data_25069 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25069 _Entry.Title ; Solution structure of human Ca2+-loaded S100A4 cys-free mutant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-07-03 _Entry.Accession_date 2014-07-03 _Entry.Last_release_date 2015-07-13 _Entry.Original_release_date 2015-07-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ching-Chang Cho . . . 25069 2 Kuo-Wei Hung . . . 25069 3 Chin Yu . . . 25069 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25069 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID S100A4 . 25069 calcium-binding . 25069 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25069 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 400 25069 '15N chemical shifts' 103 25069 '1H chemical shifts' 634 25069 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 . . 2015-07-13 . original BMRB . 25069 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MRD 'BMRB Entry Tracking System' 25069 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25069 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25855140 _Citation.Full_citation . _Citation.Title ; The solution structure of human calcium-bound S100A4 mutated at four cysteine loci ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 62 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 233 _Citation.Page_last 238 _Citation.Year 2015 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ching-Chang Cho . . . 25069 1 2 Kuo-Wei Hung . . . 25069 1 3 Dhilli Gorja . R. . 25069 1 4 Chin Yu . . . 25069 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25069 _Assembly.ID 1 _Assembly.Name 'human Ca2+-loaded S100A4 cys-free mutant' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 S100A4_1 1 $S100A4 A . yes native no no . . . 25069 1 2 S100A4_2 1 $S100A4 B . yes native no no . . . 25069 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_S100A4 _Entity.Sf_category entity _Entity.Sf_framecode S100A4 _Entity.Entry_ID 25069 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name S100A4 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MASPLEKALDVMVSTFHKYS GKEGDKFKLNKSELKELLTR ELPSFLGKRTDEAAFQKLMS NLDSNRDNEVDFQEYSVFLS SIAMMSNEFFEGFPDKQPRK K ; _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 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11681.374 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MRD . "Solution Structure Of Human Ca2+-loaded S100a4 Cys-free Mutant" . . . . . 100.00 101 100.00 100.00 6.38e-65 . . . . 25069 1 2 no PDB 3ZWH . "Ca2+-bound S100a4 C3s, C81s, C86s And F45w Mutant Complexed With Myosin Iia" . . . . . 100.00 104 98.02 99.01 4.28e-64 . . . . 25069 1 3 no PDB 4CFQ . "Ca-bound Truncated (delta13c) And C3s, C81s And C86s Mutated S100a4 Complexed With Non-muscle Myosin Iia" . . . . . 87.13 91 98.86 98.86 6.85e-54 . . . . 25069 1 4 no PDB 4CFR . "Ca-bound S100a4 C3s, C81s, C86s And F45w Mutant Complexed With Non-muscle Myosin Iia" . . . . . 100.00 104 98.02 99.01 4.28e-64 . . . . 25069 1 5 no REF XP_003892716 . "PREDICTED: protein S100-A4 [Papio anubis]" . . . . . 100.00 101 97.03 97.03 1.17e-63 . . . . 25069 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 25069 1 2 . ALA . 25069 1 3 . SER . 25069 1 4 . PRO . 25069 1 5 . LEU . 25069 1 6 . GLU . 25069 1 7 . LYS . 25069 1 8 . ALA . 25069 1 9 . LEU . 25069 1 10 . ASP . 25069 1 11 . VAL . 25069 1 12 . MET . 25069 1 13 . VAL . 25069 1 14 . SER . 25069 1 15 . THR . 25069 1 16 . PHE . 25069 1 17 . HIS . 25069 1 18 . LYS . 25069 1 19 . TYR . 25069 1 20 . SER . 25069 1 21 . GLY . 25069 1 22 . LYS . 25069 1 23 . GLU . 25069 1 24 . GLY . 25069 1 25 . ASP . 25069 1 26 . LYS . 25069 1 27 . PHE . 25069 1 28 . LYS . 25069 1 29 . LEU . 25069 1 30 . ASN . 25069 1 31 . LYS . 25069 1 32 . SER . 25069 1 33 . GLU . 25069 1 34 . LEU . 25069 1 35 . LYS . 25069 1 36 . GLU . 25069 1 37 . LEU . 25069 1 38 . LEU . 25069 1 39 . THR . 25069 1 40 . ARG . 25069 1 41 . GLU . 25069 1 42 . LEU . 25069 1 43 . PRO . 25069 1 44 . SER . 25069 1 45 . PHE . 25069 1 46 . LEU . 25069 1 47 . GLY . 25069 1 48 . LYS . 25069 1 49 . ARG . 25069 1 50 . THR . 25069 1 51 . ASP . 25069 1 52 . GLU . 25069 1 53 . ALA . 25069 1 54 . ALA . 25069 1 55 . PHE . 25069 1 56 . GLN . 25069 1 57 . LYS . 25069 1 58 . LEU . 25069 1 59 . MET . 25069 1 60 . SER . 25069 1 61 . ASN . 25069 1 62 . LEU . 25069 1 63 . ASP . 25069 1 64 . SER . 25069 1 65 . ASN . 25069 1 66 . ARG . 25069 1 67 . ASP . 25069 1 68 . ASN . 25069 1 69 . GLU . 25069 1 70 . VAL . 25069 1 71 . ASP . 25069 1 72 . PHE . 25069 1 73 . GLN . 25069 1 74 . GLU . 25069 1 75 . TYR . 25069 1 76 . SER . 25069 1 77 . VAL . 25069 1 78 . PHE . 25069 1 79 . LEU . 25069 1 80 . SER . 25069 1 81 . SER . 25069 1 82 . ILE . 25069 1 83 . ALA . 25069 1 84 . MET . 25069 1 85 . MET . 25069 1 86 . SER . 25069 1 87 . ASN . 25069 1 88 . GLU . 25069 1 89 . PHE . 25069 1 90 . PHE . 25069 1 91 . GLU . 25069 1 92 . GLY . 25069 1 93 . PHE . 25069 1 94 . PRO . 25069 1 95 . ASP . 25069 1 96 . LYS . 25069 1 97 . GLN . 25069 1 98 . PRO . 25069 1 99 . ARG . 25069 1 100 . LYS . 25069 1 101 . LYS . 25069 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 25069 1 . ALA 2 2 25069 1 . SER 3 3 25069 1 . PRO 4 4 25069 1 . LEU 5 5 25069 1 . GLU 6 6 25069 1 . LYS 7 7 25069 1 . ALA 8 8 25069 1 . LEU 9 9 25069 1 . ASP 10 10 25069 1 . VAL 11 11 25069 1 . MET 12 12 25069 1 . VAL 13 13 25069 1 . SER 14 14 25069 1 . THR 15 15 25069 1 . PHE 16 16 25069 1 . HIS 17 17 25069 1 . LYS 18 18 25069 1 . TYR 19 19 25069 1 . SER 20 20 25069 1 . GLY 21 21 25069 1 . LYS 22 22 25069 1 . GLU 23 23 25069 1 . GLY 24 24 25069 1 . ASP 25 25 25069 1 . LYS 26 26 25069 1 . PHE 27 27 25069 1 . LYS 28 28 25069 1 . LEU 29 29 25069 1 . ASN 30 30 25069 1 . LYS 31 31 25069 1 . SER 32 32 25069 1 . GLU 33 33 25069 1 . LEU 34 34 25069 1 . LYS 35 35 25069 1 . GLU 36 36 25069 1 . LEU 37 37 25069 1 . LEU 38 38 25069 1 . THR 39 39 25069 1 . ARG 40 40 25069 1 . GLU 41 41 25069 1 . LEU 42 42 25069 1 . PRO 43 43 25069 1 . SER 44 44 25069 1 . PHE 45 45 25069 1 . LEU 46 46 25069 1 . GLY 47 47 25069 1 . LYS 48 48 25069 1 . ARG 49 49 25069 1 . THR 50 50 25069 1 . ASP 51 51 25069 1 . GLU 52 52 25069 1 . ALA 53 53 25069 1 . ALA 54 54 25069 1 . PHE 55 55 25069 1 . GLN 56 56 25069 1 . LYS 57 57 25069 1 . LEU 58 58 25069 1 . MET 59 59 25069 1 . SER 60 60 25069 1 . ASN 61 61 25069 1 . LEU 62 62 25069 1 . ASP 63 63 25069 1 . SER 64 64 25069 1 . ASN 65 65 25069 1 . ARG 66 66 25069 1 . ASP 67 67 25069 1 . ASN 68 68 25069 1 . GLU 69 69 25069 1 . VAL 70 70 25069 1 . ASP 71 71 25069 1 . PHE 72 72 25069 1 . GLN 73 73 25069 1 . GLU 74 74 25069 1 . TYR 75 75 25069 1 . SER 76 76 25069 1 . VAL 77 77 25069 1 . PHE 78 78 25069 1 . LEU 79 79 25069 1 . SER 80 80 25069 1 . SER 81 81 25069 1 . ILE 82 82 25069 1 . ALA 83 83 25069 1 . MET 84 84 25069 1 . MET 85 85 25069 1 . SER 86 86 25069 1 . ASN 87 87 25069 1 . GLU 88 88 25069 1 . PHE 89 89 25069 1 . PHE 90 90 25069 1 . GLU 91 91 25069 1 . GLY 92 92 25069 1 . PHE 93 93 25069 1 . PRO 94 94 25069 1 . ASP 95 95 25069 1 . LYS 96 96 25069 1 . GLN 97 97 25069 1 . PRO 98 98 25069 1 . ARG 99 99 25069 1 . LYS 100 100 25069 1 . LYS 101 101 25069 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 25069 _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 $S100A4 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25069 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 25069 _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 $S100A4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET21a . . . 25069 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25069 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 S100A4 '[U-100% 13C; U-100% 15N]' . . 1 $S100A4 . . 1 . . mM . . . . 25069 1 2 TRIS 'natural abundance' . . . . . . 16 . . mM . . . . 25069 1 3 'sodium chloride' 'natural abundance' . . . . . . 8 . . mM . . . . 25069 1 4 'calcium chloride' 'natural abundance' . . . . . . 6 . . mM . . . . 25069 1 5 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 25069 1 6 'sodium azide' 'natural abundance' . . . . . . 0.34 . . mM . . . . 25069 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25069 _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' 0.02 . M 25069 1 pH 6 . pH 25069 1 pressure 1 . atm 25069 1 temperature 298 . K 25069 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 25069 _Software.ID 1 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 25069 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25069 1 'structure solution' 25069 1 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 25069 _Software.ID 2 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 25069 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25069 2 processing 25069 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25069 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25069 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25069 3 'data analysis' 25069 3 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 25069 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _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 25069 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian VNMRS . 700 . . . 25069 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 25069 _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 . . . . . . . . . . . . . . . . 25069 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25069 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25069 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25069 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25069 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25069 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25069 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25069 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25069 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25069 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25069 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25069 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25069 1 14 "3D 13C F1-filtered, F3-edited NOESY-HSQC'" no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25069 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 25069 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25069 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25069 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25069 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 25069 _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' . . . 25069 1 2 '3D HNCA' . . . 25069 1 3 '3D HN(CO)CA' . . . 25069 1 4 '3D HNCACB' . . . 25069 1 5 '3D CBCA(CO)NH' . . . 25069 1 6 '3D HN(CA)CO' . . . 25069 1 7 '3D HNCO' . . . 25069 1 8 '3D C(CO)NH' . . . 25069 1 9 '3D H(CCO)NH' . . . 25069 1 10 '3D HBHA(CO)NH' . . . 25069 1 11 '3D HCCH-TOCSY' . . . 25069 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 2 2 ALA HA H 1 4.209 . . . . . . A 2 ALA HA . 25069 1 2 . 1 1 2 2 ALA HB1 H 1 1.382 . . . . . . A 2 ALA HB1 . 25069 1 3 . 1 1 2 2 ALA HB2 H 1 1.382 . . . . . . A 2 ALA HB2 . 25069 1 4 . 1 1 2 2 ALA HB3 H 1 1.382 . . . . . . A 2 ALA HB3 . 25069 1 5 . 1 1 2 2 ALA C C 13 173.983 . . . . . . A 2 ALA C . 25069 1 6 . 1 1 2 2 ALA CA C 13 51.602 . . . . . . A 2 ALA CA . 25069 1 7 . 1 1 2 2 ALA CB C 13 19.876 . . . . . . A 2 ALA CB . 25069 1 8 . 1 1 3 3 SER H H 1 9.907 . . . . . . A 3 SER H . 25069 1 9 . 1 1 3 3 SER C C 13 172.689 . . . . . . A 3 SER C . 25069 1 10 . 1 1 3 3 SER CA C 13 56.943 . . . . . . A 3 SER CA . 25069 1 11 . 1 1 3 3 SER CB C 13 63.102 . . . . . . A 3 SER CB . 25069 1 12 . 1 1 3 3 SER N N 15 121.63 . . . . . . A 3 SER N . 25069 1 13 . 1 1 4 4 PRO C C 13 179.695 . . . . . . A 4 PRO C . 25069 1 14 . 1 1 4 4 PRO CA C 13 65.734 . . . . . . A 4 PRO CA . 25069 1 15 . 1 1 4 4 PRO CB C 13 31.78 . . . . . . A 4 PRO CB . 25069 1 16 . 1 1 5 5 LEU H H 1 8.277 . . . . . . A 5 LEU H . 25069 1 17 . 1 1 5 5 LEU HA H 1 4.031 . . . . . . A 5 LEU HA . 25069 1 18 . 1 1 5 5 LEU HB2 H 1 1.576 . . . . . . A 5 LEU HB2 . 25069 1 19 . 1 1 5 5 LEU HB3 H 1 1.869 . . . . . . A 5 LEU HB3 . 25069 1 20 . 1 1 5 5 LEU HG H 1 1.529 . . . . . . A 5 LEU HG . 25069 1 21 . 1 1 5 5 LEU HD11 H 1 0.888 . . . . . . A 5 LEU HD11 . 25069 1 22 . 1 1 5 5 LEU HD12 H 1 0.888 . . . . . . A 5 LEU HD12 . 25069 1 23 . 1 1 5 5 LEU HD13 H 1 0.888 . . . . . . A 5 LEU HD13 . 25069 1 24 . 1 1 5 5 LEU HD21 H 1 0.88 . . . . . . A 5 LEU HD21 . 25069 1 25 . 1 1 5 5 LEU HD22 H 1 0.88 . . . . . . A 5 LEU HD22 . 25069 1 26 . 1 1 5 5 LEU HD23 H 1 0.88 . . . . . . A 5 LEU HD23 . 25069 1 27 . 1 1 5 5 LEU C C 13 177.968 . . . . . . A 5 LEU C . 25069 1 28 . 1 1 5 5 LEU CA C 13 57.648 . . . . . . A 5 LEU CA . 25069 1 29 . 1 1 5 5 LEU CB C 13 42.635 . . . . . . A 5 LEU CB . 25069 1 30 . 1 1 5 5 LEU CG C 13 27.178 . . . . . . A 5 LEU CG . 25069 1 31 . 1 1 5 5 LEU CD1 C 13 23.248 . . . . . . A 5 LEU CD1 . 25069 1 32 . 1 1 5 5 LEU CD2 C 13 25.501 . . . . . . A 5 LEU CD2 . 25069 1 33 . 1 1 5 5 LEU N N 15 118.522 . . . . . . A 5 LEU N . 25069 1 34 . 1 1 6 6 GLU H H 1 8.13 . . . . . . A 6 GLU H . 25069 1 35 . 1 1 6 6 GLU HA H 1 3.696 . . . . . . A 6 GLU HA . 25069 1 36 . 1 1 6 6 GLU HB2 H 1 1.947 . . . . . . A 6 GLU HB2 . 25069 1 37 . 1 1 6 6 GLU HB3 H 1 2.33 . . . . . . A 6 GLU HB3 . 25069 1 38 . 1 1 6 6 GLU HG2 H 1 2.913 . . . . . . A 6 GLU HG2 . 25069 1 39 . 1 1 6 6 GLU HG3 H 1 2.913 . . . . . . A 6 GLU HG3 . 25069 1 40 . 1 1 6 6 GLU C C 13 180.177 . . . . . . A 6 GLU C . 25069 1 41 . 1 1 6 6 GLU CA C 13 60.339 . . . . . . A 6 GLU CA . 25069 1 42 . 1 1 6 6 GLU CB C 13 29.834 . . . . . . A 6 GLU CB . 25069 1 43 . 1 1 6 6 GLU CG C 13 39.278 . . . . . . A 6 GLU CG . 25069 1 44 . 1 1 6 6 GLU N N 15 118.997 . . . . . . A 6 GLU N . 25069 1 45 . 1 1 7 7 LYS H H 1 8.341 . . . . . . A 7 LYS H . 25069 1 46 . 1 1 7 7 LYS HA H 1 3.996 . . . . . . A 7 LYS HA . 25069 1 47 . 1 1 7 7 LYS HB2 H 1 1.795 . . . . . . A 7 LYS HB2 . 25069 1 48 . 1 1 7 7 LYS HB3 H 1 1.795 . . . . . . A 7 LYS HB3 . 25069 1 49 . 1 1 7 7 LYS HG2 H 1 1.297 . . . . . . A 7 LYS HG2 . 25069 1 50 . 1 1 7 7 LYS HG3 H 1 1.483 . . . . . . A 7 LYS HG3 . 25069 1 51 . 1 1 7 7 LYS HD2 H 1 1.52 . . . . . . A 7 LYS HD2 . 25069 1 52 . 1 1 7 7 LYS HD3 H 1 1.52 . . . . . . A 7 LYS HD3 . 25069 1 53 . 1 1 7 7 LYS HE2 H 1 2.838 . . . . . . A 7 LYS HE2 . 25069 1 54 . 1 1 7 7 LYS HE3 H 1 2.838 . . . . . . A 7 LYS HE3 . 25069 1 55 . 1 1 7 7 LYS C C 13 178.764 . . . . . . A 7 LYS C . 25069 1 56 . 1 1 7 7 LYS CA C 13 59.356 . . . . . . A 7 LYS CA . 25069 1 57 . 1 1 7 7 LYS CB C 13 32.159 . . . . . . A 7 LYS CB . 25069 1 58 . 1 1 7 7 LYS CG C 13 25.256 . . . . . . A 7 LYS CG . 25069 1 59 . 1 1 7 7 LYS CD C 13 29.121 . . . . . . A 7 LYS CD . 25069 1 60 . 1 1 7 7 LYS CE C 13 42.068 . . . . . . A 7 LYS CE . 25069 1 61 . 1 1 7 7 LYS N N 15 117.838 . . . . . . A 7 LYS N . 25069 1 62 . 1 1 8 8 ALA H H 1 8.082 . . . . . . A 8 ALA H . 25069 1 63 . 1 1 8 8 ALA HA H 1 3.979 . . . . . . A 8 ALA HA . 25069 1 64 . 1 1 8 8 ALA HB1 H 1 1.543 . . . . . . A 8 ALA HB1 . 25069 1 65 . 1 1 8 8 ALA HB2 H 1 1.543 . . . . . . A 8 ALA HB2 . 25069 1 66 . 1 1 8 8 ALA HB3 H 1 1.543 . . . . . . A 8 ALA HB3 . 25069 1 67 . 1 1 8 8 ALA C C 13 179.482 . . . . . . A 8 ALA C . 25069 1 68 . 1 1 8 8 ALA CA C 13 55.168 . . . . . . A 8 ALA CA . 25069 1 69 . 1 1 8 8 ALA CB C 13 18.294 . . . . . . A 8 ALA CB . 25069 1 70 . 1 1 8 8 ALA N N 15 122.327 . . . . . . A 8 ALA N . 25069 1 71 . 1 1 9 9 LEU H H 1 8.042 . . . . . . A 9 LEU H . 25069 1 72 . 1 1 9 9 LEU HA H 1 3.947 . . . . . . A 9 LEU HA . 25069 1 73 . 1 1 9 9 LEU HB2 H 1 1.255 . . . . . . A 9 LEU HB2 . 25069 1 74 . 1 1 9 9 LEU HB3 H 1 1.865 . . . . . . A 9 LEU HB3 . 25069 1 75 . 1 1 9 9 LEU HG H 1 1.239 . . . . . . A 9 LEU HG . 25069 1 76 . 1 1 9 9 LEU HD11 H 1 0.665 . . . . . . A 9 LEU HD11 . 25069 1 77 . 1 1 9 9 LEU HD12 H 1 0.665 . . . . . . A 9 LEU HD12 . 25069 1 78 . 1 1 9 9 LEU HD13 H 1 0.665 . . . . . . A 9 LEU HD13 . 25069 1 79 . 1 1 9 9 LEU HD21 H 1 0.627 . . . . . . A 9 LEU HD21 . 25069 1 80 . 1 1 9 9 LEU HD22 H 1 0.627 . . . . . . A 9 LEU HD22 . 25069 1 81 . 1 1 9 9 LEU HD23 H 1 0.627 . . . . . . A 9 LEU HD23 . 25069 1 82 . 1 1 9 9 LEU C C 13 178.844 . . . . . . A 9 LEU C . 25069 1 83 . 1 1 9 9 LEU CA C 13 58.209 . . . . . . A 9 LEU CA . 25069 1 84 . 1 1 9 9 LEU CB C 13 41.616 . . . . . . A 9 LEU CB . 25069 1 85 . 1 1 9 9 LEU CG C 13 27.106 . . . . . . A 9 LEU CG . 25069 1 86 . 1 1 9 9 LEU CD1 C 13 23.366 . . . . . . A 9 LEU CD1 . 25069 1 87 . 1 1 9 9 LEU CD2 C 13 25.917 . . . . . . A 9 LEU CD2 . 25069 1 88 . 1 1 9 9 LEU N N 15 118.212 . . . . . . A 9 LEU N . 25069 1 89 . 1 1 10 10 ASP H H 1 7.587 . . . . . . A 10 ASP H . 25069 1 90 . 1 1 10 10 ASP HA H 1 4.387 . . . . . . A 10 ASP HA . 25069 1 91 . 1 1 10 10 ASP HB2 H 1 2.738 . . . . . . A 10 ASP HB2 . 25069 1 92 . 1 1 10 10 ASP HB3 H 1 2.738 . . . . . . A 10 ASP HB3 . 25069 1 93 . 1 1 10 10 ASP C C 13 179.582 . . . . . . A 10 ASP C . 25069 1 94 . 1 1 10 10 ASP CA C 13 57.77 . . . . . . A 10 ASP CA . 25069 1 95 . 1 1 10 10 ASP CB C 13 40.994 . . . . . . A 10 ASP CB . 25069 1 96 . 1 1 10 10 ASP N N 15 117.997 . . . . . . A 10 ASP N . 25069 1 97 . 1 1 11 11 VAL H H 1 8.099 . . . . . . A 11 VAL H . 25069 1 98 . 1 1 11 11 VAL HA H 1 3.737 . . . . . . A 11 VAL HA . 25069 1 99 . 1 1 11 11 VAL HB H 1 2.16 . . . . . . A 11 VAL HB . 25069 1 100 . 1 1 11 11 VAL HG11 H 1 0.693 . . . . . . A 11 VAL HG11 . 25069 1 101 . 1 1 11 11 VAL HG12 H 1 0.693 . . . . . . A 11 VAL HG12 . 25069 1 102 . 1 1 11 11 VAL HG13 H 1 0.693 . . . . . . A 11 VAL HG13 . 25069 1 103 . 1 1 11 11 VAL HG21 H 1 1.043 . . . . . . A 11 VAL HG21 . 25069 1 104 . 1 1 11 11 VAL HG22 H 1 1.043 . . . . . . A 11 VAL HG22 . 25069 1 105 . 1 1 11 11 VAL HG23 H 1 1.043 . . . . . . A 11 VAL HG23 . 25069 1 106 . 1 1 11 11 VAL C C 13 180.061 . . . . . . A 11 VAL C . 25069 1 107 . 1 1 11 11 VAL CA C 13 66.144 . . . . . . A 11 VAL CA . 25069 1 108 . 1 1 11 11 VAL CB C 13 31.626 . . . . . . A 11 VAL CB . 25069 1 109 . 1 1 11 11 VAL CG1 C 13 21.31 . . . . . . A 11 VAL CG1 . 25069 1 110 . 1 1 11 11 VAL CG2 C 13 22.91 . . . . . . A 11 VAL CG2 . 25069 1 111 . 1 1 11 11 VAL N N 15 120.702 . . . . . . A 11 VAL N . 25069 1 112 . 1 1 12 12 MET H H 1 8.454 . . . . . . A 12 MET H . 25069 1 113 . 1 1 12 12 MET HA H 1 3.921 . . . . . . A 12 MET HA . 25069 1 114 . 1 1 12 12 MET HB2 H 1 2.164 . . . . . . A 12 MET HB2 . 25069 1 115 . 1 1 12 12 MET HB3 H 1 2.164 . . . . . . A 12 MET HB3 . 25069 1 116 . 1 1 12 12 MET C C 13 178.871 . . . . . . A 12 MET C . 25069 1 117 . 1 1 12 12 MET CA C 13 60.784 . . . . . . A 12 MET CA . 25069 1 118 . 1 1 12 12 MET CB C 13 32.579 . . . . . . A 12 MET CB . 25069 1 119 . 1 1 12 12 MET N N 15 123.185 . . . . . . A 12 MET N . 25069 1 120 . 1 1 13 13 VAL H H 1 8.117 . . . . . . A 13 VAL H . 25069 1 121 . 1 1 13 13 VAL HA H 1 3.925 . . . . . . A 13 VAL HA . 25069 1 122 . 1 1 13 13 VAL HB H 1 2.151 . . . . . . A 13 VAL HB . 25069 1 123 . 1 1 13 13 VAL HG11 H 1 0.68 . . . . . . A 13 VAL HG11 . 25069 1 124 . 1 1 13 13 VAL HG12 H 1 0.68 . . . . . . A 13 VAL HG12 . 25069 1 125 . 1 1 13 13 VAL HG13 H 1 0.68 . . . . . . A 13 VAL HG13 . 25069 1 126 . 1 1 13 13 VAL HG21 H 1 1.04 . . . . . . A 13 VAL HG21 . 25069 1 127 . 1 1 13 13 VAL HG22 H 1 1.04 . . . . . . A 13 VAL HG22 . 25069 1 128 . 1 1 13 13 VAL HG23 H 1 1.04 . . . . . . A 13 VAL HG23 . 25069 1 129 . 1 1 13 13 VAL C C 13 177.712 . . . . . . A 13 VAL C . 25069 1 130 . 1 1 13 13 VAL CA C 13 66.68 . . . . . . A 13 VAL CA . 25069 1 131 . 1 1 13 13 VAL CB C 13 33.247 . . . . . . A 13 VAL CB . 25069 1 132 . 1 1 13 13 VAL CG1 C 13 21.4 . . . . . . A 13 VAL CG1 . 25069 1 133 . 1 1 13 13 VAL CG2 C 13 22.916 . . . . . . A 13 VAL CG2 . 25069 1 134 . 1 1 13 13 VAL N N 15 118.9 . . . . . . A 13 VAL N . 25069 1 135 . 1 1 14 14 SER H H 1 8.935 . . . . . . A 14 SER H . 25069 1 136 . 1 1 14 14 SER HA H 1 3.966 . . . . . . A 14 SER HA . 25069 1 137 . 1 1 14 14 SER HB2 H 1 3.888 . . . . . . A 14 SER HB2 . 25069 1 138 . 1 1 14 14 SER HB3 H 1 3.888 . . . . . . A 14 SER HB3 . 25069 1 139 . 1 1 14 14 SER C C 13 178.306 . . . . . . A 14 SER C . 25069 1 140 . 1 1 14 14 SER CA C 13 61.937 . . . . . . A 14 SER CA . 25069 1 141 . 1 1 14 14 SER CB C 13 62.474 . . . . . . A 14 SER CB . 25069 1 142 . 1 1 14 14 SER N N 15 114.675 . . . . . . A 14 SER N . 25069 1 143 . 1 1 15 15 THR H H 1 8.543 . . . . . . A 15 THR H . 25069 1 144 . 1 1 15 15 THR HA H 1 4.19 . . . . . . A 15 THR HA . 25069 1 145 . 1 1 15 15 THR HB H 1 3.868 . . . . . . A 15 THR HB . 25069 1 146 . 1 1 15 15 THR C C 13 174.459 . . . . . . A 15 THR C . 25069 1 147 . 1 1 15 15 THR CA C 13 67.683 . . . . . . A 15 THR CA . 25069 1 148 . 1 1 15 15 THR CB C 13 68.187 . . . . . . A 15 THR CB . 25069 1 149 . 1 1 15 15 THR N N 15 117.582 . . . . . . A 15 THR N . 25069 1 150 . 1 1 16 16 PHE H H 1 6.809 . . . . . . A 16 PHE H . 25069 1 151 . 1 1 16 16 PHE HA H 1 3.369 . . . . . . A 16 PHE HA . 25069 1 152 . 1 1 16 16 PHE HB2 H 1 2.414 . . . . . . A 16 PHE HB2 . 25069 1 153 . 1 1 16 16 PHE HB3 H 1 2.99 . . . . . . A 16 PHE HB3 . 25069 1 154 . 1 1 16 16 PHE C C 13 176.48 . . . . . . A 16 PHE C . 25069 1 155 . 1 1 16 16 PHE CA C 13 62.481 . . . . . . A 16 PHE CA . 25069 1 156 . 1 1 16 16 PHE CB C 13 39.236 . . . . . . A 16 PHE CB . 25069 1 157 . 1 1 16 16 PHE N N 15 118.606 . . . . . . A 16 PHE N . 25069 1 158 . 1 1 17 17 HIS H H 1 6.955 . . . . . . A 17 HIS H . 25069 1 159 . 1 1 17 17 HIS HA H 1 4.726 . . . . . . A 17 HIS HA . 25069 1 160 . 1 1 17 17 HIS HB2 H 1 2.621 . . . . . . A 17 HIS HB2 . 25069 1 161 . 1 1 17 17 HIS HB3 H 1 3.052 . . . . . . A 17 HIS HB3 . 25069 1 162 . 1 1 17 17 HIS C C 13 177.124 . . . . . . A 17 HIS C . 25069 1 163 . 1 1 17 17 HIS CA C 13 57.727 . . . . . . A 17 HIS CA . 25069 1 164 . 1 1 17 17 HIS CB C 13 30.148 . . . . . . A 17 HIS CB . 25069 1 165 . 1 1 17 17 HIS N N 15 114.536 . . . . . . A 17 HIS N . 25069 1 166 . 1 1 18 18 LYS H H 1 7.82 . . . . . . A 18 LYS H . 25069 1 167 . 1 1 18 18 LYS HA H 1 3.718 . . . . . . A 18 LYS HA . 25069 1 168 . 1 1 18 18 LYS HB2 H 1 1.705 . . . . . . A 18 LYS HB2 . 25069 1 169 . 1 1 18 18 LYS HB3 H 1 1.705 . . . . . . A 18 LYS HB3 . 25069 1 170 . 1 1 18 18 LYS HG2 H 1 0.452 . . . . . . A 18 LYS HG2 . 25069 1 171 . 1 1 18 18 LYS HG3 H 1 1.065 . . . . . . A 18 LYS HG3 . 25069 1 172 . 1 1 18 18 LYS HD2 H 1 1.439 . . . . . . A 18 LYS HD2 . 25069 1 173 . 1 1 18 18 LYS HD3 H 1 1.439 . . . . . . A 18 LYS HD3 . 25069 1 174 . 1 1 18 18 LYS HE2 H 1 2.688 . . . . . . A 18 LYS HE2 . 25069 1 175 . 1 1 18 18 LYS HE3 H 1 2.688 . . . . . . A 18 LYS HE3 . 25069 1 176 . 1 1 18 18 LYS C C 13 177.006 . . . . . . A 18 LYS C . 25069 1 177 . 1 1 18 18 LYS CA C 13 58.868 . . . . . . A 18 LYS CA . 25069 1 178 . 1 1 18 18 LYS CB C 13 32.114 . . . . . . A 18 LYS CB . 25069 1 179 . 1 1 18 18 LYS CG C 13 24.431 . . . . . . A 18 LYS CG . 25069 1 180 . 1 1 18 18 LYS CD C 13 29.833 . . . . . . A 18 LYS CD . 25069 1 181 . 1 1 18 18 LYS CE C 13 42.102 . . . . . . A 18 LYS CE . 25069 1 182 . 1 1 18 18 LYS N N 15 120.739 . . . . . . A 18 LYS N . 25069 1 183 . 1 1 19 19 TYR H H 1 6.73 . . . . . . A 19 TYR H . 25069 1 184 . 1 1 19 19 TYR HA H 1 4.139 . . . . . . A 19 TYR HA . 25069 1 185 . 1 1 19 19 TYR HB2 H 1 2.238 . . . . . . A 19 TYR HB2 . 25069 1 186 . 1 1 19 19 TYR HB3 H 1 2.683 . . . . . . A 19 TYR HB3 . 25069 1 187 . 1 1 19 19 TYR C C 13 176.218 . . . . . . A 19 TYR C . 25069 1 188 . 1 1 19 19 TYR CA C 13 59.898 . . . . . . A 19 TYR CA . 25069 1 189 . 1 1 19 19 TYR CB C 13 40.457 . . . . . . A 19 TYR CB . 25069 1 190 . 1 1 19 19 TYR N N 15 112.545 . . . . . . A 19 TYR N . 25069 1 191 . 1 1 20 20 SER H H 1 8.493 . . . . . . A 20 SER H . 25069 1 192 . 1 1 20 20 SER HA H 1 3.385 . . . . . . A 20 SER HA . 25069 1 193 . 1 1 20 20 SER HB2 H 1 2.048 . . . . . . A 20 SER HB2 . 25069 1 194 . 1 1 20 20 SER HB3 H 1 2.907 . . . . . . A 20 SER HB3 . 25069 1 195 . 1 1 20 20 SER C C 13 176.961 . . . . . . A 20 SER C . 25069 1 196 . 1 1 20 20 SER CA C 13 61.866 . . . . . . A 20 SER CA . 25069 1 197 . 1 1 20 20 SER CB C 13 60.904 . . . . . . A 20 SER CB . 25069 1 198 . 1 1 20 20 SER N N 15 113.404 . . . . . . A 20 SER N . 25069 1 199 . 1 1 21 21 GLY H H 1 7.512 . . . . . . A 21 GLY H . 25069 1 200 . 1 1 21 21 GLY HA2 H 1 3.719 . . . . . . A 21 GLY HA2 . 25069 1 201 . 1 1 21 21 GLY HA3 H 1 3.908 . . . . . . A 21 GLY HA3 . 25069 1 202 . 1 1 21 21 GLY C C 13 173.502 . . . . . . A 21 GLY C . 25069 1 203 . 1 1 21 21 GLY CA C 13 45.539 . . . . . . A 21 GLY CA . 25069 1 204 . 1 1 21 21 GLY N N 15 109.001 . . . . . . A 21 GLY N . 25069 1 205 . 1 1 22 22 LYS H H 1 6.958 . . . . . . A 22 LYS H . 25069 1 206 . 1 1 22 22 LYS HA H 1 3.795 . . . . . . A 22 LYS HA . 25069 1 207 . 1 1 22 22 LYS HB2 H 1 1.867 . . . . . . A 22 LYS HB2 . 25069 1 208 . 1 1 22 22 LYS HB3 H 1 1.984 . . . . . . A 22 LYS HB3 . 25069 1 209 . 1 1 22 22 LYS HG2 H 1 1.242 . . . . . . A 22 LYS HG2 . 25069 1 210 . 1 1 22 22 LYS HG3 H 1 1.523 . . . . . . A 22 LYS HG3 . 25069 1 211 . 1 1 22 22 LYS HD2 H 1 1.664 . . . . . . A 22 LYS HD2 . 25069 1 212 . 1 1 22 22 LYS HD3 H 1 1.664 . . . . . . A 22 LYS HD3 . 25069 1 213 . 1 1 22 22 LYS HE2 H 1 2.834 . . . . . . A 22 LYS HE2 . 25069 1 214 . 1 1 22 22 LYS HE3 H 1 2.834 . . . . . . A 22 LYS HE3 . 25069 1 215 . 1 1 22 22 LYS C C 13 177.354 . . . . . . A 22 LYS C . 25069 1 216 . 1 1 22 22 LYS CA C 13 60.007 . . . . . . A 22 LYS CA . 25069 1 217 . 1 1 22 22 LYS CB C 13 32.983 . . . . . . A 22 LYS CB . 25069 1 218 . 1 1 22 22 LYS CG C 13 25.61 . . . . . . A 22 LYS CG . 25069 1 219 . 1 1 22 22 LYS CD C 13 29.075 . . . . . . A 22 LYS CD . 25069 1 220 . 1 1 22 22 LYS CE C 13 42.103 . . . . . . A 22 LYS CE . 25069 1 221 . 1 1 22 22 LYS N N 15 120.754 . . . . . . A 22 LYS N . 25069 1 222 . 1 1 23 23 GLU H H 1 9.425 . . . . . . A 23 GLU H . 25069 1 223 . 1 1 23 23 GLU HA H 1 4.458 . . . . . . A 23 GLU HA . 25069 1 224 . 1 1 23 23 GLU HB2 H 1 1.63 . . . . . . A 23 GLU HB2 . 25069 1 225 . 1 1 23 23 GLU HB3 H 1 1.775 . . . . . . A 23 GLU HB3 . 25069 1 226 . 1 1 23 23 GLU HG2 H 1 1.983 . . . . . . A 23 GLU HG2 . 25069 1 227 . 1 1 23 23 GLU HG3 H 1 1.983 . . . . . . A 23 GLU HG3 . 25069 1 228 . 1 1 23 23 GLU C C 13 176.733 . . . . . . A 23 GLU C . 25069 1 229 . 1 1 23 23 GLU CA C 13 54.435 . . . . . . A 23 GLU CA . 25069 1 230 . 1 1 23 23 GLU CB C 13 34.354 . . . . . . A 23 GLU CB . 25069 1 231 . 1 1 23 23 GLU CG C 13 35.802 . . . . . . A 23 GLU CG . 25069 1 232 . 1 1 23 23 GLU N N 15 115.305 . . . . . . A 23 GLU N . 25069 1 233 . 1 1 24 24 GLY H H 1 8.879 . . . . . . A 24 GLY H . 25069 1 234 . 1 1 24 24 GLY HA2 H 1 3.626 . . . . . . A 24 GLY HA2 . 25069 1 235 . 1 1 24 24 GLY HA3 H 1 3.626 . . . . . . A 24 GLY HA3 . 25069 1 236 . 1 1 24 24 GLY C C 13 173.486 . . . . . . A 24 GLY C . 25069 1 237 . 1 1 24 24 GLY CA C 13 46.342 . . . . . . A 24 GLY CA . 25069 1 238 . 1 1 24 24 GLY N N 15 112.542 . . . . . . A 24 GLY N . 25069 1 239 . 1 1 25 25 ASP H H 1 8.423 . . . . . . A 25 ASP H . 25069 1 240 . 1 1 25 25 ASP HA H 1 4.283 . . . . . . A 25 ASP HA . 25069 1 241 . 1 1 25 25 ASP HB2 H 1 2.487 . . . . . . A 25 ASP HB2 . 25069 1 242 . 1 1 25 25 ASP HB3 H 1 2.657 . . . . . . A 25 ASP HB3 . 25069 1 243 . 1 1 25 25 ASP C C 13 179.177 . . . . . . A 25 ASP C . 25069 1 244 . 1 1 25 25 ASP CA C 13 55.114 . . . . . . A 25 ASP CA . 25069 1 245 . 1 1 25 25 ASP CB C 13 41.736 . . . . . . A 25 ASP CB . 25069 1 246 . 1 1 25 25 ASP N N 15 125.117 . . . . . . A 25 ASP N . 25069 1 247 . 1 1 26 26 LYS H H 1 9.247 . . . . . . A 26 LYS H . 25069 1 248 . 1 1 26 26 LYS HA H 1 4.196 . . . . . . A 26 LYS HA . 25069 1 249 . 1 1 26 26 LYS HB2 H 1 1.228 . . . . . . A 26 LYS HB2 . 25069 1 250 . 1 1 26 26 LYS HB3 H 1 1.338 . . . . . . A 26 LYS HB3 . 25069 1 251 . 1 1 26 26 LYS HG2 H 1 1.07 . . . . . . A 26 LYS HG2 . 25069 1 252 . 1 1 26 26 LYS HG3 H 1 1.07 . . . . . . A 26 LYS HG3 . 25069 1 253 . 1 1 26 26 LYS HD2 H 1 1.418 . . . . . . A 26 LYS HD2 . 25069 1 254 . 1 1 26 26 LYS HD3 H 1 1.418 . . . . . . A 26 LYS HD3 . 25069 1 255 . 1 1 26 26 LYS HE2 H 1 2.78 . . . . . . A 26 LYS HE2 . 25069 1 256 . 1 1 26 26 LYS HE3 H 1 2.78 . . . . . . A 26 LYS HE3 . 25069 1 257 . 1 1 26 26 LYS C C 13 176.638 . . . . . . A 26 LYS C . 25069 1 258 . 1 1 26 26 LYS CA C 13 57.968 . . . . . . A 26 LYS CA . 25069 1 259 . 1 1 26 26 LYS CB C 13 31.223 . . . . . . A 26 LYS CB . 25069 1 260 . 1 1 26 26 LYS CG C 13 24.74 . . . . . . A 26 LYS CG . 25069 1 261 . 1 1 26 26 LYS CD C 13 29.136 . . . . . . A 26 LYS CD . 25069 1 262 . 1 1 26 26 LYS CE C 13 42.085 . . . . . . A 26 LYS CE . 25069 1 263 . 1 1 26 26 LYS N N 15 131.175 . . . . . . A 26 LYS N . 25069 1 264 . 1 1 27 27 PHE H H 1 9.335 . . . . . . A 27 PHE H . 25069 1 265 . 1 1 27 27 PHE HA H 1 4.699 . . . . . . A 27 PHE HA . 25069 1 266 . 1 1 27 27 PHE HB2 H 1 2.964 . . . . . . A 27 PHE HB2 . 25069 1 267 . 1 1 27 27 PHE HB3 H 1 3.598 . . . . . . A 27 PHE HB3 . 25069 1 268 . 1 1 27 27 PHE C C 13 173.452 . . . . . . A 27 PHE C . 25069 1 269 . 1 1 27 27 PHE CA C 13 56.032 . . . . . . A 27 PHE CA . 25069 1 270 . 1 1 27 27 PHE CB C 13 39.091 . . . . . . A 27 PHE CB . 25069 1 271 . 1 1 27 27 PHE N N 15 118.593 . . . . . . A 27 PHE N . 25069 1 272 . 1 1 28 28 LYS H H 1 6.985 . . . . . . A 28 LYS H . 25069 1 273 . 1 1 28 28 LYS HA H 1 5.004 . . . . . . A 28 LYS HA . 25069 1 274 . 1 1 28 28 LYS HB2 H 1 1.539 . . . . . . A 28 LYS HB2 . 25069 1 275 . 1 1 28 28 LYS HB3 H 1 1.539 . . . . . . A 28 LYS HB3 . 25069 1 276 . 1 1 28 28 LYS HG2 H 1 1.131 . . . . . . A 28 LYS HG2 . 25069 1 277 . 1 1 28 28 LYS HG3 H 1 1.345 . . . . . . A 28 LYS HG3 . 25069 1 278 . 1 1 28 28 LYS HD2 H 1 1.323 . . . . . . A 28 LYS HD2 . 25069 1 279 . 1 1 28 28 LYS HD3 H 1 1.491 . . . . . . A 28 LYS HD3 . 25069 1 280 . 1 1 28 28 LYS HE2 H 1 2.937 . . . . . . A 28 LYS HE2 . 25069 1 281 . 1 1 28 28 LYS HE3 H 1 2.937 . . . . . . A 28 LYS HE3 . 25069 1 282 . 1 1 28 28 LYS C C 13 174.468 . . . . . . A 28 LYS C . 25069 1 283 . 1 1 28 28 LYS CA C 13 55.287 . . . . . . A 28 LYS CA . 25069 1 284 . 1 1 28 28 LYS CB C 13 39.018 . . . . . . A 28 LYS CB . 25069 1 285 . 1 1 28 28 LYS CG C 13 26.062 . . . . . . A 28 LYS CG . 25069 1 286 . 1 1 28 28 LYS CD C 13 30.062 . . . . . . A 28 LYS CD . 25069 1 287 . 1 1 28 28 LYS CE C 13 35.865 . . . . . . A 28 LYS CE . 25069 1 288 . 1 1 28 28 LYS N N 15 113.854 . . . . . . A 28 LYS N . 25069 1 289 . 1 1 29 29 LEU H H 1 9.454 . . . . . . A 29 LEU H . 25069 1 290 . 1 1 29 29 LEU HA H 1 5.013 . . . . . . A 29 LEU HA . 25069 1 291 . 1 1 29 29 LEU HB2 H 1 1.028 . . . . . . A 29 LEU HB2 . 25069 1 292 . 1 1 29 29 LEU HB3 H 1 1.942 . . . . . . A 29 LEU HB3 . 25069 1 293 . 1 1 29 29 LEU HD11 H 1 0.107 . . . . . . A 29 LEU HD11 . 25069 1 294 . 1 1 29 29 LEU HD12 H 1 0.107 . . . . . . A 29 LEU HD12 . 25069 1 295 . 1 1 29 29 LEU HD13 H 1 0.107 . . . . . . A 29 LEU HD13 . 25069 1 296 . 1 1 29 29 LEU HD21 H 1 0.527 . . . . . . A 29 LEU HD21 . 25069 1 297 . 1 1 29 29 LEU HD22 H 1 0.527 . . . . . . A 29 LEU HD22 . 25069 1 298 . 1 1 29 29 LEU HD23 H 1 0.527 . . . . . . A 29 LEU HD23 . 25069 1 299 . 1 1 29 29 LEU C C 13 175.791 . . . . . . A 29 LEU C . 25069 1 300 . 1 1 29 29 LEU CA C 13 52.599 . . . . . . A 29 LEU CA . 25069 1 301 . 1 1 29 29 LEU CB C 13 43.557 . . . . . . A 29 LEU CB . 25069 1 302 . 1 1 29 29 LEU CD1 C 13 24.675 . . . . . . A 29 LEU CD1 . 25069 1 303 . 1 1 29 29 LEU CD2 C 13 27.593 . . . . . . A 29 LEU CD2 . 25069 1 304 . 1 1 29 29 LEU N N 15 124.858 . . . . . . A 29 LEU N . 25069 1 305 . 1 1 30 30 ASN H H 1 9.56 . . . . . . A 30 ASN H . 25069 1 306 . 1 1 30 30 ASN HA H 1 4.578 . . . . . . A 30 ASN HA . 25069 1 307 . 1 1 30 30 ASN HB2 H 1 2.888 . . . . . . A 30 ASN HB2 . 25069 1 308 . 1 1 30 30 ASN HB3 H 1 3.229 . . . . . . A 30 ASN HB3 . 25069 1 309 . 1 1 30 30 ASN HD21 H 1 7.297 . . . . . . A 30 ASN HD21 . 25069 1 310 . 1 1 30 30 ASN HD22 H 1 7.44 . . . . . . A 30 ASN HD22 . 25069 1 311 . 1 1 30 30 ASN C C 13 174.969 . . . . . . A 30 ASN C . 25069 1 312 . 1 1 30 30 ASN CA C 13 51.098 . . . . . . A 30 ASN CA . 25069 1 313 . 1 1 30 30 ASN CB C 13 37.358 . . . . . . A 30 ASN CB . 25069 1 314 . 1 1 30 30 ASN N N 15 122.896 . . . . . . A 30 ASN N . 25069 1 315 . 1 1 30 30 ASN ND2 N 15 108.946 . . . . . . A 30 ASN ND2 . 25069 1 316 . 1 1 31 31 LYS H H 1 8.204 . . . . . . A 31 LYS H . 25069 1 317 . 1 1 31 31 LYS HA H 1 3.87 . . . . . . A 31 LYS HA . 25069 1 318 . 1 1 31 31 LYS HB2 H 1 1.716 . . . . . . A 31 LYS HB2 . 25069 1 319 . 1 1 31 31 LYS HB3 H 1 1.716 . . . . . . A 31 LYS HB3 . 25069 1 320 . 1 1 31 31 LYS HG2 H 1 1.345 . . . . . . A 31 LYS HG2 . 25069 1 321 . 1 1 31 31 LYS HG3 H 1 1.445 . . . . . . A 31 LYS HG3 . 25069 1 322 . 1 1 31 31 LYS HD2 H 1 1.601 . . . . . . A 31 LYS HD2 . 25069 1 323 . 1 1 31 31 LYS HD3 H 1 1.601 . . . . . . A 31 LYS HD3 . 25069 1 324 . 1 1 31 31 LYS HE2 H 1 2.825 . . . . . . A 31 LYS HE2 . 25069 1 325 . 1 1 31 31 LYS HE3 H 1 2.825 . . . . . . A 31 LYS HE3 . 25069 1 326 . 1 1 31 31 LYS C C 13 177.992 . . . . . . A 31 LYS C . 25069 1 327 . 1 1 31 31 LYS CA C 13 61.035 . . . . . . A 31 LYS CA . 25069 1 328 . 1 1 31 31 LYS CB C 13 32.205 . . . . . . A 31 LYS CB . 25069 1 329 . 1 1 31 31 LYS CG C 13 24.88 . . . . . . A 31 LYS CG . 25069 1 330 . 1 1 31 31 LYS CD C 13 29.498 . . . . . . A 31 LYS CD . 25069 1 331 . 1 1 31 31 LYS CE C 13 41.968 . . . . . . A 31 LYS CE . 25069 1 332 . 1 1 31 31 LYS N N 15 115.136 . . . . . . A 31 LYS N . 25069 1 333 . 1 1 32 32 SER H H 1 7.575 . . . . . . A 32 SER H . 25069 1 334 . 1 1 32 32 SER HA H 1 3.939 . . . . . . A 32 SER HA . 25069 1 335 . 1 1 32 32 SER HB2 H 1 3.795 . . . . . . A 32 SER HB2 . 25069 1 336 . 1 1 32 32 SER HB3 H 1 3.795 . . . . . . A 32 SER HB3 . 25069 1 337 . 1 1 32 32 SER C C 13 177.484 . . . . . . A 32 SER C . 25069 1 338 . 1 1 32 32 SER CA C 13 61.374 . . . . . . A 32 SER CA . 25069 1 339 . 1 1 32 32 SER CB C 13 62.733 . . . . . . A 32 SER CB . 25069 1 340 . 1 1 32 32 SER N N 15 113.755 . . . . . . A 32 SER N . 25069 1 341 . 1 1 33 33 GLU H H 1 8.608 . . . . . . A 33 GLU H . 25069 1 342 . 1 1 33 33 GLU HA H 1 3.913 . . . . . . A 33 GLU HA . 25069 1 343 . 1 1 33 33 GLU HB2 H 1 1.708 . . . . . . A 33 GLU HB2 . 25069 1 344 . 1 1 33 33 GLU HB3 H 1 2.002 . . . . . . A 33 GLU HB3 . 25069 1 345 . 1 1 33 33 GLU HG2 H 1 2.293 . . . . . . A 33 GLU HG2 . 25069 1 346 . 1 1 33 33 GLU HG3 H 1 2.293 . . . . . . A 33 GLU HG3 . 25069 1 347 . 1 1 33 33 GLU C C 13 178.56 . . . . . . A 33 GLU C . 25069 1 348 . 1 1 33 33 GLU CA C 13 58.842 . . . . . . A 33 GLU CA . 25069 1 349 . 1 1 33 33 GLU CB C 13 31.199 . . . . . . A 33 GLU CB . 25069 1 350 . 1 1 33 33 GLU CG C 13 36.063 . . . . . . A 33 GLU CG . 25069 1 351 . 1 1 33 33 GLU N N 15 122.657 . . . . . . A 33 GLU N . 25069 1 352 . 1 1 34 34 LEU H H 1 8.859 . . . . . . A 34 LEU H . 25069 1 353 . 1 1 34 34 LEU HA H 1 3.805 . . . . . . A 34 LEU HA . 25069 1 354 . 1 1 34 34 LEU HB2 H 1 1.236 . . . . . . A 34 LEU HB2 . 25069 1 355 . 1 1 34 34 LEU HB3 H 1 1.916 . . . . . . A 34 LEU HB3 . 25069 1 356 . 1 1 34 34 LEU HD11 H 1 0.632 . . . . . . A 34 LEU HD11 . 25069 1 357 . 1 1 34 34 LEU HD12 H 1 0.632 . . . . . . A 34 LEU HD12 . 25069 1 358 . 1 1 34 34 LEU HD13 H 1 0.632 . . . . . . A 34 LEU HD13 . 25069 1 359 . 1 1 34 34 LEU HD21 H 1 0.684 . . . . . . A 34 LEU HD21 . 25069 1 360 . 1 1 34 34 LEU HD22 H 1 0.684 . . . . . . A 34 LEU HD22 . 25069 1 361 . 1 1 34 34 LEU HD23 H 1 0.684 . . . . . . A 34 LEU HD23 . 25069 1 362 . 1 1 34 34 LEU C C 13 177.693 . . . . . . A 34 LEU C . 25069 1 363 . 1 1 34 34 LEU CA C 13 57.776 . . . . . . A 34 LEU CA . 25069 1 364 . 1 1 34 34 LEU CB C 13 41.697 . . . . . . A 34 LEU CB . 25069 1 365 . 1 1 34 34 LEU CD1 C 13 22.575 . . . . . . A 34 LEU CD1 . 25069 1 366 . 1 1 34 34 LEU CD2 C 13 26.35 . . . . . . A 34 LEU CD2 . 25069 1 367 . 1 1 34 34 LEU N N 15 117.375 . . . . . . A 34 LEU N . 25069 1 368 . 1 1 35 35 LYS H H 1 7.901 . . . . . . A 35 LYS H . 25069 1 369 . 1 1 35 35 LYS HA H 1 3.526 . . . . . . A 35 LYS HA . 25069 1 370 . 1 1 35 35 LYS HB2 H 1 1.29 . . . . . . A 35 LYS HB2 . 25069 1 371 . 1 1 35 35 LYS HB3 H 1 1.573 . . . . . . A 35 LYS HB3 . 25069 1 372 . 1 1 35 35 LYS HG2 H 1 0.538 . . . . . . A 35 LYS HG2 . 25069 1 373 . 1 1 35 35 LYS HG3 H 1 0.732 . . . . . . A 35 LYS HG3 . 25069 1 374 . 1 1 35 35 LYS HD2 H 1 1.041 . . . . . . A 35 LYS HD2 . 25069 1 375 . 1 1 35 35 LYS HD3 H 1 1.095 . . . . . . A 35 LYS HD3 . 25069 1 376 . 1 1 35 35 LYS HE2 H 1 2.366 . . . . . . A 35 LYS HE2 . 25069 1 377 . 1 1 35 35 LYS HE3 H 1 2.366 . . . . . . A 35 LYS HE3 . 25069 1 378 . 1 1 35 35 LYS C C 13 179.129 . . . . . . A 35 LYS C . 25069 1 379 . 1 1 35 35 LYS CA C 13 60.166 . . . . . . A 35 LYS CA . 25069 1 380 . 1 1 35 35 LYS CB C 13 31.759 . . . . . . A 35 LYS CB . 25069 1 381 . 1 1 35 35 LYS CG C 13 24.477 . . . . . . A 35 LYS CG . 25069 1 382 . 1 1 35 35 LYS CD C 13 29.296 . . . . . . A 35 LYS CD . 25069 1 383 . 1 1 35 35 LYS CE C 13 43.87 . . . . . . A 35 LYS CE . 25069 1 384 . 1 1 35 35 LYS N N 15 117.418 . . . . . . A 35 LYS N . 25069 1 385 . 1 1 36 36 GLU H H 1 7.619 . . . . . . A 36 GLU H . 25069 1 386 . 1 1 36 36 GLU HA H 1 3.719 . . . . . . A 36 GLU HA . 25069 1 387 . 1 1 36 36 GLU HB2 H 1 2.015 . . . . . . A 36 GLU HB2 . 25069 1 388 . 1 1 36 36 GLU HB3 H 1 2.495 . . . . . . A 36 GLU HB3 . 25069 1 389 . 1 1 36 36 GLU HG2 H 1 2.266 . . . . . . A 36 GLU HG2 . 25069 1 390 . 1 1 36 36 GLU HG3 H 1 2.32 . . . . . . A 36 GLU HG3 . 25069 1 391 . 1 1 36 36 GLU C C 13 176.354 . . . . . . A 36 GLU C . 25069 1 392 . 1 1 36 36 GLU CA C 13 59.969 . . . . . . A 36 GLU CA . 25069 1 393 . 1 1 36 36 GLU CB C 13 29.393 . . . . . . A 36 GLU CB . 25069 1 394 . 1 1 36 36 GLU CG C 13 36.533 . . . . . . A 36 GLU CG . 25069 1 395 . 1 1 36 36 GLU N N 15 120.491 . . . . . . A 36 GLU N . 25069 1 396 . 1 1 37 37 LEU H H 1 7.762 . . . . . . A 37 LEU H . 25069 1 397 . 1 1 37 37 LEU HA H 1 2.425 . . . . . . A 37 LEU HA . 25069 1 398 . 1 1 37 37 LEU HB2 H 1 0.939 . . . . . . A 37 LEU HB2 . 25069 1 399 . 1 1 37 37 LEU HB3 H 1 1.444 . . . . . . A 37 LEU HB3 . 25069 1 400 . 1 1 37 37 LEU HG H 1 1.095 . . . . . . A 37 LEU HG . 25069 1 401 . 1 1 37 37 LEU HD11 H 1 0.669 . . . . . . A 37 LEU HD11 . 25069 1 402 . 1 1 37 37 LEU HD12 H 1 0.669 . . . . . . A 37 LEU HD12 . 25069 1 403 . 1 1 37 37 LEU HD13 H 1 0.669 . . . . . . A 37 LEU HD13 . 25069 1 404 . 1 1 37 37 LEU HD21 H 1 0.669 . . . . . . A 37 LEU HD21 . 25069 1 405 . 1 1 37 37 LEU HD22 H 1 0.669 . . . . . . A 37 LEU HD22 . 25069 1 406 . 1 1 37 37 LEU HD23 H 1 0.669 . . . . . . A 37 LEU HD23 . 25069 1 407 . 1 1 37 37 LEU C C 13 179.412 . . . . . . A 37 LEU C . 25069 1 408 . 1 1 37 37 LEU CA C 13 59.437 . . . . . . A 37 LEU CA . 25069 1 409 . 1 1 37 37 LEU CB C 13 41.804 . . . . . . A 37 LEU CB . 25069 1 410 . 1 1 37 37 LEU CG C 13 28.298 . . . . . . A 37 LEU CG . 25069 1 411 . 1 1 37 37 LEU CD1 C 13 27.546 . . . . . . A 37 LEU CD1 . 25069 1 412 . 1 1 37 37 LEU CD2 C 13 27.546 . . . . . . A 37 LEU CD2 . 25069 1 413 . 1 1 37 37 LEU N N 15 120.058 . . . . . . A 37 LEU N . 25069 1 414 . 1 1 38 38 LEU H H 1 8.532 . . . . . . A 38 LEU H . 25069 1 415 . 1 1 38 38 LEU HA H 1 3.665 . . . . . . A 38 LEU HA . 25069 1 416 . 1 1 38 38 LEU HB2 H 1 1.471 . . . . . . A 38 LEU HB2 . 25069 1 417 . 1 1 38 38 LEU HB3 H 1 1.857 . . . . . . A 38 LEU HB3 . 25069 1 418 . 1 1 38 38 LEU HD11 H 1 0.805 . . . . . . A 38 LEU HD11 . 25069 1 419 . 1 1 38 38 LEU HD12 H 1 0.805 . . . . . . A 38 LEU HD12 . 25069 1 420 . 1 1 38 38 LEU HD13 H 1 0.805 . . . . . . A 38 LEU HD13 . 25069 1 421 . 1 1 38 38 LEU HD21 H 1 0.808 . . . . . . A 38 LEU HD21 . 25069 1 422 . 1 1 38 38 LEU HD22 H 1 0.808 . . . . . . A 38 LEU HD22 . 25069 1 423 . 1 1 38 38 LEU HD23 H 1 0.808 . . . . . . A 38 LEU HD23 . 25069 1 424 . 1 1 38 38 LEU C C 13 178.279 . . . . . . A 38 LEU C . 25069 1 425 . 1 1 38 38 LEU CA C 13 58.678 . . . . . . A 38 LEU CA . 25069 1 426 . 1 1 38 38 LEU CB C 13 42.314 . . . . . . A 38 LEU CB . 25069 1 427 . 1 1 38 38 LEU CD1 C 13 23.624 . . . . . . A 38 LEU CD1 . 25069 1 428 . 1 1 38 38 LEU CD2 C 13 26.592 . . . . . . A 38 LEU CD2 . 25069 1 429 . 1 1 38 38 LEU N N 15 116.987 . . . . . . A 38 LEU N . 25069 1 430 . 1 1 39 39 THR H H 1 7.883 . . . . . . A 39 THR H . 25069 1 431 . 1 1 39 39 THR HA H 1 3.693 . . . . . . A 39 THR HA . 25069 1 432 . 1 1 39 39 THR HB H 1 4.025 . . . . . . A 39 THR HB . 25069 1 433 . 1 1 39 39 THR HG21 H 1 1.103 . . . . . . A 39 THR HG21 . 25069 1 434 . 1 1 39 39 THR HG22 H 1 1.103 . . . . . . A 39 THR HG22 . 25069 1 435 . 1 1 39 39 THR HG23 H 1 1.103 . . . . . . A 39 THR HG23 . 25069 1 436 . 1 1 39 39 THR C C 13 176.231 . . . . . . A 39 THR C . 25069 1 437 . 1 1 39 39 THR CA C 13 65.997 . . . . . . A 39 THR CA . 25069 1 438 . 1 1 39 39 THR CB C 13 69.618 . . . . . . A 39 THR CB . 25069 1 439 . 1 1 39 39 THR CG2 C 13 21.337 . . . . . . A 39 THR CG2 . 25069 1 440 . 1 1 39 39 THR N N 15 108.65 . . . . . . A 39 THR N . 25069 1 441 . 1 1 40 40 ARG H H 1 8.015 . . . . . . A 40 ARG H . 25069 1 442 . 1 1 40 40 ARG HA H 1 4.152 . . . . . . A 40 ARG HA . 25069 1 443 . 1 1 40 40 ARG HB2 H 1 1.762 . . . . . . A 40 ARG HB2 . 25069 1 444 . 1 1 40 40 ARG HB3 H 1 1.953 . . . . . . A 40 ARG HB3 . 25069 1 445 . 1 1 40 40 ARG HG2 H 1 1.612 . . . . . . A 40 ARG HG2 . 25069 1 446 . 1 1 40 40 ARG HG3 H 1 1.8 . . . . . . A 40 ARG HG3 . 25069 1 447 . 1 1 40 40 ARG HD2 H 1 3.187 . . . . . . A 40 ARG HD2 . 25069 1 448 . 1 1 40 40 ARG HD3 H 1 3.187 . . . . . . A 40 ARG HD3 . 25069 1 449 . 1 1 40 40 ARG C C 13 178.52 . . . . . . A 40 ARG C . 25069 1 450 . 1 1 40 40 ARG CA C 13 58.035 . . . . . . A 40 ARG CA . 25069 1 451 . 1 1 40 40 ARG CB C 13 31.245 . . . . . . A 40 ARG CB . 25069 1 452 . 1 1 40 40 ARG CG C 13 28.005 . . . . . . A 40 ARG CG . 25069 1 453 . 1 1 40 40 ARG CD C 13 43.275 . . . . . . A 40 ARG CD . 25069 1 454 . 1 1 40 40 ARG N N 15 115.482 . . . . . . A 40 ARG N . 25069 1 455 . 1 1 41 41 GLU H H 1 8.463 . . . . . . A 41 GLU H . 25069 1 456 . 1 1 41 41 GLU HA H 1 4.834 . . . . . . A 41 GLU HA . 25069 1 457 . 1 1 41 41 GLU HB2 H 1 1.821 . . . . . . A 41 GLU HB2 . 25069 1 458 . 1 1 41 41 GLU HB3 H 1 2.341 . . . . . . A 41 GLU HB3 . 25069 1 459 . 1 1 41 41 GLU HG2 H 1 2.191 . . . . . . A 41 GLU HG2 . 25069 1 460 . 1 1 41 41 GLU HG3 H 1 2.387 . . . . . . A 41 GLU HG3 . 25069 1 461 . 1 1 41 41 GLU C C 13 177.856 . . . . . . A 41 GLU C . 25069 1 462 . 1 1 41 41 GLU CA C 13 55.198 . . . . . . A 41 GLU CA . 25069 1 463 . 1 1 41 41 GLU CB C 13 30.321 . . . . . . A 41 GLU CB . 25069 1 464 . 1 1 41 41 GLU CG C 13 35.11 . . . . . . A 41 GLU CG . 25069 1 465 . 1 1 41 41 GLU N N 15 112.106 . . . . . . A 41 GLU N . 25069 1 466 . 1 1 42 42 LEU H H 1 7.688 . . . . . . A 42 LEU H . 25069 1 467 . 1 1 42 42 LEU HA H 1 5.052 . . . . . . A 42 LEU HA . 25069 1 468 . 1 1 42 42 LEU HB2 H 1 1.582 . . . . . . A 42 LEU HB2 . 25069 1 469 . 1 1 42 42 LEU HB3 H 1 1.91 . . . . . . A 42 LEU HB3 . 25069 1 470 . 1 1 42 42 LEU HG H 1 1.367 . . . . . . A 42 LEU HG . 25069 1 471 . 1 1 42 42 LEU HD11 H 1 0.592 . . . . . . A 42 LEU HD11 . 25069 1 472 . 1 1 42 42 LEU HD12 H 1 0.592 . . . . . . A 42 LEU HD12 . 25069 1 473 . 1 1 42 42 LEU HD13 H 1 0.592 . . . . . . A 42 LEU HD13 . 25069 1 474 . 1 1 42 42 LEU HD21 H 1 0.683 . . . . . . A 42 LEU HD21 . 25069 1 475 . 1 1 42 42 LEU HD22 H 1 0.683 . . . . . . A 42 LEU HD22 . 25069 1 476 . 1 1 42 42 LEU HD23 H 1 0.683 . . . . . . A 42 LEU HD23 . 25069 1 477 . 1 1 42 42 LEU C C 13 174.457 . . . . . . A 42 LEU C . 25069 1 478 . 1 1 42 42 LEU CA C 13 52.838 . . . . . . A 42 LEU CA . 25069 1 479 . 1 1 42 42 LEU CB C 13 44.083 . . . . . . A 42 LEU CB . 25069 1 480 . 1 1 42 42 LEU CG C 13 26.182 . . . . . . A 42 LEU CG . 25069 1 481 . 1 1 42 42 LEU CD1 C 13 26.272 . . . . . . A 42 LEU CD1 . 25069 1 482 . 1 1 42 42 LEU CD2 C 13 26.272 . . . . . . A 42 LEU CD2 . 25069 1 483 . 1 1 42 42 LEU N N 15 119.287 . . . . . . A 42 LEU N . 25069 1 484 . 1 1 43 43 PRO HA H 1 4.204 . . . . . . A 43 PRO HA . 25069 1 485 . 1 1 43 43 PRO HB2 H 1 1.874 . . . . . . A 43 PRO HB2 . 25069 1 486 . 1 1 43 43 PRO HB3 H 1 2.258 . . . . . . A 43 PRO HB3 . 25069 1 487 . 1 1 43 43 PRO HG2 H 1 2.031 . . . . . . A 43 PRO HG2 . 25069 1 488 . 1 1 43 43 PRO HG3 H 1 2.031 . . . . . . A 43 PRO HG3 . 25069 1 489 . 1 1 43 43 PRO HD2 H 1 3.412 . . . . . . A 43 PRO HD2 . 25069 1 490 . 1 1 43 43 PRO HD3 H 1 3.412 . . . . . . A 43 PRO HD3 . 25069 1 491 . 1 1 43 43 PRO C C 13 179.969 . . . . . . A 43 PRO C . 25069 1 492 . 1 1 43 43 PRO CA C 13 65.689 . . . . . . A 43 PRO CA . 25069 1 493 . 1 1 43 43 PRO CB C 13 30.827 . . . . . . A 43 PRO CB . 25069 1 494 . 1 1 43 43 PRO CG C 13 28.062 . . . . . . A 43 PRO CG . 25069 1 495 . 1 1 43 43 PRO CD C 13 50.057 . . . . . . A 43 PRO CD . 25069 1 496 . 1 1 44 44 SER H H 1 8.674 . . . . . . A 44 SER H . 25069 1 497 . 1 1 44 44 SER HA H 1 4.093 . . . . . . A 44 SER HA . 25069 1 498 . 1 1 44 44 SER HB2 H 1 3.716 . . . . . . A 44 SER HB2 . 25069 1 499 . 1 1 44 44 SER HB3 H 1 3.716 . . . . . . A 44 SER HB3 . 25069 1 500 . 1 1 44 44 SER C C 13 175.709 . . . . . . A 44 SER C . 25069 1 501 . 1 1 44 44 SER CA C 13 60.793 . . . . . . A 44 SER CA . 25069 1 502 . 1 1 44 44 SER CB C 13 62.4 . . . . . . A 44 SER CB . 25069 1 503 . 1 1 44 44 SER N N 15 114.352 . . . . . . A 44 SER N . 25069 1 504 . 1 1 45 45 PHE H H 1 7.952 . . . . . . A 45 PHE H . 25069 1 505 . 1 1 45 45 PHE HA H 1 4.152 . . . . . . A 45 PHE HA . 25069 1 506 . 1 1 45 45 PHE HB2 H 1 3.002 . . . . . . A 45 PHE HB2 . 25069 1 507 . 1 1 45 45 PHE HB3 H 1 3.002 . . . . . . A 45 PHE HB3 . 25069 1 508 . 1 1 45 45 PHE C C 13 176.441 . . . . . . A 45 PHE C . 25069 1 509 . 1 1 45 45 PHE CA C 13 60.334 . . . . . . A 45 PHE CA . 25069 1 510 . 1 1 45 45 PHE CB C 13 39.789 . . . . . . A 45 PHE CB . 25069 1 511 . 1 1 45 45 PHE N N 15 121.558 . . . . . . A 45 PHE N . 25069 1 512 . 1 1 46 46 LEU H H 1 7.906 . . . . . . A 46 LEU H . 25069 1 513 . 1 1 46 46 LEU HA H 1 3.836 . . . . . . A 46 LEU HA . 25069 1 514 . 1 1 46 46 LEU HB2 H 1 1.499 . . . . . . A 46 LEU HB2 . 25069 1 515 . 1 1 46 46 LEU HB3 H 1 1.499 . . . . . . A 46 LEU HB3 . 25069 1 516 . 1 1 46 46 LEU HD11 H 1 0.738 . . . . . . A 46 LEU HD11 . 25069 1 517 . 1 1 46 46 LEU HD12 H 1 0.738 . . . . . . A 46 LEU HD12 . 25069 1 518 . 1 1 46 46 LEU HD13 H 1 0.738 . . . . . . A 46 LEU HD13 . 25069 1 519 . 1 1 46 46 LEU HD21 H 1 0.776 . . . . . . A 46 LEU HD21 . 25069 1 520 . 1 1 46 46 LEU HD22 H 1 0.776 . . . . . . A 46 LEU HD22 . 25069 1 521 . 1 1 46 46 LEU HD23 H 1 0.776 . . . . . . A 46 LEU HD23 . 25069 1 522 . 1 1 46 46 LEU C C 13 178.236 . . . . . . A 46 LEU C . 25069 1 523 . 1 1 46 46 LEU CA C 13 56.144 . . . . . . A 46 LEU CA . 25069 1 524 . 1 1 46 46 LEU CB C 13 42.516 . . . . . . A 46 LEU CB . 25069 1 525 . 1 1 46 46 LEU CD1 C 13 23.87 . . . . . . A 46 LEU CD1 . 25069 1 526 . 1 1 46 46 LEU CD2 C 13 25.255 . . . . . . A 46 LEU CD2 . 25069 1 527 . 1 1 46 46 LEU N N 15 117.59 . . . . . . A 46 LEU N . 25069 1 528 . 1 1 47 47 GLY H H 1 7.646 . . . . . . A 47 GLY H . 25069 1 529 . 1 1 47 47 GLY HA2 H 1 3.696 . . . . . . A 47 GLY HA2 . 25069 1 530 . 1 1 47 47 GLY HA3 H 1 3.696 . . . . . . A 47 GLY HA3 . 25069 1 531 . 1 1 47 47 GLY C C 13 174.665 . . . . . . A 47 GLY C . 25069 1 532 . 1 1 47 47 GLY CA C 13 45.985 . . . . . . A 47 GLY CA . 25069 1 533 . 1 1 47 47 GLY N N 15 104.817 . . . . . . A 47 GLY N . 25069 1 534 . 1 1 48 48 LYS H H 1 8.4 . . . . . . A 48 LYS H . 25069 1 535 . 1 1 48 48 LYS HA H 1 4.152 . . . . . . A 48 LYS HA . 25069 1 536 . 1 1 48 48 LYS HB2 H 1 1.586 . . . . . . A 48 LYS HB2 . 25069 1 537 . 1 1 48 48 LYS HB3 H 1 1.821 . . . . . . A 48 LYS HB3 . 25069 1 538 . 1 1 48 48 LYS HG2 H 1 1.271 . . . . . . A 48 LYS HG2 . 25069 1 539 . 1 1 48 48 LYS HG3 H 1 1.271 . . . . . . A 48 LYS HG3 . 25069 1 540 . 1 1 48 48 LYS HD2 H 1 1.51 . . . . . . A 48 LYS HD2 . 25069 1 541 . 1 1 48 48 LYS HD3 H 1 1.51 . . . . . . A 48 LYS HD3 . 25069 1 542 . 1 1 48 48 LYS HE2 H 1 2.822 . . . . . . A 48 LYS HE2 . 25069 1 543 . 1 1 48 48 LYS HE3 H 1 2.822 . . . . . . A 48 LYS HE3 . 25069 1 544 . 1 1 48 48 LYS C C 13 177.029 . . . . . . A 48 LYS C . 25069 1 545 . 1 1 48 48 LYS CA C 13 56.48 . . . . . . A 48 LYS CA . 25069 1 546 . 1 1 48 48 LYS CB C 13 32.252 . . . . . . A 48 LYS CB . 25069 1 547 . 1 1 48 48 LYS CG C 13 24.681 . . . . . . A 48 LYS CG . 25069 1 548 . 1 1 48 48 LYS CD C 13 28.905 . . . . . . A 48 LYS CD . 25069 1 549 . 1 1 48 48 LYS CE C 13 42.168 . . . . . . A 48 LYS CE . 25069 1 550 . 1 1 48 48 LYS N N 15 120.422 . . . . . . A 48 LYS N . 25069 1 551 . 1 1 49 49 ARG H H 1 7.801 . . . . . . A 49 ARG H . 25069 1 552 . 1 1 49 49 ARG HA H 1 4.303 . . . . . . A 49 ARG HA . 25069 1 553 . 1 1 49 49 ARG HB2 H 1 1.641 . . . . . . A 49 ARG HB2 . 25069 1 554 . 1 1 49 49 ARG HB3 H 1 1.641 . . . . . . A 49 ARG HB3 . 25069 1 555 . 1 1 49 49 ARG HG2 H 1 1.423 . . . . . . A 49 ARG HG2 . 25069 1 556 . 1 1 49 49 ARG HG3 H 1 1.423 . . . . . . A 49 ARG HG3 . 25069 1 557 . 1 1 49 49 ARG HD2 H 1 2.939 . . . . . . A 49 ARG HD2 . 25069 1 558 . 1 1 49 49 ARG HD3 H 1 3.008 . . . . . . A 49 ARG HD3 . 25069 1 559 . 1 1 49 49 ARG C C 13 175.183 . . . . . . A 49 ARG C . 25069 1 560 . 1 1 49 49 ARG CA C 13 55.699 . . . . . . A 49 ARG CA . 25069 1 561 . 1 1 49 49 ARG CB C 13 29.507 . . . . . . A 49 ARG CB . 25069 1 562 . 1 1 49 49 ARG CG C 13 26.779 . . . . . . A 49 ARG CG . 25069 1 563 . 1 1 49 49 ARG CD C 13 43.359 . . . . . . A 49 ARG CD . 25069 1 564 . 1 1 49 49 ARG N N 15 119.815 . . . . . . A 49 ARG N . 25069 1 565 . 1 1 50 50 THR H H 1 7.808 . . . . . . A 50 THR H . 25069 1 566 . 1 1 50 50 THR HA H 1 4.091 . . . . . . A 50 THR HA . 25069 1 567 . 1 1 50 50 THR HB H 1 4.194 . . . . . . A 50 THR HB . 25069 1 568 . 1 1 50 50 THR HG21 H 1 0.93 . . . . . . A 50 THR HG21 . 25069 1 569 . 1 1 50 50 THR HG22 H 1 0.93 . . . . . . A 50 THR HG22 . 25069 1 570 . 1 1 50 50 THR HG23 H 1 0.93 . . . . . . A 50 THR HG23 . 25069 1 571 . 1 1 50 50 THR C C 13 174.108 . . . . . . A 50 THR C . 25069 1 572 . 1 1 50 50 THR CA C 13 61.579 . . . . . . A 50 THR CA . 25069 1 573 . 1 1 50 50 THR CB C 13 69.136 . . . . . . A 50 THR CB . 25069 1 574 . 1 1 50 50 THR CG2 C 13 21.53 . . . . . . A 50 THR CG2 . 25069 1 575 . 1 1 50 50 THR N N 15 110.525 . . . . . . A 50 THR N . 25069 1 576 . 1 1 51 51 ASP H H 1 7.924 . . . . . . A 51 ASP H . 25069 1 577 . 1 1 51 51 ASP HA H 1 4.56 . . . . . . A 51 ASP HA . 25069 1 578 . 1 1 51 51 ASP HB2 H 1 2.709 . . . . . . A 51 ASP HB2 . 25069 1 579 . 1 1 51 51 ASP HB3 H 1 2.709 . . . . . . A 51 ASP HB3 . 25069 1 580 . 1 1 51 51 ASP C C 13 175.715 . . . . . . A 51 ASP C . 25069 1 581 . 1 1 51 51 ASP CA C 13 53.054 . . . . . . A 51 ASP CA . 25069 1 582 . 1 1 51 51 ASP CB C 13 41.811 . . . . . . A 51 ASP CB . 25069 1 583 . 1 1 51 51 ASP N N 15 121.073 . . . . . . A 51 ASP N . 25069 1 584 . 1 1 52 52 GLU H H 1 8.515 . . . . . . A 52 GLU H . 25069 1 585 . 1 1 52 52 GLU HA H 1 4.042 . . . . . . A 52 GLU HA . 25069 1 586 . 1 1 52 52 GLU HB2 H 1 1.939 . . . . . . A 52 GLU HB2 . 25069 1 587 . 1 1 52 52 GLU HB3 H 1 1.939 . . . . . . A 52 GLU HB3 . 25069 1 588 . 1 1 52 52 GLU HG2 H 1 2.237 . . . . . . A 52 GLU HG2 . 25069 1 589 . 1 1 52 52 GLU HG3 H 1 2.237 . . . . . . A 52 GLU HG3 . 25069 1 590 . 1 1 52 52 GLU C C 13 178.726 . . . . . . A 52 GLU C . 25069 1 591 . 1 1 52 52 GLU CA C 13 59.56 . . . . . . A 52 GLU CA . 25069 1 592 . 1 1 52 52 GLU CB C 13 29.384 . . . . . . A 52 GLU CB . 25069 1 593 . 1 1 52 52 GLU CG C 13 35.809 . . . . . . A 52 GLU CG . 25069 1 594 . 1 1 52 52 GLU N N 15 120.418 . . . . . . A 52 GLU N . 25069 1 595 . 1 1 53 53 ALA H H 1 8.242 . . . . . . A 53 ALA H . 25069 1 596 . 1 1 53 53 ALA HA H 1 4.036 . . . . . . A 53 ALA HA . 25069 1 597 . 1 1 53 53 ALA HB1 H 1 1.311 . . . . . . A 53 ALA HB1 . 25069 1 598 . 1 1 53 53 ALA HB2 H 1 1.311 . . . . . . A 53 ALA HB2 . 25069 1 599 . 1 1 53 53 ALA HB3 H 1 1.311 . . . . . . A 53 ALA HB3 . 25069 1 600 . 1 1 53 53 ALA C C 13 180.416 . . . . . . A 53 ALA C . 25069 1 601 . 1 1 53 53 ALA CA C 13 55.141 . . . . . . A 53 ALA CA . 25069 1 602 . 1 1 53 53 ALA CB C 13 17.944 . . . . . . A 53 ALA CB . 25069 1 603 . 1 1 53 53 ALA N N 15 120.807 . . . . . . A 53 ALA N . 25069 1 604 . 1 1 54 54 ALA H H 1 7.874 . . . . . . A 54 ALA H . 25069 1 605 . 1 1 54 54 ALA HA H 1 3.927 . . . . . . A 54 ALA HA . 25069 1 606 . 1 1 54 54 ALA HB1 H 1 1.235 . . . . . . A 54 ALA HB1 . 25069 1 607 . 1 1 54 54 ALA HB2 H 1 1.235 . . . . . . A 54 ALA HB2 . 25069 1 608 . 1 1 54 54 ALA HB3 H 1 1.235 . . . . . . A 54 ALA HB3 . 25069 1 609 . 1 1 54 54 ALA C C 13 180.846 . . . . . . A 54 ALA C . 25069 1 610 . 1 1 54 54 ALA CA C 13 54.977 . . . . . . A 54 ALA CA . 25069 1 611 . 1 1 54 54 ALA CB C 13 18.337 . . . . . . A 54 ALA CB . 25069 1 612 . 1 1 54 54 ALA N N 15 121.069 . . . . . . A 54 ALA N . 25069 1 613 . 1 1 55 55 PHE H H 1 8.013 . . . . . . A 55 PHE H . 25069 1 614 . 1 1 55 55 PHE HA H 1 3.967 . . . . . . A 55 PHE HA . 25069 1 615 . 1 1 55 55 PHE HB2 H 1 2.929 . . . . . . A 55 PHE HB2 . 25069 1 616 . 1 1 55 55 PHE HB3 H 1 2.995 . . . . . . A 55 PHE HB3 . 25069 1 617 . 1 1 55 55 PHE C C 13 177.16 . . . . . . A 55 PHE C . 25069 1 618 . 1 1 55 55 PHE CA C 13 62.029 . . . . . . A 55 PHE CA . 25069 1 619 . 1 1 55 55 PHE CB C 13 38.832 . . . . . . A 55 PHE CB . 25069 1 620 . 1 1 55 55 PHE N N 15 118.066 . . . . . . A 55 PHE N . 25069 1 621 . 1 1 56 56 GLN H H 1 8.265 . . . . . . A 56 GLN H . 25069 1 622 . 1 1 56 56 GLN HA H 1 3.74 . . . . . . A 56 GLN HA . 25069 1 623 . 1 1 56 56 GLN HB2 H 1 2.026 . . . . . . A 56 GLN HB2 . 25069 1 624 . 1 1 56 56 GLN HB3 H 1 2.026 . . . . . . A 56 GLN HB3 . 25069 1 625 . 1 1 56 56 GLN HG2 H 1 2.34 . . . . . . A 56 GLN HG2 . 25069 1 626 . 1 1 56 56 GLN HG3 H 1 2.34 . . . . . . A 56 GLN HG3 . 25069 1 627 . 1 1 56 56 GLN HE21 H 1 6.738 . . . . . . A 56 GLN HE21 . 25069 1 628 . 1 1 56 56 GLN HE22 H 1 7.438 . . . . . . A 56 GLN HE22 . 25069 1 629 . 1 1 56 56 GLN C C 13 178.531 . . . . . . A 56 GLN C . 25069 1 630 . 1 1 56 56 GLN CA C 13 58.832 . . . . . . A 56 GLN CA . 25069 1 631 . 1 1 56 56 GLN CB C 13 27.854 . . . . . . A 56 GLN CB . 25069 1 632 . 1 1 56 56 GLN CG C 13 33.644 . . . . . . A 56 GLN CG . 25069 1 633 . 1 1 56 56 GLN N N 15 118.474 . . . . . . A 56 GLN N . 25069 1 634 . 1 1 56 56 GLN NE2 N 15 111.462 . . . . . . A 56 GLN NE2 . 25069 1 635 . 1 1 57 57 LYS H H 1 7.622 . . . . . . A 57 LYS H . 25069 1 636 . 1 1 57 57 LYS HA H 1 3.853 . . . . . . A 57 LYS HA . 25069 1 637 . 1 1 57 57 LYS HB2 H 1 1.724 . . . . . . A 57 LYS HB2 . 25069 1 638 . 1 1 57 57 LYS HB3 H 1 1.724 . . . . . . A 57 LYS HB3 . 25069 1 639 . 1 1 57 57 LYS HG2 H 1 1.277 . . . . . . A 57 LYS HG2 . 25069 1 640 . 1 1 57 57 LYS HG3 H 1 1.277 . . . . . . A 57 LYS HG3 . 25069 1 641 . 1 1 57 57 LYS HD2 H 1 1.517 . . . . . . A 57 LYS HD2 . 25069 1 642 . 1 1 57 57 LYS HD3 H 1 1.517 . . . . . . A 57 LYS HD3 . 25069 1 643 . 1 1 57 57 LYS HE2 H 1 2.819 . . . . . . A 57 LYS HE2 . 25069 1 644 . 1 1 57 57 LYS HE3 H 1 2.819 . . . . . . A 57 LYS HE3 . 25069 1 645 . 1 1 57 57 LYS C C 13 178.458 . . . . . . A 57 LYS C . 25069 1 646 . 1 1 57 57 LYS CA C 13 59.077 . . . . . . A 57 LYS CA . 25069 1 647 . 1 1 57 57 LYS CB C 13 32.134 . . . . . . A 57 LYS CB . 25069 1 648 . 1 1 57 57 LYS CG C 13 24.77 . . . . . . A 57 LYS CG . 25069 1 649 . 1 1 57 57 LYS CD C 13 29.136 . . . . . . A 57 LYS CD . 25069 1 650 . 1 1 57 57 LYS CE C 13 38.852 . . . . . . A 57 LYS CE . 25069 1 651 . 1 1 57 57 LYS N N 15 119.207 . . . . . . A 57 LYS N . 25069 1 652 . 1 1 58 58 LEU H H 1 7.504 . . . . . . A 58 LEU H . 25069 1 653 . 1 1 58 58 LEU HA H 1 3.905 . . . . . . A 58 LEU HA . 25069 1 654 . 1 1 58 58 LEU HB2 H 1 1.456 . . . . . . A 58 LEU HB2 . 25069 1 655 . 1 1 58 58 LEU HB3 H 1 1.456 . . . . . . A 58 LEU HB3 . 25069 1 656 . 1 1 58 58 LEU HD11 H 1 0.651 . . . . . . A 58 LEU HD11 . 25069 1 657 . 1 1 58 58 LEU HD12 H 1 0.651 . . . . . . A 58 LEU HD12 . 25069 1 658 . 1 1 58 58 LEU HD13 H 1 0.651 . . . . . . A 58 LEU HD13 . 25069 1 659 . 1 1 58 58 LEU HD21 H 1 0.643 . . . . . . A 58 LEU HD21 . 25069 1 660 . 1 1 58 58 LEU HD22 H 1 0.643 . . . . . . A 58 LEU HD22 . 25069 1 661 . 1 1 58 58 LEU HD23 H 1 0.643 . . . . . . A 58 LEU HD23 . 25069 1 662 . 1 1 58 58 LEU C C 13 178.444 . . . . . . A 58 LEU C . 25069 1 663 . 1 1 58 58 LEU CA C 13 58.121 . . . . . . A 58 LEU CA . 25069 1 664 . 1 1 58 58 LEU CB C 13 41.654 . . . . . . A 58 LEU CB . 25069 1 665 . 1 1 58 58 LEU CD1 C 13 24.284 . . . . . . A 58 LEU CD1 . 25069 1 666 . 1 1 58 58 LEU CD2 C 13 25.602 . . . . . . A 58 LEU CD2 . 25069 1 667 . 1 1 58 58 LEU N N 15 119.398 . . . . . . A 58 LEU N . 25069 1 668 . 1 1 59 59 MET H H 1 8.049 . . . . . . A 59 MET H . 25069 1 669 . 1 1 59 59 MET HA H 1 3.614 . . . . . . A 59 MET HA . 25069 1 670 . 1 1 59 59 MET HB2 H 1 1.535 . . . . . . A 59 MET HB2 . 25069 1 671 . 1 1 59 59 MET HB3 H 1 1.879 . . . . . . A 59 MET HB3 . 25069 1 672 . 1 1 59 59 MET HG2 H 1 2.178 . . . . . . A 59 MET HG2 . 25069 1 673 . 1 1 59 59 MET HG3 H 1 2.25 . . . . . . A 59 MET HG3 . 25069 1 674 . 1 1 59 59 MET C C 13 177.513 . . . . . . A 59 MET C . 25069 1 675 . 1 1 59 59 MET CA C 13 58.765 . . . . . . A 59 MET CA . 25069 1 676 . 1 1 59 59 MET CB C 13 31.06 . . . . . . A 59 MET CB . 25069 1 677 . 1 1 59 59 MET CG C 13 32.636 . . . . . . A 59 MET CG . 25069 1 678 . 1 1 59 59 MET N N 15 116.434 . . . . . . A 59 MET N . 25069 1 679 . 1 1 60 60 SER H H 1 7.839 . . . . . . A 60 SER H . 25069 1 680 . 1 1 60 60 SER HA H 1 4.066 . . . . . . A 60 SER HA . 25069 1 681 . 1 1 60 60 SER HB2 H 1 3.817 . . . . . . A 60 SER HB2 . 25069 1 682 . 1 1 60 60 SER HB3 H 1 3.817 . . . . . . A 60 SER HB3 . 25069 1 683 . 1 1 60 60 SER C C 13 175.986 . . . . . . A 60 SER C . 25069 1 684 . 1 1 60 60 SER CA C 13 61.416 . . . . . . A 60 SER CA . 25069 1 685 . 1 1 60 60 SER CB C 13 62.945 . . . . . . A 60 SER CB . 25069 1 686 . 1 1 60 60 SER N N 15 111.447 . . . . . . A 60 SER N . 25069 1 687 . 1 1 61 61 ASN H H 1 7.615 . . . . . . A 61 ASN H . 25069 1 688 . 1 1 61 61 ASN HA H 1 4.35 . . . . . . A 61 ASN HA . 25069 1 689 . 1 1 61 61 ASN HB2 H 1 2.673 . . . . . . A 61 ASN HB2 . 25069 1 690 . 1 1 61 61 ASN HB3 H 1 2.748 . . . . . . A 61 ASN HB3 . 25069 1 691 . 1 1 61 61 ASN HD21 H 1 6.694 . . . . . . A 61 ASN HD21 . 25069 1 692 . 1 1 61 61 ASN HD22 H 1 7.267 . . . . . . A 61 ASN HD22 . 25069 1 693 . 1 1 61 61 ASN C C 13 176.377 . . . . . . A 61 ASN C . 25069 1 694 . 1 1 61 61 ASN CA C 13 55.003 . . . . . . A 61 ASN CA . 25069 1 695 . 1 1 61 61 ASN CB C 13 38.873 . . . . . . A 61 ASN CB . 25069 1 696 . 1 1 61 61 ASN N N 15 117.559 . . . . . . A 61 ASN N . 25069 1 697 . 1 1 61 61 ASN ND2 N 15 110.226 . . . . . . A 61 ASN ND2 . 25069 1 698 . 1 1 62 62 LEU H H 1 7.719 . . . . . . A 62 LEU H . 25069 1 699 . 1 1 62 62 LEU HA H 1 4.028 . . . . . . A 62 LEU HA . 25069 1 700 . 1 1 62 62 LEU HB2 H 1 1.139 . . . . . . A 62 LEU HB2 . 25069 1 701 . 1 1 62 62 LEU HB3 H 1 1.43 . . . . . . A 62 LEU HB3 . 25069 1 702 . 1 1 62 62 LEU HG H 1 1.427 . . . . . . A 62 LEU HG . 25069 1 703 . 1 1 62 62 LEU HD11 H 1 0.127 . . . . . . A 62 LEU HD11 . 25069 1 704 . 1 1 62 62 LEU HD12 H 1 0.127 . . . . . . A 62 LEU HD12 . 25069 1 705 . 1 1 62 62 LEU HD13 H 1 0.127 . . . . . . A 62 LEU HD13 . 25069 1 706 . 1 1 62 62 LEU HD21 H 1 0.235 . . . . . . A 62 LEU HD21 . 25069 1 707 . 1 1 62 62 LEU HD22 H 1 0.235 . . . . . . A 62 LEU HD22 . 25069 1 708 . 1 1 62 62 LEU HD23 H 1 0.235 . . . . . . A 62 LEU HD23 . 25069 1 709 . 1 1 62 62 LEU C C 13 178.394 . . . . . . A 62 LEU C . 25069 1 710 . 1 1 62 62 LEU CA C 13 56.997 . . . . . . A 62 LEU CA . 25069 1 711 . 1 1 62 62 LEU CB C 13 43.402 . . . . . . A 62 LEU CB . 25069 1 712 . 1 1 62 62 LEU CG C 13 27.975 . . . . . . A 62 LEU CG . 25069 1 713 . 1 1 62 62 LEU CD1 C 13 23.657 . . . . . . A 62 LEU CD1 . 25069 1 714 . 1 1 62 62 LEU CD2 C 13 23.657 . . . . . . A 62 LEU CD2 . 25069 1 715 . 1 1 62 62 LEU N N 15 117.926 . . . . . . A 62 LEU N . 25069 1 716 . 1 1 63 63 ASP H H 1 7.707 . . . . . . A 63 ASP H . 25069 1 717 . 1 1 63 63 ASP HA H 1 4.568 . . . . . . A 63 ASP HA . 25069 1 718 . 1 1 63 63 ASP HB2 H 1 2.138 . . . . . . A 63 ASP HB2 . 25069 1 719 . 1 1 63 63 ASP HB3 H 1 2.708 . . . . . . A 63 ASP HB3 . 25069 1 720 . 1 1 63 63 ASP C C 13 176.866 . . . . . . A 63 ASP C . 25069 1 721 . 1 1 63 63 ASP CA C 13 52.74 . . . . . . A 63 ASP CA . 25069 1 722 . 1 1 63 63 ASP CB C 13 39.486 . . . . . . A 63 ASP CB . 25069 1 723 . 1 1 63 63 ASP N N 15 115.899 . . . . . . A 63 ASP N . 25069 1 724 . 1 1 64 64 SER H H 1 8.034 . . . . . . A 64 SER H . 25069 1 725 . 1 1 64 64 SER HA H 1 4.08 . . . . . . A 64 SER HA . 25069 1 726 . 1 1 64 64 SER HB2 H 1 3.851 . . . . . . A 64 SER HB2 . 25069 1 727 . 1 1 64 64 SER HB3 H 1 3.851 . . . . . . A 64 SER HB3 . 25069 1 728 . 1 1 64 64 SER C C 13 175.78 . . . . . . A 64 SER C . 25069 1 729 . 1 1 64 64 SER CA C 13 60.698 . . . . . . A 64 SER CA . 25069 1 730 . 1 1 64 64 SER CB C 13 63.034 . . . . . . A 64 SER CB . 25069 1 731 . 1 1 64 64 SER N N 15 121.158 . . . . . . A 64 SER N . 25069 1 732 . 1 1 65 65 ASN H H 1 8.055 . . . . . . A 65 ASN H . 25069 1 733 . 1 1 65 65 ASN HA H 1 4.664 . . . . . . A 65 ASN HA . 25069 1 734 . 1 1 65 65 ASN HB2 H 1 2.744 . . . . . . A 65 ASN HB2 . 25069 1 735 . 1 1 65 65 ASN HB3 H 1 3.107 . . . . . . A 65 ASN HB3 . 25069 1 736 . 1 1 65 65 ASN HD21 H 1 6.407 . . . . . . A 65 ASN HD21 . 25069 1 737 . 1 1 65 65 ASN HD22 H 1 7.71 . . . . . . A 65 ASN HD22 . 25069 1 738 . 1 1 65 65 ASN C C 13 174.775 . . . . . . A 65 ASN C . 25069 1 739 . 1 1 65 65 ASN CA C 13 51.999 . . . . . . A 65 ASN CA . 25069 1 740 . 1 1 65 65 ASN CB C 13 37.171 . . . . . . A 65 ASN CB . 25069 1 741 . 1 1 65 65 ASN N N 15 115.443 . . . . . . A 65 ASN N . 25069 1 742 . 1 1 65 65 ASN ND2 N 15 111.494 . . . . . . A 65 ASN ND2 . 25069 1 743 . 1 1 66 66 ARG H H 1 7.56 . . . . . . A 66 ARG H . 25069 1 744 . 1 1 66 66 ARG HA H 1 3.927 . . . . . . A 66 ARG HA . 25069 1 745 . 1 1 66 66 ARG HB2 H 1 1.432 . . . . . . A 66 ARG HB2 . 25069 1 746 . 1 1 66 66 ARG HB3 H 1 1.83 . . . . . . A 66 ARG HB3 . 25069 1 747 . 1 1 66 66 ARG HG2 H 1 1.404 . . . . . . A 66 ARG HG2 . 25069 1 748 . 1 1 66 66 ARG HG3 H 1 1.404 . . . . . . A 66 ARG HG3 . 25069 1 749 . 1 1 66 66 ARG HD2 H 1 3.053 . . . . . . A 66 ARG HD2 . 25069 1 750 . 1 1 66 66 ARG HD3 H 1 3.123 . . . . . . A 66 ARG HD3 . 25069 1 751 . 1 1 66 66 ARG C C 13 175.354 . . . . . . A 66 ARG C . 25069 1 752 . 1 1 66 66 ARG CA C 13 57.159 . . . . . . A 66 ARG CA . 25069 1 753 . 1 1 66 66 ARG CB C 13 26.853 . . . . . . A 66 ARG CB . 25069 1 754 . 1 1 66 66 ARG CG C 13 27.22 . . . . . . A 66 ARG CG . 25069 1 755 . 1 1 66 66 ARG CD C 13 43.246 . . . . . . A 66 ARG CD . 25069 1 756 . 1 1 66 66 ARG N N 15 114.242 . . . . . . A 66 ARG N . 25069 1 757 . 1 1 67 67 ASP H H 1 8.406 . . . . . . A 67 ASP H . 25069 1 758 . 1 1 67 67 ASP HA H 1 4.602 . . . . . . A 67 ASP HA . 25069 1 759 . 1 1 67 67 ASP HB2 H 1 2.214 . . . . . . A 67 ASP HB2 . 25069 1 760 . 1 1 67 67 ASP HB3 H 1 2.966 . . . . . . A 67 ASP HB3 . 25069 1 761 . 1 1 67 67 ASP C C 13 177.143 . . . . . . A 67 ASP C . 25069 1 762 . 1 1 67 67 ASP CA C 13 53.019 . . . . . . A 67 ASP CA . 25069 1 763 . 1 1 67 67 ASP CB C 13 40.704 . . . . . . A 67 ASP CB . 25069 1 764 . 1 1 67 67 ASP N N 15 118.26 . . . . . . A 67 ASP N . 25069 1 765 . 1 1 68 68 ASN H H 1 10.021 . . . . . . A 68 ASN H . 25069 1 766 . 1 1 68 68 ASN HA H 1 3.979 . . . . . . A 68 ASN HA . 25069 1 767 . 1 1 68 68 ASN HB2 H 1 2.948 . . . . . . A 68 ASN HB2 . 25069 1 768 . 1 1 68 68 ASN HB3 H 1 2.948 . . . . . . A 68 ASN HB3 . 25069 1 769 . 1 1 68 68 ASN HD21 H 1 6.709 . . . . . . A 68 ASN HD21 . 25069 1 770 . 1 1 68 68 ASN HD22 H 1 7.383 . . . . . . A 68 ASN HD22 . 25069 1 771 . 1 1 68 68 ASN C C 13 173.046 . . . . . . A 68 ASN C . 25069 1 772 . 1 1 68 68 ASN CA C 13 55.337 . . . . . . A 68 ASN CA . 25069 1 773 . 1 1 68 68 ASN CB C 13 37.89 . . . . . . A 68 ASN CB . 25069 1 774 . 1 1 68 68 ASN N N 15 115.091 . . . . . . A 68 ASN N . 25069 1 775 . 1 1 68 68 ASN ND2 N 15 112.602 . . . . . . A 68 ASN ND2 . 25069 1 776 . 1 1 69 69 GLU H H 1 7.724 . . . . . . A 69 GLU H . 25069 1 777 . 1 1 69 69 GLU HA H 1 4.698 . . . . . . A 69 GLU HA . 25069 1 778 . 1 1 69 69 GLU HB2 H 1 1.287 . . . . . . A 69 GLU HB2 . 25069 1 779 . 1 1 69 69 GLU HB3 H 1 1.919 . . . . . . A 69 GLU HB3 . 25069 1 780 . 1 1 69 69 GLU HG2 H 1 1.958 . . . . . . A 69 GLU HG2 . 25069 1 781 . 1 1 69 69 GLU HG3 H 1 1.958 . . . . . . A 69 GLU HG3 . 25069 1 782 . 1 1 69 69 GLU C C 13 175.335 . . . . . . A 69 GLU C . 25069 1 783 . 1 1 69 69 GLU CA C 13 54.871 . . . . . . A 69 GLU CA . 25069 1 784 . 1 1 69 69 GLU CB C 13 35.633 . . . . . . A 69 GLU CB . 25069 1 785 . 1 1 69 69 GLU CG C 13 35.877 . . . . . . A 69 GLU CG . 25069 1 786 . 1 1 69 69 GLU N N 15 115.671 . . . . . . A 69 GLU N . 25069 1 787 . 1 1 70 70 VAL H H 1 9.814 . . . . . . A 70 VAL H . 25069 1 788 . 1 1 70 70 VAL HA H 1 5.135 . . . . . . A 70 VAL HA . 25069 1 789 . 1 1 70 70 VAL HB H 1 2.054 . . . . . . A 70 VAL HB . 25069 1 790 . 1 1 70 70 VAL HG11 H 1 0.972 . . . . . . A 70 VAL HG11 . 25069 1 791 . 1 1 70 70 VAL HG12 H 1 0.972 . . . . . . A 70 VAL HG12 . 25069 1 792 . 1 1 70 70 VAL HG13 H 1 0.972 . . . . . . A 70 VAL HG13 . 25069 1 793 . 1 1 70 70 VAL HG21 H 1 0.694 . . . . . . A 70 VAL HG21 . 25069 1 794 . 1 1 70 70 VAL HG22 H 1 0.694 . . . . . . A 70 VAL HG22 . 25069 1 795 . 1 1 70 70 VAL HG23 H 1 0.694 . . . . . . A 70 VAL HG23 . 25069 1 796 . 1 1 70 70 VAL C C 13 175.876 . . . . . . A 70 VAL C . 25069 1 797 . 1 1 70 70 VAL CA C 13 61.142 . . . . . . A 70 VAL CA . 25069 1 798 . 1 1 70 70 VAL CB C 13 33.557 . . . . . . A 70 VAL CB . 25069 1 799 . 1 1 70 70 VAL CG1 C 13 21.758 . . . . . . A 70 VAL CG1 . 25069 1 800 . 1 1 70 70 VAL CG2 C 13 22.57 . . . . . . A 70 VAL CG2 . 25069 1 801 . 1 1 70 70 VAL N N 15 124.606 . . . . . . A 70 VAL N . 25069 1 802 . 1 1 71 71 ASP H H 1 8.896 . . . . . . A 71 ASP H . 25069 1 803 . 1 1 71 71 ASP HA H 1 5.025 . . . . . . A 71 ASP HA . 25069 1 804 . 1 1 71 71 ASP HB2 H 1 2.464 . . . . . . A 71 ASP HB2 . 25069 1 805 . 1 1 71 71 ASP HB3 H 1 3.389 . . . . . . A 71 ASP HB3 . 25069 1 806 . 1 1 71 71 ASP C C 13 175.018 . . . . . . A 71 ASP C . 25069 1 807 . 1 1 71 71 ASP CA C 13 52.561 . . . . . . A 71 ASP CA . 25069 1 808 . 1 1 71 71 ASP CB C 13 41.979 . . . . . . A 71 ASP CB . 25069 1 809 . 1 1 71 71 ASP N N 15 127.612 . . . . . . A 71 ASP N . 25069 1 810 . 1 1 72 72 PHE H H 1 8.993 . . . . . . A 72 PHE H . 25069 1 811 . 1 1 72 72 PHE C C 13 177.39 . . . . . . A 72 PHE C . 25069 1 812 . 1 1 72 72 PHE CA C 13 63.026 . . . . . . A 72 PHE CA . 25069 1 813 . 1 1 72 72 PHE CB C 13 39.228 . . . . . . A 72 PHE CB . 25069 1 814 . 1 1 72 72 PHE N N 15 117.738 . . . . . . A 72 PHE N . 25069 1 815 . 1 1 73 73 GLN H H 1 8.246 . . . . . . A 73 GLN H . 25069 1 816 . 1 1 73 73 GLN HA H 1 3.804 . . . . . . A 73 GLN HA . 25069 1 817 . 1 1 73 73 GLN HB2 H 1 2.091 . . . . . . A 73 GLN HB2 . 25069 1 818 . 1 1 73 73 GLN HB3 H 1 2.091 . . . . . . A 73 GLN HB3 . 25069 1 819 . 1 1 73 73 GLN HG2 H 1 2.308 . . . . . . A 73 GLN HG2 . 25069 1 820 . 1 1 73 73 GLN HG3 H 1 2.308 . . . . . . A 73 GLN HG3 . 25069 1 821 . 1 1 73 73 GLN HE21 H 1 6.664 . . . . . . A 73 GLN HE21 . 25069 1 822 . 1 1 73 73 GLN HE22 H 1 7.333 . . . . . . A 73 GLN HE22 . 25069 1 823 . 1 1 73 73 GLN C C 13 178.583 . . . . . . A 73 GLN C . 25069 1 824 . 1 1 73 73 GLN CA C 13 60.06 . . . . . . A 73 GLN CA . 25069 1 825 . 1 1 73 73 GLN CB C 13 27.828 . . . . . . A 73 GLN CB . 25069 1 826 . 1 1 73 73 GLN CG C 13 33.95 . . . . . . A 73 GLN CG . 25069 1 827 . 1 1 73 73 GLN N N 15 120.479 . . . . . . A 73 GLN N . 25069 1 828 . 1 1 73 73 GLN NE2 N 15 110.405 . . . . . . A 73 GLN NE2 . 25069 1 829 . 1 1 74 74 GLU H H 1 8.782 . . . . . . A 74 GLU H . 25069 1 830 . 1 1 74 74 GLU HA H 1 3.844 . . . . . . A 74 GLU HA . 25069 1 831 . 1 1 74 74 GLU HB2 H 1 2.022 . . . . . . A 74 GLU HB2 . 25069 1 832 . 1 1 74 74 GLU HB3 H 1 2.35 . . . . . . A 74 GLU HB3 . 25069 1 833 . 1 1 74 74 GLU HG2 H 1 2.353 . . . . . . A 74 GLU HG2 . 25069 1 834 . 1 1 74 74 GLU HG3 H 1 2.763 . . . . . . A 74 GLU HG3 . 25069 1 835 . 1 1 74 74 GLU C C 13 180.584 . . . . . . A 74 GLU C . 25069 1 836 . 1 1 74 74 GLU CA C 13 59.013 . . . . . . A 74 GLU CA . 25069 1 837 . 1 1 74 74 GLU CB C 13 30.406 . . . . . . A 74 GLU CB . 25069 1 838 . 1 1 74 74 GLU CG C 13 36.669 . . . . . . A 74 GLU CG . 25069 1 839 . 1 1 74 74 GLU N N 15 120.179 . . . . . . A 74 GLU N . 25069 1 840 . 1 1 75 75 TYR H H 1 8.619 . . . . . . A 75 TYR H . 25069 1 841 . 1 1 75 75 TYR HA H 1 4.012 . . . . . . A 75 TYR HA . 25069 1 842 . 1 1 75 75 TYR HB2 H 1 2.814 . . . . . . A 75 TYR HB2 . 25069 1 843 . 1 1 75 75 TYR HB3 H 1 2.814 . . . . . . A 75 TYR HB3 . 25069 1 844 . 1 1 75 75 TYR C C 13 175.383 . . . . . . A 75 TYR C . 25069 1 845 . 1 1 75 75 TYR CA C 13 60.223 . . . . . . A 75 TYR CA . 25069 1 846 . 1 1 75 75 TYR CB C 13 38.79 . . . . . . A 75 TYR CB . 25069 1 847 . 1 1 75 75 TYR N N 15 122.109 . . . . . . A 75 TYR N . 25069 1 848 . 1 1 76 76 SER H H 1 8.654 . . . . . . A 76 SER H . 25069 1 849 . 1 1 76 76 SER HA H 1 3.326 . . . . . . A 76 SER HA . 25069 1 850 . 1 1 76 76 SER HB2 H 1 3.555 . . . . . . A 76 SER HB2 . 25069 1 851 . 1 1 76 76 SER HB3 H 1 3.555 . . . . . . A 76 SER HB3 . 25069 1 852 . 1 1 76 76 SER C C 13 176.93 . . . . . . A 76 SER C . 25069 1 853 . 1 1 76 76 SER CA C 13 62.377 . . . . . . A 76 SER CA . 25069 1 854 . 1 1 76 76 SER CB C 13 62.573 . . . . . . A 76 SER CB . 25069 1 855 . 1 1 76 76 SER N N 15 117.79 . . . . . . A 76 SER N . 25069 1 856 . 1 1 77 77 VAL H H 1 7.844 . . . . . . A 77 VAL H . 25069 1 857 . 1 1 77 77 VAL HA H 1 3.579 . . . . . . A 77 VAL HA . 25069 1 858 . 1 1 77 77 VAL HB H 1 1.951 . . . . . . A 77 VAL HB . 25069 1 859 . 1 1 77 77 VAL HG11 H 1 0.83 . . . . . . A 77 VAL HG11 . 25069 1 860 . 1 1 77 77 VAL HG12 H 1 0.83 . . . . . . A 77 VAL HG12 . 25069 1 861 . 1 1 77 77 VAL HG13 H 1 0.83 . . . . . . A 77 VAL HG13 . 25069 1 862 . 1 1 77 77 VAL HG21 H 1 0.933 . . . . . . A 77 VAL HG21 . 25069 1 863 . 1 1 77 77 VAL HG22 H 1 0.933 . . . . . . A 77 VAL HG22 . 25069 1 864 . 1 1 77 77 VAL HG23 H 1 0.933 . . . . . . A 77 VAL HG23 . 25069 1 865 . 1 1 77 77 VAL C C 13 178.969 . . . . . . A 77 VAL C . 25069 1 866 . 1 1 77 77 VAL CA C 13 66.096 . . . . . . A 77 VAL CA . 25069 1 867 . 1 1 77 77 VAL CB C 13 31.977 . . . . . . A 77 VAL CB . 25069 1 868 . 1 1 77 77 VAL CG1 C 13 21.004 . . . . . . A 77 VAL CG1 . 25069 1 869 . 1 1 77 77 VAL CG2 C 13 22.525 . . . . . . A 77 VAL CG2 . 25069 1 870 . 1 1 77 77 VAL N N 15 123.033 . . . . . . A 77 VAL N . 25069 1 871 . 1 1 78 78 PHE H H 1 7.439 . . . . . . A 78 PHE H . 25069 1 872 . 1 1 78 78 PHE HA H 1 4.348 . . . . . . A 78 PHE HA . 25069 1 873 . 1 1 78 78 PHE HB2 H 1 3.083 . . . . . . A 78 PHE HB2 . 25069 1 874 . 1 1 78 78 PHE HB3 H 1 3.204 . . . . . . A 78 PHE HB3 . 25069 1 875 . 1 1 78 78 PHE C C 13 177.726 . . . . . . A 78 PHE C . 25069 1 876 . 1 1 78 78 PHE CA C 13 59.329 . . . . . . A 78 PHE CA . 25069 1 877 . 1 1 78 78 PHE CB C 13 38.544 . . . . . . A 78 PHE CB . 25069 1 878 . 1 1 78 78 PHE N N 15 121.473 . . . . . . A 78 PHE N . 25069 1 879 . 1 1 79 79 LEU H H 1 8.298 . . . . . . A 79 LEU H . 25069 1 880 . 1 1 79 79 LEU HA H 1 3.23 . . . . . . A 79 LEU HA . 25069 1 881 . 1 1 79 79 LEU HB2 H 1 0.924 . . . . . . A 79 LEU HB2 . 25069 1 882 . 1 1 79 79 LEU HB3 H 1 1.383 . . . . . . A 79 LEU HB3 . 25069 1 883 . 1 1 79 79 LEU HG H 1 1.012 . . . . . . A 79 LEU HG . 25069 1 884 . 1 1 79 79 LEU HD11 H 1 0.326 . . . . . . A 79 LEU HD11 . 25069 1 885 . 1 1 79 79 LEU HD12 H 1 0.326 . . . . . . A 79 LEU HD12 . 25069 1 886 . 1 1 79 79 LEU HD13 H 1 0.326 . . . . . . A 79 LEU HD13 . 25069 1 887 . 1 1 79 79 LEU HD21 H 1 0.342 . . . . . . A 79 LEU HD21 . 25069 1 888 . 1 1 79 79 LEU HD22 H 1 0.342 . . . . . . A 79 LEU HD22 . 25069 1 889 . 1 1 79 79 LEU HD23 H 1 0.342 . . . . . . A 79 LEU HD23 . 25069 1 890 . 1 1 79 79 LEU C C 13 178.837 . . . . . . A 79 LEU C . 25069 1 891 . 1 1 79 79 LEU CA C 13 57.73 . . . . . . A 79 LEU CA . 25069 1 892 . 1 1 79 79 LEU CB C 13 40.452 . . . . . . A 79 LEU CB . 25069 1 893 . 1 1 79 79 LEU CG C 13 26.21 . . . . . . A 79 LEU CG . 25069 1 894 . 1 1 79 79 LEU CD1 C 13 22.211 . . . . . . A 79 LEU CD1 . 25069 1 895 . 1 1 79 79 LEU CD2 C 13 26.146 . . . . . . A 79 LEU CD2 . 25069 1 896 . 1 1 79 79 LEU N N 15 118.574 . . . . . . A 79 LEU N . 25069 1 897 . 1 1 80 80 SER H H 1 7.728 . . . . . . A 80 SER H . 25069 1 898 . 1 1 80 80 SER HA H 1 3.978 . . . . . . A 80 SER HA . 25069 1 899 . 1 1 80 80 SER HB2 H 1 3.685 . . . . . . A 80 SER HB2 . 25069 1 900 . 1 1 80 80 SER HB3 H 1 3.685 . . . . . . A 80 SER HB3 . 25069 1 901 . 1 1 80 80 SER C C 13 175.796 . . . . . . A 80 SER C . 25069 1 902 . 1 1 80 80 SER CA C 13 62.278 . . . . . . A 80 SER CA . 25069 1 903 . 1 1 80 80 SER CB C 13 63.148 . . . . . . A 80 SER CB . 25069 1 904 . 1 1 80 80 SER N N 15 112.827 . . . . . . A 80 SER N . 25069 1 905 . 1 1 81 81 SER H H 1 7.703 . . . . . . A 81 SER H . 25069 1 906 . 1 1 81 81 SER HA H 1 4.151 . . . . . . A 81 SER HA . 25069 1 907 . 1 1 81 81 SER HB2 H 1 3.965 . . . . . . A 81 SER HB2 . 25069 1 908 . 1 1 81 81 SER HB3 H 1 3.965 . . . . . . A 81 SER HB3 . 25069 1 909 . 1 1 81 81 SER C C 13 176.761 . . . . . . A 81 SER C . 25069 1 910 . 1 1 81 81 SER CA C 13 61.673 . . . . . . A 81 SER CA . 25069 1 911 . 1 1 81 81 SER CB C 13 62.441 . . . . . . A 81 SER CB . 25069 1 912 . 1 1 81 81 SER N N 15 117.584 . . . . . . A 81 SER N . 25069 1 913 . 1 1 82 82 ILE H H 1 7.49 . . . . . . A 82 ILE H . 25069 1 914 . 1 1 82 82 ILE HA H 1 3.648 . . . . . . A 82 ILE HA . 25069 1 915 . 1 1 82 82 ILE HB H 1 1.508 . . . . . . A 82 ILE HB . 25069 1 916 . 1 1 82 82 ILE HG12 H 1 0.342 . . . . . . A 82 ILE HG12 . 25069 1 917 . 1 1 82 82 ILE HG13 H 1 0.662 . . . . . . A 82 ILE HG13 . 25069 1 918 . 1 1 82 82 ILE HG21 H 1 0.379 . . . . . . A 82 ILE HG21 . 25069 1 919 . 1 1 82 82 ILE HG22 H 1 0.379 . . . . . . A 82 ILE HG22 . 25069 1 920 . 1 1 82 82 ILE HG23 H 1 0.379 . . . . . . A 82 ILE HG23 . 25069 1 921 . 1 1 82 82 ILE HD11 H 1 -0.252 . . . . . . A 82 ILE HD11 . 25069 1 922 . 1 1 82 82 ILE HD12 H 1 -0.252 . . . . . . A 82 ILE HD12 . 25069 1 923 . 1 1 82 82 ILE HD13 H 1 -0.252 . . . . . . A 82 ILE HD13 . 25069 1 924 . 1 1 82 82 ILE C C 13 178.743 . . . . . . A 82 ILE C . 25069 1 925 . 1 1 82 82 ILE CA C 13 64.149 . . . . . . A 82 ILE CA . 25069 1 926 . 1 1 82 82 ILE CB C 13 36.725 . . . . . . A 82 ILE CB . 25069 1 927 . 1 1 82 82 ILE CG1 C 13 26.882 . . . . . . A 82 ILE CG1 . 25069 1 928 . 1 1 82 82 ILE CG2 C 13 17.798 . . . . . . A 82 ILE CG2 . 25069 1 929 . 1 1 82 82 ILE CD1 C 13 12.359 . . . . . . A 82 ILE CD1 . 25069 1 930 . 1 1 82 82 ILE N N 15 122.194 . . . . . . A 82 ILE N . 25069 1 931 . 1 1 83 83 ALA H H 1 8.19 . . . . . . A 83 ALA H . 25069 1 932 . 1 1 83 83 ALA HA H 1 3.814 . . . . . . A 83 ALA HA . 25069 1 933 . 1 1 83 83 ALA HB1 H 1 1.433 . . . . . . A 83 ALA HB1 . 25069 1 934 . 1 1 83 83 ALA HB2 H 1 1.433 . . . . . . A 83 ALA HB2 . 25069 1 935 . 1 1 83 83 ALA HB3 H 1 1.433 . . . . . . A 83 ALA HB3 . 25069 1 936 . 1 1 83 83 ALA C C 13 179.019 . . . . . . A 83 ALA C . 25069 1 937 . 1 1 83 83 ALA CA C 13 55.527 . . . . . . A 83 ALA CA . 25069 1 938 . 1 1 83 83 ALA CB C 13 17.649 . . . . . . A 83 ALA CB . 25069 1 939 . 1 1 83 83 ALA N N 15 123.288 . . . . . . A 83 ALA N . 25069 1 940 . 1 1 84 84 MET H H 1 8.06 . . . . . . A 84 MET H . 25069 1 941 . 1 1 84 84 MET HA H 1 4.66 . . . . . . A 84 MET HA . 25069 1 942 . 1 1 84 84 MET HB2 H 1 2.73 . . . . . . A 84 MET HB2 . 25069 1 943 . 1 1 84 84 MET HB3 H 1 2.73 . . . . . . A 84 MET HB3 . 25069 1 944 . 1 1 84 84 MET HG2 H 1 3.126 . . . . . . A 84 MET HG2 . 25069 1 945 . 1 1 84 84 MET HG3 H 1 3.126 . . . . . . A 84 MET HG3 . 25069 1 946 . 1 1 84 84 MET C C 13 174.776 . . . . . . A 84 MET C . 25069 1 947 . 1 1 84 84 MET CA C 13 58.603 . . . . . . A 84 MET CA . 25069 1 948 . 1 1 84 84 MET CB C 13 37.147 . . . . . . A 84 MET CB . 25069 1 949 . 1 1 84 84 MET CG C 13 36.911 . . . . . . A 84 MET CG . 25069 1 950 . 1 1 84 84 MET N N 15 114.549 . . . . . . A 84 MET N . 25069 1 951 . 1 1 85 85 MET H H 1 8.097 . . . . . . A 85 MET H . 25069 1 952 . 1 1 85 85 MET HA H 1 4.079 . . . . . . A 85 MET HA . 25069 1 953 . 1 1 85 85 MET HB2 H 1 2.117 . . . . . . A 85 MET HB2 . 25069 1 954 . 1 1 85 85 MET HB3 H 1 2.117 . . . . . . A 85 MET HB3 . 25069 1 955 . 1 1 85 85 MET HG2 H 1 2.447 . . . . . . A 85 MET HG2 . 25069 1 956 . 1 1 85 85 MET HG3 H 1 2.63 . . . . . . A 85 MET HG3 . 25069 1 957 . 1 1 85 85 MET C C 13 178.153 . . . . . . A 85 MET C . 25069 1 958 . 1 1 85 85 MET CA C 13 58.444 . . . . . . A 85 MET CA . 25069 1 959 . 1 1 85 85 MET CB C 13 32.523 . . . . . . A 85 MET CB . 25069 1 960 . 1 1 85 85 MET CG C 13 31.895 . . . . . . A 85 MET CG . 25069 1 961 . 1 1 85 85 MET N N 15 114.638 . . . . . . A 85 MET N . 25069 1 962 . 1 1 86 86 SER H H 1 8.119 . . . . . . A 86 SER H . 25069 1 963 . 1 1 86 86 SER HA H 1 4.184 . . . . . . A 86 SER HA . 25069 1 964 . 1 1 86 86 SER HB2 H 1 3.836 . . . . . . A 86 SER HB2 . 25069 1 965 . 1 1 86 86 SER HB3 H 1 3.836 . . . . . . A 86 SER HB3 . 25069 1 966 . 1 1 86 86 SER C C 13 176.656 . . . . . . A 86 SER C . 25069 1 967 . 1 1 86 86 SER CA C 13 60.867 . . . . . . A 86 SER CA . 25069 1 968 . 1 1 86 86 SER CB C 13 63.25 . . . . . . A 86 SER CB . 25069 1 969 . 1 1 86 86 SER N N 15 114.719 . . . . . . A 86 SER N . 25069 1 970 . 1 1 87 87 ASN H H 1 8.328 . . . . . . A 87 ASN H . 25069 1 971 . 1 1 87 87 ASN HA H 1 4.578 . . . . . . A 87 ASN HA . 25069 1 972 . 1 1 87 87 ASN HB2 H 1 2.739 . . . . . . A 87 ASN HB2 . 25069 1 973 . 1 1 87 87 ASN HB3 H 1 2.942 . . . . . . A 87 ASN HB3 . 25069 1 974 . 1 1 87 87 ASN HD21 H 1 6.803 . . . . . . A 87 ASN HD21 . 25069 1 975 . 1 1 87 87 ASN HD22 H 1 7.197 . . . . . . A 87 ASN HD22 . 25069 1 976 . 1 1 87 87 ASN C C 13 176.062 . . . . . . A 87 ASN C . 25069 1 977 . 1 1 87 87 ASN CA C 13 56.176 . . . . . . A 87 ASN CA . 25069 1 978 . 1 1 87 87 ASN CB C 13 38.748 . . . . . . A 87 ASN CB . 25069 1 979 . 1 1 87 87 ASN N N 15 119.754 . . . . . . A 87 ASN N . 25069 1 980 . 1 1 87 87 ASN ND2 N 15 113.967 . . . . . . A 87 ASN ND2 . 25069 1 981 . 1 1 88 88 GLU H H 1 7.747 . . . . . . A 88 GLU H . 25069 1 982 . 1 1 88 88 GLU HA H 1 3.739 . . . . . . A 88 GLU HA . 25069 1 983 . 1 1 88 88 GLU HB2 H 1 1.678 . . . . . . A 88 GLU HB2 . 25069 1 984 . 1 1 88 88 GLU HB3 H 1 1.796 . . . . . . A 88 GLU HB3 . 25069 1 985 . 1 1 88 88 GLU HG2 H 1 1.915 . . . . . . A 88 GLU HG2 . 25069 1 986 . 1 1 88 88 GLU HG3 H 1 2.075 . . . . . . A 88 GLU HG3 . 25069 1 987 . 1 1 88 88 GLU C C 13 177.87 . . . . . . A 88 GLU C . 25069 1 988 . 1 1 88 88 GLU CA C 13 58.932 . . . . . . A 88 GLU CA . 25069 1 989 . 1 1 88 88 GLU CB C 13 29.281 . . . . . . A 88 GLU CB . 25069 1 990 . 1 1 88 88 GLU CG C 13 36.114 . . . . . . A 88 GLU CG . 25069 1 991 . 1 1 88 88 GLU N N 15 117.928 . . . . . . A 88 GLU N . 25069 1 992 . 1 1 89 89 PHE H H 1 7.465 . . . . . . A 89 PHE H . 25069 1 993 . 1 1 89 89 PHE HA H 1 4.169 . . . . . . A 89 PHE HA . 25069 1 994 . 1 1 89 89 PHE HB2 H 1 2.913 . . . . . . A 89 PHE HB2 . 25069 1 995 . 1 1 89 89 PHE HB3 H 1 2.913 . . . . . . A 89 PHE HB3 . 25069 1 996 . 1 1 89 89 PHE C C 13 176.404 . . . . . . A 89 PHE C . 25069 1 997 . 1 1 89 89 PHE CA C 13 59.056 . . . . . . A 89 PHE CA . 25069 1 998 . 1 1 89 89 PHE CB C 13 38.842 . . . . . . A 89 PHE CB . 25069 1 999 . 1 1 89 89 PHE N N 15 116.133 . . . . . . A 89 PHE N . 25069 1 1000 . 1 1 90 90 PHE H H 1 7.537 . . . . . . A 90 PHE H . 25069 1 1001 . 1 1 90 90 PHE HA H 1 4.055 . . . . . . A 90 PHE HA . 25069 1 1002 . 1 1 90 90 PHE HB2 H 1 2.787 . . . . . . A 90 PHE HB2 . 25069 1 1003 . 1 1 90 90 PHE HB3 H 1 2.787 . . . . . . A 90 PHE HB3 . 25069 1 1004 . 1 1 90 90 PHE C C 13 176.42 . . . . . . A 90 PHE C . 25069 1 1005 . 1 1 90 90 PHE CA C 13 59.77 . . . . . . A 90 PHE CA . 25069 1 1006 . 1 1 90 90 PHE CB C 13 39.313 . . . . . . A 90 PHE CB . 25069 1 1007 . 1 1 90 90 PHE N N 15 119.13 . . . . . . A 90 PHE N . 25069 1 1008 . 1 1 91 91 GLU H H 1 7.938 . . . . . . A 91 GLU H . 25069 1 1009 . 1 1 91 91 GLU HA H 1 3.74 . . . . . . A 91 GLU HA . 25069 1 1010 . 1 1 91 91 GLU HB2 H 1 1.655 . . . . . . A 91 GLU HB2 . 25069 1 1011 . 1 1 91 91 GLU HB3 H 1 1.655 . . . . . . A 91 GLU HB3 . 25069 1 1012 . 1 1 91 91 GLU HG2 H 1 1.679 . . . . . . A 91 GLU HG2 . 25069 1 1013 . 1 1 91 91 GLU HG3 H 1 2.031 . . . . . . A 91 GLU HG3 . 25069 1 1014 . 1 1 91 91 GLU C C 13 176.491 . . . . . . A 91 GLU C . 25069 1 1015 . 1 1 91 91 GLU CA C 13 57.231 . . . . . . A 91 GLU CA . 25069 1 1016 . 1 1 91 91 GLU CB C 13 30.048 . . . . . . A 91 GLU CB . 25069 1 1017 . 1 1 91 91 GLU CG C 13 36.24 . . . . . . A 91 GLU CG . 25069 1 1018 . 1 1 91 91 GLU N N 15 118.971 . . . . . . A 91 GLU N . 25069 1 1019 . 1 1 92 92 GLY H H 1 7.201 . . . . . . A 92 GLY H . 25069 1 1020 . 1 1 92 92 GLY HA2 H 1 3.555 . . . . . . A 92 GLY HA2 . 25069 1 1021 . 1 1 92 92 GLY HA3 H 1 3.555 . . . . . . A 92 GLY HA3 . 25069 1 1022 . 1 1 92 92 GLY C C 13 173.288 . . . . . . A 92 GLY C . 25069 1 1023 . 1 1 92 92 GLY CA C 13 45.064 . . . . . . A 92 GLY CA . 25069 1 1024 . 1 1 92 92 GLY N N 15 105.912 . . . . . . A 92 GLY N . 25069 1 1025 . 1 1 93 93 PHE H H 1 7.844 . . . . . . A 93 PHE H . 25069 1 1026 . 1 1 93 93 PHE C C 13 174.128 . . . . . . A 93 PHE C . 25069 1 1027 . 1 1 93 93 PHE CA C 13 56.209 . . . . . . A 93 PHE CA . 25069 1 1028 . 1 1 93 93 PHE CB C 13 38.77 . . . . . . A 93 PHE CB . 25069 1 1029 . 1 1 93 93 PHE N N 15 118.877 . . . . . . A 93 PHE N . 25069 1 1030 . 1 1 94 94 PRO HA H 1 4.206 . . . . . . A 94 PRO HA . 25069 1 1031 . 1 1 94 94 PRO HB2 H 1 1.742 . . . . . . A 94 PRO HB2 . 25069 1 1032 . 1 1 94 94 PRO HB3 H 1 2.062 . . . . . . A 94 PRO HB3 . 25069 1 1033 . 1 1 94 94 PRO HG2 H 1 1.777 . . . . . . A 94 PRO HG2 . 25069 1 1034 . 1 1 94 94 PRO HG3 H 1 1.777 . . . . . . A 94 PRO HG3 . 25069 1 1035 . 1 1 94 94 PRO HD2 H 1 3.373 . . . . . . A 94 PRO HD2 . 25069 1 1036 . 1 1 94 94 PRO HD3 H 1 3.479 . . . . . . A 94 PRO HD3 . 25069 1 1037 . 1 1 94 94 PRO C C 13 176.669 . . . . . . A 94 PRO C . 25069 1 1038 . 1 1 94 94 PRO CA C 13 63.701 . . . . . . A 94 PRO CA . 25069 1 1039 . 1 1 94 94 PRO CB C 13 31.836 . . . . . . A 94 PRO CB . 25069 1 1040 . 1 1 94 94 PRO CG C 13 27.227 . . . . . . A 94 PRO CG . 25069 1 1041 . 1 1 94 94 PRO CD C 13 50.522 . . . . . . A 94 PRO CD . 25069 1 1042 . 1 1 95 95 ASP H H 1 8.144 . . . . . . A 95 ASP H . 25069 1 1043 . 1 1 95 95 ASP HA H 1 4.407 . . . . . . A 95 ASP HA . 25069 1 1044 . 1 1 95 95 ASP HB2 H 1 2.52 . . . . . . A 95 ASP HB2 . 25069 1 1045 . 1 1 95 95 ASP HB3 H 1 2.52 . . . . . . A 95 ASP HB3 . 25069 1 1046 . 1 1 95 95 ASP C C 13 176.139 . . . . . . A 95 ASP C . 25069 1 1047 . 1 1 95 95 ASP CA C 13 54.481 . . . . . . A 95 ASP CA . 25069 1 1048 . 1 1 95 95 ASP CB C 13 41.021 . . . . . . A 95 ASP CB . 25069 1 1049 . 1 1 95 95 ASP N N 15 118.031 . . . . . . A 95 ASP N . 25069 1 1050 . 1 1 96 96 LYS H H 1 7.98 . . . . . . A 96 LYS H . 25069 1 1051 . 1 1 96 96 LYS HA H 1 4.137 . . . . . . A 96 LYS HA . 25069 1 1052 . 1 1 96 96 LYS HB2 H 1 1.677 . . . . . . A 96 LYS HB2 . 25069 1 1053 . 1 1 96 96 LYS HB3 H 1 1.677 . . . . . . A 96 LYS HB3 . 25069 1 1054 . 1 1 96 96 LYS HG2 H 1 1.247 . . . . . . A 96 LYS HG2 . 25069 1 1055 . 1 1 96 96 LYS HG3 H 1 1.247 . . . . . . A 96 LYS HG3 . 25069 1 1056 . 1 1 96 96 LYS HD2 H 1 1.517 . . . . . . A 96 LYS HD2 . 25069 1 1057 . 1 1 96 96 LYS HD3 H 1 1.517 . . . . . . A 96 LYS HD3 . 25069 1 1058 . 1 1 96 96 LYS HE2 H 1 2.775 . . . . . . A 96 LYS HE2 . 25069 1 1059 . 1 1 96 96 LYS HE3 H 1 2.775 . . . . . . A 96 LYS HE3 . 25069 1 1060 . 1 1 96 96 LYS C C 13 176.212 . . . . . . A 96 LYS C . 25069 1 1061 . 1 1 96 96 LYS CA C 13 56.179 . . . . . . A 96 LYS CA . 25069 1 1062 . 1 1 96 96 LYS CB C 13 32.783 . . . . . . A 96 LYS CB . 25069 1 1063 . 1 1 96 96 LYS CG C 13 24.654 . . . . . . A 96 LYS CG . 25069 1 1064 . 1 1 96 96 LYS CD C 13 28.951 . . . . . . A 96 LYS CD . 25069 1 1065 . 1 1 96 96 LYS CE C 13 42.163 . . . . . . A 96 LYS CE . 25069 1 1066 . 1 1 96 96 LYS N N 15 119.472 . . . . . . A 96 LYS N . 25069 1 1067 . 1 1 97 97 GLN H H 1 8.007 . . . . . . A 97 GLN H . 25069 1 1068 . 1 1 97 97 GLN HA H 1 4.421 . . . . . . A 97 GLN HA . 25069 1 1069 . 1 1 97 97 GLN HB2 H 1 1.768 . . . . . . A 97 GLN HB2 . 25069 1 1070 . 1 1 97 97 GLN HB3 H 1 1.922 . . . . . . A 97 GLN HB3 . 25069 1 1071 . 1 1 97 97 GLN HG2 H 1 2.208 . . . . . . A 97 GLN HG2 . 25069 1 1072 . 1 1 97 97 GLN HG3 H 1 2.208 . . . . . . A 97 GLN HG3 . 25069 1 1073 . 1 1 97 97 GLN HE21 H 1 6.698 . . . . . . A 97 GLN HE21 . 25069 1 1074 . 1 1 97 97 GLN HE22 H 1 7.422 . . . . . . A 97 GLN HE22 . 25069 1 1075 . 1 1 97 97 GLN C C 13 173.7 . . . . . . A 97 GLN C . 25069 1 1076 . 1 1 97 97 GLN CA C 13 53.803 . . . . . . A 97 GLN CA . 25069 1 1077 . 1 1 97 97 GLN CB C 13 28.732 . . . . . . A 97 GLN CB . 25069 1 1078 . 1 1 97 97 GLN CG C 13 33.391 . . . . . . A 97 GLN CG . 25069 1 1079 . 1 1 97 97 GLN N N 15 120.185 . . . . . . A 97 GLN N . 25069 1 1080 . 1 1 97 97 GLN NE2 N 15 111.715 . . . . . . A 97 GLN NE2 . 25069 1 1081 . 1 1 98 98 PRO HA H 1 4.243 . . . . . . A 98 PRO HA . 25069 1 1082 . 1 1 98 98 PRO HB2 H 1 1.715 . . . . . . A 98 PRO HB2 . 25069 1 1083 . 1 1 98 98 PRO HB3 H 1 2.107 . . . . . . A 98 PRO HB3 . 25069 1 1084 . 1 1 98 98 PRO HG2 H 1 1.85 . . . . . . A 98 PRO HG2 . 25069 1 1085 . 1 1 98 98 PRO HG3 H 1 1.85 . . . . . . A 98 PRO HG3 . 25069 1 1086 . 1 1 98 98 PRO HD2 H 1 3.494 . . . . . . A 98 PRO HD2 . 25069 1 1087 . 1 1 98 98 PRO HD3 H 1 3.606 . . . . . . A 98 PRO HD3 . 25069 1 1088 . 1 1 98 98 PRO C C 13 176.605 . . . . . . A 98 PRO C . 25069 1 1089 . 1 1 98 98 PRO CA C 13 63.014 . . . . . . A 98 PRO CA . 25069 1 1090 . 1 1 98 98 PRO CB C 13 31.937 . . . . . . A 98 PRO CB . 25069 1 1091 . 1 1 98 98 PRO CG C 13 27.336 . . . . . . A 98 PRO CG . 25069 1 1092 . 1 1 98 98 PRO CD C 13 50.529 . . . . . . A 98 PRO CD . 25069 1 1093 . 1 1 99 99 ARG H H 1 8.254 . . . . . . A 99 ARG H . 25069 1 1094 . 1 1 99 99 ARG HA H 1 4.145 . . . . . . A 99 ARG HA . 25069 1 1095 . 1 1 99 99 ARG HB2 H 1 1.593 . . . . . . A 99 ARG HB2 . 25069 1 1096 . 1 1 99 99 ARG HB3 H 1 1.665 . . . . . . A 99 ARG HB3 . 25069 1 1097 . 1 1 99 99 ARG HG2 H 1 1.482 . . . . . . A 99 ARG HG2 . 25069 1 1098 . 1 1 99 99 ARG HG3 H 1 1.482 . . . . . . A 99 ARG HG3 . 25069 1 1099 . 1 1 99 99 ARG HD2 H 1 3.019 . . . . . . A 99 ARG HD2 . 25069 1 1100 . 1 1 99 99 ARG HD3 H 1 3.019 . . . . . . A 99 ARG HD3 . 25069 1 1101 . 1 1 99 99 ARG C C 13 176.053 . . . . . . A 99 ARG C . 25069 1 1102 . 1 1 99 99 ARG CA C 13 55.972 . . . . . . A 99 ARG CA . 25069 1 1103 . 1 1 99 99 ARG CB C 13 30.894 . . . . . . A 99 ARG CB . 25069 1 1104 . 1 1 99 99 ARG CG C 13 27.093 . . . . . . A 99 ARG CG . 25069 1 1105 . 1 1 99 99 ARG CD C 13 43.237 . . . . . . A 99 ARG CD . 25069 1 1106 . 1 1 99 99 ARG N N 15 120.677 . . . . . . A 99 ARG N . 25069 1 1107 . 1 1 100 100 LYS H H 1 8.23 . . . . . . A 100 LYS H . 25069 1 1108 . 1 1 100 100 LYS HA H 1 4.144 . . . . . . A 100 LYS HA . 25069 1 1109 . 1 1 100 100 LYS HB2 H 1 1.629 . . . . . . A 100 LYS HB2 . 25069 1 1110 . 1 1 100 100 LYS HB3 H 1 1.629 . . . . . . A 100 LYS HB3 . 25069 1 1111 . 1 1 100 100 LYS HG2 H 1 1.265 . . . . . . A 100 LYS HG2 . 25069 1 1112 . 1 1 100 100 LYS HG3 H 1 1.265 . . . . . . A 100 LYS HG3 . 25069 1 1113 . 1 1 100 100 LYS HD2 H 1 1.523 . . . . . . A 100 LYS HD2 . 25069 1 1114 . 1 1 100 100 LYS HD3 H 1 1.523 . . . . . . A 100 LYS HD3 . 25069 1 1115 . 1 1 100 100 LYS HE2 H 1 2.83 . . . . . . A 100 LYS HE2 . 25069 1 1116 . 1 1 100 100 LYS HE3 H 1 2.83 . . . . . . A 100 LYS HE3 . 25069 1 1117 . 1 1 100 100 LYS C C 13 175.376 . . . . . . A 100 LYS C . 25069 1 1118 . 1 1 100 100 LYS CA C 13 56.396 . . . . . . A 100 LYS CA . 25069 1 1119 . 1 1 100 100 LYS CB C 13 33.289 . . . . . . A 100 LYS CB . 25069 1 1120 . 1 1 100 100 LYS CG C 13 24.542 . . . . . . A 100 LYS CG . 25069 1 1121 . 1 1 100 100 LYS CD C 13 29.048 . . . . . . A 100 LYS CD . 25069 1 1122 . 1 1 100 100 LYS CE C 13 42.163 . . . . . . A 100 LYS CE . 25069 1 1123 . 1 1 100 100 LYS N N 15 122.775 . . . . . . A 100 LYS N . 25069 1 1124 . 1 1 101 101 LYS H H 1 7.856 . . . . . . A 101 LYS H . 25069 1 1125 . 1 1 101 101 LYS HA H 1 3.983 . . . . . . A 101 LYS HA . 25069 1 1126 . 1 1 101 101 LYS HB2 H 1 1.645 . . . . . . A 101 LYS HB2 . 25069 1 1127 . 1 1 101 101 LYS HB3 H 1 1.645 . . . . . . A 101 LYS HB3 . 25069 1 1128 . 1 1 101 101 LYS HG2 H 1 1.239 . . . . . . A 101 LYS HG2 . 25069 1 1129 . 1 1 101 101 LYS HG3 H 1 1.239 . . . . . . A 101 LYS HG3 . 25069 1 1130 . 1 1 101 101 LYS HD2 H 1 1.528 . . . . . . A 101 LYS HD2 . 25069 1 1131 . 1 1 101 101 LYS HD3 H 1 1.528 . . . . . . A 101 LYS HD3 . 25069 1 1132 . 1 1 101 101 LYS HE2 H 1 2.837 . . . . . . A 101 LYS HE2 . 25069 1 1133 . 1 1 101 101 LYS HE3 H 1 2.837 . . . . . . A 101 LYS HE3 . 25069 1 1134 . 1 1 101 101 LYS C C 13 181.075 . . . . . . A 101 LYS C . 25069 1 1135 . 1 1 101 101 LYS CA C 13 57.8 . . . . . . A 101 LYS CA . 25069 1 1136 . 1 1 101 101 LYS CB C 13 33.647 . . . . . . A 101 LYS CB . 25069 1 1137 . 1 1 101 101 LYS N N 15 127.398 . . . . . . A 101 LYS N . 25069 1 stop_ save_