data_19523 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19523 _Entry.Title ; N-terminal domain of Bilbo1 from Trypanosoma brucei ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-09-24 _Entry.Accession_date 2013-09-24 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Keni Vidilaseris . . . 19523 2 Brooke Morriswood . . . 19523 3 Georg Kontaxis . . . 19523 4 Gang Dong . . . 19523 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19523 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Bilbo1 . 19523 'N-terminal domain' . 19523 'Trypanosoma brucei' . 19523 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19523 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 409 19523 '15N chemical shifts' 107 19523 '1H chemical shifts' 595 19523 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 . . 2014-05-02 2013-09-24 update BMRB 'update entry citation' 19523 1 . . 2014-01-02 2013-09-24 original author 'original release' 19523 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2mek 'BMRB Entry Tracking System' 19523 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19523 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24362019 _Citation.Full_citation . _Citation.Title 'Structure of the TbBILBO1 protein N-terminal domain from Trypanosoma brucei reveals an essential requirement for a conserved surface patch.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 289 _Citation.Journal_issue 6 _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 3724 _Citation.Page_last 3735 _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Keni Vidilaseris . . . 19523 1 2 Brooke Morriswood . . . 19523 1 3 Georg Kontaxis . . . 19523 1 4 Gang Dong . . . 19523 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19523 _Assembly.ID 1 _Assembly.Name 'N-terminal domain of Bilbo1 from Trypanosoma brucei' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'N-terminal domain of Bilbo1' 1 $Bil_NTD A . yes native no no . . . 19523 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Bil_NTD _Entity.Sf_category entity _Entity.Sf_framecode Bil_NTD _Entity.Entry_ID 19523 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Bil_NTD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAFLVQVAADIFNNKVNFEL SFPSRPSISELTRSAETAFS NEISLRRPDNVPSHKFHSSK IKMYDEELNKWVDLIREDQL TDYCQLYVFQPPNEWHKESQ KEIPPAMKPP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12899.675 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MEK . "N-terminal Domain Of Bilbo1 From Trypanosoma Brucei" . . . . . 100.00 110 100.00 100.00 5.33e-74 . . . . 19523 1 2 no EMBL CBH18240 . "hypothetical protein, conserved [Trypanosoma brucei gambiense DAL972]" . . . . . 100.00 587 100.00 100.00 1.08e-73 . . . . 19523 1 3 no GB AAY90076 . "flagellar pocket-related cytoskeletal protein [Trypanosoma brucei]" . . . . . 100.00 587 100.00 100.00 1.08e-73 . . . . 19523 1 4 no GB EAN80165 . "hypothetical protein, conserved [Trypanosoma brucei brucei TREU927]" . . . . . 100.00 587 100.00 100.00 1.08e-73 . . . . 19523 1 5 no REF XP_011780504 . "hypothetical protein, conserved [Trypanosoma brucei gambiense DAL972]" . . . . . 100.00 587 100.00 100.00 1.08e-73 . . . . 19523 1 6 no REF XP_829277 . "hypothetical protein [Trypanosoma brucei brucei TREU927]" . . . . . 100.00 587 100.00 100.00 1.08e-73 . . . . 19523 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 19523 1 2 . ALA . 19523 1 3 . PHE . 19523 1 4 . LEU . 19523 1 5 . VAL . 19523 1 6 . GLN . 19523 1 7 . VAL . 19523 1 8 . ALA . 19523 1 9 . ALA . 19523 1 10 . ASP . 19523 1 11 . ILE . 19523 1 12 . PHE . 19523 1 13 . ASN . 19523 1 14 . ASN . 19523 1 15 . LYS . 19523 1 16 . VAL . 19523 1 17 . ASN . 19523 1 18 . PHE . 19523 1 19 . GLU . 19523 1 20 . LEU . 19523 1 21 . SER . 19523 1 22 . PHE . 19523 1 23 . PRO . 19523 1 24 . SER . 19523 1 25 . ARG . 19523 1 26 . PRO . 19523 1 27 . SER . 19523 1 28 . ILE . 19523 1 29 . SER . 19523 1 30 . GLU . 19523 1 31 . LEU . 19523 1 32 . THR . 19523 1 33 . ARG . 19523 1 34 . SER . 19523 1 35 . ALA . 19523 1 36 . GLU . 19523 1 37 . THR . 19523 1 38 . ALA . 19523 1 39 . PHE . 19523 1 40 . SER . 19523 1 41 . ASN . 19523 1 42 . GLU . 19523 1 43 . ILE . 19523 1 44 . SER . 19523 1 45 . LEU . 19523 1 46 . ARG . 19523 1 47 . ARG . 19523 1 48 . PRO . 19523 1 49 . ASP . 19523 1 50 . ASN . 19523 1 51 . VAL . 19523 1 52 . PRO . 19523 1 53 . SER . 19523 1 54 . HIS . 19523 1 55 . LYS . 19523 1 56 . PHE . 19523 1 57 . HIS . 19523 1 58 . SER . 19523 1 59 . SER . 19523 1 60 . LYS . 19523 1 61 . ILE . 19523 1 62 . LYS . 19523 1 63 . MET . 19523 1 64 . TYR . 19523 1 65 . ASP . 19523 1 66 . GLU . 19523 1 67 . GLU . 19523 1 68 . LEU . 19523 1 69 . ASN . 19523 1 70 . LYS . 19523 1 71 . TRP . 19523 1 72 . VAL . 19523 1 73 . ASP . 19523 1 74 . LEU . 19523 1 75 . ILE . 19523 1 76 . ARG . 19523 1 77 . GLU . 19523 1 78 . ASP . 19523 1 79 . GLN . 19523 1 80 . LEU . 19523 1 81 . THR . 19523 1 82 . ASP . 19523 1 83 . TYR . 19523 1 84 . CYS . 19523 1 85 . GLN . 19523 1 86 . LEU . 19523 1 87 . TYR . 19523 1 88 . VAL . 19523 1 89 . PHE . 19523 1 90 . GLN . 19523 1 91 . PRO . 19523 1 92 . PRO . 19523 1 93 . ASN . 19523 1 94 . GLU . 19523 1 95 . TRP . 19523 1 96 . HIS . 19523 1 97 . LYS . 19523 1 98 . GLU . 19523 1 99 . SER . 19523 1 100 . GLN . 19523 1 101 . LYS . 19523 1 102 . GLU . 19523 1 103 . ILE . 19523 1 104 . PRO . 19523 1 105 . PRO . 19523 1 106 . ALA . 19523 1 107 . MET . 19523 1 108 . LYS . 19523 1 109 . PRO . 19523 1 110 . PRO . 19523 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19523 1 . ALA 2 2 19523 1 . PHE 3 3 19523 1 . LEU 4 4 19523 1 . VAL 5 5 19523 1 . GLN 6 6 19523 1 . VAL 7 7 19523 1 . ALA 8 8 19523 1 . ALA 9 9 19523 1 . ASP 10 10 19523 1 . ILE 11 11 19523 1 . PHE 12 12 19523 1 . ASN 13 13 19523 1 . ASN 14 14 19523 1 . LYS 15 15 19523 1 . VAL 16 16 19523 1 . ASN 17 17 19523 1 . PHE 18 18 19523 1 . GLU 19 19 19523 1 . LEU 20 20 19523 1 . SER 21 21 19523 1 . PHE 22 22 19523 1 . PRO 23 23 19523 1 . SER 24 24 19523 1 . ARG 25 25 19523 1 . PRO 26 26 19523 1 . SER 27 27 19523 1 . ILE 28 28 19523 1 . SER 29 29 19523 1 . GLU 30 30 19523 1 . LEU 31 31 19523 1 . THR 32 32 19523 1 . ARG 33 33 19523 1 . SER 34 34 19523 1 . ALA 35 35 19523 1 . GLU 36 36 19523 1 . THR 37 37 19523 1 . ALA 38 38 19523 1 . PHE 39 39 19523 1 . SER 40 40 19523 1 . ASN 41 41 19523 1 . GLU 42 42 19523 1 . ILE 43 43 19523 1 . SER 44 44 19523 1 . LEU 45 45 19523 1 . ARG 46 46 19523 1 . ARG 47 47 19523 1 . PRO 48 48 19523 1 . ASP 49 49 19523 1 . ASN 50 50 19523 1 . VAL 51 51 19523 1 . PRO 52 52 19523 1 . SER 53 53 19523 1 . HIS 54 54 19523 1 . LYS 55 55 19523 1 . PHE 56 56 19523 1 . HIS 57 57 19523 1 . SER 58 58 19523 1 . SER 59 59 19523 1 . LYS 60 60 19523 1 . ILE 61 61 19523 1 . LYS 62 62 19523 1 . MET 63 63 19523 1 . TYR 64 64 19523 1 . ASP 65 65 19523 1 . GLU 66 66 19523 1 . GLU 67 67 19523 1 . LEU 68 68 19523 1 . ASN 69 69 19523 1 . LYS 70 70 19523 1 . TRP 71 71 19523 1 . VAL 72 72 19523 1 . ASP 73 73 19523 1 . LEU 74 74 19523 1 . ILE 75 75 19523 1 . ARG 76 76 19523 1 . GLU 77 77 19523 1 . ASP 78 78 19523 1 . GLN 79 79 19523 1 . LEU 80 80 19523 1 . THR 81 81 19523 1 . ASP 82 82 19523 1 . TYR 83 83 19523 1 . CYS 84 84 19523 1 . GLN 85 85 19523 1 . LEU 86 86 19523 1 . TYR 87 87 19523 1 . VAL 88 88 19523 1 . PHE 89 89 19523 1 . GLN 90 90 19523 1 . PRO 91 91 19523 1 . PRO 92 92 19523 1 . ASN 93 93 19523 1 . GLU 94 94 19523 1 . TRP 95 95 19523 1 . HIS 96 96 19523 1 . LYS 97 97 19523 1 . GLU 98 98 19523 1 . SER 99 99 19523 1 . GLN 100 100 19523 1 . LYS 101 101 19523 1 . GLU 102 102 19523 1 . ILE 103 103 19523 1 . PRO 104 104 19523 1 . PRO 105 105 19523 1 . ALA 106 106 19523 1 . MET 107 107 19523 1 . LYS 108 108 19523 1 . PRO 109 109 19523 1 . PRO 110 110 19523 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 19523 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Bil_NTD . 5691 organism . 'Trypanosoma brucei' 'Trypanosoma brucei' . . Eukaryota Protista Trypanosoma brucei . . . . . . . . . . . . . . . . . . . . . 19523 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 19523 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Bil_NTD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET15b . . . . . . 19523 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19523 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BILBO1-NTD '[U-100% 13C; U-100% 15N]' . . 1 $Bil_NTD . . 1 . . mM . . . . 19523 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19523 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19523 1 4 D2O [U-2H] . . . . . . 10 . . % . . . . 19523 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19523 1 6 'sodium azide' 'natural abundance' . . . . . . 0.2 . . % . . . . 19523 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19523 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.8 . pH 19523 1 pressure 1 . atm 19523 1 temperature 298 . K 19523 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19523 _Software.ID 1 _Software.Name VNMRJ _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19523 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19523 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19523 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19523 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19523 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19523 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19523 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19523 3 'data analysis' 19523 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19523 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19523 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19523 4 'structure solution' 19523 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19523 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19523 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Direct Drive' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19523 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19523 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian Inova . 800 . . . 19523 1 2 spectrometer_2 Varian 'Direct Drive' . 600 . . . 19523 1 3 spectrometer_3 Varian Inova . 500 . . . 19523 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 19523 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19523 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19523 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19523 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19523 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19523 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19523 1 7 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19523 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19523 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19523 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19523 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19523 1 12 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19523 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19523 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19523 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.773 internal indirect 3.977 . . . . . . . . . 19523 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . . . . . 19523 1 N 15 water protons . . . . ppm 4.773 internal indirect 9.868 . . . . . . . . . 19523 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19523 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 . 19523 1 2 '2D 1H-13C HSQC aliphatic' 1 $sample_1 . 19523 1 3 '2D 1H-13C HSQC aromatic' 1 $sample_1 . 19523 1 4 '3D HNCO' 1 $sample_1 . 19523 1 5 '3D HNCA' 1 $sample_1 . 19523 1 6 '3D HN(CO)CA' 1 $sample_1 . 19523 1 7 '3D HCACO' 1 $sample_1 . 19523 1 8 '3D HNCACB' 1 $sample_1 . 19523 1 9 '3D CBCA(CO)NH' 1 $sample_1 . 19523 1 10 '3D HCCH-TOCSY' 1 $sample_1 . 19523 1 12 '3D 1H-15N TOCSY' 1 $sample_1 . 19523 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.321 . . . . . . A 1 MET HN . 19523 1 2 . 1 1 1 1 MET HA H 1 4.502 . . . . . . A 1 MET HA . 19523 1 3 . 1 1 1 1 MET HB2 H 1 2.013 . . . . . . A 1 MET HB2 . 19523 1 4 . 1 1 1 1 MET HB3 H 1 2.013 . . . . . . A 1 MET HB3 . 19523 1 5 . 1 1 1 1 MET HG2 H 1 2.261 . . . . . . A 1 MET HG2 . 19523 1 6 . 1 1 1 1 MET HG3 H 1 2.261 . . . . . . A 1 MET HG3 . 19523 1 7 . 1 1 1 1 MET HE1 H 1 2.098 . . . . . . A 1 MET HE1 . 19523 1 8 . 1 1 1 1 MET HE2 H 1 2.098 . . . . . . A 1 MET HE2 . 19523 1 9 . 1 1 1 1 MET HE3 H 1 2.098 . . . . . . A 1 MET HE3 . 19523 1 10 . 1 1 1 1 MET C C 13 174.686 . . . . . . A 1 MET C . 19523 1 11 . 1 1 1 1 MET CA C 13 53.728 . . . . . . A 1 MET CA . 19523 1 12 . 1 1 1 1 MET CB C 13 32.523 . . . . . . A 1 MET CB . 19523 1 13 . 1 1 1 1 MET CE C 13 15.861 . . . . . . A 1 MET CE . 19523 1 14 . 1 1 1 1 MET N N 15 121.043 . . . . . . A 1 MET N . 19523 1 15 . 1 1 2 2 ALA H H 1 7.914 . . . . . . A 2 ALA H . 19523 1 16 . 1 1 2 2 ALA HA H 1 4.407 . . . . . . A 2 ALA HA . 19523 1 17 . 1 1 2 2 ALA HB1 H 1 1.304 . . . . . . A 2 ALA HB1 . 19523 1 18 . 1 1 2 2 ALA HB2 H 1 1.304 . . . . . . A 2 ALA HB2 . 19523 1 19 . 1 1 2 2 ALA HB3 H 1 1.304 . . . . . . A 2 ALA HB3 . 19523 1 20 . 1 1 2 2 ALA C C 13 175.678 . . . . . . A 2 ALA C . 19523 1 21 . 1 1 2 2 ALA CA C 13 51.309 . . . . . . A 2 ALA CA . 19523 1 22 . 1 1 2 2 ALA CB C 13 19.171 . . . . . . A 2 ALA CB . 19523 1 23 . 1 1 2 2 ALA N N 15 123.848 . . . . . . A 2 ALA N . 19523 1 24 . 1 1 3 3 PHE H H 1 9.060 . . . . . . A 3 PHE H . 19523 1 25 . 1 1 3 3 PHE HA H 1 4.605 . . . . . . A 3 PHE HA . 19523 1 26 . 1 1 3 3 PHE HB2 H 1 2.602 . . . . . . A 3 PHE HB2 . 19523 1 27 . 1 1 3 3 PHE HB3 H 1 2.602 . . . . . . A 3 PHE HB3 . 19523 1 28 . 1 1 3 3 PHE HE1 H 1 7.482 . . . . . . A 3 PHE HE1 . 19523 1 29 . 1 1 3 3 PHE HE2 H 1 7.482 . . . . . . A 3 PHE HE2 . 19523 1 30 . 1 1 3 3 PHE C C 13 173.742 . . . . . . A 3 PHE C . 19523 1 31 . 1 1 3 3 PHE CA C 13 56.250 . . . . . . A 3 PHE CA . 19523 1 32 . 1 1 3 3 PHE CB C 13 39.930 . . . . . . A 3 PHE CB . 19523 1 33 . 1 1 3 3 PHE N N 15 124.636 . . . . . . A 3 PHE N . 19523 1 34 . 1 1 4 4 LEU H H 1 8.466 . . . . . . A 4 LEU H . 19523 1 35 . 1 1 4 4 LEU HA H 1 5.622 . . . . . . A 4 LEU HA . 19523 1 36 . 1 1 4 4 LEU HB2 H 1 1.247 . . . . . . A 4 LEU HB2 . 19523 1 37 . 1 1 4 4 LEU HB3 H 1 1.632 . . . . . . A 4 LEU HB3 . 19523 1 38 . 1 1 4 4 LEU HG H 1 1.661 . . . . . . A 4 LEU HG . 19523 1 39 . 1 1 4 4 LEU HD11 H 1 0.756 . . . . . . A 4 LEU HD11 . 19523 1 40 . 1 1 4 4 LEU HD12 H 1 0.756 . . . . . . A 4 LEU HD12 . 19523 1 41 . 1 1 4 4 LEU HD13 H 1 0.756 . . . . . . A 4 LEU HD13 . 19523 1 42 . 1 1 4 4 LEU HD21 H 1 0.762 . . . . . . A 4 LEU HD21 . 19523 1 43 . 1 1 4 4 LEU HD22 H 1 0.762 . . . . . . A 4 LEU HD22 . 19523 1 44 . 1 1 4 4 LEU HD23 H 1 0.762 . . . . . . A 4 LEU HD23 . 19523 1 45 . 1 1 4 4 LEU C C 13 176.580 . . . . . . A 4 LEU C . 19523 1 46 . 1 1 4 4 LEU CA C 13 52.724 . . . . . . A 4 LEU CA . 19523 1 47 . 1 1 4 4 LEU CB C 13 44.199 . . . . . . A 4 LEU CB . 19523 1 48 . 1 1 4 4 LEU CG C 13 26.816 . . . . . . A 4 LEU CG . 19523 1 49 . 1 1 4 4 LEU CD1 C 13 24.098 . . . . . . A 4 LEU CD1 . 19523 1 50 . 1 1 4 4 LEU CD2 C 13 23.370 . . . . . . A 4 LEU CD2 . 19523 1 51 . 1 1 4 4 LEU N N 15 130.373 . . . . . . A 4 LEU N . 19523 1 52 . 1 1 5 5 VAL H H 1 8.750 . . . . . . A 5 VAL H . 19523 1 53 . 1 1 5 5 VAL HA H 1 4.508 . . . . . . A 5 VAL HA . 19523 1 54 . 1 1 5 5 VAL HB H 1 2.157 . . . . . . A 5 VAL HB . 19523 1 55 . 1 1 5 5 VAL HG11 H 1 1.152 . . . . . . A 5 VAL HG11 . 19523 1 56 . 1 1 5 5 VAL HG12 H 1 1.152 . . . . . . A 5 VAL HG12 . 19523 1 57 . 1 1 5 5 VAL HG13 H 1 1.152 . . . . . . A 5 VAL HG13 . 19523 1 58 . 1 1 5 5 VAL HG21 H 1 1.074 . . . . . . A 5 VAL HG21 . 19523 1 59 . 1 1 5 5 VAL HG22 H 1 1.074 . . . . . . A 5 VAL HG22 . 19523 1 60 . 1 1 5 5 VAL HG23 H 1 1.074 . . . . . . A 5 VAL HG23 . 19523 1 61 . 1 1 5 5 VAL C C 13 173.306 . . . . . . A 5 VAL C . 19523 1 62 . 1 1 5 5 VAL CA C 13 59.186 . . . . . . A 5 VAL CA . 19523 1 63 . 1 1 5 5 VAL CB C 13 35.148 . . . . . . A 5 VAL CB . 19523 1 64 . 1 1 5 5 VAL CG1 C 13 21.910 . . . . . . A 5 VAL CG1 . 19523 1 65 . 1 1 5 5 VAL CG2 C 13 20.140 . . . . . . A 5 VAL CG2 . 19523 1 66 . 1 1 5 5 VAL N N 15 114.967 . . . . . . A 5 VAL N . 19523 1 67 . 1 1 6 6 GLN H H 1 8.596 . . . . . . A 6 GLN H . 19523 1 68 . 1 1 6 6 GLN HA H 1 5.235 . . . . . . A 6 GLN HA . 19523 1 69 . 1 1 6 6 GLN HE21 H 1 6.398 . . . . . . A 6 GLN HE21 . 19523 1 70 . 1 1 6 6 GLN HE22 H 1 6.472 . . . . . . A 6 GLN HE22 . 19523 1 71 . 1 1 6 6 GLN C C 13 175.328 . . . . . . A 6 GLN C . 19523 1 72 . 1 1 6 6 GLN CA C 13 53.721 . . . . . . A 6 GLN CA . 19523 1 73 . 1 1 6 6 GLN CB C 13 31.301 . . . . . . A 6 GLN CB . 19523 1 74 . 1 1 6 6 GLN N N 15 122.337 . . . . . . A 6 GLN N . 19523 1 75 . 1 1 6 6 GLN NE2 N 15 108.510 . . . . . . A 6 GLN NE2 . 19523 1 76 . 1 1 7 7 VAL H H 1 9.634 . . . . . . A 7 VAL H . 19523 1 77 . 1 1 7 7 VAL HA H 1 4.719 . . . . . . A 7 VAL HA . 19523 1 78 . 1 1 7 7 VAL HB H 1 2.037 . . . . . . A 7 VAL HB . 19523 1 79 . 1 1 7 7 VAL HG11 H 1 1.011 . . . . . . A 7 VAL HG11 . 19523 1 80 . 1 1 7 7 VAL HG12 H 1 1.011 . . . . . . A 7 VAL HG12 . 19523 1 81 . 1 1 7 7 VAL HG13 H 1 1.011 . . . . . . A 7 VAL HG13 . 19523 1 82 . 1 1 7 7 VAL HG21 H 1 1.011 . . . . . . A 7 VAL HG21 . 19523 1 83 . 1 1 7 7 VAL HG22 H 1 1.011 . . . . . . A 7 VAL HG22 . 19523 1 84 . 1 1 7 7 VAL HG23 H 1 1.011 . . . . . . A 7 VAL HG23 . 19523 1 85 . 1 1 7 7 VAL C C 13 172.224 . . . . . . A 7 VAL C . 19523 1 86 . 1 1 7 7 VAL CA C 13 59.154 . . . . . . A 7 VAL CA . 19523 1 87 . 1 1 7 7 VAL CB C 13 33.347 . . . . . . A 7 VAL CB . 19523 1 88 . 1 1 7 7 VAL CG1 C 13 19.937 . . . . . . A 7 VAL CG1 . 19523 1 89 . 1 1 7 7 VAL CG2 C 13 19.937 . . . . . . A 7 VAL CG2 . 19523 1 90 . 1 1 7 7 VAL N N 15 119.805 . . . . . . A 7 VAL N . 19523 1 91 . 1 1 8 8 ALA H H 1 8.323 . . . . . . A 8 ALA H . 19523 1 92 . 1 1 8 8 ALA HA H 1 6.069 . . . . . . A 8 ALA HA . 19523 1 93 . 1 1 8 8 ALA HB1 H 1 1.402 . . . . . . A 8 ALA HB1 . 19523 1 94 . 1 1 8 8 ALA HB2 H 1 1.402 . . . . . . A 8 ALA HB2 . 19523 1 95 . 1 1 8 8 ALA HB3 H 1 1.402 . . . . . . A 8 ALA HB3 . 19523 1 96 . 1 1 8 8 ALA C C 13 174.920 . . . . . . A 8 ALA C . 19523 1 97 . 1 1 8 8 ALA CA C 13 48.242 . . . . . . A 8 ALA CA . 19523 1 98 . 1 1 8 8 ALA CB C 13 22.037 . . . . . . A 8 ALA CB . 19523 1 99 . 1 1 8 8 ALA N N 15 127.863 . . . . . . A 8 ALA N . 19523 1 100 . 1 1 9 9 ALA H H 1 7.931 . . . . . . A 9 ALA H . 19523 1 101 . 1 1 9 9 ALA HA H 1 3.724 . . . . . . A 9 ALA HA . 19523 1 102 . 1 1 9 9 ALA HB1 H 1 0.154 . . . . . . A 9 ALA HB1 . 19523 1 103 . 1 1 9 9 ALA HB2 H 1 0.154 . . . . . . A 9 ALA HB2 . 19523 1 104 . 1 1 9 9 ALA HB3 H 1 0.154 . . . . . . A 9 ALA HB3 . 19523 1 105 . 1 1 9 9 ALA C C 13 175.484 . . . . . . A 9 ALA C . 19523 1 106 . 1 1 9 9 ALA CA C 13 50.127 . . . . . . A 9 ALA CA . 19523 1 107 . 1 1 9 9 ALA CB C 13 20.418 . . . . . . A 9 ALA CB . 19523 1 108 . 1 1 9 9 ALA N N 15 115.648 . . . . . . A 9 ALA N . 19523 1 109 . 1 1 10 10 ASP H H 1 7.800 . . . . . . A 10 ASP H . 19523 1 110 . 1 1 10 10 ASP HA H 1 4.781 . . . . . . A 10 ASP HA . 19523 1 111 . 1 1 10 10 ASP HB2 H 1 2.237 . . . . . . A 10 ASP HB2 . 19523 1 112 . 1 1 10 10 ASP HB3 H 1 2.584 . . . . . . A 10 ASP HB3 . 19523 1 113 . 1 1 10 10 ASP CA C 13 53.559 . . . . . . A 10 ASP CA . 19523 1 114 . 1 1 10 10 ASP CB C 13 42.983 . . . . . . A 10 ASP CB . 19523 1 115 . 1 1 10 10 ASP N N 15 119.695 . . . . . . A 10 ASP N . 19523 1 116 . 1 1 11 11 ILE H H 1 8.601 . . . . . . A 11 ILE H . 19523 1 117 . 1 1 11 11 ILE HA H 1 3.791 . . . . . . A 11 ILE HA . 19523 1 118 . 1 1 11 11 ILE HB H 1 1.993 . . . . . . A 11 ILE HB . 19523 1 119 . 1 1 11 11 ILE HG21 H 1 0.813 . . . . . . A 11 ILE HG21 . 19523 1 120 . 1 1 11 11 ILE HG22 H 1 0.813 . . . . . . A 11 ILE HG22 . 19523 1 121 . 1 1 11 11 ILE HG23 H 1 0.813 . . . . . . A 11 ILE HG23 . 19523 1 122 . 1 1 11 11 ILE HD11 H 1 0.464 . . . . . . A 11 ILE HD1# . 19523 1 123 . 1 1 11 11 ILE HD12 H 1 0.464 . . . . . . A 11 ILE HD1# . 19523 1 124 . 1 1 11 11 ILE HD13 H 1 0.464 . . . . . . A 11 ILE HD1# . 19523 1 125 . 1 1 11 11 ILE CA C 13 65.694 . . . . . . A 11 ILE CA . 19523 1 126 . 1 1 11 11 ILE CB C 13 36.145 . . . . . . A 11 ILE CB . 19523 1 127 . 1 1 11 11 ILE CG2 C 13 16.918 . . . . . . A 11 ILE CG2 . 19523 1 128 . 1 1 11 11 ILE CD1 C 13 8.632 . . . . . . A 11 ILE CD1 . 19523 1 129 . 1 1 11 11 ILE N N 15 119.990 . . . . . . A 11 ILE N . 19523 1 130 . 1 1 12 12 PHE CA C 13 60.254 . . . . . . A 12 PHE CA . 19523 1 131 . 1 1 12 12 PHE CB C 13 40.503 . . . . . . A 12 PHE CB . 19523 1 132 . 1 1 13 13 ASN H H 1 9.637 . . . . . . A 13 ASN H . 19523 1 133 . 1 1 13 13 ASN C C 13 173.971 . . . . . . A 13 ASN C . 19523 1 134 . 1 1 13 13 ASN CA C 13 53.742 . . . . . . A 13 ASN CA . 19523 1 135 . 1 1 13 13 ASN CB C 13 37.740 . . . . . . A 13 ASN CB . 19523 1 136 . 1 1 13 13 ASN N N 15 126.142 . . . . . . A 13 ASN N . 19523 1 137 . 1 1 14 14 ASN H H 1 8.261 . . . . . . A 14 ASN H . 19523 1 138 . 1 1 14 14 ASN HA H 1 5.086 . . . . . . A 14 ASN HA . 19523 1 139 . 1 1 14 14 ASN HB2 H 1 2.657 . . . . . . A 14 ASN HB2 . 19523 1 140 . 1 1 14 14 ASN HB3 H 1 2.657 . . . . . . A 14 ASN HB3 . 19523 1 141 . 1 1 14 14 ASN HD21 H 1 7.004 . . . . . . A 14 ASN HD21 . 19523 1 142 . 1 1 14 14 ASN HD22 H 1 7.764 . . . . . . A 14 ASN HD22 . 19523 1 143 . 1 1 14 14 ASN C C 13 172.907 . . . . . . A 14 ASN C . 19523 1 144 . 1 1 14 14 ASN CA C 13 51.447 . . . . . . A 14 ASN CA . 19523 1 145 . 1 1 14 14 ASN CB C 13 41.145 . . . . . . A 14 ASN CB . 19523 1 146 . 1 1 14 14 ASN N N 15 117.599 . . . . . . A 14 ASN N . 19523 1 147 . 1 1 14 14 ASN ND2 N 15 115.356 . . . . . . A 14 ASN ND2 . 19523 1 148 . 1 1 15 15 LYS H H 1 8.350 . . . . . . A 15 LYS H . 19523 1 149 . 1 1 15 15 LYS HA H 1 4.814 . . . . . . A 15 LYS HA . 19523 1 150 . 1 1 15 15 LYS C C 13 175.216 . . . . . . A 15 LYS C . 19523 1 151 . 1 1 15 15 LYS CA C 13 54.230 . . . . . . A 15 LYS CA . 19523 1 152 . 1 1 15 15 LYS CB C 13 31.751 . . . . . . A 15 LYS CB . 19523 1 153 . 1 1 15 15 LYS N N 15 123.014 . . . . . . A 15 LYS N . 19523 1 154 . 1 1 16 16 VAL H H 1 8.642 . . . . . . A 16 VAL H . 19523 1 155 . 1 1 16 16 VAL HA H 1 4.156 . . . . . . A 16 VAL HA . 19523 1 156 . 1 1 16 16 VAL HB H 1 1.606 . . . . . . A 16 VAL HB . 19523 1 157 . 1 1 16 16 VAL HG11 H 1 0.495 . . . . . . A 16 VAL HG11 . 19523 1 158 . 1 1 16 16 VAL HG12 H 1 0.495 . . . . . . A 16 VAL HG12 . 19523 1 159 . 1 1 16 16 VAL HG13 H 1 0.495 . . . . . . A 16 VAL HG13 . 19523 1 160 . 1 1 16 16 VAL HG21 H 1 0.662 . . . . . . A 16 VAL HG21 . 19523 1 161 . 1 1 16 16 VAL HG22 H 1 0.662 . . . . . . A 16 VAL HG22 . 19523 1 162 . 1 1 16 16 VAL HG23 H 1 0.662 . . . . . . A 16 VAL HG23 . 19523 1 163 . 1 1 16 16 VAL C C 13 173.177 . . . . . . A 16 VAL C . 19523 1 164 . 1 1 16 16 VAL CA C 13 59.373 . . . . . . A 16 VAL CA . 19523 1 165 . 1 1 16 16 VAL CB C 13 33.186 . . . . . . A 16 VAL CB . 19523 1 166 . 1 1 16 16 VAL CG1 C 13 20.356 . . . . . . A 16 VAL CG1 . 19523 1 167 . 1 1 16 16 VAL CG2 C 13 20.052 . . . . . . A 16 VAL CG2 . 19523 1 168 . 1 1 16 16 VAL N N 15 123.989 . . . . . . A 16 VAL N . 19523 1 169 . 1 1 17 17 ASN H H 1 7.617 . . . . . . A 17 ASN H . 19523 1 170 . 1 1 17 17 ASN HA H 1 5.476 . . . . . . A 17 ASN HA . 19523 1 171 . 1 1 17 17 ASN HB2 H 1 2.127 . . . . . . A 17 ASN HB2 . 19523 1 172 . 1 1 17 17 ASN HB3 H 1 2.753 . . . . . . A 17 ASN HB3 . 19523 1 173 . 1 1 17 17 ASN HD21 H 1 6.926 . . . . . . A 17 ASN HD21 . 19523 1 174 . 1 1 17 17 ASN HD22 H 1 7.424 . . . . . . A 17 ASN HD22 . 19523 1 175 . 1 1 17 17 ASN C C 13 174.527 . . . . . . A 17 ASN C . 19523 1 176 . 1 1 17 17 ASN CA C 13 50.363 . . . . . . A 17 ASN CA . 19523 1 177 . 1 1 17 17 ASN CB C 13 40.665 . . . . . . A 17 ASN CB . 19523 1 178 . 1 1 17 17 ASN N N 15 119.870 . . . . . . A 17 ASN N . 19523 1 179 . 1 1 17 17 ASN ND2 N 15 109.077 . . . . . . A 17 ASN ND2 . 19523 1 180 . 1 1 18 18 PHE H H 1 9.547 . . . . . . A 18 PHE H . 19523 1 181 . 1 1 18 18 PHE HA H 1 6.173 . . . . . . A 18 PHE HA . 19523 1 182 . 1 1 18 18 PHE HB2 H 1 2.590 . . . . . . A 18 PHE HB2 . 19523 1 183 . 1 1 18 18 PHE HB3 H 1 2.590 . . . . . . A 18 PHE HB3 . 19523 1 184 . 1 1 18 18 PHE HE1 H 1 7.410 . . . . . . A 18 PHE HE1 . 19523 1 185 . 1 1 18 18 PHE HE2 H 1 7.410 . . . . . . A 18 PHE HE2 . 19523 1 186 . 1 1 18 18 PHE HZ H 1 7.073 . . . . . . A 18 PHE HZ . 19523 1 187 . 1 1 18 18 PHE C C 13 174.816 . . . . . . A 18 PHE C . 19523 1 188 . 1 1 18 18 PHE CA C 13 52.231 . . . . . . A 18 PHE CA . 19523 1 189 . 1 1 18 18 PHE CB C 13 41.159 . . . . . . A 18 PHE CB . 19523 1 190 . 1 1 18 18 PHE CE1 C 13 130.634 . . . . . . A 18 PHE CE1 . 19523 1 191 . 1 1 18 18 PHE CE2 C 13 130.634 . . . . . . A 18 PHE CE2 . 19523 1 192 . 1 1 18 18 PHE CZ C 13 127.989 . . . . . . A 18 PHE CZ . 19523 1 193 . 1 1 18 18 PHE N N 15 126.021 . . . . . . A 18 PHE N . 19523 1 194 . 1 1 19 19 GLU H H 1 8.404 . . . . . . A 19 GLU H . 19523 1 195 . 1 1 19 19 GLU HA H 1 4.649 . . . . . . A 19 GLU HA . 19523 1 196 . 1 1 19 19 GLU C C 13 174.617 . . . . . . A 19 GLU C . 19523 1 197 . 1 1 19 19 GLU CA C 13 53.842 . . . . . . A 19 GLU CA . 19523 1 198 . 1 1 19 19 GLU CB C 13 30.919 . . . . . . A 19 GLU CB . 19523 1 199 . 1 1 19 19 GLU N N 15 121.898 . . . . . . A 19 GLU N . 19523 1 200 . 1 1 20 20 LEU H H 1 9.108 . . . . . . A 20 LEU H . 19523 1 201 . 1 1 20 20 LEU HA H 1 4.573 . . . . . . A 20 LEU HA . 19523 1 202 . 1 1 20 20 LEU HB2 H 1 1.194 . . . . . . A 20 LEU HB2 . 19523 1 203 . 1 1 20 20 LEU HB3 H 1 1.745 . . . . . . A 20 LEU HB3 . 19523 1 204 . 1 1 20 20 LEU HG H 1 0.771 . . . . . . A 20 LEU HG . 19523 1 205 . 1 1 20 20 LEU HD11 H 1 0.568 . . . . . . A 20 LEU HD11 . 19523 1 206 . 1 1 20 20 LEU HD12 H 1 0.568 . . . . . . A 20 LEU HD12 . 19523 1 207 . 1 1 20 20 LEU HD13 H 1 0.568 . . . . . . A 20 LEU HD13 . 19523 1 208 . 1 1 20 20 LEU HD21 H 1 0.568 . . . . . . A 20 LEU HD21 . 19523 1 209 . 1 1 20 20 LEU HD22 H 1 0.568 . . . . . . A 20 LEU HD22 . 19523 1 210 . 1 1 20 20 LEU HD23 H 1 0.568 . . . . . . A 20 LEU HD23 . 19523 1 211 . 1 1 20 20 LEU C C 13 174.463 . . . . . . A 20 LEU C . 19523 1 212 . 1 1 20 20 LEU CA C 13 52.261 . . . . . . A 20 LEU CA . 19523 1 213 . 1 1 20 20 LEU CB C 13 42.543 . . . . . . A 20 LEU CB . 19523 1 214 . 1 1 20 20 LEU CG C 13 24.904 . . . . . . A 20 LEU CG . 19523 1 215 . 1 1 20 20 LEU CD1 C 13 20.704 . . . . . . A 20 LEU CD1 . 19523 1 216 . 1 1 20 20 LEU CD2 C 13 20.704 . . . . . . A 20 LEU CD2 . 19523 1 217 . 1 1 20 20 LEU N N 15 126.961 . . . . . . A 20 LEU N . 19523 1 218 . 1 1 21 21 SER H H 1 7.709 . . . . . . A 21 SER H . 19523 1 219 . 1 1 21 21 SER HA H 1 5.229 . . . . . . A 21 SER HA . 19523 1 220 . 1 1 21 21 SER HB2 H 1 3.503 . . . . . . A 21 SER HB2 . 19523 1 221 . 1 1 21 21 SER HB3 H 1 3.503 . . . . . . A 21 SER HB3 . 19523 1 222 . 1 1 21 21 SER C C 13 173.461 . . . . . . A 21 SER C . 19523 1 223 . 1 1 21 21 SER CA C 13 55.146 . . . . . . A 21 SER CA . 19523 1 224 . 1 1 21 21 SER CB C 13 64.085 . . . . . . A 21 SER CB . 19523 1 225 . 1 1 21 21 SER N N 15 113.881 . . . . . . A 21 SER N . 19523 1 226 . 1 1 22 22 PHE H H 1 9.126 . . . . . . A 22 PHE H . 19523 1 227 . 1 1 22 22 PHE HA H 1 4.996 . . . . . . A 22 PHE HA . 19523 1 228 . 1 1 22 22 PHE HB2 H 1 2.992 . . . . . . A 22 PHE HB2 . 19523 1 229 . 1 1 22 22 PHE HB3 H 1 2.992 . . . . . . A 22 PHE HB3 . 19523 1 230 . 1 1 22 22 PHE HD1 H 1 7.188 . . . . . . A 22 PHE HD1 . 19523 1 231 . 1 1 22 22 PHE HD2 H 1 7.188 . . . . . . A 22 PHE HD2 . 19523 1 232 . 1 1 22 22 PHE HE1 H 1 7.497 . . . . . . A 22 PHE HE1 . 19523 1 233 . 1 1 22 22 PHE HE2 H 1 7.497 . . . . . . A 22 PHE HE2 . 19523 1 234 . 1 1 22 22 PHE HZ H 1 7.154 . . . . . . A 22 PHE HZ . 19523 1 235 . 1 1 22 22 PHE C C 13 173.453 . . . . . . A 22 PHE C . 19523 1 236 . 1 1 22 22 PHE CA C 13 54.169 . . . . . . A 22 PHE CA . 19523 1 237 . 1 1 22 22 PHE CB C 13 40.912 . . . . . . A 22 PHE CB . 19523 1 238 . 1 1 22 22 PHE CD1 C 13 130.990 . . . . . . A 22 PHE CD1 . 19523 1 239 . 1 1 22 22 PHE CD2 C 13 130.990 . . . . . . A 22 PHE CD2 . 19523 1 240 . 1 1 22 22 PHE CE1 C 13 133.184 . . . . . . A 22 PHE CE1 . 19523 1 241 . 1 1 22 22 PHE CE2 C 13 133.184 . . . . . . A 22 PHE CE2 . 19523 1 242 . 1 1 22 22 PHE CZ C 13 128.686 . . . . . . A 22 PHE CZ . 19523 1 243 . 1 1 22 22 PHE N N 15 123.976 . . . . . . A 22 PHE N . 19523 1 244 . 1 1 26 26 PRO C C 13 174.963 . . . . . . A 26 PRO C . 19523 1 245 . 1 1 26 26 PRO CA C 13 61.148 . . . . . . A 26 PRO CA . 19523 1 246 . 1 1 26 26 PRO CB C 13 30.808 . . . . . . A 26 PRO CB . 19523 1 247 . 1 1 27 27 SER H H 1 7.741 . . . . . . A 27 SER H . 19523 1 248 . 1 1 27 27 SER HA H 1 4.506 . . . . . . A 27 SER HA . 19523 1 249 . 1 1 27 27 SER HB2 H 1 3.959 . . . . . . A 27 SER HB2 . 19523 1 250 . 1 1 27 27 SER HB3 H 1 3.959 . . . . . . A 27 SER HB3 . 19523 1 251 . 1 1 27 27 SER C C 13 175.918 . . . . . . A 27 SER C . 19523 1 252 . 1 1 27 27 SER CA C 13 55.568 . . . . . . A 27 SER CA . 19523 1 253 . 1 1 27 27 SER CB C 13 63.920 . . . . . . A 27 SER CB . 19523 1 254 . 1 1 27 27 SER N N 15 110.428 . . . . . . A 27 SER N . 19523 1 255 . 1 1 28 28 ILE H H 1 9.182 . . . . . . A 28 ILE H . 19523 1 256 . 1 1 28 28 ILE HA H 1 3.586 . . . . . . A 28 ILE HA . 19523 1 257 . 1 1 28 28 ILE HB H 1 1.947 . . . . . . A 28 ILE HB . 19523 1 258 . 1 1 28 28 ILE HG12 H 1 1.175 . . . . . . A 28 ILE HG12 . 19523 1 259 . 1 1 28 28 ILE HG13 H 1 1.511 . . . . . . A 28 ILE HG13 . 19523 1 260 . 1 1 28 28 ILE HG21 H 1 0.838 . . . . . . A 28 ILE HG21 . 19523 1 261 . 1 1 28 28 ILE HG22 H 1 0.838 . . . . . . A 28 ILE HG22 . 19523 1 262 . 1 1 28 28 ILE HG23 H 1 0.838 . . . . . . A 28 ILE HG23 . 19523 1 263 . 1 1 28 28 ILE HD11 H 1 0.562 . . . . . . A 28 ILE HD1# . 19523 1 264 . 1 1 28 28 ILE HD12 H 1 0.562 . . . . . . A 28 ILE HD1# . 19523 1 265 . 1 1 28 28 ILE HD13 H 1 0.562 . . . . . . A 28 ILE HD1# . 19523 1 266 . 1 1 28 28 ILE CA C 13 63.659 . . . . . . A 28 ILE CA . 19523 1 267 . 1 1 28 28 ILE CB C 13 34.788 . . . . . . A 28 ILE CB . 19523 1 268 . 1 1 28 28 ILE CG1 C 13 28.136 . . . . . . A 28 ILE CG1 . 19523 1 269 . 1 1 28 28 ILE CG2 C 13 16.043 . . . . . . A 28 ILE CG2 . 19523 1 270 . 1 1 28 28 ILE CD1 C 13 9.328 . . . . . . A 28 ILE CD1 . 19523 1 271 . 1 1 28 28 ILE N N 15 121.549 . . . . . . A 28 ILE N . 19523 1 272 . 1 1 29 29 SER H H 1 7.445 . . . . . . A 29 SER H . 19523 1 273 . 1 1 29 29 SER HA H 1 4.436 . . . . . . A 29 SER HA . 19523 1 274 . 1 1 29 29 SER HB2 H 1 3.801 . . . . . . A 29 SER HB2 . 19523 1 275 . 1 1 29 29 SER HB3 H 1 3.801 . . . . . . A 29 SER HB3 . 19523 1 276 . 1 1 29 29 SER C C 13 176.793 . . . . . . A 29 SER C . 19523 1 277 . 1 1 29 29 SER CA C 13 56.264 . . . . . . A 29 SER CA . 19523 1 278 . 1 1 29 29 SER CB C 13 63.105 . . . . . . A 29 SER CB . 19523 1 279 . 1 1 29 29 SER N N 15 107.809 . . . . . . A 29 SER N . 19523 1 280 . 1 1 30 30 GLU H H 1 7.890 . . . . . . A 30 GLU H . 19523 1 281 . 1 1 30 30 GLU HA H 1 4.080 . . . . . . A 30 GLU HA . 19523 1 282 . 1 1 30 30 GLU HB2 H 1 1.982 . . . . . . A 30 GLU HB2 . 19523 1 283 . 1 1 30 30 GLU HB3 H 1 1.982 . . . . . . A 30 GLU HB3 . 19523 1 284 . 1 1 30 30 GLU HG2 H 1 2.326 . . . . . . A 30 GLU HG2 . 19523 1 285 . 1 1 30 30 GLU HG3 H 1 2.326 . . . . . . A 30 GLU HG3 . 19523 1 286 . 1 1 30 30 GLU C C 13 179.372 . . . . . . A 30 GLU C . 19523 1 287 . 1 1 30 30 GLU CA C 13 57.998 . . . . . . A 30 GLU CA . 19523 1 288 . 1 1 30 30 GLU CB C 13 28.931 . . . . . . A 30 GLU CB . 19523 1 289 . 1 1 30 30 GLU CG C 13 35.085 . . . . . . A 30 GLU CG . 19523 1 290 . 1 1 30 30 GLU N N 15 124.633 . . . . . . A 30 GLU N . 19523 1 291 . 1 1 31 31 LEU H H 1 8.490 . . . . . . A 31 LEU H . 19523 1 292 . 1 1 31 31 LEU HA H 1 4.057 . . . . . . A 31 LEU HA . 19523 1 293 . 1 1 31 31 LEU HB2 H 1 1.184 . . . . . . A 31 LEU HB2 . 19523 1 294 . 1 1 31 31 LEU HB3 H 1 1.900 . . . . . . A 31 LEU HB3 . 19523 1 295 . 1 1 31 31 LEU HG H 1 1.484 . . . . . . A 31 LEU HG . 19523 1 296 . 1 1 31 31 LEU HD11 H 1 0.815 . . . . . . A 31 LEU HD11 . 19523 1 297 . 1 1 31 31 LEU HD12 H 1 0.815 . . . . . . A 31 LEU HD12 . 19523 1 298 . 1 1 31 31 LEU HD13 H 1 0.815 . . . . . . A 31 LEU HD13 . 19523 1 299 . 1 1 31 31 LEU HD21 H 1 0.850 . . . . . . A 31 LEU HD21 . 19523 1 300 . 1 1 31 31 LEU HD22 H 1 0.850 . . . . . . A 31 LEU HD22 . 19523 1 301 . 1 1 31 31 LEU HD23 H 1 0.850 . . . . . . A 31 LEU HD23 . 19523 1 302 . 1 1 31 31 LEU C C 13 177.844 . . . . . . A 31 LEU C . 19523 1 303 . 1 1 31 31 LEU CA C 13 57.285 . . . . . . A 31 LEU CA . 19523 1 304 . 1 1 31 31 LEU CB C 13 41.171 . . . . . . A 31 LEU CB . 19523 1 305 . 1 1 31 31 LEU CG C 13 26.270 . . . . . . A 31 LEU CG . 19523 1 306 . 1 1 31 31 LEU CD1 C 13 25.145 . . . . . . A 31 LEU CD1 . 19523 1 307 . 1 1 31 31 LEU CD2 C 13 23.487 . . . . . . A 31 LEU CD2 . 19523 1 308 . 1 1 31 31 LEU N N 15 122.222 . . . . . . A 31 LEU N . 19523 1 309 . 1 1 32 32 THR H H 1 8.519 . . . . . . A 32 THR H . 19523 1 310 . 1 1 32 32 THR HA H 1 3.620 . . . . . . A 32 THR HA . 19523 1 311 . 1 1 32 32 THR HB H 1 4.320 . . . . . . A 32 THR HB . 19523 1 312 . 1 1 32 32 THR HG21 H 1 1.262 . . . . . . A 32 THR HG21 . 19523 1 313 . 1 1 32 32 THR HG22 H 1 1.262 . . . . . . A 32 THR HG22 . 19523 1 314 . 1 1 32 32 THR HG23 H 1 1.262 . . . . . . A 32 THR HG23 . 19523 1 315 . 1 1 32 32 THR C C 13 175.673 . . . . . . A 32 THR C . 19523 1 316 . 1 1 32 32 THR CA C 13 67.118 . . . . . . A 32 THR CA . 19523 1 317 . 1 1 32 32 THR CB C 13 67.904 . . . . . . A 32 THR CB . 19523 1 318 . 1 1 32 32 THR CG2 C 13 19.762 . . . . . . A 32 THR CG2 . 19523 1 319 . 1 1 32 32 THR N N 15 115.628 . . . . . . A 32 THR N . 19523 1 320 . 1 1 33 33 ARG H H 1 8.052 . . . . . . A 33 ARG H . 19523 1 321 . 1 1 33 33 ARG HA H 1 4.278 . . . . . . A 33 ARG HA . 19523 1 322 . 1 1 33 33 ARG HD2 H 1 3.283 . . . . . . A 33 ARG HD2 . 19523 1 323 . 1 1 33 33 ARG HD3 H 1 3.283 . . . . . . A 33 ARG HD3 . 19523 1 324 . 1 1 33 33 ARG HE H 1 7.192 . . . . . . A 33 ARG HE . 19523 1 325 . 1 1 33 33 ARG C C 13 179.408 . . . . . . A 33 ARG C . 19523 1 326 . 1 1 33 33 ARG CA C 13 58.612 . . . . . . A 33 ARG CA . 19523 1 327 . 1 1 33 33 ARG CB C 13 29.372 . . . . . . A 33 ARG CB . 19523 1 328 . 1 1 33 33 ARG CD C 13 42.173 . . . . . . A 33 ARG CD . 19523 1 329 . 1 1 33 33 ARG N N 15 121.040 . . . . . . A 33 ARG N . 19523 1 330 . 1 1 34 34 SER H H 1 8.112 . . . . . . A 34 SER H . 19523 1 331 . 1 1 34 34 SER HA H 1 4.255 . . . . . . A 34 SER HA . 19523 1 332 . 1 1 34 34 SER CA C 13 61.152 . . . . . . A 34 SER CA . 19523 1 333 . 1 1 34 34 SER CB C 13 62.359 . . . . . . A 34 SER CB . 19523 1 334 . 1 1 34 34 SER N N 15 115.412 . . . . . . A 34 SER N . 19523 1 335 . 1 1 35 35 ALA H H 1 8.728 . . . . . . A 35 ALA H . 19523 1 336 . 1 1 35 35 ALA HA H 1 3.687 . . . . . . A 35 ALA HA . 19523 1 337 . 1 1 35 35 ALA HB1 H 1 1.412 . . . . . . A 35 ALA HB1 . 19523 1 338 . 1 1 35 35 ALA HB2 H 1 1.412 . . . . . . A 35 ALA HB2 . 19523 1 339 . 1 1 35 35 ALA HB3 H 1 1.412 . . . . . . A 35 ALA HB3 . 19523 1 340 . 1 1 35 35 ALA C C 13 177.713 . . . . . . A 35 ALA C . 19523 1 341 . 1 1 35 35 ALA CA C 13 54.325 . . . . . . A 35 ALA CA . 19523 1 342 . 1 1 35 35 ALA CB C 13 16.006 . . . . . . A 35 ALA CB . 19523 1 343 . 1 1 35 35 ALA N N 15 124.071 . . . . . . A 35 ALA N . 19523 1 344 . 1 1 36 36 GLU H H 1 8.981 . . . . . . A 36 GLU H . 19523 1 345 . 1 1 36 36 GLU HA H 1 3.855 . . . . . . A 36 GLU HA . 19523 1 346 . 1 1 36 36 GLU HG2 H 1 3.006 . . . . . . A 36 GLU HG2 . 19523 1 347 . 1 1 36 36 GLU HG3 H 1 2.387 . . . . . . A 36 GLU HG3 . 19523 1 348 . 1 1 36 36 GLU C C 13 180.382 . . . . . . A 36 GLU C . 19523 1 349 . 1 1 36 36 GLU CA C 13 59.651 . . . . . . A 36 GLU CA . 19523 1 350 . 1 1 36 36 GLU CG C 13 36.751 . . . . . . A 36 GLU CG . 19523 1 351 . 1 1 36 36 GLU N N 15 116.036 . . . . . . A 36 GLU N . 19523 1 352 . 1 1 37 37 THR H H 1 8.317 . . . . . . A 37 THR H . 19523 1 353 . 1 1 37 37 THR HA H 1 3.943 . . . . . . A 37 THR HA . 19523 1 354 . 1 1 37 37 THR HB H 1 4.264 . . . . . . A 37 THR HB . 19523 1 355 . 1 1 37 37 THR HG21 H 1 1.201 . . . . . . A 37 THR HG21 . 19523 1 356 . 1 1 37 37 THR HG22 H 1 1.201 . . . . . . A 37 THR HG22 . 19523 1 357 . 1 1 37 37 THR HG23 H 1 1.201 . . . . . . A 37 THR HG23 . 19523 1 358 . 1 1 37 37 THR C C 13 175.199 . . . . . . A 37 THR C . 19523 1 359 . 1 1 37 37 THR CA C 13 66.141 . . . . . . A 37 THR CA . 19523 1 360 . 1 1 37 37 THR CB C 13 67.965 . . . . . . A 37 THR CB . 19523 1 361 . 1 1 37 37 THR CG2 C 13 20.326 . . . . . . A 37 THR CG2 . 19523 1 362 . 1 1 37 37 THR N N 15 118.853 . . . . . . A 37 THR N . 19523 1 363 . 1 1 38 38 ALA H H 1 7.567 . . . . . . A 38 ALA H . 19523 1 364 . 1 1 38 38 ALA HA H 1 3.959 . . . . . . A 38 ALA HA . 19523 1 365 . 1 1 38 38 ALA HB1 H 1 0.884 . . . . . . A 38 ALA HB1 . 19523 1 366 . 1 1 38 38 ALA HB2 H 1 0.884 . . . . . . A 38 ALA HB2 . 19523 1 367 . 1 1 38 38 ALA HB3 H 1 0.884 . . . . . . A 38 ALA HB3 . 19523 1 368 . 1 1 38 38 ALA C C 13 180.402 . . . . . . A 38 ALA C . 19523 1 369 . 1 1 38 38 ALA CA C 13 54.058 . . . . . . A 38 ALA CA . 19523 1 370 . 1 1 38 38 ALA CB C 13 16.346 . . . . . . A 38 ALA CB . 19523 1 371 . 1 1 38 38 ALA N N 15 123.902 . . . . . . A 38 ALA N . 19523 1 372 . 1 1 39 39 PHE H H 1 8.508 . . . . . . A 39 PHE H . 19523 1 373 . 1 1 39 39 PHE HA H 1 4.416 . . . . . . A 39 PHE HA . 19523 1 374 . 1 1 39 39 PHE HB2 H 1 2.414 . . . . . . A 39 PHE HB2 . 19523 1 375 . 1 1 39 39 PHE HB3 H 1 1.799 . . . . . . A 39 PHE HB3 . 19523 1 376 . 1 1 39 39 PHE HD1 H 1 6.185 . . . . . . A 39 PHE HD1 . 19523 1 377 . 1 1 39 39 PHE HD2 H 1 6.185 . . . . . . A 39 PHE HD2 . 19523 1 378 . 1 1 39 39 PHE HE1 H 1 6.837 . . . . . . A 39 PHE HE1 . 19523 1 379 . 1 1 39 39 PHE HE2 H 1 6.837 . . . . . . A 39 PHE HE2 . 19523 1 380 . 1 1 39 39 PHE HZ H 1 6.744 . . . . . . A 39 PHE HZ . 19523 1 381 . 1 1 39 39 PHE C C 13 179.142 . . . . . . A 39 PHE C . 19523 1 382 . 1 1 39 39 PHE CA C 13 59.045 . . . . . . A 39 PHE CA . 19523 1 383 . 1 1 39 39 PHE CB C 13 38.009 . . . . . . A 39 PHE CB . 19523 1 384 . 1 1 39 39 PHE CD1 C 13 130.277 . . . . . . A 39 PHE CD1 . 19523 1 385 . 1 1 39 39 PHE CD2 C 13 130.277 . . . . . . A 39 PHE CD2 . 19523 1 386 . 1 1 39 39 PHE CE1 C 13 130.237 . . . . . . A 39 PHE CE1 . 19523 1 387 . 1 1 39 39 PHE CE2 C 13 130.237 . . . . . . A 39 PHE CE2 . 19523 1 388 . 1 1 39 39 PHE CZ C 13 130.171 . . . . . . A 39 PHE CZ . 19523 1 389 . 1 1 39 39 PHE N N 15 114.925 . . . . . . A 39 PHE N . 19523 1 390 . 1 1 40 40 SER H H 1 8.736 . . . . . . A 40 SER H . 19523 1 391 . 1 1 40 40 SER HA H 1 4.388 . . . . . . A 40 SER HA . 19523 1 392 . 1 1 40 40 SER HB2 H 1 4.012 . . . . . . A 40 SER HB2 . 19523 1 393 . 1 1 40 40 SER HB3 H 1 4.012 . . . . . . A 40 SER HB3 . 19523 1 394 . 1 1 40 40 SER C C 13 176.669 . . . . . . A 40 SER C . 19523 1 395 . 1 1 40 40 SER CA C 13 62.659 . . . . . . A 40 SER CA . 19523 1 396 . 1 1 40 40 SER CB C 13 61.809 . . . . . . A 40 SER CB . 19523 1 397 . 1 1 40 40 SER N N 15 118.703 . . . . . . A 40 SER N . 19523 1 398 . 1 1 41 41 ASN H H 1 8.303 . . . . . . A 41 ASN H . 19523 1 399 . 1 1 41 41 ASN HA H 1 4.511 . . . . . . A 41 ASN HA . 19523 1 400 . 1 1 41 41 ASN HB2 H 1 3.079 . . . . . . A 41 ASN HB2 . 19523 1 401 . 1 1 41 41 ASN HB3 H 1 2.666 . . . . . . A 41 ASN HB3 . 19523 1 402 . 1 1 41 41 ASN HD21 H 1 6.696 . . . . . . A 41 ASN HD21 . 19523 1 403 . 1 1 41 41 ASN HD22 H 1 8.226 . . . . . . A 41 ASN HD22 . 19523 1 404 . 1 1 41 41 ASN C C 13 177.569 . . . . . . A 41 ASN C . 19523 1 405 . 1 1 41 41 ASN CA C 13 54.704 . . . . . . A 41 ASN CA . 19523 1 406 . 1 1 41 41 ASN CB C 13 35.564 . . . . . . A 41 ASN CB . 19523 1 407 . 1 1 41 41 ASN N N 15 124.178 . . . . . . A 41 ASN N . 19523 1 408 . 1 1 41 41 ASN ND2 N 15 113.173 . . . . . . A 41 ASN ND2 . 19523 1 409 . 1 1 42 42 GLU H H 1 8.026 . . . . . . A 42 GLU H . 19523 1 410 . 1 1 42 42 GLU HA H 1 4.500 . . . . . . A 42 GLU HA . 19523 1 411 . 1 1 42 42 GLU CA C 13 58.133 . . . . . . A 42 GLU CA . 19523 1 412 . 1 1 42 42 GLU CB C 13 28.179 . . . . . . A 42 GLU CB . 19523 1 413 . 1 1 42 42 GLU N N 15 124.062 . . . . . . A 42 GLU N . 19523 1 414 . 1 1 43 43 ILE H H 1 8.592 . . . . . . A 43 ILE H . 19523 1 415 . 1 1 43 43 ILE HA H 1 4.314 . . . . . . A 43 ILE HA . 19523 1 416 . 1 1 43 43 ILE HB H 1 1.904 . . . . . . A 43 ILE HB . 19523 1 417 . 1 1 43 43 ILE HG21 H 1 0.536 . . . . . . A 43 ILE HG21 . 19523 1 418 . 1 1 43 43 ILE HG22 H 1 0.536 . . . . . . A 43 ILE HG22 . 19523 1 419 . 1 1 43 43 ILE HG23 H 1 0.536 . . . . . . A 43 ILE HG23 . 19523 1 420 . 1 1 43 43 ILE HD11 H 1 0.747 . . . . . . A 43 ILE HD1# . 19523 1 421 . 1 1 43 43 ILE HD12 H 1 0.747 . . . . . . A 43 ILE HD1# . 19523 1 422 . 1 1 43 43 ILE HD13 H 1 0.747 . . . . . . A 43 ILE HD1# . 19523 1 423 . 1 1 43 43 ILE C C 13 177.564 . . . . . . A 43 ILE C . 19523 1 424 . 1 1 43 43 ILE CA C 13 65.865 . . . . . . A 43 ILE CA . 19523 1 425 . 1 1 43 43 ILE CB C 13 37.377 . . . . . . A 43 ILE CB . 19523 1 426 . 1 1 43 43 ILE CG2 C 13 15.368 . . . . . . A 43 ILE CG2 . 19523 1 427 . 1 1 43 43 ILE CD1 C 13 13.488 . . . . . . A 43 ILE CD1 . 19523 1 428 . 1 1 43 43 ILE N N 15 119.669 . . . . . . A 43 ILE N . 19523 1 429 . 1 1 44 44 SER H H 1 7.747 . . . . . . A 44 SER H . 19523 1 430 . 1 1 44 44 SER HA H 1 4.144 . . . . . . A 44 SER HA . 19523 1 431 . 1 1 44 44 SER HB2 H 1 4.150 . . . . . . A 44 SER HB2 . 19523 1 432 . 1 1 44 44 SER HB3 H 1 4.150 . . . . . . A 44 SER HB3 . 19523 1 433 . 1 1 44 44 SER C C 13 176.824 . . . . . . A 44 SER C . 19523 1 434 . 1 1 44 44 SER CA C 13 60.378 . . . . . . A 44 SER CA . 19523 1 435 . 1 1 44 44 SER CB C 13 60.909 . . . . . . A 44 SER CB . 19523 1 436 . 1 1 44 44 SER N N 15 112.036 . . . . . . A 44 SER N . 19523 1 437 . 1 1 45 45 LEU H H 1 7.751 . . . . . . A 45 LEU H . 19523 1 438 . 1 1 45 45 LEU HA H 1 4.217 . . . . . . A 45 LEU HA . 19523 1 439 . 1 1 45 45 LEU HB2 H 1 1.623 . . . . . . A 45 LEU HB2 . 19523 1 440 . 1 1 45 45 LEU HB3 H 1 1.896 . . . . . . A 45 LEU HB3 . 19523 1 441 . 1 1 45 45 LEU HG H 1 1.707 . . . . . . A 45 LEU HG . 19523 1 442 . 1 1 45 45 LEU HD11 H 1 0.914 . . . . . . A 45 LEU HD11 . 19523 1 443 . 1 1 45 45 LEU HD12 H 1 0.914 . . . . . . A 45 LEU HD12 . 19523 1 444 . 1 1 45 45 LEU HD13 H 1 0.914 . . . . . . A 45 LEU HD13 . 19523 1 445 . 1 1 45 45 LEU HD21 H 1 0.915 . . . . . . A 45 LEU HD21 . 19523 1 446 . 1 1 45 45 LEU HD22 H 1 0.915 . . . . . . A 45 LEU HD22 . 19523 1 447 . 1 1 45 45 LEU HD23 H 1 0.915 . . . . . . A 45 LEU HD23 . 19523 1 448 . 1 1 45 45 LEU C C 13 179.322 . . . . . . A 45 LEU C . 19523 1 449 . 1 1 45 45 LEU CA C 13 56.083 . . . . . . A 45 LEU CA . 19523 1 450 . 1 1 45 45 LEU CB C 13 41.754 . . . . . . A 45 LEU CB . 19523 1 451 . 1 1 45 45 LEU CG C 13 25.716 . . . . . . A 45 LEU CG . 19523 1 452 . 1 1 45 45 LEU CD1 C 13 23.739 . . . . . . A 45 LEU CD1 . 19523 1 453 . 1 1 45 45 LEU CD2 C 13 22.451 . . . . . . A 45 LEU CD2 . 19523 1 454 . 1 1 45 45 LEU N N 15 119.868 . . . . . . A 45 LEU N . 19523 1 455 . 1 1 46 46 ARG H H 1 7.953 . . . . . . A 46 ARG H . 19523 1 456 . 1 1 46 46 ARG HA H 1 4.428 . . . . . . A 46 ARG HA . 19523 1 457 . 1 1 46 46 ARG HB2 H 1 1.962 . . . . . . A 46 ARG HB2 . 19523 1 458 . 1 1 46 46 ARG HB3 H 1 1.962 . . . . . . A 46 ARG HB3 . 19523 1 459 . 1 1 46 46 ARG HG2 H 1 2.002 . . . . . . A 46 ARG HG2 . 19523 1 460 . 1 1 46 46 ARG HG3 H 1 2.002 . . . . . . A 46 ARG HG3 . 19523 1 461 . 1 1 46 46 ARG HD2 H 1 3.107 . . . . . . A 46 ARG HD2 . 19523 1 462 . 1 1 46 46 ARG HD3 H 1 3.107 . . . . . . A 46 ARG HD3 . 19523 1 463 . 1 1 46 46 ARG HE H 1 7.093 . . . . . . A 46 ARG HE . 19523 1 464 . 1 1 46 46 ARG C C 13 176.822 . . . . . . A 46 ARG C . 19523 1 465 . 1 1 46 46 ARG CA C 13 53.391 . . . . . . A 46 ARG CA . 19523 1 466 . 1 1 46 46 ARG CB C 13 30.594 . . . . . . A 46 ARG CB . 19523 1 467 . 1 1 46 46 ARG CG C 13 25.836 . . . . . . A 46 ARG CG . 19523 1 468 . 1 1 46 46 ARG CD C 13 41.383 . . . . . . A 46 ARG CD . 19523 1 469 . 1 1 46 46 ARG N N 15 115.109 . . . . . . A 46 ARG N . 19523 1 470 . 1 1 47 47 ARG H H 1 7.843 . . . . . . A 47 ARG H . 19523 1 471 . 1 1 47 47 ARG HA H 1 3.902 . . . . . . A 47 ARG HA . 19523 1 472 . 1 1 47 47 ARG HB2 H 1 1.889 . . . . . . A 47 ARG HB2 . 19523 1 473 . 1 1 47 47 ARG HB3 H 1 1.889 . . . . . . A 47 ARG HB3 . 19523 1 474 . 1 1 47 47 ARG HE H 1 7.092 . . . . . . A 47 ARG HE . 19523 1 475 . 1 1 47 47 ARG C C 13 173.997 . . . . . . A 47 ARG C . 19523 1 476 . 1 1 47 47 ARG CA C 13 53.940 . . . . . . A 47 ARG CA . 19523 1 477 . 1 1 47 47 ARG CB C 13 29.566 . . . . . . A 47 ARG CB . 19523 1 478 . 1 1 47 47 ARG N N 15 122.194 . . . . . . A 47 ARG N . 19523 1 479 . 1 1 48 48 PRO C C 13 176.662 . . . . . . A 48 PRO C . 19523 1 480 . 1 1 48 48 PRO CA C 13 60.928 . . . . . . A 48 PRO CA . 19523 1 481 . 1 1 48 48 PRO CB C 13 30.997 . . . . . . A 48 PRO CB . 19523 1 482 . 1 1 48 48 PRO N N 15 114.814 . . . . . . A 48 PRO N . 19523 1 483 . 1 1 49 49 ASP H H 1 8.392 . . . . . . A 49 ASP H . 19523 1 484 . 1 1 49 49 ASP HA H 1 4.230 . . . . . . A 49 ASP HA . 19523 1 485 . 1 1 49 49 ASP C C 13 176.693 . . . . . . A 49 ASP C . 19523 1 486 . 1 1 49 49 ASP CA C 13 55.636 . . . . . . A 49 ASP CA . 19523 1 487 . 1 1 49 49 ASP CB C 13 39.963 . . . . . . A 49 ASP CB . 19523 1 488 . 1 1 49 49 ASP N N 15 118.162 . . . . . . A 49 ASP N . 19523 1 489 . 1 1 50 50 ASN H H 1 8.063 . . . . . . A 50 ASN H . 19523 1 490 . 1 1 50 50 ASN HA H 1 4.541 . . . . . . A 50 ASN HA . 19523 1 491 . 1 1 50 50 ASN HB2 H 1 3.080 . . . . . . A 50 ASN HB2 . 19523 1 492 . 1 1 50 50 ASN HB3 H 1 2.711 . . . . . . A 50 ASN HB3 . 19523 1 493 . 1 1 50 50 ASN HD21 H 1 6.743 . . . . . . A 50 ASN HD21 . 19523 1 494 . 1 1 50 50 ASN HD22 H 1 7.599 . . . . . . A 50 ASN HD22 . 19523 1 495 . 1 1 50 50 ASN C C 13 174.429 . . . . . . A 50 ASN C . 19523 1 496 . 1 1 50 50 ASN CA C 13 51.990 . . . . . . A 50 ASN CA . 19523 1 497 . 1 1 50 50 ASN CB C 13 36.092 . . . . . . A 50 ASN CB . 19523 1 498 . 1 1 50 50 ASN N N 15 112.476 . . . . . . A 50 ASN N . 19523 1 499 . 1 1 51 51 VAL H H 1 7.481 . . . . . . A 51 VAL H . 19523 1 500 . 1 1 51 51 VAL HA H 1 4.221 . . . . . . A 51 VAL HA . 19523 1 501 . 1 1 51 51 VAL HB H 1 1.772 . . . . . . A 51 VAL HB . 19523 1 502 . 1 1 51 51 VAL HG11 H 1 0.663 . . . . . . A 51 VAL HG11 . 19523 1 503 . 1 1 51 51 VAL HG12 H 1 0.663 . . . . . . A 51 VAL HG12 . 19523 1 504 . 1 1 51 51 VAL HG13 H 1 0.663 . . . . . . A 51 VAL HG13 . 19523 1 505 . 1 1 51 51 VAL HG21 H 1 0.283 . . . . . . A 51 VAL HG21 . 19523 1 506 . 1 1 51 51 VAL HG22 H 1 0.283 . . . . . . A 51 VAL HG22 . 19523 1 507 . 1 1 51 51 VAL HG23 H 1 0.283 . . . . . . A 51 VAL HG23 . 19523 1 508 . 1 1 51 51 VAL C C 13 172.818 . . . . . . A 51 VAL C . 19523 1 509 . 1 1 51 51 VAL CA C 13 58.169 . . . . . . A 51 VAL CA . 19523 1 510 . 1 1 51 51 VAL CB C 13 32.679 . . . . . . A 51 VAL CB . 19523 1 511 . 1 1 51 51 VAL CG1 C 13 20.528 . . . . . . A 51 VAL CG1 . 19523 1 512 . 1 1 51 51 VAL CG2 C 13 17.855 . . . . . . A 51 VAL CG2 . 19523 1 513 . 1 1 51 51 VAL N N 15 124.117 . . . . . . A 51 VAL N . 19523 1 514 . 1 1 52 52 PRO HA H 1 3.766 . . . . . . A 52 PRO HA . 19523 1 515 . 1 1 52 52 PRO HB2 H 1 1.617 . . . . . . A 52 PRO HB2 . 19523 1 516 . 1 1 52 52 PRO HB3 H 1 1.086 . . . . . . A 52 PRO HB3 . 19523 1 517 . 1 1 52 52 PRO HD2 H 1 3.568 . . . . . . A 52 PRO HD2 . 19523 1 518 . 1 1 52 52 PRO HD3 H 1 3.568 . . . . . . A 52 PRO HD3 . 19523 1 519 . 1 1 52 52 PRO C C 13 176.467 . . . . . . A 52 PRO C . 19523 1 520 . 1 1 52 52 PRO CA C 13 60.048 . . . . . . A 52 PRO CA . 19523 1 521 . 1 1 52 52 PRO CB C 13 29.084 . . . . . . A 52 PRO CB . 19523 1 522 . 1 1 52 52 PRO CD C 13 49.082 . . . . . . A 52 PRO CD . 19523 1 523 . 1 1 52 52 PRO N N 15 114.966 . . . . . . A 52 PRO N . 19523 1 524 . 1 1 53 53 SER H H 1 8.633 . . . . . . A 53 SER H . 19523 1 525 . 1 1 53 53 SER HA H 1 4.766 . . . . . . A 53 SER HA . 19523 1 526 . 1 1 53 53 SER HB2 H 1 4.383 . . . . . . A 53 SER HB2 . 19523 1 527 . 1 1 53 53 SER HB3 H 1 4.383 . . . . . . A 53 SER HB3 . 19523 1 528 . 1 1 53 53 SER C C 13 173.891 . . . . . . A 53 SER C . 19523 1 529 . 1 1 53 53 SER CA C 13 58.770 . . . . . . A 53 SER CA . 19523 1 530 . 1 1 53 53 SER CB C 13 62.327 . . . . . . A 53 SER CB . 19523 1 531 . 1 1 53 53 SER N N 15 116.636 . . . . . . A 53 SER N . 19523 1 532 . 1 1 54 54 HIS H H 1 7.535 . . . . . . A 54 HIS H . 19523 1 533 . 1 1 54 54 HIS HA H 1 4.838 . . . . . . A 54 HIS HA . 19523 1 534 . 1 1 54 54 HIS HB2 H 1 3.360 . . . . . . A 54 HIS HB2 . 19523 1 535 . 1 1 54 54 HIS HB3 H 1 3.360 . . . . . . A 54 HIS HB3 . 19523 1 536 . 1 1 54 54 HIS HD2 H 1 7.157 . . . . . . A 54 HIS HD2 . 19523 1 537 . 1 1 54 54 HIS C C 13 172.328 . . . . . . A 54 HIS C . 19523 1 538 . 1 1 54 54 HIS CA C 13 54.734 . . . . . . A 54 HIS CA . 19523 1 539 . 1 1 54 54 HIS CB C 13 28.633 . . . . . . A 54 HIS CB . 19523 1 540 . 1 1 54 54 HIS CD2 C 13 119.511 . . . . . . A 54 HIS CD2 . 19523 1 541 . 1 1 54 54 HIS N N 15 120.570 . . . . . . A 54 HIS N . 19523 1 542 . 1 1 55 55 LYS H H 1 8.705 . . . . . . A 55 LYS H . 19523 1 543 . 1 1 55 55 LYS HA H 1 4.407 . . . . . . A 55 LYS HA . 19523 1 544 . 1 1 55 55 LYS C C 13 174.168 . . . . . . A 55 LYS C . 19523 1 545 . 1 1 55 55 LYS CA C 13 53.348 . . . . . . A 55 LYS CA . 19523 1 546 . 1 1 55 55 LYS CB C 13 33.649 . . . . . . A 55 LYS CB . 19523 1 547 . 1 1 55 55 LYS N N 15 118.551 . . . . . . A 55 LYS N . 19523 1 548 . 1 1 56 56 PHE H H 1 8.945 . . . . . . A 56 PHE H . 19523 1 549 . 1 1 56 56 PHE HA H 1 4.616 . . . . . . A 56 PHE HA . 19523 1 550 . 1 1 56 56 PHE C C 13 174.223 . . . . . . A 56 PHE C . 19523 1 551 . 1 1 56 56 PHE CA C 13 56.190 . . . . . . A 56 PHE CA . 19523 1 552 . 1 1 56 56 PHE CB C 13 36.387 . . . . . . A 56 PHE CB . 19523 1 553 . 1 1 56 56 PHE N N 15 124.637 . . . . . . A 56 PHE N . 19523 1 554 . 1 1 57 57 HIS H H 1 7.867 . . . . . . A 57 HIS H . 19523 1 555 . 1 1 57 57 HIS HA H 1 4.794 . . . . . . A 57 HIS HA . 19523 1 556 . 1 1 57 57 HIS HB2 H 1 2.989 . . . . . . A 57 HIS HB2 . 19523 1 557 . 1 1 57 57 HIS HB3 H 1 2.769 . . . . . . A 57 HIS HB3 . 19523 1 558 . 1 1 57 57 HIS HD2 H 1 7.008 . . . . . . A 57 HIS HD2 . 19523 1 559 . 1 1 57 57 HIS HE1 H 1 7.772 . . . . . . A 57 HIS HE1 . 19523 1 560 . 1 1 57 57 HIS C C 13 172.694 . . . . . . A 57 HIS C . 19523 1 561 . 1 1 57 57 HIS CA C 13 53.483 . . . . . . A 57 HIS CA . 19523 1 562 . 1 1 57 57 HIS CB C 13 30.798 . . . . . . A 57 HIS CB . 19523 1 563 . 1 1 57 57 HIS CD2 C 13 119.927 . . . . . . A 57 HIS CD2 . 19523 1 564 . 1 1 57 57 HIS CE1 C 13 138.694 . . . . . . A 57 HIS CE1 . 19523 1 565 . 1 1 57 57 HIS N N 15 127.585 . . . . . . A 57 HIS N . 19523 1 566 . 1 1 58 58 SER H H 1 9.345 . . . . . . A 58 SER H . 19523 1 567 . 1 1 58 58 SER HA H 1 4.780 . . . . . . A 58 SER HA . 19523 1 568 . 1 1 58 58 SER HB2 H 1 3.951 . . . . . . A 58 SER HB2 . 19523 1 569 . 1 1 58 58 SER HB3 H 1 3.773 . . . . . . A 58 SER HB3 . 19523 1 570 . 1 1 58 58 SER C C 13 176.131 . . . . . . A 58 SER C . 19523 1 571 . 1 1 58 58 SER CA C 13 57.243 . . . . . . A 58 SER CA . 19523 1 572 . 1 1 58 58 SER CB C 13 63.583 . . . . . . A 58 SER CB . 19523 1 573 . 1 1 58 58 SER N N 15 117.490 . . . . . . A 58 SER N . 19523 1 574 . 1 1 59 59 SER H H 1 9.370 . . . . . . A 59 SER H . 19523 1 575 . 1 1 59 59 SER HA H 1 4.590 . . . . . . A 59 SER HA . 19523 1 576 . 1 1 59 59 SER HB2 H 1 3.395 . . . . . . A 59 SER HB2 . 19523 1 577 . 1 1 59 59 SER HB3 H 1 3.775 . . . . . . A 59 SER HB3 . 19523 1 578 . 1 1 59 59 SER C C 13 174.912 . . . . . . A 59 SER C . 19523 1 579 . 1 1 59 59 SER CA C 13 56.885 . . . . . . A 59 SER CA . 19523 1 580 . 1 1 59 59 SER CB C 13 63.075 . . . . . . A 59 SER CB . 19523 1 581 . 1 1 59 59 SER N N 15 120.126 . . . . . . A 59 SER N . 19523 1 582 . 1 1 60 60 LYS H H 1 7.555 . . . . . . A 60 LYS H . 19523 1 583 . 1 1 60 60 LYS HA H 1 4.555 . . . . . . A 60 LYS HA . 19523 1 584 . 1 1 60 60 LYS C C 13 173.472 . . . . . . A 60 LYS C . 19523 1 585 . 1 1 60 60 LYS CA C 13 55.235 . . . . . . A 60 LYS CA . 19523 1 586 . 1 1 60 60 LYS CB C 13 33.127 . . . . . . A 60 LYS CB . 19523 1 587 . 1 1 60 60 LYS N N 15 120.064 . . . . . . A 60 LYS N . 19523 1 588 . 1 1 61 61 ILE H H 1 8.841 . . . . . . A 61 ILE H . 19523 1 589 . 1 1 61 61 ILE HA H 1 5.296 . . . . . . A 61 ILE HA . 19523 1 590 . 1 1 61 61 ILE HB H 1 1.896 . . . . . . A 61 ILE HB . 19523 1 591 . 1 1 61 61 ILE HG21 H 1 1.091 . . . . . . A 61 ILE HG21 . 19523 1 592 . 1 1 61 61 ILE HG22 H 1 1.091 . . . . . . A 61 ILE HG22 . 19523 1 593 . 1 1 61 61 ILE HG23 H 1 1.091 . . . . . . A 61 ILE HG23 . 19523 1 594 . 1 1 61 61 ILE HD11 H 1 0.892 . . . . . . A 61 ILE HD1# . 19523 1 595 . 1 1 61 61 ILE HD12 H 1 0.892 . . . . . . A 61 ILE HD1# . 19523 1 596 . 1 1 61 61 ILE HD13 H 1 0.892 . . . . . . A 61 ILE HD1# . 19523 1 597 . 1 1 61 61 ILE C C 13 175.756 . . . . . . A 61 ILE C . 19523 1 598 . 1 1 61 61 ILE CA C 13 60.014 . . . . . . A 61 ILE CA . 19523 1 599 . 1 1 61 61 ILE CB C 13 39.800 . . . . . . A 61 ILE CB . 19523 1 600 . 1 1 61 61 ILE CG2 C 13 18.797 . . . . . . A 61 ILE CG2 . 19523 1 601 . 1 1 61 61 ILE CD1 C 13 12.243 . . . . . . A 61 ILE CD1 . 19523 1 602 . 1 1 61 61 ILE N N 15 121.990 . . . . . . A 61 ILE N . 19523 1 603 . 1 1 62 62 LYS H H 1 9.530 . . . . . . A 62 LYS H . 19523 1 604 . 1 1 62 62 LYS HA H 1 5.598 . . . . . . A 62 LYS HA . 19523 1 605 . 1 1 62 62 LYS HB2 H 1 2.021 . . . . . . A 62 LYS HB2 . 19523 1 606 . 1 1 62 62 LYS HB3 H 1 2.021 . . . . . . A 62 LYS HB3 . 19523 1 607 . 1 1 62 62 LYS HD2 H 1 1.664 . . . . . . A 62 LYS HD2 . 19523 1 608 . 1 1 62 62 LYS HD3 H 1 1.664 . . . . . . A 62 LYS HD3 . 19523 1 609 . 1 1 62 62 LYS C C 13 174.282 . . . . . . A 62 LYS C . 19523 1 610 . 1 1 62 62 LYS CA C 13 53.515 . . . . . . A 62 LYS CA . 19523 1 611 . 1 1 62 62 LYS CB C 13 36.751 . . . . . . A 62 LYS CB . 19523 1 612 . 1 1 62 62 LYS CD C 13 28.796 . . . . . . A 62 LYS CD . 19523 1 613 . 1 1 62 62 LYS N N 15 124.817 . . . . . . A 62 LYS N . 19523 1 614 . 1 1 63 63 MET H H 1 10.034 . . . . . . A 63 MET H . 19523 1 615 . 1 1 63 63 MET HA H 1 5.587 . . . . . . A 63 MET HA . 19523 1 616 . 1 1 63 63 MET HB2 H 1 2.235 . . . . . . A 63 MET HB2 . 19523 1 617 . 1 1 63 63 MET HB3 H 1 2.235 . . . . . . A 63 MET HB3 . 19523 1 618 . 1 1 63 63 MET HG2 H 1 2.240 . . . . . . A 63 MET HG2 . 19523 1 619 . 1 1 63 63 MET HG3 H 1 2.240 . . . . . . A 63 MET HG3 . 19523 1 620 . 1 1 63 63 MET HE1 H 1 2.150 . . . . . . A 63 MET HE1 . 19523 1 621 . 1 1 63 63 MET HE2 H 1 2.150 . . . . . . A 63 MET HE2 . 19523 1 622 . 1 1 63 63 MET HE3 H 1 2.150 . . . . . . A 63 MET HE3 . 19523 1 623 . 1 1 63 63 MET C C 13 174.111 . . . . . . A 63 MET C . 19523 1 624 . 1 1 63 63 MET CA C 13 52.843 . . . . . . A 63 MET CA . 19523 1 625 . 1 1 63 63 MET CB C 13 37.451 . . . . . . A 63 MET CB . 19523 1 626 . 1 1 63 63 MET CG C 13 30.749 . . . . . . A 63 MET CG . 19523 1 627 . 1 1 63 63 MET CE C 13 17.512 . . . . . . A 63 MET CE . 19523 1 628 . 1 1 63 63 MET N N 15 121.957 . . . . . . A 63 MET N . 19523 1 629 . 1 1 64 64 TYR H H 1 8.714 . . . . . . A 64 TYR H . 19523 1 630 . 1 1 64 64 TYR HA H 1 3.674 . . . . . . A 64 TYR HA . 19523 1 631 . 1 1 64 64 TYR HB2 H 1 0.720 . . . . . . A 64 TYR HB2 . 19523 1 632 . 1 1 64 64 TYR HB3 H 1 0.720 . . . . . . A 64 TYR HB3 . 19523 1 633 . 1 1 64 64 TYR HD1 H 1 5.616 . . . . . . A 64 TYR HD1 . 19523 1 634 . 1 1 64 64 TYR HD2 H 1 5.616 . . . . . . A 64 TYR HD2 . 19523 1 635 . 1 1 64 64 TYR HE1 H 1 6.388 . . . . . . A 64 TYR HE1 . 19523 1 636 . 1 1 64 64 TYR HE2 H 1 6.388 . . . . . . A 64 TYR HE2 . 19523 1 637 . 1 1 64 64 TYR C C 13 173.302 . . . . . . A 64 TYR C . 19523 1 638 . 1 1 64 64 TYR CA C 13 57.562 . . . . . . A 64 TYR CA . 19523 1 639 . 1 1 64 64 TYR CB C 13 35.197 . . . . . . A 64 TYR CB . 19523 1 640 . 1 1 64 64 TYR CD1 C 13 132.427 . . . . . . A 64 TYR CD1 . 19523 1 641 . 1 1 64 64 TYR CD2 C 13 132.427 . . . . . . A 64 TYR CD2 . 19523 1 642 . 1 1 64 64 TYR CE1 C 13 117.204 . . . . . . A 64 TYR CE1 . 19523 1 643 . 1 1 64 64 TYR CE2 C 13 117.204 . . . . . . A 64 TYR CE2 . 19523 1 644 . 1 1 64 64 TYR N N 15 129.415 . . . . . . A 64 TYR N . 19523 1 645 . 1 1 65 65 ASP H H 1 8.250 . . . . . . A 65 ASP H . 19523 1 646 . 1 1 65 65 ASP HA H 1 4.521 . . . . . . A 65 ASP HA . 19523 1 647 . 1 1 65 65 ASP HB2 H 1 2.205 . . . . . . A 65 ASP HB2 . 19523 1 648 . 1 1 65 65 ASP HB3 H 1 2.205 . . . . . . A 65 ASP HB3 . 19523 1 649 . 1 1 65 65 ASP C C 13 176.009 . . . . . . A 65 ASP C . 19523 1 650 . 1 1 65 65 ASP CA C 13 52.015 . . . . . . A 65 ASP CA . 19523 1 651 . 1 1 65 65 ASP CB C 13 41.323 . . . . . . A 65 ASP CB . 19523 1 652 . 1 1 65 65 ASP N N 15 131.284 . . . . . . A 65 ASP N . 19523 1 653 . 1 1 66 66 GLU H H 1 8.608 . . . . . . A 66 GLU H . 19523 1 654 . 1 1 66 66 GLU HA H 1 3.740 . . . . . . A 66 GLU HA . 19523 1 655 . 1 1 66 66 GLU HB2 H 1 2.164 . . . . . . A 66 GLU HB2 . 19523 1 656 . 1 1 66 66 GLU HB3 H 1 2.164 . . . . . . A 66 GLU HB3 . 19523 1 657 . 1 1 66 66 GLU HG2 H 1 2.352 . . . . . . A 66 GLU HG2 . 19523 1 658 . 1 1 66 66 GLU HG3 H 1 2.352 . . . . . . A 66 GLU HG3 . 19523 1 659 . 1 1 66 66 GLU C C 13 177.495 . . . . . . A 66 GLU C . 19523 1 660 . 1 1 66 66 GLU CA C 13 57.272 . . . . . . A 66 GLU CA . 19523 1 661 . 1 1 66 66 GLU CB C 13 28.770 . . . . . . A 66 GLU CB . 19523 1 662 . 1 1 66 66 GLU CG C 13 35.324 . . . . . . A 66 GLU CG . 19523 1 663 . 1 1 66 66 GLU N N 15 125.474 . . . . . . A 66 GLU N . 19523 1 664 . 1 1 67 67 GLU H H 1 8.264 . . . . . . A 67 GLU H . 19523 1 665 . 1 1 67 67 GLU HA H 1 4.121 . . . . . . A 67 GLU HA . 19523 1 666 . 1 1 67 67 GLU HB2 H 1 2.111 . . . . . . A 67 GLU HB2 . 19523 1 667 . 1 1 67 67 GLU HB3 H 1 2.111 . . . . . . A 67 GLU HB3 . 19523 1 668 . 1 1 67 67 GLU HG2 H 1 2.279 . . . . . . A 67 GLU HG2 . 19523 1 669 . 1 1 67 67 GLU HG3 H 1 2.279 . . . . . . A 67 GLU HG3 . 19523 1 670 . 1 1 67 67 GLU C C 13 178.509 . . . . . . A 67 GLU C . 19523 1 671 . 1 1 67 67 GLU CA C 13 57.122 . . . . . . A 67 GLU CA . 19523 1 672 . 1 1 67 67 GLU CB C 13 28.452 . . . . . . A 67 GLU CB . 19523 1 673 . 1 1 67 67 GLU CG C 13 35.276 . . . . . . A 67 GLU CG . 19523 1 674 . 1 1 67 67 GLU N N 15 119.296 . . . . . . A 67 GLU N . 19523 1 675 . 1 1 68 68 LEU H H 1 7.775 . . . . . . A 68 LEU H . 19523 1 676 . 1 1 68 68 LEU HA H 1 4.174 . . . . . . A 68 LEU HA . 19523 1 677 . 1 1 68 68 LEU HB2 H 1 1.284 . . . . . . A 68 LEU HB2 . 19523 1 678 . 1 1 68 68 LEU HB3 H 1 1.331 . . . . . . A 68 LEU HB3 . 19523 1 679 . 1 1 68 68 LEU HG H 1 1.590 . . . . . . A 68 LEU HG . 19523 1 680 . 1 1 68 68 LEU HD11 H 1 0.810 . . . . . . A 68 LEU HD11 . 19523 1 681 . 1 1 68 68 LEU HD12 H 1 0.810 . . . . . . A 68 LEU HD12 . 19523 1 682 . 1 1 68 68 LEU HD13 H 1 0.810 . . . . . . A 68 LEU HD13 . 19523 1 683 . 1 1 68 68 LEU HD21 H 1 0.773 . . . . . . A 68 LEU HD21 . 19523 1 684 . 1 1 68 68 LEU HD22 H 1 0.773 . . . . . . A 68 LEU HD22 . 19523 1 685 . 1 1 68 68 LEU HD23 H 1 0.773 . . . . . . A 68 LEU HD23 . 19523 1 686 . 1 1 68 68 LEU C C 13 176.938 . . . . . . A 68 LEU C . 19523 1 687 . 1 1 68 68 LEU CA C 13 53.174 . . . . . . A 68 LEU CA . 19523 1 688 . 1 1 68 68 LEU CB C 13 41.976 . . . . . . A 68 LEU CB . 19523 1 689 . 1 1 68 68 LEU CG C 13 25.577 . . . . . . A 68 LEU CG . 19523 1 690 . 1 1 68 68 LEU CD1 C 13 24.524 . . . . . . A 68 LEU CD1 . 19523 1 691 . 1 1 68 68 LEU CD2 C 13 20.852 . . . . . . A 68 LEU CD2 . 19523 1 692 . 1 1 68 68 LEU N N 15 117.038 . . . . . . A 68 LEU N . 19523 1 693 . 1 1 69 69 ASN H H 1 8.171 . . . . . . A 69 ASN H . 19523 1 694 . 1 1 69 69 ASN HA H 1 3.943 . . . . . . A 69 ASN HA . 19523 1 695 . 1 1 69 69 ASN HB2 H 1 2.758 . . . . . . A 69 ASN HB2 . 19523 1 696 . 1 1 69 69 ASN HB3 H 1 3.030 . . . . . . A 69 ASN HB3 . 19523 1 697 . 1 1 69 69 ASN CA C 13 53.100 . . . . . . A 69 ASN CA . 19523 1 698 . 1 1 69 69 ASN CB C 13 35.740 . . . . . . A 69 ASN CB . 19523 1 699 . 1 1 69 69 ASN N N 15 117.375 . . . . . . A 69 ASN N . 19523 1 700 . 1 1 70 70 LYS H H 1 7.009 . . . . . . A 70 LYS H . 19523 1 701 . 1 1 70 70 LYS HA H 1 4.620 . . . . . . A 70 LYS HA . 19523 1 702 . 1 1 70 70 LYS CA C 13 53.634 . . . . . . A 70 LYS CA . 19523 1 703 . 1 1 70 70 LYS CB C 13 35.736 . . . . . . A 70 LYS CB . 19523 1 704 . 1 1 70 70 LYS N N 15 113.681 . . . . . . A 70 LYS N . 19523 1 705 . 1 1 71 71 TRP H H 1 8.783 . . . . . . A 71 TRP H . 19523 1 706 . 1 1 71 71 TRP HA H 1 5.139 . . . . . . A 71 TRP HA . 19523 1 707 . 1 1 71 71 TRP HB2 H 1 3.229 . . . . . . A 71 TRP HB2 . 19523 1 708 . 1 1 71 71 TRP HB3 H 1 3.044 . . . . . . A 71 TRP HB3 . 19523 1 709 . 1 1 71 71 TRP HD1 H 1 7.529 . . . . . . A 71 TRP HD1 . 19523 1 710 . 1 1 71 71 TRP HE1 H 1 10.321 . . . . . . A 71 TRP HE1 . 19523 1 711 . 1 1 71 71 TRP HE3 H 1 7.320 . . . . . . A 71 TRP HE3 . 19523 1 712 . 1 1 71 71 TRP HZ2 H 1 7.286 . . . . . . A 71 TRP HZ2 . 19523 1 713 . 1 1 71 71 TRP HH2 H 1 6.778 . . . . . . A 71 TRP HH2 . 19523 1 714 . 1 1 71 71 TRP C C 13 176.785 . . . . . . A 71 TRP C . 19523 1 715 . 1 1 71 71 TRP CA C 13 55.751 . . . . . . A 71 TRP CA . 19523 1 716 . 1 1 71 71 TRP CB C 13 28.924 . . . . . . A 71 TRP CB . 19523 1 717 . 1 1 71 71 TRP CD1 C 13 128.268 . . . . . . A 71 TRP CD1 . 19523 1 718 . 1 1 71 71 TRP CE3 C 13 119.431 . . . . . . A 71 TRP CE3 . 19523 1 719 . 1 1 71 71 TRP CZ2 C 13 114.980 . . . . . . A 71 TRP CZ2 . 19523 1 720 . 1 1 71 71 TRP CH2 C 13 123.549 . . . . . . A 71 TRP CH2 . 19523 1 721 . 1 1 71 71 TRP N N 15 121.885 . . . . . . A 71 TRP N . 19523 1 722 . 1 1 71 71 TRP NE1 N 15 131.549 . . . . . . A 71 TRP NE1 . 19523 1 723 . 1 1 72 72 VAL H H 1 9.692 . . . . . . A 72 VAL H . 19523 1 724 . 1 1 72 72 VAL HA H 1 4.903 . . . . . . A 72 VAL HA . 19523 1 725 . 1 1 72 72 VAL HB H 1 2.359 . . . . . . A 72 VAL HB . 19523 1 726 . 1 1 72 72 VAL HG11 H 1 0.949 . . . . . . A 72 VAL HG11 . 19523 1 727 . 1 1 72 72 VAL HG12 H 1 0.949 . . . . . . A 72 VAL HG12 . 19523 1 728 . 1 1 72 72 VAL HG13 H 1 0.949 . . . . . . A 72 VAL HG13 . 19523 1 729 . 1 1 72 72 VAL HG21 H 1 0.955 . . . . . . A 72 VAL HG21 . 19523 1 730 . 1 1 72 72 VAL HG22 H 1 0.955 . . . . . . A 72 VAL HG22 . 19523 1 731 . 1 1 72 72 VAL HG23 H 1 0.955 . . . . . . A 72 VAL HG23 . 19523 1 732 . 1 1 72 72 VAL C C 13 175.439 . . . . . . A 72 VAL C . 19523 1 733 . 1 1 72 72 VAL CA C 13 57.816 . . . . . . A 72 VAL CA . 19523 1 734 . 1 1 72 72 VAL CB C 13 34.216 . . . . . . A 72 VAL CB . 19523 1 735 . 1 1 72 72 VAL CG1 C 13 20.369 . . . . . . A 72 VAL CG1 . 19523 1 736 . 1 1 72 72 VAL CG2 C 13 17.725 . . . . . . A 72 VAL CG2 . 19523 1 737 . 1 1 72 72 VAL N N 15 118.730 . . . . . . A 72 VAL N . 19523 1 738 . 1 1 73 73 ASP H H 1 8.848 . . . . . . A 73 ASP H . 19523 1 739 . 1 1 73 73 ASP HA H 1 4.749 . . . . . . A 73 ASP HA . 19523 1 740 . 1 1 73 73 ASP CA C 13 55.429 . . . . . . A 73 ASP CA . 19523 1 741 . 1 1 73 73 ASP CB C 13 39.838 . . . . . . A 73 ASP CB . 19523 1 742 . 1 1 73 73 ASP N N 15 123.194 . . . . . . A 73 ASP N . 19523 1 743 . 1 1 74 74 LEU H H 1 8.676 . . . . . . A 74 LEU H . 19523 1 744 . 1 1 74 74 LEU HA H 1 4.535 . . . . . . A 74 LEU HA . 19523 1 745 . 1 1 74 74 LEU HB2 H 1 2.551 . . . . . . A 74 LEU HB2 . 19523 1 746 . 1 1 74 74 LEU HB3 H 1 2.551 . . . . . . A 74 LEU HB3 . 19523 1 747 . 1 1 74 74 LEU HG H 1 1.502 . . . . . . A 74 LEU HG . 19523 1 748 . 1 1 74 74 LEU HD11 H 1 1.264 . . . . . . A 74 LEU HD11 . 19523 1 749 . 1 1 74 74 LEU HD12 H 1 1.264 . . . . . . A 74 LEU HD12 . 19523 1 750 . 1 1 74 74 LEU HD13 H 1 1.264 . . . . . . A 74 LEU HD13 . 19523 1 751 . 1 1 74 74 LEU HD21 H 1 1.264 . . . . . . A 74 LEU HD21 . 19523 1 752 . 1 1 74 74 LEU HD22 H 1 1.264 . . . . . . A 74 LEU HD22 . 19523 1 753 . 1 1 74 74 LEU HD23 H 1 1.264 . . . . . . A 74 LEU HD23 . 19523 1 754 . 1 1 74 74 LEU C C 13 174.390 . . . . . . A 74 LEU C . 19523 1 755 . 1 1 74 74 LEU CA C 13 53.685 . . . . . . A 74 LEU CA . 19523 1 756 . 1 1 74 74 LEU CB C 13 40.346 . . . . . . A 74 LEU CB . 19523 1 757 . 1 1 74 74 LEU CG C 13 27.665 . . . . . . A 74 LEU CG . 19523 1 758 . 1 1 74 74 LEU CD1 C 13 22.854 . . . . . . A 74 LEU CD1 . 19523 1 759 . 1 1 74 74 LEU CD2 C 13 22.854 . . . . . . A 74 LEU CD2 . 19523 1 760 . 1 1 74 74 LEU N N 15 125.684 . . . . . . A 74 LEU N . 19523 1 761 . 1 1 75 75 ILE H H 1 9.536 . . . . . . A 75 ILE H . 19523 1 762 . 1 1 75 75 ILE HA H 1 4.511 . . . . . . A 75 ILE HA . 19523 1 763 . 1 1 75 75 ILE HB H 1 1.984 . . . . . . A 75 ILE HB . 19523 1 764 . 1 1 75 75 ILE HG12 H 1 1.382 . . . . . . A 75 ILE HG12 . 19523 1 765 . 1 1 75 75 ILE HG13 H 1 1.227 . . . . . . A 75 ILE HG13 . 19523 1 766 . 1 1 75 75 ILE HD11 H 1 0.905 . . . . . . A 75 ILE HD1# . 19523 1 767 . 1 1 75 75 ILE HD12 H 1 0.905 . . . . . . A 75 ILE HD1# . 19523 1 768 . 1 1 75 75 ILE HD13 H 1 0.905 . . . . . . A 75 ILE HD1# . 19523 1 769 . 1 1 75 75 ILE C C 13 175.804 . . . . . . A 75 ILE C . 19523 1 770 . 1 1 75 75 ILE CA C 13 60.045 . . . . . . A 75 ILE CA . 19523 1 771 . 1 1 75 75 ILE CB C 13 39.599 . . . . . . A 75 ILE CB . 19523 1 772 . 1 1 75 75 ILE CG1 C 13 25.440 . . . . . . A 75 ILE CG1 . 19523 1 773 . 1 1 75 75 ILE CD1 C 13 11.868 . . . . . . A 75 ILE CD1 . 19523 1 774 . 1 1 75 75 ILE N N 15 125.355 . . . . . . A 75 ILE N . 19523 1 775 . 1 1 76 76 ARG H H 1 8.727 . . . . . . A 76 ARG H . 19523 1 776 . 1 1 76 76 ARG HA H 1 4.757 . . . . . . A 76 ARG HA . 19523 1 777 . 1 1 76 76 ARG HB2 H 1 1.298 . . . . . . A 76 ARG HB2 . 19523 1 778 . 1 1 76 76 ARG HB3 H 1 1.298 . . . . . . A 76 ARG HB3 . 19523 1 779 . 1 1 76 76 ARG HG2 H 1 0.857 . . . . . . A 76 ARG HG2 . 19523 1 780 . 1 1 76 76 ARG HG3 H 1 0.857 . . . . . . A 76 ARG HG3 . 19523 1 781 . 1 1 76 76 ARG C C 13 176.334 . . . . . . A 76 ARG C . 19523 1 782 . 1 1 76 76 ARG CA C 13 54.003 . . . . . . A 76 ARG CA . 19523 1 783 . 1 1 76 76 ARG CB C 13 33.792 . . . . . . A 76 ARG CB . 19523 1 784 . 1 1 76 76 ARG CG C 13 26.404 . . . . . . A 76 ARG CG . 19523 1 785 . 1 1 76 76 ARG N N 15 120.539 . . . . . . A 76 ARG N . 19523 1 786 . 1 1 77 77 GLU H H 1 9.306 . . . . . . A 77 GLU H . 19523 1 787 . 1 1 77 77 GLU HA H 1 3.829 . . . . . . A 77 GLU HA . 19523 1 788 . 1 1 77 77 GLU HB2 H 1 1.983 . . . . . . A 77 GLU HB2 . 19523 1 789 . 1 1 77 77 GLU HB3 H 1 2.194 . . . . . . A 77 GLU HB3 . 19523 1 790 . 1 1 77 77 GLU C C 13 177.281 . . . . . . A 77 GLU C . 19523 1 791 . 1 1 77 77 GLU CA C 13 58.665 . . . . . . A 77 GLU CA . 19523 1 792 . 1 1 77 77 GLU CB C 13 27.456 . . . . . . A 77 GLU CB . 19523 1 793 . 1 1 77 77 GLU N N 15 122.107 . . . . . . A 77 GLU N . 19523 1 794 . 1 1 78 78 ASP H H 1 8.116 . . . . . . A 78 ASP H . 19523 1 795 . 1 1 78 78 ASP HA H 1 4.787 . . . . . . A 78 ASP HA . 19523 1 796 . 1 1 78 78 ASP HB2 H 1 2.592 . . . . . . A 78 ASP HB2 . 19523 1 797 . 1 1 78 78 ASP HB3 H 1 2.840 . . . . . . A 78 ASP HB3 . 19523 1 798 . 1 1 78 78 ASP C C 13 176.922 . . . . . . A 78 ASP C . 19523 1 799 . 1 1 78 78 ASP CA C 13 53.900 . . . . . . A 78 ASP CA . 19523 1 800 . 1 1 78 78 ASP CB C 13 38.605 . . . . . . A 78 ASP CB . 19523 1 801 . 1 1 78 78 ASP N N 15 115.471 . . . . . . A 78 ASP N . 19523 1 802 . 1 1 79 79 GLN H H 1 7.589 . . . . . . A 79 GLN H . 19523 1 803 . 1 1 79 79 GLN HA H 1 4.107 . . . . . . A 79 GLN HA . 19523 1 804 . 1 1 79 79 GLN HG2 H 1 2.514 . . . . . . A 79 GLN HG2 . 19523 1 805 . 1 1 79 79 GLN HG3 H 1 2.514 . . . . . . A 79 GLN HG3 . 19523 1 806 . 1 1 79 79 GLN HE21 H 1 7.053 . . . . . . A 79 GLN HE21 . 19523 1 807 . 1 1 79 79 GLN HE22 H 1 7.930 . . . . . . A 79 GLN HE22 . 19523 1 808 . 1 1 79 79 GLN C C 13 177.179 . . . . . . A 79 GLN C . 19523 1 809 . 1 1 79 79 GLN CA C 13 56.684 . . . . . . A 79 GLN CA . 19523 1 810 . 1 1 79 79 GLN CB C 13 32.030 . . . . . . A 79 GLN CB . 19523 1 811 . 1 1 79 79 GLN CG C 13 35.854 . . . . . . A 79 GLN CG . 19523 1 812 . 1 1 79 79 GLN N N 15 116.954 . . . . . . A 79 GLN N . 19523 1 813 . 1 1 79 79 GLN NE2 N 15 109.518 . . . . . . A 79 GLN NE2 . 19523 1 814 . 1 1 80 80 LEU H H 1 7.525 . . . . . . A 80 LEU H . 19523 1 815 . 1 1 80 80 LEU HA H 1 4.279 . . . . . . A 80 LEU HA . 19523 1 816 . 1 1 80 80 LEU HD11 H 1 0.925 . . . . . . A 80 LEU HD11 . 19523 1 817 . 1 1 80 80 LEU HD12 H 1 0.925 . . . . . . A 80 LEU HD12 . 19523 1 818 . 1 1 80 80 LEU HD13 H 1 0.925 . . . . . . A 80 LEU HD13 . 19523 1 819 . 1 1 80 80 LEU HD21 H 1 0.925 . . . . . . A 80 LEU HD21 . 19523 1 820 . 1 1 80 80 LEU HD22 H 1 0.925 . . . . . . A 80 LEU HD22 . 19523 1 821 . 1 1 80 80 LEU HD23 H 1 0.925 . . . . . . A 80 LEU HD23 . 19523 1 822 . 1 1 80 80 LEU C C 13 176.537 . . . . . . A 80 LEU C . 19523 1 823 . 1 1 80 80 LEU CA C 13 55.009 . . . . . . A 80 LEU CA . 19523 1 824 . 1 1 80 80 LEU CB C 13 42.590 . . . . . . A 80 LEU CB . 19523 1 825 . 1 1 80 80 LEU CD1 C 13 24.466 . . . . . . A 80 LEU CD1 . 19523 1 826 . 1 1 80 80 LEU CD2 C 13 24.466 . . . . . . A 80 LEU CD2 . 19523 1 827 . 1 1 80 80 LEU N N 15 114.931 . . . . . . A 80 LEU N . 19523 1 828 . 1 1 81 81 THR H H 1 7.243 . . . . . . A 81 THR H . 19523 1 829 . 1 1 81 81 THR HA H 1 4.798 . . . . . . A 81 THR HA . 19523 1 830 . 1 1 81 81 THR HG21 H 1 1.277 . . . . . . A 81 THR HG21 . 19523 1 831 . 1 1 81 81 THR HG22 H 1 1.277 . . . . . . A 81 THR HG22 . 19523 1 832 . 1 1 81 81 THR HG23 H 1 1.277 . . . . . . A 81 THR HG23 . 19523 1 833 . 1 1 81 81 THR C C 13 173.632 . . . . . . A 81 THR C . 19523 1 834 . 1 1 81 81 THR CA C 13 58.893 . . . . . . A 81 THR CA . 19523 1 835 . 1 1 81 81 THR CB C 13 71.124 . . . . . . A 81 THR CB . 19523 1 836 . 1 1 81 81 THR CG2 C 13 20.811 . . . . . . A 81 THR CG2 . 19523 1 837 . 1 1 81 81 THR N N 15 111.532 . . . . . . A 81 THR N . 19523 1 838 . 1 1 82 82 ASP H H 1 8.434 . . . . . . A 82 ASP H . 19523 1 839 . 1 1 82 82 ASP HA H 1 3.659 . . . . . . A 82 ASP HA . 19523 1 840 . 1 1 82 82 ASP HB2 H 1 2.415 . . . . . . A 82 ASP HB2 . 19523 1 841 . 1 1 82 82 ASP HB3 H 1 2.303 . . . . . . A 82 ASP HB3 . 19523 1 842 . 1 1 82 82 ASP C C 13 177.139 . . . . . . A 82 ASP C . 19523 1 843 . 1 1 82 82 ASP CA C 13 55.090 . . . . . . A 82 ASP CA . 19523 1 844 . 1 1 82 82 ASP CB C 13 40.164 . . . . . . A 82 ASP CB . 19523 1 845 . 1 1 82 82 ASP N N 15 121.672 . . . . . . A 82 ASP N . 19523 1 846 . 1 1 83 83 TYR H H 1 9.623 . . . . . . A 83 TYR H . 19523 1 847 . 1 1 83 83 TYR HA H 1 3.536 . . . . . . A 83 TYR HA . 19523 1 848 . 1 1 83 83 TYR HB2 H 1 3.434 . . . . . . A 83 TYR HB2 . 19523 1 849 . 1 1 83 83 TYR HB3 H 1 2.825 . . . . . . A 83 TYR HB3 . 19523 1 850 . 1 1 83 83 TYR HD1 H 1 7.028 . . . . . . A 83 TYR HD1 . 19523 1 851 . 1 1 83 83 TYR HD2 H 1 7.028 . . . . . . A 83 TYR HD2 . 19523 1 852 . 1 1 83 83 TYR HE1 H 1 6.685 . . . . . . A 83 TYR HE1 . 19523 1 853 . 1 1 83 83 TYR HE2 H 1 6.685 . . . . . . A 83 TYR HE2 . 19523 1 854 . 1 1 83 83 TYR C C 13 175.764 . . . . . . A 83 TYR C . 19523 1 855 . 1 1 83 83 TYR CA C 13 59.897 . . . . . . A 83 TYR CA . 19523 1 856 . 1 1 83 83 TYR CB C 13 37.491 . . . . . . A 83 TYR CB . 19523 1 857 . 1 1 83 83 TYR CD1 C 13 132.883 . . . . . . A 83 TYR CD1 . 19523 1 858 . 1 1 83 83 TYR CD2 C 13 132.883 . . . . . . A 83 TYR CD2 . 19523 1 859 . 1 1 83 83 TYR CE1 C 13 117.864 . . . . . . A 83 TYR CE1 . 19523 1 860 . 1 1 83 83 TYR CE2 C 13 117.864 . . . . . . A 83 TYR CE2 . 19523 1 861 . 1 1 83 83 TYR N N 15 125.759 . . . . . . A 83 TYR N . 19523 1 862 . 1 1 84 84 CYS H H 1 8.086 . . . . . . A 84 CYS H . 19523 1 863 . 1 1 84 84 CYS HA H 1 4.572 . . . . . . A 84 CYS HA . 19523 1 864 . 1 1 84 84 CYS HB2 H 1 3.580 . . . . . . A 84 CYS HB2 . 19523 1 865 . 1 1 84 84 CYS HB3 H 1 3.133 . . . . . . A 84 CYS HB3 . 19523 1 866 . 1 1 84 84 CYS C C 13 170.458 . . . . . . A 84 CYS C . 19523 1 867 . 1 1 84 84 CYS CA C 13 56.588 . . . . . . A 84 CYS CA . 19523 1 868 . 1 1 84 84 CYS CB C 13 27.649 . . . . . . A 84 CYS CB . 19523 1 869 . 1 1 84 84 CYS N N 15 116.406 . . . . . . A 84 CYS N . 19523 1 870 . 1 1 85 85 GLN H H 1 9.336 . . . . . . A 85 GLN H . 19523 1 871 . 1 1 85 85 GLN HA H 1 4.958 . . . . . . A 85 GLN HA . 19523 1 872 . 1 1 85 85 GLN HB2 H 1 1.974 . . . . . . A 85 GLN HB2 . 19523 1 873 . 1 1 85 85 GLN HB3 H 1 1.974 . . . . . . A 85 GLN HB3 . 19523 1 874 . 1 1 85 85 GLN HG2 H 1 2.333 . . . . . . A 85 GLN HG2 . 19523 1 875 . 1 1 85 85 GLN HG3 H 1 2.333 . . . . . . A 85 GLN HG3 . 19523 1 876 . 1 1 85 85 GLN CA C 13 53.660 . . . . . . A 85 GLN CA . 19523 1 877 . 1 1 85 85 GLN CB C 13 28.920 . . . . . . A 85 GLN CB . 19523 1 878 . 1 1 85 85 GLN CG C 13 35.437 . . . . . . A 85 GLN CG . 19523 1 879 . 1 1 85 85 GLN N N 15 119.803 . . . . . . A 85 GLN N . 19523 1 880 . 1 1 86 86 LEU H H 1 9.550 . . . . . . A 86 LEU H . 19523 1 881 . 1 1 86 86 LEU HA H 1 6.136 . . . . . . A 86 LEU HA . 19523 1 882 . 1 1 86 86 LEU HB2 H 1 2.243 . . . . . . A 86 LEU HB2 . 19523 1 883 . 1 1 86 86 LEU HB3 H 1 2.243 . . . . . . A 86 LEU HB3 . 19523 1 884 . 1 1 86 86 LEU HG H 1 0.944 . . . . . . A 86 LEU HG . 19523 1 885 . 1 1 86 86 LEU HD11 H 1 1.059 . . . . . . A 86 LEU HD11 . 19523 1 886 . 1 1 86 86 LEU HD12 H 1 1.059 . . . . . . A 86 LEU HD12 . 19523 1 887 . 1 1 86 86 LEU HD13 H 1 1.059 . . . . . . A 86 LEU HD13 . 19523 1 888 . 1 1 86 86 LEU HD21 H 1 1.059 . . . . . . A 86 LEU HD21 . 19523 1 889 . 1 1 86 86 LEU HD22 H 1 1.059 . . . . . . A 86 LEU HD22 . 19523 1 890 . 1 1 86 86 LEU HD23 H 1 1.059 . . . . . . A 86 LEU HD23 . 19523 1 891 . 1 1 86 86 LEU CA C 13 51.761 . . . . . . A 86 LEU CA . 19523 1 892 . 1 1 86 86 LEU CB C 13 43.592 . . . . . . A 86 LEU CB . 19523 1 893 . 1 1 86 86 LEU CG C 13 26.410 . . . . . . A 86 LEU CG . 19523 1 894 . 1 1 86 86 LEU CD1 C 13 23.243 . . . . . . A 86 LEU CD1 . 19523 1 895 . 1 1 86 86 LEU CD2 C 13 23.243 . . . . . . A 86 LEU CD2 . 19523 1 896 . 1 1 86 86 LEU N N 15 126.206 . . . . . . A 86 LEU N . 19523 1 897 . 1 1 87 87 TYR H H 1 9.704 . . . . . . A 87 TYR H . 19523 1 898 . 1 1 87 87 TYR HA H 1 5.193 . . . . . . A 87 TYR HA . 19523 1 899 . 1 1 87 87 TYR HB2 H 1 2.010 . . . . . . A 87 TYR HB2 . 19523 1 900 . 1 1 87 87 TYR HB3 H 1 2.010 . . . . . . A 87 TYR HB3 . 19523 1 901 . 1 1 87 87 TYR HD1 H 1 6.113 . . . . . . A 87 TYR HD1 . 19523 1 902 . 1 1 87 87 TYR HD2 H 1 6.113 . . . . . . A 87 TYR HD2 . 19523 1 903 . 1 1 87 87 TYR HE1 H 1 5.711 . . . . . . A 87 TYR HE1 . 19523 1 904 . 1 1 87 87 TYR HE2 H 1 5.711 . . . . . . A 87 TYR HE2 . 19523 1 905 . 1 1 87 87 TYR HH H 1 8.700 . . . . . . A 87 TYR HH . 19523 1 906 . 1 1 87 87 TYR C C 13 173.274 . . . . . . A 87 TYR C . 19523 1 907 . 1 1 87 87 TYR CA C 13 56.408 . . . . . . A 87 TYR CA . 19523 1 908 . 1 1 87 87 TYR CB C 13 41.175 . . . . . . A 87 TYR CB . 19523 1 909 . 1 1 87 87 TYR CD1 C 13 133.107 . . . . . . A 87 TYR CD1 . 19523 1 910 . 1 1 87 87 TYR CD2 C 13 133.107 . . . . . . A 87 TYR CD2 . 19523 1 911 . 1 1 87 87 TYR CE1 C 13 117.063 . . . . . . A 87 TYR CE1 . 19523 1 912 . 1 1 87 87 TYR CE2 C 13 117.063 . . . . . . A 87 TYR CE2 . 19523 1 913 . 1 1 87 87 TYR N N 15 124.878 . . . . . . A 87 TYR N . 19523 1 914 . 1 1 88 88 VAL H H 1 8.197 . . . . . . A 88 VAL H . 19523 1 915 . 1 1 88 88 VAL HA H 1 4.738 . . . . . . A 88 VAL HA . 19523 1 916 . 1 1 88 88 VAL HB H 1 1.934 . . . . . . A 88 VAL HB . 19523 1 917 . 1 1 88 88 VAL HG11 H 1 1.077 . . . . . . A 88 VAL HG11 . 19523 1 918 . 1 1 88 88 VAL HG12 H 1 1.077 . . . . . . A 88 VAL HG12 . 19523 1 919 . 1 1 88 88 VAL HG13 H 1 1.077 . . . . . . A 88 VAL HG13 . 19523 1 920 . 1 1 88 88 VAL HG21 H 1 1.305 . . . . . . A 88 VAL HG21 . 19523 1 921 . 1 1 88 88 VAL HG22 H 1 1.305 . . . . . . A 88 VAL HG22 . 19523 1 922 . 1 1 88 88 VAL HG23 H 1 1.305 . . . . . . A 88 VAL HG23 . 19523 1 923 . 1 1 88 88 VAL C C 13 173.695 . . . . . . A 88 VAL C . 19523 1 924 . 1 1 88 88 VAL CA C 13 60.442 . . . . . . A 88 VAL CA . 19523 1 925 . 1 1 88 88 VAL CB C 13 31.882 . . . . . . A 88 VAL CB . 19523 1 926 . 1 1 88 88 VAL CG1 C 13 20.379 . . . . . . A 88 VAL CG1 . 19523 1 927 . 1 1 88 88 VAL CG2 C 13 21.728 . . . . . . A 88 VAL CG2 . 19523 1 928 . 1 1 88 88 VAL N N 15 128.251 . . . . . . A 88 VAL N . 19523 1 929 . 1 1 89 89 PHE H H 1 8.857 . . . . . . A 89 PHE H . 19523 1 930 . 1 1 89 89 PHE HA H 1 4.568 . . . . . . A 89 PHE HA . 19523 1 931 . 1 1 89 89 PHE HB2 H 1 3.029 . . . . . . A 89 PHE HB2 . 19523 1 932 . 1 1 89 89 PHE HB3 H 1 3.029 . . . . . . A 89 PHE HB3 . 19523 1 933 . 1 1 89 89 PHE HD1 H 1 7.093 . . . . . . A 89 PHE HD1 . 19523 1 934 . 1 1 89 89 PHE HD2 H 1 7.093 . . . . . . A 89 PHE HD2 . 19523 1 935 . 1 1 89 89 PHE HE1 H 1 7.392 . . . . . . A 89 PHE HE1 . 19523 1 936 . 1 1 89 89 PHE HE2 H 1 7.392 . . . . . . A 89 PHE HE2 . 19523 1 937 . 1 1 89 89 PHE HZ H 1 6.844 . . . . . . A 89 PHE HZ . 19523 1 938 . 1 1 89 89 PHE C C 13 175.594 . . . . . . A 89 PHE C . 19523 1 939 . 1 1 89 89 PHE CA C 13 57.083 . . . . . . A 89 PHE CA . 19523 1 940 . 1 1 89 89 PHE CB C 13 40.211 . . . . . . A 89 PHE CB . 19523 1 941 . 1 1 89 89 PHE CD1 C 13 131.166 . . . . . . A 89 PHE CD1 . 19523 1 942 . 1 1 89 89 PHE CD2 C 13 131.166 . . . . . . A 89 PHE CD2 . 19523 1 943 . 1 1 89 89 PHE CE1 C 13 132.538 . . . . . . A 89 PHE CE1 . 19523 1 944 . 1 1 89 89 PHE CE2 C 13 132.538 . . . . . . A 89 PHE CE2 . 19523 1 945 . 1 1 89 89 PHE N N 15 125.336 . . . . . . A 89 PHE N . 19523 1 946 . 1 1 90 90 GLN H H 1 8.521 . . . . . . A 90 GLN H . 19523 1 947 . 1 1 90 90 GLN HA H 1 5.341 . . . . . . A 90 GLN HA . 19523 1 948 . 1 1 90 90 GLN CA C 13 53.230 . . . . . . A 90 GLN CA . 19523 1 949 . 1 1 90 90 GLN CB C 13 31.523 . . . . . . A 90 GLN CB . 19523 1 950 . 1 1 90 90 GLN N N 15 118.285 . . . . . . A 90 GLN N . 19523 1 951 . 1 1 91 91 PRO HA H 1 4.140 . . . . . . A 91 PRO HA . 19523 1 952 . 1 1 91 91 PRO HB2 H 1 1.837 . . . . . . A 91 PRO HB2 . 19523 1 953 . 1 1 91 91 PRO HB3 H 1 1.837 . . . . . . A 91 PRO HB3 . 19523 1 954 . 1 1 91 91 PRO HG2 H 1 2.134 . . . . . . A 91 PRO HG2 . 19523 1 955 . 1 1 91 91 PRO HG3 H 1 2.134 . . . . . . A 91 PRO HG3 . 19523 1 956 . 1 1 91 91 PRO HD2 H 1 3.204 . . . . . . A 91 PRO HD2 . 19523 1 957 . 1 1 91 91 PRO HD3 H 1 3.204 . . . . . . A 91 PRO HD3 . 19523 1 958 . 1 1 91 91 PRO CA C 13 63.355 . . . . . . A 91 PRO CA . 19523 1 959 . 1 1 91 91 PRO CB C 13 30.623 . . . . . . A 91 PRO CB . 19523 1 960 . 1 1 91 91 PRO CG C 13 25.630 . . . . . . A 91 PRO CG . 19523 1 961 . 1 1 91 91 PRO CD C 13 49.084 . . . . . . A 91 PRO CD . 19523 1 962 . 1 1 91 91 PRO N N 15 115.026 . . . . . . A 91 PRO N . 19523 1 963 . 1 1 92 92 PRO C C 13 175.790 . . . . . . A 92 PRO C . 19523 1 964 . 1 1 92 92 PRO CA C 13 62.085 . . . . . . A 92 PRO CA . 19523 1 965 . 1 1 93 93 ASN H H 1 7.895 . . . . . . A 93 ASN H . 19523 1 966 . 1 1 93 93 ASN HA H 1 4.086 . . . . . . A 93 ASN HA . 19523 1 967 . 1 1 93 93 ASN HB2 H 1 1.301 . . . . . . A 93 ASN HB2 . 19523 1 968 . 1 1 93 93 ASN HB3 H 1 1.301 . . . . . . A 93 ASN HB3 . 19523 1 969 . 1 1 93 93 ASN CA C 13 52.760 . . . . . . A 93 ASN CA . 19523 1 970 . 1 1 93 93 ASN N N 15 129.941 . . . . . . A 93 ASN N . 19523 1 971 . 1 1 94 94 GLU H H 1 8.154 . . . . . . A 94 GLU H . 19523 1 972 . 1 1 94 94 GLU HA H 1 4.768 . . . . . . A 94 GLU HA . 19523 1 973 . 1 1 94 94 GLU C C 13 176.472 . . . . . . A 94 GLU C . 19523 1 974 . 1 1 94 94 GLU CA C 13 56.442 . . . . . . A 94 GLU CA . 19523 1 975 . 1 1 94 94 GLU N N 15 116.822 . . . . . . A 94 GLU N . 19523 1 976 . 1 1 95 95 TRP H H 1 7.443 . . . . . . A 95 TRP H . 19523 1 977 . 1 1 95 95 TRP HA H 1 4.710 . . . . . . A 95 TRP HA . 19523 1 978 . 1 1 95 95 TRP HB2 H 1 2.848 . . . . . . A 95 TRP HB2 . 19523 1 979 . 1 1 95 95 TRP HB3 H 1 2.172 . . . . . . A 95 TRP HB3 . 19523 1 980 . 1 1 95 95 TRP HD1 H 1 6.978 . . . . . . A 95 TRP HD1 . 19523 1 981 . 1 1 95 95 TRP HE1 H 1 10.164 . . . . . . A 95 TRP HE1 . 19523 1 982 . 1 1 95 95 TRP HE3 H 1 7.124 . . . . . . A 95 TRP HE3 . 19523 1 983 . 1 1 95 95 TRP HZ2 H 1 7.369 . . . . . . A 95 TRP HZ2 . 19523 1 984 . 1 1 95 95 TRP HH2 H 1 6.795 . . . . . . A 95 TRP HH2 . 19523 1 985 . 1 1 95 95 TRP C C 13 178.553 . . . . . . A 95 TRP C . 19523 1 986 . 1 1 95 95 TRP CA C 13 57.790 . . . . . . A 95 TRP CA . 19523 1 987 . 1 1 95 95 TRP CB C 13 29.392 . . . . . . A 95 TRP CB . 19523 1 988 . 1 1 95 95 TRP CD1 C 13 126.230 . . . . . . A 95 TRP CD1 . 19523 1 989 . 1 1 95 95 TRP CE3 C 13 124.254 . . . . . . A 95 TRP CE3 . 19523 1 990 . 1 1 95 95 TRP CZ2 C 13 114.415 . . . . . . A 95 TRP CZ2 . 19523 1 991 . 1 1 95 95 TRP CH2 C 13 121.448 . . . . . . A 95 TRP CH2 . 19523 1 992 . 1 1 95 95 TRP N N 15 117.276 . . . . . . A 95 TRP N . 19523 1 993 . 1 1 95 95 TRP NE1 N 15 129.400 . . . . . . A 95 TRP NE1 . 19523 1 994 . 1 1 96 96 HIS H H 1 8.578 . . . . . . A 96 HIS H . 19523 1 995 . 1 1 96 96 HIS HA H 1 4.963 . . . . . . A 96 HIS HA . 19523 1 996 . 1 1 96 96 HIS HD2 H 1 6.686 . . . . . . A 96 HIS HD2 . 19523 1 997 . 1 1 96 96 HIS HE1 H 1 7.136 . . . . . . A 96 HIS HE1 . 19523 1 998 . 1 1 96 96 HIS C C 13 175.287 . . . . . . A 96 HIS C . 19523 1 999 . 1 1 96 96 HIS CA C 13 53.688 . . . . . . A 96 HIS CA . 19523 1 1000 . 1 1 96 96 HIS CB C 13 31.404 . . . . . . A 96 HIS CB . 19523 1 1001 . 1 1 96 96 HIS CD2 C 13 128.767 . . . . . . A 96 HIS CD2 . 19523 1 1002 . 1 1 96 96 HIS CE1 C 13 132.819 . . . . . . A 96 HIS CE1 . 19523 1 1003 . 1 1 96 96 HIS N N 15 119.616 . . . . . . A 96 HIS N . 19523 1 1004 . 1 1 97 97 LYS H H 1 8.663 . . . . . . A 97 LYS H . 19523 1 1005 . 1 1 97 97 LYS HA H 1 4.530 . . . . . . A 97 LYS HA . 19523 1 1006 . 1 1 97 97 LYS HB2 H 1 1.740 . . . . . . A 97 LYS HB2 . 19523 1 1007 . 1 1 97 97 LYS HB3 H 1 1.740 . . . . . . A 97 LYS HB3 . 19523 1 1008 . 1 1 97 97 LYS C C 13 175.296 . . . . . . A 97 LYS C . 19523 1 1009 . 1 1 97 97 LYS CA C 13 54.256 . . . . . . A 97 LYS CA . 19523 1 1010 . 1 1 97 97 LYS CB C 13 33.260 . . . . . . A 97 LYS CB . 19523 1 1011 . 1 1 97 97 LYS N N 15 124.949 . . . . . . A 97 LYS N . 19523 1 1012 . 1 1 98 98 GLU H H 1 8.612 . . . . . . A 98 GLU H . 19523 1 1013 . 1 1 98 98 GLU HA H 1 4.773 . . . . . . A 98 GLU HA . 19523 1 1014 . 1 1 98 98 GLU HB2 H 1 2.263 . . . . . . A 98 GLU HB2 . 19523 1 1015 . 1 1 98 98 GLU HB3 H 1 2.263 . . . . . . A 98 GLU HB3 . 19523 1 1016 . 1 1 98 98 GLU C C 13 176.262 . . . . . . A 98 GLU C . 19523 1 1017 . 1 1 98 98 GLU CA C 13 55.303 . . . . . . A 98 GLU CA . 19523 1 1018 . 1 1 98 98 GLU CB C 13 29.037 . . . . . . A 98 GLU CB . 19523 1 1019 . 1 1 98 98 GLU N N 15 122.717 . . . . . . A 98 GLU N . 19523 1 1020 . 1 1 99 99 SER H H 1 8.238 . . . . . . A 99 SER H . 19523 1 1021 . 1 1 99 99 SER HA H 1 4.826 . . . . . . A 99 SER HA . 19523 1 1022 . 1 1 99 99 SER HB2 H 1 3.831 . . . . . . A 99 SER HB2 . 19523 1 1023 . 1 1 99 99 SER HB3 H 1 4.029 . . . . . . A 99 SER HB3 . 19523 1 1024 . 1 1 99 99 SER CA C 13 56.283 . . . . . . A 99 SER CA . 19523 1 1025 . 1 1 99 99 SER CB C 13 66.005 . . . . . . A 99 SER CB . 19523 1 1026 . 1 1 99 99 SER N N 15 120.989 . . . . . . A 99 SER N . 19523 1 1027 . 1 1 100 100 GLN H H 1 8.239 . . . . . . A 100 GLN H . 19523 1 1028 . 1 1 100 100 GLN HA H 1 4.781 . . . . . . A 100 GLN HA . 19523 1 1029 . 1 1 100 100 GLN C C 13 175.603 . . . . . . A 100 GLN C . 19523 1 1030 . 1 1 100 100 GLN CA C 13 54.576 . . . . . . A 100 GLN CA . 19523 1 1031 . 1 1 100 100 GLN N N 15 123.467 . . . . . . A 100 GLN N . 19523 1 1032 . 1 1 101 101 LYS H H 1 7.339 . . . . . . A 101 LYS H . 19523 1 1033 . 1 1 101 101 LYS HA H 1 4.780 . . . . . . A 101 LYS HA . 19523 1 1034 . 1 1 101 101 LYS C C 13 176.011 . . . . . . A 101 LYS C . 19523 1 1035 . 1 1 101 101 LYS CA C 13 56.113 . . . . . . A 101 LYS CA . 19523 1 1036 . 1 1 101 101 LYS CB C 13 33.508 . . . . . . A 101 LYS CB . 19523 1 1037 . 1 1 101 101 LYS N N 15 119.556 . . . . . . A 101 LYS N . 19523 1 1038 . 1 1 102 102 GLU H H 1 8.506 . . . . . . A 102 GLU H . 19523 1 1039 . 1 1 102 102 GLU HA H 1 4.044 . . . . . . A 102 GLU HA . 19523 1 1040 . 1 1 102 102 GLU HB2 H 1 1.868 . . . . . . A 102 GLU HB2 . 19523 1 1041 . 1 1 102 102 GLU HB3 H 1 1.868 . . . . . . A 102 GLU HB3 . 19523 1 1042 . 1 1 102 102 GLU HG2 H 1 2.237 . . . . . . A 102 GLU HG2 . 19523 1 1043 . 1 1 102 102 GLU HG3 H 1 2.237 . . . . . . A 102 GLU HG3 . 19523 1 1044 . 1 1 102 102 GLU C C 13 176.058 . . . . . . A 102 GLU C . 19523 1 1045 . 1 1 102 102 GLU CA C 13 55.167 . . . . . . A 102 GLU CA . 19523 1 1046 . 1 1 102 102 GLU CB C 13 28.974 . . . . . . A 102 GLU CB . 19523 1 1047 . 1 1 102 102 GLU CG C 13 35.047 . . . . . . A 102 GLU CG . 19523 1 1048 . 1 1 102 102 GLU N N 15 120.280 . . . . . . A 102 GLU N . 19523 1 1049 . 1 1 103 103 ILE H H 1 8.547 . . . . . . A 103 ILE H . 19523 1 1050 . 1 1 103 103 ILE HA H 1 3.927 . . . . . . A 103 ILE HA . 19523 1 1051 . 1 1 103 103 ILE HB H 1 1.691 . . . . . . A 103 ILE HB . 19523 1 1052 . 1 1 103 103 ILE HG12 H 1 0.657 . . . . . . A 103 ILE HG12 . 19523 1 1053 . 1 1 103 103 ILE HG13 H 1 0.657 . . . . . . A 103 ILE HG13 . 19523 1 1054 . 1 1 103 103 ILE HG21 H 1 0.855 . . . . . . A 103 ILE HG21 . 19523 1 1055 . 1 1 103 103 ILE HG22 H 1 0.855 . . . . . . A 103 ILE HG22 . 19523 1 1056 . 1 1 103 103 ILE HG23 H 1 0.855 . . . . . . A 103 ILE HG23 . 19523 1 1057 . 1 1 103 103 ILE HD11 H 1 0.956 . . . . . . A 103 ILE HD1# . 19523 1 1058 . 1 1 103 103 ILE HD12 H 1 0.956 . . . . . . A 103 ILE HD1# . 19523 1 1059 . 1 1 103 103 ILE HD13 H 1 0.956 . . . . . . A 103 ILE HD1# . 19523 1 1060 . 1 1 103 103 ILE C C 13 174.491 . . . . . . A 103 ILE C . 19523 1 1061 . 1 1 103 103 ILE CA C 13 58.695 . . . . . . A 103 ILE CA . 19523 1 1062 . 1 1 103 103 ILE CB C 13 37.060 . . . . . . A 103 ILE CB . 19523 1 1063 . 1 1 103 103 ILE CG1 C 13 28.610 . . . . . . A 103 ILE CG1 . 19523 1 1064 . 1 1 103 103 ILE CG2 C 13 16.612 . . . . . . A 103 ILE CG2 . 19523 1 1065 . 1 1 103 103 ILE CD1 C 13 11.984 . . . . . . A 103 ILE CD1 . 19523 1 1066 . 1 1 103 103 ILE N N 15 124.001 . . . . . . A 103 ILE N . 19523 1 1067 . 1 1 105 105 PRO HA H 1 4.368 . . . . . . A 105 PRO HA . 19523 1 1068 . 1 1 105 105 PRO C C 13 176.720 . . . . . . A 105 PRO C . 19523 1 1069 . 1 1 105 105 PRO CA C 13 61.702 . . . . . . A 105 PRO CA . 19523 1 1070 . 1 1 105 105 PRO CB C 13 30.859 . . . . . . A 105 PRO CB . 19523 1 1071 . 1 1 106 106 ALA H H 1 8.529 . . . . . . A 106 ALA H . 19523 1 1072 . 1 1 106 106 ALA HA H 1 4.047 . . . . . . A 106 ALA HA . 19523 1 1073 . 1 1 106 106 ALA HB1 H 1 1.386 . . . . . . A 106 ALA HB1 . 19523 1 1074 . 1 1 106 106 ALA HB2 H 1 1.386 . . . . . . A 106 ALA HB2 . 19523 1 1075 . 1 1 106 106 ALA HB3 H 1 1.386 . . . . . . A 106 ALA HB3 . 19523 1 1076 . 1 1 106 106 ALA C C 13 177.824 . . . . . . A 106 ALA C . 19523 1 1077 . 1 1 106 106 ALA CA C 13 51.771 . . . . . . A 106 ALA CA . 19523 1 1078 . 1 1 106 106 ALA CB C 13 17.804 . . . . . . A 106 ALA CB . 19523 1 1079 . 1 1 106 106 ALA N N 15 125.340 . . . . . . A 106 ALA N . 19523 1 1080 . 1 1 107 107 MET H H 1 8.513 . . . . . . A 107 MET H . 19523 1 1081 . 1 1 107 107 MET HA H 1 4.975 . . . . . . A 107 MET HA . 19523 1 1082 . 1 1 107 107 MET HB2 H 1 2.391 . . . . . . A 107 MET HB2 . 19523 1 1083 . 1 1 107 107 MET HB3 H 1 2.391 . . . . . . A 107 MET HB3 . 19523 1 1084 . 1 1 107 107 MET HG2 H 1 2.758 . . . . . . A 107 MET HG2 . 19523 1 1085 . 1 1 107 107 MET HG3 H 1 2.758 . . . . . . A 107 MET HG3 . 19523 1 1086 . 1 1 107 107 MET HE1 H 1 2.195 . . . . . . A 107 MET HE1 . 19523 1 1087 . 1 1 107 107 MET HE2 H 1 2.195 . . . . . . A 107 MET HE2 . 19523 1 1088 . 1 1 107 107 MET HE3 H 1 2.195 . . . . . . A 107 MET HE3 . 19523 1 1089 . 1 1 107 107 MET C C 13 175.822 . . . . . . A 107 MET C . 19523 1 1090 . 1 1 107 107 MET CA C 13 52.194 . . . . . . A 107 MET CA . 19523 1 1091 . 1 1 107 107 MET CB C 13 35.703 . . . . . . A 107 MET CB . 19523 1 1092 . 1 1 107 107 MET CG C 13 30.140 . . . . . . A 107 MET CG . 19523 1 1093 . 1 1 107 107 MET CE C 13 16.038 . . . . . . A 107 MET CE . 19523 1 1094 . 1 1 107 107 MET N N 15 119.863 . . . . . . A 107 MET N . 19523 1 1095 . 1 1 108 108 LYS H H 1 8.741 . . . . . . A 108 LYS H . 19523 1 1096 . 1 1 108 108 LYS HA H 1 4.658 . . . . . . A 108 LYS HA . 19523 1 1097 . 1 1 108 108 LYS HB2 H 1 1.817 . . . . . . A 108 LYS HB2 . 19523 1 1098 . 1 1 108 108 LYS HB3 H 1 1.817 . . . . . . A 108 LYS HB3 . 19523 1 1099 . 1 1 108 108 LYS HG2 H 1 1.568 . . . . . . A 108 LYS HG2 . 19523 1 1100 . 1 1 108 108 LYS HG3 H 1 1.568 . . . . . . A 108 LYS HG3 . 19523 1 1101 . 1 1 108 108 LYS HD2 H 1 1.685 . . . . . . A 108 LYS HD2 . 19523 1 1102 . 1 1 108 108 LYS HD3 H 1 1.685 . . . . . . A 108 LYS HD3 . 19523 1 1103 . 1 1 108 108 LYS HE2 H 1 3.016 . . . . . . A 108 LYS HE2 . 19523 1 1104 . 1 1 108 108 LYS HE3 H 1 3.016 . . . . . . A 108 LYS HE3 . 19523 1 1105 . 1 1 108 108 LYS C C 13 174.241 . . . . . . A 108 LYS C . 19523 1 1106 . 1 1 108 108 LYS CA C 13 54.057 . . . . . . A 108 LYS CA . 19523 1 1107 . 1 1 108 108 LYS CB C 13 30.358 . . . . . . A 108 LYS CB . 19523 1 1108 . 1 1 108 108 LYS CG C 13 23.871 . . . . . . A 108 LYS CG . 19523 1 1109 . 1 1 108 108 LYS CD C 13 27.870 . . . . . . A 108 LYS CD . 19523 1 1110 . 1 1 108 108 LYS CE C 13 41.099 . . . . . . A 108 LYS CE . 19523 1 1111 . 1 1 108 108 LYS N N 15 123.688 . . . . . . A 108 LYS N . 19523 1 stop_ save_