data_18607 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18607 _Entry.Title ; Solution structure of an avirulence protein AvrPzi-t from pathogen Magnaportheoryzae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-07-23 _Entry.Accession_date 2012-07-23 _Entry.Last_release_date 2013-02-14 _Entry.Original_release_date 2013-02-14 _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 Zhi-min Zhang . . . 18607 2 Xu Zhang . . . 18607 3 Ziren Zhou . . . 18607 4 Hong-yu Hu . . . 18607 5 Miali Liu . . . 18607 6 Bo Zhou . . . 18607 7 Jiahai Zhou . . . 18607 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' . 18607 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'avirulence protein' . 18607 AvrPiz-t . 18607 'plant resistance gene' . 18607 'protein degradation' . 18607 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18607 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 302 18607 '15N chemical shifts' 85 18607 '1H chemical shifts' 497 18607 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-02-14 2012-07-23 original author . 18607 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LW6 'BMRB Entry Tracking System' 18607 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18607 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23334361 _Citation.Full_citation . _Citation.Title 'Solution structure of the Magnaporthe oryzae avirulence protein AvrPiz-t.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 55 _Citation.Journal_issue 2 _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 219 _Citation.Page_last 223 _Citation.Year 2013 _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 Zhi-Min Zhang . . . 18607 1 2 Xu Zhang . . . 18607 1 3 Zi-Ren Zhou . . . 18607 1 4 Hong-Yu Hu . . . 18607 1 5 Maili Liu . . . 18607 1 6 Bo Zhou . . . 18607 1 7 Jiahai Zhou . . . 18607 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18607 _Assembly.ID 1 _Assembly.Name Avrpiz-t _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 Avrpiz-t 1 $Avrpiz-t A . yes native no no . . . 18607 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Avrpiz-t _Entity.Sf_category entity _Entity.Sf_framecode Avrpiz-t _Entity.Entry_ID 18607 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Avrpiz-t _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 ; SFVQCNHHLLYNGRHWGTIR KKAGWAVRFYEEKPGQPKRL VAICKNASPVHCNYLKCTNL AAGFSAGTSTDVLSSGTVGS ; _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 80 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8751.062 _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 2LW6 . "Solution Structure Of An Avirulence Protein Avrpiz-t From Pathogen Magnaportheoryzae" . . . . . 100.00 80 100.00 100.00 8.76e-52 . . . . 18607 1 2 no EMBL CCC41985 . "AvrPiz-t [Magnaporthe oryzae]" . . . . . 100.00 108 100.00 100.00 4.01e-52 . . . . 18607 1 3 no EMBL CCD21890 . "AvrPiz-t protein [Magnaporthe oryzae]" . . . . . 100.00 108 100.00 100.00 4.01e-52 . . . . 18607 1 4 no EMBL CCD21891 . "AvrPiz-t protein [Magnaporthe oryzae]" . . . . . 100.00 108 100.00 100.00 4.01e-52 . . . . 18607 1 5 no EMBL CCD21894 . "AvrPiz-t protein [Magnaporthe oryzae]" . . . . . 100.00 108 100.00 100.00 4.01e-52 . . . . 18607 1 6 no EMBL CCD21896 . "AvrPiz-t protein [Magnaporthe oryzae]" . . . . . 100.00 108 100.00 100.00 4.01e-52 . . . . 18607 1 7 no GB ACF39937 . "AvrPiz-t [Magnaporthe grisea]" . . . . . 100.00 108 100.00 100.00 4.01e-52 . . . . 18607 1 8 no GB AEX97148 . "AvrPiz-t protein [Magnaporthe oryzae]" . . . . . 100.00 108 100.00 100.00 4.01e-52 . . . . 18607 1 9 no GB EAQ70816 . "hypothetical protein MGCH7_ch7g223 [Magnaporthe oryzae 70-15]" . . . . . 100.00 108 100.00 100.00 4.01e-52 . . . . 18607 1 10 no GB EHA46544 . "hypothetical protein MGG_18041 [Magnaporthe oryzae 70-15]" . . . . . 100.00 108 100.00 100.00 4.01e-52 . . . . 18607 1 11 no GB ELQ40553 . "hypothetical protein OOU_Y34scaffold00420g8 [Magnaporthe oryzae Y34]" . . . . . 100.00 108 100.00 100.00 4.01e-52 . . . . 18607 1 12 no REF XP_003721287 . "hypothetical protein MGG_18041 [Magnaporthe oryzae 70-15]" . . . . . 100.00 108 100.00 100.00 4.01e-52 . . . . 18607 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 19 SER . 18607 1 2 20 PHE . 18607 1 3 21 VAL . 18607 1 4 22 GLN . 18607 1 5 23 CYS . 18607 1 6 24 ASN . 18607 1 7 25 HIS . 18607 1 8 26 HIS . 18607 1 9 27 LEU . 18607 1 10 28 LEU . 18607 1 11 29 TYR . 18607 1 12 30 ASN . 18607 1 13 31 GLY . 18607 1 14 32 ARG . 18607 1 15 33 HIS . 18607 1 16 34 TRP . 18607 1 17 35 GLY . 18607 1 18 36 THR . 18607 1 19 37 ILE . 18607 1 20 38 ARG . 18607 1 21 39 LYS . 18607 1 22 40 LYS . 18607 1 23 41 ALA . 18607 1 24 42 GLY . 18607 1 25 43 TRP . 18607 1 26 44 ALA . 18607 1 27 45 VAL . 18607 1 28 46 ARG . 18607 1 29 47 PHE . 18607 1 30 48 TYR . 18607 1 31 49 GLU . 18607 1 32 50 GLU . 18607 1 33 51 LYS . 18607 1 34 52 PRO . 18607 1 35 53 GLY . 18607 1 36 54 GLN . 18607 1 37 55 PRO . 18607 1 38 56 LYS . 18607 1 39 57 ARG . 18607 1 40 58 LEU . 18607 1 41 59 VAL . 18607 1 42 60 ALA . 18607 1 43 61 ILE . 18607 1 44 62 CYS . 18607 1 45 63 LYS . 18607 1 46 64 ASN . 18607 1 47 65 ALA . 18607 1 48 66 SER . 18607 1 49 67 PRO . 18607 1 50 68 VAL . 18607 1 51 69 HIS . 18607 1 52 70 CYS . 18607 1 53 71 ASN . 18607 1 54 72 TYR . 18607 1 55 73 LEU . 18607 1 56 74 LYS . 18607 1 57 75 CYS . 18607 1 58 76 THR . 18607 1 59 77 ASN . 18607 1 60 78 LEU . 18607 1 61 79 ALA . 18607 1 62 80 ALA . 18607 1 63 81 GLY . 18607 1 64 82 PHE . 18607 1 65 83 SER . 18607 1 66 84 ALA . 18607 1 67 85 GLY . 18607 1 68 86 THR . 18607 1 69 87 SER . 18607 1 70 88 THR . 18607 1 71 89 ASP . 18607 1 72 90 VAL . 18607 1 73 91 LEU . 18607 1 74 92 SER . 18607 1 75 93 SER . 18607 1 76 94 GLY . 18607 1 77 95 THR . 18607 1 78 96 VAL . 18607 1 79 97 GLY . 18607 1 80 98 SER . 18607 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 . SER 1 1 18607 1 . PHE 2 2 18607 1 . VAL 3 3 18607 1 . GLN 4 4 18607 1 . CYS 5 5 18607 1 . ASN 6 6 18607 1 . HIS 7 7 18607 1 . HIS 8 8 18607 1 . LEU 9 9 18607 1 . LEU 10 10 18607 1 . TYR 11 11 18607 1 . ASN 12 12 18607 1 . GLY 13 13 18607 1 . ARG 14 14 18607 1 . HIS 15 15 18607 1 . TRP 16 16 18607 1 . GLY 17 17 18607 1 . THR 18 18 18607 1 . ILE 19 19 18607 1 . ARG 20 20 18607 1 . LYS 21 21 18607 1 . LYS 22 22 18607 1 . ALA 23 23 18607 1 . GLY 24 24 18607 1 . TRP 25 25 18607 1 . ALA 26 26 18607 1 . VAL 27 27 18607 1 . ARG 28 28 18607 1 . PHE 29 29 18607 1 . TYR 30 30 18607 1 . GLU 31 31 18607 1 . GLU 32 32 18607 1 . LYS 33 33 18607 1 . PRO 34 34 18607 1 . GLY 35 35 18607 1 . GLN 36 36 18607 1 . PRO 37 37 18607 1 . LYS 38 38 18607 1 . ARG 39 39 18607 1 . LEU 40 40 18607 1 . VAL 41 41 18607 1 . ALA 42 42 18607 1 . ILE 43 43 18607 1 . CYS 44 44 18607 1 . LYS 45 45 18607 1 . ASN 46 46 18607 1 . ALA 47 47 18607 1 . SER 48 48 18607 1 . PRO 49 49 18607 1 . VAL 50 50 18607 1 . HIS 51 51 18607 1 . CYS 52 52 18607 1 . ASN 53 53 18607 1 . TYR 54 54 18607 1 . LEU 55 55 18607 1 . LYS 56 56 18607 1 . CYS 57 57 18607 1 . THR 58 58 18607 1 . ASN 59 59 18607 1 . LEU 60 60 18607 1 . ALA 61 61 18607 1 . ALA 62 62 18607 1 . GLY 63 63 18607 1 . PHE 64 64 18607 1 . SER 65 65 18607 1 . ALA 66 66 18607 1 . GLY 67 67 18607 1 . THR 68 68 18607 1 . SER 69 69 18607 1 . THR 70 70 18607 1 . ASP 71 71 18607 1 . VAL 72 72 18607 1 . LEU 73 73 18607 1 . SER 74 74 18607 1 . SER 75 75 18607 1 . GLY 76 76 18607 1 . THR 77 77 18607 1 . VAL 78 78 18607 1 . GLY 79 79 18607 1 . SER 80 80 18607 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 18607 _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 $Avrpiz-t . 318829 organism . 'Magnaporthe oryzae' ascomycetes . . Eukaryota Fungi Magnaporthe oryzae . . . . . . . . . . . . . . . . . . . . . 18607 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 18607 _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 $Avrpiz-t . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . ppSUMO . . . . . . 18607 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18607 _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 Avrpiz-t '[U-100% 13C; U-100% 15N]' . . 1 $Avrpiz-t . . 0.3 . . mM . . . . 18607 1 2 D2O 'natural abundance' . . . . . . 90 . . % . . . . 18607 1 3 H2O 'natural abundance' . . . . . . 10 . . % . . . . 18607 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18607 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Avrpiz-t '[U-100% 15N]' . . 1 $Avrpiz-t . . 0.3 . . mM . . . . 18607 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18607 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18607 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20 mM NaH2PO4, 50 mM NaCl' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 18607 1 pH 6.5 . pH 18607 1 pressure 1 . atm 18607 1 temperature 293 . K 18607 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 18607 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 18607 2 temperature 293 . K 18607 2 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18607 _Software.ID 1 _Software.Name ARIA _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' . . 18607 1 Goddard . . 18607 1 'Linge, O'Donoghue and Nilges' . . 18607 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18607 1 processing 18607 1 'structure solution' 18607 1 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 18607 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _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 18607 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18607 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker INOVA . 800 . . . 18607 1 2 spectrometer_2 Varian INOVA . 600 . . . 18607 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 18607 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18607 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18607 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18607 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18607 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18607 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18607 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18607 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18607 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . $spectrometer_2 . . . . . . . . . . . . . . . . 18607 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18607 1 11 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18607 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 18607 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18607 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18607 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18607 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 18607 _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 3 '3D CBCA(CO)NH' . . . 18607 1 4 '3D HNCO' . . . 18607 1 5 '3D HNCA' . . . 18607 1 6 '3D HN(CO)CA' . . . 18607 1 7 '3D HCCH-TOCSY' . . . 18607 1 8 '3D 1H-15N TOCSY' . . . 18607 1 10 '3D 1H-13C NOESY' . . . 18607 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 SER HA H 1 4.465 . . 1 . . . A 19 SER HA . 18607 1 2 . 1 1 1 1 SER HB2 H 1 3.854 . . 2 . . . A 19 SER HB2 . 18607 1 3 . 1 1 1 1 SER HB3 H 1 3.783 . . 2 . . . A 19 SER HB3 . 18607 1 4 . 1 1 1 1 SER CA C 13 58.233 . . 1 . . . A 19 SER CA . 18607 1 5 . 1 1 1 1 SER CB C 13 63.843 . . 1 . . . A 19 SER CB . 18607 1 6 . 1 1 2 2 PHE H H 1 8.147 . . 1 . . . A 20 PHE H . 18607 1 7 . 1 1 2 2 PHE HA H 1 4.755 . . 1 . . . A 20 PHE HA . 18607 1 8 . 1 1 2 2 PHE HB2 H 1 3.117 . . 2 . . . A 20 PHE HB2 . 18607 1 9 . 1 1 2 2 PHE HB3 H 1 2.943 . . 2 . . . A 20 PHE HB3 . 18607 1 10 . 1 1 2 2 PHE HD1 H 1 7.152 . . 3 . . . A 20 PHE HD1 . 18607 1 11 . 1 1 2 2 PHE HD2 H 1 7.126 . . 3 . . . A 20 PHE HD2 . 18607 1 12 . 1 1 2 2 PHE HE1 H 1 7.146 . . 3 . . . A 20 PHE HE1 . 18607 1 13 . 1 1 2 2 PHE C C 13 173.486 . . 1 . . . A 20 PHE C . 18607 1 14 . 1 1 2 2 PHE CA C 13 56.644 . . 1 . . . A 20 PHE CA . 18607 1 15 . 1 1 2 2 PHE CB C 13 39.813 . . 1 . . . A 20 PHE CB . 18607 1 16 . 1 1 2 2 PHE N N 15 121.672 . . 1 . . . A 20 PHE N . 18607 1 17 . 1 1 3 3 VAL H H 1 8.522 . . 1 . . . A 21 VAL H . 18607 1 18 . 1 1 3 3 VAL HA H 1 4.057 . . 1 . . . A 21 VAL HA . 18607 1 19 . 1 1 3 3 VAL HB H 1 1.868 . . 1 . . . A 21 VAL HB . 18607 1 20 . 1 1 3 3 VAL HG11 H 1 0.932 . . 2 . . . A 21 VAL HG11 . 18607 1 21 . 1 1 3 3 VAL HG12 H 1 0.932 . . 2 . . . A 21 VAL HG12 . 18607 1 22 . 1 1 3 3 VAL HG13 H 1 0.932 . . 2 . . . A 21 VAL HG13 . 18607 1 23 . 1 1 3 3 VAL HG21 H 1 0.758 . . 2 . . . A 21 VAL HG21 . 18607 1 24 . 1 1 3 3 VAL HG22 H 1 0.758 . . 2 . . . A 21 VAL HG22 . 18607 1 25 . 1 1 3 3 VAL HG23 H 1 0.758 . . 2 . . . A 21 VAL HG23 . 18607 1 26 . 1 1 3 3 VAL C C 13 174.573 . . 1 . . . A 21 VAL C . 18607 1 27 . 1 1 3 3 VAL CA C 13 62.356 . . 1 . . . A 21 VAL CA . 18607 1 28 . 1 1 3 3 VAL CB C 13 33.184 . . 1 . . . A 21 VAL CB . 18607 1 29 . 1 1 3 3 VAL CG1 C 13 21.158 . . 2 . . . A 21 VAL CG1 . 18607 1 30 . 1 1 3 3 VAL CG2 C 13 21.334 . . 2 . . . A 21 VAL CG2 . 18607 1 31 . 1 1 3 3 VAL N N 15 124.948 . . 1 . . . A 21 VAL N . 18607 1 32 . 1 1 4 4 GLN H H 1 8.597 . . 1 . . . A 22 GLN H . 18607 1 33 . 1 1 4 4 GLN HA H 1 4.717 . . 1 . . . A 22 GLN HA . 18607 1 34 . 1 1 4 4 GLN HB2 H 1 1.682 . . 2 . . . A 22 GLN HB2 . 18607 1 35 . 1 1 4 4 GLN HB3 H 1 1.655 . . 2 . . . A 22 GLN HB3 . 18607 1 36 . 1 1 4 4 GLN HG2 H 1 2.163 . . 2 . . . A 22 GLN HG2 . 18607 1 37 . 1 1 4 4 GLN HG3 H 1 1.776 . . 2 . . . A 22 GLN HG3 . 18607 1 38 . 1 1 4 4 GLN HE21 H 1 7.461 . . 2 . . . A 22 GLN HE21 . 18607 1 39 . 1 1 4 4 GLN HE22 H 1 6.879 . . 2 . . . A 22 GLN HE22 . 18607 1 40 . 1 1 4 4 GLN C C 13 175.154 . . 1 . . . A 22 GLN C . 18607 1 41 . 1 1 4 4 GLN CA C 13 54.140 . . 1 . . . A 22 GLN CA . 18607 1 42 . 1 1 4 4 GLN CB C 13 32.769 . . 1 . . . A 22 GLN CB . 18607 1 43 . 1 1 4 4 GLN CG C 13 34.615 . . 1 . . . A 22 GLN CG . 18607 1 44 . 1 1 4 4 GLN N N 15 124.238 . . 1 . . . A 22 GLN N . 18607 1 45 . 1 1 4 4 GLN NE2 N 15 111.527 . . 1 . . . A 22 GLN NE2 . 18607 1 46 . 1 1 5 5 CYS H H 1 8.192 . . 1 . . . A 23 CYS H . 18607 1 47 . 1 1 5 5 CYS HA H 1 5.245 . . 1 . . . A 23 CYS HA . 18607 1 48 . 1 1 5 5 CYS HB2 H 1 2.752 . . 2 . . . A 23 CYS HB2 . 18607 1 49 . 1 1 5 5 CYS HB3 H 1 1.441 . . 2 . . . A 23 CYS HB3 . 18607 1 50 . 1 1 5 5 CYS C C 13 173.683 . . 1 . . . A 23 CYS C . 18607 1 51 . 1 1 5 5 CYS CA C 13 52.267 . . 1 . . . A 23 CYS CA . 18607 1 52 . 1 1 5 5 CYS CB C 13 41.113 . . 1 . . . A 23 CYS CB . 18607 1 53 . 1 1 5 5 CYS N N 15 114.861 . . 1 . . . A 23 CYS N . 18607 1 54 . 1 1 6 6 ASN H H 1 9.576 . . 1 . . . A 24 ASN H . 18607 1 55 . 1 1 6 6 ASN HA H 1 4.635 . . 1 . . . A 24 ASN HA . 18607 1 56 . 1 1 6 6 ASN HB2 H 1 2.852 . . 2 . . . A 24 ASN HB2 . 18607 1 57 . 1 1 6 6 ASN HB3 H 1 1.819 . . 2 . . . A 24 ASN HB3 . 18607 1 58 . 1 1 6 6 ASN HD21 H 1 7.154 . . 2 . . . A 24 ASN HD21 . 18607 1 59 . 1 1 6 6 ASN HD22 H 1 6.835 . . 2 . . . A 24 ASN HD22 . 18607 1 60 . 1 1 6 6 ASN C C 13 174.420 . . 1 . . . A 24 ASN C . 18607 1 61 . 1 1 6 6 ASN CA C 13 52.983 . . 1 . . . A 24 ASN CA . 18607 1 62 . 1 1 6 6 ASN CB C 13 38.920 . . 1 . . . A 24 ASN CB . 18607 1 63 . 1 1 6 6 ASN N N 15 122.166 . . 1 . . . A 24 ASN N . 18607 1 64 . 1 1 6 6 ASN ND2 N 15 114.453 . . 1 . . . A 24 ASN ND2 . 18607 1 65 . 1 1 7 7 HIS H H 1 8.636 . . 1 . . . A 25 HIS H . 18607 1 66 . 1 1 7 7 HIS HA H 1 4.564 . . 1 . . . A 25 HIS HA . 18607 1 67 . 1 1 7 7 HIS HB2 H 1 3.537 . . 2 . . . A 25 HIS HB2 . 18607 1 68 . 1 1 7 7 HIS HB3 H 1 2.865 . . 2 . . . A 25 HIS HB3 . 18607 1 69 . 1 1 7 7 HIS HD1 H 1 10.757 . . 1 . . . A 25 HIS HD1 . 18607 1 70 . 1 1 7 7 HIS HD2 H 1 6.498 . . 1 . . . A 25 HIS HD2 . 18607 1 71 . 1 1 7 7 HIS HE1 H 1 6.518 . . 1 . . . A 25 HIS HE1 . 18607 1 72 . 1 1 7 7 HIS C C 13 172.514 . . 1 . . . A 25 HIS C . 18607 1 73 . 1 1 7 7 HIS CA C 13 55.696 . . 1 . . . A 25 HIS CA . 18607 1 74 . 1 1 7 7 HIS CB C 13 28.845 . . 1 . . . A 25 HIS CB . 18607 1 75 . 1 1 7 7 HIS N N 15 121.949 . . 1 . . . A 25 HIS N . 18607 1 76 . 1 1 7 7 HIS ND1 N 15 126.775 . . 1 . . . A 25 HIS ND1 . 18607 1 77 . 1 1 8 8 HIS H H 1 8.397 . . 1 . . . A 26 HIS H . 18607 1 78 . 1 1 8 8 HIS HA H 1 5.728 . . 1 . . . A 26 HIS HA . 18607 1 79 . 1 1 8 8 HIS HB2 H 1 3.517 . . 2 . . . A 26 HIS HB2 . 18607 1 80 . 1 1 8 8 HIS HB3 H 1 3.180 . . 2 . . . A 26 HIS HB3 . 18607 1 81 . 1 1 8 8 HIS HD1 H 1 7.324 . . 1 . . . A 26 HIS HD1 . 18607 1 82 . 1 1 8 8 HIS HD2 H 1 7.329 . . 1 . . . A 26 HIS HD2 . 18607 1 83 . 1 1 8 8 HIS HE1 H 1 7.343 . . 1 . . . A 26 HIS HE1 . 18607 1 84 . 1 1 8 8 HIS C C 13 173.647 . . 1 . . . A 26 HIS C . 18607 1 85 . 1 1 8 8 HIS CA C 13 55.893 . . 1 . . . A 26 HIS CA . 18607 1 86 . 1 1 8 8 HIS CB C 13 32.183 . . 1 . . . A 26 HIS CB . 18607 1 87 . 1 1 8 8 HIS N N 15 124.140 . . 1 . . . A 26 HIS N . 18607 1 88 . 1 1 9 9 LEU H H 1 9.018 . . 1 . . . A 27 LEU H . 18607 1 89 . 1 1 9 9 LEU HA H 1 4.538 . . 1 . . . A 27 LEU HA . 18607 1 90 . 1 1 9 9 LEU HB2 H 1 1.244 . . 2 . . . A 27 LEU HB2 . 18607 1 91 . 1 1 9 9 LEU HB3 H 1 -0.128 . . 2 . . . A 27 LEU HB3 . 18607 1 92 . 1 1 9 9 LEU HG H 1 1.665 . . 1 . . . A 27 LEU HG . 18607 1 93 . 1 1 9 9 LEU HD11 H 1 0.379 . . 2 . . . A 27 LEU HD11 . 18607 1 94 . 1 1 9 9 LEU HD12 H 1 0.379 . . 2 . . . A 27 LEU HD12 . 18607 1 95 . 1 1 9 9 LEU HD13 H 1 0.379 . . 2 . . . A 27 LEU HD13 . 18607 1 96 . 1 1 9 9 LEU HD21 H 1 -0.068 . . 2 . . . A 27 LEU HD21 . 18607 1 97 . 1 1 9 9 LEU HD22 H 1 -0.068 . . 2 . . . A 27 LEU HD22 . 18607 1 98 . 1 1 9 9 LEU HD23 H 1 -0.068 . . 2 . . . A 27 LEU HD23 . 18607 1 99 . 1 1 9 9 LEU C C 13 172.471 . . 1 . . . A 27 LEU C . 18607 1 100 . 1 1 9 9 LEU CA C 13 52.924 . . 1 . . . A 27 LEU CA . 18607 1 101 . 1 1 9 9 LEU CB C 13 45.696 . . 1 . . . A 27 LEU CB . 18607 1 102 . 1 1 9 9 LEU CG C 13 25.993 . . 1 . . . A 27 LEU CG . 18607 1 103 . 1 1 9 9 LEU CD1 C 13 23.028 . . 2 . . . A 27 LEU CD1 . 18607 1 104 . 1 1 9 9 LEU CD2 C 13 27.804 . . 2 . . . A 27 LEU CD2 . 18607 1 105 . 1 1 9 9 LEU N N 15 123.508 . . 1 . . . A 27 LEU N . 18607 1 106 . 1 1 10 10 LEU H H 1 8.839 . . 1 . . . A 28 LEU H . 18607 1 107 . 1 1 10 10 LEU HA H 1 4.990 . . 1 . . . A 28 LEU HA . 18607 1 108 . 1 1 10 10 LEU HB2 H 1 1.889 . . 2 . . . A 28 LEU HB2 . 18607 1 109 . 1 1 10 10 LEU HB3 H 1 0.747 . . 2 . . . A 28 LEU HB3 . 18607 1 110 . 1 1 10 10 LEU HG H 1 1.361 . . 1 . . . A 28 LEU HG . 18607 1 111 . 1 1 10 10 LEU HD11 H 1 0.687 . . 2 . . . A 28 LEU HD11 . 18607 1 112 . 1 1 10 10 LEU HD12 H 1 0.687 . . 2 . . . A 28 LEU HD12 . 18607 1 113 . 1 1 10 10 LEU HD13 H 1 0.687 . . 2 . . . A 28 LEU HD13 . 18607 1 114 . 1 1 10 10 LEU HD21 H 1 0.655 . . 2 . . . A 28 LEU HD21 . 18607 1 115 . 1 1 10 10 LEU HD22 H 1 0.655 . . 2 . . . A 28 LEU HD22 . 18607 1 116 . 1 1 10 10 LEU HD23 H 1 0.655 . . 2 . . . A 28 LEU HD23 . 18607 1 117 . 1 1 10 10 LEU C C 13 175.126 . . 1 . . . A 28 LEU C . 18607 1 118 . 1 1 10 10 LEU CA C 13 53.421 . . 1 . . . A 28 LEU CA . 18607 1 119 . 1 1 10 10 LEU CB C 13 43.196 . . 1 . . . A 28 LEU CB . 18607 1 120 . 1 1 10 10 LEU CG C 13 26.909 . . 1 . . . A 28 LEU CG . 18607 1 121 . 1 1 10 10 LEU CD1 C 13 25.493 . . 2 . . . A 28 LEU CD1 . 18607 1 122 . 1 1 10 10 LEU CD2 C 13 21.707 . . 2 . . . A 28 LEU CD2 . 18607 1 123 . 1 1 10 10 LEU N N 15 125.352 . . 1 . . . A 28 LEU N . 18607 1 124 . 1 1 11 11 TYR H H 1 9.099 . . 1 . . . A 29 TYR H . 18607 1 125 . 1 1 11 11 TYR HA H 1 4.406 . . 1 . . . A 29 TYR HA . 18607 1 126 . 1 1 11 11 TYR HB2 H 1 2.623 . . 2 . . . A 29 TYR HB2 . 18607 1 127 . 1 1 11 11 TYR HB3 H 1 2.076 . . 2 . . . A 29 TYR HB3 . 18607 1 128 . 1 1 11 11 TYR HD1 H 1 5.568 . . 3 . . . A 29 TYR HD1 . 18607 1 129 . 1 1 11 11 TYR HE1 H 1 6.597 . . 3 . . . A 29 TYR HE1 . 18607 1 130 . 1 1 11 11 TYR HE2 H 1 6.597 . . . . . . A 29 TYR HE2 . 18607 1 131 . 1 1 11 11 TYR C C 13 175.745 . . 1 . . . A 29 TYR C . 18607 1 132 . 1 1 11 11 TYR CA C 13 56.658 . . 1 . . . A 29 TYR CA . 18607 1 133 . 1 1 11 11 TYR CB C 13 41.978 . . 1 . . . A 29 TYR CB . 18607 1 134 . 1 1 11 11 TYR N N 15 118.250 . . 1 . . . A 29 TYR N . 18607 1 135 . 1 1 12 12 ASN H H 1 8.714 . . 1 . . . A 30 ASN H . 18607 1 136 . 1 1 12 12 ASN HA H 1 3.947 . . 1 . . . A 30 ASN HA . 18607 1 137 . 1 1 12 12 ASN HB2 H 1 2.801 . . 2 . . . A 30 ASN HB2 . 18607 1 138 . 1 1 12 12 ASN HB3 H 1 2.141 . . 2 . . . A 30 ASN HB3 . 18607 1 139 . 1 1 12 12 ASN HD21 H 1 6.996 . . 2 . . . A 30 ASN HD21 . 18607 1 140 . 1 1 12 12 ASN HD22 H 1 6.267 . . 2 . . . A 30 ASN HD22 . 18607 1 141 . 1 1 12 12 ASN C C 13 176.203 . . 1 . . . A 30 ASN C . 18607 1 142 . 1 1 12 12 ASN CA C 13 53.375 . . 1 . . . A 30 ASN CA . 18607 1 143 . 1 1 12 12 ASN CB C 13 36.535 . . 1 . . . A 30 ASN CB . 18607 1 144 . 1 1 12 12 ASN N N 15 127.776 . . 1 . . . A 30 ASN N . 18607 1 145 . 1 1 12 12 ASN ND2 N 15 131.113 . . 1 . . . A 30 ASN ND2 . 18607 1 146 . 1 1 13 13 GLY H H 1 8.566 . . 1 . . . A 31 GLY H . 18607 1 147 . 1 1 13 13 GLY HA2 H 1 4.037 . . 2 . . . A 31 GLY HA2 . 18607 1 148 . 1 1 13 13 GLY HA3 H 1 3.362 . . 2 . . . A 31 GLY HA3 . 18607 1 149 . 1 1 13 13 GLY C C 13 175.317 . . 1 . . . A 31 GLY C . 18607 1 150 . 1 1 13 13 GLY CA C 13 45.490 . . 1 . . . A 31 GLY CA . 18607 1 151 . 1 1 13 13 GLY N N 15 121.843 . . 1 . . . A 31 GLY N . 18607 1 152 . 1 1 14 14 ARG H H 1 7.768 . . 1 . . . A 32 ARG H . 18607 1 153 . 1 1 14 14 ARG HA H 1 4.772 . . 1 . . . A 32 ARG HA . 18607 1 154 . 1 1 14 14 ARG HB2 H 1 1.985 . . 2 . . . A 32 ARG HB2 . 18607 1 155 . 1 1 14 14 ARG HB3 H 1 1.887 . . 2 . . . A 32 ARG HB3 . 18607 1 156 . 1 1 14 14 ARG HG2 H 1 1.684 . . 2 . . . A 32 ARG HG2 . 18607 1 157 . 1 1 14 14 ARG HD2 H 1 3.256 . . 2 . . . A 32 ARG HD2 . 18607 1 158 . 1 1 14 14 ARG C C 13 173.282 . . 1 . . . A 32 ARG C . 18607 1 159 . 1 1 14 14 ARG CA C 13 53.767 . . 1 . . . A 32 ARG CA . 18607 1 160 . 1 1 14 14 ARG CB C 13 33.102 . . 1 . . . A 32 ARG CB . 18607 1 161 . 1 1 14 14 ARG CG C 13 27.149 . . 1 . . . A 32 ARG CG . 18607 1 162 . 1 1 14 14 ARG CD C 13 43.271 . . 1 . . . A 32 ARG CD . 18607 1 163 . 1 1 14 14 ARG N N 15 120.387 . . 1 . . . A 32 ARG N . 18607 1 164 . 1 1 15 15 HIS H H 1 9.052 . . 1 . . . A 33 HIS H . 18607 1 165 . 1 1 15 15 HIS HA H 1 4.078 . . 1 . . . A 33 HIS HA . 18607 1 166 . 1 1 15 15 HIS HB2 H 1 3.083 . . 2 . . . A 33 HIS HB2 . 18607 1 167 . 1 1 15 15 HIS HB3 H 1 2.915 . . 2 . . . A 33 HIS HB3 . 18607 1 168 . 1 1 15 15 HIS HD1 H 1 6.837 . . 1 . . . A 33 HIS HD1 . 18607 1 169 . 1 1 15 15 HIS HD2 H 1 6.837 . . 1 . . . A 33 HIS HD2 . 18607 1 170 . 1 1 15 15 HIS HE1 H 1 6.857 . . 1 . . . A 33 HIS HE1 . 18607 1 171 . 1 1 15 15 HIS C C 13 175.394 . . 1 . . . A 33 HIS C . 18607 1 172 . 1 1 15 15 HIS CA C 13 60.901 . . 1 . . . A 33 HIS CA . 18607 1 173 . 1 1 15 15 HIS CB C 13 30.726 . . 1 . . . A 33 HIS CB . 18607 1 174 . 1 1 15 15 HIS N N 15 122.319 . . 1 . . . A 33 HIS N . 18607 1 175 . 1 1 16 16 TRP H H 1 8.893 . . 1 . . . A 34 TRP H . 18607 1 176 . 1 1 16 16 TRP HA H 1 4.600 . . 1 . . . A 34 TRP HA . 18607 1 177 . 1 1 16 16 TRP HB2 H 1 3.109 . . 2 . . . A 34 TRP HB2 . 18607 1 178 . 1 1 16 16 TRP HB3 H 1 2.981 . . 2 . . . A 34 TRP HB3 . 18607 1 179 . 1 1 16 16 TRP HD1 H 1 6.912 . . 1 . . . A 34 TRP HD1 . 18607 1 180 . 1 1 16 16 TRP HE1 H 1 10.281 . . 1 . . . A 34 TRP HE1 . 18607 1 181 . 1 1 16 16 TRP HE3 H 1 7.130 . . 1 . . . A 34 TRP HE3 . 18607 1 182 . 1 1 16 16 TRP C C 13 175.114 . . 1 . . . A 34 TRP C . 18607 1 183 . 1 1 16 16 TRP CA C 13 59.600 . . 1 . . . A 34 TRP CA . 18607 1 184 . 1 1 16 16 TRP CB C 13 32.000 . . 1 . . . A 34 TRP CB . 18607 1 185 . 1 1 16 16 TRP N N 15 128.894 . . 1 . . . A 34 TRP N . 18607 1 186 . 1 1 16 16 TRP NE1 N 15 130.625 . . 1 . . . A 34 TRP NE1 . 18607 1 187 . 1 1 18 18 THR H H 1 8.633 . . 1 . . . A 36 THR H . 18607 1 188 . 1 1 18 18 THR HA H 1 5.771 . . 1 . . . A 36 THR HA . 18607 1 189 . 1 1 18 18 THR HB H 1 3.874 . . 1 . . . A 36 THR HB . 18607 1 190 . 1 1 18 18 THR HG21 H 1 0.972 . . . . . . A 36 THR HG21 . 18607 1 191 . 1 1 18 18 THR HG22 H 1 0.972 . . . . . . A 36 THR HG22 . 18607 1 192 . 1 1 18 18 THR HG23 H 1 0.972 . . . . . . A 36 THR HG23 . 18607 1 193 . 1 1 18 18 THR C C 13 170.818 . . 1 . . . A 36 THR C . 18607 1 194 . 1 1 18 18 THR CA C 13 62.155 . . 1 . . . A 36 THR CA . 18607 1 195 . 1 1 18 18 THR CB C 13 72.559 . . 1 . . . A 36 THR CB . 18607 1 196 . 1 1 18 18 THR CG2 C 13 22.439 . . 1 . . . A 36 THR CG2 . 18607 1 197 . 1 1 18 18 THR N N 15 117.235 . . 1 . . . A 36 THR N . 18607 1 198 . 1 1 19 19 ILE H H 1 8.819 . . 1 . . . A 37 ILE H . 18607 1 199 . 1 1 19 19 ILE HA H 1 4.363 . . 1 . . . A 37 ILE HA . 18607 1 200 . 1 1 19 19 ILE HB H 1 0.977 . . 1 . . . A 37 ILE HB . 18607 1 201 . 1 1 19 19 ILE HG12 H 1 1.274 . . 2 . . . A 37 ILE HG12 . 18607 1 202 . 1 1 19 19 ILE HG13 H 1 0.876 . . 2 . . . A 37 ILE HG13 . 18607 1 203 . 1 1 19 19 ILE HG21 H 1 0.698 . . 1 . . . A 37 ILE HG21 . 18607 1 204 . 1 1 19 19 ILE HG22 H 1 0.698 . . 1 . . . A 37 ILE HG22 . 18607 1 205 . 1 1 19 19 ILE HG23 H 1 0.698 . . 1 . . . A 37 ILE HG23 . 18607 1 206 . 1 1 19 19 ILE HD11 H 1 -0.038 . . 1 . . . A 37 ILE HD11 . 18607 1 207 . 1 1 19 19 ILE HD12 H 1 -0.038 . . 1 . . . A 37 ILE HD12 . 18607 1 208 . 1 1 19 19 ILE HD13 H 1 -0.038 . . 1 . . . A 37 ILE HD13 . 18607 1 209 . 1 1 19 19 ILE C C 13 174.236 . . 1 . . . A 37 ILE C . 18607 1 210 . 1 1 19 19 ILE CA C 13 61.063 . . 1 . . . A 37 ILE CA . 18607 1 211 . 1 1 19 19 ILE CB C 13 42.193 . . 1 . . . A 37 ILE CB . 18607 1 212 . 1 1 19 19 ILE CG1 C 13 28.558 . . 1 . . . A 37 ILE CG1 . 18607 1 213 . 1 1 19 19 ILE CG2 C 13 17.825 . . 1 . . . A 37 ILE CG2 . 18607 1 214 . 1 1 19 19 ILE CD1 C 13 13.493 . . 1 . . . A 37 ILE CD1 . 18607 1 215 . 1 1 19 19 ILE N N 15 125.487 . . 1 . . . A 37 ILE N . 18607 1 216 . 1 1 20 20 ARG H H 1 9.279 . . 1 . . . A 38 ARG H . 18607 1 217 . 1 1 20 20 ARG HA H 1 5.527 . . 1 . . . A 38 ARG HA . 18607 1 218 . 1 1 20 20 ARG HB2 H 1 1.834 . . 2 . . . A 38 ARG HB2 . 18607 1 219 . 1 1 20 20 ARG HB3 H 1 1.762 . . 2 . . . A 38 ARG HB3 . 18607 1 220 . 1 1 20 20 ARG HG2 H 1 1.403 . . 2 . . . A 38 ARG HG2 . 18607 1 221 . 1 1 20 20 ARG HG3 H 1 1.330 . . 2 . . . A 38 ARG HG3 . 18607 1 222 . 1 1 20 20 ARG HD2 H 1 3.108 . . 2 . . . A 38 ARG HD2 . 18607 1 223 . 1 1 20 20 ARG HD3 H 1 3.061 . . 2 . . . A 38 ARG HD3 . 18607 1 224 . 1 1 20 20 ARG C C 13 175.319 . . 1 . . . A 38 ARG C . 18607 1 225 . 1 1 20 20 ARG CA C 13 54.994 . . 1 . . . A 38 ARG CA . 18607 1 226 . 1 1 20 20 ARG CB C 13 31.536 . . 1 . . . A 38 ARG CB . 18607 1 227 . 1 1 20 20 ARG CG C 13 26.670 . . 1 . . . A 38 ARG CG . 18607 1 228 . 1 1 20 20 ARG CD C 13 43.819 . . 1 . . . A 38 ARG CD . 18607 1 229 . 1 1 20 20 ARG N N 15 113.801 . . 1 . . . A 38 ARG N . 18607 1 230 . 1 1 21 21 LYS H H 1 8.688 . . 1 . . . A 39 LYS H . 18607 1 231 . 1 1 21 21 LYS HA H 1 4.455 . . 1 . . . A 39 LYS HA . 18607 1 232 . 1 1 21 21 LYS HB2 H 1 1.596 . . 2 . . . A 39 LYS HB2 . 18607 1 233 . 1 1 21 21 LYS HB3 H 1 1.324 . . 2 . . . A 39 LYS HB3 . 18607 1 234 . 1 1 21 21 LYS HG2 H 1 1.653 . . 2 . . . A 39 LYS HG2 . 18607 1 235 . 1 1 21 21 LYS HG3 H 1 1.474 . . 2 . . . A 39 LYS HG3 . 18607 1 236 . 1 1 21 21 LYS HD2 H 1 1.783 . . 2 . . . A 39 LYS HD2 . 18607 1 237 . 1 1 21 21 LYS HD3 H 1 1.731 . . 2 . . . A 39 LYS HD3 . 18607 1 238 . 1 1 21 21 LYS HE2 H 1 2.958 . . 2 . . . A 39 LYS HE2 . 18607 1 239 . 1 1 21 21 LYS HE3 H 1 2.918 . . 2 . . . A 39 LYS HE3 . 18607 1 240 . 1 1 21 21 LYS C C 13 174.897 . . 1 . . . A 39 LYS C . 18607 1 241 . 1 1 21 21 LYS CA C 13 54.864 . . 1 . . . A 39 LYS CA . 18607 1 242 . 1 1 21 21 LYS CB C 13 37.745 . . 1 . . . A 39 LYS CB . 18607 1 243 . 1 1 21 21 LYS CG C 13 25.923 . . 1 . . . A 39 LYS CG . 18607 1 244 . 1 1 21 21 LYS CD C 13 28.600 . . 1 . . . A 39 LYS CD . 18607 1 245 . 1 1 21 21 LYS CE C 13 42.059 . . 1 . . . A 39 LYS CE . 18607 1 246 . 1 1 21 21 LYS N N 15 126.172 . . 1 . . . A 39 LYS N . 18607 1 247 . 1 1 22 22 LYS H H 1 7.881 . . 1 . . . A 40 LYS H . 18607 1 248 . 1 1 22 22 LYS HA H 1 4.087 . . 1 . . . A 40 LYS HA . 18607 1 249 . 1 1 22 22 LYS HB2 H 1 0.984 . . 2 . . . A 40 LYS HB2 . 18607 1 250 . 1 1 22 22 LYS HB3 H 1 0.929 . . 2 . . . A 40 LYS HB3 . 18607 1 251 . 1 1 22 22 LYS HG2 H 1 1.012 . . 2 . . . A 40 LYS HG2 . 18607 1 252 . 1 1 22 22 LYS HG3 H 1 0.906 . . 2 . . . A 40 LYS HG3 . 18607 1 253 . 1 1 22 22 LYS HD2 H 1 0.670 . . 2 . . . A 40 LYS HD2 . 18607 1 254 . 1 1 22 22 LYS HD3 H 1 0.617 . . 2 . . . A 40 LYS HD3 . 18607 1 255 . 1 1 22 22 LYS HE2 H 1 2.364 . . 2 . . . A 40 LYS HE2 . 18607 1 256 . 1 1 22 22 LYS HE3 H 1 2.313 . . 2 . . . A 40 LYS HE3 . 18607 1 257 . 1 1 22 22 LYS C C 13 174.441 . . 1 . . . A 40 LYS C . 18607 1 258 . 1 1 22 22 LYS CA C 13 57.481 . . 1 . . . A 40 LYS CA . 18607 1 259 . 1 1 22 22 LYS CB C 13 33.002 . . 1 . . . A 40 LYS CB . 18607 1 260 . 1 1 22 22 LYS CG C 13 24.784 . . 1 . . . A 40 LYS CG . 18607 1 261 . 1 1 22 22 LYS CD C 13 28.807 . . 1 . . . A 40 LYS CD . 18607 1 262 . 1 1 22 22 LYS CE C 13 41.786 . . 1 . . . A 40 LYS CE . 18607 1 263 . 1 1 22 22 LYS N N 15 124.869 . . 1 . . . A 40 LYS N . 18607 1 264 . 1 1 23 23 ALA H H 1 8.322 . . 1 . . . A 41 ALA H . 18607 1 265 . 1 1 23 23 ALA HA H 1 3.810 . . 1 . . . A 41 ALA HA . 18607 1 266 . 1 1 23 23 ALA HB1 H 1 1.170 . . 1 . . . A 41 ALA HB1 . 18607 1 267 . 1 1 23 23 ALA HB2 H 1 1.170 . . 1 . . . A 41 ALA HB2 . 18607 1 268 . 1 1 23 23 ALA HB3 H 1 1.170 . . 1 . . . A 41 ALA HB3 . 18607 1 269 . 1 1 23 23 ALA C C 13 174.675 . . 1 . . . A 41 ALA C . 18607 1 270 . 1 1 23 23 ALA CA C 13 54.549 . . 1 . . . A 41 ALA CA . 18607 1 271 . 1 1 23 23 ALA CB C 13 18.095 . . 1 . . . A 41 ALA CB . 18607 1 272 . 1 1 23 23 ALA N N 15 126.655 . . 1 . . . A 41 ALA N . 18607 1 273 . 1 1 24 24 GLY H H 1 9.484 . . 1 . . . A 42 GLY H . 18607 1 274 . 1 1 24 24 GLY HA2 H 1 4.337 . . 2 . . . A 42 GLY HA2 . 18607 1 275 . 1 1 24 24 GLY HA3 H 1 3.731 . . 2 . . . A 42 GLY HA3 . 18607 1 276 . 1 1 24 24 GLY C C 13 178.600 . . 1 . . . A 42 GLY C . 18607 1 277 . 1 1 24 24 GLY CA C 13 44.770 . . 1 . . . A 42 GLY CA . 18607 1 278 . 1 1 24 24 GLY N N 15 113.111 . . 1 . . . A 42 GLY N . 18607 1 279 . 1 1 25 25 TRP H H 1 8.229 . . 1 . . . A 43 TRP H . 18607 1 280 . 1 1 25 25 TRP HA H 1 4.585 . . 1 . . . A 43 TRP HA . 18607 1 281 . 1 1 25 25 TRP HB2 H 1 3.311 . . 2 . . . A 43 TRP HB2 . 18607 1 282 . 1 1 25 25 TRP HB3 H 1 3.110 . . 2 . . . A 43 TRP HB3 . 18607 1 283 . 1 1 25 25 TRP HD1 H 1 7.011 . . 1 . . . A 43 TRP HD1 . 18607 1 284 . 1 1 25 25 TRP HE1 H 1 10.196 . . 1 . . . A 43 TRP HE1 . 18607 1 285 . 1 1 25 25 TRP HE3 H 1 7.037 . . 1 . . . A 43 TRP HE3 . 18607 1 286 . 1 1 25 25 TRP C C 13 174.556 . . 1 . . . A 43 TRP C . 18607 1 287 . 1 1 25 25 TRP CA C 13 56.814 . . 1 . . . A 43 TRP CA . 18607 1 288 . 1 1 25 25 TRP CB C 13 29.671 . . 1 . . . A 43 TRP CB . 18607 1 289 . 1 1 25 25 TRP N N 15 123.508 . . 1 . . . A 43 TRP N . 18607 1 290 . 1 1 25 25 TRP NE1 N 15 129.082 . . 1 . . . A 43 TRP NE1 . 18607 1 291 . 1 1 26 26 ALA H H 1 8.403 . . 1 . . . A 44 ALA H . 18607 1 292 . 1 1 26 26 ALA HA H 1 4.311 . . 1 . . . A 44 ALA HA . 18607 1 293 . 1 1 26 26 ALA HB1 H 1 1.132 . . 1 . . . A 44 ALA HB1 . 18607 1 294 . 1 1 26 26 ALA HB2 H 1 1.132 . . 1 . . . A 44 ALA HB2 . 18607 1 295 . 1 1 26 26 ALA HB3 H 1 1.132 . . 1 . . . A 44 ALA HB3 . 18607 1 296 . 1 1 26 26 ALA C C 13 175.921 . . 1 . . . A 44 ALA C . 18607 1 297 . 1 1 26 26 ALA CA C 13 52.417 . . 1 . . . A 44 ALA CA . 18607 1 298 . 1 1 26 26 ALA CB C 13 18.486 . . 1 . . . A 44 ALA CB . 18607 1 299 . 1 1 26 26 ALA N N 15 123.448 . . 1 . . . A 44 ALA N . 18607 1 300 . 1 1 27 27 VAL H H 1 9.082 . . 1 . . . A 45 VAL H . 18607 1 301 . 1 1 27 27 VAL HA H 1 4.103 . . 1 . . . A 45 VAL HA . 18607 1 302 . 1 1 27 27 VAL HB H 1 1.531 . . 1 . . . A 45 VAL HB . 18607 1 303 . 1 1 27 27 VAL HG11 H 1 0.139 . . 2 . . . A 45 VAL HG11 . 18607 1 304 . 1 1 27 27 VAL HG12 H 1 0.139 . . 2 . . . A 45 VAL HG12 . 18607 1 305 . 1 1 27 27 VAL HG13 H 1 0.139 . . 2 . . . A 45 VAL HG13 . 18607 1 306 . 1 1 27 27 VAL HG21 H 1 0.045 . . 2 . . . A 45 VAL HG21 . 18607 1 307 . 1 1 27 27 VAL HG22 H 1 0.045 . . 2 . . . A 45 VAL HG22 . 18607 1 308 . 1 1 27 27 VAL HG23 H 1 0.045 . . 2 . . . A 45 VAL HG23 . 18607 1 309 . 1 1 27 27 VAL C C 13 177.027 . . 1 . . . A 45 VAL C . 18607 1 310 . 1 1 27 27 VAL CA C 13 59.989 . . 1 . . . A 45 VAL CA . 18607 1 311 . 1 1 27 27 VAL CB C 13 32.670 . . 1 . . . A 45 VAL CB . 18607 1 312 . 1 1 27 27 VAL CG1 C 13 20.118 . . 2 . . . A 45 VAL CG1 . 18607 1 313 . 1 1 27 27 VAL CG2 C 13 22.773 . . 2 . . . A 45 VAL CG2 . 18607 1 314 . 1 1 27 27 VAL N N 15 120.094 . . 1 . . . A 45 VAL N . 18607 1 315 . 1 1 28 28 ARG H H 1 8.165 . . 1 . . . A 46 ARG H . 18607 1 316 . 1 1 28 28 ARG HA H 1 4.641 . . 1 . . . A 46 ARG HA . 18607 1 317 . 1 1 28 28 ARG HB2 H 1 1.659 . . 2 . . . A 46 ARG HB2 . 18607 1 318 . 1 1 28 28 ARG HB3 H 1 1.172 . . 2 . . . A 46 ARG HB3 . 18607 1 319 . 1 1 28 28 ARG HG2 H 1 1.572 . . 2 . . . A 46 ARG HG2 . 18607 1 320 . 1 1 28 28 ARG HG3 H 1 1.284 . . 2 . . . A 46 ARG HG3 . 18607 1 321 . 1 1 28 28 ARG HD2 H 1 3.259 . . 2 . . . A 46 ARG HD2 . 18607 1 322 . 1 1 28 28 ARG HD3 H 1 3.124 . . 2 . . . A 46 ARG HD3 . 18607 1 323 . 1 1 28 28 ARG C C 13 173.956 . . 1 . . . A 46 ARG C . 18607 1 324 . 1 1 28 28 ARG CA C 13 54.906 . . 1 . . . A 46 ARG CA . 18607 1 325 . 1 1 28 28 ARG CB C 13 31.966 . . 1 . . . A 46 ARG CB . 18607 1 326 . 1 1 28 28 ARG CG C 13 28.540 . . 1 . . . A 46 ARG CG . 18607 1 327 . 1 1 28 28 ARG CD C 13 43.424 . . 1 . . . A 46 ARG CD . 18607 1 328 . 1 1 28 28 ARG N N 15 124.038 . . 1 . . . A 46 ARG N . 18607 1 329 . 1 1 29 29 PHE H H 1 8.507 . . 1 . . . A 47 PHE H . 18607 1 330 . 1 1 29 29 PHE HA H 1 4.587 . . 1 . . . A 47 PHE HA . 18607 1 331 . 1 1 29 29 PHE HB2 H 1 2.592 . . 2 . . . A 47 PHE HB2 . 18607 1 332 . 1 1 29 29 PHE C C 13 173.627 . . 1 . . . A 47 PHE C . 18607 1 333 . 1 1 29 29 PHE CA C 13 56.834 . . 1 . . . A 47 PHE CA . 18607 1 334 . 1 1 29 29 PHE CB C 13 41.681 . . 1 . . . A 47 PHE CB . 18607 1 335 . 1 1 29 29 PHE N N 15 121.028 . . 1 . . . A 47 PHE N . 18607 1 336 . 1 1 30 30 TYR H H 1 8.964 . . 1 . . . A 48 TYR H . 18607 1 337 . 1 1 30 30 TYR HA H 1 5.397 . . 1 . . . A 48 TYR HA . 18607 1 338 . 1 1 30 30 TYR HB2 H 1 2.811 . . 2 . . . A 48 TYR HB2 . 18607 1 339 . 1 1 30 30 TYR HB3 H 1 2.598 . . 2 . . . A 48 TYR HB3 . 18607 1 340 . 1 1 30 30 TYR HD1 H 1 6.813 . . 3 . . . A 48 TYR HD1 . 18607 1 341 . 1 1 30 30 TYR HE1 H 1 6.716 . . . . . . A 48 TYR HE1 . 18607 1 342 . 1 1 30 30 TYR HE2 H 1 6.716 . . 3 . . . A 48 TYR HE2 . 18607 1 343 . 1 1 30 30 TYR C C 13 174.607 . . 1 . . . A 48 TYR C . 18607 1 344 . 1 1 30 30 TYR CA C 13 56.621 . . 1 . . . A 48 TYR CA . 18607 1 345 . 1 1 30 30 TYR CB C 13 41.840 . . 1 . . . A 48 TYR CB . 18607 1 346 . 1 1 30 30 TYR N N 15 120.294 . . 1 . . . A 48 TYR N . 18607 1 347 . 1 1 31 31 GLU H H 1 9.448 . . 1 . . . A 49 GLU H . 18607 1 348 . 1 1 31 31 GLU HA H 1 4.908 . . 1 . . . A 49 GLU HA . 18607 1 349 . 1 1 31 31 GLU HB2 H 1 2.181 . . 2 . . . A 49 GLU HB2 . 18607 1 350 . 1 1 31 31 GLU HB3 H 1 1.977 . . 2 . . . A 49 GLU HB3 . 18607 1 351 . 1 1 31 31 GLU HG2 H 1 2.439 . . 2 . . . A 49 GLU HG2 . 18607 1 352 . 1 1 31 31 GLU HG3 H 1 2.168 . . 2 . . . A 49 GLU HG3 . 18607 1 353 . 1 1 31 31 GLU C C 13 175.240 . . 1 . . . A 49 GLU C . 18607 1 354 . 1 1 31 31 GLU CA C 13 55.400 . . 1 . . . A 49 GLU CA . 18607 1 355 . 1 1 31 31 GLU CB C 13 33.359 . . 1 . . . A 49 GLU CB . 18607 1 356 . 1 1 31 31 GLU CG C 13 37.685 . . 1 . . . A 49 GLU CG . 18607 1 357 . 1 1 31 31 GLU N N 15 123.284 . . 1 . . . A 49 GLU N . 18607 1 358 . 1 1 32 32 GLU H H 1 9.168 . . 1 . . . A 50 GLU H . 18607 1 359 . 1 1 32 32 GLU HA H 1 4.774 . . 1 . . . A 50 GLU HA . 18607 1 360 . 1 1 32 32 GLU HB2 H 1 1.975 . . 2 . . . A 50 GLU HB2 . 18607 1 361 . 1 1 32 32 GLU HB3 H 1 1.829 . . 2 . . . A 50 GLU HB3 . 18607 1 362 . 1 1 32 32 GLU HG2 H 1 2.126 . . 2 . . . A 50 GLU HG2 . 18607 1 363 . 1 1 32 32 GLU HG3 H 1 2.008 . . 2 . . . A 50 GLU HG3 . 18607 1 364 . 1 1 32 32 GLU C C 13 175.159 . . 1 . . . A 50 GLU C . 18607 1 365 . 1 1 32 32 GLU CA C 13 55.278 . . 1 . . . A 50 GLU CA . 18607 1 366 . 1 1 32 32 GLU CB C 13 31.418 . . 1 . . . A 50 GLU CB . 18607 1 367 . 1 1 32 32 GLU CG C 13 36.872 . . 1 . . . A 50 GLU CG . 18607 1 368 . 1 1 32 32 GLU N N 15 130.287 . . 1 . . . A 50 GLU N . 18607 1 369 . 1 1 33 33 LYS H H 1 8.798 . . 1 . . . A 51 LYS H . 18607 1 370 . 1 1 33 33 LYS HA H 1 4.670 . . 1 . . . A 51 LYS HA . 18607 1 371 . 1 1 33 33 LYS HB2 H 1 1.746 . . 2 . . . A 51 LYS HB2 . 18607 1 372 . 1 1 33 33 LYS HB3 H 1 1.491 . . 2 . . . A 51 LYS HB3 . 18607 1 373 . 1 1 33 33 LYS HG2 H 1 1.395 . . 2 . . . A 51 LYS HG2 . 18607 1 374 . 1 1 33 33 LYS HD2 H 1 1.659 . . 2 . . . A 51 LYS HD2 . 18607 1 375 . 1 1 33 33 LYS HE2 H 1 2.931 . . 2 . . . A 51 LYS HE2 . 18607 1 376 . 1 1 33 33 LYS C C 13 175.090 . . 1 . . . A 51 LYS C . 18607 1 377 . 1 1 33 33 LYS CA C 13 53.865 . . 1 . . . A 51 LYS CA . 18607 1 378 . 1 1 33 33 LYS CB C 13 33.322 . . 1 . . . A 51 LYS CB . 18607 1 379 . 1 1 33 33 LYS CG C 13 25.254 . . 1 . . . A 51 LYS CG . 18607 1 380 . 1 1 33 33 LYS CD C 13 29.214 . . 1 . . . A 51 LYS CD . 18607 1 381 . 1 1 33 33 LYS CE C 13 42.029 . . 1 . . . A 51 LYS CE . 18607 1 382 . 1 1 33 33 LYS N N 15 126.416 . . 1 . . . A 51 LYS N . 18607 1 383 . 1 1 34 34 PRO HA H 1 4.305 . . 1 . . . A 52 PRO HA . 18607 1 384 . 1 1 34 34 PRO HB2 H 1 2.275 . . 2 . . . A 52 PRO HB2 . 18607 1 385 . 1 1 34 34 PRO HB3 H 1 1.895 . . 2 . . . A 52 PRO HB3 . 18607 1 386 . 1 1 34 34 PRO HG2 H 1 2.129 . . 2 . . . A 52 PRO HG2 . 18607 1 387 . 1 1 34 34 PRO HG3 H 1 2.009 . . 2 . . . A 52 PRO HG3 . 18607 1 388 . 1 1 34 34 PRO HD2 H 1 3.869 . . 2 . . . A 52 PRO HD2 . 18607 1 389 . 1 1 34 34 PRO HD3 H 1 3.598 . . 2 . . . A 52 PRO HD3 . 18607 1 390 . 1 1 34 34 PRO CA C 13 63.992 . . 1 . . . A 52 PRO CA . 18607 1 391 . 1 1 34 34 PRO CB C 13 31.633 . . 1 . . . A 52 PRO CB . 18607 1 392 . 1 1 34 34 PRO CG C 13 27.727 . . 1 . . . A 52 PRO CG . 18607 1 393 . 1 1 34 34 PRO CD C 13 50.478 . . 1 . . . A 52 PRO CD . 18607 1 394 . 1 1 35 35 GLY H H 1 7.656 . . 1 . . . A 53 GLY H . 18607 1 395 . 1 1 35 35 GLY HA2 H 1 4.290 . . 2 . . . A 53 GLY HA2 . 18607 1 396 . 1 1 35 35 GLY HA3 H 1 3.811 . . 2 . . . A 53 GLY HA3 . 18607 1 397 . 1 1 35 35 GLY C C 13 175.386 . . 1 . . . A 53 GLY C . 18607 1 398 . 1 1 35 35 GLY CA C 13 45.998 . . 1 . . . A 53 GLY CA . 18607 1 399 . 1 1 35 35 GLY N N 15 104.179 . . 1 . . . A 53 GLY N . 18607 1 400 . 1 1 36 36 GLN H H 1 7.908 . . 1 . . . A 54 GLN H . 18607 1 401 . 1 1 36 36 GLN HA H 1 4.889 . . 1 . . . A 54 GLN HA . 18607 1 402 . 1 1 36 36 GLN HB2 H 1 2.142 . . 2 . . . A 54 GLN HB2 . 18607 1 403 . 1 1 36 36 GLN HB3 H 1 1.808 . . 2 . . . A 54 GLN HB3 . 18607 1 404 . 1 1 36 36 GLN HG2 H 1 2.208 . . 2 . . . A 54 GLN HG2 . 18607 1 405 . 1 1 36 36 GLN HG3 H 1 2.155 . . 2 . . . A 54 GLN HG3 . 18607 1 406 . 1 1 36 36 GLN HE21 H 1 7.569 . . 2 . . . A 54 GLN HE21 . 18607 1 407 . 1 1 36 36 GLN HE22 H 1 6.926 . . 2 . . . A 54 GLN HE22 . 18607 1 408 . 1 1 36 36 GLN C C 13 173.552 . . 1 . . . A 54 GLN C . 18607 1 409 . 1 1 36 36 GLN CA C 13 52.512 . . 1 . . . A 54 GLN CA . 18607 1 410 . 1 1 36 36 GLN CB C 13 30.105 . . 1 . . . A 54 GLN CB . 18607 1 411 . 1 1 36 36 GLN CG C 13 33.096 . . 1 . . . A 54 GLN CG . 18607 1 412 . 1 1 36 36 GLN N N 15 118.565 . . 1 . . . A 54 GLN N . 18607 1 413 . 1 1 36 36 GLN NE2 N 15 113.075 . . 1 . . . A 54 GLN NE2 . 18607 1 414 . 1 1 37 37 PRO HA H 1 4.486 . . 1 . . . A 55 PRO HA . 18607 1 415 . 1 1 37 37 PRO HB2 H 1 2.329 . . 2 . . . A 55 PRO HB2 . 18607 1 416 . 1 1 37 37 PRO HB3 H 1 1.820 . . 2 . . . A 55 PRO HB3 . 18607 1 417 . 1 1 37 37 PRO HG2 H 1 2.060 . . 2 . . . A 55 PRO HG2 . 18607 1 418 . 1 1 37 37 PRO HG3 H 1 1.976 . . 2 . . . A 55 PRO HG3 . 18607 1 419 . 1 1 37 37 PRO HD2 H 1 3.784 . . 2 . . . A 55 PRO HD2 . 18607 1 420 . 1 1 37 37 PRO HD3 H 1 3.645 . . 2 . . . A 55 PRO HD3 . 18607 1 421 . 1 1 37 37 PRO CA C 13 62.336 . . 1 . . . A 55 PRO CA . 18607 1 422 . 1 1 37 37 PRO CB C 13 31.939 . . 1 . . . A 55 PRO CB . 18607 1 423 . 1 1 37 37 PRO CG C 13 27.531 . . 1 . . . A 55 PRO CG . 18607 1 424 . 1 1 37 37 PRO CD C 13 50.479 . . 1 . . . A 55 PRO CD . 18607 1 425 . 1 1 38 38 LYS H H 1 8.614 . . 1 . . . A 56 LYS H . 18607 1 426 . 1 1 38 38 LYS HA H 1 4.491 . . 1 . . . A 56 LYS HA . 18607 1 427 . 1 1 38 38 LYS HB2 H 1 1.640 . . 2 . . . A 56 LYS HB2 . 18607 1 428 . 1 1 38 38 LYS HG2 H 1 1.220 . . 2 . . . A 56 LYS HG2 . 18607 1 429 . 1 1 38 38 LYS HD2 H 1 1.215 . . 2 . . . A 56 LYS HD2 . 18607 1 430 . 1 1 38 38 LYS HD3 H 1 1.115 . . 2 . . . A 56 LYS HD3 . 18607 1 431 . 1 1 38 38 LYS HE2 H 1 2.275 . . 2 . . . A 56 LYS HE2 . 18607 1 432 . 1 1 38 38 LYS C C 13 177.217 . . 1 . . . A 56 LYS C . 18607 1 433 . 1 1 38 38 LYS CA C 13 57.343 . . 1 . . . A 56 LYS CA . 18607 1 434 . 1 1 38 38 LYS CB C 13 33.134 . . 1 . . . A 56 LYS CB . 18607 1 435 . 1 1 38 38 LYS CG C 13 24.771 . . 1 . . . A 56 LYS CG . 18607 1 436 . 1 1 38 38 LYS CD C 13 29.460 . . 1 . . . A 56 LYS CD . 18607 1 437 . 1 1 38 38 LYS CE C 13 41.244 . . 1 . . . A 56 LYS CE . 18607 1 438 . 1 1 38 38 LYS N N 15 123.985 . . 1 . . . A 56 LYS N . 18607 1 439 . 1 1 39 39 ARG H H 1 8.637 . . 1 . . . A 57 ARG H . 18607 1 440 . 1 1 39 39 ARG HA H 1 4.847 . . 1 . . . A 57 ARG HA . 18607 1 441 . 1 1 39 39 ARG HB2 H 1 1.944 . . 2 . . . A 57 ARG HB2 . 18607 1 442 . 1 1 39 39 ARG HB3 H 1 1.764 . . 2 . . . A 57 ARG HB3 . 18607 1 443 . 1 1 39 39 ARG HG2 H 1 1.588 . . 2 . . . A 57 ARG HG2 . 18607 1 444 . 1 1 39 39 ARG HG3 H 1 1.374 . . 2 . . . A 57 ARG HG3 . 18607 1 445 . 1 1 39 39 ARG HD2 H 1 3.208 . . 2 . . . A 57 ARG HD2 . 18607 1 446 . 1 1 39 39 ARG HD3 H 1 3.104 . . 2 . . . A 57 ARG HD3 . 18607 1 447 . 1 1 39 39 ARG C C 13 175.999 . . 1 . . . A 57 ARG C . 18607 1 448 . 1 1 39 39 ARG CA C 13 54.440 . . 1 . . . A 57 ARG CA . 18607 1 449 . 1 1 39 39 ARG CB C 13 33.941 . . 1 . . . A 57 ARG CB . 18607 1 450 . 1 1 39 39 ARG CG C 13 27.350 . . 1 . . . A 57 ARG CG . 18607 1 451 . 1 1 39 39 ARG CD C 13 43.831 . . 1 . . . A 57 ARG CD . 18607 1 452 . 1 1 39 39 ARG N N 15 123.591 . . 1 . . . A 57 ARG N . 18607 1 453 . 1 1 40 40 LEU H H 1 8.967 . . 1 . . . A 58 LEU H . 18607 1 454 . 1 1 40 40 LEU HA H 1 4.036 . . 1 . . . A 58 LEU HA . 18607 1 455 . 1 1 40 40 LEU HB2 H 1 1.736 . . 2 . . . A 58 LEU HB2 . 18607 1 456 . 1 1 40 40 LEU HB3 H 1 1.351 . . 2 . . . A 58 LEU HB3 . 18607 1 457 . 1 1 40 40 LEU HG H 1 1.093 . . 1 . . . A 58 LEU HG . 18607 1 458 . 1 1 40 40 LEU HD11 H 1 0.755 . . 2 . . . A 58 LEU HD11 . 18607 1 459 . 1 1 40 40 LEU HD12 H 1 0.755 . . 2 . . . A 58 LEU HD12 . 18607 1 460 . 1 1 40 40 LEU HD13 H 1 0.755 . . 2 . . . A 58 LEU HD13 . 18607 1 461 . 1 1 40 40 LEU HD21 H 1 0.360 . . 2 . . . A 58 LEU HD21 . 18607 1 462 . 1 1 40 40 LEU HD22 H 1 0.360 . . 2 . . . A 58 LEU HD22 . 18607 1 463 . 1 1 40 40 LEU HD23 H 1 0.360 . . 2 . . . A 58 LEU HD23 . 18607 1 464 . 1 1 40 40 LEU C C 13 174.629 . . 1 . . . A 58 LEU C . 18607 1 465 . 1 1 40 40 LEU CA C 13 55.678 . . 1 . . . A 58 LEU CA . 18607 1 466 . 1 1 40 40 LEU CB C 13 42.343 . . 1 . . . A 58 LEU CB . 18607 1 467 . 1 1 40 40 LEU CG C 13 26.882 . . 1 . . . A 58 LEU CG . 18607 1 468 . 1 1 40 40 LEU CD1 C 13 25.945 . . 2 . . . A 58 LEU CD1 . 18607 1 469 . 1 1 40 40 LEU CD2 C 13 22.503 . . 2 . . . A 58 LEU CD2 . 18607 1 470 . 1 1 40 40 LEU N N 15 129.411 . . 1 . . . A 58 LEU N . 18607 1 471 . 1 1 41 41 VAL H H 1 8.755 . . 1 . . . A 59 VAL H . 18607 1 472 . 1 1 41 41 VAL HA H 1 4.195 . . 1 . . . A 59 VAL HA . 18607 1 473 . 1 1 41 41 VAL HB H 1 0.424 . . 1 . . . A 59 VAL HB . 18607 1 474 . 1 1 41 41 VAL HG11 H 1 0.193 . . 2 . . . A 59 VAL HG11 . 18607 1 475 . 1 1 41 41 VAL HG12 H 1 0.193 . . 2 . . . A 59 VAL HG12 . 18607 1 476 . 1 1 41 41 VAL HG13 H 1 0.193 . . 2 . . . A 59 VAL HG13 . 18607 1 477 . 1 1 41 41 VAL HG21 H 1 -0.545 . . 2 . . . A 59 VAL HG21 . 18607 1 478 . 1 1 41 41 VAL HG22 H 1 -0.545 . . 2 . . . A 59 VAL HG22 . 18607 1 479 . 1 1 41 41 VAL HG23 H 1 -0.545 . . 2 . . . A 59 VAL HG23 . 18607 1 480 . 1 1 41 41 VAL C C 13 177.461 . . 1 . . . A 59 VAL C . 18607 1 481 . 1 1 41 41 VAL CA C 13 60.673 . . 1 . . . A 59 VAL CA . 18607 1 482 . 1 1 41 41 VAL CB C 13 32.167 . . 1 . . . A 59 VAL CB . 18607 1 483 . 1 1 41 41 VAL CG1 C 13 21.705 . . 2 . . . A 59 VAL CG1 . 18607 1 484 . 1 1 41 41 VAL CG2 C 13 17.895 . . 2 . . . A 59 VAL CG2 . 18607 1 485 . 1 1 41 41 VAL N N 15 121.357 . . 1 . . . A 59 VAL N . 18607 1 486 . 1 1 42 42 ALA H H 1 6.845 . . 1 . . . A 60 ALA H . 18607 1 487 . 1 1 42 42 ALA HA H 1 4.193 . . 1 . . . A 60 ALA HA . 18607 1 488 . 1 1 42 42 ALA HB1 H 1 1.351 . . 1 . . . A 60 ALA HB1 . 18607 1 489 . 1 1 42 42 ALA HB2 H 1 1.351 . . 1 . . . A 60 ALA HB2 . 18607 1 490 . 1 1 42 42 ALA HB3 H 1 1.351 . . 1 . . . A 60 ALA HB3 . 18607 1 491 . 1 1 42 42 ALA C C 13 173.925 . . 1 . . . A 60 ALA C . 18607 1 492 . 1 1 42 42 ALA CA C 13 53.911 . . 1 . . . A 60 ALA CA . 18607 1 493 . 1 1 42 42 ALA CB C 13 25.315 . . 1 . . . A 60 ALA CB . 18607 1 494 . 1 1 42 42 ALA N N 15 116.276 . . 1 . . . A 60 ALA N . 18607 1 495 . 1 1 43 43 ILE H H 1 8.160 . . 1 . . . A 61 ILE H . 18607 1 496 . 1 1 43 43 ILE HA H 1 4.983 . . 1 . . . A 61 ILE HA . 18607 1 497 . 1 1 43 43 ILE HB H 1 1.645 . . 1 . . . A 61 ILE HB . 18607 1 498 . 1 1 43 43 ILE HG12 H 1 1.463 . . 2 . . . A 61 ILE HG12 . 18607 1 499 . 1 1 43 43 ILE HG13 H 1 0.776 . . 2 . . . A 61 ILE HG13 . 18607 1 500 . 1 1 43 43 ILE HG21 H 1 0.705 . . 1 . . . A 61 ILE HG21 . 18607 1 501 . 1 1 43 43 ILE HG22 H 1 0.705 . . 1 . . . A 61 ILE HG22 . 18607 1 502 . 1 1 43 43 ILE HG23 H 1 0.705 . . 1 . . . A 61 ILE HG23 . 18607 1 503 . 1 1 43 43 ILE HD11 H 1 0.718 . . 1 . . . A 61 ILE HD11 . 18607 1 504 . 1 1 43 43 ILE HD12 H 1 0.718 . . 1 . . . A 61 ILE HD12 . 18607 1 505 . 1 1 43 43 ILE HD13 H 1 0.718 . . 1 . . . A 61 ILE HD13 . 18607 1 506 . 1 1 43 43 ILE C C 13 175.706 . . 1 . . . A 61 ILE C . 18607 1 507 . 1 1 43 43 ILE CA C 13 61.489 . . 1 . . . A 61 ILE CA . 18607 1 508 . 1 1 43 43 ILE CB C 13 39.471 . . 1 . . . A 61 ILE CB . 18607 1 509 . 1 1 43 43 ILE CG1 C 13 28.432 . . 1 . . . A 61 ILE CG1 . 18607 1 510 . 1 1 43 43 ILE CG2 C 13 16.989 . . 1 . . . A 61 ILE CG2 . 18607 1 511 . 1 1 43 43 ILE CD1 C 13 13.061 . . 1 . . . A 61 ILE CD1 . 18607 1 512 . 1 1 43 43 ILE N N 15 119.208 . . 1 . . . A 61 ILE N . 18607 1 513 . 1 1 44 44 CYS H H 1 9.391 . . 1 . . . A 62 CYS H . 18607 1 514 . 1 1 44 44 CYS HA H 1 5.962 . . 1 . . . A 62 CYS HA . 18607 1 515 . 1 1 44 44 CYS HB2 H 1 2.956 . . 2 . . . A 62 CYS HB2 . 18607 1 516 . 1 1 44 44 CYS HB3 H 1 2.884 . . 2 . . . A 62 CYS HB3 . 18607 1 517 . 1 1 44 44 CYS C C 13 176.671 . . 1 . . . A 62 CYS C . 18607 1 518 . 1 1 44 44 CYS CA C 13 54.942 . . 1 . . . A 62 CYS CA . 18607 1 519 . 1 1 44 44 CYS CB C 13 51.384 . . 1 . . . A 62 CYS CB . 18607 1 520 . 1 1 44 44 CYS N N 15 122.344 . . 1 . . . A 62 CYS N . 18607 1 521 . 1 1 45 45 LYS H H 1 8.707 . . 1 . . . A 63 LYS H . 18607 1 522 . 1 1 45 45 LYS HA H 1 4.740 . . 1 . . . A 63 LYS HA . 18607 1 523 . 1 1 45 45 LYS HB2 H 1 1.624 . . 2 . . . A 63 LYS HB2 . 18607 1 524 . 1 1 45 45 LYS HB3 H 1 1.502 . . 2 . . . A 63 LYS HB3 . 18607 1 525 . 1 1 45 45 LYS HG2 H 1 1.316 . . 2 . . . A 63 LYS HG2 . 18607 1 526 . 1 1 45 45 LYS HG3 H 1 1.118 . . 2 . . . A 63 LYS HG3 . 18607 1 527 . 1 1 45 45 LYS HD2 H 1 1.568 . . 2 . . . A 63 LYS HD2 . 18607 1 528 . 1 1 45 45 LYS HE2 H 1 2.845 . . 2 . . . A 63 LYS HE2 . 18607 1 529 . 1 1 45 45 LYS C C 13 171.989 . . 1 . . . A 63 LYS C . 18607 1 530 . 1 1 45 45 LYS CA C 13 55.208 . . 1 . . . A 63 LYS CA . 18607 1 531 . 1 1 45 45 LYS CB C 13 36.674 . . 1 . . . A 63 LYS CB . 18607 1 532 . 1 1 45 45 LYS CG C 13 24.028 . . 1 . . . A 63 LYS CG . 18607 1 533 . 1 1 45 45 LYS CD C 13 29.630 . . 1 . . . A 63 LYS CD . 18607 1 534 . 1 1 45 45 LYS CE C 13 41.934 . . 1 . . . A 63 LYS CE . 18607 1 535 . 1 1 45 45 LYS N N 15 117.453 . . 1 . . . A 63 LYS N . 18607 1 536 . 1 1 46 46 ASN H H 1 10.435 . . 1 . . . A 64 ASN H . 18607 1 537 . 1 1 46 46 ASN HA H 1 4.965 . . 1 . . . A 64 ASN HA . 18607 1 538 . 1 1 46 46 ASN HB2 H 1 2.598 . . 2 . . . A 64 ASN HB2 . 18607 1 539 . 1 1 46 46 ASN HB3 H 1 2.498 . . 2 . . . A 64 ASN HB3 . 18607 1 540 . 1 1 46 46 ASN HD21 H 1 8.667 . . 2 . . . A 64 ASN HD21 . 18607 1 541 . 1 1 46 46 ASN HD22 H 1 8.008 . . 2 . . . A 64 ASN HD22 . 18607 1 542 . 1 1 46 46 ASN C C 13 175.196 . . 1 . . . A 64 ASN C . 18607 1 543 . 1 1 46 46 ASN CA C 13 54.101 . . 1 . . . A 64 ASN CA . 18607 1 544 . 1 1 46 46 ASN CB C 13 41.491 . . 1 . . . A 64 ASN CB . 18607 1 545 . 1 1 46 46 ASN N N 15 125.152 . . 1 . . . A 64 ASN N . 18607 1 546 . 1 1 46 46 ASN ND2 N 15 123.897 . . 1 . . . A 64 ASN ND2 . 18607 1 547 . 1 1 47 47 ALA H H 1 8.494 . . 1 . . . A 65 ALA H . 18607 1 548 . 1 1 47 47 ALA HA H 1 3.855 . . 1 . . . A 65 ALA HA . 18607 1 549 . 1 1 47 47 ALA HB1 H 1 0.824 . . 1 . . . A 65 ALA HB1 . 18607 1 550 . 1 1 47 47 ALA HB2 H 1 0.824 . . 1 . . . A 65 ALA HB2 . 18607 1 551 . 1 1 47 47 ALA HB3 H 1 0.824 . . 1 . . . A 65 ALA HB3 . 18607 1 552 . 1 1 47 47 ALA C C 13 175.799 . . 1 . . . A 65 ALA C . 18607 1 553 . 1 1 47 47 ALA CA C 13 54.935 . . 1 . . . A 65 ALA CA . 18607 1 554 . 1 1 47 47 ALA CB C 13 18.299 . . 1 . . . A 65 ALA CB . 18607 1 555 . 1 1 47 47 ALA N N 15 128.341 . . 1 . . . A 65 ALA N . 18607 1 556 . 1 1 48 48 SER H H 1 7.312 . . 1 . . . A 66 SER H . 18607 1 557 . 1 1 48 48 SER HA H 1 5.096 . . 1 . . . A 66 SER HA . 18607 1 558 . 1 1 48 48 SER HB2 H 1 4.011 . . 2 . . . A 66 SER HB2 . 18607 1 559 . 1 1 48 48 SER HB3 H 1 3.922 . . 2 . . . A 66 SER HB3 . 18607 1 560 . 1 1 48 48 SER C C 13 176.917 . . 1 . . . A 66 SER C . 18607 1 561 . 1 1 48 48 SER CA C 13 53.510 . . 1 . . . A 66 SER CA . 18607 1 562 . 1 1 48 48 SER CB C 13 64.186 . . 1 . . . A 66 SER CB . 18607 1 563 . 1 1 48 48 SER N N 15 111.948 . . 1 . . . A 66 SER N . 18607 1 564 . 1 1 49 49 PRO HA H 1 4.556 . . 1 . . . A 67 PRO HA . 18607 1 565 . 1 1 49 49 PRO HB2 H 1 2.279 . . 2 . . . A 67 PRO HB2 . 18607 1 566 . 1 1 49 49 PRO HB3 H 1 2.091 . . 2 . . . A 67 PRO HB3 . 18607 1 567 . 1 1 49 49 PRO HG2 H 1 2.117 . . 2 . . . A 67 PRO HG2 . 18607 1 568 . 1 1 49 49 PRO HG3 H 1 1.956 . . 2 . . . A 67 PRO HG3 . 18607 1 569 . 1 1 49 49 PRO HD2 H 1 3.865 . . 2 . . . A 67 PRO HD2 . 18607 1 570 . 1 1 49 49 PRO CA C 13 62.902 . . 1 . . . A 67 PRO CA . 18607 1 571 . 1 1 49 49 PRO CB C 13 31.987 . . 1 . . . A 67 PRO CB . 18607 1 572 . 1 1 49 49 PRO CG C 13 26.710 . . 1 . . . A 67 PRO CG . 18607 1 573 . 1 1 49 49 PRO CD C 13 50.362 . . 1 . . . A 67 PRO CD . 18607 1 574 . 1 1 50 50 VAL H H 1 8.179 . . 1 . . . A 68 VAL H . 18607 1 575 . 1 1 50 50 VAL HA H 1 4.264 . . 1 . . . A 68 VAL HA . 18607 1 576 . 1 1 50 50 VAL HB H 1 1.958 . . 1 . . . A 68 VAL HB . 18607 1 577 . 1 1 50 50 VAL HG11 H 1 0.757 . . 2 . . . A 68 VAL HG11 . 18607 1 578 . 1 1 50 50 VAL HG12 H 1 0.757 . . 2 . . . A 68 VAL HG12 . 18607 1 579 . 1 1 50 50 VAL HG13 H 1 0.757 . . 2 . . . A 68 VAL HG13 . 18607 1 580 . 1 1 50 50 VAL HG21 H 1 0.713 . . 2 . . . A 68 VAL HG21 . 18607 1 581 . 1 1 50 50 VAL HG22 H 1 0.713 . . 2 . . . A 68 VAL HG22 . 18607 1 582 . 1 1 50 50 VAL HG23 H 1 0.713 . . 2 . . . A 68 VAL HG23 . 18607 1 583 . 1 1 50 50 VAL C C 13 176.385 . . 1 . . . A 68 VAL C . 18607 1 584 . 1 1 50 50 VAL CA C 13 61.970 . . 1 . . . A 68 VAL CA . 18607 1 585 . 1 1 50 50 VAL CB C 13 34.225 . . 1 . . . A 68 VAL CB . 18607 1 586 . 1 1 50 50 VAL CG1 C 13 21.608 . . 2 . . . A 68 VAL CG1 . 18607 1 587 . 1 1 50 50 VAL CG2 C 13 19.651 . . 2 . . . A 68 VAL CG2 . 18607 1 588 . 1 1 50 50 VAL N N 15 113.213 . . 1 . . . A 68 VAL N . 18607 1 589 . 1 1 51 51 HIS H H 1 7.258 . . 1 . . . A 69 HIS H . 18607 1 590 . 1 1 51 51 HIS HA H 1 4.782 . . 1 . . . A 69 HIS HA . 18607 1 591 . 1 1 51 51 HIS HB2 H 1 3.099 . . 2 . . . A 69 HIS HB2 . 18607 1 592 . 1 1 51 51 HIS HB3 H 1 2.972 . . 2 . . . A 69 HIS HB3 . 18607 1 593 . 1 1 51 51 HIS HD1 H 1 7.111 . . 1 . . . A 69 HIS HD1 . 18607 1 594 . 1 1 51 51 HIS HD2 H 1 7.111 . . 1 . . . A 69 HIS HD2 . 18607 1 595 . 1 1 51 51 HIS HE1 H 1 6.932 . . 1 . . . A 69 HIS HE1 . 18607 1 596 . 1 1 51 51 HIS C C 13 174.407 . . 1 . . . A 69 HIS C . 18607 1 597 . 1 1 51 51 HIS CA C 13 53.764 . . 1 . . . A 69 HIS CA . 18607 1 598 . 1 1 51 51 HIS CB C 13 32.061 . . 1 . . . A 69 HIS CB . 18607 1 599 . 1 1 51 51 HIS N N 15 116.383 . . 1 . . . A 69 HIS N . 18607 1 600 . 1 1 52 52 CYS H H 1 9.059 . . 1 . . . A 70 CYS H . 18607 1 601 . 1 1 52 52 CYS HA H 1 4.354 . . 1 . . . A 70 CYS HA . 18607 1 602 . 1 1 52 52 CYS HB2 H 1 2.679 . . 2 . . . A 70 CYS HB2 . 18607 1 603 . 1 1 52 52 CYS HB3 H 1 2.517 . . 2 . . . A 70 CYS HB3 . 18607 1 604 . 1 1 52 52 CYS C C 13 173.363 . . 1 . . . A 70 CYS C . 18607 1 605 . 1 1 52 52 CYS CA C 13 55.468 . . 1 . . . A 70 CYS CA . 18607 1 606 . 1 1 52 52 CYS CB C 13 37.182 . . 1 . . . A 70 CYS CB . 18607 1 607 . 1 1 52 52 CYS N N 15 123.079 . . 1 . . . A 70 CYS N . 18607 1 608 . 1 1 53 53 ASN H H 1 9.725 . . 1 . . . A 71 ASN H . 18607 1 609 . 1 1 53 53 ASN HA H 1 4.806 . . 1 . . . A 71 ASN HA . 18607 1 610 . 1 1 53 53 ASN HB2 H 1 3.004 . . 2 . . . A 71 ASN HB2 . 18607 1 611 . 1 1 53 53 ASN HB3 H 1 2.641 . . 2 . . . A 71 ASN HB3 . 18607 1 612 . 1 1 53 53 ASN HD21 H 1 7.640 . . 2 . . . A 71 ASN HD21 . 18607 1 613 . 1 1 53 53 ASN HD22 H 1 6.086 . . 2 . . . A 71 ASN HD22 . 18607 1 614 . 1 1 53 53 ASN C C 13 173.859 . . 1 . . . A 71 ASN C . 18607 1 615 . 1 1 53 53 ASN CA C 13 55.158 . . 1 . . . A 71 ASN CA . 18607 1 616 . 1 1 53 53 ASN CB C 13 38.015 . . 1 . . . A 71 ASN CB . 18607 1 617 . 1 1 53 53 ASN N N 15 124.854 . . 1 . . . A 71 ASN N . 18607 1 618 . 1 1 53 53 ASN ND2 N 15 129.874 . . 1 . . . A 71 ASN ND2 . 18607 1 619 . 1 1 54 54 TYR H H 1 9.030 . . 1 . . . A 72 TYR H . 18607 1 620 . 1 1 54 54 TYR HA H 1 4.726 . . 1 . . . A 72 TYR HA . 18607 1 621 . 1 1 54 54 TYR HB2 H 1 3.294 . . 2 . . . A 72 TYR HB2 . 18607 1 622 . 1 1 54 54 TYR HB3 H 1 3.027 . . 2 . . . A 72 TYR HB3 . 18607 1 623 . 1 1 54 54 TYR HD1 H 1 6.912 . . 3 . . . A 72 TYR HD1 . 18607 1 624 . 1 1 54 54 TYR HE1 H 1 6.686 . . 3 . . . A 72 TYR HE1 . 18607 1 625 . 1 1 54 54 TYR HE2 H 1 6.686 . . . . . . A 72 TYR HE2 . 18607 1 626 . 1 1 54 54 TYR C C 13 173.105 . . 1 . . . A 72 TYR C . 18607 1 627 . 1 1 54 54 TYR CA C 13 57.088 . . 1 . . . A 72 TYR CA . 18607 1 628 . 1 1 54 54 TYR CB C 13 38.767 . . 1 . . . A 72 TYR CB . 18607 1 629 . 1 1 54 54 TYR N N 15 121.608 . . 1 . . . A 72 TYR N . 18607 1 630 . 1 1 55 55 LEU H H 1 9.164 . . 1 . . . A 73 LEU H . 18607 1 631 . 1 1 55 55 LEU HA H 1 5.006 . . 1 . . . A 73 LEU HA . 18607 1 632 . 1 1 55 55 LEU HB2 H 1 1.845 . . 2 . . . A 73 LEU HB2 . 18607 1 633 . 1 1 55 55 LEU HB3 H 1 1.583 . . 2 . . . A 73 LEU HB3 . 18607 1 634 . 1 1 55 55 LEU HG H 1 1.691 . . 1 . . . A 73 LEU HG . 18607 1 635 . 1 1 55 55 LEU HD11 H 1 1.058 . . 2 . . . A 73 LEU HD11 . 18607 1 636 . 1 1 55 55 LEU HD12 H 1 1.058 . . 2 . . . A 73 LEU HD12 . 18607 1 637 . 1 1 55 55 LEU HD13 H 1 1.058 . . 2 . . . A 73 LEU HD13 . 18607 1 638 . 1 1 55 55 LEU HD21 H 1 0.923 . . 2 . . . A 73 LEU HD21 . 18607 1 639 . 1 1 55 55 LEU HD22 H 1 0.923 . . 2 . . . A 73 LEU HD22 . 18607 1 640 . 1 1 55 55 LEU HD23 H 1 0.923 . . 2 . . . A 73 LEU HD23 . 18607 1 641 . 1 1 55 55 LEU C C 13 171.521 . . 1 . . . A 73 LEU C . 18607 1 642 . 1 1 55 55 LEU CA C 13 53.437 . . 1 . . . A 73 LEU CA . 18607 1 643 . 1 1 55 55 LEU CB C 13 45.248 . . 1 . . . A 73 LEU CB . 18607 1 644 . 1 1 55 55 LEU CG C 13 27.108 . . 1 . . . A 73 LEU CG . 18607 1 645 . 1 1 55 55 LEU CD1 C 13 27.108 . . 2 . . . A 73 LEU CD1 . 18607 1 646 . 1 1 55 55 LEU CD2 C 13 26.427 . . 2 . . . A 73 LEU CD2 . 18607 1 647 . 1 1 55 55 LEU N N 15 118.112 . . 1 . . . A 73 LEU N . 18607 1 648 . 1 1 56 56 LYS H H 1 8.861 . . 1 . . . A 74 LYS H . 18607 1 649 . 1 1 56 56 LYS HA H 1 4.268 . . 1 . . . A 74 LYS HA . 18607 1 650 . 1 1 56 56 LYS HB2 H 1 1.897 . . 2 . . . A 74 LYS HB2 . 18607 1 651 . 1 1 56 56 LYS HB3 H 1 1.716 . . 2 . . . A 74 LYS HB3 . 18607 1 652 . 1 1 56 56 LYS HG2 H 1 1.531 . . 2 . . . A 74 LYS HG2 . 18607 1 653 . 1 1 56 56 LYS HG3 H 1 1.448 . . 2 . . . A 74 LYS HG3 . 18607 1 654 . 1 1 56 56 LYS HD2 H 1 1.776 . . 2 . . . A 74 LYS HD2 . 18607 1 655 . 1 1 56 56 LYS HD3 H 1 1.734 . . 2 . . . A 74 LYS HD3 . 18607 1 656 . 1 1 56 56 LYS HE2 H 1 3.033 . . 2 . . . A 74 LYS HE2 . 18607 1 657 . 1 1 56 56 LYS C C 13 177.000 . . 1 . . . A 74 LYS C . 18607 1 658 . 1 1 56 56 LYS CA C 13 55.653 . . 1 . . . A 74 LYS CA . 18607 1 659 . 1 1 56 56 LYS CB C 13 33.917 . . 1 . . . A 74 LYS CB . 18607 1 660 . 1 1 56 56 LYS CG C 13 24.748 . . 1 . . . A 74 LYS CG . 18607 1 661 . 1 1 56 56 LYS CD C 13 29.436 . . 1 . . . A 74 LYS CD . 18607 1 662 . 1 1 56 56 LYS CE C 13 41.954 . . 1 . . . A 74 LYS CE . 18607 1 663 . 1 1 56 56 LYS N N 15 121.270 . . 1 . . . A 74 LYS N . 18607 1 664 . 1 1 57 57 CYS H H 1 9.221 . . 1 . . . A 75 CYS H . 18607 1 665 . 1 1 57 57 CYS HA H 1 6.064 . . 1 . . . A 75 CYS HA . 18607 1 666 . 1 1 57 57 CYS HB2 H 1 3.032 . . 2 . . . A 75 CYS HB2 . 18607 1 667 . 1 1 57 57 CYS HB3 H 1 2.882 . . 2 . . . A 75 CYS HB3 . 18607 1 668 . 1 1 57 57 CYS C C 13 177.168 . . 1 . . . A 75 CYS C . 18607 1 669 . 1 1 57 57 CYS CA C 13 55.634 . . 1 . . . A 75 CYS CA . 18607 1 670 . 1 1 57 57 CYS CB C 13 48.554 . . 1 . . . A 75 CYS CB . 18607 1 671 . 1 1 57 57 CYS N N 15 122.620 . . 1 . . . A 75 CYS N . 18607 1 672 . 1 1 58 58 THR H H 1 9.691 . . 1 . . . A 76 THR H . 18607 1 673 . 1 1 58 58 THR HA H 1 4.567 . . 1 . . . A 76 THR HA . 18607 1 674 . 1 1 58 58 THR HB H 1 4.359 . . 1 . . . A 76 THR HB . 18607 1 675 . 1 1 58 58 THR HG21 H 1 1.119 . . . . . . A 76 THR HG21 . 18607 1 676 . 1 1 58 58 THR HG22 H 1 1.119 . . . . . . A 76 THR HG22 . 18607 1 677 . 1 1 58 58 THR HG23 H 1 1.119 . . . . . . A 76 THR HG23 . 18607 1 678 . 1 1 58 58 THR C C 13 173.306 . . 1 . . . A 76 THR C . 18607 1 679 . 1 1 58 58 THR CA C 13 60.220 . . 1 . . . A 76 THR CA . 18607 1 680 . 1 1 58 58 THR CB C 13 71.327 . . 1 . . . A 76 THR CB . 18607 1 681 . 1 1 58 58 THR CG2 C 13 20.559 . . 1 . . . A 76 THR CG2 . 18607 1 682 . 1 1 58 58 THR N N 15 114.324 . . 1 . . . A 76 THR N . 18607 1 683 . 1 1 59 59 ASN H H 1 8.919 . . 1 . . . A 77 ASN H . 18607 1 684 . 1 1 59 59 ASN HA H 1 4.083 . . 1 . . . A 77 ASN HA . 18607 1 685 . 1 1 59 59 ASN HB2 H 1 2.752 . . 2 . . . A 77 ASN HB2 . 18607 1 686 . 1 1 59 59 ASN HB3 H 1 2.421 . . 2 . . . A 77 ASN HB3 . 18607 1 687 . 1 1 59 59 ASN HD21 H 1 7.492 . . 2 . . . A 77 ASN HD21 . 18607 1 688 . 1 1 59 59 ASN HD22 H 1 6.914 . . 2 . . . A 77 ASN HD22 . 18607 1 689 . 1 1 59 59 ASN C C 13 172.419 . . 1 . . . A 77 ASN C . 18607 1 690 . 1 1 59 59 ASN CA C 13 54.693 . . 1 . . . A 77 ASN CA . 18607 1 691 . 1 1 59 59 ASN CB C 13 36.811 . . 1 . . . A 77 ASN CB . 18607 1 692 . 1 1 59 59 ASN N N 15 115.290 . . 1 . . . A 77 ASN N . 18607 1 693 . 1 1 59 59 ASN ND2 N 15 112.632 . . 1 . . . A 77 ASN ND2 . 18607 1 694 . 1 1 60 60 LEU H H 1 7.904 . . 1 . . . A 78 LEU H . 18607 1 695 . 1 1 60 60 LEU HA H 1 4.544 . . 1 . . . A 78 LEU HA . 18607 1 696 . 1 1 60 60 LEU HB2 H 1 1.654 . . 2 . . . A 78 LEU HB2 . 18607 1 697 . 1 1 60 60 LEU HB3 H 1 1.375 . . 2 . . . A 78 LEU HB3 . 18607 1 698 . 1 1 60 60 LEU HG H 1 1.277 . . 1 . . . A 78 LEU HG . 18607 1 699 . 1 1 60 60 LEU HD11 H 1 0.875 . . 2 . . . A 78 LEU HD11 . 18607 1 700 . 1 1 60 60 LEU HD12 H 1 0.875 . . 2 . . . A 78 LEU HD12 . 18607 1 701 . 1 1 60 60 LEU HD13 H 1 0.875 . . 2 . . . A 78 LEU HD13 . 18607 1 702 . 1 1 60 60 LEU HD21 H 1 0.699 . . 2 . . . A 78 LEU HD21 . 18607 1 703 . 1 1 60 60 LEU HD22 H 1 0.699 . . 2 . . . A 78 LEU HD22 . 18607 1 704 . 1 1 60 60 LEU HD23 H 1 0.699 . . 2 . . . A 78 LEU HD23 . 18607 1 705 . 1 1 60 60 LEU C C 13 174.153 . . 1 . . . A 78 LEU C . 18607 1 706 . 1 1 60 60 LEU CA C 13 55.001 . . 1 . . . A 78 LEU CA . 18607 1 707 . 1 1 60 60 LEU CB C 13 42.112 . . 1 . . . A 78 LEU CB . 18607 1 708 . 1 1 60 60 LEU CG C 13 27.074 . . 1 . . . A 78 LEU CG . 18607 1 709 . 1 1 60 60 LEU CD1 C 13 25.914 . . 2 . . . A 78 LEU CD1 . 18607 1 710 . 1 1 60 60 LEU CD2 C 13 24.680 . . 2 . . . A 78 LEU CD2 . 18607 1 711 . 1 1 60 60 LEU N N 15 116.956 . . 1 . . . A 78 LEU N . 18607 1 712 . 1 1 61 61 ALA H H 1 8.339 . . 1 . . . A 79 ALA H . 18607 1 713 . 1 1 61 61 ALA HA H 1 4.467 . . 1 . . . A 79 ALA HA . 18607 1 714 . 1 1 61 61 ALA HB1 H 1 1.502 . . 1 . . . A 79 ALA HB1 . 18607 1 715 . 1 1 61 61 ALA HB2 H 1 1.502 . . 1 . . . A 79 ALA HB2 . 18607 1 716 . 1 1 61 61 ALA HB3 H 1 1.502 . . 1 . . . A 79 ALA HB3 . 18607 1 717 . 1 1 61 61 ALA C C 13 178.549 . . 1 . . . A 79 ALA C . 18607 1 718 . 1 1 61 61 ALA CA C 13 50.718 . . 1 . . . A 79 ALA CA . 18607 1 719 . 1 1 61 61 ALA CB C 13 19.430 . . 1 . . . A 79 ALA CB . 18607 1 720 . 1 1 61 61 ALA N N 15 128.771 . . 1 . . . A 79 ALA N . 18607 1 721 . 1 1 62 62 ALA H H 1 8.555 . . 1 . . . A 80 ALA H . 18607 1 722 . 1 1 62 62 ALA HA H 1 4.136 . . 1 . . . A 80 ALA HA . 18607 1 723 . 1 1 62 62 ALA HB1 H 1 1.419 . . 1 . . . A 80 ALA HB1 . 18607 1 724 . 1 1 62 62 ALA HB2 H 1 1.419 . . 1 . . . A 80 ALA HB2 . 18607 1 725 . 1 1 62 62 ALA HB3 H 1 1.419 . . 1 . . . A 80 ALA HB3 . 18607 1 726 . 1 1 62 62 ALA C C 13 176.954 . . 1 . . . A 80 ALA C . 18607 1 727 . 1 1 62 62 ALA CA C 13 54.390 . . 1 . . . A 80 ALA CA . 18607 1 728 . 1 1 62 62 ALA CB C 13 18.067 . . 1 . . . A 80 ALA CB . 18607 1 729 . 1 1 62 62 ALA N N 15 123.658 . . 1 . . . A 80 ALA N . 18607 1 730 . 1 1 63 63 GLY H H 1 8.546 . . 1 . . . A 81 GLY H . 18607 1 731 . 1 1 63 63 GLY HA2 H 1 3.943 . . 2 . . . A 81 GLY HA2 . 18607 1 732 . 1 1 63 63 GLY C C 13 178.937 . . 1 . . . A 81 GLY C . 18607 1 733 . 1 1 63 63 GLY CA C 13 45.238 . . 1 . . . A 81 GLY CA . 18607 1 734 . 1 1 63 63 GLY N N 15 110.889 . . 1 . . . A 81 GLY N . 18607 1 735 . 1 1 64 64 PHE H H 1 8.310 . . 1 . . . A 82 PHE H . 18607 1 736 . 1 1 64 64 PHE HA H 1 5.434 . . 1 . . . A 82 PHE HA . 18607 1 737 . 1 1 64 64 PHE HB2 H 1 3.141 . . 2 . . . A 82 PHE HB2 . 18607 1 738 . 1 1 64 64 PHE HB3 H 1 2.524 . . 2 . . . A 82 PHE HB3 . 18607 1 739 . 1 1 64 64 PHE HD2 H 1 6.655 . . 3 . . . A 82 PHE HD2 . 18607 1 740 . 1 1 64 64 PHE HE2 H 1 7.218 . . 3 . . . A 82 PHE HE2 . 18607 1 741 . 1 1 64 64 PHE C C 13 174.615 . . 1 . . . A 82 PHE C . 18607 1 742 . 1 1 64 64 PHE CA C 13 58.093 . . 1 . . . A 82 PHE CA . 18607 1 743 . 1 1 64 64 PHE CB C 13 39.788 . . 1 . . . A 82 PHE CB . 18607 1 744 . 1 1 64 64 PHE N N 15 122.593 . . 1 . . . A 82 PHE N . 18607 1 745 . 1 1 65 65 SER H H 1 8.835 . . 1 . . . A 83 SER H . 18607 1 746 . 1 1 65 65 SER HA H 1 4.533 . . 1 . . . A 83 SER HA . 18607 1 747 . 1 1 65 65 SER HB2 H 1 3.869 . . 2 . . . A 83 SER HB2 . 18607 1 748 . 1 1 65 65 SER HB3 H 1 3.741 . . 2 . . . A 83 SER HB3 . 18607 1 749 . 1 1 65 65 SER C C 13 175.587 . . 1 . . . A 83 SER C . 18607 1 750 . 1 1 65 65 SER CA C 13 57.493 . . 1 . . . A 83 SER CA . 18607 1 751 . 1 1 65 65 SER CB C 13 65.377 . . 1 . . . A 83 SER CB . 18607 1 752 . 1 1 65 65 SER N N 15 112.745 . . 1 . . . A 83 SER N . 18607 1 753 . 1 1 66 66 ALA H H 1 8.718 . . 1 . . . A 84 ALA H . 18607 1 754 . 1 1 66 66 ALA HA H 1 4.062 . . 1 . . . A 84 ALA HA . 18607 1 755 . 1 1 66 66 ALA HB1 H 1 1.526 . . 1 . . . A 84 ALA HB1 . 18607 1 756 . 1 1 66 66 ALA HB2 H 1 1.526 . . 1 . . . A 84 ALA HB2 . 18607 1 757 . 1 1 66 66 ALA HB3 H 1 1.526 . . 1 . . . A 84 ALA HB3 . 18607 1 758 . 1 1 66 66 ALA C C 13 171.444 . . 1 . . . A 84 ALA C . 18607 1 759 . 1 1 66 66 ALA CA C 13 54.183 . . 1 . . . A 84 ALA CA . 18607 1 760 . 1 1 66 66 ALA CB C 13 20.719 . . 1 . . . A 84 ALA CB . 18607 1 761 . 1 1 66 66 ALA N N 15 121.928 . . 1 . . . A 84 ALA N . 18607 1 762 . 1 1 67 67 GLY H H 1 7.922 . . 1 . . . A 85 GLY H . 18607 1 763 . 1 1 67 67 GLY HA2 H 1 4.526 . . 2 . . . A 85 GLY HA2 . 18607 1 764 . 1 1 67 67 GLY HA3 H 1 3.488 . . 2 . . . A 85 GLY HA3 . 18607 1 765 . 1 1 67 67 GLY C C 13 178.281 . . 1 . . . A 85 GLY C . 18607 1 766 . 1 1 67 67 GLY CA C 13 44.408 . . 1 . . . A 85 GLY CA . 18607 1 767 . 1 1 67 67 GLY N N 15 112.391 . . 1 . . . A 85 GLY N . 18607 1 768 . 1 1 68 68 THR H H 1 8.151 . . 1 . . . A 86 THR H . 18607 1 769 . 1 1 68 68 THR HA H 1 4.445 . . 1 . . . A 86 THR HA . 18607 1 770 . 1 1 68 68 THR HB H 1 4.401 . . 1 . . . A 86 THR HB . 18607 1 771 . 1 1 68 68 THR HG21 H 1 1.258 . . . . . . A 86 THR HG21 . 18607 1 772 . 1 1 68 68 THR HG22 H 1 1.258 . . . . . . A 86 THR HG22 . 18607 1 773 . 1 1 68 68 THR HG23 H 1 1.258 . . . . . . A 86 THR HG23 . 18607 1 774 . 1 1 68 68 THR C C 13 172.786 . . 1 . . . A 86 THR C . 18607 1 775 . 1 1 68 68 THR CA C 13 60.860 . . 1 . . . A 86 THR CA . 18607 1 776 . 1 1 68 68 THR CB C 13 71.767 . . 1 . . . A 86 THR CB . 18607 1 777 . 1 1 68 68 THR CG2 C 13 22.522 . . 1 . . . A 86 THR CG2 . 18607 1 778 . 1 1 68 68 THR N N 15 110.711 . . 1 . . . A 86 THR N . 18607 1 779 . 1 1 69 69 SER H H 1 8.077 . . 1 . . . A 87 SER H . 18607 1 780 . 1 1 69 69 SER HA H 1 5.424 . . 1 . . . A 87 SER HA . 18607 1 781 . 1 1 69 69 SER HB2 H 1 3.417 . . 2 . . . A 87 SER HB2 . 18607 1 782 . 1 1 69 69 SER HB3 H 1 3.252 . . 2 . . . A 87 SER HB3 . 18607 1 783 . 1 1 69 69 SER C C 13 173.074 . . 1 . . . A 87 SER C . 18607 1 784 . 1 1 69 69 SER CA C 13 55.086 . . 1 . . . A 87 SER CA . 18607 1 785 . 1 1 69 69 SER CB C 13 64.526 . . 1 . . . A 87 SER CB . 18607 1 786 . 1 1 69 69 SER N N 15 113.274 . . 1 . . . A 87 SER N . 18607 1 787 . 1 1 70 70 THR H H 1 8.571 . . 1 . . . A 88 THR H . 18607 1 788 . 1 1 70 70 THR HA H 1 4.804 . . 1 . . . A 88 THR HA . 18607 1 789 . 1 1 70 70 THR HB H 1 4.442 . . 1 . . . A 88 THR HB . 18607 1 790 . 1 1 70 70 THR HG21 H 1 1.232 . . . . . . A 88 THR HG21 . 18607 1 791 . 1 1 70 70 THR HG22 H 1 1.232 . . . . . . A 88 THR HG22 . 18607 1 792 . 1 1 70 70 THR HG23 H 1 1.232 . . . . . . A 88 THR HG23 . 18607 1 793 . 1 1 70 70 THR C C 13 175.469 . . 1 . . . A 88 THR C . 18607 1 794 . 1 1 70 70 THR CA C 13 58.683 . . 1 . . . A 88 THR CA . 18607 1 795 . 1 1 70 70 THR CB C 13 72.012 . . 1 . . . A 88 THR CB . 18607 1 796 . 1 1 70 70 THR CG2 C 13 22.134 . . 1 . . . A 88 THR CG2 . 18607 1 797 . 1 1 70 70 THR N N 15 113.695 . . 1 . . . A 88 THR N . 18607 1 798 . 1 1 71 71 ASP H H 1 8.653 . . 1 . . . A 89 ASP H . 18607 1 799 . 1 1 71 71 ASP HA H 1 4.918 . . 1 . . . A 89 ASP HA . 18607 1 800 . 1 1 71 71 ASP HB2 H 1 2.626 . . 2 . . . A 89 ASP HB2 . 18607 1 801 . 1 1 71 71 ASP HB3 H 1 2.437 . . 2 . . . A 89 ASP HB3 . 18607 1 802 . 1 1 71 71 ASP C C 13 173.794 . . 1 . . . A 89 ASP C . 18607 1 803 . 1 1 71 71 ASP CA C 13 55.399 . . 1 . . . A 89 ASP CA . 18607 1 804 . 1 1 71 71 ASP CB C 13 41.891 . . 1 . . . A 89 ASP CB . 18607 1 805 . 1 1 71 71 ASP N N 15 121.623 . . 1 . . . A 89 ASP N . 18607 1 806 . 1 1 72 72 VAL H H 1 8.101 . . 1 . . . A 90 VAL H . 18607 1 807 . 1 1 72 72 VAL HA H 1 3.986 . . 1 . . . A 90 VAL HA . 18607 1 808 . 1 1 72 72 VAL HB H 1 1.911 . . 1 . . . A 90 VAL HB . 18607 1 809 . 1 1 72 72 VAL HG11 H 1 0.742 . . 2 . . . A 90 VAL HG11 . 18607 1 810 . 1 1 72 72 VAL HG12 H 1 0.742 . . 2 . . . A 90 VAL HG12 . 18607 1 811 . 1 1 72 72 VAL HG13 H 1 0.742 . . 2 . . . A 90 VAL HG13 . 18607 1 812 . 1 1 72 72 VAL HG21 H 1 0.723 . . 2 . . . A 90 VAL HG21 . 18607 1 813 . 1 1 72 72 VAL HG22 H 1 0.723 . . 2 . . . A 90 VAL HG22 . 18607 1 814 . 1 1 72 72 VAL HG23 H 1 0.723 . . 2 . . . A 90 VAL HG23 . 18607 1 815 . 1 1 72 72 VAL C C 13 177.366 . . 1 . . . A 90 VAL C . 18607 1 816 . 1 1 72 72 VAL CA C 13 62.581 . . 1 . . . A 90 VAL CA . 18607 1 817 . 1 1 72 72 VAL CB C 13 32.141 . . 1 . . . A 90 VAL CB . 18607 1 818 . 1 1 72 72 VAL CG1 C 13 21.040 . . 2 . . . A 90 VAL CG1 . 18607 1 819 . 1 1 72 72 VAL CG2 C 13 21.126 . . 2 . . . A 90 VAL CG2 . 18607 1 820 . 1 1 72 72 VAL N N 15 121.432 . . 1 . . . A 90 VAL N . 18607 1 821 . 1 1 73 73 LEU H H 1 8.664 . . 1 . . . A 91 LEU H . 18607 1 822 . 1 1 73 73 LEU HA H 1 4.396 . . 1 . . . A 91 LEU HA . 18607 1 823 . 1 1 73 73 LEU HB2 H 1 1.651 . . 2 . . . A 91 LEU HB2 . 18607 1 824 . 1 1 73 73 LEU HB3 H 1 1.561 . . 2 . . . A 91 LEU HB3 . 18607 1 825 . 1 1 73 73 LEU HG H 1 1.612 . . 1 . . . A 91 LEU HG . 18607 1 826 . 1 1 73 73 LEU HD11 H 1 0.915 . . 2 . . . A 91 LEU HD11 . 18607 1 827 . 1 1 73 73 LEU HD12 H 1 0.915 . . 2 . . . A 91 LEU HD12 . 18607 1 828 . 1 1 73 73 LEU HD13 H 1 0.915 . . 2 . . . A 91 LEU HD13 . 18607 1 829 . 1 1 73 73 LEU HD21 H 1 0.847 . . 2 . . . A 91 LEU HD21 . 18607 1 830 . 1 1 73 73 LEU HD22 H 1 0.847 . . 2 . . . A 91 LEU HD22 . 18607 1 831 . 1 1 73 73 LEU HD23 H 1 0.847 . . 2 . . . A 91 LEU HD23 . 18607 1 832 . 1 1 73 73 LEU C C 13 176.317 . . 1 . . . A 91 LEU C . 18607 1 833 . 1 1 73 73 LEU CA C 13 54.981 . . 1 . . . A 91 LEU CA . 18607 1 834 . 1 1 73 73 LEU CB C 13 42.041 . . 1 . . . A 91 LEU CB . 18607 1 835 . 1 1 73 73 LEU CG C 13 26.975 . . 1 . . . A 91 LEU CG . 18607 1 836 . 1 1 73 73 LEU CD1 C 13 25.001 . . 2 . . . A 91 LEU CD1 . 18607 1 837 . 1 1 73 73 LEU CD2 C 13 23.120 . . 2 . . . A 91 LEU CD2 . 18607 1 838 . 1 1 73 73 LEU N N 15 125.852 . . 1 . . . A 91 LEU N . 18607 1 839 . 1 1 74 74 SER H H 1 8.307 . . 1 . . . A 92 SER H . 18607 1 840 . 1 1 74 74 SER C C 13 177.511 . . 1 . . . A 92 SER C . 18607 1 841 . 1 1 74 74 SER CA C 13 58.285 . . 1 . . . A 92 SER CA . 18607 1 842 . 1 1 74 74 SER CB C 13 63.769 . . 1 . . . A 92 SER CB . 18607 1 843 . 1 1 74 74 SER N N 15 116.813 . . 1 . . . A 92 SER N . 18607 1 844 . 1 1 75 75 SER H H 1 8.368 . . 1 . . . A 93 SER H . 18607 1 845 . 1 1 75 75 SER C C 13 174.623 . . 1 . . . A 93 SER C . 18607 1 846 . 1 1 75 75 SER CA C 13 58.507 . . 1 . . . A 93 SER CA . 18607 1 847 . 1 1 75 75 SER CB C 13 63.807 . . 1 . . . A 93 SER CB . 18607 1 848 . 1 1 75 75 SER N N 15 117.932 . . 1 . . . A 93 SER N . 18607 1 849 . 1 1 76 76 GLY H H 1 8.414 . . 1 . . . A 94 GLY H . 18607 1 850 . 1 1 76 76 GLY HA2 H 1 3.992 . . 2 . . . A 94 GLY HA2 . 18607 1 851 . 1 1 76 76 GLY C C 13 174.927 . . 1 . . . A 94 GLY C . 18607 1 852 . 1 1 76 76 GLY CA C 13 45.281 . . 1 . . . A 94 GLY CA . 18607 1 853 . 1 1 76 76 GLY N N 15 110.759 . . 1 . . . A 94 GLY N . 18607 1 854 . 1 1 77 77 THR H H 1 8.098 . . 1 . . . A 95 THR H . 18607 1 855 . 1 1 77 77 THR HA H 1 4.346 . . 1 . . . A 95 THR HA . 18607 1 856 . 1 1 77 77 THR HB H 1 4.161 . . 1 . . . A 95 THR HB . 18607 1 857 . 1 1 77 77 THR HG21 H 1 1.142 . . . . . . A 95 THR HG21 . 18607 1 858 . 1 1 77 77 THR HG22 H 1 1.142 . . . . . . A 95 THR HG22 . 18607 1 859 . 1 1 77 77 THR HG23 H 1 1.142 . . . . . . A 95 THR HG23 . 18607 1 860 . 1 1 77 77 THR C C 13 174.162 . . 1 . . . A 95 THR C . 18607 1 861 . 1 1 77 77 THR CA C 13 61.797 . . 1 . . . A 95 THR CA . 18607 1 862 . 1 1 77 77 THR CB C 13 69.854 . . 1 . . . A 95 THR CB . 18607 1 863 . 1 1 77 77 THR CG2 C 13 21.609 . . 1 . . . A 95 THR CG2 . 18607 1 864 . 1 1 77 77 THR N N 15 114.335 . . 1 . . . A 95 THR N . 18607 1 865 . 1 1 78 78 VAL H H 1 8.264 . . 1 . . . A 96 VAL H . 18607 1 866 . 1 1 78 78 VAL HA H 1 4.078 . . 1 . . . A 96 VAL HA . 18607 1 867 . 1 1 78 78 VAL HB H 1 2.046 . . 1 . . . A 96 VAL HB . 18607 1 868 . 1 1 78 78 VAL HG11 H 1 0.918 . . 2 . . . A 96 VAL HG11 . 18607 1 869 . 1 1 78 78 VAL HG12 H 1 0.918 . . 2 . . . A 96 VAL HG12 . 18607 1 870 . 1 1 78 78 VAL HG13 H 1 0.918 . . 2 . . . A 96 VAL HG13 . 18607 1 871 . 1 1 78 78 VAL C C 13 174.725 . . 1 . . . A 96 VAL C . 18607 1 872 . 1 1 78 78 VAL CA C 13 62.658 . . 1 . . . A 96 VAL CA . 18607 1 873 . 1 1 78 78 VAL CB C 13 32.619 . . 1 . . . A 96 VAL CB . 18607 1 874 . 1 1 78 78 VAL CG1 C 13 20.821 . . 2 . . . A 96 VAL CG1 . 18607 1 875 . 1 1 78 78 VAL N N 15 123.267 . . 1 . . . A 96 VAL N . 18607 1 876 . 1 1 79 79 GLY H H 1 8.532 . . 1 . . . A 97 GLY H . 18607 1 877 . 1 1 79 79 GLY C C 13 176.567 . . 1 . . . A 97 GLY C . 18607 1 878 . 1 1 79 79 GLY CA C 13 45.195 . . 1 . . . A 97 GLY CA . 18607 1 879 . 1 1 79 79 GLY N N 15 113.773 . . 1 . . . A 97 GLY N . 18607 1 880 . 1 1 80 80 SER H H 1 7.875 . . 1 . . . A 98 SER H . 18607 1 881 . 1 1 80 80 SER C C 13 173.272 . . 1 . . . A 98 SER C . 18607 1 882 . 1 1 80 80 SER CA C 13 59.823 . . 1 . . . A 98 SER CA . 18607 1 883 . 1 1 80 80 SER CB C 13 64.796 . . 1 . . . A 98 SER CB . 18607 1 884 . 1 1 80 80 SER N N 15 121.423 . . 1 . . . A 98 SER N . 18607 1 stop_ save_