data_6894 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6894 _Entry.Title ; New insights into binding of the possible cancer target RalGDS ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-11-10 _Entry.Accession_date 2004-11-29 _Entry.Last_release_date 2005-11-29 _Entry.Original_release_date 2005-11-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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.ORCID _Entry_author.Entry_ID 1 W. Gronwald . . . . 6894 2 T. Maurer . . . . 6894 3 R. Fuechsl . . . . 6894 4 S. Wohlgemuth . . . . 6894 5 C. Herrmann . . . . 6894 6 H. Kalbitzer . R. . . 6894 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6894 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 349 6894 '15N chemical shifts' 93 6894 '1H chemical shifts' 605 6894 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 . . 2017-02-02 2005-11-10 update author 'update ambiguity codes of NH2 of residues ASN and GLN' 6894 1 . . 2009-10-13 2005-11-10 original author 'original release' 6894 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6894 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; New insights into binding of the possible cancer target RalGDS ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 W. Gronwald . . . . 6894 1 2 T. Maurer . . . . 6894 1 3 R. Fuechsl . . . . 6894 1 4 S. Wohlgemuth . . . . 6894 1 5 C. Herrmann . . . . 6894 1 6 H. Kalbitzer . R. . . 6894 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID AUREMOL 6894 1 NMR 6894 1 'Ras binding domain' 6894 1 'automatically solved' 6894 1 'signal transduction' 6894 1 'ubiquitin fold' 6894 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Ral_guanine _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Ral_guanine _Assembly.Entry_ID 6894 _Assembly.ID 1 _Assembly.Name 'Ral guanine nucleotide dissociation stimulator' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6894 1 stop_ 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 'Ral guanine nucleotide dissociation stimulator' 1 $Ral_guanine . . . native . . . . . 6894 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2B3A . . . . . . 6894 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Ral guanine nucleotide dissociation stimulator' abbreviation 6894 1 'Ral guanine nucleotide dissociation stimulator' system 6894 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ral_guanine _Entity.Sf_category entity _Entity.Sf_framecode Ral_guanine _Entity.Entry_ID 6894 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Ral guanine nucleotide dissociation stimulator' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DCCIIRVSLDVDNGNMYKSI LVTSQDKAPAVIRKAMDKHN LEEEEPEDYELLQILSDDRK LKIPENANVFYAMNSTANYD FVLKKRT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Ral guanine nucleotide dissociation stimulator' abbreviation 6894 1 'Ral guanine nucleotide dissociation stimulator' common 6894 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 11 ASP . 6894 1 2 12 CYS . 6894 1 3 13 CYS . 6894 1 4 14 ILE . 6894 1 5 15 ILE . 6894 1 6 16 ARG . 6894 1 7 17 VAL . 6894 1 8 18 SER . 6894 1 9 19 LEU . 6894 1 10 20 ASP . 6894 1 11 21 VAL . 6894 1 12 22 ASP . 6894 1 13 23 ASN . 6894 1 14 24 GLY . 6894 1 15 25 ASN . 6894 1 16 26 MET . 6894 1 17 27 TYR . 6894 1 18 28 LYS . 6894 1 19 29 SER . 6894 1 20 30 ILE . 6894 1 21 31 LEU . 6894 1 22 32 VAL . 6894 1 23 33 THR . 6894 1 24 34 SER . 6894 1 25 35 GLN . 6894 1 26 36 ASP . 6894 1 27 37 LYS . 6894 1 28 38 ALA . 6894 1 29 39 PRO . 6894 1 30 40 ALA . 6894 1 31 41 VAL . 6894 1 32 42 ILE . 6894 1 33 43 ARG . 6894 1 34 44 LYS . 6894 1 35 45 ALA . 6894 1 36 46 MET . 6894 1 37 47 ASP . 6894 1 38 48 LYS . 6894 1 39 49 HIS . 6894 1 40 50 ASN . 6894 1 41 51 LEU . 6894 1 42 52 GLU . 6894 1 43 53 GLU . 6894 1 44 54 GLU . 6894 1 45 55 GLU . 6894 1 46 56 PRO . 6894 1 47 57 GLU . 6894 1 48 58 ASP . 6894 1 49 59 TYR . 6894 1 50 60 GLU . 6894 1 51 61 LEU . 6894 1 52 62 LEU . 6894 1 53 63 GLN . 6894 1 54 64 ILE . 6894 1 55 65 LEU . 6894 1 56 66 SER . 6894 1 57 67 ASP . 6894 1 58 68 ASP . 6894 1 59 69 ARG . 6894 1 60 70 LYS . 6894 1 61 71 LEU . 6894 1 62 72 LYS . 6894 1 63 73 ILE . 6894 1 64 74 PRO . 6894 1 65 75 GLU . 6894 1 66 76 ASN . 6894 1 67 77 ALA . 6894 1 68 78 ASN . 6894 1 69 79 VAL . 6894 1 70 80 PHE . 6894 1 71 81 TYR . 6894 1 72 82 ALA . 6894 1 73 83 MET . 6894 1 74 84 ASN . 6894 1 75 85 SER . 6894 1 76 86 THR . 6894 1 77 87 ALA . 6894 1 78 88 ASN . 6894 1 79 89 TYR . 6894 1 80 90 ASP . 6894 1 81 91 PHE . 6894 1 82 92 VAL . 6894 1 83 93 LEU . 6894 1 84 94 LYS . 6894 1 85 95 LYS . 6894 1 86 96 ARG . 6894 1 87 97 THR . 6894 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 . ASP 1 1 6894 1 . CYS 2 2 6894 1 . CYS 3 3 6894 1 . ILE 4 4 6894 1 . ILE 5 5 6894 1 . ARG 6 6 6894 1 . VAL 7 7 6894 1 . SER 8 8 6894 1 . LEU 9 9 6894 1 . ASP 10 10 6894 1 . VAL 11 11 6894 1 . ASP 12 12 6894 1 . ASN 13 13 6894 1 . GLY 14 14 6894 1 . ASN 15 15 6894 1 . MET 16 16 6894 1 . TYR 17 17 6894 1 . LYS 18 18 6894 1 . SER 19 19 6894 1 . ILE 20 20 6894 1 . LEU 21 21 6894 1 . VAL 22 22 6894 1 . THR 23 23 6894 1 . SER 24 24 6894 1 . GLN 25 25 6894 1 . ASP 26 26 6894 1 . LYS 27 27 6894 1 . ALA 28 28 6894 1 . PRO 29 29 6894 1 . ALA 30 30 6894 1 . VAL 31 31 6894 1 . ILE 32 32 6894 1 . ARG 33 33 6894 1 . LYS 34 34 6894 1 . ALA 35 35 6894 1 . MET 36 36 6894 1 . ASP 37 37 6894 1 . LYS 38 38 6894 1 . HIS 39 39 6894 1 . ASN 40 40 6894 1 . LEU 41 41 6894 1 . GLU 42 42 6894 1 . GLU 43 43 6894 1 . GLU 44 44 6894 1 . GLU 45 45 6894 1 . PRO 46 46 6894 1 . GLU 47 47 6894 1 . ASP 48 48 6894 1 . TYR 49 49 6894 1 . GLU 50 50 6894 1 . LEU 51 51 6894 1 . LEU 52 52 6894 1 . GLN 53 53 6894 1 . ILE 54 54 6894 1 . LEU 55 55 6894 1 . SER 56 56 6894 1 . ASP 57 57 6894 1 . ASP 58 58 6894 1 . ARG 59 59 6894 1 . LYS 60 60 6894 1 . LEU 61 61 6894 1 . LYS 62 62 6894 1 . ILE 63 63 6894 1 . PRO 64 64 6894 1 . GLU 65 65 6894 1 . ASN 66 66 6894 1 . ALA 67 67 6894 1 . ASN 68 68 6894 1 . VAL 69 69 6894 1 . PHE 70 70 6894 1 . TYR 71 71 6894 1 . ALA 72 72 6894 1 . MET 73 73 6894 1 . ASN 74 74 6894 1 . SER 75 75 6894 1 . THR 76 76 6894 1 . ALA 77 77 6894 1 . ASN 78 78 6894 1 . TYR 79 79 6894 1 . ASP 80 80 6894 1 . PHE 81 81 6894 1 . VAL 82 82 6894 1 . LEU 83 83 6894 1 . LYS 84 84 6894 1 . LYS 85 85 6894 1 . ARG 86 86 6894 1 . THR 87 87 6894 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 6894 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Ral_guanine . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 6894 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 6894 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Ral_guanine . 'recombinant technology' . . . . . . . . . . . . . . . . 6894 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6894 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Ral guanine nucleotide dissociation stimulator' . . . 1 $Ral_guanine . . 1.0 . . mM . . . . 6894 1 2 'potassium buffer' . . . . . . . 20 . . mM . . . . 6894 1 3 'dithioerythritol (DTE)' . . . . . . . 2 . . mM . . . . 6894 1 4 EDTA . . . . . . . 0.5 . . mM . . . . 6894 1 5 NaN3 . . . . . . . 0.5 . . mM . . . . 6894 1 6 '2,2-dimethyl-2-silapentane sulfonic acid(DSS)' . . . . . . . 0.1 . . mM . . . . 6894 1 7 H2O . . . . . . . 95 . . % . . . . 6894 1 8 D2O . . . . . . . 5 . . % . . . . 6894 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6894 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Ral guanine nucleotide dissociation stimulator' '[U-13C; U-15N]' . . 1 $Ral_guanine . . 2.9 . . mM . . . . 6894 2 2 'potassium buffer' . . . . . . . 20 . . mM . . . . 6894 2 3 'dithioerythritol (DTE)' . . . . . . . 2 . . mM . . . . 6894 2 4 EDTA . . . . . . . 0.5 . . mM . . . . 6894 2 5 NaN3 . . . . . . . 0.5 . . mM . . . . 6894 2 6 '2,2-dimethyl-2-silapentane sulfonic acid(DSS)' . . . . . . . 0.1 . . mM . . . . 6894 2 7 H2O . . . . . . . 95 . . % . . . . 6894 2 8 D2O . . . . . . . 5 . . % . . . . 6894 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6894 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Ral guanine nucleotide dissociation stimulator' . . . 1 $Ral_guanine . . 1.0 . . mM . . . . 6894 3 2 'potassium buffer' . . . . . . . 20 . . mM . . . . 6894 3 3 'dithioerythritol (DTE)' . . . . . . . 2 . . mM . . . . 6894 3 4 EDTA . . . . . . . 0.5 . . mM . . . . 6894 3 5 NaN3 . . . . . . . 0.5 . . mM . . . . 6894 3 6 '2,2-dimethyl-2-silapentane sulfonic acid(DSS)' . . . . . . . 0.1 . . mM . . . . 6894 3 7 H2O . . . . . . . 95 . . % . . . . 6894 3 8 D2O . . . . . . . 100 . . % . . . . 6894 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6894 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 6894 1 pH 7.0 . pH 6894 1 pressure 1 . atm 6894 1 temperature 298 . K 6894 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6894 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6894 1 processing 6894 1 stop_ save_ save_AUREMOL _Software.Sf_category software _Software.Sf_framecode AUREMOL _Software.Entry_ID 6894 _Software.ID 2 _Software.Name AUREMOL _Software.Version 2.2 _Software.Details 'Gronwald, Trenner, Brunner, Ganslmeier, Neidig & Kalbitzer' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6894 2 'iterative matrix relaxation' 6894 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 6894 _Software.ID 3 _Software.Name CNS _Software.Version 1.1 _Software.Details Brnger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6894 3 stop_ save_ save_XPLOR-NIH _Software.Sf_category software _Software.Sf_framecode XPLOR-NIH _Software.Entry_ID 6894 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version 2.9.6 _Software.Details Schwieters loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6894 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6894 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6894 _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 NMR_spectrometer Bruker DMX . 600 . . . 6894 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 6894 _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 NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6894 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6894 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6894 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . 6894 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 6894 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 6894 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6894 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D NOESY' 1 $sample_1 . 6894 1 2 '3D 15N-separated NOESY' 1 $sample_1 . 6894 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 ASP H H 1 8.58200 0.20000 . 1 . . . . . . . . 6894 1 2 . 1 1 1 1 ASP N N 15 121.50000 0.50000 . 1 . . . . . . . . 6894 1 3 . 1 1 1 1 ASP CA C 13 53.40000 0.50000 . 1 . . . . . . . . 6894 1 4 . 1 1 1 1 ASP HA H 1 4.56600 0.20000 . 1 . . . . . . . . 6894 1 5 . 1 1 1 1 ASP C C 13 173.94000 0.50000 . 1 . . . . . . . . 6894 1 6 . 1 1 1 1 ASP CB C 13 40.50000 0.50000 . 1 . . . . . . . . 6894 1 7 . 1 1 1 1 ASP HB2 H 1 2.57500 0.20000 . 2 . . . . . . . . 6894 1 8 . 1 1 2 2 CYS H H 1 7.91800 0.20000 . 1 . . . . . . . . 6894 1 9 . 1 1 2 2 CYS N N 15 113.00000 0.50000 . 1 . . . . . . . . 6894 1 10 . 1 1 2 2 CYS CA C 13 56.00000 0.50000 . 1 . . . . . . . . 6894 1 11 . 1 1 2 2 CYS HA H 1 5.23300 0.20000 . 1 . . . . . . . . 6894 1 12 . 1 1 2 2 CYS C C 13 172.64999 0.50000 . 1 . . . . . . . . 6894 1 13 . 1 1 2 2 CYS CB C 13 30.60000 0.50000 . 1 . . . . . . . . 6894 1 14 . 1 1 2 2 CYS HB2 H 1 2.95900 0.20000 . 1 . . . . . . . . 6894 1 15 . 1 1 2 2 CYS HB3 H 1 2.74700 0.20000 . 1 . . . . . . . . 6894 1 16 . 1 1 3 3 CYS H H 1 9.35400 0.20000 . 1 . . . . . . . . 6894 1 17 . 1 1 3 3 CYS N N 15 116.88000 0.50000 . 1 . . . . . . . . 6894 1 18 . 1 1 3 3 CYS CA C 13 55.90000 0.50000 . 1 . . . . . . . . 6894 1 19 . 1 1 3 3 CYS HA H 1 4.93000 0.20000 . 1 . . . . . . . . 6894 1 20 . 1 1 3 3 CYS C C 13 170.83000 0.50000 . 1 . . . . . . . . 6894 1 21 . 1 1 3 3 CYS CB C 13 30.60000 0.50000 . 1 . . . . . . . . 6894 1 22 . 1 1 3 3 CYS HB2 H 1 3.00800 0.20000 . 2 . . . . . . . . 6894 1 23 . 1 1 3 3 CYS HB3 H 1 2.96200 0.20000 . 2 . . . . . . . . 6894 1 24 . 1 1 4 4 ILE H H 1 8.43800 0.20000 . 1 . . . . . . . . 6894 1 25 . 1 1 4 4 ILE N N 15 122.00000 0.50000 . 1 . . . . . . . . 6894 1 26 . 1 1 4 4 ILE CA C 13 59.60000 0.50000 . 1 . . . . . . . . 6894 1 27 . 1 1 4 4 ILE HA H 1 4.88700 0.20000 . 1 . . . . . . . . 6894 1 28 . 1 1 4 4 ILE C C 13 176.53000 0.50000 . 1 . . . . . . . . 6894 1 29 . 1 1 4 4 ILE HB H 1 1.78600 0.20000 . 1 . . . . . . . . 6894 1 30 . 1 1 4 4 ILE HG12 H 1 1.54900 0.20000 . 2 . . . . . . . . 6894 1 31 . 1 1 4 4 ILE HG13 H 1 1.14900 0.20000 . 2 . . . . . . . . 6894 1 32 . 1 1 4 4 ILE CG2 C 13 17.80000 0.50000 . 1 . . . . . . . . 6894 1 33 . 1 1 4 4 ILE HG21 H 1 0.83400 0.20000 . 1 . . . . . . . . 6894 1 34 . 1 1 4 4 ILE HG22 H 1 0.83400 0.20000 . 1 . . . . . . . . 6894 1 35 . 1 1 4 4 ILE HG23 H 1 0.83400 0.20000 . 1 . . . . . . . . 6894 1 36 . 1 1 4 4 ILE CD1 C 13 11.90000 0.50000 . 1 . . . . . . . . 6894 1 37 . 1 1 4 4 ILE HD11 H 1 0.80600 0.20000 . 1 . . . . . . . . 6894 1 38 . 1 1 4 4 ILE HD12 H 1 0.80600 0.20000 . 1 . . . . . . . . 6894 1 39 . 1 1 4 4 ILE HD13 H 1 0.80600 0.20000 . 1 . . . . . . . . 6894 1 40 . 1 1 5 5 ILE H H 1 8.96300 0.20000 . 1 . . . . . . . . 6894 1 41 . 1 1 5 5 ILE N N 15 120.29000 0.50000 . 1 . . . . . . . . 6894 1 42 . 1 1 5 5 ILE CA C 13 58.60000 0.50000 . 1 . . . . . . . . 6894 1 43 . 1 1 5 5 ILE HA H 1 5.29300 0.20000 . 1 . . . . . . . . 6894 1 44 . 1 1 5 5 ILE C C 13 173.67999 0.50000 . 1 . . . . . . . . 6894 1 45 . 1 1 5 5 ILE HB H 1 2.09000 0.20000 . 1 . . . . . . . . 6894 1 46 . 1 1 5 5 ILE HG12 H 1 1.10100 0.20000 . 2 . . . . . . . . 6894 1 47 . 1 1 5 5 ILE HG13 H 1 0.98700 0.20000 . 2 . . . . . . . . 6894 1 48 . 1 1 5 5 ILE CG2 C 13 17.60000 0.50000 . 1 . . . . . . . . 6894 1 49 . 1 1 5 5 ILE HG21 H 1 0.71500 0.20000 . 1 . . . . . . . . 6894 1 50 . 1 1 5 5 ILE HG22 H 1 0.71500 0.20000 . 1 . . . . . . . . 6894 1 51 . 1 1 5 5 ILE HG23 H 1 0.71500 0.20000 . 1 . . . . . . . . 6894 1 52 . 1 1 5 5 ILE CD1 C 13 12.50000 0.50000 . 1 . . . . . . . . 6894 1 53 . 1 1 5 5 ILE HD11 H 1 -0.16600 0.20000 . 1 . . . . . . . . 6894 1 54 . 1 1 5 5 ILE HD12 H 1 -0.16600 0.20000 . 1 . . . . . . . . 6894 1 55 . 1 1 5 5 ILE HD13 H 1 -0.16600 0.20000 . 1 . . . . . . . . 6894 1 56 . 1 1 6 6 ARG H H 1 8.99100 0.20000 . 1 . . . . . . . . 6894 1 57 . 1 1 6 6 ARG N N 15 120.07000 0.50000 . 1 . . . . . . . . 6894 1 58 . 1 1 6 6 ARG CA C 13 55.00000 0.50000 . 1 . . . . . . . . 6894 1 59 . 1 1 6 6 ARG HA H 1 5.27000 0.20000 . 1 . . . . . . . . 6894 1 60 . 1 1 6 6 ARG C C 13 176.00999 0.50000 . 1 . . . . . . . . 6894 1 61 . 1 1 6 6 ARG CB C 13 32.20000 0.50000 . 1 . . . . . . . . 6894 1 62 . 1 1 6 6 ARG HB2 H 1 2.14800 0.20000 . 2 . . . . . . . . 6894 1 63 . 1 1 6 6 ARG HB3 H 1 1.67500 0.20000 . 2 . . . . . . . . 6894 1 64 . 1 1 6 6 ARG CG C 13 27.50000 0.50000 . 1 . . . . . . . . 6894 1 65 . 1 1 6 6 ARG HG2 H 1 1.57900 0.20000 . 2 . . . . . . . . 6894 1 66 . 1 1 6 6 ARG HG3 H 1 1.40600 0.20000 . 2 . . . . . . . . 6894 1 67 . 1 1 6 6 ARG CD C 13 43.50000 0.50000 . 1 . . . . . . . . 6894 1 68 . 1 1 6 6 ARG HD2 H 1 2.91400 0.20000 . 2 . . . . . . . . 6894 1 69 . 1 1 6 6 ARG HD3 H 1 2.61900 0.20000 . 2 . . . . . . . . 6894 1 70 . 1 1 6 6 ARG HE H 1 7.29500 0.20000 . 1 . . . . . . . . 6894 1 71 . 1 1 7 7 VAL H H 1 9.45400 0.20000 . 1 . . . . . . . . 6894 1 72 . 1 1 7 7 VAL N N 15 120.11000 0.50000 . 1 . . . . . . . . 6894 1 73 . 1 1 7 7 VAL CA C 13 60.20000 0.50000 . 1 . . . . . . . . 6894 1 74 . 1 1 7 7 VAL HA H 1 5.33500 0.20000 . 1 . . . . . . . . 6894 1 75 . 1 1 7 7 VAL CB C 13 34.90000 0.50000 . 1 . . . . . . . . 6894 1 76 . 1 1 7 7 VAL HB H 1 1.90600 0.20000 . 1 . . . . . . . . 6894 1 77 . 1 1 7 7 VAL HG11 H 1 0.79300 0.20000 . 1 . . . . . . . . 6894 1 78 . 1 1 7 7 VAL HG12 H 1 0.79300 0.20000 . 1 . . . . . . . . 6894 1 79 . 1 1 7 7 VAL HG13 H 1 0.79300 0.20000 . 1 . . . . . . . . 6894 1 80 . 1 1 7 7 VAL HG21 H 1 0.86100 0.20000 . 1 . . . . . . . . 6894 1 81 . 1 1 7 7 VAL HG22 H 1 0.86100 0.20000 . 1 . . . . . . . . 6894 1 82 . 1 1 7 7 VAL HG23 H 1 0.86100 0.20000 . 1 . . . . . . . . 6894 1 83 . 1 1 8 8 SER H H 1 9.38000 0.20000 . 1 . . . . . . . . 6894 1 84 . 1 1 8 8 SER N N 15 128.07001 0.50000 . 1 . . . . . . . . 6894 1 85 . 1 1 8 8 SER HA H 1 5.11300 0.20000 . 1 . . . . . . . . 6894 1 86 . 1 1 8 8 SER C C 13 172.13000 0.50000 . 1 . . . . . . . . 6894 1 87 . 1 1 8 8 SER CB C 13 64.80000 0.50000 . 1 . . . . . . . . 6894 1 88 . 1 1 8 8 SER HB2 H 1 3.42100 0.20000 . 1 . . . . . . . . 6894 1 89 . 1 1 8 8 SER HB3 H 1 3.16800 0.20000 . 1 . . . . . . . . 6894 1 90 . 1 1 9 9 LEU H H 1 8.76900 0.20000 . 1 . . . . . . . . 6894 1 91 . 1 1 9 9 LEU N N 15 120.79000 0.50000 . 1 . . . . . . . . 6894 1 92 . 1 1 9 9 LEU CA C 13 53.90000 0.50000 . 1 . . . . . . . . 6894 1 93 . 1 1 9 9 LEU HA H 1 4.70600 0.20000 . 1 . . . . . . . . 6894 1 94 . 1 1 9 9 LEU C C 13 177.56000 0.50000 . 1 . . . . . . . . 6894 1 95 . 1 1 9 9 LEU CB C 13 42.00000 0.50000 . 1 . . . . . . . . 6894 1 96 . 1 1 9 9 LEU HB2 H 1 1.56900 0.20000 . 2 . . . . . . . . 6894 1 97 . 1 1 9 9 LEU HB3 H 1 1.35900 0.20000 . 2 . . . . . . . . 6894 1 98 . 1 1 9 9 LEU CG C 13 26.90000 0.50000 . 1 . . . . . . . . 6894 1 99 . 1 1 9 9 LEU HG H 1 1.06300 0.20000 . 1 . . . . . . . . 6894 1 100 . 1 1 9 9 LEU CD1 C 13 23.50000 0.50000 . 2 . . . . . . . . 6894 1 101 . 1 1 9 9 LEU HD11 H 1 0.53900 0.20000 . 2 . . . . . . . . 6894 1 102 . 1 1 9 9 LEU HD12 H 1 0.53900 0.20000 . 2 . . . . . . . . 6894 1 103 . 1 1 9 9 LEU HD13 H 1 0.53900 0.20000 . 2 . . . . . . . . 6894 1 104 . 1 1 9 9 LEU CD2 C 13 24.90000 0.50000 . 2 . . . . . . . . 6894 1 105 . 1 1 9 9 LEU HD21 H 1 0.85700 0.20000 . 2 . . . . . . . . 6894 1 106 . 1 1 9 9 LEU HD22 H 1 0.85700 0.20000 . 2 . . . . . . . . 6894 1 107 . 1 1 9 9 LEU HD23 H 1 0.85700 0.20000 . 2 . . . . . . . . 6894 1 108 . 1 1 10 10 ASP H H 1 8.50600 0.20000 . 1 . . . . . . . . 6894 1 109 . 1 1 10 10 ASP N N 15 122.61000 0.50000 . 1 . . . . . . . . 6894 1 110 . 1 1 10 10 ASP CA C 13 55.50000 0.50000 . 1 . . . . . . . . 6894 1 111 . 1 1 10 10 ASP HA H 1 4.47300 0.20000 . 1 . . . . . . . . 6894 1 112 . 1 1 10 10 ASP C C 13 176.00999 0.50000 . 1 . . . . . . . . 6894 1 113 . 1 1 10 10 ASP CB C 13 41.00000 0.50000 . 1 . . . . . . . . 6894 1 114 . 1 1 10 10 ASP HB2 H 1 2.78300 0.20000 . 2 . . . . . . . . 6894 1 115 . 1 1 10 10 ASP HB3 H 1 2.54200 0.20000 . 2 . . . . . . . . 6894 1 116 . 1 1 11 11 VAL H H 1 7.82800 0.20000 . 1 . . . . . . . . 6894 1 117 . 1 1 11 11 VAL N N 15 115.40000 0.50000 . 1 . . . . . . . . 6894 1 118 . 1 1 11 11 VAL CA C 13 61.70000 0.50000 . 1 . . . . . . . . 6894 1 119 . 1 1 11 11 VAL HA H 1 4.23100 0.20000 . 1 . . . . . . . . 6894 1 120 . 1 1 11 11 VAL C C 13 175.49001 0.50000 . 1 . . . . . . . . 6894 1 121 . 1 1 11 11 VAL CB C 13 32.70000 0.50000 . 1 . . . . . . . . 6894 1 122 . 1 1 11 11 VAL HB H 1 2.20400 0.20000 . 1 . . . . . . . . 6894 1 123 . 1 1 11 11 VAL CG1 C 13 19.50000 0.50000 . 1 . . . . . . . . 6894 1 124 . 1 1 11 11 VAL HG11 H 1 0.89700 0.20000 . 1 . . . . . . . . 6894 1 125 . 1 1 11 11 VAL HG12 H 1 0.89700 0.20000 . 1 . . . . . . . . 6894 1 126 . 1 1 11 11 VAL HG13 H 1 0.89700 0.20000 . 1 . . . . . . . . 6894 1 127 . 1 1 11 11 VAL CG2 C 13 21.20000 0.50000 . 1 . . . . . . . . 6894 1 128 . 1 1 11 11 VAL HG21 H 1 0.96100 0.20000 . 1 . . . . . . . . 6894 1 129 . 1 1 11 11 VAL HG22 H 1 0.96100 0.20000 . 1 . . . . . . . . 6894 1 130 . 1 1 11 11 VAL HG23 H 1 0.96100 0.20000 . 1 . . . . . . . . 6894 1 131 . 1 1 12 12 ASP H H 1 8.19500 0.20000 . 1 . . . . . . . . 6894 1 132 . 1 1 12 12 ASP N N 15 121.43000 0.50000 . 1 . . . . . . . . 6894 1 133 . 1 1 12 12 ASP CA C 13 54.40000 0.50000 . 1 . . . . . . . . 6894 1 134 . 1 1 12 12 ASP HA H 1 4.63100 0.20000 . 1 . . . . . . . . 6894 1 135 . 1 1 12 12 ASP C C 13 176.00999 0.50000 . 1 . . . . . . . . 6894 1 136 . 1 1 12 12 ASP CB C 13 40.50000 0.50000 . 1 . . . . . . . . 6894 1 137 . 1 1 12 12 ASP HB2 H 1 2.79000 0.20000 . 2 . . . . . . . . 6894 1 138 . 1 1 12 12 ASP HB3 H 1 2.68500 0.20000 . 2 . . . . . . . . 6894 1 139 . 1 1 13 13 ASN H H 1 8.28300 0.20000 . 1 . . . . . . . . 6894 1 140 . 1 1 13 13 ASN N N 15 118.15000 0.50000 . 1 . . . . . . . . 6894 1 141 . 1 1 13 13 ASN CA C 13 52.90000 0.50000 . 1 . . . . . . . . 6894 1 142 . 1 1 13 13 ASN HA H 1 4.68200 0.20000 . 1 . . . . . . . . 6894 1 143 . 1 1 13 13 ASN C C 13 174.49001 0.50000 . 1 . . . . . . . . 6894 1 144 . 1 1 13 13 ASN CB C 13 38.40000 0.50000 . 1 . . . . . . . . 6894 1 145 . 1 1 13 13 ASN HB2 H 1 2.88700 0.20000 . 2 . . . . . . . . 6894 1 146 . 1 1 13 13 ASN HB3 H 1 2.82400 0.20000 . 2 . . . . . . . . 6894 1 147 . 1 1 13 13 ASN CG C 13 177.56000 0.50000 . 1 . . . . . . . . 6894 1 148 . 1 1 13 13 ASN ND2 N 15 112.70000 0.50000 . 1 . . . . . . . . 6894 1 149 . 1 1 13 13 ASN HD21 H 1 6.93300 0.20000 . 2 . . . . . . . . 6894 1 150 . 1 1 13 13 ASN HD22 H 1 7.69700 0.20000 . 2 . . . . . . . . 6894 1 151 . 1 1 14 14 GLY H H 1 8.46500 0.20000 . 1 . . . . . . . . 6894 1 152 . 1 1 14 14 GLY N N 15 107.89000 0.50000 . 1 . . . . . . . . 6894 1 153 . 1 1 14 14 GLY CA C 13 45.60000 0.50000 . 1 . . . . . . . . 6894 1 154 . 1 1 14 14 GLY HA2 H 1 3.95800 0.20000 . 2 . . . . . . . . 6894 1 155 . 1 1 14 14 GLY HA3 H 1 3.91300 0.05000 . 2 . . . . . . . . 6894 1 156 . 1 1 14 14 GLY C C 13 173.94000 0.50000 . 1 . . . . . . . . 6894 1 157 . 1 1 15 15 ASN H H 1 8.17700 0.20000 . 1 . . . . . . . . 6894 1 158 . 1 1 15 15 ASN N N 15 117.18000 0.50000 . 1 . . . . . . . . 6894 1 159 . 1 1 15 15 ASN CA C 13 53.40000 0.50000 . 1 . . . . . . . . 6894 1 160 . 1 1 15 15 ASN HA H 1 4.60700 0.20000 . 1 . . . . . . . . 6894 1 161 . 1 1 15 15 ASN C C 13 174.72000 0.50000 . 1 . . . . . . . . 6894 1 162 . 1 1 15 15 ASN CB C 13 38.90000 0.50000 . 1 . . . . . . . . 6894 1 163 . 1 1 15 15 ASN HB2 H 1 2.79900 0.20000 . 1 . . . . . . . . 6894 1 164 . 1 1 15 15 ASN CG C 13 177.05000 0.50000 . 1 . . . . . . . . 6894 1 165 . 1 1 15 15 ASN ND2 N 15 112.10000 0.50000 . 1 . . . . . . . . 6894 1 166 . 1 1 15 15 ASN HD21 H 1 6.91700 0.20000 . 2 . . . . . . . . 6894 1 167 . 1 1 15 15 ASN HD22 H 1 7.59700 0.20000 . 2 . . . . . . . . 6894 1 168 . 1 1 16 16 MET H H 1 8.20200 0.20000 . 1 . . . . . . . . 6894 1 169 . 1 1 16 16 MET N N 15 119.30000 0.50000 . 1 . . . . . . . . 6894 1 170 . 1 1 16 16 MET CA C 13 54.70000 0.50000 . 1 . . . . . . . . 6894 1 171 . 1 1 16 16 MET HA H 1 4.61500 0.20000 . 1 . . . . . . . . 6894 1 172 . 1 1 16 16 MET C C 13 175.24001 0.50000 . 1 . . . . . . . . 6894 1 173 . 1 1 16 16 MET CB C 13 32.20000 0.50000 . 1 . . . . . . . . 6894 1 174 . 1 1 16 16 MET HB2 H 1 2.14600 0.20000 . 2 . . . . . . . . 6894 1 175 . 1 1 16 16 MET HB3 H 1 2.08500 0.20000 . 2 . . . . . . . . 6894 1 176 . 1 1 16 16 MET CG C 13 32.10000 0.50000 . 1 . . . . . . . . 6894 1 177 . 1 1 16 16 MET HG2 H 1 2.59600 0.20000 . 2 . . . . . . . . 6894 1 178 . 1 1 16 16 MET HG3 H 1 2.55300 0.20000 . 2 . . . . . . . . 6894 1 179 . 1 1 16 16 MET CE C 13 17.00000 0.50000 . 1 . . . . . . . . 6894 1 180 . 1 1 16 16 MET HE1 H 1 2.15100 0.20000 . 1 . . . . . . . . 6894 1 181 . 1 1 16 16 MET HE2 H 1 2.15100 0.20000 . 1 . . . . . . . . 6894 1 182 . 1 1 16 16 MET HE3 H 1 2.15100 0.20000 . 1 . . . . . . . . 6894 1 183 . 1 1 17 17 TYR H H 1 8.19700 0.20000 . 1 . . . . . . . . 6894 1 184 . 1 1 17 17 TYR N N 15 120.76000 0.50000 . 1 . . . . . . . . 6894 1 185 . 1 1 17 17 TYR CA C 13 57.90000 0.50000 . 1 . . . . . . . . 6894 1 186 . 1 1 17 17 TYR HA H 1 4.69000 0.20000 . 1 . . . . . . . . 6894 1 187 . 1 1 17 17 TYR C C 13 175.96001 0.50000 . 1 . . . . . . . . 6894 1 188 . 1 1 17 17 TYR CB C 13 38.50000 0.50000 . 1 . . . . . . . . 6894 1 189 . 1 1 17 17 TYR HB2 H 1 2.87000 0.20000 . 2 . . . . . . . . 6894 1 190 . 1 1 17 17 TYR HB3 H 1 2.83500 0.20000 . 2 . . . . . . . . 6894 1 191 . 1 1 17 17 TYR CD1 C 13 132.80000 0.50000 . 1 . . . . . . . . 6894 1 192 . 1 1 17 17 TYR HD1 H 1 6.98100 0.20000 . 3 . . . . . . . . 6894 1 193 . 1 1 17 17 TYR CD2 C 13 132.80000 0.50000 . 1 . . . . . . . . 6894 1 194 . 1 1 17 17 TYR CE1 C 13 118.20000 0.50000 . 1 . . . . . . . . 6894 1 195 . 1 1 17 17 TYR HE1 H 1 6.88000 0.20000 . 3 . . . . . . . . 6894 1 196 . 1 1 17 17 TYR CE2 C 13 118.20000 0.50000 . 1 . . . . . . . . 6894 1 197 . 1 1 18 18 LYS H H 1 8.36800 0.20000 . 1 . . . . . . . . 6894 1 198 . 1 1 18 18 LYS N N 15 118.67000 0.50000 . 1 . . . . . . . . 6894 1 199 . 1 1 18 18 LYS HA H 1 4.75100 0.20000 . 1 . . . . . . . . 6894 1 200 . 1 1 18 18 LYS HB2 H 1 1.52500 0.20000 . 2 . . . . . . . . 6894 1 201 . 1 1 18 18 LYS HB3 H 1 1.29300 0.20000 . 2 . . . . . . . . 6894 1 202 . 1 1 18 18 LYS HG2 H 1 0.94500 0.20000 . 2 . . . . . . . . 6894 1 203 . 1 1 18 18 LYS HG3 H 1 0.57100 0.20000 . 2 . . . . . . . . 6894 1 204 . 1 1 18 18 LYS HD2 H 1 1.58200 0.20000 . 2 . . . . . . . . 6894 1 205 . 1 1 18 18 LYS HD3 H 1 1.06900 0.20000 . 2 . . . . . . . . 6894 1 206 . 1 1 18 18 LYS HE2 H 1 2.82600 0.20000 . 2 . . . . . . . . 6894 1 207 . 1 1 18 18 LYS HE3 H 1 2.70200 0.20000 . 2 . . . . . . . . 6894 1 208 . 1 1 19 19 SER H H 1 8.78500 0.20000 . 1 . . . . . . . . 6894 1 209 . 1 1 19 19 SER N N 15 119.19000 0.50000 . 1 . . . . . . . . 6894 1 210 . 1 1 19 19 SER CA C 13 58.10000 0.50000 . 1 . . . . . . . . 6894 1 211 . 1 1 19 19 SER HA H 1 5.44000 0.20000 . 1 . . . . . . . . 6894 1 212 . 1 1 19 19 SER C C 13 173.67999 0.50000 . 1 . . . . . . . . 6894 1 213 . 1 1 19 19 SER CB C 13 63.80000 0.50000 . 1 . . . . . . . . 6894 1 214 . 1 1 19 19 SER HB2 H 1 3.76400 0.20000 . 1 . . . . . . . . 6894 1 215 . 1 1 19 19 SER HB3 H 1 3.71900 0.20000 . 1 . . . . . . . . 6894 1 216 . 1 1 20 20 ILE H H 1 9.22200 0.20000 . 1 . . . . . . . . 6894 1 217 . 1 1 20 20 ILE N N 15 122.38000 0.50000 . 1 . . . . . . . . 6894 1 218 . 1 1 20 20 ILE CA C 13 58.60000 0.50000 . 1 . . . . . . . . 6894 1 219 . 1 1 20 20 ILE HA H 1 4.45800 0.20000 . 1 . . . . . . . . 6894 1 220 . 1 1 20 20 ILE C C 13 173.16000 0.50000 . 1 . . . . . . . . 6894 1 221 . 1 1 20 20 ILE CB C 13 41.00000 0.50000 . 1 . . . . . . . . 6894 1 222 . 1 1 20 20 ILE HB H 1 1.70000 0.20000 . 1 . . . . . . . . 6894 1 223 . 1 1 20 20 ILE HG12 H 1 1.21000 0.20000 . 2 . . . . . . . . 6894 1 224 . 1 1 20 20 ILE HG13 H 1 1.15200 0.20000 . 2 . . . . . . . . 6894 1 225 . 1 1 20 20 ILE CG2 C 13 18.70000 0.50000 . 1 . . . . . . . . 6894 1 226 . 1 1 20 20 ILE HG21 H 1 0.76400 0.20000 . 1 . . . . . . . . 6894 1 227 . 1 1 20 20 ILE HG22 H 1 0.76400 0.20000 . 1 . . . . . . . . 6894 1 228 . 1 1 20 20 ILE HG23 H 1 0.76400 0.20000 . 1 . . . . . . . . 6894 1 229 . 1 1 20 20 ILE CD1 C 13 13.50000 0.50000 . 1 . . . . . . . . 6894 1 230 . 1 1 20 20 ILE HD11 H 1 0.66300 0.20000 . 1 . . . . . . . . 6894 1 231 . 1 1 20 20 ILE HD12 H 1 0.66300 0.20000 . 1 . . . . . . . . 6894 1 232 . 1 1 20 20 ILE HD13 H 1 0.66300 0.20000 . 1 . . . . . . . . 6894 1 233 . 1 1 21 21 LEU H H 1 8.36700 0.20000 . 1 . . . . . . . . 6894 1 234 . 1 1 21 21 LEU N N 15 126.86000 0.50000 . 1 . . . . . . . . 6894 1 235 . 1 1 21 21 LEU CA C 13 54.40000 0.50000 . 1 . . . . . . . . 6894 1 236 . 1 1 21 21 LEU HA H 1 4.69400 0.20000 . 1 . . . . . . . . 6894 1 237 . 1 1 21 21 LEU C C 13 175.49001 0.50000 . 1 . . . . . . . . 6894 1 238 . 1 1 21 21 LEU CB C 13 42.50000 0.50000 . 1 . . . . . . . . 6894 1 239 . 1 1 21 21 LEU HB2 H 1 1.71500 0.20000 . 2 . . . . . . . . 6894 1 240 . 1 1 21 21 LEU HB3 H 1 1.45000 0.20000 . 2 . . . . . . . . 6894 1 241 . 1 1 21 21 LEU CG C 13 27.50000 0.50000 . 1 . . . . . . . . 6894 1 242 . 1 1 21 21 LEU HG H 1 1.37900 0.20000 . 1 . . . . . . . . 6894 1 243 . 1 1 21 21 LEU CD1 C 13 25.20000 0.50000 . 2 . . . . . . . . 6894 1 244 . 1 1 21 21 LEU HD11 H 1 0.82300 0.20000 . 2 . . . . . . . . 6894 1 245 . 1 1 21 21 LEU HD12 H 1 0.82300 0.20000 . 2 . . . . . . . . 6894 1 246 . 1 1 21 21 LEU HD13 H 1 0.82300 0.20000 . 2 . . . . . . . . 6894 1 247 . 1 1 21 21 LEU HD21 H 1 0.84000 0.20000 . 2 . . . . . . . . 6894 1 248 . 1 1 21 21 LEU HD22 H 1 0.84000 0.20000 . 2 . . . . . . . . 6894 1 249 . 1 1 21 21 LEU HD23 H 1 0.84000 0.20000 . 2 . . . . . . . . 6894 1 250 . 1 1 22 22 VAL H H 1 9.26900 0.20000 . 1 . . . . . . . . 6894 1 251 . 1 1 22 22 VAL N N 15 127.72000 0.50000 . 1 . . . . . . . . 6894 1 252 . 1 1 22 22 VAL CA C 13 60.70000 0.50000 . 1 . . . . . . . . 6894 1 253 . 1 1 22 22 VAL HA H 1 4.36200 0.20000 . 1 . . . . . . . . 6894 1 254 . 1 1 22 22 VAL C C 13 174.72000 0.50000 . 1 . . . . . . . . 6894 1 255 . 1 1 22 22 VAL CB C 13 33.70000 0.50000 . 1 . . . . . . . . 6894 1 256 . 1 1 22 22 VAL HB H 1 2.16100 0.20000 . 1 . . . . . . . . 6894 1 257 . 1 1 22 22 VAL HG11 H 1 0.79500 0.20000 . 1 . . . . . . . . 6894 1 258 . 1 1 22 22 VAL HG12 H 1 0.79500 0.20000 . 1 . . . . . . . . 6894 1 259 . 1 1 22 22 VAL HG13 H 1 0.79500 0.20000 . 1 . . . . . . . . 6894 1 260 . 1 1 22 22 VAL CG2 C 13 21.20000 0.50000 . 1 . . . . . . . . 6894 1 261 . 1 1 22 22 VAL HG21 H 1 0.93000 0.20000 . 1 . . . . . . . . 6894 1 262 . 1 1 22 22 VAL HG22 H 1 0.93000 0.20000 . 1 . . . . . . . . 6894 1 263 . 1 1 22 22 VAL HG23 H 1 0.93000 0.20000 . 1 . . . . . . . . 6894 1 264 . 1 1 23 23 THR H H 1 8.88700 0.20000 . 1 . . . . . . . . 6894 1 265 . 1 1 23 23 THR N N 15 115.89000 0.50000 . 1 . . . . . . . . 6894 1 266 . 1 1 23 23 THR CA C 13 59.60000 0.50000 . 1 . . . . . . . . 6894 1 267 . 1 1 23 23 THR HA H 1 5.02600 0.20000 . 1 . . . . . . . . 6894 1 268 . 1 1 23 23 THR C C 13 176.78999 0.50000 . 1 . . . . . . . . 6894 1 269 . 1 1 23 23 THR CB C 13 71.50000 0.50000 . 1 . . . . . . . . 6894 1 270 . 1 1 23 23 THR HB H 1 4.51100 0.20000 . 1 . . . . . . . . 6894 1 271 . 1 1 23 23 THR CG2 C 13 20.90000 0.50000 . 1 . . . . . . . . 6894 1 272 . 1 1 23 23 THR HG21 H 1 1.17200 0.20000 . 1 . . . . . . . . 6894 1 273 . 1 1 23 23 THR HG22 H 1 1.17200 0.20000 . 1 . . . . . . . . 6894 1 274 . 1 1 23 23 THR HG23 H 1 1.17200 0.20000 . 1 . . . . . . . . 6894 1 275 . 1 1 24 24 SER H H 1 8.12600 0.20000 . 1 . . . . . . . . 6894 1 276 . 1 1 24 24 SER N N 15 114.89000 0.50000 . 1 . . . . . . . . 6894 1 277 . 1 1 24 24 SER CA C 13 59.60000 0.50000 . 1 . . . . . . . . 6894 1 278 . 1 1 24 24 SER HA H 1 3.33900 0.20000 . 1 . . . . . . . . 6894 1 279 . 1 1 24 24 SER C C 13 173.67999 0.50000 . 1 . . . . . . . . 6894 1 280 . 1 1 24 24 SER CB C 13 62.20000 0.50000 . 1 . . . . . . . . 6894 1 281 . 1 1 24 24 SER HB2 H 1 3.89200 0.20000 . 1 . . . . . . . . 6894 1 282 . 1 1 24 24 SER HB3 H 1 3.06000 0.20000 . 1 . . . . . . . . 6894 1 283 . 1 1 25 25 GLN H H 1 7.57400 0.20000 . 1 . . . . . . . . 6894 1 284 . 1 1 25 25 GLN N N 15 117.15000 0.50000 . 1 . . . . . . . . 6894 1 285 . 1 1 25 25 GLN CA C 13 55.00000 0.50000 . 1 . . . . . . . . 6894 1 286 . 1 1 25 25 GLN HA H 1 4.34500 0.20000 . 1 . . . . . . . . 6894 1 287 . 1 1 25 25 GLN C C 13 176.00999 0.50000 . 1 . . . . . . . . 6894 1 288 . 1 1 25 25 GLN CB C 13 29.60000 0.50000 . 1 . . . . . . . . 6894 1 289 . 1 1 25 25 GLN HB2 H 1 2.23100 0.20000 . 2 . . . . . . . . 6894 1 290 . 1 1 25 25 GLN HB3 H 1 1.77400 0.20000 . 2 . . . . . . . . 6894 1 291 . 1 1 25 25 GLN CG C 13 33.80000 0.50000 . 1 . . . . . . . . 6894 1 292 . 1 1 25 25 GLN HG2 H 1 2.30900 0.20000 . 2 . . . . . . . . 6894 1 293 . 1 1 25 25 GLN CD C 13 180.39999 0.50000 . 1 . . . . . . . . 6894 1 294 . 1 1 25 25 GLN NE2 N 15 112.60000 0.50000 . 1 . . . . . . . . 6894 1 295 . 1 1 25 25 GLN HE21 H 1 6.86900 0.20000 . 2 . . . . . . . . 6894 1 296 . 1 1 25 25 GLN HE22 H 1 7.48200 0.20000 . 2 . . . . . . . . 6894 1 297 . 1 1 26 26 ASP H H 1 7.12600 0.20000 . 1 . . . . . . . . 6894 1 298 . 1 1 26 26 ASP N N 15 119.55000 0.50000 . 1 . . . . . . . . 6894 1 299 . 1 1 26 26 ASP CA C 13 55.50000 0.50000 . 1 . . . . . . . . 6894 1 300 . 1 1 26 26 ASP HA H 1 4.52200 0.20000 . 1 . . . . . . . . 6894 1 301 . 1 1 26 26 ASP C C 13 176.53000 0.50000 . 1 . . . . . . . . 6894 1 302 . 1 1 26 26 ASP CB C 13 41.50000 0.50000 . 1 . . . . . . . . 6894 1 303 . 1 1 26 26 ASP HB2 H 1 2.77600 0.20000 . 1 . . . . . . . . 6894 1 304 . 1 1 26 26 ASP HB3 H 1 2.42800 0.20000 . 1 . . . . . . . . 6894 1 305 . 1 1 27 27 LYS H H 1 9.04000 0.20000 . 1 . . . . . . . . 6894 1 306 . 1 1 27 27 LYS N N 15 124.07000 0.50000 . 1 . . . . . . . . 6894 1 307 . 1 1 27 27 LYS CA C 13 54.40000 0.50000 . 1 . . . . . . . . 6894 1 308 . 1 1 27 27 LYS HA H 1 5.13600 0.20000 . 1 . . . . . . . . 6894 1 309 . 1 1 27 27 LYS C C 13 177.56000 0.50000 . 1 . . . . . . . . 6894 1 310 . 1 1 27 27 LYS CB C 13 34.20000 0.50000 . 1 . . . . . . . . 6894 1 311 . 1 1 27 27 LYS HB2 H 1 1.96400 0.20000 . 2 . . . . . . . . 6894 1 312 . 1 1 27 27 LYS HB3 H 1 1.85800 0.20000 . 2 . . . . . . . . 6894 1 313 . 1 1 27 27 LYS CG C 13 25.90000 0.50000 . 1 . . . . . . . . 6894 1 314 . 1 1 27 27 LYS HG2 H 1 1.61300 0.20000 . 2 . . . . . . . . 6894 1 315 . 1 1 27 27 LYS HG3 H 1 1.33000 0.20000 . 2 . . . . . . . . 6894 1 316 . 1 1 27 27 LYS CD C 13 28.90000 0.50000 . 1 . . . . . . . . 6894 1 317 . 1 1 27 27 LYS HD2 H 1 1.67400 0.20000 . 2 . . . . . . . . 6894 1 318 . 1 1 27 27 LYS CE C 13 41.40000 0.50000 . 1 . . . . . . . . 6894 1 319 . 1 1 27 27 LYS HE2 H 1 3.07500 0.20000 . 2 . . . . . . . . 6894 1 320 . 1 1 28 28 ALA H H 1 8.23900 0.20000 . 1 . . . . . . . . 6894 1 321 . 1 1 28 28 ALA N N 15 121.06000 0.50000 . 1 . . . . . . . . 6894 1 322 . 1 1 28 28 ALA CA C 13 57.40000 0.50000 . 1 . . . . . . . . 6894 1 323 . 1 1 28 28 ALA HA H 1 3.85400 0.20000 . 1 . . . . . . . . 6894 1 324 . 1 1 28 28 ALA CB C 13 16.30000 0.50000 . 1 . . . . . . . . 6894 1 325 . 1 1 28 28 ALA HB1 H 1 1.52300 0.20000 . 1 . . . . . . . . 6894 1 326 . 1 1 28 28 ALA HB2 H 1 1.52300 0.20000 . 1 . . . . . . . . 6894 1 327 . 1 1 28 28 ALA HB3 H 1 1.52300 0.20000 . 1 . . . . . . . . 6894 1 328 . 1 1 29 29 PRO CA C 13 66.30000 0.50000 . 1 . . . . . . . . 6894 1 329 . 1 1 29 29 PRO HA H 1 4.29000 0.20000 . 1 . . . . . . . . 6894 1 330 . 1 1 29 29 PRO C C 13 178.60001 0.50000 . 1 . . . . . . . . 6894 1 331 . 1 1 29 29 PRO CB C 13 30.60000 0.50000 . 1 . . . . . . . . 6894 1 332 . 1 1 29 29 PRO HB2 H 1 2.41800 0.20000 . 2 . . . . . . . . 6894 1 333 . 1 1 29 29 PRO HB3 H 1 1.87800 0.20000 . 2 . . . . . . . . 6894 1 334 . 1 1 29 29 PRO HG2 H 1 2.21100 0.20000 . 2 . . . . . . . . 6894 1 335 . 1 1 29 29 PRO HG3 H 1 2.08300 0.20000 . 2 . . . . . . . . 6894 1 336 . 1 1 29 29 PRO CD C 13 50.70000 0.50000 . 1 . . . . . . . . 6894 1 337 . 1 1 29 29 PRO HD2 H 1 3.55200 0.20000 . 2 . . . . . . . . 6894 1 338 . 1 1 30 30 ALA H H 1 7.26200 0.20000 . 1 . . . . . . . . 6894 1 339 . 1 1 30 30 ALA N N 15 118.64000 0.50000 . 1 . . . . . . . . 6894 1 340 . 1 1 30 30 ALA CA C 13 54.40000 0.50000 . 1 . . . . . . . . 6894 1 341 . 1 1 30 30 ALA HA H 1 4.20800 0.20000 . 1 . . . . . . . . 6894 1 342 . 1 1 30 30 ALA C C 13 180.67000 0.50000 . 1 . . . . . . . . 6894 1 343 . 1 1 30 30 ALA CB C 13 18.70000 0.50000 . 1 . . . . . . . . 6894 1 344 . 1 1 30 30 ALA HB1 H 1 1.58000 0.20000 . 1 . . . . . . . . 6894 1 345 . 1 1 30 30 ALA HB2 H 1 1.58000 0.20000 . 1 . . . . . . . . 6894 1 346 . 1 1 30 30 ALA HB3 H 1 1.58000 0.20000 . 1 . . . . . . . . 6894 1 347 . 1 1 31 31 VAL H H 1 7.58000 0.20000 . 1 . . . . . . . . 6894 1 348 . 1 1 31 31 VAL N N 15 119.54000 0.50000 . 1 . . . . . . . . 6894 1 349 . 1 1 31 31 VAL CA C 13 66.30000 0.50000 . 1 . . . . . . . . 6894 1 350 . 1 1 31 31 VAL HA H 1 3.42000 0.20000 . 1 . . . . . . . . 6894 1 351 . 1 1 31 31 VAL C C 13 177.05000 0.50000 . 1 . . . . . . . . 6894 1 352 . 1 1 31 31 VAL CB C 13 31.10000 0.50000 . 1 . . . . . . . . 6894 1 353 . 1 1 31 31 VAL HB H 1 1.99200 0.20000 . 1 . . . . . . . . 6894 1 354 . 1 1 31 31 VAL CG1 C 13 22.10000 0.50000 . 1 . . . . . . . . 6894 1 355 . 1 1 31 31 VAL HG11 H 1 0.64500 0.20000 . 1 . . . . . . . . 6894 1 356 . 1 1 31 31 VAL HG12 H 1 0.64500 0.20000 . 1 . . . . . . . . 6894 1 357 . 1 1 31 31 VAL HG13 H 1 0.64500 0.20000 . 1 . . . . . . . . 6894 1 358 . 1 1 31 31 VAL HG21 H 1 0.95600 0.20000 . 1 . . . . . . . . 6894 1 359 . 1 1 31 31 VAL HG22 H 1 0.95600 0.20000 . 1 . . . . . . . . 6894 1 360 . 1 1 31 31 VAL HG23 H 1 0.95600 0.20000 . 1 . . . . . . . . 6894 1 361 . 1 1 32 32 ILE H H 1 8.89000 0.20000 . 1 . . . . . . . . 6894 1 362 . 1 1 32 32 ILE N N 15 120.53000 0.50000 . 1 . . . . . . . . 6894 1 363 . 1 1 32 32 ILE CA C 13 66.20000 0.50000 . 1 . . . . . . . . 6894 1 364 . 1 1 32 32 ILE HA H 1 3.31000 0.20000 . 1 . . . . . . . . 6894 1 365 . 1 1 32 32 ILE CB C 13 40.50000 0.50000 . 1 . . . . . . . . 6894 1 366 . 1 1 32 32 ILE HB H 1 1.86400 0.20000 . 1 . . . . . . . . 6894 1 367 . 1 1 32 32 ILE HG12 H 1 0.85000 0.20000 . 2 . . . . . . . . 6894 1 368 . 1 1 32 32 ILE HG13 H 1 0.61000 0.20000 . 2 . . . . . . . . 6894 1 369 . 1 1 32 32 ILE CG2 C 13 18.30000 0.50000 . 1 . . . . . . . . 6894 1 370 . 1 1 32 32 ILE HG21 H 1 0.95300 0.20000 . 1 . . . . . . . . 6894 1 371 . 1 1 32 32 ILE HG22 H 1 0.95300 0.20000 . 1 . . . . . . . . 6894 1 372 . 1 1 32 32 ILE HG23 H 1 0.95300 0.20000 . 1 . . . . . . . . 6894 1 373 . 1 1 32 32 ILE HD11 H 1 0.61400 0.20000 . 1 . . . . . . . . 6894 1 374 . 1 1 32 32 ILE HD12 H 1 0.61400 0.20000 . 1 . . . . . . . . 6894 1 375 . 1 1 32 32 ILE HD13 H 1 0.61400 0.20000 . 1 . . . . . . . . 6894 1 376 . 1 1 33 33 ARG H H 1 8.13500 0.20000 . 1 . . . . . . . . 6894 1 377 . 1 1 33 33 ARG N N 15 119.54000 0.50000 . 1 . . . . . . . . 6894 1 378 . 1 1 33 33 ARG CA C 13 59.10000 0.50000 . 1 . . . . . . . . 6894 1 379 . 1 1 33 33 ARG HA H 1 4.04900 0.20000 . 1 . . . . . . . . 6894 1 380 . 1 1 33 33 ARG C C 13 177.82001 0.50000 . 1 . . . . . . . . 6894 1 381 . 1 1 33 33 ARG CB C 13 31.70000 0.50000 . 1 . . . . . . . . 6894 1 382 . 1 1 33 33 ARG HB2 H 1 2.17900 0.20000 . 2 . . . . . . . . 6894 1 383 . 1 1 33 33 ARG HB3 H 1 1.92700 0.20000 . 2 . . . . . . . . 6894 1 384 . 1 1 33 33 ARG CG C 13 27.50000 0.50000 . 1 . . . . . . . . 6894 1 385 . 1 1 33 33 ARG HG2 H 1 1.56500 0.20000 . 2 . . . . . . . . 6894 1 386 . 1 1 33 33 ARG CD C 13 44.50000 0.50000 . 1 . . . . . . . . 6894 1 387 . 1 1 33 33 ARG HD2 H 1 3.47700 0.20000 . 2 . . . . . . . . 6894 1 388 . 1 1 33 33 ARG HD3 H 1 3.13800 0.20000 . 2 . . . . . . . . 6894 1 389 . 1 1 33 33 ARG HE H 1 6.82400 0.20000 . 1 . . . . . . . . 6894 1 390 . 1 1 34 34 LYS H H 1 7.53700 0.20000 . 1 . . . . . . . . 6894 1 391 . 1 1 34 34 LYS N N 15 117.66000 0.50000 . 1 . . . . . . . . 6894 1 392 . 1 1 34 34 LYS CA C 13 59.60000 0.50000 . 1 . . . . . . . . 6894 1 393 . 1 1 34 34 LYS HA H 1 4.17400 0.20000 . 1 . . . . . . . . 6894 1 394 . 1 1 34 34 LYS C C 13 179.38000 0.50000 . 1 . . . . . . . . 6894 1 395 . 1 1 34 34 LYS CB C 13 33.20000 0.50000 . 1 . . . . . . . . 6894 1 396 . 1 1 34 34 LYS HB2 H 1 1.98400 0.20000 . 2 . . . . . . . . 6894 1 397 . 1 1 34 34 LYS HB3 H 1 1.80000 0.20000 . 2 . . . . . . . . 6894 1 398 . 1 1 34 34 LYS CG C 13 26.10000 0.50000 . 1 . . . . . . . . 6894 1 399 . 1 1 34 34 LYS HG2 H 1 1.75900 0.20000 . 2 . . . . . . . . 6894 1 400 . 1 1 34 34 LYS HG3 H 1 1.58200 0.20000 . 2 . . . . . . . . 6894 1 401 . 1 1 34 34 LYS HD2 H 1 1.85600 0.20000 . 2 . . . . . . . . 6894 1 402 . 1 1 34 34 LYS HD3 H 1 1.56500 0.20000 . 2 . . . . . . . . 6894 1 403 . 1 1 34 34 LYS CE C 13 41.40000 0.50000 . 1 . . . . . . . . 6894 1 404 . 1 1 34 34 LYS HE2 H 1 2.93000 0.20000 . 2 . . . . . . . . 6894 1 405 . 1 1 34 34 LYS HE3 H 1 2.88200 0.20000 . 2 . . . . . . . . 6894 1 406 . 1 1 35 35 ALA H H 1 8.53300 0.20000 . 1 . . . . . . . . 6894 1 407 . 1 1 35 35 ALA N N 15 121.13000 0.50000 . 1 . . . . . . . . 6894 1 408 . 1 1 35 35 ALA CA C 13 55.00000 0.50000 . 1 . . . . . . . . 6894 1 409 . 1 1 35 35 ALA HA H 1 3.91300 0.20000 . 1 . . . . . . . . 6894 1 410 . 1 1 35 35 ALA C C 13 178.86000 0.50000 . 1 . . . . . . . . 6894 1 411 . 1 1 35 35 ALA CB C 13 18.70000 0.50000 . 1 . . . . . . . . 6894 1 412 . 1 1 35 35 ALA HB1 H 1 1.39200 0.20000 . 1 . . . . . . . . 6894 1 413 . 1 1 35 35 ALA HB2 H 1 1.39200 0.20000 . 1 . . . . . . . . 6894 1 414 . 1 1 35 35 ALA HB3 H 1 1.39200 0.20000 . 1 . . . . . . . . 6894 1 415 . 1 1 36 36 MET H H 1 9.08800 0.20000 . 1 . . . . . . . . 6894 1 416 . 1 1 36 36 MET N N 15 117.87000 0.50000 . 1 . . . . . . . . 6894 1 417 . 1 1 36 36 MET CA C 13 59.60000 0.50000 . 1 . . . . . . . . 6894 1 418 . 1 1 36 36 MET HA H 1 3.47100 0.20000 . 1 . . . . . . . . 6894 1 419 . 1 1 36 36 MET HB2 H 1 2.04800 0.20000 . 2 . . . . . . . . 6894 1 420 . 1 1 36 36 MET HB3 H 1 1.99700 0.20000 . 2 . . . . . . . . 6894 1 421 . 1 1 36 36 MET HG2 H 1 2.54100 0.20000 . 2 . . . . . . . . 6894 1 422 . 1 1 36 36 MET HG3 H 1 1.51100 0.20000 . 2 . . . . . . . . 6894 1 423 . 1 1 37 37 ASP H H 1 8.15800 0.20000 . 1 . . . . . . . . 6894 1 424 . 1 1 37 37 ASP N N 15 119.63000 0.50000 . 1 . . . . . . . . 6894 1 425 . 1 1 37 37 ASP CA C 13 57.00000 0.50000 . 1 . . . . . . . . 6894 1 426 . 1 1 37 37 ASP HA H 1 4.29000 0.20000 . 1 . . . . . . . . 6894 1 427 . 1 1 37 37 ASP C C 13 179.64000 0.50000 . 1 . . . . . . . . 6894 1 428 . 1 1 37 37 ASP CB C 13 39.40000 0.50000 . 1 . . . . . . . . 6894 1 429 . 1 1 37 37 ASP HB2 H 1 2.80400 0.20000 . 2 . . . . . . . . 6894 1 430 . 1 1 37 37 ASP HB3 H 1 2.73900 0.20000 . 2 . . . . . . . . 6894 1 431 . 1 1 38 38 LYS H H 1 7.57700 0.20000 . 1 . . . . . . . . 6894 1 432 . 1 1 38 38 LYS N N 15 118.65000 0.50000 . 1 . . . . . . . . 6894 1 433 . 1 1 38 38 LYS CA C 13 57.00000 0.50000 . 1 . . . . . . . . 6894 1 434 . 1 1 38 38 LYS HA H 1 4.18000 0.20000 . 1 . . . . . . . . 6894 1 435 . 1 1 38 38 LYS C C 13 176.78999 0.50000 . 1 . . . . . . . . 6894 1 436 . 1 1 38 38 LYS CB C 13 32.20000 0.50000 . 1 . . . . . . . . 6894 1 437 . 1 1 38 38 LYS HB2 H 1 1.73200 0.20000 . 2 . . . . . . . . 6894 1 438 . 1 1 38 38 LYS HB3 H 1 1.54100 0.20000 . 2 . . . . . . . . 6894 1 439 . 1 1 38 38 LYS CG C 13 25.20000 0.50000 . 1 . . . . . . . . 6894 1 440 . 1 1 38 38 LYS HG2 H 1 1.52400 0.20000 . 2 . . . . . . . . 6894 1 441 . 1 1 38 38 LYS HG3 H 1 1.44600 0.20000 . 2 . . . . . . . . 6894 1 442 . 1 1 38 38 LYS CD C 13 28.50000 0.50000 . 1 . . . . . . . . 6894 1 443 . 1 1 38 38 LYS HD2 H 1 1.70600 0.20000 . 2 . . . . . . . . 6894 1 444 . 1 1 38 38 LYS CE C 13 41.40000 0.50000 . 1 . . . . . . . . 6894 1 445 . 1 1 38 38 LYS HE2 H 1 3.09900 0.20000 . 2 . . . . . . . . 6894 1 446 . 1 1 38 38 LYS HE3 H 1 3.05500 0.20000 . 2 . . . . . . . . 6894 1 447 . 1 1 39 39 HIS H H 1 7.54100 0.20000 . 1 . . . . . . . . 6894 1 448 . 1 1 39 39 HIS N N 15 116.57000 0.50000 . 1 . . . . . . . . 6894 1 449 . 1 1 39 39 HIS CA C 13 57.10000 0.50000 . 1 . . . . . . . . 6894 1 450 . 1 1 39 39 HIS HA H 1 4.50700 0.20000 . 1 . . . . . . . . 6894 1 451 . 1 1 39 39 HIS C C 13 173.16000 0.50000 . 1 . . . . . . . . 6894 1 452 . 1 1 39 39 HIS CB C 13 31.00000 0.50000 . 1 . . . . . . . . 6894 1 453 . 1 1 39 39 HIS HB2 H 1 3.48600 0.20000 . 1 . . . . . . . . 6894 1 454 . 1 1 39 39 HIS HB3 H 1 2.64200 0.20000 . 1 . . . . . . . . 6894 1 455 . 1 1 39 39 HIS HE1 H 1 8.01700 0.20000 . 1 . . . . . . . . 6894 1 456 . 1 1 39 39 HIS HD2 H 1 6.72000 0.20000 . 1 . . . . . . . . 6894 1 457 . 1 1 40 40 ASN H H 1 7.96000 0.20000 . 1 . . . . . . . . 6894 1 458 . 1 1 40 40 ASN N N 15 113.55000 0.50000 . 1 . . . . . . . . 6894 1 459 . 1 1 40 40 ASN CA C 13 54.40000 0.50000 . 1 . . . . . . . . 6894 1 460 . 1 1 40 40 ASN HA H 1 4.62500 0.20000 . 1 . . . . . . . . 6894 1 461 . 1 1 40 40 ASN CB C 13 36.80000 0.50000 . 1 . . . . . . . . 6894 1 462 . 1 1 40 40 ASN HB2 H 1 3.22500 0.20000 . 2 . . . . . . . . 6894 1 463 . 1 1 40 40 ASN HB3 H 1 2.93000 0.20000 . 2 . . . . . . . . 6894 1 464 . 1 1 40 40 ASN CG C 13 178.60001 0.50000 . 1 . . . . . . . . 6894 1 465 . 1 1 40 40 ASN ND2 N 15 112.30000 0.50000 . 1 . . . . . . . . 6894 1 466 . 1 1 40 40 ASN HD21 H 1 6.81200 0.20000 . 2 . . . . . . . . 6894 1 467 . 1 1 40 40 ASN HD22 H 1 7.82400 0.20000 . 2 . . . . . . . . 6894 1 468 . 1 1 41 41 LEU H H 1 8.16000 0.20000 . 1 . . . . . . . . 6894 1 469 . 1 1 41 41 LEU N N 15 119.25000 0.50000 . 1 . . . . . . . . 6894 1 470 . 1 1 41 41 LEU CA C 13 52.90000 0.50000 . 1 . . . . . . . . 6894 1 471 . 1 1 41 41 LEU HA H 1 4.77700 0.20000 . 1 . . . . . . . . 6894 1 472 . 1 1 41 41 LEU C C 13 177.82001 0.50000 . 1 . . . . . . . . 6894 1 473 . 1 1 41 41 LEU CB C 13 40.50000 0.50000 . 1 . . . . . . . . 6894 1 474 . 1 1 41 41 LEU HB2 H 1 1.37600 0.20000 . 2 . . . . . . . . 6894 1 475 . 1 1 41 41 LEU HG H 1 1.50600 0.20000 . 1 . . . . . . . . 6894 1 476 . 1 1 41 41 LEU CD1 C 13 26.10000 0.50000 . 2 . . . . . . . . 6894 1 477 . 1 1 41 41 LEU HD11 H 1 0.64900 0.20000 . 2 . . . . . . . . 6894 1 478 . 1 1 41 41 LEU HD12 H 1 0.64900 0.20000 . 2 . . . . . . . . 6894 1 479 . 1 1 41 41 LEU HD13 H 1 0.64900 0.20000 . 2 . . . . . . . . 6894 1 480 . 1 1 41 41 LEU HD21 H 1 0.84000 0.20000 . 2 . . . . . . . . 6894 1 481 . 1 1 41 41 LEU HD22 H 1 0.84000 0.20000 . 2 . . . . . . . . 6894 1 482 . 1 1 41 41 LEU HD23 H 1 0.84000 0.20000 . 2 . . . . . . . . 6894 1 483 . 1 1 42 42 GLU H H 1 8.81500 0.20000 . 1 . . . . . . . . 6894 1 484 . 1 1 42 42 GLU N N 15 120.24000 0.50000 . 1 . . . . . . . . 6894 1 485 . 1 1 42 42 GLU CA C 13 59.10000 0.50000 . 1 . . . . . . . . 6894 1 486 . 1 1 42 42 GLU HA H 1 4.07200 0.20000 . 1 . . . . . . . . 6894 1 487 . 1 1 42 42 GLU C C 13 177.56000 0.50000 . 1 . . . . . . . . 6894 1 488 . 1 1 42 42 GLU CB C 13 30.10000 0.50000 . 1 . . . . . . . . 6894 1 489 . 1 1 42 42 GLU HB2 H 1 2.06400 0.20000 . 2 . . . . . . . . 6894 1 490 . 1 1 42 42 GLU HB3 H 1 1.98500 0.20000 . 2 . . . . . . . . 6894 1 491 . 1 1 42 42 GLU CG C 13 36.70000 0.50000 . 1 . . . . . . . . 6894 1 492 . 1 1 42 42 GLU HG2 H 1 2.32400 0.20000 . 2 . . . . . . . . 6894 1 493 . 1 1 43 43 GLU H H 1 8.68100 0.20000 . 1 . . . . . . . . 6894 1 494 . 1 1 43 43 GLU N N 15 115.10000 0.50000 . 1 . . . . . . . . 6894 1 495 . 1 1 43 43 GLU CA C 13 56.50000 0.50000 . 1 . . . . . . . . 6894 1 496 . 1 1 43 43 GLU HA H 1 4.30800 0.20000 . 1 . . . . . . . . 6894 1 497 . 1 1 43 43 GLU C C 13 176.27000 0.50000 . 1 . . . . . . . . 6894 1 498 . 1 1 43 43 GLU CB C 13 29.10000 0.50000 . 1 . . . . . . . . 6894 1 499 . 1 1 43 43 GLU HB2 H 1 1.98000 0.20000 . 2 . . . . . . . . 6894 1 500 . 1 1 43 43 GLU HB3 H 1 1.96400 0.20000 . 2 . . . . . . . . 6894 1 501 . 1 1 43 43 GLU CG C 13 36.70000 0.50000 . 1 . . . . . . . . 6894 1 502 . 1 1 43 43 GLU HG2 H 1 2.29800 0.20000 . 2 . . . . . . . . 6894 1 503 . 1 1 43 43 GLU HG3 H 1 2.25400 0.20000 . 2 . . . . . . . . 6894 1 504 . 1 1 44 44 GLU H H 1 7.43100 0.20000 . 1 . . . . . . . . 6894 1 505 . 1 1 44 44 GLU N N 15 118.95000 0.50000 . 1 . . . . . . . . 6894 1 506 . 1 1 44 44 GLU CA C 13 55.00000 0.50000 . 1 . . . . . . . . 6894 1 507 . 1 1 44 44 GLU HA H 1 4.54000 0.20000 . 1 . . . . . . . . 6894 1 508 . 1 1 44 44 GLU C C 13 174.72000 0.50000 . 1 . . . . . . . . 6894 1 509 . 1 1 44 44 GLU CB C 13 31.70000 0.50000 . 1 . . . . . . . . 6894 1 510 . 1 1 44 44 GLU HB2 H 1 1.81300 0.20000 . 2 . . . . . . . . 6894 1 511 . 1 1 44 44 GLU CG C 13 37.00000 0.50000 . 1 . . . . . . . . 6894 1 512 . 1 1 44 44 GLU HG2 H 1 2.37000 0.20000 . 2 . . . . . . . . 6894 1 513 . 1 1 44 44 GLU HG3 H 1 2.26900 0.20000 . 2 . . . . . . . . 6894 1 514 . 1 1 45 45 GLU H H 1 9.08000 0.20000 . 1 . . . . . . . . 6894 1 515 . 1 1 45 45 GLU N N 15 120.30000 0.50000 . 1 . . . . . . . . 6894 1 516 . 1 1 45 45 GLU CA C 13 52.20000 0.50000 . 1 . . . . . . . . 6894 1 517 . 1 1 45 45 GLU HA H 1 4.90600 0.20000 . 1 . . . . . . . . 6894 1 518 . 1 1 45 45 GLU CB C 13 30.60000 0.50000 . 1 . . . . . . . . 6894 1 519 . 1 1 45 45 GLU HB2 H 1 2.31300 0.20000 . 2 . . . . . . . . 6894 1 520 . 1 1 45 45 GLU HB3 H 1 1.90900 0.20000 . 2 . . . . . . . . 6894 1 521 . 1 1 45 45 GLU CG C 13 35.40000 0.50000 . 1 . . . . . . . . 6894 1 522 . 1 1 45 45 GLU HG2 H 1 2.35500 0.20000 . 2 . . . . . . . . 6894 1 523 . 1 1 46 46 PRO CA C 13 64.80000 0.50000 . 1 . . . . . . . . 6894 1 524 . 1 1 46 46 PRO HA H 1 4.48400 0.20000 . 1 . . . . . . . . 6894 1 525 . 1 1 46 46 PRO C C 13 178.08000 0.50000 . 1 . . . . . . . . 6894 1 526 . 1 1 46 46 PRO CB C 13 32.20000 0.50000 . 1 . . . . . . . . 6894 1 527 . 1 1 46 46 PRO HB2 H 1 2.23600 0.20000 . 2 . . . . . . . . 6894 1 528 . 1 1 46 46 PRO HB3 H 1 2.03900 0.20000 . 2 . . . . . . . . 6894 1 529 . 1 1 46 46 PRO HG2 H 1 1.92700 0.20000 . 2 . . . . . . . . 6894 1 530 . 1 1 46 46 PRO CD C 13 51.00000 0.50000 . 1 . . . . . . . . 6894 1 531 . 1 1 46 46 PRO HD2 H 1 3.98600 0.20000 . 2 . . . . . . . . 6894 1 532 . 1 1 46 46 PRO HD3 H 1 4.04600 0.20000 . 2 . . . . . . . . 6894 1 533 . 1 1 47 47 GLU H H 1 8.86500 0.20000 . 1 . . . . . . . . 6894 1 534 . 1 1 47 47 GLU N N 15 114.98000 0.50000 . 1 . . . . . . . . 6894 1 535 . 1 1 47 47 GLU CA C 13 58.60000 0.50000 . 1 . . . . . . . . 6894 1 536 . 1 1 47 47 GLU HA H 1 4.26600 0.20000 . 1 . . . . . . . . 6894 1 537 . 1 1 47 47 GLU C C 13 176.78999 0.50000 . 1 . . . . . . . . 6894 1 538 . 1 1 47 47 GLU CB C 13 28.60000 0.50000 . 1 . . . . . . . . 6894 1 539 . 1 1 47 47 GLU HB2 H 1 2.07600 0.20000 . 2 . . . . . . . . 6894 1 540 . 1 1 47 47 GLU HB3 H 1 2.07500 0.20000 . 2 . . . . . . . . 6894 1 541 . 1 1 47 47 GLU CG C 13 36.80000 0.50000 . 1 . . . . . . . . 6894 1 542 . 1 1 47 47 GLU HG2 H 1 2.41000 0.20000 . 2 . . . . . . . . 6894 1 543 . 1 1 47 47 GLU HG3 H 1 2.34000 0.20000 . 2 . . . . . . . . 6894 1 544 . 1 1 48 48 ASP H H 1 7.99500 0.20000 . 1 . . . . . . . . 6894 1 545 . 1 1 48 48 ASP N N 15 117.48000 0.50000 . 1 . . . . . . . . 6894 1 546 . 1 1 48 48 ASP CA C 13 55.00000 0.50000 . 1 . . . . . . . . 6894 1 547 . 1 1 48 48 ASP HA H 1 4.71200 0.20000 . 1 . . . . . . . . 6894 1 548 . 1 1 48 48 ASP C C 13 174.70000 0.50000 . 1 . . . . . . . . 6894 1 549 . 1 1 48 48 ASP CB C 13 41.00000 0.50000 . 1 . . . . . . . . 6894 1 550 . 1 1 48 48 ASP HB2 H 1 2.95900 0.20000 . 1 . . . . . . . . 6894 1 551 . 1 1 48 48 ASP HB3 H 1 2.70200 0.20000 . 1 . . . . . . . . 6894 1 552 . 1 1 49 49 TYR H H 1 8.09400 0.20000 . 1 . . . . . . . . 6894 1 553 . 1 1 49 49 TYR N N 15 119.24000 0.50000 . 1 . . . . . . . . 6894 1 554 . 1 1 49 49 TYR CA C 13 58.10000 0.50000 . 1 . . . . . . . . 6894 1 555 . 1 1 49 49 TYR HA H 1 5.03100 0.20000 . 1 . . . . . . . . 6894 1 556 . 1 1 49 49 TYR C C 13 173.67999 0.50000 . 1 . . . . . . . . 6894 1 557 . 1 1 49 49 TYR CB C 13 43.60000 0.50000 . 1 . . . . . . . . 6894 1 558 . 1 1 49 49 TYR HB2 H 1 2.85200 0.20000 . 1 . . . . . . . . 6894 1 559 . 1 1 49 49 TYR HB3 H 1 2.74200 0.20000 . 1 . . . . . . . . 6894 1 560 . 1 1 49 49 TYR CD1 C 13 132.80000 0.50000 . 1 . . . . . . . . 6894 1 561 . 1 1 49 49 TYR HD1 H 1 6.88000 0.20000 . 3 . . . . . . . . 6894 1 562 . 1 1 49 49 TYR CD2 C 13 132.80000 0.50000 . 1 . . . . . . . . 6894 1 563 . 1 1 49 49 TYR CE1 C 13 117.00000 0.50000 . 1 . . . . . . . . 6894 1 564 . 1 1 49 49 TYR HE1 H 1 6.71800 0.20000 . 3 . . . . . . . . 6894 1 565 . 1 1 49 49 TYR CE2 C 13 117.00000 0.50000 . 1 . . . . . . . . 6894 1 566 . 1 1 50 50 GLU H H 1 9.18000 0.20000 . 1 . . . . . . . . 6894 1 567 . 1 1 50 50 GLU N N 15 116.37000 0.50000 . 1 . . . . . . . . 6894 1 568 . 1 1 50 50 GLU CA C 13 53.90000 0.50000 . 1 . . . . . . . . 6894 1 569 . 1 1 50 50 GLU HA H 1 4.65500 0.20000 . 1 . . . . . . . . 6894 1 570 . 1 1 50 50 GLU C C 13 172.91000 0.50000 . 1 . . . . . . . . 6894 1 571 . 1 1 50 50 GLU CB C 13 33.70000 0.50000 . 1 . . . . . . . . 6894 1 572 . 1 1 50 50 GLU HB2 H 1 1.95600 0.20000 . 2 . . . . . . . . 6894 1 573 . 1 1 50 50 GLU HB3 H 1 1.90600 0.20000 . 2 . . . . . . . . 6894 1 574 . 1 1 50 50 GLU CG C 13 35.80000 0.50000 . 1 . . . . . . . . 6894 1 575 . 1 1 50 50 GLU HG2 H 1 2.14000 0.20000 . 2 . . . . . . . . 6894 1 576 . 1 1 50 50 GLU HG3 H 1 2.06700 0.20000 . 2 . . . . . . . . 6894 1 577 . 1 1 51 51 LEU H H 1 9.31700 0.20000 . 1 . . . . . . . . 6894 1 578 . 1 1 51 51 LEU N N 15 123.28000 0.50000 . 1 . . . . . . . . 6894 1 579 . 1 1 51 51 LEU CA C 13 52.90000 0.50000 . 1 . . . . . . . . 6894 1 580 . 1 1 51 51 LEU HA H 1 5.18400 0.20000 . 1 . . . . . . . . 6894 1 581 . 1 1 51 51 LEU C C 13 174.72000 0.50000 . 1 . . . . . . . . 6894 1 582 . 1 1 51 51 LEU CB C 13 44.60000 0.50000 . 1 . . . . . . . . 6894 1 583 . 1 1 51 51 LEU HB2 H 1 1.84600 0.20000 . 2 . . . . . . . . 6894 1 584 . 1 1 51 51 LEU HB3 H 1 1.27700 0.20000 . 2 . . . . . . . . 6894 1 585 . 1 1 51 51 LEU CG C 13 26.90000 0.50000 . 1 . . . . . . . . 6894 1 586 . 1 1 51 51 LEU HG H 1 1.54400 0.20000 . 1 . . . . . . . . 6894 1 587 . 1 1 51 51 LEU CD1 C 13 25.45000 0.50000 . 2 . . . . . . . . 6894 1 588 . 1 1 51 51 LEU HD11 H 1 0.57100 0.20000 . 2 . . . . . . . . 6894 1 589 . 1 1 51 51 LEU HD12 H 1 0.57100 0.20000 . 2 . . . . . . . . 6894 1 590 . 1 1 51 51 LEU HD13 H 1 0.57100 0.20000 . 2 . . . . . . . . 6894 1 591 . 1 1 51 51 LEU CD2 C 13 24.10000 0.50000 . 2 . . . . . . . . 6894 1 592 . 1 1 51 51 LEU HD21 H 1 0.69300 0.20000 . 2 . . . . . . . . 6894 1 593 . 1 1 51 51 LEU HD22 H 1 0.69300 0.20000 . 2 . . . . . . . . 6894 1 594 . 1 1 51 51 LEU HD23 H 1 0.69300 0.20000 . 2 . . . . . . . . 6894 1 595 . 1 1 52 52 LEU H H 1 9.05600 0.20000 . 1 . . . . . . . . 6894 1 596 . 1 1 52 52 LEU N N 15 123.16000 0.50000 . 1 . . . . . . . . 6894 1 597 . 1 1 52 52 LEU CA C 13 52.90000 0.50000 . 1 . . . . . . . . 6894 1 598 . 1 1 52 52 LEU HA H 1 5.41900 0.20000 . 1 . . . . . . . . 6894 1 599 . 1 1 52 52 LEU C C 13 175.49001 0.50000 . 1 . . . . . . . . 6894 1 600 . 1 1 52 52 LEU CB C 13 44.10000 0.50000 . 1 . . . . . . . . 6894 1 601 . 1 1 52 52 LEU HB2 H 1 1.66600 0.20000 . 2 . . . . . . . . 6894 1 602 . 1 1 52 52 LEU HB3 H 1 1.20800 0.20000 . 2 . . . . . . . . 6894 1 603 . 1 1 52 52 LEU CG C 13 28.00000 0.50000 . 1 . . . . . . . . 6894 1 604 . 1 1 52 52 LEU HG H 1 1.60200 0.20000 . 1 . . . . . . . . 6894 1 605 . 1 1 52 52 LEU CD1 C 13 25.50000 0.50000 . 2 . . . . . . . . 6894 1 606 . 1 1 52 52 LEU HD11 H 1 0.77800 0.20000 . 2 . . . . . . . . 6894 1 607 . 1 1 52 52 LEU HD12 H 1 0.77800 0.20000 . 2 . . . . . . . . 6894 1 608 . 1 1 52 52 LEU HD13 H 1 0.77800 0.20000 . 2 . . . . . . . . 6894 1 609 . 1 1 52 52 LEU CD2 C 13 26.30000 0.50000 . 2 . . . . . . . . 6894 1 610 . 1 1 52 52 LEU HD21 H 1 0.83600 0.20000 . 2 . . . . . . . . 6894 1 611 . 1 1 52 52 LEU HD22 H 1 0.83600 0.20000 . 2 . . . . . . . . 6894 1 612 . 1 1 52 52 LEU HD23 H 1 0.83600 0.20000 . 2 . . . . . . . . 6894 1 613 . 1 1 53 53 GLN H H 1 9.56300 0.20000 . 1 . . . . . . . . 6894 1 614 . 1 1 53 53 GLN N N 15 124.73000 0.50000 . 1 . . . . . . . . 6894 1 615 . 1 1 53 53 GLN CA C 13 54.40000 0.50000 . 1 . . . . . . . . 6894 1 616 . 1 1 53 53 GLN HA H 1 3.85500 0.20000 . 1 . . . . . . . . 6894 1 617 . 1 1 53 53 GLN C C 13 175.17999 0.50000 . 1 . . . . . . . . 6894 1 618 . 1 1 53 53 GLN CB C 13 29.60000 0.50000 . 1 . . . . . . . . 6894 1 619 . 1 1 53 53 GLN HB2 H 1 1.93600 0.20000 . 2 . . . . . . . . 6894 1 620 . 1 1 53 53 GLN HB3 H 1 1.89400 0.20000 . 2 . . . . . . . . 6894 1 621 . 1 1 53 53 GLN HG2 H 1 1.45000 0.20000 . 2 . . . . . . . . 6894 1 622 . 1 1 53 53 GLN HG3 H 1 1.17500 0.20000 . 2 . . . . . . . . 6894 1 623 . 1 1 53 53 GLN CD C 13 177.89999 0.50000 . 1 . . . . . . . . 6894 1 624 . 1 1 53 53 GLN NE2 N 15 106.10000 0.50000 . 1 . . . . . . . . 6894 1 625 . 1 1 53 53 GLN HE21 H 1 7.08600 0.20000 . 2 . . . . . . . . 6894 1 626 . 1 1 53 53 GLN HE22 H 1 7.14500 0.20000 . 2 . . . . . . . . 6894 1 627 . 1 1 54 54 ILE H H 1 8.70500 0.20000 . 1 . . . . . . . . 6894 1 628 . 1 1 54 54 ILE N N 15 127.70000 0.50000 . 1 . . . . . . . . 6894 1 629 . 1 1 54 54 ILE CA C 13 61.20000 0.50000 . 1 . . . . . . . . 6894 1 630 . 1 1 54 54 ILE HA H 1 3.98000 0.20000 . 1 . . . . . . . . 6894 1 631 . 1 1 54 54 ILE C C 13 175.00000 0.50000 . 1 . . . . . . . . 6894 1 632 . 1 1 54 54 ILE HB H 1 1.80300 0.20000 . 1 . . . . . . . . 6894 1 633 . 1 1 54 54 ILE HG12 H 1 1.47100 0.20000 . 2 . . . . . . . . 6894 1 634 . 1 1 54 54 ILE HG13 H 1 0.97300 0.20000 . 2 . . . . . . . . 6894 1 635 . 1 1 54 54 ILE CG2 C 13 17.50000 0.50000 . 1 . . . . . . . . 6894 1 636 . 1 1 54 54 ILE HG21 H 1 0.88400 0.20000 . 1 . . . . . . . . 6894 1 637 . 1 1 54 54 ILE HG22 H 1 0.88400 0.20000 . 1 . . . . . . . . 6894 1 638 . 1 1 54 54 ILE HG23 H 1 0.88400 0.20000 . 1 . . . . . . . . 6894 1 639 . 1 1 54 54 ILE CD1 C 13 12.60000 0.50000 . 1 . . . . . . . . 6894 1 640 . 1 1 54 54 ILE HD11 H 1 0.78700 0.20000 . 1 . . . . . . . . 6894 1 641 . 1 1 54 54 ILE HD12 H 1 0.78700 0.20000 . 1 . . . . . . . . 6894 1 642 . 1 1 54 54 ILE HD13 H 1 0.78700 0.20000 . 1 . . . . . . . . 6894 1 643 . 1 1 55 55 LEU H H 1 8.20700 0.20000 . 1 . . . . . . . . 6894 1 644 . 1 1 55 55 LEU N N 15 127.22000 0.50000 . 1 . . . . . . . . 6894 1 645 . 1 1 55 55 LEU CA C 13 53.90000 0.50000 . 1 . . . . . . . . 6894 1 646 . 1 1 55 55 LEU HA H 1 4.51500 0.20000 . 1 . . . . . . . . 6894 1 647 . 1 1 55 55 LEU C C 13 177.05000 0.50000 . 1 . . . . . . . . 6894 1 648 . 1 1 55 55 LEU CB C 13 42.00000 0.50000 . 1 . . . . . . . . 6894 1 649 . 1 1 55 55 LEU HB2 H 1 1.65400 0.20000 . 2 . . . . . . . . 6894 1 650 . 1 1 55 55 LEU HB3 H 1 1.56000 0.20000 . 2 . . . . . . . . 6894 1 651 . 1 1 55 55 LEU HG H 1 1.47000 0.20000 . 1 . . . . . . . . 6894 1 652 . 1 1 55 55 LEU HD11 H 1 0.65200 0.20000 . 2 . . . . . . . . 6894 1 653 . 1 1 55 55 LEU HD12 H 1 0.65200 0.20000 . 2 . . . . . . . . 6894 1 654 . 1 1 55 55 LEU HD13 H 1 0.65200 0.20000 . 2 . . . . . . . . 6894 1 655 . 1 1 55 55 LEU HD21 H 1 0.77800 0.20000 . 2 . . . . . . . . 6894 1 656 . 1 1 55 55 LEU HD22 H 1 0.77800 0.20000 . 2 . . . . . . . . 6894 1 657 . 1 1 55 55 LEU HD23 H 1 0.77800 0.20000 . 2 . . . . . . . . 6894 1 658 . 1 1 56 56 SER H H 1 8.21800 0.20000 . 1 . . . . . . . . 6894 1 659 . 1 1 56 56 SER N N 15 112.61000 0.50000 . 1 . . . . . . . . 6894 1 660 . 1 1 56 56 SER CA C 13 58.10000 0.50000 . 1 . . . . . . . . 6894 1 661 . 1 1 56 56 SER HA H 1 4.41600 0.20000 . 1 . . . . . . . . 6894 1 662 . 1 1 56 56 SER C C 13 173.92000 0.50000 . 1 . . . . . . . . 6894 1 663 . 1 1 56 56 SER CB C 13 63.80000 0.50000 . 1 . . . . . . . . 6894 1 664 . 1 1 56 56 SER HB2 H 1 4.03400 0.20000 . 2 . . . . . . . . 6894 1 665 . 1 1 56 56 SER HB3 H 1 3.98000 0.20000 . 2 . . . . . . . . 6894 1 666 . 1 1 57 57 ASP H H 1 8.75000 0.20000 . 1 . . . . . . . . 6894 1 667 . 1 1 57 57 ASP N N 15 118.05000 0.50000 . 1 . . . . . . . . 6894 1 668 . 1 1 57 57 ASP CA C 13 55.50000 0.50000 . 1 . . . . . . . . 6894 1 669 . 1 1 57 57 ASP HA H 1 4.34900 0.20000 . 1 . . . . . . . . 6894 1 670 . 1 1 57 57 ASP C C 13 175.49001 0.50000 . 1 . . . . . . . . 6894 1 671 . 1 1 57 57 ASP CB C 13 39.40000 0.50000 . 1 . . . . . . . . 6894 1 672 . 1 1 57 57 ASP HB2 H 1 2.71000 0.20000 . 1 . . . . . . . . 6894 1 673 . 1 1 57 57 ASP HB3 H 1 2.50900 0.20000 . 1 . . . . . . . . 6894 1 674 . 1 1 58 58 ASP H H 1 8.33600 0.20000 . 1 . . . . . . . . 6894 1 675 . 1 1 58 58 ASP N N 15 113.31000 0.50000 . 1 . . . . . . . . 6894 1 676 . 1 1 58 58 ASP CA C 13 54.30000 0.50000 . 1 . . . . . . . . 6894 1 677 . 1 1 58 58 ASP HA H 1 4.49000 0.20000 . 1 . . . . . . . . 6894 1 678 . 1 1 58 58 ASP C C 13 175.49001 0.50000 . 1 . . . . . . . . 6894 1 679 . 1 1 58 58 ASP CB C 13 40.40000 0.50000 . 1 . . . . . . . . 6894 1 680 . 1 1 58 58 ASP HB2 H 1 2.79800 0.20000 . 2 . . . . . . . . 6894 1 681 . 1 1 58 58 ASP HB3 H 1 2.72200 0.20000 . 2 . . . . . . . . 6894 1 682 . 1 1 59 59 ARG H H 1 7.34700 0.20000 . 1 . . . . . . . . 6894 1 683 . 1 1 59 59 ARG N N 15 119.25000 0.50000 . 1 . . . . . . . . 6894 1 684 . 1 1 59 59 ARG CA C 13 55.80000 0.50000 . 1 . . . . . . . . 6894 1 685 . 1 1 59 59 ARG HA H 1 4.51900 0.20000 . 1 . . . . . . . . 6894 1 686 . 1 1 59 59 ARG C C 13 174.46001 0.50000 . 1 . . . . . . . . 6894 1 687 . 1 1 59 59 ARG CB C 13 32.20000 0.50000 . 1 . . . . . . . . 6894 1 688 . 1 1 59 59 ARG HB2 H 1 1.82500 0.20000 . 2 . . . . . . . . 6894 1 689 . 1 1 59 59 ARG HB3 H 1 1.65300 0.20000 . 2 . . . . . . . . 6894 1 690 . 1 1 59 59 ARG CG C 13 27.50000 0.50000 . 1 . . . . . . . . 6894 1 691 . 1 1 59 59 ARG HG2 H 1 1.65600 0.20000 . 2 . . . . . . . . 6894 1 692 . 1 1 59 59 ARG HG3 H 1 1.56000 0.20000 . 2 . . . . . . . . 6894 1 693 . 1 1 59 59 ARG CD C 13 43.30000 0.50000 . 1 . . . . . . . . 6894 1 694 . 1 1 59 59 ARG HD2 H 1 3.23300 0.20000 . 2 . . . . . . . . 6894 1 695 . 1 1 59 59 ARG HD3 H 1 3.17500 0.20000 . 2 . . . . . . . . 6894 1 696 . 1 1 59 59 ARG HE H 1 7.23000 0.20000 . 1 . . . . . . . . 6894 1 697 . 1 1 60 60 LYS H H 1 8.42200 0.20000 . 1 . . . . . . . . 6894 1 698 . 1 1 60 60 LYS N N 15 120.63000 0.50000 . 1 . . . . . . . . 6894 1 699 . 1 1 60 60 LYS CA C 13 53.90000 0.50000 . 1 . . . . . . . . 6894 1 700 . 1 1 60 60 LYS HA H 1 5.20900 0.20000 . 1 . . . . . . . . 6894 1 701 . 1 1 60 60 LYS C C 13 175.24001 0.50000 . 1 . . . . . . . . 6894 1 702 . 1 1 60 60 LYS CB C 13 35.80000 0.50000 . 1 . . . . . . . . 6894 1 703 . 1 1 60 60 LYS HB2 H 1 1.66400 0.20000 . 2 . . . . . . . . 6894 1 704 . 1 1 60 60 LYS HB3 H 1 1.54600 0.20000 . 2 . . . . . . . . 6894 1 705 . 1 1 60 60 LYS CG C 13 25.60000 0.50000 . 1 . . . . . . . . 6894 1 706 . 1 1 60 60 LYS HG2 H 1 1.29700 0.20000 . 2 . . . . . . . . 6894 1 707 . 1 1 60 60 LYS CD C 13 28.90000 0.50000 . 1 . . . . . . . . 6894 1 708 . 1 1 60 60 LYS HD2 H 1 1.54000 0.20000 . 2 . . . . . . . . 6894 1 709 . 1 1 60 60 LYS HD3 H 1 1.47100 0.20000 . 2 . . . . . . . . 6894 1 710 . 1 1 60 60 LYS CE C 13 41.40000 0.50000 . 1 . . . . . . . . 6894 1 711 . 1 1 60 60 LYS HE2 H 1 2.94900 0.20000 . 2 . . . . . . . . 6894 1 712 . 1 1 60 60 LYS HE3 H 1 2.84100 0.20000 . 2 . . . . . . . . 6894 1 713 . 1 1 61 61 LEU H H 1 9.17400 0.20000 . 1 . . . . . . . . 6894 1 714 . 1 1 61 61 LEU N N 15 125.33000 0.50000 . 1 . . . . . . . . 6894 1 715 . 1 1 61 61 LEU CA C 13 52.90000 0.50000 . 1 . . . . . . . . 6894 1 716 . 1 1 61 61 LEU HA H 1 4.68600 0.20000 . 1 . . . . . . . . 6894 1 717 . 1 1 61 61 LEU C C 13 174.98000 0.50000 . 1 . . . . . . . . 6894 1 718 . 1 1 61 61 LEU CB C 13 45.10000 0.50000 . 1 . . . . . . . . 6894 1 719 . 1 1 61 61 LEU HB2 H 1 1.86600 0.20000 . 2 . . . . . . . . 6894 1 720 . 1 1 61 61 LEU HB3 H 1 1.37300 0.20000 . 2 . . . . . . . . 6894 1 721 . 1 1 61 61 LEU CG C 13 27.20000 0.50000 . 1 . . . . . . . . 6894 1 722 . 1 1 61 61 LEU HG H 1 1.45300 0.20000 . 1 . . . . . . . . 6894 1 723 . 1 1 61 61 LEU CD1 C 13 25.80000 0.50000 . 2 . . . . . . . . 6894 1 724 . 1 1 61 61 LEU HD11 H 1 0.99200 0.20000 . 2 . . . . . . . . 6894 1 725 . 1 1 61 61 LEU HD12 H 1 0.99200 0.20000 . 2 . . . . . . . . 6894 1 726 . 1 1 61 61 LEU HD13 H 1 0.99200 0.20000 . 2 . . . . . . . . 6894 1 727 . 1 1 61 61 LEU CD2 C 13 23.70000 0.50000 . 2 . . . . . . . . 6894 1 728 . 1 1 61 61 LEU HD21 H 1 1.00100 0.20000 . 2 . . . . . . . . 6894 1 729 . 1 1 61 61 LEU HD22 H 1 1.00100 0.20000 . 2 . . . . . . . . 6894 1 730 . 1 1 61 61 LEU HD23 H 1 1.00100 0.20000 . 2 . . . . . . . . 6894 1 731 . 1 1 62 62 LYS H H 1 8.91400 0.20000 . 1 . . . . . . . . 6894 1 732 . 1 1 62 62 LYS N N 15 127.93000 0.50000 . 1 . . . . . . . . 6894 1 733 . 1 1 62 62 LYS CA C 13 56.50000 0.50000 . 1 . . . . . . . . 6894 1 734 . 1 1 62 62 LYS HA H 1 4.45200 0.20000 . 1 . . . . . . . . 6894 1 735 . 1 1 62 62 LYS C C 13 175.75000 0.50000 . 1 . . . . . . . . 6894 1 736 . 1 1 62 62 LYS CB C 13 32.20000 0.50000 . 1 . . . . . . . . 6894 1 737 . 1 1 62 62 LYS HB2 H 1 1.77600 0.20000 . 2 . . . . . . . . 6894 1 738 . 1 1 62 62 LYS HB3 H 1 1.70800 0.20000 . 2 . . . . . . . . 6894 1 739 . 1 1 62 62 LYS CG C 13 25.20000 0.50000 . 1 . . . . . . . . 6894 1 740 . 1 1 62 62 LYS HG2 H 1 1.32100 0.20000 . 2 . . . . . . . . 6894 1 741 . 1 1 62 62 LYS HG3 H 1 1.22000 0.20000 . 2 . . . . . . . . 6894 1 742 . 1 1 62 62 LYS CD C 13 28.90000 0.50000 . 1 . . . . . . . . 6894 1 743 . 1 1 62 62 LYS HD2 H 1 1.70200 0.20000 . 2 . . . . . . . . 6894 1 744 . 1 1 62 62 LYS HD3 H 1 1.58700 0.20000 . 2 . . . . . . . . 6894 1 745 . 1 1 62 62 LYS CE C 13 41.40000 0.50000 . 1 . . . . . . . . 6894 1 746 . 1 1 62 62 LYS HE2 H 1 2.99600 0.20000 . 2 . . . . . . . . 6894 1 747 . 1 1 62 62 LYS HE3 H 1 2.96100 0.20000 . 2 . . . . . . . . 6894 1 748 . 1 1 63 63 ILE H H 1 8.71000 0.20000 . 1 . . . . . . . . 6894 1 749 . 1 1 63 63 ILE N N 15 128.89000 0.50000 . 1 . . . . . . . . 6894 1 750 . 1 1 63 63 ILE CA C 13 55.10000 0.50000 . 1 . . . . . . . . 6894 1 751 . 1 1 63 63 ILE HA H 1 4.52300 0.20000 . 1 . . . . . . . . 6894 1 752 . 1 1 63 63 ILE HB H 1 2.38100 0.20000 . 2 . . . . . . . . 6894 1 753 . 1 1 63 63 ILE CG1 C 13 31.30000 0.50000 . 1 . . . . . . . . 6894 1 754 . 1 1 63 63 ILE HG12 H 1 1.96500 0.20000 . 2 . . . . . . . . 6894 1 755 . 1 1 63 63 ILE HG13 H 1 1.34100 0.20000 . 2 . . . . . . . . 6894 1 756 . 1 1 63 63 ILE CG2 C 13 17.10000 0.50000 . 1 . . . . . . . . 6894 1 757 . 1 1 63 63 ILE HG21 H 1 0.99400 0.20000 . 1 . . . . . . . . 6894 1 758 . 1 1 63 63 ILE HG22 H 1 0.99400 0.20000 . 1 . . . . . . . . 6894 1 759 . 1 1 63 63 ILE HG23 H 1 0.99400 0.20000 . 1 . . . . . . . . 6894 1 760 . 1 1 63 63 ILE HD11 H 1 0.84200 0.20000 . 1 . . . . . . . . 6894 1 761 . 1 1 63 63 ILE HD12 H 1 0.84200 0.20000 . 1 . . . . . . . . 6894 1 762 . 1 1 63 63 ILE HD13 H 1 0.84200 0.20000 . 1 . . . . . . . . 6894 1 763 . 1 1 64 64 PRO CA C 13 63.20000 0.50000 . 1 . . . . . . . . 6894 1 764 . 1 1 64 64 PRO HA H 1 4.34800 0.20000 . 1 . . . . . . . . 6894 1 765 . 1 1 64 64 PRO C C 13 176.53000 0.50000 . 1 . . . . . . . . 6894 1 766 . 1 1 64 64 PRO CB C 13 32.20000 0.50000 . 1 . . . . . . . . 6894 1 767 . 1 1 64 64 PRO HB2 H 1 2.51100 0.20000 . 2 . . . . . . . . 6894 1 768 . 1 1 64 64 PRO HB3 H 1 1.95900 0.20000 . 2 . . . . . . . . 6894 1 769 . 1 1 64 64 PRO HG2 H 1 2.16300 0.20000 . 2 . . . . . . . . 6894 1 770 . 1 1 64 64 PRO HG3 H 1 2.03900 0.20000 . 2 . . . . . . . . 6894 1 771 . 1 1 64 64 PRO CD C 13 51.20000 0.50000 . 1 . . . . . . . . 6894 1 772 . 1 1 64 64 PRO HD2 H 1 3.33400 0.20000 . 2 . . . . . . . . 6894 1 773 . 1 1 65 65 GLU H H 1 8.67400 0.20000 . 1 . . . . . . . . 6894 1 774 . 1 1 65 65 GLU N N 15 118.73000 0.50000 . 1 . . . . . . . . 6894 1 775 . 1 1 65 65 GLU CA C 13 59.10000 0.50000 . 1 . . . . . . . . 6894 1 776 . 1 1 65 65 GLU HA H 1 4.00500 0.20000 . 1 . . . . . . . . 6894 1 777 . 1 1 65 65 GLU C C 13 176.27000 0.50000 . 1 . . . . . . . . 6894 1 778 . 1 1 65 65 GLU CB C 13 29.60000 0.50000 . 1 . . . . . . . . 6894 1 779 . 1 1 65 65 GLU HB2 H 1 2.12500 0.20000 . 2 . . . . . . . . 6894 1 780 . 1 1 65 65 GLU HB3 H 1 2.06200 0.20000 . 2 . . . . . . . . 6894 1 781 . 1 1 65 65 GLU CG C 13 36.50000 0.50000 . 1 . . . . . . . . 6894 1 782 . 1 1 65 65 GLU HG2 H 1 2.44000 0.20000 . 2 . . . . . . . . 6894 1 783 . 1 1 65 65 GLU HG3 H 1 2.38500 0.20000 . 2 . . . . . . . . 6894 1 784 . 1 1 66 66 ASN H H 1 8.37200 0.20000 . 1 . . . . . . . . 6894 1 785 . 1 1 66 66 ASN N N 15 113.90000 0.50000 . 1 . . . . . . . . 6894 1 786 . 1 1 66 66 ASN CA C 13 51.90000 0.50000 . 1 . . . . . . . . 6894 1 787 . 1 1 66 66 ASN HA H 1 4.90700 0.20000 . 1 . . . . . . . . 6894 1 788 . 1 1 66 66 ASN C C 13 174.58000 0.50000 . 1 . . . . . . . . 6894 1 789 . 1 1 66 66 ASN CB C 13 38.40000 0.50000 . 1 . . . . . . . . 6894 1 790 . 1 1 66 66 ASN HB2 H 1 2.90500 0.20000 . 2 . . . . . . . . 6894 1 791 . 1 1 66 66 ASN CG C 13 177.82001 0.50000 . 1 . . . . . . . . 6894 1 792 . 1 1 66 66 ASN ND2 N 15 111.70000 0.50000 . 1 . . . . . . . . 6894 1 793 . 1 1 66 66 ASN HD21 H 1 6.91000 0.20000 . 2 . . . . . . . . 6894 1 794 . 1 1 66 66 ASN HD22 H 1 7.61900 0.20000 . 2 . . . . . . . . 6894 1 795 . 1 1 67 67 ALA H H 1 7.71100 0.20000 . 1 . . . . . . . . 6894 1 796 . 1 1 67 67 ALA N N 15 120.52000 0.50000 . 1 . . . . . . . . 6894 1 797 . 1 1 67 67 ALA CA C 13 51.30000 0.50000 . 1 . . . . . . . . 6894 1 798 . 1 1 67 67 ALA HA H 1 4.43800 0.20000 . 1 . . . . . . . . 6894 1 799 . 1 1 67 67 ALA CB C 13 20.80000 0.50000 . 1 . . . . . . . . 6894 1 800 . 1 1 67 67 ALA HB1 H 1 1.40300 0.20000 . 1 . . . . . . . . 6894 1 801 . 1 1 67 67 ALA HB2 H 1 1.40300 0.20000 . 1 . . . . . . . . 6894 1 802 . 1 1 67 67 ALA HB3 H 1 1.40300 0.20000 . 1 . . . . . . . . 6894 1 803 . 1 1 68 68 ASN H H 1 8.79500 0.20000 . 1 . . . . . . . . 6894 1 804 . 1 1 68 68 ASN N N 15 119.16000 0.50000 . 1 . . . . . . . . 6894 1 805 . 1 1 68 68 ASN CA C 13 53.40000 0.50000 . 1 . . . . . . . . 6894 1 806 . 1 1 68 68 ASN HA H 1 4.86200 0.20000 . 1 . . . . . . . . 6894 1 807 . 1 1 68 68 ASN C C 13 175.24001 0.50000 . 1 . . . . . . . . 6894 1 808 . 1 1 68 68 ASN CB C 13 37.90000 0.50000 . 1 . . . . . . . . 6894 1 809 . 1 1 68 68 ASN HB2 H 1 2.87500 0.20000 . 2 . . . . . . . . 6894 1 810 . 1 1 68 68 ASN CG C 13 175.24001 0.50000 . 1 . . . . . . . . 6894 1 811 . 1 1 68 68 ASN ND2 N 15 112.10000 0.50000 . 1 . . . . . . . . 6894 1 812 . 1 1 68 68 ASN HD21 H 1 7.13200 0.20000 . 2 . . . . . . . . 6894 1 813 . 1 1 68 68 ASN HD22 H 1 7.43400 0.20000 . 2 . . . . . . . . 6894 1 814 . 1 1 69 69 VAL H H 1 7.54100 0.20000 . 1 . . . . . . . . 6894 1 815 . 1 1 69 69 VAL N N 15 126.82000 0.50000 . 1 . . . . . . . . 6894 1 816 . 1 1 69 69 VAL CA C 13 67.40000 0.50000 . 1 . . . . . . . . 6894 1 817 . 1 1 69 69 VAL HA H 1 3.32100 0.20000 . 1 . . . . . . . . 6894 1 818 . 1 1 69 69 VAL C C 13 174.72000 0.50000 . 1 . . . . . . . . 6894 1 819 . 1 1 69 69 VAL HB H 1 1.87500 0.20000 . 1 . . . . . . . . 6894 1 820 . 1 1 69 69 VAL CG1 C 13 20.90000 0.50000 . 1 . . . . . . . . 6894 1 821 . 1 1 69 69 VAL HG11 H 1 0.73000 0.20000 . 1 . . . . . . . . 6894 1 822 . 1 1 69 69 VAL HG12 H 1 0.73000 0.20000 . 1 . . . . . . . . 6894 1 823 . 1 1 69 69 VAL HG13 H 1 0.73000 0.20000 . 1 . . . . . . . . 6894 1 824 . 1 1 69 69 VAL HG21 H 1 0.80000 0.20000 . 1 . . . . . . . . 6894 1 825 . 1 1 69 69 VAL HG22 H 1 0.80000 0.20000 . 1 . . . . . . . . 6894 1 826 . 1 1 69 69 VAL HG23 H 1 0.80000 0.20000 . 1 . . . . . . . . 6894 1 827 . 1 1 70 70 PHE H H 1 9.61500 0.20000 . 1 . . . . . . . . 6894 1 828 . 1 1 70 70 PHE N N 15 119.20000 0.50000 . 1 . . . . . . . . 6894 1 829 . 1 1 70 70 PHE CA C 13 60.70000 0.50000 . 1 . . . . . . . . 6894 1 830 . 1 1 70 70 PHE HA H 1 3.83400 0.20000 . 1 . . . . . . . . 6894 1 831 . 1 1 70 70 PHE C C 13 176.00999 0.50000 . 1 . . . . . . . . 6894 1 832 . 1 1 70 70 PHE CB C 13 39.90000 0.50000 . 1 . . . . . . . . 6894 1 833 . 1 1 70 70 PHE HB2 H 1 2.86600 0.20000 . 1 . . . . . . . . 6894 1 834 . 1 1 70 70 PHE HB3 H 1 2.56800 0.20000 . 1 . . . . . . . . 6894 1 835 . 1 1 70 70 PHE HD1 H 1 6.40500 0.20000 . 3 . . . . . . . . 6894 1 836 . 1 1 70 70 PHE CE1 C 13 132.80000 0.50000 . 1 . . . . . . . . 6894 1 837 . 1 1 70 70 PHE HE1 H 1 6.98000 0.20000 . 3 . . . . . . . . 6894 1 838 . 1 1 70 70 PHE CE2 C 13 132.80000 0.50000 . 1 . . . . . . . . 6894 1 839 . 1 1 70 70 PHE HZ H 1 7.10200 0.20000 . 1 . . . . . . . . 6894 1 840 . 1 1 71 71 TYR H H 1 7.54500 0.20000 . 1 . . . . . . . . 6894 1 841 . 1 1 71 71 TYR N N 15 113.09000 0.50000 . 1 . . . . . . . . 6894 1 842 . 1 1 71 71 TYR CA C 13 58.60000 0.50000 . 1 . . . . . . . . 6894 1 843 . 1 1 71 71 TYR HA H 1 4.51300 0.20000 . 1 . . . . . . . . 6894 1 844 . 1 1 71 71 TYR C C 13 176.27000 0.50000 . 1 . . . . . . . . 6894 1 845 . 1 1 71 71 TYR CB C 13 38.80000 0.50000 . 1 . . . . . . . . 6894 1 846 . 1 1 71 71 TYR HB2 H 1 3.33200 0.20000 . 1 . . . . . . . . 6894 1 847 . 1 1 71 71 TYR HB3 H 1 2.88700 0.20000 . 1 . . . . . . . . 6894 1 848 . 1 1 71 71 TYR CD1 C 13 132.80000 0.50000 . 1 . . . . . . . . 6894 1 849 . 1 1 71 71 TYR HD1 H 1 7.23800 0.20000 . 3 . . . . . . . . 6894 1 850 . 1 1 71 71 TYR CD2 C 13 132.80000 0.50000 . 1 . . . . . . . . 6894 1 851 . 1 1 71 71 TYR CE1 C 13 118.00000 0.50000 . 1 . . . . . . . . 6894 1 852 . 1 1 71 71 TYR HE1 H 1 7.03000 0.20000 . 3 . . . . . . . . 6894 1 853 . 1 1 71 71 TYR CE2 C 13 118.00000 0.50000 . 1 . . . . . . . . 6894 1 854 . 1 1 72 72 ALA H H 1 8.05500 0.20000 . 1 . . . . . . . . 6894 1 855 . 1 1 72 72 ALA N N 15 121.21000 0.50000 . 1 . . . . . . . . 6894 1 856 . 1 1 72 72 ALA CA C 13 52.90000 0.50000 . 1 . . . . . . . . 6894 1 857 . 1 1 72 72 ALA HA H 1 4.37800 0.20000 . 1 . . . . . . . . 6894 1 858 . 1 1 72 72 ALA C C 13 178.08000 0.50000 . 1 . . . . . . . . 6894 1 859 . 1 1 72 72 ALA CB C 13 20.20000 0.50000 . 1 . . . . . . . . 6894 1 860 . 1 1 72 72 ALA HB1 H 1 1.50300 0.20000 . 1 . . . . . . . . 6894 1 861 . 1 1 72 72 ALA HB2 H 1 1.50300 0.20000 . 1 . . . . . . . . 6894 1 862 . 1 1 72 72 ALA HB3 H 1 1.50300 0.20000 . 1 . . . . . . . . 6894 1 863 . 1 1 73 73 MET H H 1 7.85700 0.20000 . 1 . . . . . . . . 6894 1 864 . 1 1 73 73 MET N N 15 114.80000 0.50000 . 1 . . . . . . . . 6894 1 865 . 1 1 73 73 MET CA C 13 55.50000 0.50000 . 1 . . . . . . . . 6894 1 866 . 1 1 73 73 MET HA H 1 4.23400 0.20000 . 1 . . . . . . . . 6894 1 867 . 1 1 73 73 MET C C 13 173.67999 0.50000 . 1 . . . . . . . . 6894 1 868 . 1 1 73 73 MET HB2 H 1 2.19800 0.20000 . 2 . . . . . . . . 6894 1 869 . 1 1 73 73 MET HB3 H 1 1.85900 0.20000 . 2 . . . . . . . . 6894 1 870 . 1 1 73 73 MET HG2 H 1 2.62100 0.20000 . 2 . . . . . . . . 6894 1 871 . 1 1 73 73 MET HE1 H 1 1.38000 0.20000 . 1 . . . . . . . . 6894 1 872 . 1 1 73 73 MET HE2 H 1 1.38000 0.20000 . 1 . . . . . . . . 6894 1 873 . 1 1 73 73 MET HE3 H 1 1.38000 0.20000 . 1 . . . . . . . . 6894 1 874 . 1 1 74 74 ASN H H 1 9.62700 0.20000 . 1 . . . . . . . . 6894 1 875 . 1 1 74 74 ASN N N 15 120.31000 0.50000 . 1 . . . . . . . . 6894 1 876 . 1 1 74 74 ASN CA C 13 52.20000 0.50000 . 1 . . . . . . . . 6894 1 877 . 1 1 74 74 ASN HA H 1 4.76000 0.20000 . 1 . . . . . . . . 6894 1 878 . 1 1 74 74 ASN CB C 13 38.40000 0.50000 . 1 . . . . . . . . 6894 1 879 . 1 1 74 74 ASN HB2 H 1 2.71200 0.20000 . 2 . . . . . . . . 6894 1 880 . 1 1 74 74 ASN HB3 H 1 2.54600 0.20000 . 2 . . . . . . . . 6894 1 881 . 1 1 74 74 ASN CG C 13 176.28000 0.50000 . 1 . . . . . . . . 6894 1 882 . 1 1 74 74 ASN ND2 N 15 111.90000 0.50000 . 1 . . . . . . . . 6894 1 883 . 1 1 74 74 ASN HD21 H 1 7.00100 0.20000 . 2 . . . . . . . . 6894 1 884 . 1 1 74 74 ASN HD22 H 1 7.29100 0.20000 . 2 . . . . . . . . 6894 1 885 . 1 1 75 75 SER H H 1 8.74600 0.20000 . 1 . . . . . . . . 6894 1 886 . 1 1 75 75 SER N N 15 119.16000 0.50000 . 1 . . . . . . . . 6894 1 887 . 1 1 75 75 SER CA C 13 59.60000 0.50000 . 1 . . . . . . . . 6894 1 888 . 1 1 75 75 SER HA H 1 4.41800 0.20000 . 1 . . . . . . . . 6894 1 889 . 1 1 75 75 SER C C 13 175.22000 0.50000 . 1 . . . . . . . . 6894 1 890 . 1 1 75 75 SER CB C 13 62.70000 0.50000 . 1 . . . . . . . . 6894 1 891 . 1 1 75 75 SER HB2 H 1 4.04100 0.20000 . 2 . . . . . . . . 6894 1 892 . 1 1 75 75 SER HB3 H 1 3.91900 0.20000 . 2 . . . . . . . . 6894 1 893 . 1 1 76 76 THR H H 1 8.17500 0.20000 . 1 . . . . . . . . 6894 1 894 . 1 1 76 76 THR N N 15 113.12000 0.50000 . 1 . . . . . . . . 6894 1 895 . 1 1 76 76 THR CA C 13 61.20000 0.50000 . 1 . . . . . . . . 6894 1 896 . 1 1 76 76 THR HA H 1 4.50700 0.20000 . 1 . . . . . . . . 6894 1 897 . 1 1 76 76 THR C C 13 173.42000 0.50000 . 1 . . . . . . . . 6894 1 898 . 1 1 76 76 THR CB C 13 68.90000 0.50000 . 1 . . . . . . . . 6894 1 899 . 1 1 76 76 THR HB H 1 4.39000 0.20000 . 1 . . . . . . . . 6894 1 900 . 1 1 76 76 THR CG2 C 13 21.40000 0.50000 . 1 . . . . . . . . 6894 1 901 . 1 1 76 76 THR HG21 H 1 1.18200 0.20000 . 1 . . . . . . . . 6894 1 902 . 1 1 76 76 THR HG22 H 1 1.18200 0.20000 . 1 . . . . . . . . 6894 1 903 . 1 1 76 76 THR HG23 H 1 1.18200 0.20000 . 1 . . . . . . . . 6894 1 904 . 1 1 77 77 ALA H H 1 7.48400 0.20000 . 1 . . . . . . . . 6894 1 905 . 1 1 77 77 ALA N N 15 125.15000 0.50000 . 1 . . . . . . . . 6894 1 906 . 1 1 77 77 ALA CA C 13 50.80000 0.50000 . 1 . . . . . . . . 6894 1 907 . 1 1 77 77 ALA HA H 1 4.44000 0.20000 . 1 . . . . . . . . 6894 1 908 . 1 1 77 77 ALA C C 13 175.49001 0.50000 . 1 . . . . . . . . 6894 1 909 . 1 1 77 77 ALA CB C 13 19.80000 0.50000 . 1 . . . . . . . . 6894 1 910 . 1 1 77 77 ALA HB1 H 1 1.39000 0.20000 . 1 . . . . . . . . 6894 1 911 . 1 1 77 77 ALA HB2 H 1 1.39000 0.20000 . 1 . . . . . . . . 6894 1 912 . 1 1 77 77 ALA HB3 H 1 1.39000 0.20000 . 1 . . . . . . . . 6894 1 913 . 1 1 78 78 ASN H H 1 8.03900 0.20000 . 1 . . . . . . . . 6894 1 914 . 1 1 78 78 ASN N N 15 115.59000 0.50000 . 1 . . . . . . . . 6894 1 915 . 1 1 78 78 ASN CA C 13 52.90000 0.50000 . 1 . . . . . . . . 6894 1 916 . 1 1 78 78 ASN HA H 1 4.48700 0.20000 . 1 . . . . . . . . 6894 1 917 . 1 1 78 78 ASN C C 13 175.75000 0.50000 . 1 . . . . . . . . 6894 1 918 . 1 1 78 78 ASN CB C 13 38.40000 0.50000 . 1 . . . . . . . . 6894 1 919 . 1 1 78 78 ASN HB2 H 1 2.75300 0.20000 . 2 . . . . . . . . 6894 1 920 . 1 1 78 78 ASN HB3 H 1 2.69600 0.20000 . 2 . . . . . . . . 6894 1 921 . 1 1 78 78 ASN CG C 13 176.78999 0.50000 . 1 . . . . . . . . 6894 1 922 . 1 1 78 78 ASN ND2 N 15 113.20000 0.50000 . 1 . . . . . . . . 6894 1 923 . 1 1 78 78 ASN HD21 H 1 6.90900 0.20000 . 2 . . . . . . . . 6894 1 924 . 1 1 78 78 ASN HD22 H 1 7.64400 0.20000 . 2 . . . . . . . . 6894 1 925 . 1 1 79 79 TYR H H 1 8.52600 0.20000 . 1 . . . . . . . . 6894 1 926 . 1 1 79 79 TYR N N 15 124.35000 0.50000 . 1 . . . . . . . . 6894 1 927 . 1 1 79 79 TYR CA C 13 55.00000 0.50000 . 1 . . . . . . . . 6894 1 928 . 1 1 79 79 TYR HA H 1 4.75300 0.20000 . 1 . . . . . . . . 6894 1 929 . 1 1 79 79 TYR C C 13 173.42000 0.50000 . 1 . . . . . . . . 6894 1 930 . 1 1 79 79 TYR CB C 13 35.30000 0.50000 . 1 . . . . . . . . 6894 1 931 . 1 1 79 79 TYR HB2 H 1 3.53700 0.20000 . 2 . . . . . . . . 6894 1 932 . 1 1 79 79 TYR HB3 H 1 3.19200 0.20000 . 2 . . . . . . . . 6894 1 933 . 1 1 79 79 TYR CD1 C 13 132.80000 0.50000 . 1 . . . . . . . . 6894 1 934 . 1 1 79 79 TYR HD1 H 1 7.15600 0.20000 . 3 . . . . . . . . 6894 1 935 . 1 1 79 79 TYR CD2 C 13 132.80000 0.50000 . 1 . . . . . . . . 6894 1 936 . 1 1 79 79 TYR CE1 C 13 118.20000 0.50000 . 1 . . . . . . . . 6894 1 937 . 1 1 79 79 TYR HE1 H 1 6.82900 0.20000 . 3 . . . . . . . . 6894 1 938 . 1 1 79 79 TYR CE2 C 13 118.20000 0.50000 . 1 . . . . . . . . 6894 1 939 . 1 1 80 80 ASP H H 1 7.78300 0.20000 . 1 . . . . . . . . 6894 1 940 . 1 1 80 80 ASP N N 15 120.46000 0.50000 . 1 . . . . . . . . 6894 1 941 . 1 1 80 80 ASP CA C 13 53.40000 0.50000 . 1 . . . . . . . . 6894 1 942 . 1 1 80 80 ASP HA H 1 5.50900 0.20000 . 1 . . . . . . . . 6894 1 943 . 1 1 80 80 ASP C C 13 174.46001 0.50000 . 1 . . . . . . . . 6894 1 944 . 1 1 80 80 ASP CB C 13 42.50000 0.50000 . 1 . . . . . . . . 6894 1 945 . 1 1 80 80 ASP HB2 H 1 2.63500 0.20000 . 1 . . . . . . . . 6894 1 946 . 1 1 80 80 ASP HB3 H 1 2.48600 0.20000 . 1 . . . . . . . . 6894 1 947 . 1 1 81 81 PHE H H 1 9.49300 0.20000 . 1 . . . . . . . . 6894 1 948 . 1 1 81 81 PHE N N 15 119.64000 0.50000 . 1 . . . . . . . . 6894 1 949 . 1 1 81 81 PHE CA C 13 55.50000 0.50000 . 1 . . . . . . . . 6894 1 950 . 1 1 81 81 PHE HA H 1 5.70400 0.20000 . 1 . . . . . . . . 6894 1 951 . 1 1 81 81 PHE C C 13 174.98000 0.50000 . 1 . . . . . . . . 6894 1 952 . 1 1 81 81 PHE CB C 13 44.10000 0.50000 . 1 . . . . . . . . 6894 1 953 . 1 1 81 81 PHE HB2 H 1 3.06200 0.20000 . 1 . . . . . . . . 6894 1 954 . 1 1 81 81 PHE HB3 H 1 2.89500 0.20000 . 1 . . . . . . . . 6894 1 955 . 1 1 81 81 PHE CD1 C 13 132.80000 0.50000 . 1 . . . . . . . . 6894 1 956 . 1 1 81 81 PHE HD2 H 1 7.17400 0.20000 . 3 . . . . . . . . 6894 1 957 . 1 1 81 81 PHE CD2 C 13 132.80000 0.50000 . 1 . . . . . . . . 6894 1 958 . 1 1 81 81 PHE CE1 C 13 132.80000 0.50000 . 1 . . . . . . . . 6894 1 959 . 1 1 81 81 PHE HE2 H 1 6.96300 0.20000 . 3 . . . . . . . . 6894 1 960 . 1 1 81 81 PHE CE2 C 13 132.80000 0.50000 . 1 . . . . . . . . 6894 1 961 . 1 1 81 81 PHE HZ H 1 7.13900 0.20000 . 1 . . . . . . . . 6894 1 962 . 1 1 82 82 VAL H H 1 9.76000 0.20000 . 1 . . . . . . . . 6894 1 963 . 1 1 82 82 VAL N N 15 118.43000 0.50000 . 1 . . . . . . . . 6894 1 964 . 1 1 82 82 VAL CA C 13 59.10000 0.50000 . 1 . . . . . . . . 6894 1 965 . 1 1 82 82 VAL HA H 1 5.17200 0.20000 . 1 . . . . . . . . 6894 1 966 . 1 1 82 82 VAL C C 13 173.67999 0.50000 . 1 . . . . . . . . 6894 1 967 . 1 1 82 82 VAL CB C 13 35.80000 0.50000 . 1 . . . . . . . . 6894 1 968 . 1 1 82 82 VAL HB H 1 1.84300 0.20000 . 1 . . . . . . . . 6894 1 969 . 1 1 82 82 VAL HG11 H 1 0.86500 0.20000 . 1 . . . . . . . . 6894 1 970 . 1 1 82 82 VAL HG12 H 1 0.86500 0.20000 . 1 . . . . . . . . 6894 1 971 . 1 1 82 82 VAL HG13 H 1 0.86500 0.20000 . 1 . . . . . . . . 6894 1 972 . 1 1 82 82 VAL CG2 C 13 20.90000 0.50000 . 1 . . . . . . . . 6894 1 973 . 1 1 82 82 VAL HG21 H 1 0.87600 0.20000 . 1 . . . . . . . . 6894 1 974 . 1 1 82 82 VAL HG22 H 1 0.87600 0.20000 . 1 . . . . . . . . 6894 1 975 . 1 1 82 82 VAL HG23 H 1 0.87600 0.20000 . 1 . . . . . . . . 6894 1 976 . 1 1 83 83 LEU H H 1 8.44300 0.20000 . 1 . . . . . . . . 6894 1 977 . 1 1 83 83 LEU N N 15 125.33000 0.50000 . 1 . . . . . . . . 6894 1 978 . 1 1 83 83 LEU CA C 13 52.60000 0.50000 . 1 . . . . . . . . 6894 1 979 . 1 1 83 83 LEU HA H 1 5.20000 0.20000 . 1 . . . . . . . . 6894 1 980 . 1 1 83 83 LEU C C 13 174.72000 0.50000 . 1 . . . . . . . . 6894 1 981 . 1 1 83 83 LEU CB C 13 43.60000 0.50000 . 1 . . . . . . . . 6894 1 982 . 1 1 83 83 LEU HB2 H 1 1.54600 0.20000 . 2 . . . . . . . . 6894 1 983 . 1 1 83 83 LEU HB3 H 1 1.19000 0.20000 . 2 . . . . . . . . 6894 1 984 . 1 1 83 83 LEU CG C 13 26.70000 0.50000 . 1 . . . . . . . . 6894 1 985 . 1 1 83 83 LEU HG H 1 1.41300 0.20000 . 1 . . . . . . . . 6894 1 986 . 1 1 83 83 LEU CD1 C 13 25.60000 0.50000 . 1 . . . . . . . . 6894 1 987 . 1 1 83 83 LEU HD11 H 1 0.50400 0.20000 . 2 . . . . . . . . 6894 1 988 . 1 1 83 83 LEU HD12 H 1 0.50400 0.20000 . 2 . . . . . . . . 6894 1 989 . 1 1 83 83 LEU HD13 H 1 0.50400 0.20000 . 2 . . . . . . . . 6894 1 990 . 1 1 83 83 LEU CD2 C 13 25.60000 0.50000 . 1 . . . . . . . . 6894 1 991 . 1 1 83 83 LEU HD21 H 1 0.65100 0.20000 . 2 . . . . . . . . 6894 1 992 . 1 1 83 83 LEU HD22 H 1 0.65100 0.20000 . 2 . . . . . . . . 6894 1 993 . 1 1 83 83 LEU HD23 H 1 0.65100 0.20000 . 2 . . . . . . . . 6894 1 994 . 1 1 84 84 LYS H H 1 9.03600 0.20000 . 1 . . . . . . . . 6894 1 995 . 1 1 84 84 LYS N N 15 126.04000 0.50000 . 1 . . . . . . . . 6894 1 996 . 1 1 84 84 LYS CA C 13 53.90000 0.50000 . 1 . . . . . . . . 6894 1 997 . 1 1 84 84 LYS HA H 1 4.80200 0.20000 . 1 . . . . . . . . 6894 1 998 . 1 1 84 84 LYS C C 13 174.46001 0.50000 . 1 . . . . . . . . 6894 1 999 . 1 1 84 84 LYS CB C 13 36.80000 0.50000 . 1 . . . . . . . . 6894 1 1000 . 1 1 84 84 LYS HB2 H 1 1.77400 0.20000 . 2 . . . . . . . . 6894 1 1001 . 1 1 84 84 LYS HB3 H 1 1.52800 0.20000 . 2 . . . . . . . . 6894 1 1002 . 1 1 84 84 LYS CG C 13 24.20000 0.50000 . 1 . . . . . . . . 6894 1 1003 . 1 1 84 84 LYS HG2 H 1 1.42100 0.20000 . 2 . . . . . . . . 6894 1 1004 . 1 1 84 84 LYS CD C 13 28.50000 0.50000 . 1 . . . . . . . . 6894 1 1005 . 1 1 84 84 LYS HD2 H 1 1.63900 0.20000 . 2 . . . . . . . . 6894 1 1006 . 1 1 84 84 LYS CE C 13 41.40000 0.50000 . 1 . . . . . . . . 6894 1 1007 . 1 1 84 84 LYS HE2 H 1 2.99400 0.20000 . 2 . . . . . . . . 6894 1 1008 . 1 1 85 85 LYS H H 1 9.01600 0.20000 . 1 . . . . . . . . 6894 1 1009 . 1 1 85 85 LYS N N 15 128.12000 0.50000 . 1 . . . . . . . . 6894 1 1010 . 1 1 85 85 LYS CA C 13 57.00000 0.50000 . 1 . . . . . . . . 6894 1 1011 . 1 1 85 85 LYS HA H 1 3.69800 0.20000 . 1 . . . . . . . . 6894 1 1012 . 1 1 85 85 LYS C C 13 177.05000 0.50000 . 1 . . . . . . . . 6894 1 1013 . 1 1 85 85 LYS CB C 13 32.20000 0.50000 . 1 . . . . . . . . 6894 1 1014 . 1 1 85 85 LYS HB2 H 1 1.66700 0.20000 . 2 . . . . . . . . 6894 1 1015 . 1 1 85 85 LYS HB3 H 1 1.45600 0.20000 . 2 . . . . . . . . 6894 1 1016 . 1 1 85 85 LYS CG C 13 25.60000 0.50000 . 1 . . . . . . . . 6894 1 1017 . 1 1 85 85 LYS HG2 H 1 1.18200 0.20000 . 2 . . . . . . . . 6894 1 1018 . 1 1 85 85 LYS HG3 H 1 0.96600 0.20000 . 2 . . . . . . . . 6894 1 1019 . 1 1 85 85 LYS CD C 13 28.90000 0.50000 . 1 . . . . . . . . 6894 1 1020 . 1 1 85 85 LYS HD2 H 1 1.52900 0.20000 . 2 . . . . . . . . 6894 1 1021 . 1 1 85 85 LYS HD3 H 1 1.48300 0.20000 . 2 . . . . . . . . 6894 1 1022 . 1 1 85 85 LYS CE C 13 41.80000 0.50000 . 1 . . . . . . . . 6894 1 1023 . 1 1 85 85 LYS HE2 H 1 2.91800 0.20000 . 2 . . . . . . . . 6894 1 1024 . 1 1 86 86 ARG H H 1 8.58000 0.20000 . 1 . . . . . . . . 6894 1 1025 . 1 1 86 86 ARG N N 15 125.90000 0.50000 . 1 . . . . . . . . 6894 1 1026 . 1 1 86 86 ARG CA C 13 57.00000 0.50000 . 1 . . . . . . . . 6894 1 1027 . 1 1 86 86 ARG HA H 1 4.10700 0.20000 . 1 . . . . . . . . 6894 1 1028 . 1 1 86 86 ARG C C 13 175.75000 0.50000 . 1 . . . . . . . . 6894 1 1029 . 1 1 86 86 ARG CB C 13 30.60000 0.50000 . 1 . . . . . . . . 6894 1 1030 . 1 1 86 86 ARG HB2 H 1 1.74400 0.20000 . 2 . . . . . . . . 6894 1 1031 . 1 1 86 86 ARG HB3 H 1 1.54000 0.20000 . 2 . . . . . . . . 6894 1 1032 . 1 1 86 86 ARG CG C 13 27.50000 0.50000 . 1 . . . . . . . . 6894 1 1033 . 1 1 86 86 ARG HG2 H 1 1.49700 0.20000 . 2 . . . . . . . . 6894 1 1034 . 1 1 86 86 ARG HG3 H 1 1.36800 0.20000 . 2 . . . . . . . . 6894 1 1035 . 1 1 86 86 ARG CD C 13 43.40000 0.50000 . 1 . . . . . . . . 6894 1 1036 . 1 1 86 86 ARG HD2 H 1 3.17100 0.20000 . 2 . . . . . . . . 6894 1 1037 . 1 1 86 86 ARG HE H 1 6.89500 0.20000 . 1 . . . . . . . . 6894 1 1038 . 1 1 87 87 THR H H 1 7.76500 0.20000 . 1 . . . . . . . . 6894 1 1039 . 1 1 87 87 THR N N 15 120.10000 0.50000 . 1 . . . . . . . . 6894 1 1040 . 1 1 87 87 THR CA C 13 62.60000 0.50000 . 1 . . . . . . . . 6894 1 1041 . 1 1 87 87 THR HA H 1 4.12000 0.20000 . 1 . . . . . . . . 6894 1 1042 . 1 1 87 87 THR CB C 13 70.90000 0.50000 . 1 . . . . . . . . 6894 1 1043 . 1 1 87 87 THR HB H 1 4.21500 0.20000 . 1 . . . . . . . . 6894 1 1044 . 1 1 87 87 THR CG2 C 13 21.80000 0.50000 . 1 . . . . . . . . 6894 1 1045 . 1 1 87 87 THR HG21 H 1 1.11700 0.20000 . 1 . . . . . . . . 6894 1 1046 . 1 1 87 87 THR HG22 H 1 1.11700 0.20000 . 1 . . . . . . . . 6894 1 1047 . 1 1 87 87 THR HG23 H 1 1.11700 0.20000 . 1 . . . . . . . . 6894 1 stop_ save_