data_25825 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25825 _Entry.Title ; UBL protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-09-23 _Entry.Accession_date 2015-09-23 _Entry.Last_release_date 2016-07-18 _Entry.Original_release_date 2016-07-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _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.ORCID _Entry_author.Entry_ID 1 Xiang Chen . . . . 25825 2 Kylie Walters . J. . . 25825 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25825 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 404 25825 '15N chemical shifts' 98 25825 '1H chemical shifts' 675 25825 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 . . 2016-07-18 . original BMRB . 25825 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25825 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; UBL protein ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Xiang Chen . . . . 25825 1 2 Kylie Walters . J. . . 25825 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25825 _Assembly.ID 1 _Assembly.Name 'UBL protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 'UBL protein, 1' 1 $UBL_protein A . yes native no no . . . 25825 1 2 'UBL protein, 2' 1 $UBL_protein A . yes native no no . . . 25825 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_UBL_protein _Entity.Sf_category entity _Entity.Sf_framecode UBL_protein _Entity.Entry_ID 25825 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name UBL_protein _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MVSLTFKNFKKEKVPLDLEP SNTILETKTKLAQSISCEES QIKLIYSGKVLQDSKTVSEC GLKDGDQVVFMVSQKKSTDP NSSSVDKLAAALEHHHHHH ; _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 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . 25825 1 2 . VAL . 25825 1 3 . SER . 25825 1 4 . LEU . 25825 1 5 . THR . 25825 1 6 . PHE . 25825 1 7 . LYS . 25825 1 8 . ASN . 25825 1 9 . PHE . 25825 1 10 . LYS . 25825 1 11 . LYS . 25825 1 12 . GLU . 25825 1 13 . LYS . 25825 1 14 . VAL . 25825 1 15 . PRO . 25825 1 16 . LEU . 25825 1 17 . ASP . 25825 1 18 . LEU . 25825 1 19 . GLU . 25825 1 20 . PRO . 25825 1 21 . SER . 25825 1 22 . ASN . 25825 1 23 . THR . 25825 1 24 . ILE . 25825 1 25 . LEU . 25825 1 26 . GLU . 25825 1 27 . THR . 25825 1 28 . LYS . 25825 1 29 . THR . 25825 1 30 . LYS . 25825 1 31 . LEU . 25825 1 32 . ALA . 25825 1 33 . GLN . 25825 1 34 . SER . 25825 1 35 . ILE . 25825 1 36 . SER . 25825 1 37 . CYS . 25825 1 38 . GLU . 25825 1 39 . GLU . 25825 1 40 . SER . 25825 1 41 . GLN . 25825 1 42 . ILE . 25825 1 43 . LYS . 25825 1 44 . LEU . 25825 1 45 . ILE . 25825 1 46 . TYR . 25825 1 47 . SER . 25825 1 48 . GLY . 25825 1 49 . LYS . 25825 1 50 . VAL . 25825 1 51 . LEU . 25825 1 52 . GLN . 25825 1 53 . ASP . 25825 1 54 . SER . 25825 1 55 . LYS . 25825 1 56 . THR . 25825 1 57 . VAL . 25825 1 58 . SER . 25825 1 59 . GLU . 25825 1 60 . CYS . 25825 1 61 . GLY . 25825 1 62 . LEU . 25825 1 63 . LYS . 25825 1 64 . ASP . 25825 1 65 . GLY . 25825 1 66 . ASP . 25825 1 67 . GLN . 25825 1 68 . VAL . 25825 1 69 . VAL . 25825 1 70 . PHE . 25825 1 71 . MET . 25825 1 72 . VAL . 25825 1 73 . SER . 25825 1 74 . GLN . 25825 1 75 . LYS . 25825 1 76 . LYS . 25825 1 77 . SER . 25825 1 78 . THR . 25825 1 79 . ASP . 25825 1 80 . PRO . 25825 1 81 . ASN . 25825 1 82 . SER . 25825 1 83 . SER . 25825 1 84 . SER . 25825 1 85 . VAL . 25825 1 86 . ASP . 25825 1 87 . LYS . 25825 1 88 . LEU . 25825 1 89 . ALA . 25825 1 90 . ALA . 25825 1 91 . ALA . 25825 1 92 . LEU . 25825 1 93 . GLU . 25825 1 94 . HIS . 25825 1 95 . HIS . 25825 1 96 . HIS . 25825 1 97 . HIS . 25825 1 98 . HIS . 25825 1 99 . HIS . 25825 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 25825 1 . VAL 2 2 25825 1 . SER 3 3 25825 1 . LEU 4 4 25825 1 . THR 5 5 25825 1 . PHE 6 6 25825 1 . LYS 7 7 25825 1 . ASN 8 8 25825 1 . PHE 9 9 25825 1 . LYS 10 10 25825 1 . LYS 11 11 25825 1 . GLU 12 12 25825 1 . LYS 13 13 25825 1 . VAL 14 14 25825 1 . PRO 15 15 25825 1 . LEU 16 16 25825 1 . ASP 17 17 25825 1 . LEU 18 18 25825 1 . GLU 19 19 25825 1 . PRO 20 20 25825 1 . SER 21 21 25825 1 . ASN 22 22 25825 1 . THR 23 23 25825 1 . ILE 24 24 25825 1 . LEU 25 25 25825 1 . GLU 26 26 25825 1 . THR 27 27 25825 1 . LYS 28 28 25825 1 . THR 29 29 25825 1 . LYS 30 30 25825 1 . LEU 31 31 25825 1 . ALA 32 32 25825 1 . GLN 33 33 25825 1 . SER 34 34 25825 1 . ILE 35 35 25825 1 . SER 36 36 25825 1 . CYS 37 37 25825 1 . GLU 38 38 25825 1 . GLU 39 39 25825 1 . SER 40 40 25825 1 . GLN 41 41 25825 1 . ILE 42 42 25825 1 . LYS 43 43 25825 1 . LEU 44 44 25825 1 . ILE 45 45 25825 1 . TYR 46 46 25825 1 . SER 47 47 25825 1 . GLY 48 48 25825 1 . LYS 49 49 25825 1 . VAL 50 50 25825 1 . LEU 51 51 25825 1 . GLN 52 52 25825 1 . ASP 53 53 25825 1 . SER 54 54 25825 1 . LYS 55 55 25825 1 . THR 56 56 25825 1 . VAL 57 57 25825 1 . SER 58 58 25825 1 . GLU 59 59 25825 1 . CYS 60 60 25825 1 . GLY 61 61 25825 1 . LEU 62 62 25825 1 . LYS 63 63 25825 1 . ASP 64 64 25825 1 . GLY 65 65 25825 1 . ASP 66 66 25825 1 . GLN 67 67 25825 1 . VAL 68 68 25825 1 . VAL 69 69 25825 1 . PHE 70 70 25825 1 . MET 71 71 25825 1 . VAL 72 72 25825 1 . SER 73 73 25825 1 . GLN 74 74 25825 1 . LYS 75 75 25825 1 . LYS 76 76 25825 1 . SER 77 77 25825 1 . THR 78 78 25825 1 . ASP 79 79 25825 1 . PRO 80 80 25825 1 . ASN 81 81 25825 1 . SER 82 82 25825 1 . SER 83 83 25825 1 . SER 84 84 25825 1 . VAL 85 85 25825 1 . ASP 86 86 25825 1 . LYS 87 87 25825 1 . LEU 88 88 25825 1 . ALA 89 89 25825 1 . ALA 90 90 25825 1 . ALA 91 91 25825 1 . LEU 92 92 25825 1 . GLU 93 93 25825 1 . HIS 94 94 25825 1 . HIS 95 95 25825 1 . HIS 96 96 25825 1 . HIS 97 97 25825 1 . HIS 98 98 25825 1 . HIS 99 99 25825 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 25825 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $UBL_protein . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 25825 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 25825 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $UBL_protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET23a . . . 25825 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25825 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'UBL protein' '[U-100% 13C; U-100% 15N]' . . 1 $UBL_protein . . 0.7 . . mM . . . . 25825 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25825 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25825 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 25825 1 5 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 25825 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25825 _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 'UBL protein' '[U-100% 13C; U-100% 15N]' . . 1 $UBL_protein . . 0.7 . . mM . . . . 25825 2 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25825 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25825 2 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 25825 2 5 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 25825 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 25825 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 25825 1 pH 6.5 . pH 25825 1 pressure 1 . atm 25825 1 temperature 298 . K 25825 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25825 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25825 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25825 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25825 _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' . . 25825 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25825 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 25825 _Software.ID 3 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 25825 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25825 3 'data analysis' 25825 3 'peak picking' 25825 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25825 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25825 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25825 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 25825 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25825 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 25825 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 25825 1 2 spectrometer_2 Bruker Avance . 700 . . . 25825 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 25825 _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 . . . . . . . . . . . . . . . . 25825 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25825 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25825 1 4 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25825 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25825 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25825 1 7 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25825 1 8 '3D HCCH-TCOSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25825 1 9 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25825 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25825 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 25825 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25825 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25825 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25825 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 25825 _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' . . . 25825 1 2 '3D HNCACB' . . . 25825 1 3 '3D CBCA(CO)NH' . . . 25825 1 4 '3D HNCACO' . . . 25825 1 5 '3D HNCO' . . . 25825 1 6 '3D 1H-15N NOESY' . . . 25825 1 7 '2D 1H-13C HSQC aliphatic' . . . 25825 1 8 '3D HCCH-TCOSY' . . . 25825 1 10 '3D 1H-13C NOESY aliphatic' . . . 25825 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 HA H 1 4.154 0 . 1 . . . . 1 MET HA . 25825 1 2 . 1 1 1 1 MET HB2 H 1 2.077 0 . 2 . . . . 1 MET QB . 25825 1 3 . 1 1 1 1 MET HB3 H 1 2.077 0 . 2 . . . . 1 MET QB . 25825 1 4 . 1 1 1 1 MET HG2 H 1 2.558 0 . 2 . . . . 1 MET HG2 . 25825 1 5 . 1 1 1 1 MET HG3 H 1 2.451 0 . 2 . . . . 1 MET HG3 . 25825 1 6 . 1 1 1 1 MET HE1 H 1 1.965 0 . 1 . . . . 1 MET HE# . 25825 1 7 . 1 1 1 1 MET HE2 H 1 1.965 0 . 1 . . . . 1 MET HE# . 25825 1 8 . 1 1 1 1 MET HE3 H 1 1.965 0 . 1 . . . . 1 MET HE# . 25825 1 9 . 1 1 1 1 MET C C 13 171.871 0 . 1 . . . . 1 MET C . 25825 1 10 . 1 1 1 1 MET CA C 13 55.083 0 . 1 . . . . 1 MET CA . 25825 1 11 . 1 1 1 1 MET CB C 13 33.708 0 . 1 . . . . 1 MET CB . 25825 1 12 . 1 1 1 1 MET CG C 13 31.458 0 . 1 . . . . 1 MET CG . 25825 1 13 . 1 1 1 1 MET CE C 13 17.105 0 . 1 . . . . 1 MET CE . 25825 1 14 . 1 1 2 2 VAL H H 1 9.333 0 . 1 . . . . 2 VAL HN . 25825 1 15 . 1 1 2 2 VAL HA H 1 4.45 0 . 1 . . . . 2 VAL HA . 25825 1 16 . 1 1 2 2 VAL HB H 1 1.739 0 . 1 . . . . 2 VAL HB . 25825 1 17 . 1 1 2 2 VAL HG11 H 1 0.71 0 . 2 . . . . 2 VAL QG1 . 25825 1 18 . 1 1 2 2 VAL HG12 H 1 0.71 0 . 2 . . . . 2 VAL QG1 . 25825 1 19 . 1 1 2 2 VAL HG13 H 1 0.71 0 . 2 . . . . 2 VAL QG1 . 25825 1 20 . 1 1 2 2 VAL HG21 H 1 0.681 0 . 2 . . . . 2 VAL QG2 . 25825 1 21 . 1 1 2 2 VAL HG22 H 1 0.681 0 . 2 . . . . 2 VAL QG2 . 25825 1 22 . 1 1 2 2 VAL HG23 H 1 0.681 0 . 2 . . . . 2 VAL QG2 . 25825 1 23 . 1 1 2 2 VAL C C 13 173.994 0 . 1 . . . . 2 VAL C . 25825 1 24 . 1 1 2 2 VAL CA C 13 60.544 0 . 1 . . . . 2 VAL CA . 25825 1 25 . 1 1 2 2 VAL CB C 13 33.938 0 . 1 . . . . 2 VAL CB . 25825 1 26 . 1 1 2 2 VAL CG1 C 13 21.334 0 . 2 . . . . 2 VAL CG1 . 25825 1 27 . 1 1 2 2 VAL CG2 C 13 19.53 0 . 2 . . . . 2 VAL CG2 . 25825 1 28 . 1 1 2 2 VAL N N 15 119.563 0 . 1 . . . . 2 VAL N . 25825 1 29 . 1 1 3 3 SER H H 1 9.134 0 . 1 . . . . 3 SER HN . 25825 1 30 . 1 1 3 3 SER HA H 1 5.299 0 . 1 . . . . 3 SER HA . 25825 1 31 . 1 1 3 3 SER HB2 H 1 3.902 0 . 2 . . . . 3 SER HB2 . 25825 1 32 . 1 1 3 3 SER HB3 H 1 3.721 0 . 2 . . . . 3 SER HB3 . 25825 1 33 . 1 1 3 3 SER C C 13 173.906 0 . 1 . . . . 3 SER C . 25825 1 34 . 1 1 3 3 SER CA C 13 57.333 0 . 1 . . . . 3 SER CA . 25825 1 35 . 1 1 3 3 SER CB C 13 62.958 0 . 1 . . . . 3 SER CB . 25825 1 36 . 1 1 3 3 SER N N 15 122.047 0 . 1 . . . . 3 SER N . 25825 1 37 . 1 1 4 4 LEU H H 1 8.762 0 . 1 . . . . 4 LEU HN . 25825 1 38 . 1 1 4 4 LEU HA H 1 4.982 0 . 1 . . . . 4 LEU HA . 25825 1 39 . 1 1 4 4 LEU HB2 H 1 1.62 0 . 2 . . . . 4 LEU HB2 . 25825 1 40 . 1 1 4 4 LEU HB3 H 1 0.781 0 . 2 . . . . 4 LEU HB3 . 25825 1 41 . 1 1 4 4 LEU HG H 1 1.487 0 . 1 . . . . 4 LEU HG . 25825 1 42 . 1 1 4 4 LEU HD11 H 1 0.66 0 . 2 . . . . 4 LEU QD1 . 25825 1 43 . 1 1 4 4 LEU HD12 H 1 0.66 0 . 2 . . . . 4 LEU QD1 . 25825 1 44 . 1 1 4 4 LEU HD13 H 1 0.66 0 . 2 . . . . 4 LEU QD1 . 25825 1 45 . 1 1 4 4 LEU HD21 H 1 0.668 0 . 2 . . . . 4 LEU QD2 . 25825 1 46 . 1 1 4 4 LEU HD22 H 1 0.668 0 . 2 . . . . 4 LEU QD2 . 25825 1 47 . 1 1 4 4 LEU HD23 H 1 0.668 0 . 2 . . . . 4 LEU QD2 . 25825 1 48 . 1 1 4 4 LEU C C 13 176.473 0 . 1 . . . . 4 LEU C . 25825 1 49 . 1 1 4 4 LEU CA C 13 52.827 0 . 1 . . . . 4 LEU CA . 25825 1 50 . 1 1 4 4 LEU CB C 13 46.058 0 . 1 . . . . 4 LEU CB . 25825 1 51 . 1 1 4 4 LEU CG C 13 27.24 0 . 1 . . . . 4 LEU CG . 25825 1 52 . 1 1 4 4 LEU CD1 C 13 25.552 0 . 2 . . . . 4 LEU CD1 . 25825 1 53 . 1 1 4 4 LEU CD2 C 13 26.396 0 . 2 . . . . 4 LEU CD2 . 25825 1 54 . 1 1 4 4 LEU N N 15 126.545 0 . 1 . . . . 4 LEU N . 25825 1 55 . 1 1 5 5 THR H H 1 8 0 . 1 . . . . 5 THR HN . 25825 1 56 . 1 1 5 5 THR HA H 1 4.567 0 . 1 . . . . 5 THR HA . 25825 1 57 . 1 1 5 5 THR HB H 1 3.788 0 . 1 . . . . 5 THR HB . 25825 1 58 . 1 1 5 5 THR HG21 H 1 1.036 0 . 1 . . . . 5 THR QG2 . 25825 1 59 . 1 1 5 5 THR HG22 H 1 1.036 0 . 1 . . . . 5 THR QG2 . 25825 1 60 . 1 1 5 5 THR HG23 H 1 1.036 0 . 1 . . . . 5 THR QG2 . 25825 1 61 . 1 1 5 5 THR C C 13 172.097 0 . 1 . . . . 5 THR C . 25825 1 62 . 1 1 5 5 THR CA C 13 62.396 0 . 1 . . . . 5 THR CA . 25825 1 63 . 1 1 5 5 THR CB C 13 70.552 0 . 1 . . . . 5 THR CB . 25825 1 64 . 1 1 5 5 THR CG2 C 13 21.615 0 . 1 . . . . 5 THR CG2 . 25825 1 65 . 1 1 5 5 THR N N 15 115.973 0 . 1 . . . . 5 THR N . 25825 1 66 . 1 1 6 6 PHE H H 1 8.626 0 . 1 . . . . 6 PHE HN . 25825 1 67 . 1 1 6 6 PHE HA H 1 5.477 0 . 1 . . . . 6 PHE HA . 25825 1 68 . 1 1 6 6 PHE HB2 H 1 3.163 0 . 2 . . . . 6 PHE HB2 . 25825 1 69 . 1 1 6 6 PHE HB3 H 1 2.878 0 . 2 . . . . 6 PHE HB3 . 25825 1 70 . 1 1 6 6 PHE HD1 H 1 7.165 0 . 3 . . . . 6 PHE QD . 25825 1 71 . 1 1 6 6 PHE HD2 H 1 7.165 0 . 3 . . . . 6 PHE QD . 25825 1 72 . 1 1 6 6 PHE HE1 H 1 7.003 0 . 3 . . . . 6 PHE QE . 25825 1 73 . 1 1 6 6 PHE HE2 H 1 7.003 0 . 3 . . . . 6 PHE QE . 25825 1 74 . 1 1 6 6 PHE HZ H 1 6.78 0 . 1 . . . . 6 PHE HZ . 25825 1 75 . 1 1 6 6 PHE C C 13 174.808 0 . 1 . . . . 6 PHE C . 25825 1 76 . 1 1 6 6 PHE CA C 13 56.489 0 . 1 . . . . 6 PHE CA . 25825 1 77 . 1 1 6 6 PHE CB C 13 39.344 0 . 1 . . . . 6 PHE CB . 25825 1 78 . 1 1 6 6 PHE N N 15 127.472 0 . 1 . . . . 6 PHE N . 25825 1 79 . 1 1 7 7 LYS H H 1 9.424 0 . 1 . . . . 7 LYS HN . 25825 1 80 . 1 1 7 7 LYS HA H 1 5.89 0 . 1 . . . . 7 LYS HA . 25825 1 81 . 1 1 7 7 LYS HB2 H 1 1.637 0 . 2 . . . . 7 LYS QB . 25825 1 82 . 1 1 7 7 LYS HB3 H 1 1.637 0 . 2 . . . . 7 LYS QB . 25825 1 83 . 1 1 7 7 LYS HG2 H 1 1.391 0 . 2 . . . . 7 LYS HG2 . 25825 1 84 . 1 1 7 7 LYS HG3 H 1 1.277 0 . 2 . . . . 7 LYS HG3 . 25825 1 85 . 1 1 7 7 LYS HD2 H 1 1.611 0 . 2 . . . . 7 LYS HD2 . 25825 1 86 . 1 1 7 7 LYS HD3 H 1 1.524 0 . 2 . . . . 7 LYS HD3 . 25825 1 87 . 1 1 7 7 LYS HE2 H 1 2.827 0 . 2 . . . . 7 LYS HE2 . 25825 1 88 . 1 1 7 7 LYS HE3 H 1 2.736 0 . 2 . . . . 7 LYS HE3 . 25825 1 89 . 1 1 7 7 LYS C C 13 174.166 0 . 1 . . . . 7 LYS C . 25825 1 90 . 1 1 7 7 LYS CA C 13 53.958 0 . 1 . . . . 7 LYS CA . 25825 1 91 . 1 1 7 7 LYS CB C 13 37.083 0 . 1 . . . . 7 LYS CB . 25825 1 92 . 1 1 7 7 LYS CG C 13 24.146 0 . 1 . . . . 7 LYS CG . 25825 1 93 . 1 1 7 7 LYS CD C 13 29.771 0 . 1 . . . . 7 LYS CD . 25825 1 94 . 1 1 7 7 LYS CE C 13 41.878 0 . 1 . . . . 7 LYS CE . 25825 1 95 . 1 1 7 7 LYS N N 15 124.089 0 . 1 . . . . 7 LYS N . 25825 1 96 . 1 1 8 8 ASN H H 1 7.655 0 . 1 . . . . 8 ASN HN . 25825 1 97 . 1 1 8 8 ASN HA H 1 4.976 0 . 1 . . . . 8 ASN HA . 25825 1 98 . 1 1 8 8 ASN HB2 H 1 2.901 0 . 2 . . . . 8 ASN HB2 . 25825 1 99 . 1 1 8 8 ASN HB3 H 1 1.347 0 . 2 . . . . 8 ASN HB3 . 25825 1 100 . 1 1 8 8 ASN HD21 H 1 6.793 0 . 2 . . . . 8 ASN HD21 . 25825 1 101 . 1 1 8 8 ASN HD22 H 1 7.848 0 . 2 . . . . 8 ASN HD22 . 25825 1 102 . 1 1 8 8 ASN C C 13 178.411 0 . 1 . . . . 8 ASN C . 25825 1 103 . 1 1 8 8 ASN CA C 13 50.021 0 . 1 . . . . 8 ASN CA . 25825 1 104 . 1 1 8 8 ASN CB C 13 39.896 0 . 1 . . . . 8 ASN CB . 25825 1 105 . 1 1 8 8 ASN N N 15 120.193 0 . 1 . . . . 8 ASN N . 25825 1 106 . 1 1 8 8 ASN ND2 N 15 112.805 0 . 1 . . . . 8 ASN ND2 . 25825 1 107 . 1 1 9 9 PHE H H 1 8.5 0 . 1 . . . . 9 PHE HN . 25825 1 108 . 1 1 9 9 PHE HA H 1 4.434 0 . 1 . . . . 9 PHE HA . 25825 1 109 . 1 1 9 9 PHE HB2 H 1 3.21 0 . 2 . . . . 9 PHE HB2 . 25825 1 110 . 1 1 9 9 PHE HB3 H 1 3.174 0 . 2 . . . . 9 PHE HB3 . 25825 1 111 . 1 1 9 9 PHE HD1 H 1 7.259 0 . 3 . . . . 9 PHE QD . 25825 1 112 . 1 1 9 9 PHE HD2 H 1 7.259 0 . 3 . . . . 9 PHE QD . 25825 1 113 . 1 1 9 9 PHE C C 13 176.074 0 . 1 . . . . 9 PHE C . 25825 1 114 . 1 1 9 9 PHE CA C 13 59.371 0 . 1 . . . . 9 PHE CA . 25825 1 115 . 1 1 9 9 PHE CB C 13 37.365 0 . 1 . . . . 9 PHE CB . 25825 1 116 . 1 1 9 9 PHE N N 15 118.667 0 . 1 . . . . 9 PHE N . 25825 1 117 . 1 1 10 10 LYS H H 1 7.115 0 . 1 . . . . 10 LYS HN . 25825 1 118 . 1 1 10 10 LYS HA H 1 4.202 0 . 1 . . . . 10 LYS HA . 25825 1 119 . 1 1 10 10 LYS HB2 H 1 1.87 0 . 2 . . . . 10 LYS HB2 . 25825 1 120 . 1 1 10 10 LYS HB3 H 1 1.531 0 . 2 . . . . 10 LYS HB3 . 25825 1 121 . 1 1 10 10 LYS HG2 H 1 1.091 0 . 2 . . . . 10 LYS HG2 . 25825 1 122 . 1 1 10 10 LYS HG3 H 1 0.991 0 . 2 . . . . 10 LYS HG3 . 25825 1 123 . 1 1 10 10 LYS HD2 H 1 1.578 0 . 2 . . . . 10 LYS QD . 25825 1 124 . 1 1 10 10 LYS HD3 H 1 1.578 0 . 2 . . . . 10 LYS QD . 25825 1 125 . 1 1 10 10 LYS HE2 H 1 2.9 0 . 2 . . . . 10 LYS QE . 25825 1 126 . 1 1 10 10 LYS HE3 H 1 2.9 0 . 2 . . . . 10 LYS QE . 25825 1 127 . 1 1 10 10 LYS C C 13 175.383 0 . 1 . . . . 10 LYS C . 25825 1 128 . 1 1 10 10 LYS CA C 13 55.672 0 . 1 . . . . 10 LYS CA . 25825 1 129 . 1 1 10 10 LYS CB C 13 32.021 0 . 1 . . . . 10 LYS CB . 25825 1 130 . 1 1 10 10 LYS CG C 13 24.709 0 . 1 . . . . 10 LYS CG . 25825 1 131 . 1 1 10 10 LYS CD C 13 29.033 0 . 1 . . . . 10 LYS CD . 25825 1 132 . 1 1 10 10 LYS CE C 13 41.865 0 . 1 . . . . 10 LYS CE . 25825 1 133 . 1 1 10 10 LYS N N 15 119.396 0 . 1 . . . . 10 LYS N . 25825 1 134 . 1 1 11 11 LYS H H 1 8.05 0 . 1 . . . . 11 LYS HN . 25825 1 135 . 1 1 11 11 LYS HA H 1 3.771 0 . 1 . . . . 11 LYS HA . 25825 1 136 . 1 1 11 11 LYS HB2 H 1 2.171 0 . 2 . . . . 11 LYS HB2 . 25825 1 137 . 1 1 11 11 LYS HB3 H 1 2.011 0 . 2 . . . . 11 LYS HB3 . 25825 1 138 . 1 1 11 11 LYS HG2 H 1 1.316 0 . 2 . . . . 11 LYS QG . 25825 1 139 . 1 1 11 11 LYS HG3 H 1 1.316 0 . 2 . . . . 11 LYS QG . 25825 1 140 . 1 1 11 11 LYS HD2 H 1 1.713 0 . 2 . . . . 11 LYS HD2 . 25825 1 141 . 1 1 11 11 LYS HD3 H 1 1.641 0 . 2 . . . . 11 LYS HD3 . 25825 1 142 . 1 1 11 11 LYS HE2 H 1 2.987 0 . 2 . . . . 11 LYS QE . 25825 1 143 . 1 1 11 11 LYS HE3 H 1 2.987 0 . 2 . . . . 11 LYS QE . 25825 1 144 . 1 1 11 11 LYS C C 13 175.841 0 . 1 . . . . 11 LYS C . 25825 1 145 . 1 1 11 11 LYS CA C 13 57.704 0 . 1 . . . . 11 LYS CA . 25825 1 146 . 1 1 11 11 LYS CB C 13 29.49 0 . 1 . . . . 11 LYS CB . 25825 1 147 . 1 1 11 11 LYS CG C 13 25.271 0 . 1 . . . . 11 LYS CG . 25825 1 148 . 1 1 11 11 LYS CD C 13 29.209 0 . 1 . . . . 11 LYS CD . 25825 1 149 . 1 1 11 11 LYS CE C 13 42.146 0 . 1 . . . . 11 LYS CE . 25825 1 150 . 1 1 11 11 LYS N N 15 113.187 0 . 1 . . . . 11 LYS N . 25825 1 151 . 1 1 12 12 GLU H H 1 7.933 0 . 1 . . . . 12 GLU HN . 25825 1 152 . 1 1 12 12 GLU HA H 1 4.285 0 . 1 . . . . 12 GLU HA . 25825 1 153 . 1 1 12 12 GLU HB2 H 1 2.021 0 . 2 . . . . 12 GLU HB2 . 25825 1 154 . 1 1 12 12 GLU HB3 H 1 1.962 0 . 2 . . . . 12 GLU HB3 . 25825 1 155 . 1 1 12 12 GLU HG2 H 1 2.227 0 . 2 . . . . 12 GLU QG . 25825 1 156 . 1 1 12 12 GLU HG3 H 1 2.227 0 . 2 . . . . 12 GLU QG . 25825 1 157 . 1 1 12 12 GLU C C 13 175.792 0 . 1 . . . . 12 GLU C . 25825 1 158 . 1 1 12 12 GLU CA C 13 56.771 0 . 1 . . . . 12 GLU CA . 25825 1 159 . 1 1 12 12 GLU CB C 13 29.771 0 . 1 . . . . 12 GLU CB . 25825 1 160 . 1 1 12 12 GLU CG C 13 36.802 0 . 1 . . . . 12 GLU CG . 25825 1 161 . 1 1 12 12 GLU N N 15 120.266 0 . 1 . . . . 12 GLU N . 25825 1 162 . 1 1 13 13 LYS H H 1 8.316 0 . 1 . . . . 13 LYS HN . 25825 1 163 . 1 1 13 13 LYS HA H 1 5.352 0 . 1 . . . . 13 LYS HA . 25825 1 164 . 1 1 13 13 LYS HB2 H 1 1.707 0 . 2 . . . . 13 LYS HB2 . 25825 1 165 . 1 1 13 13 LYS HB3 H 1 1.584 0 . 2 . . . . 13 LYS HB3 . 25825 1 166 . 1 1 13 13 LYS HG2 H 1 1.433 0 . 2 . . . . 13 LYS HG2 . 25825 1 167 . 1 1 13 13 LYS HG3 H 1 1.204 0 . 2 . . . . 13 LYS HG3 . 25825 1 168 . 1 1 13 13 LYS HD2 H 1 1.669 0 . 2 . . . . 13 LYS QD . 25825 1 169 . 1 1 13 13 LYS HD3 H 1 1.669 0 . 2 . . . . 13 LYS QD . 25825 1 170 . 1 1 13 13 LYS HE2 H 1 2.939 0 . 2 . . . . 13 LYS QE . 25825 1 171 . 1 1 13 13 LYS HE3 H 1 2.939 0 . 2 . . . . 13 LYS QE . 25825 1 172 . 1 1 13 13 LYS C C 13 176.269 0 . 1 . . . . 13 LYS C . 25825 1 173 . 1 1 13 13 LYS CA C 13 54.99 0 . 1 . . . . 13 LYS CA . 25825 1 174 . 1 1 13 13 LYS CB C 13 35.677 0 . 1 . . . . 13 LYS CB . 25825 1 175 . 1 1 13 13 LYS CG C 13 24.99 0 . 1 . . . . 13 LYS CG . 25825 1 176 . 1 1 13 13 LYS CD C 13 29.49 0 . 1 . . . . 13 LYS CD . 25825 1 177 . 1 1 13 13 LYS CE C 13 41.865 0 . 1 . . . . 13 LYS CE . 25825 1 178 . 1 1 13 13 LYS N N 15 120.388 0 . 1 . . . . 13 LYS N . 25825 1 179 . 1 1 14 14 VAL H H 1 9.661 0 . 1 . . . . 14 VAL HN . 25825 1 180 . 1 1 14 14 VAL HA H 1 4.592 0 . 1 . . . . 14 VAL HA . 25825 1 181 . 1 1 14 14 VAL HB H 1 2 0 . 1 . . . . 14 VAL HB . 25825 1 182 . 1 1 14 14 VAL HG11 H 1 0.77 0 . 2 . . . . 14 VAL QG1 . 25825 1 183 . 1 1 14 14 VAL HG12 H 1 0.77 0 . 2 . . . . 14 VAL QG1 . 25825 1 184 . 1 1 14 14 VAL HG13 H 1 0.77 0 . 2 . . . . 14 VAL QG1 . 25825 1 185 . 1 1 14 14 VAL HG21 H 1 0.803 0 . 2 . . . . 14 VAL QG2 . 25825 1 186 . 1 1 14 14 VAL HG22 H 1 0.803 0 . 2 . . . . 14 VAL QG2 . 25825 1 187 . 1 1 14 14 VAL HG23 H 1 0.803 0 . 2 . . . . 14 VAL QG2 . 25825 1 188 . 1 1 14 14 VAL C C 13 173.906 0 . 1 . . . . 14 VAL C . 25825 1 189 . 1 1 14 14 VAL CA C 13 59.259 0 . 1 . . . . 14 VAL CA . 25825 1 190 . 1 1 14 14 VAL CB C 13 34.925 0 . 1 . . . . 14 VAL CB . 25825 1 191 . 1 1 14 14 VAL CG1 C 13 20.49 0 . 2 . . . . 14 VAL CG1 . 25825 1 192 . 1 1 14 14 VAL CG2 C 13 19.927 0 . 2 . . . . 14 VAL CG2 . 25825 1 193 . 1 1 14 14 VAL N N 15 124.723 0 . 1 . . . . 14 VAL N . 25825 1 194 . 1 1 15 15 PRO HA H 1 5.395 0 . 1 . . . . 15 PRO HA . 25825 1 195 . 1 1 15 15 PRO HB2 H 1 2.183 0 . 2 . . . . 15 PRO HB2 . 25825 1 196 . 1 1 15 15 PRO HB3 H 1 2.011 0 . 2 . . . . 15 PRO HB3 . 25825 1 197 . 1 1 15 15 PRO HG2 H 1 2.264 0 . 2 . . . . 15 PRO HG2 . 25825 1 198 . 1 1 15 15 PRO HG3 H 1 2.024 0 . 2 . . . . 15 PRO HG3 . 25825 1 199 . 1 1 15 15 PRO HD2 H 1 3.928 0 . 2 . . . . 15 PRO HD2 . 25825 1 200 . 1 1 15 15 PRO HD3 H 1 3.714 0 . 2 . . . . 15 PRO HD3 . 25825 1 201 . 1 1 15 15 PRO C C 13 176.629 0 . 1 . . . . 15 PRO C . 25825 1 202 . 1 1 15 15 PRO CA C 13 61.552 0 . 1 . . . . 15 PRO CA . 25825 1 203 . 1 1 15 15 PRO CB C 13 31.74 0 . 1 . . . . 15 PRO CB . 25825 1 204 . 1 1 15 15 PRO CG C 13 26.677 0 . 1 . . . . 15 PRO CG . 25825 1 205 . 1 1 15 15 PRO CD C 13 50.864 0 . 1 . . . . 15 PRO CD . 25825 1 206 . 1 1 16 16 LEU H H 1 8.814 0 . 1 . . . . 16 LEU HN . 25825 1 207 . 1 1 16 16 LEU HA H 1 4.693 0 . 1 . . . . 16 LEU HA . 25825 1 208 . 1 1 16 16 LEU HB2 H 1 1.624 0 . 2 . . . . 16 LEU HB2 . 25825 1 209 . 1 1 16 16 LEU HB3 H 1 1.319 0 . 2 . . . . 16 LEU HB3 . 25825 1 210 . 1 1 16 16 LEU HG H 1 1.485 0 . 1 . . . . 16 LEU HG . 25825 1 211 . 1 1 16 16 LEU HD11 H 1 0.768 0 . 2 . . . . 16 LEU QD1 . 25825 1 212 . 1 1 16 16 LEU HD12 H 1 0.768 0 . 2 . . . . 16 LEU QD1 . 25825 1 213 . 1 1 16 16 LEU HD13 H 1 0.768 0 . 2 . . . . 16 LEU QD1 . 25825 1 214 . 1 1 16 16 LEU HD21 H 1 0.403 0 . 2 . . . . 16 LEU QD2 . 25825 1 215 . 1 1 16 16 LEU HD22 H 1 0.403 0 . 2 . . . . 16 LEU QD2 . 25825 1 216 . 1 1 16 16 LEU HD23 H 1 0.403 0 . 2 . . . . 16 LEU QD2 . 25825 1 217 . 1 1 16 16 LEU C C 13 174.351 0 . 1 . . . . 16 LEU C . 25825 1 218 . 1 1 16 16 LEU CA C 13 54.521 0 . 1 . . . . 16 LEU CA . 25825 1 219 . 1 1 16 16 LEU CB C 13 48.052 0 . 1 . . . . 16 LEU CB . 25825 1 220 . 1 1 16 16 LEU CG C 13 26.677 0 . 1 . . . . 16 LEU CG . 25825 1 221 . 1 1 16 16 LEU CD1 C 13 24.146 0 . 2 . . . . 16 LEU CD1 . 25825 1 222 . 1 1 16 16 LEU CD2 C 13 25.552 0 . 2 . . . . 16 LEU CD2 . 25825 1 223 . 1 1 16 16 LEU N N 15 122.581 0 . 1 . . . . 16 LEU N . 25825 1 224 . 1 1 17 17 ASP H H 1 8.161 0 . 1 . . . . 17 ASP HN . 25825 1 225 . 1 1 17 17 ASP HA H 1 5.471 0 . 1 . . . . 17 ASP HA . 25825 1 226 . 1 1 17 17 ASP HB2 H 1 2.521 0 . 2 . . . . 17 ASP HB2 . 25825 1 227 . 1 1 17 17 ASP HB3 H 1 2.424 0 . 2 . . . . 17 ASP HB3 . 25825 1 228 . 1 1 17 17 ASP C C 13 175.295 0 . 1 . . . . 17 ASP C . 25825 1 229 . 1 1 17 17 ASP CA C 13 53.114 0 . 1 . . . . 17 ASP CA . 25825 1 230 . 1 1 17 17 ASP CB C 13 42.146 0 . 1 . . . . 17 ASP CB . 25825 1 231 . 1 1 17 17 ASP N N 15 121.68 0 . 1 . . . . 17 ASP N . 25825 1 232 . 1 1 18 18 LEU H H 1 9.064 0 . 1 . . . . 18 LEU HN . 25825 1 233 . 1 1 18 18 LEU HA H 1 4.801 0 . 1 . . . . 18 LEU HA . 25825 1 234 . 1 1 18 18 LEU HB2 H 1 1.795 0 . 2 . . . . 18 LEU HB2 . 25825 1 235 . 1 1 18 18 LEU HB3 H 1 1.476 0 . 2 . . . . 18 LEU HB3 . 25825 1 236 . 1 1 18 18 LEU HG H 1 1.718 0 . 1 . . . . 18 LEU HG . 25825 1 237 . 1 1 18 18 LEU HD11 H 1 0.996 0 . 2 . . . . 18 LEU QD1 . 25825 1 238 . 1 1 18 18 LEU HD12 H 1 0.996 0 . 2 . . . . 18 LEU QD1 . 25825 1 239 . 1 1 18 18 LEU HD13 H 1 0.996 0 . 2 . . . . 18 LEU QD1 . 25825 1 240 . 1 1 18 18 LEU HD21 H 1 0.921 0 . 2 . . . . 18 LEU QD2 . 25825 1 241 . 1 1 18 18 LEU HD22 H 1 0.921 0 . 2 . . . . 18 LEU QD2 . 25825 1 242 . 1 1 18 18 LEU HD23 H 1 0.921 0 . 2 . . . . 18 LEU QD2 . 25825 1 243 . 1 1 18 18 LEU C C 13 176.084 0 . 1 . . . . 18 LEU C . 25825 1 244 . 1 1 18 18 LEU CA C 13 52.224 0 . 1 . . . . 18 LEU CA . 25825 1 245 . 1 1 18 18 LEU CB C 13 45.543 0 . 1 . . . . 18 LEU CB . 25825 1 246 . 1 1 18 18 LEU CG C 13 27.24 0 . 1 . . . . 18 LEU CG . 25825 1 247 . 1 1 18 18 LEU CD1 C 13 26.482 0 . 2 . . . . 18 LEU CD1 . 25825 1 248 . 1 1 18 18 LEU CD2 C 13 24.007 0 . 2 . . . . 18 LEU CD2 . 25825 1 249 . 1 1 18 18 LEU N N 15 124.503 0 . 1 . . . . 18 LEU N . 25825 1 250 . 1 1 19 19 GLU H H 1 8.476 0 . 1 . . . . 19 GLU HN . 25825 1 251 . 1 1 19 19 GLU HA H 1 4.976 0 . 1 . . . . 19 GLU HA . 25825 1 252 . 1 1 19 19 GLU HB2 H 1 2.115 0 . 2 . . . . 19 GLU HB2 . 25825 1 253 . 1 1 19 19 GLU HB3 H 1 1.594 0 . 2 . . . . 19 GLU HB3 . 25825 1 254 . 1 1 19 19 GLU HG2 H 1 2.342 0 . 2 . . . . 19 GLU HG2 . 25825 1 255 . 1 1 19 19 GLU HG3 H 1 2.277 0 . 2 . . . . 19 GLU HG3 . 25825 1 256 . 1 1 19 19 GLU C C 13 176.912 0 . 1 . . . . 19 GLU C . 25825 1 257 . 1 1 19 19 GLU CA C 13 53.396 0 . 1 . . . . 19 GLU CA . 25825 1 258 . 1 1 19 19 GLU CB C 13 29.209 0 . 1 . . . . 19 GLU CB . 25825 1 259 . 1 1 19 19 GLU CG C 13 34.833 0 . 1 . . . . 19 GLU CG . 25825 1 260 . 1 1 19 19 GLU N N 15 118.791 0 . 1 . . . . 19 GLU N . 25825 1 261 . 1 1 20 20 PRO HA H 1 4.056 0 . 1 . . . . 20 PRO HA . 25825 1 262 . 1 1 20 20 PRO HB2 H 1 2.361 0 . 2 . . . . 20 PRO HB2 . 25825 1 263 . 1 1 20 20 PRO HB3 H 1 2.08 0 . 2 . . . . 20 PRO HB3 . 25825 1 264 . 1 1 20 20 PRO HG2 H 1 2.184 0 . 2 . . . . 20 PRO HG2 . 25825 1 265 . 1 1 20 20 PRO HG3 H 1 1.998 0 . 2 . . . . 20 PRO HG3 . 25825 1 266 . 1 1 20 20 PRO HD2 H 1 4.15 0 . 2 . . . . 20 PRO HD2 . 25825 1 267 . 1 1 20 20 PRO HD3 H 1 3.656 0 . 2 . . . . 20 PRO HD3 . 25825 1 268 . 1 1 20 20 PRO C C 13 175.568 0 . 1 . . . . 20 PRO C . 25825 1 269 . 1 1 20 20 PRO CA C 13 64.753 0 . 1 . . . . 20 PRO CA . 25825 1 270 . 1 1 20 20 PRO CB C 13 31.74 0 . 1 . . . . 20 PRO CB . 25825 1 271 . 1 1 20 20 PRO CG C 13 27.802 0 . 1 . . . . 20 PRO CG . 25825 1 272 . 1 1 20 20 PRO CD C 13 50.583 0 . 1 . . . . 20 PRO CD . 25825 1 273 . 1 1 21 21 SER H H 1 7.098 0 . 1 . . . . 21 SER HN . 25825 1 274 . 1 1 21 21 SER HA H 1 4.421 0 . 1 . . . . 21 SER HA . 25825 1 275 . 1 1 21 21 SER HB2 H 1 4.135 0 . 2 . . . . 21 SER HB2 . 25825 1 276 . 1 1 21 21 SER HB3 H 1 3.789 0 . 2 . . . . 21 SER HB3 . 25825 1 277 . 1 1 21 21 SER C C 13 175.821 0 . 1 . . . . 21 SER C . 25825 1 278 . 1 1 21 21 SER CA C 13 57.362 0 . 1 . . . . 21 SER CA . 25825 1 279 . 1 1 21 21 SER CB C 13 63.353 0 . 1 . . . . 21 SER CB . 25825 1 280 . 1 1 21 21 SER N N 15 103.816 0 . 1 . . . . 21 SER N . 25825 1 281 . 1 1 22 22 ASN H H 1 7.978 0 . 1 . . . . 22 ASN HN . 25825 1 282 . 1 1 22 22 ASN HA H 1 4.932 0 . 1 . . . . 22 ASN HA . 25825 1 283 . 1 1 22 22 ASN HB2 H 1 2.927 0 . 2 . . . . 22 ASN HB2 . 25825 1 284 . 1 1 22 22 ASN HB3 H 1 2.701 0 . 2 . . . . 22 ASN HB3 . 25825 1 285 . 1 1 22 22 ASN HD21 H 1 7.097 0 . 2 . . . . 22 ASN HD21 . 25825 1 286 . 1 1 22 22 ASN HD22 H 1 7.84 0 . 2 . . . . 22 ASN HD22 . 25825 1 287 . 1 1 22 22 ASN C C 13 175.471 0 . 1 . . . . 22 ASN C . 25825 1 288 . 1 1 22 22 ASN CA C 13 54.827 0 . 1 . . . . 22 ASN CA . 25825 1 289 . 1 1 22 22 ASN CB C 13 39.615 0 . 1 . . . . 22 ASN CB . 25825 1 290 . 1 1 22 22 ASN N N 15 121.858 0 . 1 . . . . 22 ASN N . 25825 1 291 . 1 1 22 22 ASN ND2 N 15 109.461 0 . 1 . . . . 22 ASN ND2 . 25825 1 292 . 1 1 23 23 THR H H 1 9.069 0 . 1 . . . . 23 THR HN . 25825 1 293 . 1 1 23 23 THR HA H 1 4.927 0 . 1 . . . . 23 THR HA . 25825 1 294 . 1 1 23 23 THR HB H 1 4.877 0 . 1 . . . . 23 THR HB . 25825 1 295 . 1 1 23 23 THR HG21 H 1 1.261 0 . 1 . . . . 23 THR QG2 . 25825 1 296 . 1 1 23 23 THR HG22 H 1 1.261 0 . 1 . . . . 23 THR QG2 . 25825 1 297 . 1 1 23 23 THR HG23 H 1 1.261 0 . 1 . . . . 23 THR QG2 . 25825 1 298 . 1 1 23 23 THR C C 13 177.934 0 . 1 . . . . 23 THR C . 25825 1 299 . 1 1 23 23 THR CA C 13 60.427 0 . 1 . . . . 23 THR CA . 25825 1 300 . 1 1 23 23 THR CB C 13 71.4 0 . 1 . . . . 23 THR CB . 25825 1 301 . 1 1 23 23 THR CG2 C 13 21.896 0 . 1 . . . . 23 THR CG2 . 25825 1 302 . 1 1 23 23 THR N N 15 110.283 0 . 1 . . . . 23 THR N . 25825 1 303 . 1 1 24 24 ILE H H 1 9.066 0 . 1 . . . . 24 ILE HN . 25825 1 304 . 1 1 24 24 ILE HA H 1 3.86 0 . 1 . . . . 24 ILE HA . 25825 1 305 . 1 1 24 24 ILE HB H 1 2.757 0 . 1 . . . . 24 ILE HB . 25825 1 306 . 1 1 24 24 ILE HG12 H 1 1.576 0 . 2 . . . . 24 ILE HG12 . 25825 1 307 . 1 1 24 24 ILE HG13 H 1 1.204 0 . 2 . . . . 24 ILE HG13 . 25825 1 308 . 1 1 24 24 ILE HG21 H 1 0.788 0 . 1 . . . . 24 ILE QG2 . 25825 1 309 . 1 1 24 24 ILE HG22 H 1 0.788 0 . 1 . . . . 24 ILE QG2 . 25825 1 310 . 1 1 24 24 ILE HG23 H 1 0.788 0 . 1 . . . . 24 ILE QG2 . 25825 1 311 . 1 1 24 24 ILE HD11 H 1 0.591 0 . 1 . . . . 24 ILE QD1 . 25825 1 312 . 1 1 24 24 ILE HD12 H 1 0.591 0 . 1 . . . . 24 ILE QD1 . 25825 1 313 . 1 1 24 24 ILE HD13 H 1 0.591 0 . 1 . . . . 24 ILE QD1 . 25825 1 314 . 1 1 24 24 ILE C C 13 178.859 0 . 1 . . . . 24 ILE C . 25825 1 315 . 1 1 24 24 ILE CA C 13 60.889 0 . 1 . . . . 24 ILE CA . 25825 1 316 . 1 1 24 24 ILE CB C 13 33.567 0 . 1 . . . . 24 ILE CB . 25825 1 317 . 1 1 24 24 ILE CG1 C 13 26.959 0 . 1 . . . . 24 ILE CG1 . 25825 1 318 . 1 1 24 24 ILE CG2 C 13 17.387 0 . 1 . . . . 24 ILE CG2 . 25825 1 319 . 1 1 24 24 ILE CD1 C 13 7.344 0 . 1 . . . . 24 ILE CD1 . 25825 1 320 . 1 1 24 24 ILE N N 15 125.849 0 . 1 . . . . 24 ILE N . 25825 1 321 . 1 1 25 25 LEU H H 1 8.577 0 . 1 . . . . 25 LEU HN . 25825 1 322 . 1 1 25 25 LEU HA H 1 4.037 0 . 1 . . . . 25 LEU HA . 25825 1 323 . 1 1 25 25 LEU HB2 H 1 1.792 0 . 2 . . . . 25 LEU HB2 . 25825 1 324 . 1 1 25 25 LEU HB3 H 1 1.364 0 . 2 . . . . 25 LEU HB3 . 25825 1 325 . 1 1 25 25 LEU HG H 1 1.498 0 . 1 . . . . 25 LEU HG . 25825 1 326 . 1 1 25 25 LEU HD11 H 1 0.859 0 . 2 . . . . 25 LEU QD1 . 25825 1 327 . 1 1 25 25 LEU HD12 H 1 0.859 0 . 2 . . . . 25 LEU QD1 . 25825 1 328 . 1 1 25 25 LEU HD13 H 1 0.859 0 . 2 . . . . 25 LEU QD1 . 25825 1 329 . 1 1 25 25 LEU HD21 H 1 0.832 0 . 2 . . . . 25 LEU QD2 . 25825 1 330 . 1 1 25 25 LEU HD22 H 1 0.832 0 . 2 . . . . 25 LEU QD2 . 25825 1 331 . 1 1 25 25 LEU HD23 H 1 0.832 0 . 2 . . . . 25 LEU QD2 . 25825 1 332 . 1 1 25 25 LEU C C 13 178.84 0 . 1 . . . . 25 LEU C . 25825 1 333 . 1 1 25 25 LEU CA C 13 58.768 0 . 1 . . . . 25 LEU CA . 25825 1 334 . 1 1 25 25 LEU CB C 13 41.677 0 . 1 . . . . 25 LEU CB . 25825 1 335 . 1 1 25 25 LEU CG C 13 26.677 0 . 1 . . . . 25 LEU CG . 25825 1 336 . 1 1 25 25 LEU CD1 C 13 25.271 0 . 2 . . . . 25 LEU CD1 . 25825 1 337 . 1 1 25 25 LEU CD2 C 13 22.74 0 . 2 . . . . 25 LEU CD2 . 25825 1 338 . 1 1 25 25 LEU N N 15 124.186 0 . 1 . . . . 25 LEU N . 25825 1 339 . 1 1 26 26 GLU H H 1 8.049 0 . 1 . . . . 26 GLU HN . 25825 1 340 . 1 1 26 26 GLU HA H 1 3.865 0 . 1 . . . . 26 GLU HA . 25825 1 341 . 1 1 26 26 GLU HB2 H 1 2.468 0 . 2 . . . . 26 GLU HB2 . 25825 1 342 . 1 1 26 26 GLU HB3 H 1 1.823 0 . 2 . . . . 26 GLU HB3 . 25825 1 343 . 1 1 26 26 GLU HG2 H 1 2.41 0 . 2 . . . . 26 GLU HG2 . 25825 1 344 . 1 1 26 26 GLU HG3 H 1 2.301 0 . 2 . . . . 26 GLU HG3 . 25825 1 345 . 1 1 26 26 GLU C C 13 179.989 0 . 1 . . . . 26 GLU C . 25825 1 346 . 1 1 26 26 GLU CA C 13 59.328 0 . 1 . . . . 26 GLU CA . 25825 1 347 . 1 1 26 26 GLU CB C 13 29.529 0 . 1 . . . . 26 GLU CB . 25825 1 348 . 1 1 26 26 GLU CG C 13 37.365 0 . 1 . . . . 26 GLU CG . 25825 1 349 . 1 1 26 26 GLU N N 15 119.053 0 . 1 . . . . 26 GLU N . 25825 1 350 . 1 1 27 27 THR H H 1 8.222 0 . 1 . . . . 27 THR HN . 25825 1 351 . 1 1 27 27 THR HA H 1 3.531 0 . 1 . . . . 27 THR HA . 25825 1 352 . 1 1 27 27 THR HB H 1 4.487 0 . 1 . . . . 27 THR HB . 25825 1 353 . 1 1 27 27 THR HG21 H 1 0.923 0 . 1 . . . . 27 THR QG2 . 25825 1 354 . 1 1 27 27 THR HG22 H 1 0.923 0 . 1 . . . . 27 THR QG2 . 25825 1 355 . 1 1 27 27 THR HG23 H 1 0.923 0 . 1 . . . . 27 THR QG2 . 25825 1 356 . 1 1 27 27 THR C C 13 175.607 0 . 1 . . . . 27 THR C . 25825 1 357 . 1 1 27 27 THR CA C 13 67.524 0 . 1 . . . . 27 THR CA . 25825 1 358 . 1 1 27 27 THR CB C 13 67.214 0 . 1 . . . . 27 THR CB . 25825 1 359 . 1 1 27 27 THR CG2 C 13 21.801 0 . 1 . . . . 27 THR CG2 . 25825 1 360 . 1 1 27 27 THR N N 15 119.344 0 . 1 . . . . 27 THR N . 25825 1 361 . 1 1 28 28 LYS H H 1 8.608 0 . 1 . . . . 28 LYS HN . 25825 1 362 . 1 1 28 28 LYS HA H 1 3.53 0 . 1 . . . . 28 LYS HA . 25825 1 363 . 1 1 28 28 LYS HB2 H 1 2.229 0 . 2 . . . . 28 LYS HB2 . 25825 1 364 . 1 1 28 28 LYS HB3 H 1 1.68 0 . 2 . . . . 28 LYS HB3 . 25825 1 365 . 1 1 28 28 LYS HG2 H 1 1.785 0 . 2 . . . . 28 LYS HG2 . 25825 1 366 . 1 1 28 28 LYS HG3 H 1 0.87 0 . 2 . . . . 28 LYS HG3 . 25825 1 367 . 1 1 28 28 LYS HD2 H 1 1.837 0 . 2 . . . . 28 LYS HD2 . 25825 1 368 . 1 1 28 28 LYS HD3 H 1 1.66 0 . 2 . . . . 28 LYS HD3 . 25825 1 369 . 1 1 28 28 LYS HE2 H 1 2.783 0 . 2 . . . . 28 LYS HE2 . 25825 1 370 . 1 1 28 28 LYS HE3 H 1 2.626 0 . 2 . . . . 28 LYS HE3 . 25825 1 371 . 1 1 28 28 LYS C C 13 178.119 0 . 1 . . . . 28 LYS C . 25825 1 372 . 1 1 28 28 LYS CA C 13 60.77 0 . 1 . . . . 28 LYS CA . 25825 1 373 . 1 1 28 28 LYS CB C 13 33.427 0 . 1 . . . . 28 LYS CB . 25825 1 374 . 1 1 28 28 LYS CG C 13 27.521 0 . 1 . . . . 28 LYS CG . 25825 1 375 . 1 1 28 28 LYS CD C 13 30.052 0 . 1 . . . . 28 LYS CD . 25825 1 376 . 1 1 28 28 LYS CE C 13 42.441 0 . 1 . . . . 28 LYS CE . 25825 1 377 . 1 1 28 28 LYS N N 15 120.997 0 . 1 . . . . 28 LYS N . 25825 1 378 . 1 1 29 29 THR H H 1 8.382 0 . 1 . . . . 29 THR HN . 25825 1 379 . 1 1 29 29 THR HA H 1 3.786 0 . 1 . . . . 29 THR HA . 25825 1 380 . 1 1 29 29 THR HB H 1 4.165 0 . 1 . . . . 29 THR HB . 25825 1 381 . 1 1 29 29 THR HG21 H 1 1.192 0 . 1 . . . . 29 THR QG2 . 25825 1 382 . 1 1 29 29 THR HG22 H 1 1.192 0 . 1 . . . . 29 THR QG2 . 25825 1 383 . 1 1 29 29 THR HG23 H 1 1.192 0 . 1 . . . . 29 THR QG2 . 25825 1 384 . 1 1 29 29 THR C C 13 175.899 0 . 1 . . . . 29 THR C . 25825 1 385 . 1 1 29 29 THR CA C 13 67.271 0 . 1 . . . . 29 THR CA . 25825 1 386 . 1 1 29 29 THR CB C 13 68.301 0 . 1 . . . . 29 THR CB . 25825 1 387 . 1 1 29 29 THR CG2 C 13 21.334 0 . 1 . . . . 29 THR CG2 . 25825 1 388 . 1 1 29 29 THR N N 15 117.273 0 . 1 . . . . 29 THR N . 25825 1 389 . 1 1 30 30 LYS H H 1 7.514 0 . 1 . . . . 30 LYS HN . 25825 1 390 . 1 1 30 30 LYS HA H 1 3.983 0 . 1 . . . . 30 LYS HA . 25825 1 391 . 1 1 30 30 LYS HB2 H 1 1.765 0 . 2 . . . . 30 LYS QB . 25825 1 392 . 1 1 30 30 LYS HB3 H 1 1.765 0 . 2 . . . . 30 LYS QB . 25825 1 393 . 1 1 30 30 LYS HG2 H 1 1.528 0 . 2 . . . . 30 LYS HG2 . 25825 1 394 . 1 1 30 30 LYS HG3 H 1 1.441 0 . 2 . . . . 30 LYS HG3 . 25825 1 395 . 1 1 30 30 LYS HD2 H 1 1.678 0 . 2 . . . . 30 LYS HD2 . 25825 1 396 . 1 1 30 30 LYS HD3 H 1 1.554 0 . 2 . . . . 30 LYS HD3 . 25825 1 397 . 1 1 30 30 LYS HE2 H 1 2.983 0 . 2 . . . . 30 LYS QE . 25825 1 398 . 1 1 30 30 LYS HE3 H 1 2.983 0 . 2 . . . . 30 LYS QE . 25825 1 399 . 1 1 30 30 LYS C C 13 179.443 0 . 1 . . . . 30 LYS C . 25825 1 400 . 1 1 30 30 LYS CA C 13 59.583 0 . 1 . . . . 30 LYS CA . 25825 1 401 . 1 1 30 30 LYS CB C 13 32.583 0 . 1 . . . . 30 LYS CB . 25825 1 402 . 1 1 30 30 LYS CG C 13 25.552 0 . 1 . . . . 30 LYS CG . 25825 1 403 . 1 1 30 30 LYS CD C 13 29.771 0 . 1 . . . . 30 LYS CD . 25825 1 404 . 1 1 30 30 LYS CE C 13 41.865 0 . 1 . . . . 30 LYS CE . 25825 1 405 . 1 1 30 30 LYS N N 15 121.713 0 . 1 . . . . 30 LYS N . 25825 1 406 . 1 1 31 31 LEU H H 1 8.249 0 . 1 . . . . 31 LEU HN . 25825 1 407 . 1 1 31 31 LEU HA H 1 3.64 0 . 1 . . . . 31 LEU HA . 25825 1 408 . 1 1 31 31 LEU HB2 H 1 1.352 0 . 2 . . . . 31 LEU HB2 . 25825 1 409 . 1 1 31 31 LEU HB3 H 1 0.658 0 . 2 . . . . 31 LEU HB3 . 25825 1 410 . 1 1 31 31 LEU HG H 1 0.846 0 . 1 . . . . 31 LEU HG . 25825 1 411 . 1 1 31 31 LEU HD11 H 1 -0.078 0 . 2 . . . . 31 LEU QD1 . 25825 1 412 . 1 1 31 31 LEU HD12 H 1 -0.078 0 . 2 . . . . 31 LEU QD1 . 25825 1 413 . 1 1 31 31 LEU HD13 H 1 -0.078 0 . 2 . . . . 31 LEU QD1 . 25825 1 414 . 1 1 31 31 LEU HD21 H 1 0.071 0 . 2 . . . . 31 LEU QD2 . 25825 1 415 . 1 1 31 31 LEU HD22 H 1 0.071 0 . 2 . . . . 31 LEU QD2 . 25825 1 416 . 1 1 31 31 LEU HD23 H 1 0.071 0 . 2 . . . . 31 LEU QD2 . 25825 1 417 . 1 1 31 31 LEU C C 13 177.798 0 . 1 . . . . 31 LEU C . 25825 1 418 . 1 1 31 31 LEU CA C 13 57.655 0 . 1 . . . . 31 LEU CA . 25825 1 419 . 1 1 31 31 LEU CB C 13 41.284 0 . 1 . . . . 31 LEU CB . 25825 1 420 . 1 1 31 31 LEU CG C 13 26.115 0 . 1 . . . . 31 LEU CG . 25825 1 421 . 1 1 31 31 LEU CD1 C 13 25.271 0 . 2 . . . . 31 LEU CD1 . 25825 1 422 . 1 1 31 31 LEU CD2 C 13 22.177 0 . 2 . . . . 31 LEU CD2 . 25825 1 423 . 1 1 31 31 LEU N N 15 121.651 0 . 1 . . . . 31 LEU N . 25825 1 424 . 1 1 32 32 ALA H H 1 8.782 0 . 1 . . . . 32 ALA HN . 25825 1 425 . 1 1 32 32 ALA HA H 1 3.864 0 . 1 . . . . 32 ALA HA . 25825 1 426 . 1 1 32 32 ALA HB1 H 1 1.372 0 . 1 . . . . 32 ALA HB# . 25825 1 427 . 1 1 32 32 ALA HB2 H 1 1.372 0 . 1 . . . . 32 ALA HB# . 25825 1 428 . 1 1 32 32 ALA HB3 H 1 1.372 0 . 1 . . . . 32 ALA HB# . 25825 1 429 . 1 1 32 32 ALA C C 13 179.843 0 . 1 . . . . 32 ALA C . 25825 1 430 . 1 1 32 32 ALA CA C 13 55.05 0 . 1 . . . . 32 ALA CA . 25825 1 431 . 1 1 32 32 ALA CB C 13 17.579 0 . 1 . . . . 32 ALA CB . 25825 1 432 . 1 1 32 32 ALA N N 15 121.202 0 . 1 . . . . 32 ALA N . 25825 1 433 . 1 1 33 33 GLN H H 1 7.453 0 . 1 . . . . 33 GLN HN . 25825 1 434 . 1 1 33 33 GLN HA H 1 4.125 0 . 1 . . . . 33 GLN HA . 25825 1 435 . 1 1 33 33 GLN HB2 H 1 2.177 0 . 2 . . . . 33 GLN HB2 . 25825 1 436 . 1 1 33 33 GLN HB3 H 1 2.136 0 . 2 . . . . 33 GLN HB3 . 25825 1 437 . 1 1 33 33 GLN HG2 H 1 2.623 0 . 2 . . . . 33 GLN HG2 . 25825 1 438 . 1 1 33 33 GLN HG3 H 1 2.476 0 . 2 . . . . 33 GLN HG3 . 25825 1 439 . 1 1 33 33 GLN HE21 H 1 6.776 0 . 2 . . . . 33 GLN HE21 . 25825 1 440 . 1 1 33 33 GLN HE22 H 1 7.45 0 . 2 . . . . 33 GLN HE22 . 25825 1 441 . 1 1 33 33 GLN C C 13 178.538 0 . 1 . . . . 33 GLN C . 25825 1 442 . 1 1 33 33 GLN CA C 13 58.074 0 . 1 . . . . 33 GLN CA . 25825 1 443 . 1 1 33 33 GLN CB C 13 28.084 0 . 1 . . . . 33 GLN CB . 25825 1 444 . 1 1 33 33 GLN CG C 13 33.708 0 . 1 . . . . 33 GLN CG . 25825 1 445 . 1 1 33 33 GLN N N 15 114.395 0 . 1 . . . . 33 GLN N . 25825 1 446 . 1 1 33 33 GLN NE2 N 15 111.628 0 . 1 . . . . 33 GLN NE2 . 25825 1 447 . 1 1 34 34 SER H H 1 7.562 0 . 1 . . . . 34 SER HN . 25825 1 448 . 1 1 34 34 SER HA H 1 4.378 0 . 1 . . . . 34 SER HA . 25825 1 449 . 1 1 34 34 SER HB2 H 1 3.967 0 . 2 . . . . 34 SER HB2 . 25825 1 450 . 1 1 34 34 SER HB3 H 1 3.887 0 . 2 . . . . 34 SER HB3 . 25825 1 451 . 1 1 34 34 SER C C 13 176.035 0 . 1 . . . . 34 SER C . 25825 1 452 . 1 1 34 34 SER CA C 13 61.833 0 . 1 . . . . 34 SER CA . 25825 1 453 . 1 1 34 34 SER CB C 13 63.554 0 . 1 . . . . 34 SER CB . 25825 1 454 . 1 1 34 34 SER N N 15 114.629 0 . 1 . . . . 34 SER N . 25825 1 455 . 1 1 35 35 ILE H H 1 7.667 0 . 1 . . . . 35 ILE HN . 25825 1 456 . 1 1 35 35 ILE HA H 1 4.524 0 . 1 . . . . 35 ILE HA . 25825 1 457 . 1 1 35 35 ILE HB H 1 2.139 0 . 1 . . . . 35 ILE HB . 25825 1 458 . 1 1 35 35 ILE HG12 H 1 1.163 0 . 2 . . . . 35 ILE HG12 . 25825 1 459 . 1 1 35 35 ILE HG13 H 1 1.127 0 . 2 . . . . 35 ILE HG13 . 25825 1 460 . 1 1 35 35 ILE HG21 H 1 0.669 0 . 1 . . . . 35 ILE QG2 . 25825 1 461 . 1 1 35 35 ILE HG22 H 1 0.669 0 . 1 . . . . 35 ILE QG2 . 25825 1 462 . 1 1 35 35 ILE HG23 H 1 0.669 0 . 1 . . . . 35 ILE QG2 . 25825 1 463 . 1 1 35 35 ILE HD11 H 1 0.559 0 . 1 . . . . 35 ILE QD1 . 25825 1 464 . 1 1 35 35 ILE HD12 H 1 0.559 0 . 1 . . . . 35 ILE QD1 . 25825 1 465 . 1 1 35 35 ILE HD13 H 1 0.559 0 . 1 . . . . 35 ILE QD1 . 25825 1 466 . 1 1 35 35 ILE C C 13 175.325 0 . 1 . . . . 35 ILE C . 25825 1 467 . 1 1 35 35 ILE CA C 13 61.346 0 . 1 . . . . 35 ILE CA . 25825 1 468 . 1 1 35 35 ILE CB C 13 38.025 0 . 1 . . . . 35 ILE CB . 25825 1 469 . 1 1 35 35 ILE CG1 C 13 25.552 0 . 1 . . . . 35 ILE CG1 . 25825 1 470 . 1 1 35 35 ILE CG2 C 13 17.396 0 . 1 . . . . 35 ILE CG2 . 25825 1 471 . 1 1 35 35 ILE CD1 C 13 14.865 0 . 1 . . . . 35 ILE CD1 . 25825 1 472 . 1 1 35 35 ILE N N 15 111.727 0 . 1 . . . . 35 ILE N . 25825 1 473 . 1 1 36 36 SER H H 1 7.722 0 . 1 . . . . 36 SER HN . 25825 1 474 . 1 1 36 36 SER HA H 1 4.109 0 . 1 . . . . 36 SER HA . 25825 1 475 . 1 1 36 36 SER HB2 H 1 4.11 0 . 2 . . . . 36 SER HB2 . 25825 1 476 . 1 1 36 36 SER HB3 H 1 4.015 0 . 2 . . . . 36 SER HB3 . 25825 1 477 . 1 1 36 36 SER C C 13 173.329 0 . 1 . . . . 36 SER C . 25825 1 478 . 1 1 36 36 SER CA C 13 58.458 0 . 1 . . . . 36 SER CA . 25825 1 479 . 1 1 36 36 SER CB C 13 60.808 0 . 1 . . . . 36 SER CB . 25825 1 480 . 1 1 36 36 SER N N 15 115.826 0 . 1 . . . . 36 SER N . 25825 1 481 . 1 1 37 37 CYS H H 1 8.049 0 . 1 . . . . 37 CYS HN . 25825 1 482 . 1 1 37 37 CYS HA H 1 5.049 0 . 1 . . . . 37 CYS HA . 25825 1 483 . 1 1 37 37 CYS HB2 H 1 3.1 0 . 2 . . . . 37 CYS HB2 . 25825 1 484 . 1 1 37 37 CYS HB3 H 1 2.596 0 . 2 . . . . 37 CYS HB3 . 25825 1 485 . 1 1 37 37 CYS C C 13 172.175 0 . 1 . . . . 37 CYS C . 25825 1 486 . 1 1 37 37 CYS CA C 13 55.851 0 . 1 . . . . 37 CYS CA . 25825 1 487 . 1 1 37 37 CYS CB C 13 29.732 0 . 1 . . . . 37 CYS CB . 25825 1 488 . 1 1 37 37 CYS N N 15 117.179 0 . 1 . . . . 37 CYS N . 25825 1 489 . 1 1 38 38 GLU H H 1 8.164 0 . 1 . . . . 38 GLU HN . 25825 1 490 . 1 1 38 38 GLU HA H 1 4.602 0 . 1 . . . . 38 GLU HA . 25825 1 491 . 1 1 38 38 GLU HB2 H 1 2.23 0 . 2 . . . . 38 GLU HB2 . 25825 1 492 . 1 1 38 38 GLU HB3 H 1 1.973 0 . 2 . . . . 38 GLU HB3 . 25825 1 493 . 1 1 38 38 GLU HG2 H 1 2.314 0 . 2 . . . . 38 GLU QG . 25825 1 494 . 1 1 38 38 GLU HG3 H 1 2.314 0 . 2 . . . . 38 GLU QG . 25825 1 495 . 1 1 38 38 GLU C C 13 178.616 0 . 1 . . . . 38 GLU C . 25825 1 496 . 1 1 38 38 GLU CA C 13 55.736 0 . 1 . . . . 38 GLU CA . 25825 1 497 . 1 1 38 38 GLU CB C 13 31.152 0 . 1 . . . . 38 GLU CB . 25825 1 498 . 1 1 38 38 GLU CG C 13 36.521 0 . 1 . . . . 38 GLU CG . 25825 1 499 . 1 1 38 38 GLU N N 15 117.478 0 . 1 . . . . 38 GLU N . 25825 1 500 . 1 1 39 39 GLU H H 1 9.983 0 . 1 . . . . 39 GLU HN . 25825 1 501 . 1 1 39 39 GLU HA H 1 3.702 0 . 1 . . . . 39 GLU HA . 25825 1 502 . 1 1 39 39 GLU HB2 H 1 1.952 0 . 2 . . . . 39 GLU HB2 . 25825 1 503 . 1 1 39 39 GLU HB3 H 1 1.898 0 . 2 . . . . 39 GLU HB3 . 25825 1 504 . 1 1 39 39 GLU HG2 H 1 2.354 0 . 2 . . . . 39 GLU HG2 . 25825 1 505 . 1 1 39 39 GLU HG3 H 1 2.127 0 . 2 . . . . 39 GLU HG3 . 25825 1 506 . 1 1 39 39 GLU C C 13 177.817 0 . 1 . . . . 39 GLU C . 25825 1 507 . 1 1 39 39 GLU CA C 13 60.826 0 . 1 . . . . 39 GLU CA . 25825 1 508 . 1 1 39 39 GLU CB C 13 28.135 0 . 1 . . . . 39 GLU CB . 25825 1 509 . 1 1 39 39 GLU CG C 13 35.396 0 . 1 . . . . 39 GLU CG . 25825 1 510 . 1 1 39 39 GLU N N 15 124.512 0 . 1 . . . . 39 GLU N . 25825 1 511 . 1 1 40 40 SER H H 1 8.107 0 . 1 . . . . 40 SER HN . 25825 1 512 . 1 1 40 40 SER HA H 1 4.163 0 . 1 . . . . 40 SER HA . 25825 1 513 . 1 1 40 40 SER HB2 H 1 3.967 0 . 2 . . . . 40 SER QB . 25825 1 514 . 1 1 40 40 SER HB3 H 1 3.967 0 . 2 . . . . 40 SER QB . 25825 1 515 . 1 1 40 40 SER C C 13 175.363 0 . 1 . . . . 40 SER C . 25825 1 516 . 1 1 40 40 SER CA C 13 59.811 0 . 1 . . . . 40 SER CA . 25825 1 517 . 1 1 40 40 SER CB C 13 62.264 0 . 1 . . . . 40 SER CB . 25825 1 518 . 1 1 40 40 SER N N 15 112.442 0 . 1 . . . . 40 SER N . 25825 1 519 . 1 1 41 41 GLN H H 1 7.783 0 . 1 . . . . 41 GLN HN . 25825 1 520 . 1 1 41 41 GLN HA H 1 4.37 0 . 1 . . . . 41 GLN HA . 25825 1 521 . 1 1 41 41 GLN HB2 H 1 2.713 0 . 2 . . . . 41 GLN HB2 . 25825 1 522 . 1 1 41 41 GLN HB3 H 1 2.294 0 . 2 . . . . 41 GLN HB3 . 25825 1 523 . 1 1 41 41 GLN HG2 H 1 2.385 0 . 2 . . . . 41 GLN HG2 . 25825 1 524 . 1 1 41 41 GLN HG3 H 1 2.194 0 . 2 . . . . 41 GLN HG3 . 25825 1 525 . 1 1 41 41 GLN HE21 H 1 7.079 0 . 2 . . . . 41 GLN HE21 . 25825 1 526 . 1 1 41 41 GLN HE22 H 1 7.853 0 . 2 . . . . 41 GLN HE22 . 25825 1 527 . 1 1 41 41 GLN C C 13 175.763 0 . 1 . . . . 41 GLN C . 25825 1 528 . 1 1 41 41 GLN CA C 13 56.208 0 . 1 . . . . 41 GLN CA . 25825 1 529 . 1 1 41 41 GLN CB C 13 31.835 0 . 1 . . . . 41 GLN CB . 25825 1 530 . 1 1 41 41 GLN CG C 13 36.337 0 . 1 . . . . 41 GLN CG . 25825 1 531 . 1 1 41 41 GLN N N 15 118.416 0 . 1 . . . . 41 GLN N . 25825 1 532 . 1 1 41 41 GLN NE2 N 15 112.093 0 . 1 . . . . 41 GLN NE2 . 25825 1 533 . 1 1 42 42 ILE H H 1 7.573 0 . 1 . . . . 42 ILE HN . 25825 1 534 . 1 1 42 42 ILE HA H 1 4.699 0 . 1 . . . . 42 ILE HA . 25825 1 535 . 1 1 42 42 ILE HB H 1 1.798 0 . 1 . . . . 42 ILE HB . 25825 1 536 . 1 1 42 42 ILE HG12 H 1 1.739 0 . 2 . . . . 42 ILE HG12 . 25825 1 537 . 1 1 42 42 ILE HG13 H 1 0.76 0 . 2 . . . . 42 ILE HG13 . 25825 1 538 . 1 1 42 42 ILE HG21 H 1 0.795 0 . 1 . . . . 42 ILE QG2 . 25825 1 539 . 1 1 42 42 ILE HG22 H 1 0.795 0 . 1 . . . . 42 ILE QG2 . 25825 1 540 . 1 1 42 42 ILE HG23 H 1 0.795 0 . 1 . . . . 42 ILE QG2 . 25825 1 541 . 1 1 42 42 ILE HD11 H 1 0.6 0 . 1 . . . . 42 ILE QD1 . 25825 1 542 . 1 1 42 42 ILE HD12 H 1 0.6 0 . 1 . . . . 42 ILE QD1 . 25825 1 543 . 1 1 42 42 ILE HD13 H 1 0.6 0 . 1 . . . . 42 ILE QD1 . 25825 1 544 . 1 1 42 42 ILE C C 13 174.935 0 . 1 . . . . 42 ILE C . 25825 1 545 . 1 1 42 42 ILE CA C 13 61.574 0 . 1 . . . . 42 ILE CA . 25825 1 546 . 1 1 42 42 ILE CB C 13 39.987 0 . 1 . . . . 42 ILE CB . 25825 1 547 . 1 1 42 42 ILE CG1 C 13 28.084 0 . 1 . . . . 42 ILE CG1 . 25825 1 548 . 1 1 42 42 ILE CG2 C 13 19.365 0 . 1 . . . . 42 ILE CG2 . 25825 1 549 . 1 1 42 42 ILE CD1 C 13 14.452 0 . 1 . . . . 42 ILE CD1 . 25825 1 550 . 1 1 42 42 ILE N N 15 118.717 0 . 1 . . . . 42 ILE N . 25825 1 551 . 1 1 43 43 LYS H H 1 8.7 0 . 1 . . . . 43 LYS HN . 25825 1 552 . 1 1 43 43 LYS HA H 1 4.586 0 . 1 . . . . 43 LYS HA . 25825 1 553 . 1 1 43 43 LYS HB2 H 1 1.788 0 . 2 . . . . 43 LYS HB2 . 25825 1 554 . 1 1 43 43 LYS HB3 H 1 1.7 0 . 2 . . . . 43 LYS HB3 . 25825 1 555 . 1 1 43 43 LYS HG2 H 1 1.574 0 . 2 . . . . 43 LYS HG2 . 25825 1 556 . 1 1 43 43 LYS HG3 H 1 1.331 0 . 2 . . . . 43 LYS HG3 . 25825 1 557 . 1 1 43 43 LYS HD2 H 1 1.689 0 . 2 . . . . 43 LYS QD . 25825 1 558 . 1 1 43 43 LYS HD3 H 1 1.689 0 . 2 . . . . 43 LYS QD . 25825 1 559 . 1 1 43 43 LYS HE2 H 1 2.962 0 . 2 . . . . 43 LYS QE . 25825 1 560 . 1 1 43 43 LYS HE3 H 1 2.962 0 . 2 . . . . 43 LYS QE . 25825 1 561 . 1 1 43 43 LYS C C 13 174.808 0 . 1 . . . . 43 LYS C . 25825 1 562 . 1 1 43 43 LYS CA C 13 55.083 0 . 1 . . . . 43 LYS CA . 25825 1 563 . 1 1 43 43 LYS CB C 13 35.677 0 . 1 . . . . 43 LYS CB . 25825 1 564 . 1 1 43 43 LYS CG C 13 24.709 0 . 1 . . . . 43 LYS CG . 25825 1 565 . 1 1 43 43 LYS CD C 13 29.49 0 . 1 . . . . 43 LYS CD . 25825 1 566 . 1 1 43 43 LYS CE C 13 41.865 0 . 1 . . . . 43 LYS CE . 25825 1 567 . 1 1 43 43 LYS N N 15 127.628 0 . 1 . . . . 43 LYS N . 25825 1 568 . 1 1 44 44 LEU H H 1 8.618 0 . 1 . . . . 44 LEU HN . 25825 1 569 . 1 1 44 44 LEU HA H 1 5.609 0 . 1 . . . . 44 LEU HA . 25825 1 570 . 1 1 44 44 LEU HB2 H 1 1.855 0 . 2 . . . . 44 LEU HB2 . 25825 1 571 . 1 1 44 44 LEU HB3 H 1 1.314 0 . 2 . . . . 44 LEU HB3 . 25825 1 572 . 1 1 44 44 LEU HG H 1 1.578 0 . 1 . . . . 44 LEU HG . 25825 1 573 . 1 1 44 44 LEU HD11 H 1 0.941 0 . 2 . . . . 44 LEU QD1 . 25825 1 574 . 1 1 44 44 LEU HD12 H 1 0.941 0 . 2 . . . . 44 LEU QD1 . 25825 1 575 . 1 1 44 44 LEU HD13 H 1 0.941 0 . 2 . . . . 44 LEU QD1 . 25825 1 576 . 1 1 44 44 LEU HD21 H 1 0.994 0 . 2 . . . . 44 LEU QD2 . 25825 1 577 . 1 1 44 44 LEU HD22 H 1 0.994 0 . 2 . . . . 44 LEU QD2 . 25825 1 578 . 1 1 44 44 LEU HD23 H 1 0.994 0 . 2 . . . . 44 LEU QD2 . 25825 1 579 . 1 1 44 44 LEU C C 13 175.432 0 . 1 . . . . 44 LEU C . 25825 1 580 . 1 1 44 44 LEU CA C 13 52.575 0 . 1 . . . . 44 LEU CA . 25825 1 581 . 1 1 44 44 LEU CB C 13 44.988 0 . 1 . . . . 44 LEU CB . 25825 1 582 . 1 1 44 44 LEU CG C 13 26.677 0 . 1 . . . . 44 LEU CG . 25825 1 583 . 1 1 44 44 LEU CD1 C 13 26.677 0 . 2 . . . . 44 LEU CD1 . 25825 1 584 . 1 1 44 44 LEU CD2 C 13 24.427 0 . 2 . . . . 44 LEU CD2 . 25825 1 585 . 1 1 44 44 LEU N N 15 122.704 0 . 1 . . . . 44 LEU N . 25825 1 586 . 1 1 45 45 ILE H H 1 9.379 0 . 1 . . . . 45 ILE HN . 25825 1 587 . 1 1 45 45 ILE HA H 1 4.981 0 . 1 . . . . 45 ILE HA . 25825 1 588 . 1 1 45 45 ILE HB H 1 1.587 0 . 1 . . . . 45 ILE HB . 25825 1 589 . 1 1 45 45 ILE HG12 H 1 1.373 0 . 2 . . . . 45 ILE HG12 . 25825 1 590 . 1 1 45 45 ILE HG13 H 1 0.959 0 . 2 . . . . 45 ILE HG13 . 25825 1 591 . 1 1 45 45 ILE HG21 H 1 0.684 0 . 1 . . . . 45 ILE QG2 . 25825 1 592 . 1 1 45 45 ILE HG22 H 1 0.684 0 . 1 . . . . 45 ILE QG2 . 25825 1 593 . 1 1 45 45 ILE HG23 H 1 0.684 0 . 1 . . . . 45 ILE QG2 . 25825 1 594 . 1 1 45 45 ILE HD11 H 1 0.784 0 . 1 . . . . 45 ILE QD1 . 25825 1 595 . 1 1 45 45 ILE HD12 H 1 0.784 0 . 1 . . . . 45 ILE QD1 . 25825 1 596 . 1 1 45 45 ILE HD13 H 1 0.784 0 . 1 . . . . 45 ILE QD1 . 25825 1 597 . 1 1 45 45 ILE C C 13 174.896 0 . 1 . . . . 45 ILE C . 25825 1 598 . 1 1 45 45 ILE CA C 13 60.112 0 . 1 . . . . 45 ILE CA . 25825 1 599 . 1 1 45 45 ILE CB C 13 41.531 0 . 1 . . . . 45 ILE CB . 25825 1 600 . 1 1 45 45 ILE CG1 C 13 28.084 0 . 1 . . . . 45 ILE CG1 . 25825 1 601 . 1 1 45 45 ILE CG2 C 13 18.054 0 . 1 . . . . 45 ILE CG2 . 25825 1 602 . 1 1 45 45 ILE CD1 C 13 14.504 0 . 1 . . . . 45 ILE CD1 . 25825 1 603 . 1 1 45 45 ILE N N 15 122.604 0 . 1 . . . . 45 ILE N . 25825 1 604 . 1 1 46 46 TYR H H 1 9.055 0 . 1 . . . . 46 TYR HN . 25825 1 605 . 1 1 46 46 TYR HA H 1 5.106 0 . 1 . . . . 46 TYR HA . 25825 1 606 . 1 1 46 46 TYR HB2 H 1 3.029 0 . 2 . . . . 46 TYR HB2 . 25825 1 607 . 1 1 46 46 TYR HB3 H 1 2.888 0 . 2 . . . . 46 TYR HB3 . 25825 1 608 . 1 1 46 46 TYR HD1 H 1 7.226 0 . 3 . . . . 46 TYR QD . 25825 1 609 . 1 1 46 46 TYR HD2 H 1 7.226 0 . 3 . . . . 46 TYR QD . 25825 1 610 . 1 1 46 46 TYR HE1 H 1 6.873 0 . 3 . . . . 46 TYR QE . 25825 1 611 . 1 1 46 46 TYR HE2 H 1 6.873 0 . 3 . . . . 46 TYR QE . 25825 1 612 . 1 1 46 46 TYR C C 13 175.266 0 . 1 . . . . 46 TYR C . 25825 1 613 . 1 1 46 46 TYR CA C 13 56.583 0 . 1 . . . . 46 TYR CA . 25825 1 614 . 1 1 46 46 TYR CB C 13 42.708 0 . 1 . . . . 46 TYR CB . 25825 1 615 . 1 1 46 46 TYR N N 15 126.549 0 . 1 . . . . 46 TYR N . 25825 1 616 . 1 1 47 47 SER H H 1 8.932 0 . 1 . . . . 47 SER HN . 25825 1 617 . 1 1 47 47 SER HA H 1 3.695 0 . 1 . . . . 47 SER HA . 25825 1 618 . 1 1 47 47 SER HB2 H 1 3.902 0 . 2 . . . . 47 SER HB2 . 25825 1 619 . 1 1 47 47 SER HB3 H 1 3.094 0 . 2 . . . . 47 SER HB3 . 25825 1 620 . 1 1 47 47 SER C C 13 175.062 0 . 1 . . . . 47 SER C . 25825 1 621 . 1 1 47 47 SER CA C 13 58.177 0 . 1 . . . . 47 SER CA . 25825 1 622 . 1 1 47 47 SER CB C 13 62.396 0 . 1 . . . . 47 SER CB . 25825 1 623 . 1 1 47 47 SER N N 15 126.53 0 . 1 . . . . 47 SER N . 25825 1 624 . 1 1 48 48 GLY H H 1 8.374 0 . 1 . . . . 48 GLY HN . 25825 1 625 . 1 1 48 48 GLY HA2 H 1 4.099 0 . 2 . . . . 48 GLY HA1 . 25825 1 626 . 1 1 48 48 GLY HA3 H 1 3.476 0 . 2 . . . . 48 GLY HA2 . 25825 1 627 . 1 1 48 48 GLY C C 13 173.44 0 . 1 . . . . 48 GLY C . 25825 1 628 . 1 1 48 48 GLY CA C 13 44.974 0 . 1 . . . . 48 GLY CA . 25825 1 629 . 1 1 48 48 GLY N N 15 103.367 0 . 1 . . . . 48 GLY N . 25825 1 630 . 1 1 49 49 LYS H H 1 7.77 0 . 1 . . . . 49 LYS HN . 25825 1 631 . 1 1 49 49 LYS HA H 1 4.651 0 . 1 . . . . 49 LYS HA . 25825 1 632 . 1 1 49 49 LYS HB2 H 1 1.875 0 . 2 . . . . 49 LYS QB . 25825 1 633 . 1 1 49 49 LYS HB3 H 1 1.875 0 . 2 . . . . 49 LYS QB . 25825 1 634 . 1 1 49 49 LYS HG2 H 1 1.438 0 . 2 . . . . 49 LYS QG . 25825 1 635 . 1 1 49 49 LYS HG3 H 1 1.438 0 . 2 . . . . 49 LYS QG . 25825 1 636 . 1 1 49 49 LYS HD2 H 1 1.727 0 . 2 . . . . 49 LYS QD . 25825 1 637 . 1 1 49 49 LYS HD3 H 1 1.727 0 . 2 . . . . 49 LYS QD . 25825 1 638 . 1 1 49 49 LYS HE2 H 1 3.048 0 . 2 . . . . 49 LYS QE . 25825 1 639 . 1 1 49 49 LYS HE3 H 1 3.048 0 . 2 . . . . 49 LYS QE . 25825 1 640 . 1 1 49 49 LYS C C 13 174.653 0 . 1 . . . . 49 LYS C . 25825 1 641 . 1 1 49 49 LYS CA C 13 54.264 0 . 1 . . . . 49 LYS CA . 25825 1 642 . 1 1 49 49 LYS CB C 13 34.549 0 . 1 . . . . 49 LYS CB . 25825 1 643 . 1 1 49 49 LYS CG C 13 24.427 0 . 1 . . . . 49 LYS CG . 25825 1 644 . 1 1 49 49 LYS CD C 13 28.927 0 . 1 . . . . 49 LYS CD . 25825 1 645 . 1 1 49 49 LYS CE C 13 42.146 0 . 1 . . . . 49 LYS CE . 25825 1 646 . 1 1 49 49 LYS N N 15 121.366 0 . 1 . . . . 49 LYS N . 25825 1 647 . 1 1 50 50 VAL H H 1 8.503 0 . 1 . . . . 50 VAL HN . 25825 1 648 . 1 1 50 50 VAL HA H 1 4.414 0 . 1 . . . . 50 VAL HA . 25825 1 649 . 1 1 50 50 VAL HB H 1 1.969 0 . 1 . . . . 50 VAL HB . 25825 1 650 . 1 1 50 50 VAL HG11 H 1 1.011 0 . 2 . . . . 50 VAL QG1 . 25825 1 651 . 1 1 50 50 VAL HG12 H 1 1.011 0 . 2 . . . . 50 VAL QG1 . 25825 1 652 . 1 1 50 50 VAL HG13 H 1 1.011 0 . 2 . . . . 50 VAL QG1 . 25825 1 653 . 1 1 50 50 VAL HG21 H 1 0.985 0 . 2 . . . . 50 VAL QG2 . 25825 1 654 . 1 1 50 50 VAL HG22 H 1 0.985 0 . 2 . . . . 50 VAL QG2 . 25825 1 655 . 1 1 50 50 VAL HG23 H 1 0.985 0 . 2 . . . . 50 VAL QG2 . 25825 1 656 . 1 1 50 50 VAL C C 13 177.408 0 . 1 . . . . 50 VAL C . 25825 1 657 . 1 1 50 50 VAL CA C 13 62.436 0 . 1 . . . . 50 VAL CA . 25825 1 658 . 1 1 50 50 VAL CB C 13 31.534 0 . 1 . . . . 50 VAL CB . 25825 1 659 . 1 1 50 50 VAL CG1 C 13 22.234 0 . 2 . . . . 50 VAL CG1 . 25825 1 660 . 1 1 50 50 VAL CG2 C 13 21.609 0 . 2 . . . . 50 VAL CG2 . 25825 1 661 . 1 1 50 50 VAL N N 15 123.848 0 . 1 . . . . 50 VAL N . 25825 1 662 . 1 1 51 51 LEU H H 1 8.667 0 . 1 . . . . 51 LEU HN . 25825 1 663 . 1 1 51 51 LEU HA H 1 4.564 0 . 1 . . . . 51 LEU HA . 25825 1 664 . 1 1 51 51 LEU HB2 H 1 1.744 0 . 2 . . . . 51 LEU HB2 . 25825 1 665 . 1 1 51 51 LEU HB3 H 1 1.46 0 . 2 . . . . 51 LEU HB3 . 25825 1 666 . 1 1 51 51 LEU HG H 1 1.81 0 . 1 . . . . 51 LEU HG . 25825 1 667 . 1 1 51 51 LEU HD11 H 1 1.06 0 . 2 . . . . 51 LEU QD1 . 25825 1 668 . 1 1 51 51 LEU HD12 H 1 1.06 0 . 2 . . . . 51 LEU QD1 . 25825 1 669 . 1 1 51 51 LEU HD13 H 1 1.06 0 . 2 . . . . 51 LEU QD1 . 25825 1 670 . 1 1 51 51 LEU HD21 H 1 0.937 0 . 2 . . . . 51 LEU QD2 . 25825 1 671 . 1 1 51 51 LEU HD22 H 1 0.937 0 . 2 . . . . 51 LEU QD2 . 25825 1 672 . 1 1 51 51 LEU HD23 H 1 0.937 0 . 2 . . . . 51 LEU QD2 . 25825 1 673 . 1 1 51 51 LEU C C 13 176.415 0 . 1 . . . . 51 LEU C . 25825 1 674 . 1 1 51 51 LEU CA C 13 54.572 0 . 1 . . . . 51 LEU CA . 25825 1 675 . 1 1 51 51 LEU CB C 13 41.865 0 . 1 . . . . 51 LEU CB . 25825 1 676 . 1 1 51 51 LEU CG C 13 26.115 0 . 1 . . . . 51 LEU CG . 25825 1 677 . 1 1 51 51 LEU CD1 C 13 22.068 0 . 2 . . . . 51 LEU CD1 . 25825 1 678 . 1 1 51 51 LEU CD2 C 13 25.834 0 . 2 . . . . 51 LEU CD2 . 25825 1 679 . 1 1 51 51 LEU N N 15 128.672 0 . 1 . . . . 51 LEU N . 25825 1 680 . 1 1 52 52 GLN H H 1 8.395 0 . 1 . . . . 52 GLN HN . 25825 1 681 . 1 1 52 52 GLN HA H 1 4.33 0 . 1 . . . . 52 GLN HA . 25825 1 682 . 1 1 52 52 GLN HB2 H 1 2.194 0 . 2 . . . . 52 GLN HB2 . 25825 1 683 . 1 1 52 52 GLN HB3 H 1 1.941 0 . 2 . . . . 52 GLN HB3 . 25825 1 684 . 1 1 52 52 GLN HG2 H 1 2.48 0 . 2 . . . . 52 GLN QG . 25825 1 685 . 1 1 52 52 GLN HG3 H 1 2.48 0 . 2 . . . . 52 GLN QG . 25825 1 686 . 1 1 52 52 GLN HE21 H 1 6.986 0 . 2 . . . . 52 GLN HE21 . 25825 1 687 . 1 1 52 52 GLN HE22 H 1 7.489 0 . 2 . . . . 52 GLN HE22 . 25825 1 688 . 1 1 52 52 GLN C C 13 176.191 0 . 1 . . . . 52 GLN C . 25825 1 689 . 1 1 52 52 GLN CA C 13 55.646 0 . 1 . . . . 52 GLN CA . 25825 1 690 . 1 1 52 52 GLN CB C 13 30.052 0 . 1 . . . . 52 GLN CB . 25825 1 691 . 1 1 52 52 GLN CG C 13 33.99 0 . 1 . . . . 52 GLN CG . 25825 1 692 . 1 1 52 52 GLN N N 15 123.01 0 . 1 . . . . 52 GLN N . 25825 1 693 . 1 1 52 52 GLN NE2 N 15 112.815 0 . 1 . . . . 52 GLN NE2 . 25825 1 694 . 1 1 53 53 ASP H H 1 8.108 0 . 1 . . . . 53 ASP HN . 25825 1 695 . 1 1 53 53 ASP HA H 1 4.274 0 . 1 . . . . 53 ASP HA . 25825 1 696 . 1 1 53 53 ASP HB2 H 1 2.621 0 . 2 . . . . 53 ASP HB2 . 25825 1 697 . 1 1 53 53 ASP HB3 H 1 2.556 0 . 2 . . . . 53 ASP HB3 . 25825 1 698 . 1 1 53 53 ASP C C 13 176.882 0 . 1 . . . . 53 ASP C . 25825 1 699 . 1 1 53 53 ASP CA C 13 57.601 0 . 1 . . . . 53 ASP CA . 25825 1 700 . 1 1 53 53 ASP CB C 13 41.88 0 . 1 . . . . 53 ASP CB . 25825 1 701 . 1 1 53 53 ASP N N 15 121.437 0 . 1 . . . . 53 ASP N . 25825 1 702 . 1 1 54 54 SER H H 1 7.925 0 . 1 . . . . 54 SER HN . 25825 1 703 . 1 1 54 54 SER HA H 1 4.426 0 . 1 . . . . 54 SER HA . 25825 1 704 . 1 1 54 54 SER HB2 H 1 3.9 0 . 2 . . . . 54 SER QB . 25825 1 705 . 1 1 54 54 SER HB3 H 1 3.9 0 . 2 . . . . 54 SER QB . 25825 1 706 . 1 1 54 54 SER C C 13 175.432 0 . 1 . . . . 54 SER C . 25825 1 707 . 1 1 54 54 SER CA C 13 59.021 0 . 1 . . . . 54 SER CA . 25825 1 708 . 1 1 54 54 SER CB C 13 63.239 0 . 1 . . . . 54 SER CB . 25825 1 709 . 1 1 54 54 SER N N 15 108.882 0 . 1 . . . . 54 SER N . 25825 1 710 . 1 1 55 55 LYS H H 1 7.497 0 . 1 . . . . 55 LYS HN . 25825 1 711 . 1 1 55 55 LYS HA H 1 4.547 0 . 1 . . . . 55 LYS HA . 25825 1 712 . 1 1 55 55 LYS HB2 H 1 1.906 0 . 2 . . . . 55 LYS HB2 . 25825 1 713 . 1 1 55 55 LYS HB3 H 1 1.812 0 . 2 . . . . 55 LYS HB3 . 25825 1 714 . 1 1 55 55 LYS HG2 H 1 1.622 0 . 2 . . . . 55 LYS HG2 . 25825 1 715 . 1 1 55 55 LYS HG3 H 1 1.382 0 . 2 . . . . 55 LYS HG3 . 25825 1 716 . 1 1 55 55 LYS HD2 H 1 1.693 0 . 2 . . . . 55 LYS QD . 25825 1 717 . 1 1 55 55 LYS HD3 H 1 1.693 0 . 2 . . . . 55 LYS QD . 25825 1 718 . 1 1 55 55 LYS HE2 H 1 2.977 0 . 2 . . . . 55 LYS QE . 25825 1 719 . 1 1 55 55 LYS HE3 H 1 2.977 0 . 2 . . . . 55 LYS QE . 25825 1 720 . 1 1 55 55 LYS C C 13 176.133 0 . 1 . . . . 55 LYS C . 25825 1 721 . 1 1 55 55 LYS CA C 13 54.827 0 . 1 . . . . 55 LYS CA . 25825 1 722 . 1 1 55 55 LYS CB C 13 33.996 0 . 1 . . . . 55 LYS CB . 25825 1 723 . 1 1 55 55 LYS CG C 13 25.55 0 . 1 . . . . 55 LYS CG . 25825 1 724 . 1 1 55 55 LYS CD C 13 28.928 0 . 1 . . . . 55 LYS CD . 25825 1 725 . 1 1 55 55 LYS CE C 13 41.033 0 . 1 . . . . 55 LYS CE . 25825 1 726 . 1 1 55 55 LYS N N 15 121.642 0 . 1 . . . . 55 LYS N . 25825 1 727 . 1 1 56 56 THR H H 1 8.815 0 . 1 . . . . 56 THR HN . 25825 1 728 . 1 1 56 56 THR HA H 1 5.128 0 . 1 . . . . 56 THR HA . 25825 1 729 . 1 1 56 56 THR HB H 1 4.739 0 . 1 . . . . 56 THR HB . 25825 1 730 . 1 1 56 56 THR HG21 H 1 1.17 0 . 1 . . . . 56 THR QG2 . 25825 1 731 . 1 1 56 56 THR HG22 H 1 1.17 0 . 1 . . . . 56 THR QG2 . 25825 1 732 . 1 1 56 56 THR HG23 H 1 1.17 0 . 1 . . . . 56 THR QG2 . 25825 1 733 . 1 1 56 56 THR C C 13 176.425 0 . 1 . . . . 56 THR C . 25825 1 734 . 1 1 56 56 THR CA C 13 59.857 0 . 1 . . . . 56 THR CA . 25825 1 735 . 1 1 56 56 THR CB C 13 71.441 0 . 1 . . . . 56 THR CB . 25825 1 736 . 1 1 56 56 THR CG2 C 13 21.615 0 . 1 . . . . 56 THR CG2 . 25825 1 737 . 1 1 56 56 THR N N 15 109.245 0 . 1 . . . . 56 THR N . 25825 1 738 . 1 1 57 57 VAL H H 1 8.627 0 . 1 . . . . 57 VAL HN . 25825 1 739 . 1 1 57 57 VAL HA H 1 3.371 0 . 1 . . . . 57 VAL HA . 25825 1 740 . 1 1 57 57 VAL HB H 1 2.272 0 . 1 . . . . 57 VAL HB . 25825 1 741 . 1 1 57 57 VAL HG11 H 1 0.836 0 . 2 . . . . 57 VAL QG1 . 25825 1 742 . 1 1 57 57 VAL HG12 H 1 0.836 0 . 2 . . . . 57 VAL QG1 . 25825 1 743 . 1 1 57 57 VAL HG13 H 1 0.836 0 . 2 . . . . 57 VAL QG1 . 25825 1 744 . 1 1 57 57 VAL HG21 H 1 0.741 0 . 2 . . . . 57 VAL QG2 . 25825 1 745 . 1 1 57 57 VAL HG22 H 1 0.741 0 . 2 . . . . 57 VAL QG2 . 25825 1 746 . 1 1 57 57 VAL HG23 H 1 0.741 0 . 2 . . . . 57 VAL QG2 . 25825 1 747 . 1 1 57 57 VAL C C 13 178.606 0 . 1 . . . . 57 VAL C . 25825 1 748 . 1 1 57 57 VAL CA C 13 67.286 0 . 1 . . . . 57 VAL CA . 25825 1 749 . 1 1 57 57 VAL CB C 13 32.333 0 . 1 . . . . 57 VAL CB . 25825 1 750 . 1 1 57 57 VAL CG1 C 13 23.107 0 . 2 . . . . 57 VAL CG1 . 25825 1 751 . 1 1 57 57 VAL CG2 C 13 21.615 0 . 2 . . . . 57 VAL CG2 . 25825 1 752 . 1 1 57 57 VAL N N 15 122.279 0 . 1 . . . . 57 VAL N . 25825 1 753 . 1 1 58 58 SER H H 1 8.62 0 . 1 . . . . 58 SER HN . 25825 1 754 . 1 1 58 58 SER HA H 1 4.283 0 . 1 . . . . 58 SER HA . 25825 1 755 . 1 1 58 58 SER HB2 H 1 3.881 0 . 2 . . . . 58 SER HB2 . 25825 1 756 . 1 1 58 58 SER HB3 H 1 3.803 0 . 2 . . . . 58 SER HB3 . 25825 1 757 . 1 1 58 58 SER C C 13 179.589 0 . 1 . . . . 58 SER C . 25825 1 758 . 1 1 58 58 SER CA C 13 60.989 0 . 1 . . . . 58 SER CA . 25825 1 759 . 1 1 58 58 SER CB C 13 62.958 0 . 1 . . . . 58 SER CB . 25825 1 760 . 1 1 58 58 SER N N 15 112.081 0 . 1 . . . . 58 SER N . 25825 1 761 . 1 1 59 59 GLU H H 1 8.225 0 . 1 . . . . 59 GLU HN . 25825 1 762 . 1 1 59 59 GLU HA H 1 4.084 0 . 1 . . . . 59 GLU HA . 25825 1 763 . 1 1 59 59 GLU HB2 H 1 2.48 0 . 2 . . . . 59 GLU HB2 . 25825 1 764 . 1 1 59 59 GLU HB3 H 1 2.054 0 . 2 . . . . 59 GLU HB3 . 25825 1 765 . 1 1 59 59 GLU HG2 H 1 2.442 0 . 2 . . . . 59 GLU HG2 . 25825 1 766 . 1 1 59 59 GLU HG3 H 1 2.355 0 . 2 . . . . 59 GLU HG3 . 25825 1 767 . 1 1 59 59 GLU C C 13 179.171 0 . 1 . . . . 59 GLU C . 25825 1 768 . 1 1 59 59 GLU CA C 13 58.739 0 . 1 . . . . 59 GLU CA . 25825 1 769 . 1 1 59 59 GLU CB C 13 30.135 0 . 1 . . . . 59 GLU CB . 25825 1 770 . 1 1 59 59 GLU CG C 13 37.365 0 . 1 . . . . 59 GLU CG . 25825 1 771 . 1 1 59 59 GLU N N 15 124.451 0 . 1 . . . . 59 GLU N . 25825 1 772 . 1 1 60 60 CYS H H 1 7.843 0 . 1 . . . . 60 CYS HN . 25825 1 773 . 1 1 60 60 CYS HA H 1 4.345 0 . 1 . . . . 60 CYS HA . 25825 1 774 . 1 1 60 60 CYS HB2 H 1 3.094 0 . 2 . . . . 60 CYS HB2 . 25825 1 775 . 1 1 60 60 CYS HB3 H 1 2.822 0 . 2 . . . . 60 CYS HB3 . 25825 1 776 . 1 1 60 60 CYS C C 13 174.215 0 . 1 . . . . 60 CYS C . 25825 1 777 . 1 1 60 60 CYS CA C 13 61.271 0 . 1 . . . . 60 CYS CA . 25825 1 778 . 1 1 60 60 CYS CB C 13 27.521 0 . 1 . . . . 60 CYS CB . 25825 1 779 . 1 1 60 60 CYS N N 15 115.49 0 . 1 . . . . 60 CYS N . 25825 1 780 . 1 1 61 61 GLY H H 1 7.984 0 . 1 . . . . 61 GLY HN . 25825 1 781 . 1 1 61 61 GLY HA2 H 1 4.081 0 . 2 . . . . 61 GLY HA1 . 25825 1 782 . 1 1 61 61 GLY HA3 H 1 3.775 0 . 2 . . . . 61 GLY HA2 . 25825 1 783 . 1 1 61 61 GLY C C 13 173.671 0 . 1 . . . . 61 GLY C . 25825 1 784 . 1 1 61 61 GLY CA C 13 45.256 0 . 1 . . . . 61 GLY CA . 25825 1 785 . 1 1 61 61 GLY N N 15 107.086 0 . 1 . . . . 61 GLY N . 25825 1 786 . 1 1 62 62 LEU H H 1 6.684 0 . 1 . . . . 62 LEU HN . 25825 1 787 . 1 1 62 62 LEU HA H 1 4.124 0 . 1 . . . . 62 LEU HA . 25825 1 788 . 1 1 62 62 LEU HB2 H 1 1.646 0 . 2 . . . . 62 LEU HB2 . 25825 1 789 . 1 1 62 62 LEU HB3 H 1 0.933 0 . 2 . . . . 62 LEU HB3 . 25825 1 790 . 1 1 62 62 LEU HG H 1 1.045 0 . 1 . . . . 62 LEU HG . 25825 1 791 . 1 1 62 62 LEU HD11 H 1 0.612 0 . 2 . . . . 62 LEU QD1 . 25825 1 792 . 1 1 62 62 LEU HD12 H 1 0.612 0 . 2 . . . . 62 LEU QD1 . 25825 1 793 . 1 1 62 62 LEU HD13 H 1 0.612 0 . 2 . . . . 62 LEU QD1 . 25825 1 794 . 1 1 62 62 LEU HD21 H 1 -0.152 0 . 2 . . . . 62 LEU QD2 . 25825 1 795 . 1 1 62 62 LEU HD22 H 1 -0.152 0 . 2 . . . . 62 LEU QD2 . 25825 1 796 . 1 1 62 62 LEU HD23 H 1 -0.152 0 . 2 . . . . 62 LEU QD2 . 25825 1 797 . 1 1 62 62 LEU C C 13 175.529 0 . 1 . . . . 62 LEU C . 25825 1 798 . 1 1 62 62 LEU CA C 13 54.679 0 . 1 . . . . 62 LEU CA . 25825 1 799 . 1 1 62 62 LEU CB C 13 42.395 0 . 1 . . . . 62 LEU CB . 25825 1 800 . 1 1 62 62 LEU CG C 13 27.374 0 . 1 . . . . 62 LEU CG . 25825 1 801 . 1 1 62 62 LEU CD1 C 13 24.848 0 . 2 . . . . 62 LEU CD1 . 25825 1 802 . 1 1 62 62 LEU CD2 C 13 22.373 0 . 2 . . . . 62 LEU CD2 . 25825 1 803 . 1 1 62 62 LEU N N 15 118.665 0 . 1 . . . . 62 LEU N . 25825 1 804 . 1 1 63 63 LYS H H 1 8.892 0 . 1 . . . . 63 LYS HN . 25825 1 805 . 1 1 63 63 LYS HA H 1 4.434 0 . 1 . . . . 63 LYS HA . 25825 1 806 . 1 1 63 63 LYS HB2 H 1 1.755 0 . 2 . . . . 63 LYS HB2 . 25825 1 807 . 1 1 63 63 LYS HB3 H 1 1.704 0 . 2 . . . . 63 LYS HB3 . 25825 1 808 . 1 1 63 63 LYS HG2 H 1 1.471 0 . 2 . . . . 63 LYS HG2 . 25825 1 809 . 1 1 63 63 LYS HG3 H 1 1.343 0 . 2 . . . . 63 LYS HG3 . 25825 1 810 . 1 1 63 63 LYS HD2 H 1 1.654 0 . 2 . . . . 63 LYS QD . 25825 1 811 . 1 1 63 63 LYS HD3 H 1 1.654 0 . 2 . . . . 63 LYS QD . 25825 1 812 . 1 1 63 63 LYS HE2 H 1 3.037 0 . 2 . . . . 63 LYS QE . 25825 1 813 . 1 1 63 63 LYS HE3 H 1 3.037 0 . 2 . . . . 63 LYS QE . 25825 1 814 . 1 1 63 63 LYS C C 13 174.195 0 . 1 . . . . 63 LYS C . 25825 1 815 . 1 1 63 63 LYS CA C 13 53.677 0 . 1 . . . . 63 LYS CA . 25825 1 816 . 1 1 63 63 LYS CB C 13 35.115 0 . 1 . . . . 63 LYS CB . 25825 1 817 . 1 1 63 63 LYS CG C 13 23.021 0 . 1 . . . . 63 LYS CG . 25825 1 818 . 1 1 63 63 LYS CD C 13 28.646 0 . 1 . . . . 63 LYS CD . 25825 1 819 . 1 1 63 63 LYS CE C 13 41.865 0 . 1 . . . . 63 LYS CE . 25825 1 820 . 1 1 63 63 LYS N N 15 121.425 0 . 1 . . . . 63 LYS N . 25825 1 821 . 1 1 64 64 ASP H H 1 8.195 0 . 1 . . . . 64 ASP HN . 25825 1 822 . 1 1 64 64 ASP HA H 1 4.367 0 . 1 . . . . 64 ASP HA . 25825 1 823 . 1 1 64 64 ASP HB2 H 1 2.636 0 . 2 . . . . 64 ASP HB2 . 25825 1 824 . 1 1 64 64 ASP HB3 H 1 2.614 0 . 2 . . . . 64 ASP HB3 . 25825 1 825 . 1 1 64 64 ASP C C 13 177.515 0 . 1 . . . . 64 ASP C . 25825 1 826 . 1 1 64 64 ASP CA C 13 56.489 0 . 1 . . . . 64 ASP CA . 25825 1 827 . 1 1 64 64 ASP CB C 13 41.865 0 . 1 . . . . 64 ASP CB . 25825 1 828 . 1 1 64 64 ASP N N 15 117.176 0 . 1 . . . . 64 ASP N . 25825 1 829 . 1 1 65 65 GLY H H 1 9.128 0 . 1 . . . . 65 GLY HN . 25825 1 830 . 1 1 65 65 GLY HA2 H 1 4.315 0 . 2 . . . . 65 GLY HA1 . 25825 1 831 . 1 1 65 65 GLY HA3 H 1 3.701 0 . 2 . . . . 65 GLY HA2 . 25825 1 832 . 1 1 65 65 GLY C C 13 175.071 0 . 1 . . . . 65 GLY C . 25825 1 833 . 1 1 65 65 GLY CA C 13 44.958 0 . 1 . . . . 65 GLY CA . 25825 1 834 . 1 1 65 65 GLY N N 15 113.678 0 . 1 . . . . 65 GLY N . 25825 1 835 . 1 1 66 66 ASP H H 1 8.106 0 . 1 . . . . 66 ASP HN . 25825 1 836 . 1 1 66 66 ASP HA H 1 4.738 0 . 1 . . . . 66 ASP HA . 25825 1 837 . 1 1 66 66 ASP HB2 H 1 2.811 0 . 2 . . . . 66 ASP HB2 . 25825 1 838 . 1 1 66 66 ASP HB3 H 1 2.344 0 . 2 . . . . 66 ASP HB3 . 25825 1 839 . 1 1 66 66 ASP C C 13 174.662 0 . 1 . . . . 66 ASP C . 25825 1 840 . 1 1 66 66 ASP CA C 13 55.442 0 . 1 . . . . 66 ASP CA . 25825 1 841 . 1 1 66 66 ASP CB C 13 41.583 0 . 1 . . . . 66 ASP CB . 25825 1 842 . 1 1 66 66 ASP N N 15 122.208 0 . 1 . . . . 66 ASP N . 25825 1 843 . 1 1 67 67 GLN H H 1 8.299 0 . 1 . . . . 67 GLN HN . 25825 1 844 . 1 1 67 67 GLN HA H 1 5.318 0 . 1 . . . . 67 GLN HA . 25825 1 845 . 1 1 67 67 GLN HB2 H 1 1.971 0 . 2 . . . . 67 GLN HB2 . 25825 1 846 . 1 1 67 67 GLN HB3 H 1 1.825 0 . 2 . . . . 67 GLN HB3 . 25825 1 847 . 1 1 67 67 GLN HG2 H 1 2.434 0 . 2 . . . . 67 GLN HG2 . 25825 1 848 . 1 1 67 67 GLN HG3 H 1 2.088 0 . 2 . . . . 67 GLN HG3 . 25825 1 849 . 1 1 67 67 GLN HE21 H 1 6.871 0 . 2 . . . . 67 GLN HE21 . 25825 1 850 . 1 1 67 67 GLN HE22 H 1 7.57 0 . 2 . . . . 67 GLN HE22 . 25825 1 851 . 1 1 67 67 GLN C C 13 174.731 0 . 1 . . . . 67 GLN C . 25825 1 852 . 1 1 67 67 GLN CA C 13 53.396 0 . 1 . . . . 67 GLN CA . 25825 1 853 . 1 1 67 67 GLN CB C 13 30.902 0 . 1 . . . . 67 GLN CB . 25825 1 854 . 1 1 67 67 GLN CG C 13 33.99 0 . 1 . . . . 67 GLN CG . 25825 1 855 . 1 1 67 67 GLN N N 15 116.867 0 . 1 . . . . 67 GLN N . 25825 1 856 . 1 1 67 67 GLN NE2 N 15 111.738 0 . 1 . . . . 67 GLN NE2 . 25825 1 857 . 1 1 68 68 VAL H H 1 8.674 0 . 1 . . . . 68 VAL HN . 25825 1 858 . 1 1 68 68 VAL HA H 1 4.314 0 . 1 . . . . 68 VAL HA . 25825 1 859 . 1 1 68 68 VAL HB H 1 1.337 0 . 1 . . . . 68 VAL HB . 25825 1 860 . 1 1 68 68 VAL HG11 H 1 1.059 0 . 2 . . . . 68 VAL QG1 . 25825 1 861 . 1 1 68 68 VAL HG12 H 1 1.059 0 . 2 . . . . 68 VAL QG1 . 25825 1 862 . 1 1 68 68 VAL HG13 H 1 1.059 0 . 2 . . . . 68 VAL QG1 . 25825 1 863 . 1 1 68 68 VAL HG21 H 1 0.466 0 . 2 . . . . 68 VAL QG2 . 25825 1 864 . 1 1 68 68 VAL HG22 H 1 0.466 0 . 2 . . . . 68 VAL QG2 . 25825 1 865 . 1 1 68 68 VAL HG23 H 1 0.466 0 . 2 . . . . 68 VAL QG2 . 25825 1 866 . 1 1 68 68 VAL C C 13 174.916 0 . 1 . . . . 68 VAL C . 25825 1 867 . 1 1 68 68 VAL CA C 13 61.099 0 . 1 . . . . 68 VAL CA . 25825 1 868 . 1 1 68 68 VAL CB C 13 34.74 0 . 1 . . . . 68 VAL CB . 25825 1 869 . 1 1 68 68 VAL CG1 C 13 23.017 0 . 2 . . . . 68 VAL CG1 . 25825 1 870 . 1 1 68 68 VAL CG2 C 13 22.177 0 . 2 . . . . 68 VAL CG2 . 25825 1 871 . 1 1 68 68 VAL N N 15 124.869 0 . 1 . . . . 68 VAL N . 25825 1 872 . 1 1 69 69 VAL H H 1 8.528 0 . 1 . . . . 69 VAL HN . 25825 1 873 . 1 1 69 69 VAL HA H 1 5.133 0 . 1 . . . . 69 VAL HA . 25825 1 874 . 1 1 69 69 VAL HB H 1 2.132 0 . 1 . . . . 69 VAL HB . 25825 1 875 . 1 1 69 69 VAL HG11 H 1 1.021 0 . 2 . . . . 69 VAL QG1 . 25825 1 876 . 1 1 69 69 VAL HG12 H 1 1.021 0 . 2 . . . . 69 VAL QG1 . 25825 1 877 . 1 1 69 69 VAL HG13 H 1 1.021 0 . 2 . . . . 69 VAL QG1 . 25825 1 878 . 1 1 69 69 VAL HG21 H 1 0.851 0 . 2 . . . . 69 VAL QG2 . 25825 1 879 . 1 1 69 69 VAL HG22 H 1 0.851 0 . 2 . . . . 69 VAL QG2 . 25825 1 880 . 1 1 69 69 VAL HG23 H 1 0.851 0 . 2 . . . . 69 VAL QG2 . 25825 1 881 . 1 1 69 69 VAL C C 13 175.568 0 . 1 . . . . 69 VAL C . 25825 1 882 . 1 1 69 69 VAL CA C 13 61.552 0 . 1 . . . . 69 VAL CA . 25825 1 883 . 1 1 69 69 VAL CB C 13 32.95 0 . 1 . . . . 69 VAL CB . 25825 1 884 . 1 1 69 69 VAL CG1 C 13 22.177 0 . 2 . . . . 69 VAL CG1 . 25825 1 885 . 1 1 69 69 VAL CG2 C 13 21.052 0 . 2 . . . . 69 VAL CG2 . 25825 1 886 . 1 1 69 69 VAL N N 15 128.348 0 . 1 . . . . 69 VAL N . 25825 1 887 . 1 1 70 70 PHE H H 1 8.711 0 . 1 . . . . 70 PHE HN . 25825 1 888 . 1 1 70 70 PHE HA H 1 6.255 0 . 1 . . . . 70 PHE HA . 25825 1 889 . 1 1 70 70 PHE HB2 H 1 2.873 0 . 2 . . . . 70 PHE HB2 . 25825 1 890 . 1 1 70 70 PHE HB3 H 1 2.769 0 . 2 . . . . 70 PHE HB3 . 25825 1 891 . 1 1 70 70 PHE HD1 H 1 7.003 0 . 3 . . . . 70 PHE QD . 25825 1 892 . 1 1 70 70 PHE HD2 H 1 7.003 0 . 3 . . . . 70 PHE QD . 25825 1 893 . 1 1 70 70 PHE HE1 H 1 7.169 0 . 3 . . . . 70 PHE QE . 25825 1 894 . 1 1 70 70 PHE HE2 H 1 7.169 0 . 3 . . . . 70 PHE QE . 25825 1 895 . 1 1 70 70 PHE C C 13 173.065 0 . 1 . . . . 70 PHE C . 25825 1 896 . 1 1 70 70 PHE CA C 13 53.958 0 . 1 . . . . 70 PHE CA . 25825 1 897 . 1 1 70 70 PHE CB C 13 44.677 0 . 1 . . . . 70 PHE CB . 25825 1 898 . 1 1 70 70 PHE N N 15 122.699 0 . 1 . . . . 70 PHE N . 25825 1 899 . 1 1 71 71 MET H H 1 8.772 0 . 1 . . . . 71 MET HN . 25825 1 900 . 1 1 71 71 MET HA H 1 4.678 0 . 1 . . . . 71 MET HA . 25825 1 901 . 1 1 71 71 MET HB2 H 1 2.129 0 . 2 . . . . 71 MET HB2 . 25825 1 902 . 1 1 71 71 MET HB3 H 1 1.86 0 . 2 . . . . 71 MET HB3 . 25825 1 903 . 1 1 71 71 MET HG2 H 1 2.458 0 . 2 . . . . 71 MET HG2 . 25825 1 904 . 1 1 71 71 MET HG3 H 1 2.394 0 . 2 . . . . 71 MET HG3 . 25825 1 905 . 1 1 71 71 MET HE1 H 1 2.022 0 . 1 . . . . 71 MET HE# . 25825 1 906 . 1 1 71 71 MET HE2 H 1 2.022 0 . 1 . . . . 71 MET HE# . 25825 1 907 . 1 1 71 71 MET HE3 H 1 2.022 0 . 1 . . . . 71 MET HE# . 25825 1 908 . 1 1 71 71 MET C C 13 174.575 0 . 1 . . . . 71 MET C . 25825 1 909 . 1 1 71 71 MET CA C 13 54.062 0 . 1 . . . . 71 MET CA . 25825 1 910 . 1 1 71 71 MET CB C 13 36.24 0 . 1 . . . . 71 MET CB . 25825 1 911 . 1 1 71 71 MET CG C 13 31.458 0 . 1 . . . . 71 MET CG . 25825 1 912 . 1 1 71 71 MET CE C 13 17.105 0 . 1 . . . . 71 MET CE . 25825 1 913 . 1 1 71 71 MET N N 15 119.009 0 . 1 . . . . 71 MET N . 25825 1 914 . 1 1 72 72 VAL H H 1 8.657 0 . 1 . . . . 72 VAL HN . 25825 1 915 . 1 1 72 72 VAL HA H 1 4.834 0 . 1 . . . . 72 VAL HA . 25825 1 916 . 1 1 72 72 VAL HB H 1 2.033 0 . 1 . . . . 72 VAL HB . 25825 1 917 . 1 1 72 72 VAL HG11 H 1 1.12 0 . 2 . . . . 72 VAL QG1 . 25825 1 918 . 1 1 72 72 VAL HG12 H 1 1.12 0 . 2 . . . . 72 VAL QG1 . 25825 1 919 . 1 1 72 72 VAL HG13 H 1 1.12 0 . 2 . . . . 72 VAL QG1 . 25825 1 920 . 1 1 72 72 VAL HG21 H 1 0.964 0 . 2 . . . . 72 VAL QG2 . 25825 1 921 . 1 1 72 72 VAL HG22 H 1 0.964 0 . 2 . . . . 72 VAL QG2 . 25825 1 922 . 1 1 72 72 VAL HG23 H 1 0.964 0 . 2 . . . . 72 VAL QG2 . 25825 1 923 . 1 1 72 72 VAL C C 13 176.503 0 . 1 . . . . 72 VAL C . 25825 1 924 . 1 1 72 72 VAL CA C 13 61.223 0 . 1 . . . . 72 VAL CA . 25825 1 925 . 1 1 72 72 VAL CB C 13 33.753 0 . 1 . . . . 72 VAL CB . 25825 1 926 . 1 1 72 72 VAL CG1 C 13 21.896 0 . 2 . . . . 72 VAL CG1 . 25825 1 927 . 1 1 72 72 VAL CG2 C 13 21.615 0 . 2 . . . . 72 VAL CG2 . 25825 1 928 . 1 1 72 72 VAL N N 15 124.132 0 . 1 . . . . 72 VAL N . 25825 1 929 . 1 1 73 73 SER H H 1 9.333 0 . 1 . . . . 73 SER HN . 25825 1 930 . 1 1 73 73 SER HA H 1 4.635 0 . 1 . . . . 73 SER HA . 25825 1 931 . 1 1 73 73 SER HB2 H 1 3.933 0 . 2 . . . . 73 SER QB . 25825 1 932 . 1 1 73 73 SER HB3 H 1 3.933 0 . 2 . . . . 73 SER QB . 25825 1 933 . 1 1 73 73 SER C C 13 173.851 0 . 1 . . . . 73 SER C . 25825 1 934 . 1 1 73 73 SER CA C 13 57.614 0 . 1 . . . . 73 SER CA . 25825 1 935 . 1 1 73 73 SER CB C 13 64.364 0 . 1 . . . . 73 SER CB . 25825 1 936 . 1 1 73 73 SER N N 15 124.828 0 . 1 . . . . 73 SER N . 25825 1 937 . 1 1 74 74 GLN H H 1 8.589 0 . 1 . . . . 74 GLN HN . 25825 1 938 . 1 1 74 74 GLN HA H 1 4.295 0 . 1 . . . . 74 GLN HA . 25825 1 939 . 1 1 74 74 GLN HB2 H 1 2.097 0 . 2 . . . . 74 GLN HB2 . 25825 1 940 . 1 1 74 74 GLN HB3 H 1 1.978 0 . 2 . . . . 74 GLN HB3 . 25825 1 941 . 1 1 74 74 GLN HG2 H 1 2.424 0 . 2 . . . . 74 GLN QG . 25825 1 942 . 1 1 74 74 GLN HG3 H 1 2.424 0 . 2 . . . . 74 GLN QG . 25825 1 943 . 1 1 74 74 GLN HE21 H 1 6.918 0 . 2 . . . . 74 GLN HE21 . 25825 1 944 . 1 1 74 74 GLN HE22 H 1 7.584 0 . 2 . . . . 74 GLN HE22 . 25825 1 945 . 1 1 74 74 GLN C C 13 176.22 0 . 1 . . . . 74 GLN C . 25825 1 946 . 1 1 74 74 GLN CA C 13 55.68 0 . 1 . . . . 74 GLN CA . 25825 1 947 . 1 1 74 74 GLN CB C 13 29.771 0 . 1 . . . . 74 GLN CB . 25825 1 948 . 1 1 74 74 GLN CG C 13 33.708 0 . 1 . . . . 74 GLN CG . 25825 1 949 . 1 1 74 74 GLN N N 15 121.736 0 . 1 . . . . 74 GLN N . 25825 1 950 . 1 1 74 74 GLN NE2 N 15 112.642 0 . 1 . . . . 74 GLN NE2 . 25825 1 951 . 1 1 75 75 LYS H H 1 8.543 0 . 1 . . . . 75 LYS HN . 25825 1 952 . 1 1 75 75 LYS HA H 1 4.202 0 . 1 . . . . 75 LYS HA . 25825 1 953 . 1 1 75 75 LYS HB2 H 1 1.786 0 . 2 . . . . 75 LYS HB2 . 25825 1 954 . 1 1 75 75 LYS HB3 H 1 1.686 0 . 2 . . . . 75 LYS HB3 . 25825 1 955 . 1 1 75 75 LYS HG2 H 1 1.427 0 . 2 . . . . 75 LYS HG2 . 25825 1 956 . 1 1 75 75 LYS HG3 H 1 1.378 0 . 2 . . . . 75 LYS HG3 . 25825 1 957 . 1 1 75 75 LYS HD2 H 1 1.663 0 . 2 . . . . 75 LYS QD . 25825 1 958 . 1 1 75 75 LYS HD3 H 1 1.663 0 . 2 . . . . 75 LYS QD . 25825 1 959 . 1 1 75 75 LYS HE2 H 1 2.946 0 . 2 . . . . 75 LYS QE . 25825 1 960 . 1 1 75 75 LYS HE3 H 1 2.946 0 . 2 . . . . 75 LYS QE . 25825 1 961 . 1 1 75 75 LYS C C 13 176.357 0 . 1 . . . . 75 LYS C . 25825 1 962 . 1 1 75 75 LYS CA C 13 56.878 0 . 1 . . . . 75 LYS CA . 25825 1 963 . 1 1 75 75 LYS CB C 13 33.146 0 . 1 . . . . 75 LYS CB . 25825 1 964 . 1 1 75 75 LYS CG C 13 24.99 0 . 1 . . . . 75 LYS CG . 25825 1 965 . 1 1 75 75 LYS CD C 13 29.209 0 . 1 . . . . 75 LYS CD . 25825 1 966 . 1 1 75 75 LYS CE C 13 41.865 0 . 1 . . . . 75 LYS CE . 25825 1 967 . 1 1 75 75 LYS N N 15 123.746 0 . 1 . . . . 75 LYS N . 25825 1 968 . 1 1 76 76 LYS H H 1 8.485 0 . 1 . . . . 76 LYS HN . 25825 1 969 . 1 1 76 76 LYS HA H 1 4.34 0 . 1 . . . . 76 LYS HA . 25825 1 970 . 1 1 76 76 LYS HB2 H 1 1.824 0 . 2 . . . . 76 LYS HB2 . 25825 1 971 . 1 1 76 76 LYS HB3 H 1 1.749 0 . 2 . . . . 76 LYS HB3 . 25825 1 972 . 1 1 76 76 LYS HG2 H 1 1.43 0 . 2 . . . . 76 LYS QG . 25825 1 973 . 1 1 76 76 LYS HG3 H 1 1.43 0 . 2 . . . . 76 LYS QG . 25825 1 974 . 1 1 76 76 LYS HD2 H 1 1.673 0 . 2 . . . . 76 LYS QD . 25825 1 975 . 1 1 76 76 LYS HD3 H 1 1.673 0 . 2 . . . . 76 LYS QD . 25825 1 976 . 1 1 76 76 LYS HE2 H 1 2.988 0 . 2 . . . . 76 LYS QE . 25825 1 977 . 1 1 76 76 LYS HE3 H 1 2.988 0 . 2 . . . . 76 LYS QE . 25825 1 978 . 1 1 76 76 LYS C C 13 176.59 0 . 1 . . . . 76 LYS C . 25825 1 979 . 1 1 76 76 LYS CA C 13 56.208 0 . 1 . . . . 76 LYS CA . 25825 1 980 . 1 1 76 76 LYS CB C 13 33.146 0 . 1 . . . . 76 LYS CB . 25825 1 981 . 1 1 76 76 LYS CG C 13 24.709 0 . 1 . . . . 76 LYS CG . 25825 1 982 . 1 1 76 76 LYS CD C 13 28.927 0 . 1 . . . . 76 LYS CD . 25825 1 983 . 1 1 76 76 LYS CE C 13 41.865 0 . 1 . . . . 76 LYS CE . 25825 1 984 . 1 1 76 76 LYS N N 15 123.767 0 . 1 . . . . 76 LYS N . 25825 1 985 . 1 1 77 77 SER H H 1 8.453 0 . 1 . . . . 77 SER HN . 25825 1 986 . 1 1 77 77 SER HA H 1 4.479 0 . 1 . . . . 77 SER HA . 25825 1 987 . 1 1 77 77 SER HB2 H 1 3.908 0 . 2 . . . . 77 SER QB . 25825 1 988 . 1 1 77 77 SER HB3 H 1 3.908 0 . 2 . . . . 77 SER QB . 25825 1 989 . 1 1 77 77 SER C C 13 174.701 0 . 1 . . . . 77 SER C . 25825 1 990 . 1 1 77 77 SER CA C 13 58.177 0 . 1 . . . . 77 SER CA . 25825 1 991 . 1 1 77 77 SER CB C 13 63.802 0 . 1 . . . . 77 SER CB . 25825 1 992 . 1 1 77 77 SER N N 15 117.796 0 . 1 . . . . 77 SER N . 25825 1 993 . 1 1 78 78 THR H H 1 8.157 0 . 1 . . . . 78 THR HN . 25825 1 994 . 1 1 78 78 THR HA H 1 4.314 0 . 1 . . . . 78 THR HA . 25825 1 995 . 1 1 78 78 THR HB H 1 4.242 0 . 1 . . . . 78 THR HB . 25825 1 996 . 1 1 78 78 THR HG21 H 1 1.174 0 . 1 . . . . 78 THR QG2 . 25825 1 997 . 1 1 78 78 THR HG22 H 1 1.174 0 . 1 . . . . 78 THR QG2 . 25825 1 998 . 1 1 78 78 THR HG23 H 1 1.174 0 . 1 . . . . 78 THR QG2 . 25825 1 999 . 1 1 78 78 THR C C 13 174.043 0 . 1 . . . . 78 THR C . 25825 1 1000 . 1 1 78 78 THR CA C 13 61.622 0 . 1 . . . . 78 THR CA . 25825 1 1001 . 1 1 78 78 THR CB C 13 69.68 0 . 1 . . . . 78 THR CB . 25825 1 1002 . 1 1 78 78 THR CG2 C 13 21.334 0 . 1 . . . . 78 THR CG2 . 25825 1 1003 . 1 1 78 78 THR N N 15 115.324 0 . 1 . . . . 78 THR N . 25825 1 1004 . 1 1 79 79 ASP H H 1 8.28 0 . 1 . . . . 79 ASP HN . 25825 1 1005 . 1 1 79 79 ASP HA H 1 4.878 0 . 1 . . . . 79 ASP HA . 25825 1 1006 . 1 1 79 79 ASP HB2 H 1 2.774 0 . 2 . . . . 79 ASP HB2 . 25825 1 1007 . 1 1 79 79 ASP HB3 H 1 2.574 0 . 2 . . . . 79 ASP HB3 . 25825 1 1008 . 1 1 79 79 ASP C C 13 175.013 0 . 1 . . . . 79 ASP C . 25825 1 1009 . 1 1 79 79 ASP CA C 13 52.087 0 . 1 . . . . 79 ASP CA . 25825 1 1010 . 1 1 79 79 ASP CB C 13 41.205 0 . 1 . . . . 79 ASP CB . 25825 1 1011 . 1 1 79 79 ASP N N 15 124.382 0 . 1 . . . . 79 ASP N . 25825 1 1012 . 1 1 80 80 PRO HA H 1 4.423 0 . 1 . . . . 80 PRO HA . 25825 1 1013 . 1 1 80 80 PRO HB2 H 1 2.3 0 . 2 . . . . 80 PRO HB2 . 25825 1 1014 . 1 1 80 80 PRO HB3 H 1 1.966 0 . 2 . . . . 80 PRO HB3 . 25825 1 1015 . 1 1 80 80 PRO HG2 H 1 2.015 0 . 2 . . . . 80 PRO QG . 25825 1 1016 . 1 1 80 80 PRO HG3 H 1 2.015 0 . 2 . . . . 80 PRO QG . 25825 1 1017 . 1 1 80 80 PRO HD2 H 1 3.889 0 . 2 . . . . 80 PRO HD2 . 25825 1 1018 . 1 1 80 80 PRO HD3 H 1 3.835 0 . 2 . . . . 80 PRO HD3 . 25825 1 1019 . 1 1 80 80 PRO C C 13 177.067 0 . 1 . . . . 80 PRO C . 25825 1 1020 . 1 1 80 80 PRO CA C 13 63.802 0 . 1 . . . . 80 PRO CA . 25825 1 1021 . 1 1 80 80 PRO CB C 13 32.021 0 . 1 . . . . 80 PRO CB . 25825 1 1022 . 1 1 80 80 PRO CG C 13 26.959 0 . 1 . . . . 80 PRO CG . 25825 1 1023 . 1 1 80 80 PRO CD C 13 50.583 0 . 1 . . . . 80 PRO CD . 25825 1 1024 . 1 1 81 81 ASN H H 1 8.52 0 . 1 . . . . 81 ASN HN . 25825 1 1025 . 1 1 81 81 ASN HA H 1 4.736 0 . 1 . . . . 81 ASN HA . 25825 1 1026 . 1 1 81 81 ASN HB2 H 1 2.863 0 . 2 . . . . 81 ASN HB2 . 25825 1 1027 . 1 1 81 81 ASN HB3 H 1 2.789 0 . 2 . . . . 81 ASN HB3 . 25825 1 1028 . 1 1 81 81 ASN HD21 H 1 6.95 0 . 2 . . . . 81 ASN HD21 . 25825 1 1029 . 1 1 81 81 ASN HD22 H 1 7.756 0 . 2 . . . . 81 ASN HD22 . 25825 1 1030 . 1 1 81 81 ASN C C 13 175.519 0 . 1 . . . . 81 ASN C . 25825 1 1031 . 1 1 81 81 ASN CA C 13 53.396 0 . 1 . . . . 81 ASN CA . 25825 1 1032 . 1 1 81 81 ASN CB C 13 38.771 0 . 1 . . . . 81 ASN CB . 25825 1 1033 . 1 1 81 81 ASN N N 15 117.478 0 . 1 . . . . 81 ASN N . 25825 1 1034 . 1 1 81 81 ASN ND2 N 15 113.877 0 . 1 . . . . 81 ASN ND2 . 25825 1 1035 . 1 1 82 82 SER H H 1 8.023 0 . 1 . . . . 82 SER HN . 25825 1 1036 . 1 1 82 82 SER HA H 1 4.402 0 . 1 . . . . 82 SER HA . 25825 1 1037 . 1 1 82 82 SER HB2 H 1 3.875 0 . 2 . . . . 82 SER QB . 25825 1 1038 . 1 1 82 82 SER HB3 H 1 3.875 0 . 2 . . . . 82 SER QB . 25825 1 1039 . 1 1 82 82 SER C C 13 174.653 0 . 1 . . . . 82 SER C . 25825 1 1040 . 1 1 82 82 SER CA C 13 58.739 0 . 1 . . . . 82 SER CA . 25825 1 1041 . 1 1 82 82 SER CB C 13 63.802 0 . 1 . . . . 82 SER CB . 25825 1 1042 . 1 1 82 82 SER N N 15 115.818 0 . 1 . . . . 82 SER N . 25825 1 1043 . 1 1 83 83 SER H H 1 8.331 0 . 1 . . . . 83 SER HN . 25825 1 1044 . 1 1 83 83 SER HA H 1 4.491 0 . 1 . . . . 83 SER HA . 25825 1 1045 . 1 1 83 83 SER HB2 H 1 3.894 0 . 2 . . . . 83 SER QB . 25825 1 1046 . 1 1 83 83 SER HB3 H 1 3.894 0 . 2 . . . . 83 SER QB . 25825 1 1047 . 1 1 83 83 SER C C 13 174.662 0 . 1 . . . . 83 SER C . 25825 1 1048 . 1 1 83 83 SER CA C 13 58.458 0 . 1 . . . . 83 SER CA . 25825 1 1049 . 1 1 83 83 SER CB C 13 63.802 0 . 1 . . . . 83 SER CB . 25825 1 1050 . 1 1 83 83 SER N N 15 117.494 0 . 1 . . . . 83 SER N . 25825 1 1051 . 1 1 84 84 SER H H 1 8.283 0 . 1 . . . . 84 SER HN . 25825 1 1052 . 1 1 84 84 SER C C 13 174.886 0 . 1 . . . . 84 SER C . 25825 1 1053 . 1 1 84 84 SER CA C 13 58.461 0 . 1 . . . . 84 SER CA . 25825 1 1054 . 1 1 84 84 SER CB C 13 63.523 0 . 1 . . . . 84 SER CB . 25825 1 1055 . 1 1 84 84 SER N N 15 117.712 0 . 1 . . . . 84 SER N . 25825 1 1056 . 1 1 85 85 VAL H H 1 8.034 0 . 1 . . . . 85 VAL HN . 25825 1 1057 . 1 1 85 85 VAL HA H 1 4.062 0 . 1 . . . . 85 VAL HA . 25825 1 1058 . 1 1 85 85 VAL HB H 1 2.098 0 . 1 . . . . 85 VAL HB . 25825 1 1059 . 1 1 85 85 VAL HG11 H 1 0.931 0 . 2 . . . . 85 VAL QG1 . 25825 1 1060 . 1 1 85 85 VAL HG12 H 1 0.931 0 . 2 . . . . 85 VAL QG1 . 25825 1 1061 . 1 1 85 85 VAL HG13 H 1 0.931 0 . 2 . . . . 85 VAL QG1 . 25825 1 1062 . 1 1 85 85 VAL HG21 H 1 0.938 0 . 2 . . . . 85 VAL QG2 . 25825 1 1063 . 1 1 85 85 VAL HG22 H 1 0.938 0 . 2 . . . . 85 VAL QG2 . 25825 1 1064 . 1 1 85 85 VAL HG23 H 1 0.938 0 . 2 . . . . 85 VAL QG2 . 25825 1 1065 . 1 1 85 85 VAL C C 13 176.142 0 . 1 . . . . 85 VAL C . 25825 1 1066 . 1 1 85 85 VAL CA C 13 62.889 0 . 1 . . . . 85 VAL CA . 25825 1 1067 . 1 1 85 85 VAL CB C 13 32.518 0 . 1 . . . . 85 VAL CB . 25825 1 1068 . 1 1 85 85 VAL CG1 C 13 20.885 0 . 2 . . . . 85 VAL CG1 . 25825 1 1069 . 1 1 85 85 VAL CG2 C 13 20.483 0 . 2 . . . . 85 VAL CG2 . 25825 1 1070 . 1 1 85 85 VAL N N 15 121.117 0 . 1 . . . . 85 VAL N . 25825 1 1071 . 1 1 86 86 ASP H H 1 8.269 0 . 1 . . . . 86 ASP HN . 25825 1 1072 . 1 1 86 86 ASP HA H 1 4.565 0 . 1 . . . . 86 ASP HA . 25825 1 1073 . 1 1 86 86 ASP HB2 H 1 2.713 0 . 2 . . . . 86 ASP HB2 . 25825 1 1074 . 1 1 86 86 ASP HB3 H 1 2.612 0 . 2 . . . . 86 ASP HB3 . 25825 1 1075 . 1 1 86 86 ASP C C 13 176.766 0 . 1 . . . . 86 ASP C . 25825 1 1076 . 1 1 86 86 ASP CA C 13 54.546 0 . 1 . . . . 86 ASP CA . 25825 1 1077 . 1 1 86 86 ASP CB C 13 40.752 0 . 1 . . . . 86 ASP CB . 25825 1 1078 . 1 1 86 86 ASP N N 15 123.029 0 . 1 . . . . 86 ASP N . 25825 1 1079 . 1 1 87 87 LYS H H 1 8.172 0 . 1 . . . . 87 LYS HN . 25825 1 1080 . 1 1 87 87 LYS HA H 1 4.196 0 . 1 . . . . 87 LYS HA . 25825 1 1081 . 1 1 87 87 LYS HB2 H 1 1.858 0 . 2 . . . . 87 LYS HB2 . 25825 1 1082 . 1 1 87 87 LYS HB3 H 1 1.773 0 . 2 . . . . 87 LYS HB3 . 25825 1 1083 . 1 1 87 87 LYS HG2 H 1 1.476 0 . 2 . . . . 87 LYS HG2 . 25825 1 1084 . 1 1 87 87 LYS HG3 H 1 1.417 0 . 2 . . . . 87 LYS HG3 . 25825 1 1085 . 1 1 87 87 LYS HD2 H 1 1.664 0 . 2 . . . . 87 LYS QD . 25825 1 1086 . 1 1 87 87 LYS HD3 H 1 1.664 0 . 2 . . . . 87 LYS QD . 25825 1 1087 . 1 1 87 87 LYS HE2 H 1 2.986 0 . 2 . . . . 87 LYS QE . 25825 1 1088 . 1 1 87 87 LYS HE3 H 1 2.986 0 . 2 . . . . 87 LYS QE . 25825 1 1089 . 1 1 87 87 LYS C C 13 177.35 0 . 1 . . . . 87 LYS C . 25825 1 1090 . 1 1 87 87 LYS CA C 13 57.052 0 . 1 . . . . 87 LYS CA . 25825 1 1091 . 1 1 87 87 LYS CB C 13 32.583 0 . 1 . . . . 87 LYS CB . 25825 1 1092 . 1 1 87 87 LYS CG C 13 24.709 0 . 1 . . . . 87 LYS CG . 25825 1 1093 . 1 1 87 87 LYS CD C 13 28.927 0 . 1 . . . . 87 LYS CD . 25825 1 1094 . 1 1 87 87 LYS CE C 13 41.865 0 . 1 . . . . 87 LYS CE . 25825 1 1095 . 1 1 87 87 LYS N N 15 121.906 0 . 1 . . . . 87 LYS N . 25825 1 1096 . 1 1 88 88 LEU H H 1 8.101 0 . 1 . . . . 88 LEU HN . 25825 1 1097 . 1 1 88 88 LEU HA H 1 4.261 0 . 1 . . . . 88 LEU HA . 25825 1 1098 . 1 1 88 88 LEU HB2 H 1 1.713 0 . 2 . . . . 88 LEU HB2 . 25825 1 1099 . 1 1 88 88 LEU HB3 H 1 1.592 0 . 2 . . . . 88 LEU HB3 . 25825 1 1100 . 1 1 88 88 LEU HG H 1 1.62 0 . 1 . . . . 88 LEU HG . 25825 1 1101 . 1 1 88 88 LEU HD11 H 1 0.909 0 . 2 . . . . 88 LEU QD1 . 25825 1 1102 . 1 1 88 88 LEU HD12 H 1 0.909 0 . 2 . . . . 88 LEU QD1 . 25825 1 1103 . 1 1 88 88 LEU HD13 H 1 0.909 0 . 2 . . . . 88 LEU QD1 . 25825 1 1104 . 1 1 88 88 LEU HD21 H 1 0.851 0 . 2 . . . . 88 LEU QD2 . 25825 1 1105 . 1 1 88 88 LEU HD22 H 1 0.851 0 . 2 . . . . 88 LEU QD2 . 25825 1 1106 . 1 1 88 88 LEU HD23 H 1 0.851 0 . 2 . . . . 88 LEU QD2 . 25825 1 1107 . 1 1 88 88 LEU C C 13 177.798 0 . 1 . . . . 88 LEU C . 25825 1 1108 . 1 1 88 88 LEU CA C 13 55.646 0 . 1 . . . . 88 LEU CA . 25825 1 1109 . 1 1 88 88 LEU CB C 13 41.583 0 . 1 . . . . 88 LEU CB . 25825 1 1110 . 1 1 88 88 LEU CG C 13 26.959 0 . 1 . . . . 88 LEU CG . 25825 1 1111 . 1 1 88 88 LEU CD1 C 13 24.709 0 . 2 . . . . 88 LEU CD1 . 25825 1 1112 . 1 1 88 88 LEU CD2 C 13 23.302 0 . 2 . . . . 88 LEU CD2 . 25825 1 1113 . 1 1 88 88 LEU N N 15 121.846 0 . 1 . . . . 88 LEU N . 25825 1 1114 . 1 1 89 89 ALA H H 1 8.001 0 . 1 . . . . 89 ALA HN . 25825 1 1115 . 1 1 89 89 ALA HA H 1 4.189 0 . 1 . . . . 89 ALA HA . 25825 1 1116 . 1 1 89 89 ALA HB1 H 1 1.395 0 . 1 . . . . 89 ALA HB# . 25825 1 1117 . 1 1 89 89 ALA HB2 H 1 1.395 0 . 1 . . . . 89 ALA HB# . 25825 1 1118 . 1 1 89 89 ALA HB3 H 1 1.395 0 . 1 . . . . 89 ALA HB# . 25825 1 1119 . 1 1 89 89 ALA C C 13 178.382 0 . 1 . . . . 89 ALA C . 25825 1 1120 . 1 1 89 89 ALA CA C 13 53.389 0 . 1 . . . . 89 ALA CA . 25825 1 1121 . 1 1 89 89 ALA CB C 13 18.521 0 . 1 . . . . 89 ALA CB . 25825 1 1122 . 1 1 89 89 ALA N N 15 123.573 0 . 1 . . . . 89 ALA N . 25825 1 1123 . 1 1 90 90 ALA H H 1 8.023 0 . 1 . . . . 90 ALA HN . 25825 1 1124 . 1 1 90 90 ALA HA H 1 4.232 0 . 1 . . . . 90 ALA HA . 25825 1 1125 . 1 1 90 90 ALA HB1 H 1 1.395 0 . 1 . . . . 90 ALA HB# . 25825 1 1126 . 1 1 90 90 ALA HB2 H 1 1.395 0 . 1 . . . . 90 ALA HB# . 25825 1 1127 . 1 1 90 90 ALA HB3 H 1 1.395 0 . 1 . . . . 90 ALA HB# . 25825 1 1128 . 1 1 90 90 ALA C C 13 178.119 0 . 1 . . . . 90 ALA C . 25825 1 1129 . 1 1 90 90 ALA CA C 13 52.833 0 . 1 . . . . 90 ALA CA . 25825 1 1130 . 1 1 90 90 ALA CB C 13 19.084 0 . 1 . . . . 90 ALA CB . 25825 1 1131 . 1 1 90 90 ALA N N 15 121.852 0 . 1 . . . . 90 ALA N . 25825 1 1132 . 1 1 91 91 ALA H H 1 7.95 0 . 1 . . . . 91 ALA HN . 25825 1 1133 . 1 1 91 91 ALA HA H 1 4.232 0 . 1 . . . . 91 ALA HA . 25825 1 1134 . 1 1 91 91 ALA HB1 H 1 1.394 0 . 1 . . . . 91 ALA HB# . 25825 1 1135 . 1 1 91 91 ALA HB2 H 1 1.394 0 . 1 . . . . 91 ALA HB# . 25825 1 1136 . 1 1 91 91 ALA HB3 H 1 1.394 0 . 1 . . . . 91 ALA HB# . 25825 1 1137 . 1 1 91 91 ALA C C 13 178.1 0 . 1 . . . . 91 ALA C . 25825 1 1138 . 1 1 91 91 ALA CA C 13 52.552 0 . 1 . . . . 91 ALA CA . 25825 1 1139 . 1 1 91 91 ALA CB C 13 18.802 0 . 1 . . . . 91 ALA CB . 25825 1 1140 . 1 1 91 91 ALA N N 15 121.781 0 . 1 . . . . 91 ALA N . 25825 1 1141 . 1 1 92 92 LEU H H 1 7.928 0 . 1 . . . . 92 LEU HN . 25825 1 1142 . 1 1 92 92 LEU HA H 1 4.24 0 . 1 . . . . 92 LEU HA . 25825 1 1143 . 1 1 92 92 LEU HB2 H 1 1.644 0 . 2 . . . . 92 LEU HB2 . 25825 1 1144 . 1 1 92 92 LEU HB3 H 1 1.519 0 . 2 . . . . 92 LEU HB3 . 25825 1 1145 . 1 1 92 92 LEU HG H 1 1.641 0 . 1 . . . . 92 LEU HG . 25825 1 1146 . 1 1 92 92 LEU HD11 H 1 0.889 0 . 2 . . . . 92 LEU QD1 . 25825 1 1147 . 1 1 92 92 LEU HD12 H 1 0.889 0 . 2 . . . . 92 LEU QD1 . 25825 1 1148 . 1 1 92 92 LEU HD13 H 1 0.889 0 . 2 . . . . 92 LEU QD1 . 25825 1 1149 . 1 1 92 92 LEU HD21 H 1 0.835 0 . 2 . . . . 92 LEU QD2 . 25825 1 1150 . 1 1 92 92 LEU HD22 H 1 0.835 0 . 2 . . . . 92 LEU QD2 . 25825 1 1151 . 1 1 92 92 LEU HD23 H 1 0.835 0 . 2 . . . . 92 LEU QD2 . 25825 1 1152 . 1 1 92 92 LEU C C 13 177.584 0 . 1 . . . . 92 LEU C . 25825 1 1153 . 1 1 92 92 LEU CA C 13 55.109 0 . 1 . . . . 92 LEU CA . 25825 1 1154 . 1 1 92 92 LEU CB C 13 42.159 0 . 1 . . . . 92 LEU CB . 25825 1 1155 . 1 1 92 92 LEU CG C 13 26.676 0 . 1 . . . . 92 LEU CG . 25825 1 1156 . 1 1 92 92 LEU CD1 C 13 24.987 0 . 2 . . . . 92 LEU CD1 . 25825 1 1157 . 1 1 92 92 LEU CD2 C 13 23.298 0 . 2 . . . . 92 LEU CD2 . 25825 1 1158 . 1 1 92 92 LEU N N 15 120.154 0 . 1 . . . . 92 LEU N . 25825 1 1159 . 1 1 93 93 GLU H H 1 8.061 0 . 1 . . . . 93 GLU HN . 25825 1 1160 . 1 1 93 93 GLU HA H 1 4.16 0 . 1 . . . . 93 GLU HA . 25825 1 1161 . 1 1 93 93 GLU HB2 H 1 1.897 0 . 2 . . . . 93 GLU QB . 25825 1 1162 . 1 1 93 93 GLU HB3 H 1 1.897 0 . 2 . . . . 93 GLU QB . 25825 1 1163 . 1 1 93 93 GLU HG2 H 1 2.205 0 . 2 . . . . 93 GLU HG2 . 25825 1 1164 . 1 1 93 93 GLU HG3 H 1 2.121 0 . 2 . . . . 93 GLU HG3 . 25825 1 1165 . 1 1 93 93 GLU C C 13 176.308 0 . 1 . . . . 93 GLU C . 25825 1 1166 . 1 1 93 93 GLU CA C 13 56.771 0 . 1 . . . . 93 GLU CA . 25825 1 1167 . 1 1 93 93 GLU CB C 13 30.052 0 . 1 . . . . 93 GLU CB . 25825 1 1168 . 1 1 93 93 GLU CG C 13 35.958 0 . 1 . . . . 93 GLU CG . 25825 1 1169 . 1 1 93 93 GLU N N 15 120.382 0 . 1 . . . . 93 GLU N . 25825 1 1170 . 1 1 94 94 HIS H H 1 8.18 0 . 1 . . . . 94 HIS HN . 25825 1 1171 . 1 1 94 94 HIS HA H 1 4.565 0 . 1 . . . . 94 HIS HA . 25825 1 1172 . 1 1 94 94 HIS HB2 H 1 3.057 0 . 2 . . . . 94 HIS HB2 . 25825 1 1173 . 1 1 94 94 HIS HB3 H 1 2.98 0 . 2 . . . . 94 HIS HB3 . 25825 1 1174 . 1 1 94 94 HIS C C 13 174.955 0 . 1 . . . . 94 HIS C . 25825 1 1175 . 1 1 94 94 HIS CA C 13 55.927 0 . 1 . . . . 94 HIS CA . 25825 1 1176 . 1 1 94 94 HIS CB C 13 30.333 0 . 1 . . . . 94 HIS CB . 25825 1 1177 . 1 1 94 94 HIS N N 15 119.338 0 . 1 . . . . 94 HIS N . 25825 1 stop_ save_