 41 41 ARG HD3 H 1 3.188 0.020 . 2 . . . . 41 ARG HD3 . 18465 1 528 . 1 1 41 41 ARG C C 13 178.302 0.400 . 1 . . . . 41 ARG C . 18465 1 529 . 1 1 41 41 ARG CA C 13 57.983 0.400 . 1 . . . . 41 ARG CA . 18465 1 530 . 1 1 41 41 ARG CB C 13 30.045 0.400 . 1 . . . . 41 ARG CB . 18465 1 531 . 1 1 41 41 ARG CG C 13 27.127 0.400 . 1 . . . . 41 ARG CG . 18465 1 532 . 1 1 41 41 ARG CD C 13 43.410 0.400 . 1 . . . . 41 ARG CD . 18465 1 533 . 1 1 42 42 LEU H H 1 8.220 0.020 . 1 . . . . 42 LEU H . 18465 1 534 . 1 1 42 42 LEU HA H 1 4.073 0.020 . 1 . . . . 42 LEU HA . 18465 1 535 . 1 1 42 42 LEU HB2 H 1 1.710 0.020 . 2 . . . . 42 LEU HB2 . 18465 1 536 . 1 1 42 42 LEU HB3 H 1 1.863 0.020 . 2 . . . . 42 LEU HB3 . 18465 1 537 . 1 1 42 42 LEU HG H 1 1.553 0.020 . 1 . . . . 42 LEU HG . 18465 1 538 . 1 1 42 42 LEU HD11 H 1 0.896 0.020 . 2 . . . . 42 LEU HD11 . 18465 1 539 . 1 1 42 42 LEU HD12 H 1 0.896 0.020 . 2 . . . . 42 LEU HD12 . 18465 1 540 . 1 1 42 42 LEU HD13 H 1 0.896 0.020 . 2 . . . . 42 LEU HD13 . 18465 1 541 . 1 1 42 42 LEU HD21 H 1 0.950 0.020 . 2 . . . . 42 LEU HD21 . 18465 1 542 . 1 1 42 42 LEU HD22 H 1 0.950 0.020 . 2 . . . . 42 LEU HD22 . 18465 1 543 . 1 1 42 42 LEU HD23 H 1 0.950 0.020 . 2 . . . . 42 LEU HD23 . 18465 1 544 . 1 1 42 42 LEU C C 13 177.712 0.400 . 1 . . . . 42 LEU C . 18465 1 545 . 1 1 42 42 LEU CA C 13 57.550 0.400 . 1 . . . . 42 LEU CA . 18465 1 546 . 1 1 42 42 LEU CB C 13 41.850 0.400 . 1 . . . . 42 LEU CB . 18465 1 547 . 1 1 42 42 LEU CG C 13 26.730 0.400 . 1 . . . . 42 LEU CG . 18465 1 548 . 1 1 42 42 LEU CD1 C 13 24.324 0.400 . 1 . . . . 42 LEU CD1 . 18465 1 549 . 1 1 42 42 LEU CD2 C 13 25.637 0.400 . 1 . . . . 42 LEU CD2 . 18465 1 550 . 1 1 42 42 LEU N N 15 120.541 0.400 . 1 . . . . 42 LEU N . 18465 1 551 . 1 1 43 43 GLU H H 1 7.871 0.020 . 1 . . . . 43 GLU H . 18465 1 552 . 1 1 43 43 GLU HA H 1 4.010 0.020 . 1 . . . . 43 GLU HA . 18465 1 553 . 1 1 43 43 GLU HB2 H 1 2.100 0.020 . 2 . . . . 43 GLU HB2 . 18465 1 554 . 1 1 43 43 GLU HB3 H 1 2.104 0.020 . 2 . . . . 43 GLU HB3 . 18465 1 555 . 1 1 43 43 GLU HG2 H 1 2.371 0.020 . 1 . . . . 43 GLU HG2 . 18465 1 556 . 1 1 43 43 GLU HG3 H 1 2.371 0.020 . 1 . . . . 43 GLU HG3 . 18465 1 557 . 1 1 43 43 GLU C C 13 179.044 0.400 . 1 . . . . 43 GLU C . 18465 1 558 . 1 1 43 43 GLU CA C 13 59.133 0.400 . 1 . . . . 43 GLU CA . 18465 1 559 . 1 1 43 43 GLU CB C 13 28.779 0.400 . 1 . . . . 43 GLU CB . 18465 1 560 . 1 1 43 43 GLU CG C 13 35.863 0.400 . 1 . . . . 43 GLU CG . 18465 1 561 . 1 1 43 43 GLU N N 15 117.611 0.400 . 1 . . . . 43 GLU N . 18465 1 562 . 1 1 44 44 GLU H H 1 7.856 0.020 . 1 . . . . 44 GLU H . 18465 1 563 . 1 1 44 44 GLU HA H 1 4.062 0.020 . 1 . . . . 44 GLU HA . 18465 1 564 . 1 1 44 44 GLU HB2 H 1 2.053 0.020 . 2 . . . . 44 GLU HB2 . 18465 1 565 . 1 1 44 44 GLU HB3 H 1 2.141 0.020 . 2 . . . . 44 GLU HB3 . 18465 1 566 . 1 1 44 44 GLU HG2 H 1 2.423 0.020 . 2 . . . . 44 GLU HG2 . 18465 1 567 . 1 1 44 44 GLU HG3 H 1 2.231 0.020 . 2 . . . . 44 GLU HG3 . 18465 1 568 . 1 1 44 44 GLU C C 13 178.966 0.400 . 1 . . . . 44 GLU C . 18465 1 569 . 1 1 44 44 GLU CA C 13 59.255 0.400 . 1 . . . . 44 GLU CA . 18465 1 570 . 1 1 44 44 GLU CB C 13 29.134 0.400 . 1 . . . . 44 GLU CB . 18465 1 571 . 1 1 44 44 GLU CG C 13 36.301 0.400 . 1 . . . . 44 GLU CG . 18465 1 572 . 1 1 44 44 GLU N N 15 118.821 0.400 . 1 . . . . 44 GLU N . 18465 1 573 . 1 1 45 45 LYS H H 1 8.172 0.020 . 1 . . . . 45 LYS H . 18465 1 574 . 1 1 45 45 LYS HA H 1 4.027 0.020 . 1 . . . . 45 LYS HA . 18465 1 575 . 1 1 45 45 LYS HB2 H 1 1.957 0.020 . 2 . . . . 45 LYS HB2 . 18465 1 576 . 1 1 45 45 LYS HB3 H 1 1.835 0.020 . 2 . . . . 45 LYS HB3 . 18465 1 577 . 1 1 45 45 LYS HG2 H 1 1.526 0.020 . 2 . . . . 45 LYS HG2 . 18465 1 578 . 1 1 45 45 LYS HG3 H 1 1.383 0.020 . 2 . . . . 45 LYS HG3 . 18465 1 579 . 1 1 45 45 LYS HD2 H 1 1.642 0.020 . 1 . . . . 45 LYS HD2 . 18465 1 580 . 1 1 45 45 LYS HD3 H 1 1.643 0.020 . 1 . . . . 45 LYS HD3 . 18465 1 581 . 1 1 45 45 LYS HE2 H 1 2.838 0.020 . 1 . . . . 45 LYS HE2 . 18465 1 582 . 1 1 45 45 LYS HE3 H 1 2.838 0.020 . 1 . . . . 45 LYS HE3 . 18465 1 583 . 1 1 45 45 LYS C C 13 178.437 0.400 . 1 . . . . 45 LYS C . 18465 1 584 . 1 1 45 45 LYS CA C 13 58.939 0.400 . 1 . . . . 45 LYS CA . 18465 1 585 . 1 1 45 45 LYS CB C 13 31.577 0.400 . 1 . . . . 45 LYS CB . 18465 1 586 . 1 1 45 45 LYS CG C 13 24.762 0.400 . 1 . . . . 45 LYS CG . 18465 1 587 . 1 1 45 45 LYS CD C 13 28.919 0.400 . 1 . . . . 45 LYS CD . 18465 1 588 . 1 1 45 45 LYS CE C 13 41.058 0.400 . 1 . . . . 45 LYS CE . 18465 1 589 . 1 1 45 45 LYS N N 15 121.583 0.400 . 1 . . . . 45 LYS N . 18465 1 590 . 1 1 46 46 ILE H H 1 8.686 0.020 . 1 . . . . 46 ILE H . 18465 1 591 . 1 1 46 46 ILE HA H 1 3.431 0.020 . 1 . . . . 46 ILE HA . 18465 1 592 . 1 1 46 46 ILE HB H 1 1.940 0.020 . 1 . . . . 46 ILE HB . 18465 1 593 . 1 1 46 46 ILE HG12 H 1 1.766 0.020 . 2 . . . . 46 ILE HG12 . 18465 1 594 . 1 1 46 46 ILE HG13 H 1 0.852 0.020 . 2 . . . . 46 ILE HG13 . 18465 1 595 . 1 1 46 46 ILE HG21 H 1 0.856 0.020 . 1 . . . . 46 ILE HG21 . 18465 1 596 . 1 1 46 46 ILE HG22 H 1 0.856 0.020 . 1 . . . . 46 ILE HG22 . 18465 1 597 . 1 1 46 46 ILE HG23 H 1 0.856 0.020 . 1 . . . . 46 ILE HG23 . 18465 1 598 . 1 1 46 46 ILE HD11 H 1 0.764 0.020 . 1 . . . . 46 ILE HD11 . 18465 1 599 . 1 1 46 46 ILE HD12 H 1 0.764 0.020 . 1 . . . . 46 ILE HD12 . 18465 1 600 . 1 1 46 46 ILE HD13 H 1 0.764 0.020 . 1 . . . . 46 ILE HD13 . 18465 1 601 . 1 1 46 46 ILE C C 13 178.907 0.400 . 1 . . . . 46 ILE C . 18465 1 602 . 1 1 46 46 ILE CA C 13 66.068 0.400 . 1 . . . . 46 ILE CA . 18465 1 603 . 1 1 46 46 ILE CB C 13 37.438 0.400 . 1 . . . . 46 ILE CB . 18465 1 604 . 1 1 46 46 ILE CG1 C 13 29.857 0.400 . 1 . . . . 46 ILE CG1 . 18465 1 605 . 1 1 46 46 ILE CG2 C 13 16.722 0.400 . 1 . . . . 46 ILE CG2 . 18465 1 606 . 1 1 46 46 ILE CD1 C 13 13.557 0.400 . 1 . . . . 46 ILE CD1 . 18465 1 607 . 1 1 46 46 ILE N N 15 119.451 0.400 . 1 . . . . 46 ILE N . 18465 1 608 . 1 1 47 47 GLN H H 1 7.742 0.020 . 1 . . . . 47 GLN H . 18465 1 609 . 1 1 47 47 GLN HA H 1 4.005 0.020 . 1 . . . . 47 GLN HA . 18465 1 610 . 1 1 47 47 GLN HB2 H 1 2.192 0.020 . 2 . . . . 47 GLN HB2 . 18465 1 611 . 1 1 47 47 GLN HB3 H 1 2.194 0.020 . 2 . . . . 47 GLN HB3 . 18465 1 612 . 1 1 47 47 GLN HG2 H 1 2.551 0.020 . 2 . . . . 47 GLN HG2 . 18465 1 613 . 1 1 47 47 GLN HG3 H 1 2.518 0.020 . 2 . . . . 47 GLN HG3 . 18465 1 614 . 1 1 47 47 GLN HE21 H 1 7.630 0.020 . 2 . . . . 47 GLN HE21 . 18465 1 615 . 1 1 47 47 GLN HE22 H 1 6.881 0.020 . 2 . . . . 47 GLN HE22 . 18465 1 616 . 1 1 47 47 GLN C C 13 179.122 0.400 . 1 . . . . 47 GLN C . 18465 1 617 . 1 1 47 47 GLN CA C 13 58.811 0.400 . 1 . . . . 47 GLN CA . 18465 1 618 . 1 1 47 47 GLN CB C 13 27.644 0.400 . 1 . . . . 47 GLN CB . 18465 1 619 . 1 1 47 47 GLN CG C 13 33.293 0.400 . 1 . . . . 47 GLN CG . 18465 1 620 . 1 1 47 47 GLN N N 15 117.086 0.400 . 1 . . . . 47 GLN N . 18465 1 621 . 1 1 47 47 GLN NE2 N 15 112.355 0.400 . 1 . . . . 47 GLN NE2 . 18465 1 622 . 1 1 48 48 LYS H H 1 7.996 0.020 . 1 . . . . 48 LYS H . 18465 1 623 . 1 1 48 48 LYS HA H 1 4.065 0.020 . 1 . . . . 48 LYS HA . 18465 1 624 . 1 1 48 48 LYS HB2 H 1 1.957 0.020 . 1 . . . . 48 LYS HB2 . 18465 1 625 . 1 1 48 48 LYS HB3 H 1 1.958 0.020 . 1 . . . . 48 LYS HB3 . 18465 1 626 . 1 1 48 48 LYS HG2 H 1 1.593 0.020 . 2 . . . . 48 LYS HG2 . 18465 1 627 . 1 1 48 48 LYS HG3 H 1 1.348 0.020 . 2 . . . . 48 LYS HG3 . 18465 1 628 . 1 1 48 48 LYS HD2 H 1 1.649 0.020 . 2 . . . . 48 LYS HD2 . 18465 1 629 . 1 1 48 48 LYS HD3 H 1 1.645 0.020 . 2 . . . . 48 LYS HD3 . 18465 1 630 . 1 1 48 48 LYS HE2 H 1 2.916 0.020 . 1 . . . . 48 LYS HE2 . 18465 1 631 . 1 1 48 48 LYS HE3 H 1 2.916 0.020 . 1 . . . . 48 LYS HE3 . 18465 1 632 . 1 1 48 48 LYS C C 13 179.769 0.400 . 1 . . . . 48 LYS C . 18465 1 633 . 1 1 48 48 LYS CA C 13 59.147 0.400 . 1 . . . . 48 LYS CA . 18465 1 634 . 1 1 48 48 LYS CB C 13 32.090 0.400 . 1 . . . . 48 LYS CB . 18465 1 635 . 1 1 48 48 LYS CG C 13 24.980 0.400 . 1 . . . . 48 LYS CG . 18465 1 636 . 1 1 48 48 LYS CD C 13 28.853 0.400 . 1 . . . . 48 LYS CD . 18465 1 637 . 1 1 48 48 LYS CE C 13 41.780 0.400 . 1 . . . . 48 LYS CE . 18465 1 638 . 1 1 48 48 LYS N N 15 120.773 0.400 . 1 . . . . 48 LYS N . 18465 1 639 . 1 1 49 49 LEU H H 1 8.680 0.020 . 1 . . . . 49 LEU H . 18465 1 640 . 1 1 49 49 LEU HA H 1 4.271 0.020 . 1 . . . . 49 LEU HA . 18465 1 641 . 1 1 49 49 LEU HB2 H 1 1.907 0.020 . 2 . . . . 49 LEU HB2 . 18465 1 642 . 1 1 49 49 LEU HB3 H 1 1.160 0.020 . 2 . . . . 49 LEU HB3 . 18465 1 643 . 1 1 49 49 LEU HG H 1 1.794 0.020 . 1 . . . . 49 LEU HG . 18465 1 644 . 1 1 49 49 LEU HD11 H 1 0.661 0.020 . 2 . . . . 49 LEU HD11 . 18465 1 645 . 1 1 49 49 LEU HD12 H 1 0.661 0.020 . 2 . . . . 49 LEU HD12 . 18465 1 646 . 1 1 49 49 LEU HD13 H 1 0.661 0.020 . 2 . . . . 49 LEU HD13 . 18465 1 647 . 1 1 49 49 LEU HD21 H 1 0.612 0.020 . 2 . . . . 49 LEU HD21 . 18465 1 648 . 1 1 49 49 LEU HD22 H 1 0.612 0.020 . 2 . . . . 49 LEU HD22 . 18465 1 649 . 1 1 49 49 LEU HD23 H 1 0.612 0.020 . 2 . . . . 49 LEU HD23 . 18465 1 650 . 1 1 49 49 LEU C C 13 180.220 0.400 . 1 . . . . 49 LEU C . 18465 1 651 . 1 1 49 49 LEU CA C 13 57.667 0.400 . 1 . . . . 49 LEU CA . 18465 1 652 . 1 1 49 49 LEU CB C 13 41.870 0.400 . 1 . . . . 49 LEU CB . 18465 1 653 . 1 1 49 49 LEU CG C 13 27.048 0.400 . 1 . . . . 49 LEU CG . 18465 1 654 . 1 1 49 49 LEU CD1 C 13 26.378 0.400 . 1 . . . . 49 LEU CD1 . 18465 1 655 . 1 1 49 49 LEU CD2 C 13 21.518 0.400 . 1 . . . . 49 LEU CD2 . 18465 1 656 . 1 1 49 49 LEU N N 15 120.255 0.400 . 1 . . . . 49 LEU N . 18465 1 657 . 1 1 50 50 LYS H H 1 8.975 0.020 . 1 . . . . 50 LYS H . 18465 1 658 . 1 1 50 50 LYS HA H 1 4.490 0.020 . 1 . . . . 50 LYS HA . 18465 1 659 . 1 1 50 50 LYS HB2 H 1 1.920 0.020 . 2 . . . . 50 LYS HB2 . 18465 1 660 . 1 1 50 50 LYS HB3 H 1 1.923 0.020 . 2 . . . . 50 LYS HB3 . 18465 1 661 . 1 1 50 50 LYS HG2 H 1 1.721 0.020 . 2 . . . . 50 LYS HG2 . 18465 1 662 . 1 1 50 50 LYS HG3 H 1 1.510 0.020 . 2 . . . . 50 LYS HG3 . 18465 1 663 . 1 1 50 50 LYS HD2 H 1 1.656 0.020 . 2 . . . . 50 LYS HD2 . 18465 1 664 . 1 1 50 50 LYS HD3 H 1 1.654 0.020 . 2 . . . . 50 LYS HD3 . 18465 1 665 . 1 1 50 50 LYS HE2 H 1 3.006 0.020 . 2 . . . . 50 LYS HE2 . 18465 1 666 . 1 1 50 50 LYS HE3 H 1 2.924 0.020 . 2 . . . . 50 LYS HE3 . 18465 1 667 . 1 1 50 50 LYS C C 13 181.611 0.400 . 1 . . . . 50 LYS C . 18465 1 668 . 1 1 50 50 LYS CA C 13 59.778 0.400 . 1 . . . . 50 LYS CA . 18465 1 669 . 1 1 50 50 LYS CB C 13 31.842 0.400 . 1 . . . . 50 LYS CB . 18465 1 670 . 1 1 50 50 LYS CG C 13 25.454 0.400 . 1 . . . . 50 LYS CG . 18465 1 671 . 1 1 50 50 LYS CD C 13 29.162 0.400 . 1 . . . . 50 LYS CD . 18465 1 672 . 1 1 50 50 LYS CE C 13 41.780 0.400 . 1 . . . . 50 LYS CE . 18465 1 673 . 1 1 50 50 LYS N N 15 121.467 0.400 . 1 . . . . 50 LYS N . 18465 1 674 . 1 1 51 51 SER H H 1 8.094 0.020 . 1 . . . . 51 SER H . 18465 1 675 . 1 1 51 51 SER HA H 1 4.361 0.020 . 1 . . . . 51 SER HA . 18465 1 676 . 1 1 51 51 SER HB2 H 1 4.122 0.020 . 1 . . . . 51 SER HB2 . 18465 1 677 . 1 1 51 51 SER HB3 H 1 4.122 0.020 . 1 . . . . 51 SER HB3 . 18465 1 678 . 1 1 51 51 SER C C 13 175.145 0.400 . 1 . . . . 51 SER C . 18465 1 679 . 1 1 51 51 SER CA C 13 61.220 0.400 . 1 . . . . 51 SER CA . 18465 1 680 . 1 1 51 51 SER CB C 13 62.533 0.400 . 1 . . . . 51 SER CB . 18465 1 681 . 1 1 51 51 SER N N 15 116.705 0.400 . 1 . . . . 51 SER N . 18465 1 682 . 1 1 52 52 GLN H H 1 7.430 0.020 . 1 . . . . 52 GLN H . 18465 1 683 . 1 1 52 52 GLN HA H 1 4.330 0.020 . 1 . . . . 52 GLN HA . 18465 1 684 . 1 1 52 52 GLN HB2 H 1 2.316 0.020 . 1 . . . . 52 GLN HB2 . 18465 1 685 . 1 1 52 52 GLN HB3 H 1 2.315 0.020 . 1 . . . . 52 GLN HB3 . 18465 1 686 . 1 1 52 52 GLN HG2 H 1 2.400 0.020 . 2 . . . . 52 GLN HG2 . 18465 1 687 . 1 1 52 52 GLN HG3 H 1 2.674 0.020 . 2 . . . . 52 GLN HG3 . 18465 1 688 . 1 1 52 52 GLN HE21 H 1 7.185 0.020 . 2 . . . . 52 GLN HE21 . 18465 1 689 . 1 1 52 52 GLN HE22 H 1 6.782 0.020 . 2 . . . . 52 GLN HE22 . 18465 1 690 . 1 1 52 52 GLN C C 13 175.458 0.400 . 1 . . . . 52 GLN C . 18465 1 691 . 1 1 52 52 GLN CA C 13 55.621 0.400 . 1 . . . . 52 GLN CA . 18465 1 692 . 1 1 52 52 GLN CB C 13 29.197 0.400 . 1 . . . . 52 GLN CB . 18465 1 693 . 1 1 52 52 GLN CG C 13 34.168 0.400 . 1 . . . . 52 GLN CG . 18465 1 694 . 1 1 52 52 GLN N N 15 119.427 0.400 . 1 . . . . 52 GLN N . 18465 1 695 . 1 1 52 52 GLN NE2 N 15 108.687 0.400 . 1 . . . . 52 GLN NE2 . 18465 1 696 . 1 1 53 53 GLY H H 1 7.861 0.020 . 1 . . . . 53 GLY H . 18465 1 697 . 1 1 53 53 GLY HA2 H 1 3.703 0.020 . 2 . . . . 53 GLY HA2 . 18465 1 698 . 1 1 53 53 GLY HA3 H 1 4.104 0.020 . 2 . . . . 53 GLY HA3 . 18465 1 699 . 1 1 53 53 GLY C C 13 174.596 0.400 . 1 . . . . 53 GLY C . 18465 1 700 . 1 1 53 53 GLY CA C 13 44.880 0.400 . 1 . . . . 53 GLY CA . 18465 1 701 . 1 1 53 53 GLY N N 15 105.268 0.400 . 1 . . . . 53 GLY N . 18465 1 702 . 1 1 54 54 PHE H H 1 7.470 0.020 . 1 . . . . 54 PHE H . 18465 1 703 . 1 1 54 54 PHE HA H 1 4.555 0.020 . 1 . . . . 54 PHE HA . 18465 1 704 . 1 1 54 54 PHE HB2 H 1 2.361 0.020 . 2 . . . . 54 PHE HB2 . 18465 1 705 . 1 1 54 54 PHE HB3 H 1 2.767 0.020 . 2 . . . . 54 PHE HB3 . 18465 1 706 . 1 1 54 54 PHE HD1 H 1 7.400 0.020 . 1 . . . . 54 PHE HD1 . 18465 1 707 . 1 1 54 54 PHE HD2 H 1 7.400 0.020 . 1 . . . . 54 PHE HD2 . 18465 1 708 . 1 1 54 54 PHE HE1 H 1 7.164 0.020 . 1 . . . . 54 PHE HE1 . 18465 1 709 . 1 1 54 54 PHE HE2 H 1 7.164 0.020 . 1 . . . . 54 PHE HE2 . 18465 1 710 . 1 1 54 54 PHE HZ H 1 6.922 0.020 . 1 . . . . 54 PHE HZ . 18465 1 711 . 1 1 54 54 PHE C C 13 176.399 0.400 . 1 . . . . 54 PHE C . 18465 1 712 . 1 1 54 54 PHE CA C 13 58.236 0.400 . 1 . . . . 54 PHE CA . 18465 1 713 . 1 1 54 54 PHE CB C 13 39.679 0.400 . 1 . . . . 54 PHE CB . 18465 1 714 . 1 1 54 54 PHE CD1 C 13 131.694 0.400 . 1 . . . . 54 PHE CD1 . 18465 1 715 . 1 1 54 54 PHE CD2 C 13 132.422 0.400 . 1 . . . . 54 PHE CD2 . 18465 1 716 . 1 1 54 54 PHE CE1 C 13 130.995 0.400 . 1 . . . . 54 PHE CE1 . 18465 1 717 . 1 1 54 54 PHE CE2 C 13 131.074 0.400 . 1 . . . . 54 PHE CE2 . 18465 1 718 . 1 1 54 54 PHE CZ C 13 128.887 0.400 . 1 . . . . 54 PHE CZ . 18465 1 719 . 1 1 54 54 PHE N N 15 117.001 0.400 . 1 . . . . 54 PHE N . 18465 1 720 . 1 1 55 55 GLU H H 1 8.082 0.020 . 1 . . . . 55 GLU H . 18465 1 721 . 1 1 55 55 GLU HA H 1 4.467 0.020 . 1 . . . . 55 GLU HA . 18465 1 722 . 1 1 55 55 GLU HB2 H 1 1.651 0.020 . 2 . . . . 55 GLU HB2 . 18465 1 723 . 1 1 55 55 GLU HB3 H 1 1.393 0.020 . 2 . . . . 55 GLU HB3 . 18465 1 724 . 1 1 55 55 GLU HG2 H 1 2.120 0.020 . 2 . . . . 55 GLU HG2 . 18465 1 725 . 1 1 55 55 GLU HG3 H 1 2.004 0.020 . 2 . . . . 55 GLU HG3 . 18465 1 726 . 1 1 55 55 GLU C C 13 174.979 0.400 . 1 . . . . 55 GLU C . 18465 1 727 . 1 1 55 55 GLU CA C 13 55.480 0.400 . 1 . . . . 55 GLU CA . 18465 1 728 . 1 1 55 55 GLU CB C 13 29.466 0.400 . 1 . . . . 55 GLU CB . 18465 1 729 . 1 1 55 55 GLU CG C 13 34.988 0.400 . 1 . . . . 55 GLU CG . 18465 1 730 . 1 1 55 55 GLU N N 15 121.510 0.400 . 1 . . . . 55 GLU N . 18465 1 731 . 1 1 56 56 VAL H H 1 8.301 0.020 . 1 . . . . 56 VAL H . 18465 1 732 . 1 1 56 56 VAL HA H 1 5.452 0.020 . 1 . . . . 56 VAL HA . 18465 1 733 . 1 1 56 56 VAL HB H 1 1.743 0.020 . 1 . . . . 56 VAL HB . 18465 1 734 . 1 1 56 56 VAL HG11 H 1 0.868 0.020 . 2 . . . . 56 VAL HG11 . 18465 1 735 . 1 1 56 56 VAL HG12 H 1 0.868 0.020 . 2 . . . . 56 VAL HG12 . 18465 1 736 . 1 1 56 56 VAL HG13 H 1 0.868 0.020 . 2 . . . . 56 VAL HG13 . 18465 1 737 . 1 1 56 56 VAL HG21 H 1 0.828 0.020 . 2 . . . . 56 VAL HG21 . 18465 1 738 . 1 1 56 56 VAL HG22 H 1 0.828 0.020 . 2 . . . . 56 VAL HG22 . 18465 1 739 . 1 1 56 56 VAL HG23 H 1 0.828 0.020 . 2 . . . . 56 VAL HG23 . 18465 1 740 . 1 1 56 56 VAL C C 13 175.478 0.400 . 1 . . . . 56 VAL C . 18465 1 741 . 1 1 56 56 VAL CA C 13 58.764 0.400 . 1 . . . . 56 VAL CA . 18465 1 742 . 1 1 56 56 VAL CB C 13 34.558 0.400 . 1 . . . . 56 VAL CB . 18465 1 743 . 1 1 56 56 VAL CG1 C 13 22.126 0.400 . 1 . . . . 56 VAL CG1 . 18465 1 744 . 1 1 56 56 VAL CG2 C 13 21.947 0.400 . 1 . . . . 56 VAL CG2 . 18465 1 745 . 1 1 56 56 VAL N N 15 122.018 0.400 . 1 . . . . 56 VAL N . 18465 1 746 . 1 1 57 57 ARG H H 1 8.610 0.020 . 1 . . . . 57 ARG H . 18465 1 747 . 1 1 57 57 ARG HA H 1 4.604 0.020 . 1 . . . . 57 ARG HA . 18465 1 748 . 1 1 57 57 ARG HB2 H 1 1.159 0.020 . 2 . . . . 57 ARG HB2 . 18465 1 749 . 1 1 57 57 ARG HB3 H 1 1.161 0.020 . 2 . . . . 57 ARG HB3 . 18465 1 750 . 1 1 57 57 ARG HG2 H 1 0.768 0.020 . 2 . . . . 57 ARG HG2 . 18465 1 751 . 1 1 57 57 ARG HG3 H 1 1.104 0.020 . 2 . . . . 57 ARG HG3 . 18465 1 752 . 1 1 57 57 ARG HD2 H 1 2.508 0.020 . 2 . . . . 57 ARG HD2 . 18465 1 753 . 1 1 57 57 ARG HD3 H 1 2.951 0.020 . 2 . . . . 57 ARG HD3 . 18465 1 754 . 1 1 57 57 ARG C C 13 173.989 0.400 . 1 . . . . 57 ARG C . 18465 1 755 . 1 1 57 57 ARG CA C 13 52.809 0.400 . 1 . . . . 57 ARG CA . 18465 1 756 . 1 1 57 57 ARG CB C 13 32.409 0.400 . 1 . . . . 57 ARG CB . 18465 1 757 . 1 1 57 57 ARG CG C 13 25.954 0.400 . 1 . . . . 57 ARG CG . 18465 1 758 . 1 1 57 57 ARG CD C 13 42.207 0.400 . 1 . . . . 57 ARG CD . 18465 1 759 . 1 1 57 57 ARG N N 15 124.551 0.400 . 1 . . . . 57 ARG N . 18465 1 760 . 1 1 58 58 LYS H H 1 8.593 0.020 . 1 . . . . 58 LYS H . 18465 1 761 . 1 1 58 58 LYS HA H 1 4.785 0.020 . 1 . . . . 58 LYS HA . 18465 1 762 . 1 1 58 58 LYS HB2 H 1 1.760 0.020 . 1 . . . . 58 LYS HB2 . 18465 1 763 . 1 1 58 58 LYS HB3 H 1 1.759 0.020 . 1 . . . . 58 LYS HB3 . 18465 1 764 . 1 1 58 58 LYS HG2 H 1 1.434 0.020 . 2 . . . . 58 LYS HG2 . 18465 1 765 . 1 1 58 58 LYS HG3 H 1 1.275 0.020 . 2 . . . . 58 LYS HG3 . 18465 1 766 . 1 1 58 58 LYS HD2 H 1 1.654 0.020 . 2 . . . . 58 LYS HD2 . 18465 1 767 . 1 1 58 58 LYS HD3 H 1 1.657 0.020 . 2 . . . . 58 LYS HD3 . 18465 1 768 . 1 1 58 58 LYS HE2 H 1 2.841 0.020 . 2 . . . . 58 LYS HE2 . 18465 1 769 . 1 1 58 58 LYS HE3 H 1 2.845 0.020 . 2 . . . . 58 LYS HE3 . 18465 1 770 . 1 1 58 58 LYS C C 13 175.850 0.400 . 1 . . . . 58 LYS C . 18465 1 771 . 1 1 58 58 LYS CA C 13 55.642 0.400 . 1 . . . . 58 LYS CA . 18465 1 772 . 1 1 58 58 LYS CB C 13 33.541 0.400 . 1 . . . . 58 LYS CB . 18465 1 773 . 1 1 58 58 LYS CG C 13 24.926 0.400 . 1 . . . . 58 LYS CG . 18465 1 774 . 1 1 58 58 LYS CD C 13 29.173 0.400 . 1 . . . . 58 LYS CD . 18465 1 775 . 1 1 58 58 LYS CE C 13 41.780 0.400 . 1 . . . . 58 LYS CE . 18465 1 776 . 1 1 58 58 LYS N N 15 122.769 0.400 . 1 . . . . 58 LYS N . 18465 1 777 . 1 1 59 59 VAL H H 1 8.530 0.020 . 1 . . . . 59 VAL H . 18465 1 778 . 1 1 59 59 VAL HA H 1 4.682 0.020 . 1 . . . . 59 VAL HA . 18465 1 779 . 1 1 59 59 VAL HB H 1 2.102 0.020 . 1 . . . . 59 VAL HB . 18465 1 780 . 1 1 59 59 VAL HG11 H 1 0.747 0.020 . 2 . . . . 59 VAL HG11 . 18465 1 781 . 1 1 59 59 VAL HG12 H 1 0.747 0.020 . 2 . . . . 59 VAL HG12 . 18465 1 782 . 1 1 59 59 VAL HG13 H 1 0.747 0.020 . 2 . . . . 59 VAL HG13 . 18465 1 783 . 1 1 59 59 VAL HG21 H 1 0.588 0.020 . 2 . . . . 59 VAL HG21 . 18465 1 784 . 1 1 59 59 VAL HG22 H 1 0.588 0.020 . 2 . . . . 59 VAL HG22 . 18465 1 785 . 1 1 59 59 VAL HG23 H 1 0.588 0.020 . 2 . . . . 59 VAL HG23 . 18465 1 786 . 1 1 59 59 VAL C C 13 174.694 0.400 . 1 . . . . 59 VAL C . 18465 1 787 . 1 1 59 59 VAL CA C 13 59.020 0.400 . 1 . . . . 59 VAL CA . 18465 1 788 . 1 1 59 59 VAL CB C 13 35.146 0.400 . 1 . . . . 59 VAL CB . 18465 1 789 . 1 1 59 59 VAL CG1 C 13 22.673 0.400 . 1 . . . . 59 VAL CG1 . 18465 1 790 . 1 1 59 59 VAL CG2 C 13 18.599 0.400 . 1 . . . . 59 VAL CG2 . 18465 1 791 . 1 1 59 59 VAL N N 15 118.155 0.400 . 1 . . . . 59 VAL N . 18465 1 792 . 1 1 60 60 LYS H H 1 9.618 0.020 . 1 . . . . 60 LYS H . 18465 1 793 . 1 1 60 60 LYS HA H 1 4.359 0.020 . 1 . . . . 60 LYS HA . 18465 1 794 . 1 1 60 60 LYS HB2 H 1 1.794 0.020 . 1 . . . . 60 LYS HB2 . 18465 1 795 . 1 1 60 60 LYS HB3 H 1 1.793 0.020 . 1 . . . . 60 LYS HB3 . 18465 1 796 . 1 1 60 60 LYS HG2 H 1 1.485 0.020 . 2 . . . . 60 LYS HG2 . 18465 1 797 . 1 1 60 60 LYS HG3 H 1 1.413 0.020 . 2 . . . . 60 LYS HG3 . 18465 1 798 . 1 1 60 60 LYS HD2 H 1 1.705 0.020 . 1 . . . . 60 LYS HD2 . 18465 1 799 . 1 1 60 60 LYS HD3 H 1 1.705 0.020 . 1 . . . . 60 LYS HD3 . 18465 1 800 . 1 1 60 60 LYS HE2 H 1 3.006 0.020 . 2 . . . . 60 LYS HE2 . 18465 1 801 . 1 1 60 60 LYS HE3 H 1 3.010 0.020 . 2 . . . . 60 LYS HE3 . 18465 1 802 . 1 1 60 60 LYS C C 13 176.281 0.400 . 1 . . . . 60 LYS C . 18465 1 803 . 1 1 60 60 LYS CA C 13 57.435 0.400 . 1 . . . . 60 LYS CA . 18465 1 804 . 1 1 60 60 LYS CB C 13 33.743 0.400 . 1 . . . . 60 LYS CB . 18465 1 805 . 1 1 60 60 LYS CG C 13 24.597 0.400 . 1 . . . . 60 LYS CG . 18465 1 806 . 1 1 60 60 LYS CD C 13 28.863 0.400 . 1 . . . . 60 LYS CD . 18465 1 807 . 1 1 60 60 LYS CE C 13 41.780 0.400 . 1 . . . . 60 LYS CE . 18465 1 808 . 1 1 60 60 LYS N N 15 122.139 0.400 . 1 . . . . 60 LYS N . 18465 1 809 . 1 1 61 61 ASP H H 1 7.633 0.020 . 1 . . . . 61 ASP H . 18465 1 810 . 1 1 61 61 ASP HA H 1 4.564 0.020 . 1 . . . . 61 ASP HA . 18465 1 811 . 1 1 61 61 ASP HB2 H 1 2.965 0.020 . 1 . . . . 61 ASP HB2 . 18465 1 812 . 1 1 61 61 ASP HB3 H 1 2.965 0.020 . 1 . . . . 61 ASP HB3 . 18465 1 813 . 1 1 61 61 ASP C C 13 175.556 0.400 . 1 . . . . 61 ASP C . 18465 1 814 . 1 1 61 61 ASP CA C 13 52.750 0.400 . 1 . . . . 61 ASP CA . 18465 1 815 . 1 1 61 61 ASP CB C 13 41.605 0.400 . 1 . . . . 61 ASP CB . 18465 1 816 . 1 1 61 61 ASP N N 15 115.143 0.400 . 1 . . . . 61 ASP N . 18465 1 817 . 1 1 62 62 ASP H H 1 8.455 0.020 . 1 . . . . 62 ASP H . 18465 1 818 . 1 1 62 62 ASP HA H 1 4.442 0.020 . 1 . . . . 62 ASP HA . 18465 1 819 . 1 1 62 62 ASP HB2 H 1 2.744 0.020 . 2 . . . . 62 ASP HB2 . 18465 1 820 . 1 1 62 62 ASP HB3 H 1 2.588 0.020 . 2 . . . . 62 ASP HB3 . 18465 1 821 . 1 1 62 62 ASP C C 13 177.888 0.400 . 1 . . . . 62 ASP C . 18465 1 822 . 1 1 62 62 ASP CA C 13 57.099 0.400 . 1 . . . . 62 ASP CA . 18465 1 823 . 1 1 62 62 ASP CB C 13 40.091 0.400 . 1 . . . . 62 ASP CB . 18465 1 824 . 1 1 62 62 ASP N N 15 118.291 0.400 . 1 . . . . 62 ASP N . 18465 1 825 . 1 1 63 63 ASP H H 1 8.197 0.020 . 1 . . . . 63 ASP H . 18465 1 826 . 1 1 63 63 ASP HA H 1 4.455 0.020 . 1 . . . . 63 ASP HA . 18465 1 827 . 1 1 63 63 ASP HB2 H 1 2.762 0.020 . 2 . . . . 63 ASP HB2 . 18465 1 828 . 1 1 63 63 ASP HB3 H 1 2.645 0.020 . 2 . . . . 63 ASP HB3 . 18465 1 829 . 1 1 63 63 ASP C C 13 177.810 0.400 . 1 . . . . 63 ASP C . 18465 1 830 . 1 1 63 63 ASP CA C 13 56.851 0.400 . 1 . . . . 63 ASP CA . 18465 1 831 . 1 1 63 63 ASP CB C 13 40.341 0.400 . 1 . . . . 63 ASP CB . 18465 1 832 . 1 1 63 63 ASP N N 15 121.062 0.400 . 1 . . . . 63 ASP N . 18465 1 833 . 1 1 64 64 ASP H H 1 8.299 0.020 . 1 . . . . 64 ASP H . 18465 1 834 . 1 1 64 64 ASP HA H 1 4.498 0.020 . 1 . . . . 64 ASP HA . 18465 1 835 . 1 1 64 64 ASP HB2 H 1 2.896 0.020 . 2 . . . . 64 ASP HB2 . 18465 1 836 . 1 1 64 64 ASP HB3 H 1 3.071 0.020 . 2 . . . . 64 ASP HB3 . 18465 1 837 . 1 1 64 64 ASP C C 13 178.613 0.400 . 1 . . . . 64 ASP C . 18465 1 838 . 1 1 64 64 ASP CA C 13 56.451 0.400 . 1 . . . . 64 ASP CA . 18465 1 839 . 1 1 64 64 ASP CB C 13 41.804 0.400 . 1 . . . . 64 ASP CB . 18465 1 840 . 1 1 64 64 ASP N N 15 120.129 0.400 . 1 . . . . 64 ASP N . 18465 1 841 . 1 1 65 65 ILE H H 1 7.695 0.020 . 1 . . . . 65 ILE H . 18465 1 842 . 1 1 65 65 ILE HA H 1 3.589 0.020 . 1 . . . . 65 ILE HA . 18465 1 843 . 1 1 65 65 ILE HB H 1 2.133 0.020 . 1 . . . . 65 ILE HB . 18465 1 844 . 1 1 65 65 ILE HG12 H 1 1.814 0.020 . 2 . . . . 65 ILE HG12 . 18465 1 845 . 1 1 65 65 ILE HG13 H 1 0.913 0.020 . 2 . . . . 65 ILE HG13 . 18465 1 846 . 1 1 65 65 ILE HG21 H 1 0.900 0.020 . 1 . . . . 65 ILE HG21 . 18465 1 847 . 1 1 65 65 ILE HG22 H 1 0.900 0.020 . 1 . . . . 65 ILE HG22 . 18465 1 848 . 1 1 65 65 ILE HG23 H 1 0.900 0.020 . 1 . . . . 65 ILE HG23 . 18465 1 849 . 1 1 65 65 ILE HD11 H 1 0.926 0.020 . 1 . . . . 65 ILE HD11 . 18465 1 850 . 1 1 65 65 ILE HD12 H 1 0.926 0.020 . 1 . . . . 65 ILE HD12 . 18465 1 851 . 1 1 65 65 ILE HD13 H 1 0.926 0.020 . 1 . . . . 65 ILE HD13 . 18465 1 852 . 1 1 65 65 ILE C C 13 176.732 0.400 . 1 . . . . 65 ILE C . 18465 1 853 . 1 1 65 65 ILE CA C 13 65.943 0.400 . 1 . . . . 65 ILE CA . 18465 1 854 . 1 1 65 65 ILE CB C 13 37.648 0.400 . 1 . . . . 65 ILE CB . 18465 1 855 . 1 1 65 65 ILE CG1 C 13 29.948 0.400 . 1 . . . . 65 ILE CG1 . 18465 1 856 . 1 1 65 65 ILE CG2 C 13 16.780 0.400 . 1 . . . . 65 ILE CG2 . 18465 1 857 . 1 1 65 65 ILE CD1 C 13 14.007 0.400 . 1 . . . . 65 ILE CD1 . 18465 1 858 . 1 1 65 65 ILE N N 15 119.905 0.400 . 1 . . . . 65 ILE N . 18465 1 859 . 1 1 66 66 ASP H H 1 7.997 0.020 . 1 . . . . 66 ASP H . 18465 1 860 . 1 1 66 66 ASP HA H 1 4.403 0.020 . 1 . . . . 66 ASP HA . 18465 1 861 . 1 1 66 66 ASP HB2 H 1 2.776 0.020 . 2 . . . . 66 ASP HB2 . 18465 1 862 . 1 1 66 66 ASP HB3 H 1 2.713 0.020 . 2 . . . . 66 ASP HB3 . 18465 1 863 . 1 1 66 66 ASP C C 13 178.926 0.400 . 1 . . . . 66 ASP C . 18465 1 864 . 1 1 66 66 ASP CA C 13 57.231 0.400 . 1 . . . . 66 ASP CA . 18465 1 865 . 1 1 66 66 ASP CB C 13 39.684 0.400 . 1 . . . . 66 ASP CB . 18465 1 866 . 1 1 66 66 ASP N N 15 119.153 0.400 . 1 . . . . 66 ASP N . 18465 1 867 . 1 1 67 67 LYS H H 1 8.018 0.020 . 1 . . . . 67 LYS H . 18465 1 868 . 1 1 67 67 LYS HA H 1 4.068 0.020 . 1 . . . . 67 LYS HA . 18465 1 869 . 1 1 67 67 LYS HB2 H 1 1.944 0.020 . 2 . . . . 67 LYS HB2 . 18465 1 870 . 1 1 67 67 LYS HB3 H 1 1.814 0.020 . 2 . . . . 67 LYS HB3 . 18465 1 871 . 1 1 67 67 LYS HG2 H 1 1.608 0.020 . 2 . . . . 67 LYS HG2 . 18465 1 872 . 1 1 67 67 LYS HG3 H 1 1.353 0.020 . 2 . . . . 67 LYS HG3 . 18465 1 873 . 1 1 67 67 LYS HD2 H 1 1.623 0.020 . 1 . . . . 67 LYS HD2 . 18465 1 874 . 1 1 67 67 LYS HD3 H 1 1.623 0.020 . 1 . . . . 67 LYS HD3 . 18465 1 875 . 1 1 67 67 LYS HE2 H 1 2.899 0.020 . 2 . . . . 67 LYS HE2 . 18465 1 876 . 1 1 67 67 LYS HE3 H 1 2.903 0.020 . 2 . . . . 67 LYS HE3 . 18465 1 877 . 1 1 67 67 LYS C C 13 179.338 0.400 . 1 . . . . 67 LYS C . 18465 1 878 . 1 1 67 67 LYS CA C 13 59.062 0.400 . 1 . . . . 67 LYS CA . 18465 1 879 . 1 1 67 67 LYS CB C 13 32.059 0.400 . 1 . . . . 67 LYS CB . 18465 1 880 . 1 1 67 67 LYS CG C 13 25.348 0.400 . 1 . . . . 67 LYS CG . 18465 1 881 . 1 1 67 67 LYS CD C 13 28.972 0.400 . 1 . . . . 67 LYS CD . 18465 1 882 . 1 1 67 67 LYS CE C 13 41.780 0.400 . 1 . . . . 67 LYS CE . 18465 1 883 . 1 1 67 67 LYS N N 15 119.839 0.400 . 1 . . . . 67 LYS N . 18465 1 884 . 1 1 68 68 TRP H H 1 8.188 0.020 . 1 . . . . 68 TRP H . 18465 1 885 . 1 1 68 68 TRP HA H 1 4.266 0.020 . 1 . . . . 68 TRP HA . 18465 1 886 . 1 1 68 68 TRP HB2 H 1 3.320 0.020 . 2 . . . . 68 TRP HB2 . 18465 1 887 . 1 1 68 68 TRP HB3 H 1 3.305 0.020 . 2 . . . . 68 TRP HB3 . 18465 1 888 . 1 1 68 68 TRP HD1 H 1 7.095 0.020 . 1 . . . . 68 TRP HD1 . 18465 1 889 . 1 1 68 68 TRP HE1 H 1 9.989 0.020 . 1 . . . . 68 TRP HE1 . 18465 1 890 . 1 1 68 68 TRP HE3 H 1 7.466 0.020 . 1 . . . . 68 TRP HE3 . 18465 1 891 . 1 1 68 68 TRP HZ2 H 1 7.249 0.020 . 1 . . . . 68 TRP HZ2 . 18465 1 892 . 1 1 68 68 TRP HZ3 H 1 6.897 0.020 . 1 . . . . 68 TRP HZ3 . 18465 1 893 . 1 1 68 68 TRP HH2 H 1 6.645 0.020 . 1 . . . . 68 TRP HH2 . 18465 1 894 . 1 1 68 68 TRP C C 13 178.123 0.400 . 1 . . . . 68 TRP C . 18465 1 895 . 1 1 68 68 TRP CA C 13 61.405 0.400 . 1 . . . . 68 TRP CA . 18465 1 896 . 1 1 68 68 TRP CB C 13 28.579 0.400 . 1 . . . . 68 TRP CB . 18465 1 897 . 1 1 68 68 TRP CD1 C 13 126.699 0.400 . 1 . . . . 68 TRP CD1 . 18465 1 898 . 1 1 68 68 TRP CE3 C 13 120.144 0.400 . 1 . . . . 68 TRP CE3 . 18465 1 899 . 1 1 68 68 TRP CZ2 C 13 114.190 0.400 . 1 . . . . 68 TRP CZ2 . 18465 1 900 . 1 1 68 68 TRP CZ3 C 13 121.570 0.400 . 1 . . . . 68 TRP CZ3 . 18465 1 901 . 1 1 68 68 TRP CH2 C 13 123.856 0.400 . 1 . . . . 68 TRP CH2 . 18465 1 902 . 1 1 68 68 TRP N N 15 121.937 0.400 . 1 . . . . 68 TRP N . 18465 1 903 . 1 1 68 68 TRP NE1 N 15 127.686 0.400 . 1 . . . . 68 TRP NE1 . 18465 1 904 . 1 1 69 69 ILE H H 1 8.471 0.020 . 1 . . . . 69 ILE H . 18465 1 905 . 1 1 69 69 ILE HA H 1 3.433 0.020 . 1 . . . . 69 ILE HA . 18465 1 906 . 1 1 69 69 ILE HB H 1 2.062 0.020 . 1 . . . . 69 ILE HB . 18465 1 907 . 1 1 69 69 ILE HG12 H 1 2.063 0.020 . 2 . . . . 69 ILE HG12 . 18465 1 908 . 1 1 69 69 ILE HG13 H 1 1.098 0.020 . 2 . . . . 69 ILE HG13 . 18465 1 909 . 1 1 69 69 ILE HG21 H 1 0.888 0.020 . 1 . . . . 69 ILE HG21 . 18465 1 910 . 1 1 69 69 ILE HG22 H 1 0.888 0.020 . 1 . . . . 69 ILE HG22 . 18465 1 911 . 1 1 69 69 ILE HG23 H 1 0.888 0.020 . 1 . . . . 69 ILE HG23 . 18465 1 912 . 1 1 69 69 ILE HD11 H 1 0.853 0.020 . 1 . . . . 69 ILE HD11 . 18465 1 913 . 1 1 69 69 ILE HD12 H 1 0.853 0.020 . 1 . . . . 69 ILE HD12 . 18465 1 914 . 1 1 69 69 ILE HD13 H 1 0.853 0.020 . 1 . . . . 69 ILE HD13 . 18465 1 915 . 1 1 69 69 ILE C C 13 176.987 0.400 . 1 . . . . 69 ILE C . 18465 1 916 . 1 1 69 69 ILE CA C 13 65.348 0.400 . 1 . . . . 69 ILE CA . 18465 1 917 . 1 1 69 69 ILE CB C 13 36.908 0.400 . 1 . . . . 69 ILE CB . 18465 1 918 . 1 1 69 69 ILE CG1 C 13 29.917 0.400 . 1 . . . . 69 ILE CG1 . 18465 1 919 . 1 1 69 69 ILE CG2 C 13 16.996 0.400 . 1 . . . . 69 ILE CG2 . 18465 1 920 . 1 1 69 69 ILE CD1 C 13 12.934 0.400 . 1 . . . . 69 ILE CD1 . 18465 1 921 . 1 1 69 69 ILE N N 15 119.326 0.400 . 1 . . . . 69 ILE N . 18465 1 922 . 1 1 70 70 ASP H H 1 8.063 0.020 . 1 . . . . 70 ASP H . 18465 1 923 . 1 1 70 70 ASP HA H 1 4.300 0.020 . 1 . . . . 70 ASP HA . 18465 1 924 . 1 1 70 70 ASP HB2 H 1 2.730 0.020 . 2 . . . . 70 ASP HB2 . 18465 1 925 . 1 1 70 70 ASP HB3 H 1 2.579 0.020 . 2 . . . . 70 ASP HB3 . 18465 1 926 . 1 1 70 70 ASP C C 13 177.986 0.400 . 1 . . . . 70 ASP C . 18465 1 927 . 1 1 70 70 ASP CA C 13 57.423 0.400 . 1 . . . . 70 ASP CA . 18465 1 928 . 1 1 70 70 ASP CB C 13 40.917 0.400 . 1 . . . . 70 ASP CB . 18465 1 929 . 1 1 70 70 ASP N N 15 118.693 0.400 . 1 . . . . 70 ASP N . 18465 1 930 . 1 1 71 71 LYS H H 1 7.627 0.020 . 1 . . . . 71 LYS H . 18465 1 931 . 1 1 71 71 LYS HA H 1 3.887 0.020 . 1 . . . . 71 LYS HA . 18465 1 932 . 1 1 71 71 LYS HB2 H 1 1.898 0.020 . 2 . . . . 71 LYS HB2 . 18465 1 933 . 1 1 71 71 LYS HB3 H 1 1.829 0.020 . 2 . . . . 71 LYS HB3 . 18465 1 934 . 1 1 71 71 LYS HG2 H 1 1.435 0.020 . 2 . . . . 71 LYS HG2 . 18465 1 935 . 1 1 71 71 LYS HG3 H 1 1.223 0.020 . 2 . . . . 71 LYS HG3 . 18465 1 936 . 1 1 71 71 LYS HD2 H 1 1.623 0.020 . 1 . . . . 71 LYS HD2 . 18465 1 937 . 1 1 71 71 LYS HD3 H 1 1.623 0.020 . 1 . . . . 71 LYS HD3 . 18465 1 938 . 1 1 71 71 LYS HE2 H 1 2.820 0.020 . 2 . . . . 71 LYS HE2 . 18465 1 939 . 1 1 71 71 LYS HE3 H 1 2.815 0.020 . 2 . . . . 71 LYS HE3 . 18465 1 940 . 1 1 71 71 LYS C C 13 178.848 0.400 . 1 . . . . 71 LYS C . 18465 1 941 . 1 1 71 71 LYS CA C 13 59.419 0.400 . 1 . . . . 71 LYS CA . 18465 1 942 . 1 1 71 71 LYS CB C 13 32.332 0.400 . 1 . . . . 71 LYS CB . 18465 1 943 . 1 1 71 71 LYS CG C 13 24.796 0.400 . 1 . . . . 71 LYS CG . 18465 1 944 . 1 1 71 71 LYS CD C 13 29.280 0.400 . 1 . . . . 71 LYS CD . 18465 1 945 . 1 1 71 71 LYS CE C 13 41.780 0.400 . 1 . . . . 71 LYS CE . 18465 1 946 . 1 1 71 71 LYS N N 15 119.442 0.400 . 1 . . . . 71 LYS N . 18465 1 947 . 1 1 72 72 ILE H H 1 7.975 0.020 . 1 . . . . 72 ILE H . 18465 1 948 . 1 1 72 72 ILE HA H 1 3.642 0.020 . 1 . . . . 72 ILE HA . 18465 1 949 . 1 1 72 72 ILE HB H 1 1.400 0.020 . 1 . . . . 72 ILE HB . 18465 1 950 . 1 1 72 72 ILE HG12 H 1 0.601 0.020 . 2 . . . . 72 ILE HG12 . 18465 1 951 . 1 1 72 72 ILE HG13 H 1 1.267 0.020 . 2 . . . . 72 ILE HG13 . 18465 1 952 . 1 1 72 72 ILE HG21 H 1 0.471 0.020 . 1 . . . . 72 ILE HG21 . 18465 1 953 . 1 1 72 72 ILE HG22 H 1 0.471 0.020 . 1 . . . . 72 ILE HG22 . 18465 1 954 . 1 1 72 72 ILE HG23 H 1 0.471 0.020 . 1 . . . . 72 ILE HG23 . 18465 1 955 . 1 1 72 72 ILE HD11 H 1 0.175 0.020 . 1 . . . . 72 ILE HD11 . 18465 1 956 . 1 1 72 72 ILE HD12 H 1 0.175 0.020 . 1 . . . . 72 ILE HD12 . 18465 1 957 . 1 1 72 72 ILE HD13 H 1 0.175 0.020 . 1 . . . . 72 ILE HD13 . 18465 1 958 . 1 1 72 72 ILE C C 13 177.829 0.400 . 1 . . . . 72 ILE C . 18465 1 959 . 1 1 72 72 ILE CA C 13 64.244 0.400 . 1 . . . . 72 ILE CA . 18465 1 960 . 1 1 72 72 ILE CB C 13 37.285 0.400 . 1 . . . . 72 ILE CB . 18465 1 961 . 1 1 72 72 ILE CG1 C 13 28.276 0.400 . 1 . . . . 72 ILE CG1 . 18465 1 962 . 1 1 72 72 ILE CG2 C 13 16.868 0.400 . 1 . . . . 72 ILE CG2 . 18465 1 963 . 1 1 72 72 ILE CD1 C 13 12.820 0.400 . 1 . . . . 72 ILE CD1 . 18465 1 964 . 1 1 72 72 ILE N N 15 120.541 0.400 . 1 . . . . 72 ILE N . 18465 1 965 . 1 1 73 73 LYS H H 1 8.042 0.020 . 1 . . . . 73 LYS H . 18465 1 966 . 1 1 73 73 LYS HA H 1 3.918 0.020 . 1 . . . . 73 LYS HA . 18465 1 967 . 1 1 73 73 LYS HB2 H 1 1.815 0.020 . 1 . . . . 73 LYS HB2 . 18465 1 968 . 1 1 73 73 LYS HB3 H 1 1.814 0.020 . 1 . . . . 73 LYS HB3 . 18465 1 969 . 1 1 73 73 LYS HG2 H 1 1.631 0.020 . 2 . . . . 73 LYS HG2 . 18465 1 970 . 1 1 73 73 LYS HG3 H 1 1.395 0.020 . 2 . . . . 73 LYS HG3 . 18465 1 971 . 1 1 73 73 LYS HD2 H 1 1.645 0.020 . 2 . . . . 73 LYS HD2 . 18465 1 972 . 1 1 73 73 LYS HD3 H 1 1.647 0.020 . 2 . . . . 73 LYS HD3 . 18465 1 973 . 1 1 73 73 LYS HE2 H 1 2.971 0.020 . 2 . . . . 73 LYS HE2 . 18465 1 974 . 1 1 73 73 LYS HE3 H 1 2.875 0.020 . 2 . . . . 73 LYS HE3 . 18465 1 975 . 1 1 73 73 LYS C C 13 178.868 0.400 . 1 . . . . 73 LYS C . 18465 1 976 . 1 1 73 73 LYS CA C 13 58.788 0.400 . 1 . . . . 73 LYS CA . 18465 1 977 . 1 1 73 73 LYS CB C 13 32.433 0.400 . 1 . . . . 73 LYS CB . 18465 1 978 . 1 1 73 73 LYS CG C 13 25.801 0.400 . 1 . . . . 73 LYS CG . 18465 1 979 . 1 1 73 73 LYS CD C 13 29.191 0.400 . 1 . . . . 73 LYS CD . 18465 1 980 . 1 1 73 73 LYS CE C 13 41.780 0.400 . 1 . . . . 73 LYS CE . 18465 1 981 . 1 1 73 73 LYS N N 15 118.794 0.400 . 1 . . . . 73 LYS N . 18465 1 982 . 1 1 74 74 LYS H H 1 7.598 0.020 . 1 . . . . 74 LYS H . 18465 1 983 . 1 1 74 74 LYS HA H 1 3.976 0.020 . 1 . . . . 74 LYS HA . 18465 1 984 . 1 1 74 74 LYS HB2 H 1 1.874 0.020 . 2 . . . . 74 LYS HB2 . 18465 1 985 . 1 1 74 74 LYS HB3 H 1 1.885 0.020 . 2 . . . . 74 LYS HB3 . 18465 1 986 . 1 1 74 74 LYS HG2 H 1 1.417 0.020 . 2 . . . . 74 LYS HG2 . 18465 1 987 . 1 1 74 74 LYS HG3 H 1 1.543 0.020 . 2 . . . . 74 LYS HG3 . 18465 1 988 . 1 1 74 74 LYS HD2 H 1 1.623 0.020 . 1 . . . . 74 LYS HD2 . 18465 1 989 . 1 1 74 74 LYS HD3 H 1 1.623 0.020 . 1 . . . . 74 LYS HD3 . 18465 1 990 . 1 1 74 74 LYS HE2 H 1 2.943 0.020 . 1 . . . . 74 LYS HE2 . 18465 1 991 . 1 1 74 74 LYS HE3 H 1 2.943 0.020 . 1 . . . . 74 LYS HE3 . 18465 1 992 . 1 1 74 74 LYS C C 13 178.476 0.400 . 1 . . . . 74 LYS C . 18465 1 993 . 1 1 74 74 LYS CA C 13 58.208 0.400 . 1 . . . . 74 LYS CA . 18465 1 994 . 1 1 74 74 LYS CB C 13 32.279 0.400 . 1 . . . . 74 LYS CB . 18465 1 995 . 1 1 74 74 LYS CG C 13 25.252 0.400 . 1 . . . . 74 LYS CG . 18465 1 996 . 1 1 74 74 LYS CD C 13 28.748 0.400 . 1 . . . . 74 LYS CD . 18465 1 997 . 1 1 74 74 LYS CE C 13 41.780 0.400 . 1 . . . . 74 LYS CE . 18465 1 998 . 1 1 74 74 LYS N N 15 117.163 0.400 . 1 . . . . 74 LYS N . 18465 1 999 . 1 1 75 75 GLU H H 1 7.692 0.020 . 1 . . . . 75 GLU H . 18465 1 1000 . 1 1 75 75 GLU HA H 1 4.110 0.020 . 1 . . . . 75 GLU HA . 18465 1 1001 . 1 1 75 75 GLU HB2 H 1 2.081 0.020 . 2 . . . . 75 GLU HB2 . 18465 1 1002 . 1 1 75 75 GLU HB3 H 1 2.101 0.020 . 2 . . . . 75 GLU HB3 . 18465 1 1003 . 1 1 75 75 GLU HG2 H 1 2.251 0.020 . 2 . . . . 75 GLU HG2 . 18465 1 1004 . 1 1 75 75 GLU HG3 H 1 2.488 0.020 . 2 . . . . 75 GLU HG3 . 18465 1 1005 . 1 1 75 75 GLU C C 13 176.936 0.400 . 1 . . . . 75 GLU C . 18465 1 1006 . 1 1 75 75 GLU CA C 13 57.630 0.400 . 1 . . . . 75 GLU CA . 18465 1 1007 . 1 1 75 75 GLU CB C 13 30.347 0.400 . 1 . . . . 75 GLU CB . 18465 1 1008 . 1 1 75 75 GLU CG C 13 36.306 0.400 . 1 . . . . 75 GLU CG . 18465 1 1009 . 1 1 75 75 GLU N N 15 117.495 0.400 . 1 . . . . 75 GLU N . 18465 1 1010 . 1 1 76 76 ARG H H 1 7.664 0.020 . 1 . . . . 76 ARG H . 18465 1 1011 . 1 1 76 76 ARG HA H 1 4.822 0.020 . 1 . . . . 76 ARG HA . 18465 1 1012 . 1 1 76 76 ARG HB2 H 1 1.695 0.020 . 2 . . . . 76 ARG HB2 . 18465 1 1013 . 1 1 76 76 ARG HB3 H 1 1.822 0.020 . 2 . . . . 76 ARG HB3 . 18465 1 1014 . 1 1 76 76 ARG HG2 H 1 1.591 0.020 . 2 . . . . 76 ARG HG2 . 18465 1 1015 . 1 1 76 76 ARG HG3 H 1 1.593 0.020 . 2 . . . . 76 ARG HG3 . 18465 1 1016 . 1 1 76 76 ARG HD2 H 1 3.147 0.020 . 1 . . . . 76 ARG HD2 . 18465 1 1017 . 1 1 76 76 ARG HD3 H 1 3.146 0.020 . 1 . . . . 76 ARG HD3 . 18465 1 1018 . 1 1 76 76 ARG CA C 13 52.377 0.400 . 1 . . . . 76 ARG CA . 18465 1 1019 . 1 1 76 76 ARG CB C 13 30.000 0.400 . 1 . . . . 76 ARG CB . 18465 1 1020 . 1 1 76 76 ARG CG C 13 25.772 0.400 . 1 . . . . 76 ARG CG . 18465 1 1021 . 1 1 76 76 ARG CD C 13 43.100 0.400 . 1 . . . . 76 ARG CD . 18465 1 1022 . 1 1 76 76 ARG N N 15 118.289 0.400 . 1 . . . . 76 ARG N . 18465 1 1023 . 1 1 77 77 PRO HA H 1 4.551 0.020 . 1 . . . . 77 PRO HA . 18465 1 1024 . 1 1 77 77 PRO HB2 H 1 1.955 0.020 . 2 . . . . 77 PRO HB2 . 18465 1 1025 . 1 1 77 77 PRO HB3 H 1 2.323 0.020 . 2 . . . . 77 PRO HB3 . 18465 1 1026 . 1 1 77 77 PRO HG2 H 1 1.943 0.020 . 2 . . . . 77 PRO HG2 . 18465 1 1027 . 1 1 77 77 PRO HG3 H 1 1.990 0.020 . 2 . . . . 77 PRO HG3 . 18465 1 1028 . 1 1 77 77 PRO HD2 H 1 3.586 0.020 . 2 . . . . 77 PRO HD2 . 18465 1 1029 . 1 1 77 77 PRO HD3 H 1 3.408 0.020 . 2 . . . . 77 PRO HD3 . 18465 1 1030 . 1 1 77 77 PRO C C 13 177.633 0.400 . 1 . . . . 77 PRO C . 18465 1 1031 . 1 1 77 77 PRO CA C 13 64.193 0.400 . 1 . . . . 77 PRO CA . 18465 1 1032 . 1 1 77 77 PRO CB C 13 32.000 0.400 . 1 . . . . 77 PRO CB . 18465 1 1033 . 1 1 77 77 PRO CG C 13 27.107 0.400 . 1 . . . . 77 PRO CG . 18465 1 1034 . 1 1 77 77 PRO CD C 13 49.921 0.400 . 1 . . . . 77 PRO CD . 18465 1 1035 . 1 1 78 78 GLN H H 1 8.685 0.020 . 1 . . . . 78 GLN H . 18465 1 1036 . 1 1 78 78 GLN HA H 1 4.225 0.020 . 1 . . . . 78 GLN HA . 18465 1 1037 . 1 1 78 78 GLN HB2 H 1 2.259 0.020 . 2 . . . . 78 GLN HB2 . 18465 1 1038 . 1 1 78 78 GLN HB3 H 1 2.105 0.020 . 2 . . . . 78 GLN HB3 . 18465 1 1039 . 1 1 78 78 GLN HG2 H 1 2.333 0.020 . 2 . . . . 78 GLN HG2 . 18465 1 1040 . 1 1 78 78 GLN HG3 H 1 2.402 0.020 . 2 . . . . 78 GLN HG3 . 18465 1 1041 . 1 1 78 78 GLN HE21 H 1 7.586 0.020 . 2 . . . . 78 GLN HE21 . 18465 1 1042 . 1 1 78 78 GLN HE22 H 1 6.918 0.020 . 2 . . . . 78 GLN HE22 . 18465 1 1043 . 1 1 78 78 GLN C C 13 175.380 0.400 . 1 . . . . 78 GLN C . 18465 1 1044 . 1 1 78 78 GLN CA C 13 56.130 0.400 . 1 . . . . 78 GLN CA . 18465 1 1045 . 1 1 78 78 GLN CB C 13 27.355 0.400 . 1 . . . . 78 GLN CB . 18465 1 1046 . 1 1 78 78 GLN CG C 13 34.033 0.400 . 1 . . . . 78 GLN CG . 18465 1 1047 . 1 1 78 78 GLN N N 15 115.557 0.400 . 1 . . . . 78 GLN N . 18465 1 1048 . 1 1 78 78 GLN NE2 N 15 111.810 0.400 . 1 . . . . 78 GLN NE2 . 18465 1 1049 . 1 1 79 79 LEU H H 1 7.642 0.020 . 1 . . . . 79 LEU H . 18465 1 1050 . 1 1 79 79 LEU HA H 1 4.449 0.020 . 1 . . . . 79 LEU HA . 18465 1 1051 . 1 1 79 79 LEU HB2 H 1 1.657 0.020 . 2 . . . . 79 LEU HB2 . 18465 1 1052 . 1 1 79 79 LEU HB3 H 1 1.402 0.020 . 2 . . . . 79 LEU HB3 . 18465 1 1053 . 1 1 79 79 LEU HG H 1 1.493 0.020 . 1 . . . . 79 LEU HG . 18465 1 1054 . 1 1 79 79 LEU HD11 H 1 0.791 0.020 . 2 . . . . 79 LEU HD11 . 18465 1 1055 . 1 1 79 79 LEU HD12 H 1 0.791 0.020 . 2 . . . . 79 LEU HD12 . 18465 1 1056 . 1 1 79 79 LEU HD13 H 1 0.791 0.020 . 2 . . . . 79 LEU HD13 . 18465 1 1057 . 1 1 79 79 LEU HD21 H 1 0.728 0.020 . 2 . . . . 79 LEU HD21 . 18465 1 1058 . 1 1 79 79 LEU HD22 H 1 0.728 0.020 . 2 . . . . 79 LEU HD22 . 18465 1 1059 . 1 1 79 79 LEU HD23 H 1 0.728 0.020 . 2 . . . . 79 LEU HD23 . 18465 1 1060 . 1 1 79 79 LEU C C 13 175.889 0.400 . 1 . . . . 79 LEU C . 18465 1 1061 . 1 1 79 79 LEU CA C 13 54.345 0.400 . 1 . . . . 79 LEU CA . 18465 1 1062 . 1 1 79 79 LEU CB C 13 43.220 0.400 . 1 . . . . 79 LEU CB . 18465 1 1063 . 1 1 79 79 LEU CG C 13 24.620 0.400 . 1 . . . . 79 LEU CG . 18465 1 1064 . 1 1 79 79 LEU CD1 C 13 24.794 0.400 . 1 . . . . 79 LEU CD1 . 18465 1 1065 . 1 1 79 79 LEU CD2 C 13 24.160 0.400 . 1 . . . . 79 LEU CD2 . 18465 1 1066 . 1 1 79 79 LEU N N 15 121.256 0.400 . 1 . . . . 79 LEU N . 18465 1 1067 . 1 1 80 80 GLU H H 1 8.325 0.020 . 1 . . . . 80 GLU H . 18465 1 1068 . 1 1 80 80 GLU HA H 1 4.430 0.020 . 1 . . . . 80 GLU HA . 18465 1 1069 . 1 1 80 80 GLU HB2 H 1 1.982 0.020 . 1 . . . . 80 GLU HB2 . 18465 1 1070 . 1 1 80 80 GLU HB3 H 1 1.981 0.020 . 1 . . . . 80 GLU HB3 . 18465 1 1071 . 1 1 80 80 GLU HG2 H 1 2.014 0.020 . 2 . . . . 80 GLU HG2 . 18465 1 1072 . 1 1 80 80 GLU HG3 H 1 2.334 0.020 . 2 . . . . 80 GLU HG3 . 18465 1 1073 . 1 1 80 80 GLU C C 13 174.655 0.400 . 1 . . . . 80 GLU C . 18465 1 1074 . 1 1 80 80 GLU CA C 13 55.327 0.400 . 1 . . . . 80 GLU CA . 18465 1 1075 . 1 1 80 80 GLU CB C 13 30.862 0.400 . 1 . . . . 80 GLU CB . 18465 1 1076 . 1 1 80 80 GLU CG C 13 36.162 0.400 . 1 . . . . 80 GLU CG . 18465 1 1077 . 1 1 80 80 GLU N N 15 123.689 0.400 . 1 . . . . 80 GLU N . 18465 1 1078 . 1 1 81 81 VAL H H 1 8.633 0.020 . 1 . . . . 81 VAL H . 18465 1 1079 . 1 1 81 81 VAL HA H 1 4.588 0.020 . 1 . . . . 81 VAL HA . 18465 1 1080 . 1 1 81 81 VAL HB H 1 1.883 0.020 . 1 . . . . 81 VAL HB . 18465 1 1081 . 1 1 81 81 VAL HG11 H 1 0.745 0.020 . 2 . . . . 81 VAL HG11 . 18465 1 1082 . 1 1 81 81 VAL HG12 H 1 0.745 0.020 . 2 . . . . 81 VAL HG12 . 18465 1 1083 . 1 1 81 81 VAL HG13 H 1 0.745 0.020 . 2 . . . . 81 VAL HG13 . 18465 1 1084 . 1 1 81 81 VAL HG21 H 1 0.767 0.020 . 2 . . . . 81 VAL HG21 . 18465 1 1085 . 1 1 81 81 VAL HG22 H 1 0.767 0.020 . 2 . . . . 81 VAL HG22 . 18465 1 1086 . 1 1 81 81 VAL HG23 H 1 0.767 0.020 . 2 . . . . 81 VAL HG23 . 18465 1 1087 . 1 1 81 81 VAL C C 13 175.556 0.400 . 1 . . . . 81 VAL C . 18465 1 1088 . 1 1 81 81 VAL CA C 13 61.058 0.400 . 1 . . . . 81 VAL CA . 18465 1 1089 . 1 1 81 81 VAL CB C 13 32.875 0.400 . 1 . . . . 81 VAL CB . 18465 1 1090 . 1 1 81 81 VAL CG1 C 13 21.051 0.400 . 1 . . . . 81 VAL CG1 . 18465 1 1091 . 1 1 81 81 VAL CG2 C 13 21.224 0.400 . 1 . . . . 81 VAL CG2 . 18465 1 1092 . 1 1 81 81 VAL N N 15 125.864 0.400 . 1 . . . . 81 VAL N . 18465 1 1093 . 1 1 82 82 ARG H H 1 8.759 0.020 . 1 . . . . 82 ARG H . 18465 1 1094 . 1 1 82 82 ARG HA H 1 4.738 0.020 . 1 . . . . 82 ARG HA . 18465 1 1095 . 1 1 82 82 ARG HB2 H 1 1.813 0.020 . 2 . . . . 82 ARG HB2 . 18465 1 1096 . 1 1 82 82 ARG HB3 H 1 1.734 0.020 . 2 . . . . 82 ARG HB3 . 18465 1 1097 . 1 1 82 82 ARG HG2 H 1 1.494 0.020 . 2 . . . . 82 ARG HG2 . 18465 1 1098 . 1 1 82 82 ARG HG3 H 1 1.483 0.020 . 2 . . . . 82 ARG HG3 . 18465 1 1099 . 1 1 82 82 ARG HD2 H 1 3.159 0.020 . 2 . . . . 82 ARG HD2 . 18465 1 1100 . 1 1 82 82 ARG HD3 H 1 3.157 0.020 . 2 . . . . 82 ARG HD3 . 18465 1 1101 . 1 1 82 82 ARG C C 13 175.596 0.400 . 1 . . . . 82 ARG C . 18465 1 1102 . 1 1 82 82 ARG CA C 13 53.171 0.400 . 1 . . . . 82 ARG CA . 18465 1 1103 . 1 1 82 82 ARG CB C 13 31.397 0.400 . 1 . . . . 82 ARG CB . 18465 1 1104 . 1 1 82 82 ARG CG C 13 26.278 0.400 . 1 . . . . 82 ARG CG . 18465 1 1105 . 1 1 82 82 ARG CD C 13 42.316 0.400 . 1 . . . . 82 ARG CD . 18465 1 1106 . 1 1 82 82 ARG N N 15 127.773 0.400 . 1 . . . . 82 ARG N . 18465 1 1107 . 1 1 83 83 LYS H H 1 8.799 0.020 . 1 . . . . 83 LYS H . 18465 1 1108 . 1 1 83 83 LYS HA H 1 4.826 0.020 . 1 . . . . 83 LYS HA . 18465 1 1109 . 1 1 83 83 LYS HB2 H 1 1.803 0.020 . 2 . . . . 83 LYS HB2 . 18465 1 1110 . 1 1 83 83 LYS HB3 H 1 1.606 0.020 . 2 . . . . 83 LYS HB3 . 18465 1 1111 . 1 1 83 83 LYS HG2 H 1 1.280 0.020 . 2 . . . . 83 LYS HG2 . 18465 1 1112 . 1 1 83 83 LYS HG3 H 1 1.133 0.020 . 2 . . . . 83 LYS HG3 . 18465 1 1113 . 1 1 83 83 LYS HD2 H 1 1.631 0.020 . 1 . . . . 83 LYS HD2 . 18465 1 1114 . 1 1 83 83 LYS HD3 H 1 1.631 0.020 . 1 . . . . 83 LYS HD3 . 18465 1 1115 . 1 1 83 83 LYS HE2 H 1 2.731 0.020 . 2 . . . . 83 LYS HE2 . 18465 1 1116 . 1 1 83 83 LYS HE3 H 1 2.784 0.020 . 2 . . . . 83 LYS HE3 . 18465 1 1117 . 1 1 83 83 LYS C C 13 175.596 0.400 . 1 . . . . 83 LYS C . 18465 1 1118 . 1 1 83 83 LYS CA C 13 55.754 0.400 . 1 . . . . 83 LYS CA . 18465 1 1119 . 1 1 83 83 LYS CB C 13 33.590 0.400 . 1 . . . . 83 LYS CB . 18465 1 1120 . 1 1 83 83 LYS CG C 13 25.311 0.400 . 1 . . . . 83 LYS CG . 18465 1 1121 . 1 1 83 83 LYS CD C 13 29.309 0.400 . 1 . . . . 83 LYS CD . 18465 1 1122 . 1 1 83 83 LYS CE C 13 41.387 0.400 . 1 . . . . 83 LYS CE . 18465 1 1123 . 1 1 83 83 LYS N N 15 126.876 0.400 . 1 . . . . 83 LYS N . 18465 1 1124 . 1 1 84 84 VAL H H 1 9.384 0.020 . 1 . . . . 84 VAL H . 18465 1 1125 . 1 1 84 84 VAL HA H 1 4.563 0.020 . 1 . . . . 84 VAL HA . 18465 1 1126 . 1 1 84 84 VAL HB H 1 1.963 0.020 . 1 . . . . 84 VAL HB . 18465 1 1127 . 1 1 84 84 VAL HG11 H 1 0.919 0.020 . 2 . . . . 84 VAL HG11 . 18465 1 1128 . 1 1 84 84 VAL HG12 H 1 0.919 0.020 . 2 . . . . 84 VAL HG12 . 18465 1 1129 . 1 1 84 84 VAL HG13 H 1 0.919 0.020 . 2 . . . . 84 VAL HG13 . 18465 1 1130 . 1 1 84 84 VAL HG21 H 1 0.739 0.020 . 2 . . . . 84 VAL HG21 . 18465 1 1131 . 1 1 84 84 VAL HG22 H 1 0.739 0.020 . 2 . . . . 84 VAL HG22 . 18465 1 1132 . 1 1 84 84 VAL HG23 H 1 0.739 0.020 . 2 . . . . 84 VAL HG23 . 18465 1 1133 . 1 1 84 84 VAL C C 13 174.929 0.400 . 1 . . . . 84 VAL C . 18465 1 1134 . 1 1 84 84 VAL CA C 13 61.192 0.400 . 1 . . . . 84 VAL CA . 18465 1 1135 . 1 1 84 84 VAL CB C 13 33.950 0.400 . 1 . . . . 84 VAL CB . 18465 1 1136 . 1 1 84 84 VAL CG1 C 13 21.829 0.400 . 1 . . . . 84 VAL CG1 . 18465 1 1137 . 1 1 84 84 VAL CG2 C 13 21.529 0.400 . 1 . . . . 84 VAL CG2 . 18465 1 1138 . 1 1 84 84 VAL N N 15 128.808 0.400 . 1 . . . . 84 VAL N . 18465 1 1139 . 1 1 85 85 THR H H 1 9.074 0.020 . 1 . . . . 85 THR H . 18465 1 1140 . 1 1 85 85 THR HA H 1 4.768 0.020 . 1 . . . . 85 THR HA . 18465 1 1141 . 1 1 85 85 THR HB H 1 4.552 0.020 . 1 . . . . 85 THR HB . 18465 1 1142 . 1 1 85 85 THR HG21 H 1 1.151 0.020 . 1 . . . . 85 THR HG21 . 18465 1 1143 . 1 1 85 85 THR HG22 H 1 1.151 0.020 . 1 . . . . 85 THR HG22 . 18465 1 1144 . 1 1 85 85 THR HG23 H 1 1.151 0.020 . 1 . . . . 85 THR HG23 . 18465 1 1145 . 1 1 85 85 THR C C 13 174.165 0.400 . 1 . . . . 85 THR C . 18465 1 1146 . 1 1 85 85 THR CA C 13 60.256 0.400 . 1 . . . . 85 THR CA . 18465 1 1147 . 1 1 85 85 THR CB C 13 70.134 0.400 . 1 . . . . 85 THR CB . 18465 1 1148 . 1 1 85 85 THR CG2 C 13 21.857 0.400 . 1 . . . . 85 THR CG2 . 18465 1 1149 . 1 1 85 85 THR N N 15 113.493 0.400 . 1 . . . . 85 THR N . 18465 1 1150 . 1 1 86 86 ASP H H 1 7.654 0.020 . 1 . . . . 86 ASP H . 18465 1 1151 . 1 1 86 86 ASP HA H 1 4.857 0.020 . 1 . . . . 86 ASP HA . 18465 1 1152 . 1 1 86 86 ASP HB2 H 1 2.821 0.020 . 2 . . . . 86 ASP HB2 . 18465 1 1153 . 1 1 86 86 ASP HB3 H 1 3.011 0.020 . 2 . . . . 86 ASP HB3 . 18465 1 1154 . 1 1 86 86 ASP C C 13 175.067 0.400 . 1 . . . . 86 ASP C . 18465 1 1155 . 1 1 86 86 ASP CA C 13 53.119 0.400 . 1 . . . . 86 ASP CA . 18465 1 1156 . 1 1 86 86 ASP CB C 13 43.132 0.400 . 1 . . . . 86 ASP CB . 18465 1 1157 . 1 1 86 86 ASP N N 15 118.543 0.400 . 1 . . . . 86 ASP N . 18465 1 1158 . 1 1 87 87 GLU H H 1 9.059 0.020 . 1 . . . . 87 GLU H . 18465 1 1159 . 1 1 87 87 GLU HA H 1 3.773 0.020 . 1 . . . . 87 GLU HA . 18465 1 1160 . 1 1 87 87 GLU HB2 H 1 2.043 0.020 . 2 . . . . 87 GLU HB2 . 18465 1 1161 . 1 1 87 87 GLU HB3 H 1 1.992 0.020 . 2 . . . . 87 GLU HB3 . 18465 1 1162 . 1 1 87 87 GLU HG2 H 1 2.180 0.020 . 1 . . . . 87 GLU HG2 . 18465 1 1163 . 1 1 87 87 GLU HG3 H 1 2.180 0.020 . 1 . . . . 87 GLU HG3 . 18465 1 1164 . 1 1 87 87 GLU C C 13 177.163 0.400 . 1 . . . . 87 GLU C . 18465 1 1165 . 1 1 87 87 GLU CA C 13 59.052 0.400 . 1 . . . . 87 GLU CA . 18465 1 1166 . 1 1 87 87 GLU CB C 13 29.602 0.400 . 1 . . . . 87 GLU CB . 18465 1 1167 . 1 1 87 87 GLU CG C 13 35.932 0.400 . 1 . . . . 87 GLU CG . 18465 1 1168 . 1 1 87 87 GLU N N 15 118.863 0.400 . 1 . . . . 87 GLU N . 18465 1 1169 . 1 1 88 88 ASP H H 1 8.429 0.020 . 1 . . . . 88 ASP H . 18465 1 1170 . 1 1 88 88 ASP HA H 1 4.388 0.020 . 1 . . . . 88 ASP HA . 18465 1 1171 . 1 1 88 88 ASP HB2 H 1 2.789 0.020 . 2 . . . . 88 ASP HB2 . 18465 1 1172 . 1 1 88 88 ASP HB3 H 1 2.641 0.020 . 2 . . . . 88 ASP HB3 . 18465 1 1173 . 1 1 88 88 ASP C C 13 179.357 0.400 . 1 . . . . 88 ASP C . 18465 1 1174 . 1 1 88 88 ASP CA C 13 57.577 0.400 . 1 . . . . 88 ASP CA . 18465 1 1175 . 1 1 88 88 ASP CB C 13 40.095 0.400 . 1 . . . . 88 ASP CB . 18465 1 1176 . 1 1 88 88 ASP N N 15 121.649 0.400 . 1 . . . . 88 ASP N . 18465 1 1177 . 1 1 89 89 GLN H H 1 8.641 0.020 . 1 . . . . 89 GLN H . 18465 1 1178 . 1 1 89 89 GLN HA H 1 4.103 0.020 . 1 . . . . 89 GLN HA . 18465 1 1179 . 1 1 89 89 GLN HB2 H 1 2.413 0.020 . 2 . . . . 89 GLN HB2 . 18465 1 1180 . 1 1 89 89 GLN HB3 H 1 2.053 0.020 . 2 . . . . 89 GLN HB3 . 18465 1 1181 . 1 1 89 89 GLN HG2 H 1 2.465 0.020 . 2 . . . . 89 GLN HG2 . 18465 1 1182 . 1 1 89 89 GLN HG3 H 1 2.861 0.020 . 2 . . . . 89 GLN HG3 . 18465 1 1183 . 1 1 89 89 GLN HE21 H 1 7.410 0.020 . 2 . . . . 89 GLN HE21 . 18465 1 1184 . 1 1 89 89 GLN HE22 H 1 6.639 0.020 . 2 . . . . 89 GLN HE22 . 18465 1 1185 . 1 1 89 89 GLN C C 13 179.299 0.400 . 1 . . . . 89 GLN C . 18465 1 1186 . 1 1 89 89 GLN CA C 13 58.186 0.400 . 1 . . . . 89 GLN CA . 18465 1 1187 . 1 1 89 89 GLN CB C 13 29.219 0.400 . 1 . . . . 89 GLN CB . 18465 1 1188 . 1 1 89 89 GLN CG C 13 33.572 0.400 . 1 . . . . 89 GLN CG . 18465 1 1189 . 1 1 89 89 GLN N N 15 120.106 0.400 . 1 . . . . 89 GLN N . 18465 1 1190 . 1 1 89 89 GLN NE2 N 15 110.296 0.400 . 1 . . . . 89 GLN NE2 . 18465 1 1191 . 1 1 90 90 ALA H H 1 7.618 0.020 . 1 . . . . 90 ALA H . 18465 1 1192 . 1 1 90 90 ALA HA H 1 3.936 0.020 . 1 . . . . 90 ALA HA . 18465 1 1193 . 1 1 90 90 ALA HB1 H 1 1.398 0.020 . 1 . . . . 90 ALA HB1 . 18465 1 1194 . 1 1 90 90 ALA HB2 H 1 1.398 0.020 . 1 . . . . 90 ALA HB2 . 18465 1 1195 . 1 1 90 90 ALA HB3 H 1 1.398 0.020 . 1 . . . . 90 ALA HB3 . 18465 1 1196 . 1 1 90 90 ALA C C 13 178.378 0.400 . 1 . . . . 90 ALA C . 18465 1 1197 . 1 1 90 90 ALA CA C 13 54.894 0.400 . 1 . . . . 90 ALA CA . 18465 1 1198 . 1 1 90 90 ALA CB C 13 18.819 0.400 . 1 . . . . 90 ALA CB . 18465 1 1199 . 1 1 90 90 ALA N N 15 121.004 0.400 . 1 . . . . 90 ALA N . 18465 1 1200 . 1 1 91 91 LYS H H 1 8.641 0.020 . 1 . . . . 91 LYS H . 18465 1 1201 . 1 1 91 91 LYS HA H 1 3.903 0.020 . 1 . . . . 91 LYS HA . 18465 1 1202 . 1 1 91 91 LYS HB2 H 1 1.951 0.020 . 2 . . . . 91 LYS HB2 . 18465 1 1203 . 1 1 91 91 LYS HB3 H 1 1.964 0.020 . 2 . . . . 91 LYS HB3 . 18465 1 1204 . 1 1 91 91 LYS HG2 H 1 1.422 0.020 . 2 . . . . 91 LYS HG2 . 18465 1 1205 . 1 1 91 91 LYS HG3 H 1 1.764 0.020 . 2 . . . . 91 LYS HG3 . 18465 1 1206 . 1 1 91 91 LYS HD2 H 1 1.720 0.020 . 2 . . . . 91 LYS HD2 . 18465 1 1207 . 1 1 91 91 LYS HD3 H 1 1.711 0.020 . 2 . . . . 91 LYS HD3 . 18465 1 1208 . 1 1 91 91 LYS HE2 H 1 2.920 0.020 . 1 . . . . 91 LYS HE2 . 18465 1 1209 . 1 1 91 91 LYS HE3 H 1 2.920 0.020 . 1 . . . . 91 LYS HE3 . 18465 1 1210 . 1 1 91 91 LYS C C 13 179.024 0.400 . 1 . . . . 91 LYS C . 18465 1 1211 . 1 1 91 91 LYS CA C 13 60.132 0.400 . 1 . . . . 91 LYS CA . 18465 1 1212 . 1 1 91 91 LYS CB C 13 32.029 0.400 . 1 . . . . 91 LYS CB . 18465 1 1213 . 1 1 91 91 LYS CG C 13 26.487 0.400 . 1 . . . . 91 LYS CG . 18465 1 1214 . 1 1 91 91 LYS CD C 13 29.104 0.400 . 1 . . . . 91 LYS CD . 18465 1 1215 . 1 1 91 91 LYS CE C 13 41.780 0.400 . 1 . . . . 91 LYS CE . 18465 1 1216 . 1 1 91 91 LYS N N 15 117.163 0.400 . 1 . . . . 91 LYS N . 18465 1 1217 . 1 1 92 92 GLN H H 1 7.914 0.020 . 1 . . . . 92 GLN H . 18465 1 1218 . 1 1 92 92 GLN HA H 1 4.002 0.020 . 1 . . . . 92 GLN HA . 18465 1 1219 . 1 1 92 92 GLN HB2 H 1 2.210 0.020 . 2 . . . . 92 GLN HB2 . 18465 1 1220 . 1 1 92 92 GLN HB3 H 1 2.207 0.020 . 2 . . . . 92 GLN HB3 . 18465 1 1221 . 1 1 92 92 GLN HG2 H 1 2.416 0.020 . 2 . . . . 92 GLN HG2 . 18465 1 1222 . 1 1 92 92 GLN HG3 H 1 2.485 0.020 . 2 . . . . 92 GLN HG3 . 18465 1 1223 . 1 1 92 92 GLN HE21 H 1 7.643 0.020 . 2 . . . . 92 GLN HE21 . 18465 1 1224 . 1 1 92 92 GLN HE22 H 1 6.862 0.020 . 2 . . . . 92 GLN HE22 . 18465 1 1225 . 1 1 92 92 GLN C C 13 178.005 0.400 . 1 . . . . 92 GLN C . 18465 1 1226 . 1 1 92 92 GLN CA C 13 58.521 0.400 . 1 . . . . 92 GLN CA . 18465 1 1227 . 1 1 92 92 GLN CB C 13 27.978 0.400 . 1 . . . . 92 GLN CB . 18465 1 1228 . 1 1 92 92 GLN CG C 13 33.572 0.400 . 1 . . . . 92 GLN CG . 18465 1 1229 . 1 1 92 92 GLN N N 15 119.384 0.400 . 1 . . . . 92 GLN N . 18465 1 1230 . 1 1 92 92 GLN NE2 N 15 114.163 0.400 . 1 . . . . 92 GLN NE2 . 18465 1 1231 . 1 1 93 93 ILE H H 1 7.503 0.020 . 1 . . . . 93 ILE H . 18465 1 1232 . 1 1 93 93 ILE HA H 1 3.783 0.020 . 1 . . . . 93 ILE HA . 18465 1 1233 . 1 1 93 93 ILE HB H 1 2.087 0.020 . 1 . . . . 93 ILE HB . 18465 1 1234 . 1 1 93 93 ILE HG12 H 1 1.705 0.020 . 2 . . . . 93 ILE HG12 . 18465 1 1235 . 1 1 93 93 ILE HG13 H 1 1.261 0.020 . 2 . . . . 93 ILE HG13 . 18465 1 1236 . 1 1 93 93 ILE HG21 H 1 0.830 0.020 . 1 . . . . 93 ILE HG21 . 18465 1 1237 . 1 1 93 93 ILE HG22 H 1 0.830 0.020 . 1 . . . . 93 ILE HG22 . 18465 1 1238 . 1 1 93 93 ILE HG23 H 1 0.830 0.020 . 1 . . . . 93 ILE HG23 . 18465 1 1239 . 1 1 93 93 ILE HD11 H 1 0.774 0.020 . 1 . . . . 93 ILE HD11 . 18465 1 1240 . 1 1 93 93 ILE HD12 H 1 0.774 0.020 . 1 . . . . 93 ILE HD12 . 18465 1 1241 . 1 1 93 93 ILE HD13 H 1 0.774 0.020 . 1 . . . . 93 ILE HD13 . 18465 1 1242 . 1 1 93 93 ILE C C 13 178.025 0.400 . 1 . . . . 93 ILE C . 18465 1 1243 . 1 1 93 93 ILE CA C 13 63.981 0.400 . 1 . . . . 93 ILE CA . 18465 1 1244 . 1 1 93 93 ILE CB C 13 37.224 0.400 . 1 . . . . 93 ILE CB . 18465 1 1245 . 1 1 93 93 ILE CG1 C 13 28.655 0.400 . 1 . . . . 93 ILE CG1 . 18465 1 1246 . 1 1 93 93 ILE CG2 C 13 16.469 0.400 . 1 . . . . 93 ILE CG2 . 18465 1 1247 . 1 1 93 93 ILE CD1 C 13 13.474 0.400 . 1 . . . . 93 ILE CD1 . 18465 1 1248 . 1 1 93 93 ILE N N 15 119.442 0.400 . 1 . . . . 93 ILE N . 18465 1 1249 . 1 1 94 94 LEU H H 1 7.620 0.020 . 1 . . . . 94 LEU H . 18465 1 1250 . 1 1 94 94 LEU HA H 1 4.006 0.020 . 1 . . . . 94 LEU HA . 18465 1 1251 . 1 1 94 94 LEU HB2 H 1 1.787 0.020 . 2 . . . . 94 LEU HB2 . 18465 1 1252 . 1 1 94 94 LEU HB3 H 1 1.672 0.020 . 2 . . . . 94 LEU HB3 . 18465 1 1253 . 1 1 94 94 LEU HG H 1 1.625 0.020 . 1 . . . . 94 LEU HG . 18465 1 1254 . 1 1 94 94 LEU HD11 H 1 0.916 0.020 . 2 . . . . 94 LEU HD11 . 18465 1 1255 . 1 1 94 94 LEU HD12 H 1 0.916 0.020 . 2 . . . . 94 LEU HD12 . 18465 1 1256 . 1 1 94 94 LEU HD13 H 1 0.916 0.020 . 2 . . . . 94 LEU HD13 . 18465 1 1257 . 1 1 94 94 LEU HD21 H 1 0.850 0.020 . 2 . . . . 94 LEU HD21 . 18465 1 1258 . 1 1 94 94 LEU HD22 H 1 0.850 0.020 . 2 . . . . 94 LEU HD22 . 18465 1 1259 . 1 1 94 94 LEU HD23 H 1 0.850 0.020 . 2 . . . . 94 LEU HD23 . 18465 1 1260 . 1 1 94 94 LEU C C 13 178.926 0.400 . 1 . . . . 94 LEU C . 18465 1 1261 . 1 1 94 94 LEU CA C 13 57.784 0.400 . 1 . . . . 94 LEU CA . 18465 1 1262 . 1 1 94 94 LEU CB C 13 41.299 0.400 . 1 . . . . 94 LEU CB . 18465 1 1263 . 1 1 94 94 LEU CG C 13 26.861 0.400 . 1 . . . . 94 LEU CG . 18465 1 1264 . 1 1 94 94 LEU CD1 C 13 24.828 0.400 . 1 . . . . 94 LEU CD1 . 18465 1 1265 . 1 1 94 94 LEU CD2 C 13 24.160 0.400 . 1 . . . . 94 LEU CD2 . 18465 1 1266 . 1 1 94 94 LEU N N 15 118.863 0.400 . 1 . . . . 94 LEU N . 18465 1 1267 . 1 1 95 95 GLU H H 1 8.349 0.020 . 1 . . . . 95 GLU H . 18465 1 1268 . 1 1 95 95 GLU HA H 1 4.003 0.020 . 1 . . . . 95 GLU HA . 18465 1 1269 . 1 1 95 95 GLU HB2 H 1 2.094 0.020 . 2 . . . . 95 GLU HB2 . 18465 1 1270 . 1 1 95 95 GLU HB3 H 1 2.096 0.020 . 2 . . . . 95 GLU HB3 . 18465 1 1271 . 1 1 95 95 GLU HG2 H 1 2.334 0.020 . 2 . . . . 95 GLU HG2 . 18465 1 1272 . 1 1 95 95 GLU HG3 H 1 2.332 0.020 . 2 . . . . 95 GLU HG3 . 18465 1 1273 . 1 1 95 95 GLU C C 13 179.181 0.400 . 1 . . . . 95 GLU C . 18465 1 1274 . 1 1 95 95 GLU CA C 13 58.879 0.400 . 1 . . . . 95 GLU CA . 18465 1 1275 . 1 1 95 95 GLU CB C 13 29.039 0.400 . 1 . . . . 95 GLU CB . 18465 1 1276 . 1 1 95 95 GLU CG C 13 35.932 0.400 . 1 . . . . 95 GLU CG . 18465 1 1277 . 1 1 95 95 GLU N N 15 119.616 0.400 . 1 . . . . 95 GLU N . 18465 1 1278 . 1 1 96 96 ASP H H 1 8.189 0.020 . 1 . . . . 96 ASP H . 18465 1 1279 . 1 1 96 96 ASP HA H 1 4.429 0.020 . 1 . . . . 96 ASP HA . 18465 1 1280 . 1 1 96 96 ASP HB2 H 1 2.894 0.020 . 2 . . . . 96 ASP HB2 . 18465 1 1281 . 1 1 96 96 ASP HB3 H 1 2.696 0.020 . 2 . . . . 96 ASP HB3 . 18465 1 1282 . 1 1 96 96 ASP C C 13 177.868 0.400 . 1 . . . . 96 ASP C . 18465 1 1283 . 1 1 96 96 ASP CA C 13 56.788 0.400 . 1 . . . . 96 ASP CA . 18465 1 1284 . 1 1 96 96 ASP CB C 13 40.368 0.400 . 1 . . . . 96 ASP CB . 18465 1 1285 . 1 1 96 96 ASP N N 15 120.079 0.400 . 1 . . . . 96 ASP N . 18465 1 1286 . 1 1 97 97 LEU H H 1 7.882 0.020 . 1 . . . . 97 LEU H . 18465 1 1287 . 1 1 97 97 LEU HA H 1 4.130 0.020 . 1 . . . . 97 LEU HA . 18465 1 1288 . 1 1 97 97 LEU HB2 H 1 1.978 0.020 . 2 . . . . 97 LEU HB2 . 18465 1 1289 . 1 1 97 97 LEU HB3 H 1 1.593 0.020 . 2 . . . . 97 LEU HB3 . 18465 1 1290 . 1 1 97 97 LEU HG H 1 1.987 0.020 . 1 . . . . 97 LEU HG . 18465 1 1291 . 1 1 97 97 LEU HD11 H 1 0.899 0.020 . 2 . . . . 97 LEU HD11 . 18465 1 1292 . 1 1 97 97 LEU HD12 H 1 0.899 0.020 . 2 . . . . 97 LEU HD12 . 18465 1 1293 . 1 1 97 97 LEU HD13 H 1 0.899 0.020 . 2 . . . . 97 LEU HD13 . 18465 1 1294 . 1 1 97 97 LEU HD21 H 1 0.913 0.020 . 2 . . . . 97 LEU HD21 . 18465 1 1295 . 1 1 97 97 LEU HD22 H 1 0.913 0.020 . 2 . . . . 97 LEU HD22 . 18465 1 1296 . 1 1 97 97 LEU HD23 H 1 0.913 0.020 . 2 . . . . 97 LEU HD23 . 18465 1 1297 . 1 1 97 97 LEU C C 13 178.946 0.400 . 1 . . . . 97 LEU C . 18465 1 1298 . 1 1 97 97 LEU CA C 13 56.946 0.400 . 1 . . . . 97 LEU CA . 18465 1 1299 . 1 1 97 97 LEU CB C 13 41.743 0.400 . 1 . . . . 97 LEU CB . 18465 1 1300 . 1 1 97 97 LEU CG C 13 26.390 0.400 . 1 . . . . 97 LEU CG . 18465 1 1301 . 1 1 97 97 LEU CD1 C 13 25.772 0.400 . 1 . . . . 97 LEU CD1 . 18465 1 1302 . 1 1 97 97 LEU CD2 C 13 22.549 0.400 . 1 . . . . 97 LEU CD2 . 18465 1 1303 . 1 1 97 97 LEU N N 15 119.356 0.400 . 1 . . . . 97 LEU N . 18465 1 1304 . 1 1 98 98 LYS H H 1 7.754 0.020 . 1 . . . . 98 LYS H . 18465 1 1305 . 1 1 98 98 LYS HA H 1 4.166 0.020 . 1 . . . . 98 LYS HA . 18465 1 1306 . 1 1 98 98 LYS HB2 H 1 1.932 0.020 . 2 . . . . 98 LYS HB2 . 18465 1 1307 . 1 1 98 98 LYS HB3 H 1 1.924 0.020 . 2 . . . . 98 LYS HB3 . 18465 1 1308 . 1 1 98 98 LYS HG2 H 1 1.461 0.020 . 2 . . . . 98 LYS HG2 . 18465 1 1309 . 1 1 98 98 LYS HG3 H 1 1.589 0.020 . 2 . . . . 98 LYS HG3 . 18465 1 1310 . 1 1 98 98 LYS HD2 H 1 1.671 0.020 . 2 . . . . 98 LYS HD2 . 18465 1 1311 . 1 1 98 98 LYS HD3 H 1 1.669 0.020 . 2 . . . . 98 LYS HD3 . 18465 1 1312 . 1 1 98 98 LYS HE2 H 1 2.914 0.020 . 1 . . . . 98 LYS HE2 . 18465 1 1313 . 1 1 98 98 LYS HE3 H 1 2.914 0.020 . 1 . . . . 98 LYS HE3 . 18465 1 1314 . 1 1 98 98 LYS C C 13 177.790 0.400 . 1 . . . . 98 LYS C . 18465 1 1315 . 1 1 98 98 LYS CA C 13 57.444 0.400 . 1 . . . . 98 LYS CA . 18465 1 1316 . 1 1 98 98 LYS CB C 13 32.061 0.400 . 1 . . . . 98 LYS CB . 18465 1 1317 . 1 1 98 98 LYS CG C 13 24.597 0.400 . 1 . . . . 98 LYS CG . 18465 1 1318 . 1 1 98 98 LYS CD C 13 28.776 0.400 . 1 . . . . 98 LYS CD . 18465 1 1319 . 1 1 98 98 LYS CE C 13 41.780 0.400 . 1 . . . . 98 LYS CE . 18465 1 1320 . 1 1 98 98 LYS N N 15 118.540 0.400 . 1 . . . . 98 LYS N . 18465 1 1321 . 1 1 99 99 LYS H H 1 7.856 0.020 . 1 . . . . 99 LYS H . 18465 1 1322 . 1 1 99 99 LYS HA H 1 4.227 0.020 . 1 . . . . 99 LYS HA . 18465 1 1323 . 1 1 99 99 LYS HB2 H 1 1.909 0.020 . 1 . . . . 99 LYS HB2 . 18465 1 1324 . 1 1 99 99 LYS HB3 H 1 1.910 0.020 . 1 . . . . 99 LYS HB3 . 18465 1 1325 . 1 1 99 99 LYS HG2 H 1 1.454 0.020 . 2 . . . . 99 LYS HG2 . 18465 1 1326 . 1 1 99 99 LYS HG3 H 1 1.566 0.020 . 2 . . . . 99 LYS HG3 . 18465 1 1327 . 1 1 99 99 LYS HD2 H 1 1.695 0.020 . 2 . . . . 99 LYS HD2 . 18465 1 1328 . 1 1 99 99 LYS HD3 H 1 1.693 0.020 . 2 . . . . 99 LYS HD3 . 18465 1 1329 . 1 1 99 99 LYS HE2 H 1 2.969 0.020 . 2 . . . . 99 LYS HE2 . 18465 1 1330 . 1 1 99 99 LYS HE3 H 1 2.977 0.020 . 2 . . . . 99 LYS HE3 . 18465 1 1331 . 1 1 99 99 LYS C C 13 177.163 0.400 . 1 . . . . 99 LYS C . 18465 1 1332 . 1 1 99 99 LYS CA C 13 56.976 0.400 . 1 . . . . 99 LYS CA . 18465 1 1333 . 1 1 99 99 LYS CB C 13 32.331 0.400 . 1 . . . . 99 LYS CB . 18465 1 1334 . 1 1 99 99 LYS CG C 13 24.871 0.400 . 1 . . . . 99 LYS CG . 18465 1 1335 . 1 1 99 99 LYS CD C 13 28.925 0.400 . 1 . . . . 99 LYS CD . 18465 1 1336 . 1 1 99 99 LYS CE C 13 41.780 0.400 . 1 . . . . 99 LYS CE . 18465 1 1337 . 1 1 99 99 LYS N N 15 119.611 0.400 . 1 . . . . 99 LYS N . 18465 1 1338 . 1 1 100 100 LYS H H 1 8.094 0.020 . 1 . . . . 100 LYS H . 18465 1 1339 . 1 1 100 100 LYS HA H 1 4.268 0.020 . 1 . . . . 100 LYS HA . 18465 1 1340 . 1 1 100 100 LYS HB2 H 1 1.883 0.020 . 1 . . . . 100 LYS HB2 . 18465 1 1341 . 1 1 100 100 LYS HB3 H 1 1.884 0.020 . 1 . . . . 100 LYS HB3 . 18465 1 1342 . 1 1 100 100 LYS HG2 H 1 1.489 0.020 . 2 . . . . 100 LYS HG2 . 18465 1 1343 . 1 1 100 100 LYS HG3 H 1 1.495 0.020 . 2 . . . . 100 LYS HG3 . 18465 1 1344 . 1 1 100 100 LYS HD2 H 1 1.691 0.020 . 1 . . . . 100 LYS HD2 . 18465 1 1345 . 1 1 100 100 LYS HD3 H 1 1.692 0.020 . 1 . . . . 100 LYS HD3 . 18465 1 1346 . 1 1 100 100 LYS HE2 H 1 3.014 0.020 . 2 . . . . 100 LYS HE2 . 18465 1 1347 . 1 1 100 100 LYS HE3 H 1 3.006 0.020 . 2 . . . . 100 LYS HE3 . 18465 1 1348 . 1 1 100 100 LYS CA C 13 56.756 0.400 . 1 . . . . 100 LYS CA . 18465 1 1349 . 1 1 100 100 LYS CB C 13 32.416 0.400 . 1 . . . . 100 LYS CB . 18465 1 1350 . 1 1 100 100 LYS CG C 13 24.597 0.400 . 1 . . . . 100 LYS CG . 18465 1 1351 . 1 1 100 100 LYS CD C 13 28.918 0.400 . 1 . . . . 100 LYS CD . 18465 1 1352 . 1 1 100 100 LYS CE C 13 41.780 0.400 . 1 . . . . 100 LYS CE . 18465 1 1353 . 1 1 100 100 LYS N N 15 120.755 0.400 . 1 . . . . 100 LYS N . 18465 1 1354 . 1 1 102 102 SER HA H 1 4.455 0.020 . 1 . . . . 102 SER HA . 18465 1 1355 . 1 1 102 102 SER HB2 H 1 3.894 0.020 . 2 . . . . 102 SER HB2 . 18465 1 1356 . 1 1 102 102 SER HB3 H 1 3.929 0.020 . 2 . . . . 102 SER HB3 . 18465 1 1357 . 1 1 102 102 SER C C 13 174.536 0.400 . 1 . . . . 102 SER C . 18465 1 1358 . 1 1 102 102 SER CA C 13 58.127 0.400 . 1 . . . . 102 SER CA . 18465 1 1359 . 1 1 102 102 SER CB C 13 63.796 0.400 . 1 . . . . 102 SER CB . 18465 1 1360 . 1 1 103 103 LEU H H 1 8.302 0.020 . 1 . . . . 103 LEU H . 18465 1 1361 . 1 1 103 103 LEU HA H 1 4.338 0.020 . 1 . . . . 103 LEU HA . 18465 1 1362 . 1 1 103 103 LEU HB2 H 1 1.643 0.020 . 2 . . . . 103 LEU HB2 . 18465 1 1363 . 1 1 103 103 LEU HB3 H 1 1.570 0.020 . 2 . . . . 103 LEU HB3 . 18465 1 1364 . 1 1 103 103 LEU HG H 1 1.643 0.020 . 1 . . . . 103 LEU HG . 18465 1 1365 . 1 1 103 103 LEU HD11 H 1 0.855 0.020 . 2 . . . . 103 LEU HD11 . 18465 1 1366 . 1 1 103 103 LEU HD12 H 1 0.855 0.020 . 2 . . . . 103 LEU HD12 . 18465 1 1367 . 1 1 103 103 LEU HD13 H 1 0.855 0.020 . 2 . . . . 103 LEU HD13 . 18465 1 1368 . 1 1 103 103 LEU HD21 H 1 0.858 0.020 . 2 . . . . 103 LEU HD21 . 18465 1 1369 . 1 1 103 103 LEU HD22 H 1 0.858 0.020 . 2 . . . . 103 LEU HD22 . 18465 1 1370 . 1 1 103 103 LEU HD23 H 1 0.858 0.020 . 2 . . . . 103 LEU HD23 . 18465 1 1371 . 1 1 103 103 LEU C C 13 177.379 0.400 . 1 . . . . 103 LEU C . 18465 1 1372 . 1 1 103 103 LEU CA C 13 55.057 0.400 . 1 . . . . 103 LEU CA . 18465 1 1373 . 1 1 103 103 LEU CB C 13 41.882 0.400 . 1 . . . . 103 LEU CB . 18465 1 1374 . 1 1 103 103 LEU CG C 13 26.651 0.400 . 1 . . . . 103 LEU CG . 18465 1 1375 . 1 1 103 103 LEU CD1 C 13 23.181 0.400 . 1 . . . . 103 LEU CD1 . 18465 1 1376 . 1 1 103 103 LEU CD2 C 13 23.124 0.400 . 1 . . . . 103 LEU CD2 . 18465 1 1377 . 1 1 103 103 LEU N N 15 123.358 0.400 . 1 . . . . 103 LEU N . 18465 1 1378 . 1 1 104 104 GLU H H 1 8.281 0.020 . 1 . . . . 104 GLU H . 18465 1 1379 . 1 1 104 104 GLU HA H 1 4.168 0.020 . 1 . . . . 104 GLU HA . 18465 1 1380 . 1 1 104 104 GLU HB2 H 1 1.914 0.020 . 2 . . . . 104 GLU HB2 . 18465 1 1381 . 1 1 104 104 GLU HB3 H 1 1.851 0.020 . 2 . . . . 104 GLU HB3 . 18465 1 1382 . 1 1 104 104 GLU HG2 H 1 2.125 0.020 . 2 . . . . 104 GLU HG2 . 18465 1 1383 . 1 1 104 104 GLU HG3 H 1 2.200 0.020 . 2 . . . . 104 GLU HG3 . 18465 1 1384 . 1 1 104 104 GLU CA C 13 56.556 0.400 . 1 . . . . 104 GLU CA . 18465 1 1385 . 1 1 104 104 GLU CB C 13 29.859 0.400 . 1 . . . . 104 GLU CB . 18465 1 1386 . 1 1 104 104 GLU CG C 13 35.846 0.400 . 1 . . . . 104 GLU CG . 18465 1 1387 . 1 1 104 104 GLU N N 15 120.502 0.400 . 1 . . . . 104 GLU N . 18465 1 1388 . 1 1 105 105 HIS H H 1 8.198 0.020 . 1 . . . . 105 HIS H . 18465 1 stop_ save_