data_30471 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30471 _Entry.Title ; Human Titin ZIg10 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-05-31 _Entry.Accession_date 2018-05-31 _Entry.Last_release_date 2018-07-24 _Entry.Original_release_date 2018-07-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.1.32 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30471 stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 N. Wright N. T. . . 30471 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'STRUCTURAL PROTEIN' . 30471 Titin . 30471 cytoskeleton . 30471 sarcomere . 30471 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30471 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 299 30471 '15N chemical shifts' 94 30471 '1H chemical shifts' 623 30471 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 . . 2019-08-16 . original BMRB . 30471 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6DL4 . 30471 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30471 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure and function of human titin ZIg10 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 A. Letourneau A. G. . . 30471 1 2 N. Wright N. T. . . 30471 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30471 _Assembly.ID 1 _Assembly.Name 'Titin (E.C.2.7.11.1)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30471 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30471 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Titin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; RMAHEGALTGVTTDQKEKQK PDIVLYPEPVRVLEGETARF RCRVTGYPQPKVNWYLNGQL IRKSKRFRVRYDGIHYLDIV DCKSYDTGEVKVTAENPEGV IEHKVKLEIQQLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 2.7.11.1 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13965.898 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Connectin na 30471 1 'Rhabdomyosarcoma antigen MU-RMS-40.14' na 30471 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 . ARG . 30471 1 2 . MET . 30471 1 3 . ALA . 30471 1 4 . HIS . 30471 1 5 . GLU . 30471 1 6 . GLY . 30471 1 7 . ALA . 30471 1 8 . LEU . 30471 1 9 . THR . 30471 1 10 . GLY . 30471 1 11 . VAL . 30471 1 12 . THR . 30471 1 13 . THR . 30471 1 14 . ASP . 30471 1 15 . GLN . 30471 1 16 . LYS . 30471 1 17 . GLU . 30471 1 18 . LYS . 30471 1 19 . GLN . 30471 1 20 . LYS . 30471 1 21 . PRO . 30471 1 22 . ASP . 30471 1 23 . ILE . 30471 1 24 . VAL . 30471 1 25 . LEU . 30471 1 26 . TYR . 30471 1 27 . PRO . 30471 1 28 . GLU . 30471 1 29 . PRO . 30471 1 30 . VAL . 30471 1 31 . ARG . 30471 1 32 . VAL . 30471 1 33 . LEU . 30471 1 34 . GLU . 30471 1 35 . GLY . 30471 1 36 . GLU . 30471 1 37 . THR . 30471 1 38 . ALA . 30471 1 39 . ARG . 30471 1 40 . PHE . 30471 1 41 . ARG . 30471 1 42 . CYS . 30471 1 43 . ARG . 30471 1 44 . VAL . 30471 1 45 . THR . 30471 1 46 . GLY . 30471 1 47 . TYR . 30471 1 48 . PRO . 30471 1 49 . GLN . 30471 1 50 . PRO . 30471 1 51 . LYS . 30471 1 52 . VAL . 30471 1 53 . ASN . 30471 1 54 . TRP . 30471 1 55 . TYR . 30471 1 56 . LEU . 30471 1 57 . ASN . 30471 1 58 . GLY . 30471 1 59 . GLN . 30471 1 60 . LEU . 30471 1 61 . ILE . 30471 1 62 . ARG . 30471 1 63 . LYS . 30471 1 64 . SER . 30471 1 65 . LYS . 30471 1 66 . ARG . 30471 1 67 . PHE . 30471 1 68 . ARG . 30471 1 69 . VAL . 30471 1 70 . ARG . 30471 1 71 . TYR . 30471 1 72 . ASP . 30471 1 73 . GLY . 30471 1 74 . ILE . 30471 1 75 . HIS . 30471 1 76 . TYR . 30471 1 77 . LEU . 30471 1 78 . ASP . 30471 1 79 . ILE . 30471 1 80 . VAL . 30471 1 81 . ASP . 30471 1 82 . CYS . 30471 1 83 . LYS . 30471 1 84 . SER . 30471 1 85 . TYR . 30471 1 86 . ASP . 30471 1 87 . THR . 30471 1 88 . GLY . 30471 1 89 . GLU . 30471 1 90 . VAL . 30471 1 91 . LYS . 30471 1 92 . VAL . 30471 1 93 . THR . 30471 1 94 . ALA . 30471 1 95 . GLU . 30471 1 96 . ASN . 30471 1 97 . PRO . 30471 1 98 . GLU . 30471 1 99 . GLY . 30471 1 100 . VAL . 30471 1 101 . ILE . 30471 1 102 . GLU . 30471 1 103 . HIS . 30471 1 104 . LYS . 30471 1 105 . VAL . 30471 1 106 . LYS . 30471 1 107 . LEU . 30471 1 108 . GLU . 30471 1 109 . ILE . 30471 1 110 . GLN . 30471 1 111 . GLN . 30471 1 112 . LEU . 30471 1 113 . GLU . 30471 1 114 . HIS . 30471 1 115 . HIS . 30471 1 116 . HIS . 30471 1 117 . HIS . 30471 1 118 . HIS . 30471 1 119 . HIS . 30471 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 . ARG 1 1 30471 1 . MET 2 2 30471 1 . ALA 3 3 30471 1 . HIS 4 4 30471 1 . GLU 5 5 30471 1 . GLY 6 6 30471 1 . ALA 7 7 30471 1 . LEU 8 8 30471 1 . THR 9 9 30471 1 . GLY 10 10 30471 1 . VAL 11 11 30471 1 . THR 12 12 30471 1 . THR 13 13 30471 1 . ASP 14 14 30471 1 . GLN 15 15 30471 1 . LYS 16 16 30471 1 . GLU 17 17 30471 1 . LYS 18 18 30471 1 . GLN 19 19 30471 1 . LYS 20 20 30471 1 . PRO 21 21 30471 1 . ASP 22 22 30471 1 . ILE 23 23 30471 1 . VAL 24 24 30471 1 . LEU 25 25 30471 1 . TYR 26 26 30471 1 . PRO 27 27 30471 1 . GLU 28 28 30471 1 . PRO 29 29 30471 1 . VAL 30 30 30471 1 . ARG 31 31 30471 1 . VAL 32 32 30471 1 . LEU 33 33 30471 1 . GLU 34 34 30471 1 . GLY 35 35 30471 1 . GLU 36 36 30471 1 . THR 37 37 30471 1 . ALA 38 38 30471 1 . ARG 39 39 30471 1 . PHE 40 40 30471 1 . ARG 41 41 30471 1 . CYS 42 42 30471 1 . ARG 43 43 30471 1 . VAL 44 44 30471 1 . THR 45 45 30471 1 . GLY 46 46 30471 1 . TYR 47 47 30471 1 . PRO 48 48 30471 1 . GLN 49 49 30471 1 . PRO 50 50 30471 1 . LYS 51 51 30471 1 . VAL 52 52 30471 1 . ASN 53 53 30471 1 . TRP 54 54 30471 1 . TYR 55 55 30471 1 . LEU 56 56 30471 1 . ASN 57 57 30471 1 . GLY 58 58 30471 1 . GLN 59 59 30471 1 . LEU 60 60 30471 1 . ILE 61 61 30471 1 . ARG 62 62 30471 1 . LYS 63 63 30471 1 . SER 64 64 30471 1 . LYS 65 65 30471 1 . ARG 66 66 30471 1 . PHE 67 67 30471 1 . ARG 68 68 30471 1 . VAL 69 69 30471 1 . ARG 70 70 30471 1 . TYR 71 71 30471 1 . ASP 72 72 30471 1 . GLY 73 73 30471 1 . ILE 74 74 30471 1 . HIS 75 75 30471 1 . TYR 76 76 30471 1 . LEU 77 77 30471 1 . ASP 78 78 30471 1 . ILE 79 79 30471 1 . VAL 80 80 30471 1 . ASP 81 81 30471 1 . CYS 82 82 30471 1 . LYS 83 83 30471 1 . SER 84 84 30471 1 . TYR 85 85 30471 1 . ASP 86 86 30471 1 . THR 87 87 30471 1 . GLY 88 88 30471 1 . GLU 89 89 30471 1 . VAL 90 90 30471 1 . LYS 91 91 30471 1 . VAL 92 92 30471 1 . THR 93 93 30471 1 . ALA 94 94 30471 1 . GLU 95 95 30471 1 . ASN 96 96 30471 1 . PRO 97 97 30471 1 . GLU 98 98 30471 1 . GLY 99 99 30471 1 . VAL 100 100 30471 1 . ILE 101 101 30471 1 . GLU 102 102 30471 1 . HIS 103 103 30471 1 . LYS 104 104 30471 1 . VAL 105 105 30471 1 . LYS 106 106 30471 1 . LEU 107 107 30471 1 . GLU 108 108 30471 1 . ILE 109 109 30471 1 . GLN 110 110 30471 1 . GLN 111 111 30471 1 . LEU 112 112 30471 1 . GLU 113 113 30471 1 . HIS 114 114 30471 1 . HIS 115 115 30471 1 . HIS 116 116 30471 1 . HIS 117 117 30471 1 . HIS 118 118 30471 1 . HIS 119 119 30471 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 30471 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapienss . . . . . . . . . . . TTN . 30471 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 30471 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 30471 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30471 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM TRIS, 50 mM sodium chloride, 1 mM [U-99% 13C; U-99% 15N] Human Titin ZIg10, 90% H2O/10% D2O' _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 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 30471 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 30471 1 3 'Human Titin ZIg10' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 30471 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 30471 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 30471 1 pH 7.5 . pH 30471 1 pressure 1 . atm 30471 1 temperature 298 . K 30471 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30471 _Software.ID 1 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30471 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 30471 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30471 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30471 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 30471 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30471 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30471 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 30471 3 . 'peak picking' 30471 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30471 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30471 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 600 . . . 30471 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 30471 _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 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30471 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30471 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30471 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30471 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30471 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30471 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30471 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30471 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30471 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30471 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30471 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30471 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30471 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30471 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30471 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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' . . . 30471 1 2 '3D CBCA(CO)NH' . . . 30471 1 3 '3D HNCACB' . . . 30471 1 4 '3D C(CO)NH' . . . 30471 1 5 '3D H(CCO)NH' . . . 30471 1 6 '3D HN(CA)CO' . . . 30471 1 7 '3D HNCO' . . . 30471 1 8 '3D 1H-15N TOCSY' . . . 30471 1 9 '3D 1H-15N NOESY' . . . 30471 1 10 '3D 1H-13C NOESY' . . . 30471 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ARG H H 1 8.83 0.02 . 1 . . . . A 1 ARG H1 . 30471 1 2 . 1 1 1 1 ARG C C 13 171.4 0.2 . 1 . . . . A 1 ARG C . 30471 1 3 . 1 1 1 1 ARG CA C 13 55.4 0.2 . 1 . . . . A 1 ARG CA . 30471 1 4 . 1 1 1 1 ARG CB C 13 30.7 0.2 . 1 . . . . A 1 ARG CB . 30471 1 5 . 1 1 1 1 ARG N N 15 126.6 0.1 . 1 . . . . A 1 ARG N . 30471 1 6 . 1 1 7 7 ALA H H 1 7.82 0.02 . 1 . . . . A 7 ALA H . 30471 1 7 . 1 1 7 7 ALA C C 13 176.7 0.2 . 1 . . . . A 7 ALA C . 30471 1 8 . 1 1 7 7 ALA CA C 13 53.0 0.2 . 1 . . . . A 7 ALA CA . 30471 1 9 . 1 1 7 7 ALA CB C 13 19.8 0.2 . 1 . . . . A 7 ALA CB . 30471 1 10 . 1 1 7 7 ALA N N 15 129.5 0.1 . 1 . . . . A 7 ALA N . 30471 1 11 . 1 1 8 8 LEU H H 1 7.86 0.02 . 1 . . . . A 8 LEU H . 30471 1 12 . 1 1 8 8 LEU CA C 13 56.0 0.2 . 1 . . . . A 8 LEU CA . 30471 1 13 . 1 1 8 8 LEU CB C 13 43.0 0.2 . 1 . . . . A 8 LEU CB . 30471 1 14 . 1 1 8 8 LEU N N 15 127.3 0.1 . 1 . . . . A 8 LEU N . 30471 1 15 . 1 1 9 9 THR H H 1 7.66 0.02 . 1 . . . . A 9 THR H . 30471 1 16 . 1 1 9 9 THR CA C 13 63.1 0.2 . 1 . . . . A 9 THR CA . 30471 1 17 . 1 1 9 9 THR CB C 13 70.8 0.2 . 1 . . . . A 9 THR CB . 30471 1 18 . 1 1 9 9 THR N N 15 121.9 0.1 . 1 . . . . A 9 THR N . 30471 1 19 . 1 1 11 11 VAL H H 1 7.97 0.02 . 1 . . . . A 11 VAL H . 30471 1 20 . 1 1 11 11 VAL C C 13 173.9 0.2 . 1 . . . . A 11 VAL C . 30471 1 21 . 1 1 11 11 VAL CA C 13 62.3 0.2 . 1 . . . . A 11 VAL CA . 30471 1 22 . 1 1 11 11 VAL CB C 13 32.8 0.2 . 1 . . . . A 11 VAL CB . 30471 1 23 . 1 1 11 11 VAL N N 15 119.3 0.1 . 1 . . . . A 11 VAL N . 30471 1 24 . 1 1 12 12 THR H H 1 7.84 0.02 . 1 . . . . A 12 THR H . 30471 1 25 . 1 1 12 12 THR CA C 13 63.4 0.2 . 1 . . . . A 12 THR CA . 30471 1 26 . 1 1 12 12 THR CB C 13 70.6 0.2 . 1 . . . . A 12 THR CB . 30471 1 27 . 1 1 12 12 THR N N 15 121.9 0.1 . 1 . . . . A 12 THR N . 30471 1 28 . 1 1 14 14 ASP H H 1 8.39 0.02 . 1 . . . . A 14 ASP H . 30471 1 29 . 1 1 14 14 ASP N N 15 121.5 0.1 . 1 . . . . A 14 ASP N . 30471 1 30 . 1 1 15 15 GLN CA C 13 56.3 0.2 . 1 . . . . A 15 GLN CA . 30471 1 31 . 1 1 15 15 GLN CB C 13 30.8 0.2 . 1 . . . . A 15 GLN CB . 30471 1 32 . 1 1 16 16 LYS H H 1 7.90 0.02 . 1 . . . . A 16 LYS H . 30471 1 33 . 1 1 16 16 LYS C C 13 175.8 0.2 . 1 . . . . A 16 LYS C . 30471 1 34 . 1 1 16 16 LYS CA C 13 56.0 0.2 . 1 . . . . A 16 LYS CA . 30471 1 35 . 1 1 16 16 LYS CB C 13 32.7 0.2 . 1 . . . . A 16 LYS CB . 30471 1 36 . 1 1 16 16 LYS N N 15 113.6 0.1 . 1 . . . . A 16 LYS N . 30471 1 37 . 1 1 17 17 GLU H H 1 7.90 0.02 . 1 . . . . A 17 GLU H . 30471 1 38 . 1 1 17 17 GLU C C 13 176.1 0.2 . 1 . . . . A 17 GLU C . 30471 1 39 . 1 1 17 17 GLU CA C 13 56.2 0.2 . 1 . . . . A 17 GLU CA . 30471 1 40 . 1 1 17 17 GLU CB C 13 30.4 0.2 . 1 . . . . A 17 GLU CB . 30471 1 41 . 1 1 17 17 GLU N N 15 121.6 0.1 . 1 . . . . A 17 GLU N . 30471 1 42 . 1 1 18 18 LYS H H 1 8.31 0.02 . 1 . . . . A 18 LYS H . 30471 1 43 . 1 1 18 18 LYS C C 13 176.6 0.2 . 1 . . . . A 18 LYS C . 30471 1 44 . 1 1 18 18 LYS CA C 13 56.8 0.2 . 1 . . . . A 18 LYS CA . 30471 1 45 . 1 1 18 18 LYS CB C 13 33.1 0.2 . 1 . . . . A 18 LYS CB . 30471 1 46 . 1 1 18 18 LYS N N 15 121.9 0.1 . 1 . . . . A 18 LYS N . 30471 1 47 . 1 1 19 19 GLN H H 1 9.48 0.02 . 1 . . . . A 19 GLN H . 30471 1 48 . 1 1 19 19 GLN HA H 1 4.74 0.02 . 1 . . . . A 19 GLN HA . 30471 1 49 . 1 1 19 19 GLN HB2 H 1 1.96 0.02 . 2 . . . . A 19 GLN HB2 . 30471 1 50 . 1 1 19 19 GLN HB3 H 1 1.96 0.02 . 2 . . . . A 19 GLN HB3 . 30471 1 51 . 1 1 19 19 GLN HG2 H 1 2.43 0.02 . 2 . . . . A 19 GLN HG2 . 30471 1 52 . 1 1 19 19 GLN HG3 H 1 2.43 0.02 . 2 . . . . A 19 GLN HG3 . 30471 1 53 . 1 1 19 19 GLN C C 13 175.4 0.2 . 1 . . . . A 19 GLN C . 30471 1 54 . 1 1 19 19 GLN CA C 13 55.4 0.2 . 1 . . . . A 19 GLN CA . 30471 1 55 . 1 1 19 19 GLN CB C 13 33.0 0.2 . 1 . . . . A 19 GLN CB . 30471 1 56 . 1 1 19 19 GLN N N 15 121.8 0.1 . 1 . . . . A 19 GLN N . 30471 1 57 . 1 1 20 20 LYS H H 1 8.54 0.02 . 1 . . . . A 20 LYS H . 30471 1 58 . 1 1 20 20 LYS N N 15 117.4 0.1 . 1 . . . . A 20 LYS N . 30471 1 59 . 1 1 21 21 PRO HA H 1 5.01 0.02 . 1 . . . . A 21 PRO HA . 30471 1 60 . 1 1 21 21 PRO HB2 H 1 1.62 0.02 . 2 . . . . A 21 PRO HB2 . 30471 1 61 . 1 1 21 21 PRO HB3 H 1 1.62 0.02 . 2 . . . . A 21 PRO HB3 . 30471 1 62 . 1 1 21 21 PRO HG2 H 1 1.44 0.02 . 2 . . . . A 21 PRO HG2 . 30471 1 63 . 1 1 21 21 PRO HG3 H 1 1.44 0.02 . 2 . . . . A 21 PRO HG3 . 30471 1 64 . 1 1 21 21 PRO HD2 H 1 3.85 0.02 . 2 . . . . A 21 PRO HD2 . 30471 1 65 . 1 1 21 21 PRO HD3 H 1 3.85 0.02 . 2 . . . . A 21 PRO HD3 . 30471 1 66 . 1 1 21 21 PRO C C 13 174.6 0.2 . 1 . . . . A 21 PRO C . 30471 1 67 . 1 1 21 21 PRO CA C 13 62.3 0.2 . 1 . . . . A 21 PRO CA . 30471 1 68 . 1 1 21 21 PRO CB C 13 32.6 0.2 . 1 . . . . A 21 PRO CB . 30471 1 69 . 1 1 22 22 ASP H H 1 8.08 0.02 . 1 . . . . A 22 ASP H . 30471 1 70 . 1 1 22 22 ASP HA H 1 4.77 0.02 . 1 . . . . A 22 ASP HA . 30471 1 71 . 1 1 22 22 ASP HB2 H 1 2.33 0.02 . 2 . . . . A 22 ASP HB2 . 30471 1 72 . 1 1 22 22 ASP HB3 H 1 2.35 0.02 . 2 . . . . A 22 ASP HB3 . 30471 1 73 . 1 1 22 22 ASP C C 13 174.9 0.2 . 1 . . . . A 22 ASP C . 30471 1 74 . 1 1 22 22 ASP CA C 13 52.5 0.2 . 1 . . . . A 22 ASP CA . 30471 1 75 . 1 1 22 22 ASP CB C 13 44.2 0.2 . 1 . . . . A 22 ASP CB . 30471 1 76 . 1 1 22 22 ASP N N 15 119.3 0.1 . 1 . . . . A 22 ASP N . 30471 1 77 . 1 1 23 23 ILE H H 1 7.94 0.02 . 1 . . . . A 23 ILE H . 30471 1 78 . 1 1 23 23 ILE HA H 1 4.00 0.02 . 1 . . . . A 23 ILE HA . 30471 1 79 . 1 1 23 23 ILE HB H 1 1.65 0.02 . 1 . . . . A 23 ILE HB . 30471 1 80 . 1 1 23 23 ILE HG12 H 1 1.05 0.02 . 2 . . . . A 23 ILE HG12 . 30471 1 81 . 1 1 23 23 ILE HG13 H 1 1.05 0.02 . 2 . . . . A 23 ILE HG13 . 30471 1 82 . 1 1 23 23 ILE HG21 H 1 0.3 0.02 . 1 . . . . A 23 ILE HG21 . 30471 1 83 . 1 1 23 23 ILE HG22 H 1 0.3 0.02 . 1 . . . . A 23 ILE HG22 . 30471 1 84 . 1 1 23 23 ILE HG23 H 1 0.3 0.02 . 1 . . . . A 23 ILE HG23 . 30471 1 85 . 1 1 23 23 ILE HD11 H 1 0.3 0.02 . 1 . . . . A 23 ILE HD11 . 30471 1 86 . 1 1 23 23 ILE HD12 H 1 0.3 0.02 . 1 . . . . A 23 ILE HD12 . 30471 1 87 . 1 1 23 23 ILE HD13 H 1 0.3 0.02 . 1 . . . . A 23 ILE HD13 . 30471 1 88 . 1 1 23 23 ILE C C 13 173.9 0.2 . 1 . . . . A 23 ILE C . 30471 1 89 . 1 1 23 23 ILE CA C 13 61.6 0.2 . 1 . . . . A 23 ILE CA . 30471 1 90 . 1 1 23 23 ILE CB C 13 38.7 0.2 . 1 . . . . A 23 ILE CB . 30471 1 91 . 1 1 23 23 ILE N N 15 122.8 0.1 . 1 . . . . A 23 ILE N . 30471 1 92 . 1 1 24 24 VAL H H 1 7.94 0.02 . 1 . . . . A 24 VAL H . 30471 1 93 . 1 1 24 24 VAL HA H 1 4.35 0.02 . 1 . . . . A 24 VAL HA . 30471 1 94 . 1 1 24 24 VAL HB H 1 2.04 0.02 . 1 . . . . A 24 VAL HB . 30471 1 95 . 1 1 24 24 VAL HG11 H 1 0.79 0.02 . 2 . . . . A 24 VAL HG11 . 30471 1 96 . 1 1 24 24 VAL HG12 H 1 0.79 0.02 . 2 . . . . A 24 VAL HG12 . 30471 1 97 . 1 1 24 24 VAL HG13 H 1 0.79 0.02 . 2 . . . . A 24 VAL HG13 . 30471 1 98 . 1 1 24 24 VAL HG21 H 1 0.63 0.02 . 2 . . . . A 24 VAL HG21 . 30471 1 99 . 1 1 24 24 VAL HG22 H 1 0.63 0.02 . 2 . . . . A 24 VAL HG22 . 30471 1 100 . 1 1 24 24 VAL HG23 H 1 0.63 0.02 . 2 . . . . A 24 VAL HG23 . 30471 1 101 . 1 1 24 24 VAL C C 13 175.7 0.2 . 1 . . . . A 24 VAL C . 30471 1 102 . 1 1 24 24 VAL CA C 13 61.3 0.2 . 1 . . . . A 24 VAL CA . 30471 1 103 . 1 1 24 24 VAL CB C 13 32.7 0.2 . 1 . . . . A 24 VAL CB . 30471 1 104 . 1 1 24 24 VAL N N 15 118.1 0.1 . 1 . . . . A 24 VAL N . 30471 1 105 . 1 1 25 25 LEU H H 1 7.24 0.02 . 1 . . . . A 25 LEU H . 30471 1 106 . 1 1 25 25 LEU HA H 1 4.73 0.02 . 1 . . . . A 25 LEU HA . 30471 1 107 . 1 1 25 25 LEU HB2 H 1 1.64 0.02 . 2 . . . . A 25 LEU HB2 . 30471 1 108 . 1 1 25 25 LEU HB3 H 1 1.68 0.02 . 2 . . . . A 25 LEU HB3 . 30471 1 109 . 1 1 25 25 LEU HG H 1 1.41 0.02 . 1 . . . . A 25 LEU HG . 30471 1 110 . 1 1 25 25 LEU HD11 H 1 0.64 0.02 . 2 . . . . A 25 LEU HD11 . 30471 1 111 . 1 1 25 25 LEU HD12 H 1 0.64 0.02 . 2 . . . . A 25 LEU HD12 . 30471 1 112 . 1 1 25 25 LEU HD13 H 1 0.64 0.02 . 2 . . . . A 25 LEU HD13 . 30471 1 113 . 1 1 25 25 LEU HD21 H 1 0.77 0.02 . 2 . . . . A 25 LEU HD21 . 30471 1 114 . 1 1 25 25 LEU HD22 H 1 0.77 0.02 . 2 . . . . A 25 LEU HD22 . 30471 1 115 . 1 1 25 25 LEU HD23 H 1 0.77 0.02 . 2 . . . . A 25 LEU HD23 . 30471 1 116 . 1 1 25 25 LEU C C 13 175.0 0.2 . 1 . . . . A 25 LEU C . 30471 1 117 . 1 1 25 25 LEU CA C 13 55.2 0.2 . 1 . . . . A 25 LEU CA . 30471 1 118 . 1 1 25 25 LEU CB C 13 45.0 0.2 . 1 . . . . A 25 LEU CB . 30471 1 119 . 1 1 25 25 LEU N N 15 124.4 0.1 . 1 . . . . A 25 LEU N . 30471 1 120 . 1 1 26 26 TYR H H 1 9.02 0.02 . 1 . . . . A 26 TYR H . 30471 1 121 . 1 1 26 26 TYR HA H 1 4.25 0.02 . 1 . . . . A 26 TYR HA . 30471 1 122 . 1 1 26 26 TYR HB2 H 1 2.71 0.02 . 2 . . . . A 26 TYR HB2 . 30471 1 123 . 1 1 26 26 TYR HB3 H 1 2.71 0.02 . 2 . . . . A 26 TYR HB3 . 30471 1 124 . 1 1 26 26 TYR HD1 H 1 6.30 0.02 . 3 . . . . A 26 TYR HD1 . 30471 1 125 . 1 1 26 26 TYR HD2 H 1 6.30 0.02 . 3 . . . . A 26 TYR HD2 . 30471 1 126 . 1 1 26 26 TYR HE1 H 1 6.59 0.02 . 3 . . . . A 26 TYR HE1 . 30471 1 127 . 1 1 26 26 TYR HE2 H 1 6.59 0.02 . 3 . . . . A 26 TYR HE2 . 30471 1 128 . 1 1 26 26 TYR C C 13 174.3 0.2 . 1 . . . . A 26 TYR C . 30471 1 129 . 1 1 26 26 TYR CA C 13 56.9 0.2 . 1 . . . . A 26 TYR CA . 30471 1 130 . 1 1 26 26 TYR CB C 13 38.0 0.2 . 1 . . . . A 26 TYR CB . 30471 1 131 . 1 1 26 26 TYR N N 15 125.8 0.1 . 1 . . . . A 26 TYR N . 30471 1 132 . 1 1 29 29 PRO HA H 1 4.89 0.02 . 1 . . . . A 29 PRO HA . 30471 1 133 . 1 1 29 29 PRO HB2 H 1 2.16 0.02 . 2 . . . . A 29 PRO HB2 . 30471 1 134 . 1 1 29 29 PRO HB3 H 1 2.14 0.02 . 2 . . . . A 29 PRO HB3 . 30471 1 135 . 1 1 29 29 PRO HD2 H 1 3.85 0.02 . 2 . . . . A 29 PRO HD2 . 30471 1 136 . 1 1 29 29 PRO HD3 H 1 3.85 0.02 . 2 . . . . A 29 PRO HD3 . 30471 1 137 . 1 1 29 29 PRO C C 13 176.3 0.2 . 1 . . . . A 29 PRO C . 30471 1 138 . 1 1 29 29 PRO CA C 13 63.2 0.2 . 1 . . . . A 29 PRO CA . 30471 1 139 . 1 1 29 29 PRO CB C 13 33.2 0.2 . 1 . . . . A 29 PRO CB . 30471 1 140 . 1 1 30 30 VAL H H 1 8.17 0.02 . 1 . . . . A 30 VAL H . 30471 1 141 . 1 1 30 30 VAL HA H 1 4.42 0.02 . 1 . . . . A 30 VAL HA . 30471 1 142 . 1 1 30 30 VAL HB H 1 1.76 0.02 . 1 . . . . A 30 VAL HB . 30471 1 143 . 1 1 30 30 VAL HG11 H 1 0.86 0.02 . 2 . . . . A 30 VAL HG11 . 30471 1 144 . 1 1 30 30 VAL HG12 H 1 0.86 0.02 . 2 . . . . A 30 VAL HG12 . 30471 1 145 . 1 1 30 30 VAL HG13 H 1 0.86 0.02 . 2 . . . . A 30 VAL HG13 . 30471 1 146 . 1 1 30 30 VAL HG21 H 1 0.56 0.02 . 2 . . . . A 30 VAL HG21 . 30471 1 147 . 1 1 30 30 VAL HG22 H 1 0.56 0.02 . 2 . . . . A 30 VAL HG22 . 30471 1 148 . 1 1 30 30 VAL HG23 H 1 0.56 0.02 . 2 . . . . A 30 VAL HG23 . 30471 1 149 . 1 1 30 30 VAL C C 13 174.1 0.2 . 1 . . . . A 30 VAL C . 30471 1 150 . 1 1 30 30 VAL CA C 13 61.4 0.2 . 1 . . . . A 30 VAL CA . 30471 1 151 . 1 1 30 30 VAL CB C 13 37.1 0.2 . 1 . . . . A 30 VAL CB . 30471 1 152 . 1 1 30 30 VAL N N 15 118.3 0.1 . 1 . . . . A 30 VAL N . 30471 1 153 . 1 1 31 31 ARG H H 1 8.40 0.02 . 1 . . . . A 31 ARG H . 30471 1 154 . 1 1 31 31 ARG HA H 1 5.62 0.02 . 1 . . . . A 31 ARG HA . 30471 1 155 . 1 1 31 31 ARG HB2 H 1 1.73 0.02 . 2 . . . . A 31 ARG HB2 . 30471 1 156 . 1 1 31 31 ARG HB3 H 1 1.73 0.02 . 2 . . . . A 31 ARG HB3 . 30471 1 157 . 1 1 31 31 ARG HG2 H 1 1.41 0.02 . 2 . . . . A 31 ARG HG2 . 30471 1 158 . 1 1 31 31 ARG HG3 H 1 1.41 0.02 . 2 . . . . A 31 ARG HG3 . 30471 1 159 . 1 1 31 31 ARG HD2 H 1 3.15 0.02 . 2 . . . . A 31 ARG HD2 . 30471 1 160 . 1 1 31 31 ARG HD3 H 1 3.15 0.02 . 2 . . . . A 31 ARG HD3 . 30471 1 161 . 1 1 31 31 ARG C C 13 175.4 0.2 . 1 . . . . A 31 ARG C . 30471 1 162 . 1 1 31 31 ARG CA C 13 54.8 0.2 . 1 . . . . A 31 ARG CA . 30471 1 163 . 1 1 31 31 ARG CB C 13 32.2 0.2 . 1 . . . . A 31 ARG CB . 30471 1 164 . 1 1 31 31 ARG N N 15 129.2 0.1 . 1 . . . . A 31 ARG N . 30471 1 165 . 1 1 32 32 VAL H H 1 8.45 0.02 . 1 . . . . A 32 VAL H . 30471 1 166 . 1 1 32 32 VAL HA H 1 4.73 0.02 . 1 . . . . A 32 VAL HA . 30471 1 167 . 1 1 32 32 VAL HB H 1 1.92 0.02 . 1 . . . . A 32 VAL HB . 30471 1 168 . 1 1 32 32 VAL HG11 H 1 0.80 0.02 . 2 . . . . A 32 VAL HG11 . 30471 1 169 . 1 1 32 32 VAL HG12 H 1 0.80 0.02 . 2 . . . . A 32 VAL HG12 . 30471 1 170 . 1 1 32 32 VAL HG13 H 1 0.80 0.02 . 2 . . . . A 32 VAL HG13 . 30471 1 171 . 1 1 32 32 VAL HG21 H 1 0.63 0.02 . 2 . . . . A 32 VAL HG21 . 30471 1 172 . 1 1 32 32 VAL HG22 H 1 0.63 0.02 . 2 . . . . A 32 VAL HG22 . 30471 1 173 . 1 1 32 32 VAL HG23 H 1 0.63 0.02 . 2 . . . . A 32 VAL HG23 . 30471 1 174 . 1 1 32 32 VAL C C 13 174.5 0.2 . 1 . . . . A 32 VAL C . 30471 1 175 . 1 1 32 32 VAL CA C 13 58.9 0.2 . 1 . . . . A 32 VAL CA . 30471 1 176 . 1 1 32 32 VAL CB C 13 36.0 0.2 . 1 . . . . A 32 VAL CB . 30471 1 177 . 1 1 32 32 VAL N N 15 119.0 0.1 . 1 . . . . A 32 VAL N . 30471 1 178 . 1 1 33 33 LEU H H 1 8.44 0.02 . 1 . . . . A 33 LEU H . 30471 1 179 . 1 1 33 33 LEU HA H 1 4.65 0.02 . 1 . . . . A 33 LEU HA . 30471 1 180 . 1 1 33 33 LEU HB2 H 1 1.45 0.02 . 2 . . . . A 33 LEU HB2 . 30471 1 181 . 1 1 33 33 LEU HB3 H 1 1.45 0.02 . 2 . . . . A 33 LEU HB3 . 30471 1 182 . 1 1 33 33 LEU HG H 1 1.31 0.02 . 1 . . . . A 33 LEU HG . 30471 1 183 . 1 1 33 33 LEU HD11 H 1 0.70 0.02 . 2 . . . . A 33 LEU HD11 . 30471 1 184 . 1 1 33 33 LEU HD12 H 1 0.70 0.02 . 2 . . . . A 33 LEU HD12 . 30471 1 185 . 1 1 33 33 LEU HD13 H 1 0.70 0.02 . 2 . . . . A 33 LEU HD13 . 30471 1 186 . 1 1 33 33 LEU HD21 H 1 0.80 0.02 . 2 . . . . A 33 LEU HD21 . 30471 1 187 . 1 1 33 33 LEU HD22 H 1 0.80 0.02 . 2 . . . . A 33 LEU HD22 . 30471 1 188 . 1 1 33 33 LEU HD23 H 1 0.80 0.02 . 2 . . . . A 33 LEU HD23 . 30471 1 189 . 1 1 33 33 LEU C C 13 176.9 0.2 . 1 . . . . A 33 LEU C . 30471 1 190 . 1 1 33 33 LEU CA C 13 54.0 0.2 . 1 . . . . A 33 LEU CA . 30471 1 191 . 1 1 33 33 LEU CB C 13 43.2 0.2 . 1 . . . . A 33 LEU CB . 30471 1 192 . 1 1 33 33 LEU N N 15 121.8 0.1 . 1 . . . . A 33 LEU N . 30471 1 193 . 1 1 34 34 GLU H H 1 7.95 0.02 . 1 . . . . A 34 GLU H . 30471 1 194 . 1 1 34 34 GLU HA H 1 3.57 0.02 . 1 . . . . A 34 GLU HA . 30471 1 195 . 1 1 34 34 GLU HB2 H 1 1.88 0.02 . 2 . . . . A 34 GLU HB2 . 30471 1 196 . 1 1 34 34 GLU HB3 H 1 1.88 0.02 . 2 . . . . A 34 GLU HB3 . 30471 1 197 . 1 1 34 34 GLU HG2 H 1 2.35 0.02 . 2 . . . . A 34 GLU HG2 . 30471 1 198 . 1 1 34 34 GLU HG3 H 1 2.35 0.02 . 2 . . . . A 34 GLU HG3 . 30471 1 199 . 1 1 34 34 GLU C C 13 176.7 0.2 . 1 . . . . A 34 GLU C . 30471 1 200 . 1 1 34 34 GLU CA C 13 58.4 0.2 . 1 . . . . A 34 GLU CA . 30471 1 201 . 1 1 34 34 GLU CB C 13 30.0 0.2 . 1 . . . . A 34 GLU CB . 30471 1 202 . 1 1 34 34 GLU N N 15 119.7 0.1 . 1 . . . . A 34 GLU N . 30471 1 203 . 1 1 35 35 GLY H H 1 9.47 0.02 . 1 . . . . A 35 GLY H . 30471 1 204 . 1 1 35 35 GLY HA2 H 1 3.93 0.02 . 2 . . . . A 35 GLY HA2 . 30471 1 205 . 1 1 35 35 GLY HA3 H 1 4.35 0.02 . 2 . . . . A 35 GLY HA3 . 30471 1 206 . 1 1 35 35 GLY C C 13 176.2 0.2 . 1 . . . . A 35 GLY C . 30471 1 207 . 1 1 35 35 GLY CA C 13 44.5 0.2 . 1 . . . . A 35 GLY CA . 30471 1 208 . 1 1 35 35 GLY N N 15 112.0 0.1 . 1 . . . . A 35 GLY N . 30471 1 209 . 1 1 36 36 GLU H H 1 8.12 0.02 . 1 . . . . A 36 GLU H . 30471 1 210 . 1 1 36 36 GLU HA H 1 4.48 0.02 . 1 . . . . A 36 GLU HA . 30471 1 211 . 1 1 36 36 GLU HB2 H 1 2.12 0.02 . 2 . . . . A 36 GLU HB2 . 30471 1 212 . 1 1 36 36 GLU HB3 H 1 2.12 0.02 . 2 . . . . A 36 GLU HB3 . 30471 1 213 . 1 1 36 36 GLU HG2 H 1 2.38 0.02 . 2 . . . . A 36 GLU HG2 . 30471 1 214 . 1 1 36 36 GLU HG3 H 1 2.38 0.02 . 2 . . . . A 36 GLU HG3 . 30471 1 215 . 1 1 36 36 GLU C C 13 174.8 0.2 . 1 . . . . A 36 GLU C . 30471 1 216 . 1 1 36 36 GLU CA C 13 56.4 0.2 . 1 . . . . A 36 GLU CA . 30471 1 217 . 1 1 36 36 GLU CB C 13 30.5 0.2 . 1 . . . . A 36 GLU CB . 30471 1 218 . 1 1 36 36 GLU N N 15 122.2 0.1 . 1 . . . . A 36 GLU N . 30471 1 219 . 1 1 37 37 THR H H 1 8.41 0.02 . 1 . . . . A 37 THR H . 30471 1 220 . 1 1 37 37 THR HA H 1 5.27 0.02 . 1 . . . . A 37 THR HA . 30471 1 221 . 1 1 37 37 THR HB H 1 3.90 0.02 . 1 . . . . A 37 THR HB . 30471 1 222 . 1 1 37 37 THR HG21 H 1 0.87 0.02 . 1 . . . . A 37 THR HG21 . 30471 1 223 . 1 1 37 37 THR HG22 H 1 0.87 0.02 . 1 . . . . A 37 THR HG22 . 30471 1 224 . 1 1 37 37 THR HG23 H 1 0.87 0.02 . 1 . . . . A 37 THR HG23 . 30471 1 225 . 1 1 37 37 THR C C 13 173.3 0.2 . 1 . . . . A 37 THR C . 30471 1 226 . 1 1 37 37 THR CA C 13 61.7 0.2 . 1 . . . . A 37 THR CA . 30471 1 227 . 1 1 37 37 THR CB C 13 70.4 0.2 . 1 . . . . A 37 THR CB . 30471 1 228 . 1 1 37 37 THR N N 15 116.4 0.1 . 1 . . . . A 37 THR N . 30471 1 229 . 1 1 38 38 ALA H H 1 9.10 0.02 . 1 . . . . A 38 ALA H . 30471 1 230 . 1 1 38 38 ALA HA H 1 4.42 0.02 . 1 . . . . A 38 ALA HA . 30471 1 231 . 1 1 38 38 ALA HB1 H 1 1.28 0.02 . 1 . . . . A 38 ALA HB1 . 30471 1 232 . 1 1 38 38 ALA HB2 H 1 1.28 0.02 . 1 . . . . A 38 ALA HB2 . 30471 1 233 . 1 1 38 38 ALA HB3 H 1 1.28 0.02 . 1 . . . . A 38 ALA HB3 . 30471 1 234 . 1 1 38 38 ALA C C 13 174.9 0.2 . 1 . . . . A 38 ALA C . 30471 1 235 . 1 1 38 38 ALA CA C 13 50.4 0.2 . 1 . . . . A 38 ALA CA . 30471 1 236 . 1 1 38 38 ALA CB C 13 22.6 0.2 . 1 . . . . A 38 ALA CB . 30471 1 237 . 1 1 38 38 ALA N N 15 131.1 0.1 . 1 . . . . A 38 ALA N . 30471 1 238 . 1 1 39 39 ARG H H 1 7.84 0.02 . 1 . . . . A 39 ARG H . 30471 1 239 . 1 1 39 39 ARG HA H 1 5.24 0.02 . 1 . . . . A 39 ARG HA . 30471 1 240 . 1 1 39 39 ARG HB2 H 1 1.47 0.02 . 2 . . . . A 39 ARG HB2 . 30471 1 241 . 1 1 39 39 ARG HB3 H 1 1.47 0.02 . 2 . . . . A 39 ARG HB3 . 30471 1 242 . 1 1 39 39 ARG HG2 H 1 1.78 0.02 . 2 . . . . A 39 ARG HG2 . 30471 1 243 . 1 1 39 39 ARG HG3 H 1 1.78 0.02 . 2 . . . . A 39 ARG HG3 . 30471 1 244 . 1 1 39 39 ARG HD2 H 1 3.04 0.02 . 2 . . . . A 39 ARG HD2 . 30471 1 245 . 1 1 39 39 ARG HD3 H 1 3.04 0.02 . 2 . . . . A 39 ARG HD3 . 30471 1 246 . 1 1 39 39 ARG C C 13 175.0 0.2 . 1 . . . . A 39 ARG C . 30471 1 247 . 1 1 39 39 ARG CA C 13 55.5 0.2 . 1 . . . . A 39 ARG CA . 30471 1 248 . 1 1 39 39 ARG CB C 13 31.9 0.2 . 1 . . . . A 39 ARG CB . 30471 1 249 . 1 1 39 39 ARG N N 15 120.8 0.1 . 1 . . . . A 39 ARG N . 30471 1 250 . 1 1 40 40 PHE H H 1 9.38 0.02 . 1 . . . . A 40 PHE H . 30471 1 251 . 1 1 40 40 PHE HA H 1 4.94 0.02 . 1 . . . . A 40 PHE HA . 30471 1 252 . 1 1 40 40 PHE HB2 H 1 3.02 0.02 . 2 . . . . A 40 PHE HB2 . 30471 1 253 . 1 1 40 40 PHE HB3 H 1 2.53 0.02 . . . . . . A 40 PHE HB3 . 30471 1 254 . 1 1 40 40 PHE C C 13 175.1 0.2 . 1 . . . . A 40 PHE C . 30471 1 255 . 1 1 40 40 PHE CA C 13 56.4 0.2 . 1 . . . . A 40 PHE CA . 30471 1 256 . 1 1 40 40 PHE CB C 13 34.5 0.2 . 1 . . . . A 40 PHE CB . 30471 1 257 . 1 1 40 40 PHE N N 15 120.3 0.1 . 1 . . . . A 40 PHE N . 30471 1 258 . 1 1 41 41 ARG H H 1 8.94 0.02 . 1 . . . . A 41 ARG H . 30471 1 259 . 1 1 41 41 ARG HA H 1 5.63 0.02 . 1 . . . . A 41 ARG HA . 30471 1 260 . 1 1 41 41 ARG HB2 H 1 1.74 0.02 . 2 . . . . A 41 ARG HB2 . 30471 1 261 . 1 1 41 41 ARG HB3 H 1 1.75 0.02 . 2 . . . . A 41 ARG HB3 . 30471 1 262 . 1 1 41 41 ARG HG2 H 1 1.45 0.02 . 2 . . . . A 41 ARG HG2 . 30471 1 263 . 1 1 41 41 ARG HG3 H 1 1.45 0.02 . 2 . . . . A 41 ARG HG3 . 30471 1 264 . 1 1 41 41 ARG HD2 H 1 3.00 0.02 . 2 . . . . A 41 ARG HD2 . 30471 1 265 . 1 1 41 41 ARG HD3 H 1 3.00 0.02 . 2 . . . . A 41 ARG HD3 . 30471 1 266 . 1 1 41 41 ARG C C 13 174.7 0.2 . 1 . . . . A 41 ARG C . 30471 1 267 . 1 1 41 41 ARG CA C 13 54.8 0.2 . 1 . . . . A 41 ARG CA . 30471 1 268 . 1 1 41 41 ARG CB C 13 33.9 0.2 . 1 . . . . A 41 ARG CB . 30471 1 269 . 1 1 41 41 ARG N N 15 120.8 0.1 . 1 . . . . A 41 ARG N . 30471 1 270 . 1 1 42 42 CYS H H 1 9.15 0.02 . 1 . . . . A 42 CYS H . 30471 1 271 . 1 1 42 42 CYS HA H 1 4.82 0.02 . 1 . . . . A 42 CYS HA . 30471 1 272 . 1 1 42 42 CYS HB2 H 1 1.66 0.02 . 2 . . . . A 42 CYS HB2 . 30471 1 273 . 1 1 42 42 CYS HB3 H 1 1.66 0.02 . 2 . . . . A 42 CYS HB3 . 30471 1 274 . 1 1 42 42 CYS C C 13 172.4 0.2 . 1 . . . . A 42 CYS C . 30471 1 275 . 1 1 42 42 CYS CA C 13 57.5 0.2 . 1 . . . . A 42 CYS CA . 30471 1 276 . 1 1 42 42 CYS CB C 13 30.6 0.2 . 1 . . . . A 42 CYS CB . 30471 1 277 . 1 1 42 42 CYS N N 15 115.8 0.1 . 1 . . . . A 42 CYS N . 30471 1 278 . 1 1 43 43 ARG H H 1 8.64 0.02 . 1 . . . . A 43 ARG H . 30471 1 279 . 1 1 43 43 ARG HA H 1 5.20 0.02 . 1 . . . . A 43 ARG HA . 30471 1 280 . 1 1 43 43 ARG HB2 H 1 1.87 0.02 . 2 . . . . A 43 ARG HB2 . 30471 1 281 . 1 1 43 43 ARG HB3 H 1 1.87 0.02 . 2 . . . . A 43 ARG HB3 . 30471 1 282 . 1 1 43 43 ARG HG2 H 1 1.45 0.02 . 2 . . . . A 43 ARG HG2 . 30471 1 283 . 1 1 43 43 ARG HG3 H 1 1.45 0.02 . 2 . . . . A 43 ARG HG3 . 30471 1 284 . 1 1 43 43 ARG HD2 H 1 3.00 0.02 . 2 . . . . A 43 ARG HD2 . 30471 1 285 . 1 1 43 43 ARG HD3 H 1 3.00 0.02 . 2 . . . . A 43 ARG HD3 . 30471 1 286 . 1 1 43 43 ARG C C 13 174.7 0.2 . 1 . . . . A 43 ARG C . 30471 1 287 . 1 1 43 43 ARG CA C 13 55.7 0.2 . 1 . . . . A 43 ARG CA . 30471 1 288 . 1 1 43 43 ARG CB C 13 35.3 0.2 . 1 . . . . A 43 ARG CB . 30471 1 289 . 1 1 43 43 ARG N N 15 126.9 0.1 . 1 . . . . A 43 ARG N . 30471 1 290 . 1 1 44 44 VAL H H 1 9.32 0.02 . 1 . . . . A 44 VAL H . 30471 1 291 . 1 1 44 44 VAL HA H 1 5.30 0.02 . 1 . . . . A 44 VAL HA . 30471 1 292 . 1 1 44 44 VAL HB H 1 2.01 0.02 . 1 . . . . A 44 VAL HB . 30471 1 293 . 1 1 44 44 VAL HG11 H 1 0.65 0.02 . 2 . . . . A 44 VAL HG11 . 30471 1 294 . 1 1 44 44 VAL HG12 H 1 0.65 0.02 . 2 . . . . A 44 VAL HG12 . 30471 1 295 . 1 1 44 44 VAL HG13 H 1 0.65 0.02 . 2 . . . . A 44 VAL HG13 . 30471 1 296 . 1 1 44 44 VAL HG21 H 1 0.65 0.02 . 2 . . . . A 44 VAL HG21 . 30471 1 297 . 1 1 44 44 VAL HG22 H 1 0.65 0.02 . 2 . . . . A 44 VAL HG22 . 30471 1 298 . 1 1 44 44 VAL HG23 H 1 0.65 0.02 . 2 . . . . A 44 VAL HG23 . 30471 1 299 . 1 1 44 44 VAL C C 13 178.3 0.2 . 1 . . . . A 44 VAL C . 30471 1 300 . 1 1 44 44 VAL CA C 13 52.7 0.2 . 1 . . . . A 44 VAL CA . 30471 1 301 . 1 1 44 44 VAL CB C 13 34.9 0.2 . 1 . . . . A 44 VAL CB . 30471 1 302 . 1 1 44 44 VAL N N 15 122.8 0.1 . 1 . . . . A 44 VAL N . 30471 1 303 . 1 1 45 45 THR H H 1 8.90 0.02 . 1 . . . . A 45 THR H . 30471 1 304 . 1 1 45 45 THR HA H 1 4.76 0.02 . 1 . . . . A 45 THR HA . 30471 1 305 . 1 1 45 45 THR HB H 1 4.27 0.02 . 1 . . . . A 45 THR HB . 30471 1 306 . 1 1 45 45 THR HG21 H 1 1.05 0.02 . 1 . . . . A 45 THR HG21 . 30471 1 307 . 1 1 45 45 THR HG22 H 1 1.05 0.02 . 1 . . . . A 45 THR HG22 . 30471 1 308 . 1 1 45 45 THR HG23 H 1 1.05 0.02 . 1 . . . . A 45 THR HG23 . 30471 1 309 . 1 1 45 45 THR C C 13 173.2 0.2 . 1 . . . . A 45 THR C . 30471 1 310 . 1 1 45 45 THR CA C 13 59.4 0.2 . 1 . . . . A 45 THR CA . 30471 1 311 . 1 1 45 45 THR CB C 13 71.4 0.2 . 1 . . . . A 45 THR CB . 30471 1 312 . 1 1 45 45 THR N N 15 114.5 0.1 . 1 . . . . A 45 THR N . 30471 1 313 . 1 1 46 46 GLY H H 1 7.91 0.02 . 1 . . . . A 46 GLY H . 30471 1 314 . 1 1 46 46 GLY HA2 H 1 3.92 0.02 . 2 . . . . A 46 GLY HA2 . 30471 1 315 . 1 1 46 46 GLY HA3 H 1 3.37 0.02 . 2 . . . . A 46 GLY HA3 . 30471 1 316 . 1 1 46 46 GLY C C 13 170.9 0.2 . 1 . . . . A 46 GLY C . 30471 1 317 . 1 1 46 46 GLY CA C 13 44.9 0.2 . 1 . . . . A 46 GLY CA . 30471 1 318 . 1 1 46 46 GLY N N 15 106.5 0.1 . 1 . . . . A 46 GLY N . 30471 1 319 . 1 1 47 47 TYR H H 1 8.25 0.02 . 1 . . . . A 47 TYR H . 30471 1 320 . 1 1 47 47 TYR HA H 1 4.38 0.02 . 1 . . . . A 47 TYR HA . 30471 1 321 . 1 1 47 47 TYR HB2 H 1 3.01 0.02 . 2 . . . . A 47 TYR HB2 . 30471 1 322 . 1 1 47 47 TYR HB3 H 1 3.01 0.02 . 2 . . . . A 47 TYR HB3 . 30471 1 323 . 1 1 47 47 TYR HD1 H 1 6.9 0.02 . 2 . . . . A 47 TYR HD1 . 30471 1 324 . 1 1 47 47 TYR HD2 H 1 6.9 0.02 . 2 . . . . A 47 TYR HD2 . 30471 1 325 . 1 1 47 47 TYR C C 13 172.9 0.2 . 1 . . . . A 47 TYR C . 30471 1 326 . 1 1 47 47 TYR CA C 13 57.2 0.2 . 1 . . . . A 47 TYR CA . 30471 1 327 . 1 1 47 47 TYR CB C 13 41.2 0.2 . 1 . . . . A 47 TYR CB . 30471 1 328 . 1 1 47 47 TYR N N 15 120.7 0.1 . 1 . . . . A 47 TYR N . 30471 1 329 . 1 1 48 48 PRO C C 13 174.9 0.2 . 1 . . . . A 48 PRO C . 30471 1 330 . 1 1 48 48 PRO CA C 13 62.6 0.2 . 1 . . . . A 48 PRO CA . 30471 1 331 . 1 1 48 48 PRO CB C 13 32.0 0.2 . 1 . . . . A 48 PRO CB . 30471 1 332 . 1 1 49 49 GLN H H 1 8.36 0.02 . 1 . . . . A 49 GLN H . 30471 1 333 . 1 1 49 49 GLN HA H 1 5.02 0.02 . 1 . . . . A 49 GLN HA . 30471 1 334 . 1 1 49 49 GLN HB2 H 1 1.86 0.02 . 2 . . . . A 49 GLN HB2 . 30471 1 335 . 1 1 49 49 GLN HB3 H 1 1.86 0.02 . 2 . . . . A 49 GLN HB3 . 30471 1 336 . 1 1 49 49 GLN HG2 H 1 2.46 0.02 . 2 . . . . A 49 GLN HG2 . 30471 1 337 . 1 1 49 49 GLN HG3 H 1 2.46 0.02 . 2 . . . . A 49 GLN HG3 . 30471 1 338 . 1 1 49 49 GLN C C 13 174.0 0.2 . 1 . . . . A 49 GLN C . 30471 1 339 . 1 1 49 49 GLN CA C 13 53.6 0.2 . 1 . . . . A 49 GLN CA . 30471 1 340 . 1 1 49 49 GLN CB C 13 31.6 0.2 . 1 . . . . A 49 GLN CB . 30471 1 341 . 1 1 49 49 GLN N N 15 120.4 0.1 . 1 . . . . A 49 GLN N . 30471 1 342 . 1 1 50 50 PRO HA H 1 4.34 0.02 . 1 . . . . A 50 PRO HA . 30471 1 343 . 1 1 50 50 PRO HB2 H 1 1.72 0.02 . 2 . . . . A 50 PRO HB2 . 30471 1 344 . 1 1 50 50 PRO HB3 H 1 1.72 0.02 . 2 . . . . A 50 PRO HB3 . 30471 1 345 . 1 1 50 50 PRO HG2 H 1 1.39 0.02 . 2 . . . . A 50 PRO HG2 . 30471 1 346 . 1 1 50 50 PRO HG3 H 1 1.39 0.02 . 2 . . . . A 50 PRO HG3 . 30471 1 347 . 1 1 50 50 PRO HD2 H 1 3.81 0.02 . 2 . . . . A 50 PRO HD2 . 30471 1 348 . 1 1 50 50 PRO HD3 H 1 3.81 0.02 . 2 . . . . A 50 PRO HD3 . 30471 1 349 . 1 1 50 50 PRO C C 13 175.3 0.2 . 1 . . . . A 50 PRO C . 30471 1 350 . 1 1 50 50 PRO CA C 13 62.7 0.2 . 1 . . . . A 50 PRO CA . 30471 1 351 . 1 1 50 50 PRO CB C 13 32.9 0.2 . 1 . . . . A 50 PRO CB . 30471 1 352 . 1 1 51 51 LYS H H 1 8.92 0.02 . 1 . . . . A 51 LYS H . 30471 1 353 . 1 1 51 51 LYS HA H 1 4.42 0.02 . 1 . . . . A 51 LYS HA . 30471 1 354 . 1 1 51 51 LYS HB2 H 1 1.71 0.02 . 2 . . . . A 51 LYS HB2 . 30471 1 355 . 1 1 51 51 LYS HB3 H 1 1.71 0.02 . 2 . . . . A 51 LYS HB3 . 30471 1 356 . 1 1 51 51 LYS HG2 H 1 1.35 0.02 . 2 . . . . A 51 LYS HG2 . 30471 1 357 . 1 1 51 51 LYS HG3 H 1 1.35 0.02 . 2 . . . . A 51 LYS HG3 . 30471 1 358 . 1 1 51 51 LYS HD2 H 1 1.64 0.02 . 2 . . . . A 51 LYS HD2 . 30471 1 359 . 1 1 51 51 LYS HD3 H 1 1.64 0.02 . 2 . . . . A 51 LYS HD3 . 30471 1 360 . 1 1 51 51 LYS HE2 H 1 3.13 0.02 . 2 . . . . A 51 LYS HE2 . 30471 1 361 . 1 1 51 51 LYS HE3 H 1 3.13 0.02 . 2 . . . . A 51 LYS HE3 . 30471 1 362 . 1 1 51 51 LYS C C 13 176.5 0.2 . 1 . . . . A 51 LYS C . 30471 1 363 . 1 1 51 51 LYS CA C 13 55.3 0.2 . 1 . . . . A 51 LYS CA . 30471 1 364 . 1 1 51 51 LYS CB C 13 32.9 0.2 . 1 . . . . A 51 LYS CB . 30471 1 365 . 1 1 51 51 LYS N N 15 123.6 0.1 . 1 . . . . A 51 LYS N . 30471 1 366 . 1 1 52 52 VAL H H 1 8.54 0.02 . 1 . . . . A 52 VAL H . 30471 1 367 . 1 1 52 52 VAL HA H 1 4.87 0.02 . 1 . . . . A 52 VAL HA . 30471 1 368 . 1 1 52 52 VAL HB H 1 0.81 0.02 . 1 . . . . A 52 VAL HB . 30471 1 369 . 1 1 52 52 VAL HG11 H 1 0.12 0.02 . 2 . . . . A 52 VAL HG11 . 30471 1 370 . 1 1 52 52 VAL HG12 H 1 0.12 0.02 . 2 . . . . A 52 VAL HG12 . 30471 1 371 . 1 1 52 52 VAL HG13 H 1 0.12 0.02 . 2 . . . . A 52 VAL HG13 . 30471 1 372 . 1 1 52 52 VAL HG21 H 1 -0.2 0.02 . 2 . . . . A 52 VAL HG21 . 30471 1 373 . 1 1 52 52 VAL HG22 H 1 -0.2 0.02 . 2 . . . . A 52 VAL HG22 . 30471 1 374 . 1 1 52 52 VAL HG23 H 1 -0.2 0.02 . 2 . . . . A 52 VAL HG23 . 30471 1 375 . 1 1 52 52 VAL C C 13 174.6 0.2 . 1 . . . . A 52 VAL C . 30471 1 376 . 1 1 52 52 VAL CA C 13 61.0 0.2 . 1 . . . . A 52 VAL CA . 30471 1 377 . 1 1 52 52 VAL CB C 13 33.5 0.2 . 1 . . . . A 52 VAL CB . 30471 1 378 . 1 1 52 52 VAL N N 15 129.9 0.1 . 1 . . . . A 52 VAL N . 30471 1 379 . 1 1 53 53 ASN H H 1 8.32 0.02 . 1 . . . . A 53 ASN H . 30471 1 380 . 1 1 53 53 ASN HA H 1 4.86 0.02 . 1 . . . . A 53 ASN HA . 30471 1 381 . 1 1 53 53 ASN HB2 H 1 2.10 0.02 . 2 . . . . A 53 ASN HB2 . 30471 1 382 . 1 1 53 53 ASN HB3 H 1 2.50 0.02 . 2 . . . . A 53 ASN HB3 . 30471 1 383 . 1 1 53 53 ASN C C 13 171.4 0.2 . 1 . . . . A 53 ASN C . 30471 1 384 . 1 1 53 53 ASN CA C 13 51.6 0.2 . 1 . . . . A 53 ASN CA . 30471 1 385 . 1 1 53 53 ASN CB C 13 43.6 0.2 . 1 . . . . A 53 ASN CB . 30471 1 386 . 1 1 53 53 ASN N N 15 125.8 0.1 . 1 . . . . A 53 ASN N . 30471 1 387 . 1 1 54 54 TRP H H 1 8.88 0.02 . 1 . . . . A 54 TRP H . 30471 1 388 . 1 1 54 54 TRP HA H 1 5.45 0.02 . 1 . . . . A 54 TRP HA . 30471 1 389 . 1 1 54 54 TRP HB2 H 1 2.67 0.02 . 2 . . . . A 54 TRP HB2 . 30471 1 390 . 1 1 54 54 TRP HB3 H 1 2.91 0.02 . 2 . . . . A 54 TRP HB3 . 30471 1 391 . 1 1 54 54 TRP C C 13 174.8 0.2 . 1 . . . . A 54 TRP C . 30471 1 392 . 1 1 54 54 TRP CA C 13 55.1 0.2 . 1 . . . . A 54 TRP CA . 30471 1 393 . 1 1 54 54 TRP CB C 13 33.1 0.2 . 1 . . . . A 54 TRP CB . 30471 1 394 . 1 1 54 54 TRP N N 15 119.1 0.1 . 1 . . . . A 54 TRP N . 30471 1 395 . 1 1 55 55 TYR H H 1 9.53 0.02 . 1 . . . . A 55 TYR H . 30471 1 396 . 1 1 55 55 TYR HA H 1 5.11 0.02 . 1 . . . . A 55 TYR HA . 30471 1 397 . 1 1 55 55 TYR HB2 H 1 2.28 0.02 . 2 . . . . A 55 TYR HB2 . 30471 1 398 . 1 1 55 55 TYR HB3 H 1 2.86 0.02 . 2 . . . . A 55 TYR HB3 . 30471 1 399 . 1 1 55 55 TYR C C 13 174.8 0.2 . 1 . . . . A 55 TYR C . 30471 1 400 . 1 1 55 55 TYR CA C 13 56.2 0.2 . 1 . . . . A 55 TYR CA . 30471 1 401 . 1 1 55 55 TYR CB C 13 42.5 0.2 . 1 . . . . A 55 TYR CB . 30471 1 402 . 1 1 55 55 TYR N N 15 117.8 0.1 . 1 . . . . A 55 TYR N . 30471 1 403 . 1 1 56 56 LEU H H 1 8.52 0.02 . 1 . . . . A 56 LEU H . 30471 1 404 . 1 1 56 56 LEU HA H 1 5.22 0.02 . 1 . . . . A 56 LEU HA . 30471 1 405 . 1 1 56 56 LEU HB2 H 1 1.51 0.02 . 2 . . . . A 56 LEU HB2 . 30471 1 406 . 1 1 56 56 LEU HB3 H 1 1.51 0.02 . 2 . . . . A 56 LEU HB3 . 30471 1 407 . 1 1 56 56 LEU HD11 H 1 1.12 0.02 . 2 . . . . A 56 LEU HD11 . 30471 1 408 . 1 1 56 56 LEU HD12 H 1 1.12 0.02 . 2 . . . . A 56 LEU HD12 . 30471 1 409 . 1 1 56 56 LEU HD13 H 1 1.12 0.02 . 2 . . . . A 56 LEU HD13 . 30471 1 410 . 1 1 56 56 LEU HD21 H 1 0.86 0.02 . 2 . . . . A 56 LEU HD21 . 30471 1 411 . 1 1 56 56 LEU HD22 H 1 0.86 0.02 . 2 . . . . A 56 LEU HD22 . 30471 1 412 . 1 1 56 56 LEU HD23 H 1 0.86 0.02 . 2 . . . . A 56 LEU HD23 . 30471 1 413 . 1 1 56 56 LEU C C 13 176.8 0.2 . 1 . . . . A 56 LEU C . 30471 1 414 . 1 1 56 56 LEU CA C 13 53.3 0.2 . 1 . . . . A 56 LEU CA . 30471 1 415 . 1 1 56 56 LEU CB C 13 44.1 0.2 . 1 . . . . A 56 LEU CB . 30471 1 416 . 1 1 56 56 LEU N N 15 121.5 0.1 . 1 . . . . A 56 LEU N . 30471 1 417 . 1 1 57 57 ASN H H 1 9.84 0.02 . 1 . . . . A 57 ASN H . 30471 1 418 . 1 1 57 57 ASN HA H 1 4.59 0.02 . 1 . . . . A 57 ASN HA . 30471 1 419 . 1 1 57 57 ASN HB2 H 1 2.93 0.02 . 2 . . . . A 57 ASN HB2 . 30471 1 420 . 1 1 57 57 ASN HB3 H 1 2.93 0.02 . 2 . . . . A 57 ASN HB3 . 30471 1 421 . 1 1 57 57 ASN C C 13 175.8 0.2 . 1 . . . . A 57 ASN C . 30471 1 422 . 1 1 57 57 ASN CA C 13 55.4 0.2 . 1 . . . . A 57 ASN CA . 30471 1 423 . 1 1 57 57 ASN CB C 13 37.4 0.2 . 1 . . . . A 57 ASN CB . 30471 1 424 . 1 1 57 57 ASN N N 15 128.3 0.1 . 1 . . . . A 57 ASN N . 30471 1 425 . 1 1 58 58 GLY H H 1 9.42 0.02 . 1 . . . . A 58 GLY H . 30471 1 426 . 1 1 58 58 GLY HA2 H 1 4.61 0.02 . 2 . . . . A 58 GLY HA2 . 30471 1 427 . 1 1 58 58 GLY HA3 H 1 3.45 0.02 . 2 . . . . A 58 GLY HA3 . 30471 1 428 . 1 1 58 58 GLY C C 13 173.7 0.2 . 1 . . . . A 58 GLY C . 30471 1 429 . 1 1 58 58 GLY CA C 13 45.4 0.2 . 1 . . . . A 58 GLY CA . 30471 1 430 . 1 1 58 58 GLY N N 15 107.3 0.1 . 1 . . . . A 58 GLY N . 30471 1 431 . 1 1 59 59 GLN H H 1 7.96 0.02 . 1 . . . . A 59 GLN H . 30471 1 432 . 1 1 59 59 GLN HA H 1 4.66 0.02 . 1 . . . . A 59 GLN HA . 30471 1 433 . 1 1 59 59 GLN HB2 H 1 2.13 0.02 . 2 . . . . A 59 GLN HB2 . 30471 1 434 . 1 1 59 59 GLN HB3 H 1 2.13 0.02 . 2 . . . . A 59 GLN HB3 . 30471 1 435 . 1 1 59 59 GLN HG2 H 1 2.34 0.02 . 2 . . . . A 59 GLN HG2 . 30471 1 436 . 1 1 59 59 GLN HG3 H 1 2.34 0.02 . 2 . . . . A 59 GLN HG3 . 30471 1 437 . 1 1 59 59 GLN C C 13 175.1 0.2 . 1 . . . . A 59 GLN C . 30471 1 438 . 1 1 59 59 GLN CA C 13 54.3 0.2 . 1 . . . . A 59 GLN CA . 30471 1 439 . 1 1 59 59 GLN CB C 13 29.9 0.2 . 1 . . . . A 59 GLN CB . 30471 1 440 . 1 1 59 59 GLN N N 15 121.0 0.1 . 1 . . . . A 59 GLN N . 30471 1 441 . 1 1 60 60 LEU H H 1 8.68 0.02 . 1 . . . . A 60 LEU H . 30471 1 442 . 1 1 60 60 LEU HA H 1 3.50 0.02 . 1 . . . . A 60 LEU HA . 30471 1 443 . 1 1 60 60 LEU HB2 H 1 1.53 0.02 . 2 . . . . A 60 LEU HB2 . 30471 1 444 . 1 1 60 60 LEU HB3 H 1 1.53 0.02 . 2 . . . . A 60 LEU HB3 . 30471 1 445 . 1 1 60 60 LEU HD11 H 1 1.20 0.02 . 2 . . . . A 60 LEU HD11 . 30471 1 446 . 1 1 60 60 LEU HD12 H 1 1.20 0.02 . 2 . . . . A 60 LEU HD12 . 30471 1 447 . 1 1 60 60 LEU HD13 H 1 1.20 0.02 . 2 . . . . A 60 LEU HD13 . 30471 1 448 . 1 1 60 60 LEU HD21 H 1 1.20 0.02 . 2 . . . . A 60 LEU HD21 . 30471 1 449 . 1 1 60 60 LEU HD22 H 1 1.20 0.02 . 2 . . . . A 60 LEU HD22 . 30471 1 450 . 1 1 60 60 LEU HD23 H 1 1.20 0.02 . 2 . . . . A 60 LEU HD23 . 30471 1 451 . 1 1 60 60 LEU C C 13 176.7 0.2 . 1 . . . . A 60 LEU C . 30471 1 452 . 1 1 60 60 LEU CA C 13 56.2 0.2 . 1 . . . . A 60 LEU CA . 30471 1 453 . 1 1 60 60 LEU CB C 13 42.2 0.2 . 1 . . . . A 60 LEU CB . 30471 1 454 . 1 1 60 60 LEU N N 15 128.7 0.1 . 1 . . . . A 60 LEU N . 30471 1 455 . 1 1 61 61 ILE H H 1 8.77 0.02 . 1 . . . . A 61 ILE H . 30471 1 456 . 1 1 61 61 ILE HA H 1 3.60 0.02 . 1 . . . . A 61 ILE HA . 30471 1 457 . 1 1 61 61 ILE HB H 1 1.53 0.02 . 1 . . . . A 61 ILE HB . 30471 1 458 . 1 1 61 61 ILE HG12 H 1 1.22 0.02 . 2 . . . . A 61 ILE HG12 . 30471 1 459 . 1 1 61 61 ILE HG13 H 1 1.22 0.02 . 2 . . . . A 61 ILE HG13 . 30471 1 460 . 1 1 61 61 ILE HG21 H 1 0.36 0.02 . 1 . . . . A 61 ILE HG21 . 30471 1 461 . 1 1 61 61 ILE HG22 H 1 0.36 0.02 . 1 . . . . A 61 ILE HG22 . 30471 1 462 . 1 1 61 61 ILE HG23 H 1 0.36 0.02 . 1 . . . . A 61 ILE HG23 . 30471 1 463 . 1 1 61 61 ILE HD11 H 1 0.42 0.02 . 1 . . . . A 61 ILE HD11 . 30471 1 464 . 1 1 61 61 ILE HD12 H 1 0.42 0.02 . 1 . . . . A 61 ILE HD12 . 30471 1 465 . 1 1 61 61 ILE HD13 H 1 0.42 0.02 . 1 . . . . A 61 ILE HD13 . 30471 1 466 . 1 1 61 61 ILE C C 13 175.2 0.2 . 1 . . . . A 61 ILE C . 30471 1 467 . 1 1 61 61 ILE CA C 13 61.9 0.2 . 1 . . . . A 61 ILE CA . 30471 1 468 . 1 1 61 61 ILE CB C 13 37.5 0.2 . 1 . . . . A 61 ILE CB . 30471 1 469 . 1 1 61 61 ILE N N 15 129.6 0.1 . 1 . . . . A 61 ILE N . 30471 1 470 . 1 1 62 62 ARG H H 1 7.72 0.02 . 1 . . . . A 62 ARG H . 30471 1 471 . 1 1 62 62 ARG HA H 1 4.53 0.02 . 1 . . . . A 62 ARG HA . 30471 1 472 . 1 1 62 62 ARG HB2 H 1 1.81 0.02 . 2 . . . . A 62 ARG HB2 . 30471 1 473 . 1 1 62 62 ARG HB3 H 1 1.81 0.02 . 2 . . . . A 62 ARG HB3 . 30471 1 474 . 1 1 62 62 ARG HG2 H 1 1.64 0.02 . 2 . . . . A 62 ARG HG2 . 30471 1 475 . 1 1 62 62 ARG HG3 H 1 1.64 0.02 . 2 . . . . A 62 ARG HG3 . 30471 1 476 . 1 1 62 62 ARG HD2 H 1 3.19 0.02 . 2 . . . . A 62 ARG HD2 . 30471 1 477 . 1 1 62 62 ARG HD3 H 1 3.19 0.02 . 2 . . . . A 62 ARG HD3 . 30471 1 478 . 1 1 62 62 ARG C C 13 175.0 0.2 . 1 . . . . A 62 ARG C . 30471 1 479 . 1 1 62 62 ARG CA C 13 53.8 0.2 . 1 . . . . A 62 ARG CA . 30471 1 480 . 1 1 62 62 ARG CB C 13 32.3 0.2 . 1 . . . . A 62 ARG CB . 30471 1 481 . 1 1 62 62 ARG N N 15 127.5 0.1 . 1 . . . . A 62 ARG N . 30471 1 482 . 1 1 63 63 LYS HA H 1 4.35 0.02 . 1 . . . . A 63 LYS HA . 30471 1 483 . 1 1 63 63 LYS HB2 H 1 1.87 0.02 . 2 . . . . A 63 LYS HB2 . 30471 1 484 . 1 1 63 63 LYS HB3 H 1 1.87 0.02 . 2 . . . . A 63 LYS HB3 . 30471 1 485 . 1 1 63 63 LYS C C 13 176.4 0.2 . 1 . . . . A 63 LYS C . 30471 1 486 . 1 1 63 63 LYS CA C 13 58.1 0.2 . 1 . . . . A 63 LYS CA . 30471 1 487 . 1 1 63 63 LYS CB C 13 32.8 0.2 . 1 . . . . A 63 LYS CB . 30471 1 488 . 1 1 64 64 SER H H 1 9.24 0.02 . 1 . . . . A 64 SER H . 30471 1 489 . 1 1 64 64 SER HA H 1 4.67 0.02 . 1 . . . . A 64 SER HA . 30471 1 490 . 1 1 64 64 SER HB2 H 1 4.67 0.02 . 2 . . . . A 64 SER HB2 . 30471 1 491 . 1 1 64 64 SER HB3 H 1 4.67 0.02 . 2 . . . . A 64 SER HB3 . 30471 1 492 . 1 1 64 64 SER C C 13 176.2 0.2 . 1 . . . . A 64 SER C . 30471 1 493 . 1 1 64 64 SER CA C 13 57.5 0.2 . 1 . . . . A 64 SER CA . 30471 1 494 . 1 1 64 64 SER CB C 13 65.3 0.2 . 1 . . . . A 64 SER CB . 30471 1 495 . 1 1 64 64 SER N N 15 120.0 0.1 . 1 . . . . A 64 SER N . 30471 1 496 . 1 1 66 66 ARG HA H 1 4.31 0.02 . 1 . . . . A 66 ARG HA . 30471 1 497 . 1 1 66 66 ARG HB2 H 1 1.87 0.02 . 2 . . . . A 66 ARG HB2 . 30471 1 498 . 1 1 66 66 ARG HB3 H 1 1.87 0.02 . 2 . . . . A 66 ARG HB3 . 30471 1 499 . 1 1 66 66 ARG HG2 H 1 1.46 0.02 . 2 . . . . A 66 ARG HG2 . 30471 1 500 . 1 1 66 66 ARG HG3 H 1 1.46 0.02 . 2 . . . . A 66 ARG HG3 . 30471 1 501 . 1 1 66 66 ARG HD2 H 1 2.94 0.02 . 2 . . . . A 66 ARG HD2 . 30471 1 502 . 1 1 66 66 ARG HD3 H 1 2.94 0.02 . 2 . . . . A 66 ARG HD3 . 30471 1 503 . 1 1 66 66 ARG C C 13 174.0 0.2 . 1 . . . . A 66 ARG C . 30471 1 504 . 1 1 66 66 ARG CA C 13 56.8 0.2 . 1 . . . . A 66 ARG CA . 30471 1 505 . 1 1 66 66 ARG CB C 13 30.7 0.2 . 1 . . . . A 66 ARG CB . 30471 1 506 . 1 1 67 67 PHE H H 1 7.09 0.02 . 1 . . . . A 67 PHE H . 30471 1 507 . 1 1 67 67 PHE HA H 1 5.33 0.02 . 1 . . . . A 67 PHE HA . 30471 1 508 . 1 1 67 67 PHE HB2 H 1 3.20 0.02 . 2 . . . . A 67 PHE HB2 . 30471 1 509 . 1 1 67 67 PHE HB3 H 1 2.50 0.02 . 2 . . . . A 67 PHE HB3 . 30471 1 510 . 1 1 67 67 PHE HD1 H 1 7.25 0.02 . 3 . . . . A 67 PHE HD1 . 30471 1 511 . 1 1 67 67 PHE HD2 H 1 7.25 0.02 . 3 . . . . A 67 PHE HD2 . 30471 1 512 . 1 1 67 67 PHE C C 13 174.6 0.2 . 1 . . . . A 67 PHE C . 30471 1 513 . 1 1 67 67 PHE CA C 13 55.3 0.2 . 1 . . . . A 67 PHE CA . 30471 1 514 . 1 1 67 67 PHE CB C 13 40.2 0.2 . 1 . . . . A 67 PHE CB . 30471 1 515 . 1 1 67 67 PHE N N 15 117.1 0.1 . 1 . . . . A 67 PHE N . 30471 1 516 . 1 1 68 68 ARG H H 1 9.07 0.02 . 1 . . . . A 68 ARG H . 30471 1 517 . 1 1 68 68 ARG HA H 1 4.79 0.02 . 1 . . . . A 68 ARG HA . 30471 1 518 . 1 1 68 68 ARG HB2 H 1 1.86 0.02 . 2 . . . . A 68 ARG HB2 . 30471 1 519 . 1 1 68 68 ARG HB3 H 1 1.86 0.02 . 2 . . . . A 68 ARG HB3 . 30471 1 520 . 1 1 68 68 ARG HG2 H 1 1.56 0.02 . 2 . . . . A 68 ARG HG2 . 30471 1 521 . 1 1 68 68 ARG HG3 H 1 1.56 0.02 . 2 . . . . A 68 ARG HG3 . 30471 1 522 . 1 1 68 68 ARG HD2 H 1 3.16 0.02 . 2 . . . . A 68 ARG HD2 . 30471 1 523 . 1 1 68 68 ARG HD3 H 1 3.16 0.02 . 2 . . . . A 68 ARG HD3 . 30471 1 524 . 1 1 68 68 ARG C C 13 175.3 0.2 . 1 . . . . A 68 ARG C . 30471 1 525 . 1 1 68 68 ARG CA C 13 54.9 0.2 . 1 . . . . A 68 ARG CA . 30471 1 526 . 1 1 68 68 ARG CB C 13 30.7 0.2 . 1 . . . . A 68 ARG CB . 30471 1 527 . 1 1 68 68 ARG N N 15 122.2 0.1 . 1 . . . . A 68 ARG N . 30471 1 528 . 1 1 69 69 VAL H H 1 7.81 0.02 . 1 . . . . A 69 VAL H . 30471 1 529 . 1 1 69 69 VAL HA H 1 5.06 0.02 . 1 . . . . A 69 VAL HA . 30471 1 530 . 1 1 69 69 VAL HB H 1 2.00 0.02 . 1 . . . . A 69 VAL HB . 30471 1 531 . 1 1 69 69 VAL HG11 H 1 1.15 0.02 . 2 . . . . A 69 VAL HG11 . 30471 1 532 . 1 1 69 69 VAL HG12 H 1 1.15 0.02 . 2 . . . . A 69 VAL HG12 . 30471 1 533 . 1 1 69 69 VAL HG13 H 1 1.15 0.02 . 2 . . . . A 69 VAL HG13 . 30471 1 534 . 1 1 69 69 VAL HG21 H 1 0.84 0.02 . 2 . . . . A 69 VAL HG21 . 30471 1 535 . 1 1 69 69 VAL HG22 H 1 0.84 0.02 . 2 . . . . A 69 VAL HG22 . 30471 1 536 . 1 1 69 69 VAL HG23 H 1 0.84 0.02 . 2 . . . . A 69 VAL HG23 . 30471 1 537 . 1 1 69 69 VAL C C 13 175.8 0.2 . 1 . . . . A 69 VAL C . 30471 1 538 . 1 1 69 69 VAL CA C 13 60.7 0.2 . 1 . . . . A 69 VAL CA . 30471 1 539 . 1 1 69 69 VAL CB C 13 34.9 0.2 . 1 . . . . A 69 VAL CB . 30471 1 540 . 1 1 69 69 VAL N N 15 123.1 0.1 . 1 . . . . A 69 VAL N . 30471 1 541 . 1 1 70 70 ARG H H 1 8.82 0.02 . 1 . . . . A 70 ARG H . 30471 1 542 . 1 1 70 70 ARG HA H 1 5.00 0.02 . 1 . . . . A 70 ARG HA . 30471 1 543 . 1 1 70 70 ARG HB2 H 1 1.83 0.02 . 2 . . . . A 70 ARG HB2 . 30471 1 544 . 1 1 70 70 ARG HB3 H 1 1.83 0.02 . 2 . . . . A 70 ARG HB3 . 30471 1 545 . 1 1 70 70 ARG HG2 H 1 1.43 0.02 . 2 . . . . A 70 ARG HG2 . 30471 1 546 . 1 1 70 70 ARG HG3 H 1 1.43 0.02 . 2 . . . . A 70 ARG HG3 . 30471 1 547 . 1 1 70 70 ARG HD2 H 1 3.16 0.02 . 2 . . . . A 70 ARG HD2 . 30471 1 548 . 1 1 70 70 ARG HD3 H 1 3.16 0.02 . 2 . . . . A 70 ARG HD3 . 30471 1 549 . 1 1 70 70 ARG C C 13 174.3 0.2 . 1 . . . . A 70 ARG C . 30471 1 550 . 1 1 70 70 ARG CA C 13 55.1 0.2 . 1 . . . . A 70 ARG CA . 30471 1 551 . 1 1 70 70 ARG CB C 13 34.6 0.2 . 1 . . . . A 70 ARG CB . 30471 1 552 . 1 1 70 70 ARG N N 15 123.6 0.1 . 1 . . . . A 70 ARG N . 30471 1 553 . 1 1 71 71 TYR H H 1 9.31 0.02 . 1 . . . . A 71 TYR H . 30471 1 554 . 1 1 71 71 TYR HA H 1 5.74 0.02 . 1 . . . . A 71 TYR HA . 30471 1 555 . 1 1 71 71 TYR HB2 H 1 2.66 0.02 . 2 . . . . A 71 TYR HB2 . 30471 1 556 . 1 1 71 71 TYR HB3 H 1 2.66 0.02 . 2 . . . . A 71 TYR HB3 . 30471 1 557 . 1 1 71 71 TYR C C 13 174.7 0.2 . 1 . . . . A 71 TYR C . 30471 1 558 . 1 1 71 71 TYR CA C 13 56.9 0.2 . 1 . . . . A 71 TYR CA . 30471 1 559 . 1 1 71 71 TYR CB C 13 41.3 0.2 . 1 . . . . A 71 TYR CB . 30471 1 560 . 1 1 72 72 ASP H H 1 8.47 0.02 . 1 . . . . A 72 ASP H . 30471 1 561 . 1 1 72 72 ASP HA H 1 4.44 0.02 . 1 . . . . A 72 ASP HA . 30471 1 562 . 1 1 72 72 ASP HB2 H 1 3.08 0.02 . 2 . . . . A 72 ASP HB2 . 30471 1 563 . 1 1 72 72 ASP HB3 H 1 3.08 0.02 . 2 . . . . A 72 ASP HB3 . 30471 1 564 . 1 1 72 72 ASP C C 13 175.9 0.2 . 1 . . . . A 72 ASP C . 30471 1 565 . 1 1 72 72 ASP CA C 13 52.7 0.2 . 1 . . . . A 72 ASP CA . 30471 1 566 . 1 1 72 72 ASP CB C 13 41.9 0.2 . 1 . . . . A 72 ASP CB . 30471 1 567 . 1 1 72 72 ASP N N 15 128.2 0.1 . 1 . . . . A 72 ASP N . 30471 1 568 . 1 1 73 73 GLY HA2 H 1 4.45 0.02 . 2 . . . . A 73 GLY HA2 . 30471 1 569 . 1 1 73 73 GLY HA3 H 1 3.20 0.02 . 2 . . . . A 73 GLY HA3 . 30471 1 570 . 1 1 73 73 GLY C C 13 174.6 0.02 . 1 . . . . A 73 GLY C . 30471 1 571 . 1 1 73 73 GLY CA C 13 46.2 0.02 . 1 . . . . A 73 GLY CA . 30471 1 572 . 1 1 74 74 ILE H H 1 8.21 0.02 . 1 . . . . A 74 ILE H . 30471 1 573 . 1 1 74 74 ILE HA H 1 4.01 0.02 . 1 . . . . A 74 ILE HA . 30471 1 574 . 1 1 74 74 ILE HB H 1 1.6 0.02 . 1 . . . . A 74 ILE HB . 30471 1 575 . 1 1 74 74 ILE HG12 H 1 1.21 0.02 . 2 . . . . A 74 ILE HG12 . 30471 1 576 . 1 1 74 74 ILE HG13 H 1 1.21 0.02 . 2 . . . . A 74 ILE HG13 . 30471 1 577 . 1 1 74 74 ILE HG21 H 1 0.72 0.02 . 1 . . . . A 74 ILE HG21 . 30471 1 578 . 1 1 74 74 ILE HG22 H 1 0.72 0.02 . 1 . . . . A 74 ILE HG22 . 30471 1 579 . 1 1 74 74 ILE HG23 H 1 0.72 0.02 . 1 . . . . A 74 ILE HG23 . 30471 1 580 . 1 1 74 74 ILE HD11 H 1 0.20 0.02 . 1 . . . . A 74 ILE HD11 . 30471 1 581 . 1 1 74 74 ILE HD12 H 1 0.20 0.02 . 1 . . . . A 74 ILE HD12 . 30471 1 582 . 1 1 74 74 ILE HD13 H 1 0.20 0.02 . 1 . . . . A 74 ILE HD13 . 30471 1 583 . 1 1 74 74 ILE C C 13 173.8 0.2 . 1 . . . . A 74 ILE C . 30471 1 584 . 1 1 74 74 ILE CA C 13 60.9 0.2 . 1 . . . . A 74 ILE CA . 30471 1 585 . 1 1 74 74 ILE CB C 13 39.6 0.2 . 1 . . . . A 74 ILE CB . 30471 1 586 . 1 1 74 74 ILE N N 15 124.6 0.1 . 1 . . . . A 74 ILE N . 30471 1 587 . 1 1 75 75 HIS H H 1 8.87 0.02 . 1 . . . . A 75 HIS H . 30471 1 588 . 1 1 75 75 HIS HA H 1 5.14 0.02 . 1 . . . . A 75 HIS HA . 30471 1 589 . 1 1 75 75 HIS HB2 H 1 3.33 0.02 . 2 . . . . A 75 HIS HB2 . 30471 1 590 . 1 1 75 75 HIS HB3 H 1 3.55 0.02 . 2 . . . . A 75 HIS HB3 . 30471 1 591 . 1 1 75 75 HIS HD1 H 1 7.03 0.02 . 1 . . . . A 75 HIS HD1 . 30471 1 592 . 1 1 75 75 HIS HD2 H 1 7.03 0.02 . 1 . . . . A 75 HIS HD2 . 30471 1 593 . 1 1 75 75 HIS C C 13 174.6 0.2 . 1 . . . . A 75 HIS C . 30471 1 594 . 1 1 75 75 HIS CA C 13 57.8 0.2 . 1 . . . . A 75 HIS CA . 30471 1 595 . 1 1 75 75 HIS CB C 13 32.3 0.2 . 1 . . . . A 75 HIS CB . 30471 1 596 . 1 1 75 75 HIS N N 15 124.3 0.1 . 1 . . . . A 75 HIS N . 30471 1 597 . 1 1 76 76 TYR H H 1 9.23 0.02 . 1 . . . . A 76 TYR H . 30471 1 598 . 1 1 76 76 TYR HA H 1 5.31 0.02 . 1 . . . . A 76 TYR HA . 30471 1 599 . 1 1 76 76 TYR HB2 H 1 3.20 0.02 . 2 . . . . A 76 TYR HB2 . 30471 1 600 . 1 1 76 76 TYR HB3 H 1 3.20 0.02 . 2 . . . . A 76 TYR HB3 . 30471 1 601 . 1 1 76 76 TYR HD1 H 1 7.02 0.02 . 3 . . . . A 76 TYR HD1 . 30471 1 602 . 1 1 76 76 TYR HD2 H 1 7.02 0.02 . 3 . . . . A 76 TYR HD2 . 30471 1 603 . 1 1 76 76 TYR C C 13 174.8 0.2 . 1 . . . . A 76 TYR C . 30471 1 604 . 1 1 76 76 TYR CA C 13 57.5 0.2 . 1 . . . . A 76 TYR CA . 30471 1 605 . 1 1 76 76 TYR CB C 13 41.6 0.2 . 1 . . . . A 76 TYR CB . 30471 1 606 . 1 1 76 76 TYR N N 15 120.7 0.1 . 1 . . . . A 76 TYR N . 30471 1 607 . 1 1 77 77 LEU H H 1 8.05 0.02 . 1 . . . . A 77 LEU H . 30471 1 608 . 1 1 77 77 LEU HA H 1 4.85 0.02 . 1 . . . . A 77 LEU HA . 30471 1 609 . 1 1 77 77 LEU HB2 H 1 1.44 0.02 . 2 . . . . A 77 LEU HB2 . 30471 1 610 . 1 1 77 77 LEU HB3 H 1 1.44 0.02 . 2 . . . . A 77 LEU HB3 . 30471 1 611 . 1 1 77 77 LEU HD11 H 1 0.14 0.02 . 2 . . . . A 77 LEU HD11 . 30471 1 612 . 1 1 77 77 LEU HD12 H 1 0.14 0.02 . 2 . . . . A 77 LEU HD12 . 30471 1 613 . 1 1 77 77 LEU HD13 H 1 0.14 0.02 . 2 . . . . A 77 LEU HD13 . 30471 1 614 . 1 1 77 77 LEU HD21 H 1 -0.8 0.02 . 2 . . . . A 77 LEU HD21 . 30471 1 615 . 1 1 77 77 LEU HD22 H 1 -0.8 0.02 . 2 . . . . A 77 LEU HD22 . 30471 1 616 . 1 1 77 77 LEU HD23 H 1 -0.8 0.02 . 2 . . . . A 77 LEU HD23 . 30471 1 617 . 1 1 77 77 LEU C C 13 174.0 0.2 . 1 . . . . A 77 LEU C . 30471 1 618 . 1 1 77 77 LEU CA C 13 53.5 0.2 . 1 . . . . A 77 LEU CA . 30471 1 619 . 1 1 77 77 LEU CB C 13 42.8 0.2 . 1 . . . . A 77 LEU CB . 30471 1 620 . 1 1 77 77 LEU N N 15 123.0 0.1 . 1 . . . . A 77 LEU N . 30471 1 621 . 1 1 78 78 ASP H H 1 8.95 0.02 . 1 . . . . A 78 ASP H . 30471 1 622 . 1 1 78 78 ASP HA H 1 4.78 0.02 . 1 . . . . A 78 ASP HA . 30471 1 623 . 1 1 78 78 ASP HB2 H 1 2.67 0.02 . 2 . . . . A 78 ASP HB2 . 30471 1 624 . 1 1 78 78 ASP HB3 H 1 2.32 0.02 . 2 . . . . A 78 ASP HB3 . 30471 1 625 . 1 1 78 78 ASP C C 13 174.7 0.2 . 1 . . . . A 78 ASP C . 30471 1 626 . 1 1 78 78 ASP CA C 13 52.5 0.2 . 1 . . . . A 78 ASP CA . 30471 1 627 . 1 1 78 78 ASP CB C 13 43.0 0.2 . 1 . . . . A 78 ASP CB . 30471 1 628 . 1 1 78 78 ASP N N 15 126.0 0.1 . 1 . . . . A 78 ASP N . 30471 1 629 . 1 1 79 79 ILE H H 1 9.27 0.02 . 1 . . . . A 79 ILE H . 30471 1 630 . 1 1 79 79 ILE HA H 1 4.62 0.02 . 1 . . . . A 79 ILE HA . 30471 1 631 . 1 1 79 79 ILE HB H 1 1.74 0.02 . 1 . . . . A 79 ILE HB . 30471 1 632 . 1 1 79 79 ILE HG12 H 1 1.07 0.02 . 2 . . . . A 79 ILE HG12 . 30471 1 633 . 1 1 79 79 ILE HG13 H 1 1.07 0.02 . 2 . . . . A 79 ILE HG13 . 30471 1 634 . 1 1 79 79 ILE HG21 H 1 0.80 0.02 . 1 . . . . A 79 ILE HG21 . 30471 1 635 . 1 1 79 79 ILE HG22 H 1 0.80 0.02 . 1 . . . . A 79 ILE HG22 . 30471 1 636 . 1 1 79 79 ILE HG23 H 1 0.80 0.02 . 1 . . . . A 79 ILE HG23 . 30471 1 637 . 1 1 79 79 ILE HD11 H 1 0.61 0.02 . 1 . . . . A 79 ILE HD11 . 30471 1 638 . 1 1 79 79 ILE HD12 H 1 0.61 0.02 . 1 . . . . A 79 ILE HD12 . 30471 1 639 . 1 1 79 79 ILE HD13 H 1 0.61 0.02 . 1 . . . . A 79 ILE HD13 . 30471 1 640 . 1 1 79 79 ILE C C 13 174.8 0.2 . 1 . . . . A 79 ILE C . 30471 1 641 . 1 1 79 79 ILE CA C 13 61.0 0.2 . 1 . . . . A 79 ILE CA . 30471 1 642 . 1 1 79 79 ILE CB C 13 38.9 0.2 . 1 . . . . A 79 ILE CB . 30471 1 643 . 1 1 79 79 ILE N N 15 122.8 0.1 . 1 . . . . A 79 ILE N . 30471 1 644 . 1 1 80 80 VAL H H 1 8.79 0.02 . 1 . . . . A 80 VAL H . 30471 1 645 . 1 1 80 80 VAL HA H 1 4.11 0.02 . 1 . . . . A 80 VAL HA . 30471 1 646 . 1 1 80 80 VAL HB H 1 1.93 0.02 . 1 . . . . A 80 VAL HB . 30471 1 647 . 1 1 80 80 VAL HG11 H 1 0.84 0.02 . 2 . . . . A 80 VAL HG11 . 30471 1 648 . 1 1 80 80 VAL HG12 H 1 0.84 0.02 . 2 . . . . A 80 VAL HG12 . 30471 1 649 . 1 1 80 80 VAL HG13 H 1 0.84 0.02 . 2 . . . . A 80 VAL HG13 . 30471 1 650 . 1 1 80 80 VAL HG21 H 1 0.84 0.02 . 2 . . . . A 80 VAL HG21 . 30471 1 651 . 1 1 80 80 VAL HG22 H 1 0.84 0.02 . 2 . . . . A 80 VAL HG22 . 30471 1 652 . 1 1 80 80 VAL HG23 H 1 0.84 0.02 . 2 . . . . A 80 VAL HG23 . 30471 1 653 . 1 1 80 80 VAL C C 13 175.2 0.2 . 1 . . . . A 80 VAL C . 30471 1 654 . 1 1 80 80 VAL CA C 13 61.6 0.2 . 1 . . . . A 80 VAL CA . 30471 1 655 . 1 1 80 80 VAL CB C 13 33.1 0.2 . 1 . . . . A 80 VAL CB . 30471 1 656 . 1 1 80 80 VAL N N 15 126.4 0.1 . 1 . . . . A 80 VAL N . 30471 1 657 . 1 1 81 81 ASP H H 1 8.05 0.02 . 1 . . . . A 81 ASP H . 30471 1 658 . 1 1 81 81 ASP HA H 1 3.91 0.02 . 1 . . . . A 81 ASP HA . 30471 1 659 . 1 1 81 81 ASP HB2 H 1 2.25 0.02 . 2 . . . . A 81 ASP HB2 . 30471 1 660 . 1 1 81 81 ASP HB3 H 1 2.25 0.02 . 2 . . . . A 81 ASP HB3 . 30471 1 661 . 1 1 81 81 ASP C C 13 175.4 0.2 . 1 . . . . A 81 ASP C . 30471 1 662 . 1 1 81 81 ASP CA C 13 53.8 0.2 . 1 . . . . A 81 ASP CA . 30471 1 663 . 1 1 81 81 ASP CB C 13 38.7 0.2 . 1 . . . . A 81 ASP CB . 30471 1 664 . 1 1 81 81 ASP N N 15 122.3 0.1 . 1 . . . . A 81 ASP N . 30471 1 665 . 1 1 82 82 CYS H H 1 7.95 0.02 . 1 . . . . A 82 CYS H . 30471 1 666 . 1 1 82 82 CYS HA H 1 4.00 0.02 . 1 . . . . A 82 CYS HA . 30471 1 667 . 1 1 82 82 CYS HB2 H 1 2.75 0.02 . 2 . . . . A 82 CYS HB2 . 30471 1 668 . 1 1 82 82 CYS HB3 H 1 2.75 0.02 . 2 . . . . A 82 CYS HB3 . 30471 1 669 . 1 1 82 82 CYS C C 13 175.7 0.2 . 1 . . . . A 82 CYS C . 30471 1 670 . 1 1 82 82 CYS CA C 13 61.3 0.2 . 1 . . . . A 82 CYS CA . 30471 1 671 . 1 1 82 82 CYS CB C 13 28.7 0.2 . 1 . . . . A 82 CYS CB . 30471 1 672 . 1 1 82 82 CYS N N 15 113.9 0.1 . 1 . . . . A 82 CYS N . 30471 1 673 . 1 1 83 83 LYS H H 1 9.32 0.02 . 1 . . . . A 83 LYS H . 30471 1 674 . 1 1 83 83 LYS HA H 1 4.62 0.02 . 1 . . . . A 83 LYS HA . 30471 1 675 . 1 1 83 83 LYS HB2 H 1 1.74 0.02 . 2 . . . . A 83 LYS HB2 . 30471 1 676 . 1 1 83 83 LYS HB3 H 1 1.74 0.02 . 2 . . . . A 83 LYS HB3 . 30471 1 677 . 1 1 83 83 LYS HG2 H 1 1.54 0.02 . 2 . . . . A 83 LYS HG2 . 30471 1 678 . 1 1 83 83 LYS HG3 H 1 1.54 0.02 . 2 . . . . A 83 LYS HG3 . 30471 1 679 . 1 1 83 83 LYS HD2 H 1 1.64 0.02 . 2 . . . . A 83 LYS HD2 . 30471 1 680 . 1 1 83 83 LYS HD3 H 1 1.64 0.02 . 2 . . . . A 83 LYS HD3 . 30471 1 681 . 1 1 83 83 LYS HE2 H 1 3.00 0.02 . 2 . . . . A 83 LYS HE2 . 30471 1 682 . 1 1 83 83 LYS HE3 H 1 3.00 0.02 . 2 . . . . A 83 LYS HE3 . 30471 1 683 . 1 1 83 83 LYS C C 13 178.3 0.2 . 1 . . . . A 83 LYS C . 30471 1 684 . 1 1 83 83 LYS CA C 13 52.7 0.2 . 1 . . . . A 83 LYS CA . 30471 1 685 . 1 1 83 83 LYS CB C 13 34.9 0.2 . 1 . . . . A 83 LYS CB . 30471 1 686 . 1 1 83 83 LYS N N 15 122.8 0.1 . 1 . . . . A 83 LYS N . 30471 1 687 . 1 1 84 84 SER H H 1 9.36 0.02 . 1 . . . . A 84 SER H . 30471 1 688 . 1 1 84 84 SER HA H 1 4.76 0.02 . 1 . . . . A 84 SER HA . 30471 1 689 . 1 1 84 84 SER HB2 H 1 3.80 0.02 . 2 . . . . A 84 SER HB2 . 30471 1 690 . 1 1 84 84 SER HB3 H 1 3.80 0.02 . 2 . . . . A 84 SER HB3 . 30471 1 691 . 1 1 84 84 SER C C 13 176.1 0.2 . 1 . . . . A 84 SER C . 30471 1 692 . 1 1 84 84 SER CA C 13 62.1 0.2 . 1 . . . . A 84 SER CA . 30471 1 693 . 1 1 84 84 SER CB C 13 62.1 0.2 . 1 . . . . A 84 SER CB . 30471 1 694 . 1 1 84 84 SER N N 15 117.9 0.1 . 1 . . . . A 84 SER N . 30471 1 695 . 1 1 85 85 TYR H H 1 6.49 0.02 . 1 . . . . A 85 TYR H . 30471 1 696 . 1 1 85 85 TYR HA H 1 4.70 0.02 . 1 . . . . A 85 TYR HA . 30471 1 697 . 1 1 85 85 TYR HB2 H 1 2.92 0.02 . 2 . . . . A 85 TYR HB2 . 30471 1 698 . 1 1 85 85 TYR HB3 H 1 3.42 0.02 . 2 . . . . A 85 TYR HB3 . 30471 1 699 . 1 1 85 85 TYR C C 13 176.2 0.2 . 1 . . . . A 85 TYR C . 30471 1 700 . 1 1 85 85 TYR CA C 13 56.9 0.2 . 1 . . . . A 85 TYR CA . 30471 1 701 . 1 1 85 85 TYR CB C 13 36.4 0.2 . 1 . . . . A 85 TYR CB . 30471 1 702 . 1 1 85 85 TYR N N 15 114.6 0.1 . 1 . . . . A 85 TYR N . 30471 1 703 . 1 1 86 86 ASP H H 1 8.10 0.02 . 1 . . . . A 86 ASP H . 30471 1 704 . 1 1 86 86 ASP HA H 1 4.68 0.02 . 1 . . . . A 86 ASP HA . 30471 1 705 . 1 1 86 86 ASP HB2 H 1 2.74 0.02 . 2 . . . . A 86 ASP HB2 . 30471 1 706 . 1 1 86 86 ASP HB3 H 1 2.74 0.02 . 2 . . . . A 86 ASP HB3 . 30471 1 707 . 1 1 86 86 ASP C C 13 173.9 0.2 . 1 . . . . A 86 ASP C . 30471 1 708 . 1 1 86 86 ASP CA C 13 56.2 0.2 . 1 . . . . A 86 ASP CA . 30471 1 709 . 1 1 86 86 ASP CB C 13 41.3 0.2 . 1 . . . . A 86 ASP CB . 30471 1 710 . 1 1 86 86 ASP N N 15 123.3 0.1 . 1 . . . . A 86 ASP N . 30471 1 711 . 1 1 87 87 THR H H 1 7.00 0.02 . 1 . . . . A 87 THR H . 30471 1 712 . 1 1 87 87 THR HA H 1 3.84 0.02 . 1 . . . . A 87 THR HA . 30471 1 713 . 1 1 87 87 THR HB H 1 4.19 0.02 . 1 . . . . A 87 THR HB . 30471 1 714 . 1 1 87 87 THR HG21 H 1 1.48 0.02 . 1 . . . . A 87 THR HG21 . 30471 1 715 . 1 1 87 87 THR HG22 H 1 1.48 0.02 . 1 . . . . A 87 THR HG22 . 30471 1 716 . 1 1 87 87 THR HG23 H 1 1.48 0.02 . 1 . . . . A 87 THR HG23 . 30471 1 717 . 1 1 87 87 THR C C 13 175.0 0.2 . 1 . . . . A 87 THR C . 30471 1 718 . 1 1 87 87 THR CA C 13 64.3 0.2 . 1 . . . . A 87 THR CA . 30471 1 719 . 1 1 87 87 THR CB C 13 70.7 0.2 . 1 . . . . A 87 THR CB . 30471 1 720 . 1 1 87 87 THR N N 15 112.1 0.1 . 1 . . . . A 87 THR N . 30471 1 721 . 1 1 88 88 GLY H H 1 9.23 0.02 . 1 . . . . A 88 GLY H . 30471 1 722 . 1 1 88 88 GLY HA2 H 1 5.30 0.02 . 2 . . . . A 88 GLY HA2 . 30471 1 723 . 1 1 88 88 GLY HA3 H 1 3.70 0.02 . 2 . . . . A 88 GLY HA3 . 30471 1 724 . 1 1 88 88 GLY C C 13 172.5 0.2 . 1 . . . . A 88 GLY C . 30471 1 725 . 1 1 88 88 GLY CA C 13 46.0 0.2 . 1 . . . . A 88 GLY CA . 30471 1 726 . 1 1 88 88 GLY N N 15 114.9 0.1 . 1 . . . . A 88 GLY N . 30471 1 727 . 1 1 89 89 GLU H H 1 8.56 0.02 . 1 . . . . A 89 GLU H . 30471 1 728 . 1 1 89 89 GLU HA H 1 4.96 0.02 . 1 . . . . A 89 GLU HA . 30471 1 729 . 1 1 89 89 GLU HB2 H 1 1.87 0.02 . 2 . . . . A 89 GLU HB2 . 30471 1 730 . 1 1 89 89 GLU HB3 H 1 1.87 0.02 . 2 . . . . A 89 GLU HB3 . 30471 1 731 . 1 1 89 89 GLU HG2 H 1 2.11 0.02 . 2 . . . . A 89 GLU HG2 . 30471 1 732 . 1 1 89 89 GLU HG3 H 1 2.11 0.02 . 2 . . . . A 89 GLU HG3 . 30471 1 733 . 1 1 89 89 GLU C C 13 175.0 0.2 . 1 . . . . A 89 GLU C . 30471 1 734 . 1 1 89 89 GLU CA C 13 55.2 0.2 . 1 . . . . A 89 GLU CA . 30471 1 735 . 1 1 89 89 GLU CB C 13 34.4 0.2 . 1 . . . . A 89 GLU CB . 30471 1 736 . 1 1 89 89 GLU N N 15 125.0 0.1 . 1 . . . . A 89 GLU N . 30471 1 737 . 1 1 90 90 VAL H H 1 9.18 0.02 . 1 . . . . A 90 VAL H . 30471 1 738 . 1 1 90 90 VAL HA H 1 4.90 0.02 . 1 . . . . A 90 VAL HA . 30471 1 739 . 1 1 90 90 VAL HB H 1 1.40 0.02 . 1 . . . . A 90 VAL HB . 30471 1 740 . 1 1 90 90 VAL HG11 H 1 0.61 0.02 . 2 . . . . A 90 VAL HG11 . 30471 1 741 . 1 1 90 90 VAL HG12 H 1 0.61 0.02 . 2 . . . . A 90 VAL HG12 . 30471 1 742 . 1 1 90 90 VAL HG13 H 1 0.61 0.02 . 2 . . . . A 90 VAL HG13 . 30471 1 743 . 1 1 90 90 VAL HG21 H 1 0.31 0.02 . 2 . . . . A 90 VAL HG21 . 30471 1 744 . 1 1 90 90 VAL HG22 H 1 0.31 0.02 . 2 . . . . A 90 VAL HG22 . 30471 1 745 . 1 1 90 90 VAL HG23 H 1 0.31 0.02 . 2 . . . . A 90 VAL HG23 . 30471 1 746 . 1 1 90 90 VAL C C 13 173.7 0.2 . 1 . . . . A 90 VAL C . 30471 1 747 . 1 1 90 90 VAL CA C 13 61.3 0.2 . 1 . . . . A 90 VAL CA . 30471 1 748 . 1 1 90 90 VAL CB C 13 33.1 0.2 . 1 . . . . A 90 VAL CB . 30471 1 749 . 1 1 90 90 VAL N N 15 129.5 0.1 . 1 . . . . A 90 VAL N . 30471 1 750 . 1 1 91 91 LYS H H 1 9.08 0.02 . 1 . . . . A 91 LYS H . 30471 1 751 . 1 1 91 91 LYS HA H 1 5.44 0.02 . 1 . . . . A 91 LYS HA . 30471 1 752 . 1 1 91 91 LYS HB2 H 1 1.80 0.02 . 2 . . . . A 91 LYS HB2 . 30471 1 753 . 1 1 91 91 LYS HB3 H 1 1.80 0.02 . 2 . . . . A 91 LYS HB3 . 30471 1 754 . 1 1 91 91 LYS HG2 H 1 1.44 0.02 . 2 . . . . A 91 LYS HG2 . 30471 1 755 . 1 1 91 91 LYS HG3 H 1 1.44 0.02 . 2 . . . . A 91 LYS HG3 . 30471 1 756 . 1 1 91 91 LYS HD2 H 1 1.72 0.02 . 2 . . . . A 91 LYS HD2 . 30471 1 757 . 1 1 91 91 LYS HD3 H 1 1.72 0.02 . 2 . . . . A 91 LYS HD3 . 30471 1 758 . 1 1 91 91 LYS HE2 H 1 3.00 0.02 . 2 . . . . A 91 LYS HE2 . 30471 1 759 . 1 1 91 91 LYS HE3 H 1 3.00 0.02 . 2 . . . . A 91 LYS HE3 . 30471 1 760 . 1 1 91 91 LYS C C 13 173.7 0.2 . 1 . . . . A 91 LYS C . 30471 1 761 . 1 1 91 91 LYS CA C 13 53.3 0.2 . 1 . . . . A 91 LYS CA . 30471 1 762 . 1 1 91 91 LYS CB C 13 37.1 0.2 . 1 . . . . A 91 LYS CB . 30471 1 763 . 1 1 91 91 LYS N N 15 128.6 0.1 . 1 . . . . A 91 LYS N . 30471 1 764 . 1 1 92 92 VAL H H 1 8.94 0.02 . 1 . . . . A 92 VAL H . 30471 1 765 . 1 1 92 92 VAL HA H 1 5.13 0.02 . 1 . . . . A 92 VAL HA . 30471 1 766 . 1 1 92 92 VAL HB H 1 2.20 0.02 . 1 . . . . A 92 VAL HB . 30471 1 767 . 1 1 92 92 VAL HG11 H 1 1.24 0.02 . 2 . . . . A 92 VAL HG11 . 30471 1 768 . 1 1 92 92 VAL HG12 H 1 1.24 0.02 . 2 . . . . A 92 VAL HG12 . 30471 1 769 . 1 1 92 92 VAL HG13 H 1 1.24 0.02 . 2 . . . . A 92 VAL HG13 . 30471 1 770 . 1 1 92 92 VAL HG21 H 1 1.24 0.02 . 2 . . . . A 92 VAL HG21 . 30471 1 771 . 1 1 92 92 VAL HG22 H 1 1.24 0.02 . 2 . . . . A 92 VAL HG22 . 30471 1 772 . 1 1 92 92 VAL HG23 H 1 1.24 0.02 . 2 . . . . A 92 VAL HG23 . 30471 1 773 . 1 1 92 92 VAL C C 13 173.5 0.2 . 1 . . . . A 92 VAL C . 30471 1 774 . 1 1 92 92 VAL CA C 13 58.1 0.2 . 1 . . . . A 92 VAL CA . 30471 1 775 . 1 1 92 92 VAL CB C 13 35.1 0.2 . 1 . . . . A 92 VAL CB . 30471 1 776 . 1 1 92 92 VAL N N 15 125.7 0.1 . 1 . . . . A 92 VAL N . 30471 1 777 . 1 1 93 93 THR H H 1 8.78 0.02 . 1 . . . . A 93 THR H . 30471 1 778 . 1 1 93 93 THR HA H 1 5.24 0.02 . 1 . . . . A 93 THR HA . 30471 1 779 . 1 1 93 93 THR HB H 1 4.06 0.02 . 1 . . . . A 93 THR HB . 30471 1 780 . 1 1 93 93 THR HG21 H 1 1.01 0.02 . 1 . . . . A 93 THR HG21 . 30471 1 781 . 1 1 93 93 THR HG22 H 1 1.01 0.02 . 1 . . . . A 93 THR HG22 . 30471 1 782 . 1 1 93 93 THR HG23 H 1 1.01 0.02 . 1 . . . . A 93 THR HG23 . 30471 1 783 . 1 1 93 93 THR C C 13 172.8 0.2 . 1 . . . . A 93 THR C . 30471 1 784 . 1 1 93 93 THR CA C 13 59.1 0.2 . 1 . . . . A 93 THR CA . 30471 1 785 . 1 1 93 93 THR CB C 13 71.8 0.2 . 1 . . . . A 93 THR CB . 30471 1 786 . 1 1 93 93 THR N N 15 116.6 0.1 . 1 . . . . A 93 THR N . 30471 1 787 . 1 1 94 94 ALA H H 1 8.71 0.02 . 1 . . . . A 94 ALA H . 30471 1 788 . 1 1 94 94 ALA HA H 1 5.20 0.02 . 1 . . . . A 94 ALA HA . 30471 1 789 . 1 1 94 94 ALA HB1 H 1 0.91 0.02 . 1 . . . . A 94 ALA HB1 . 30471 1 790 . 1 1 94 94 ALA HB2 H 1 0.91 0.02 . 1 . . . . A 94 ALA HB2 . 30471 1 791 . 1 1 94 94 ALA HB3 H 1 0.91 0.02 . 1 . . . . A 94 ALA HB3 . 30471 1 792 . 1 1 94 94 ALA C C 13 175.1 0.2 . 1 . . . . A 94 ALA C . 30471 1 793 . 1 1 94 94 ALA CA C 13 49.7 0.2 . 1 . . . . A 94 ALA CA . 30471 1 794 . 1 1 94 94 ALA CB C 13 21.9 0.2 . 1 . . . . A 94 ALA CB . 30471 1 795 . 1 1 94 94 ALA N N 15 123.0 0.1 . 1 . . . . A 94 ALA N . 30471 1 796 . 1 1 95 95 GLU H H 1 8.51 0.02 . 1 . . . . A 95 GLU H . 30471 1 797 . 1 1 95 95 GLU HA H 1 5.39 0.02 . 1 . . . . A 95 GLU HA . 30471 1 798 . 1 1 95 95 GLU HB2 H 1 1.88 0.02 . 2 . . . . A 95 GLU HB2 . 30471 1 799 . 1 1 95 95 GLU HB3 H 1 1.88 0.02 . 2 . . . . A 95 GLU HB3 . 30471 1 800 . 1 1 95 95 GLU HG2 H 1 2.12 0.02 . 2 . . . . A 95 GLU HG2 . 30471 1 801 . 1 1 95 95 GLU HG3 H 1 2.12 0.02 . 2 . . . . A 95 GLU HG3 . 30471 1 802 . 1 1 95 95 GLU C C 13 174.6 0.2 . 1 . . . . A 95 GLU C . 30471 1 803 . 1 1 95 95 GLU CA C 13 54.6 0.2 . 1 . . . . A 95 GLU CA . 30471 1 804 . 1 1 95 95 GLU CB C 13 34.9 0.2 . 1 . . . . A 95 GLU CB . 30471 1 805 . 1 1 95 95 GLU N N 15 120.8 0.1 . 1 . . . . A 95 GLU N . 30471 1 806 . 1 1 96 96 ASN H H 1 9.21 0.02 . 1 . . . . A 96 ASN H . 30471 1 807 . 1 1 96 96 ASN HA H 1 4.81 0.02 . 1 . . . . A 96 ASN HA . 30471 1 808 . 1 1 96 96 ASN HB2 H 1 3.13 0.02 . 2 . . . . A 96 ASN HB2 . 30471 1 809 . 1 1 96 96 ASN HB3 H 1 3.13 0.02 . 2 . . . . A 96 ASN HB3 . 30471 1 810 . 1 1 96 96 ASN C C 13 173.7 0.2 . 1 . . . . A 96 ASN C . 30471 1 811 . 1 1 96 96 ASN CA C 13 51.9 0.2 . 1 . . . . A 96 ASN CA . 30471 1 812 . 1 1 96 96 ASN CB C 13 39.6 0.2 . 1 . . . . A 96 ASN CB . 30471 1 813 . 1 1 96 96 ASN N N 15 126.2 0.1 . 1 . . . . A 96 ASN N . 30471 1 814 . 1 1 97 97 PRO HA H 1 4.31 0.02 . 1 . . . . A 97 PRO HA . 30471 1 815 . 1 1 97 97 PRO HB2 H 1 1.81 0.02 . 2 . . . . A 97 PRO HB2 . 30471 1 816 . 1 1 97 97 PRO HB3 H 1 1.81 0.02 . 2 . . . . A 97 PRO HB3 . 30471 1 817 . 1 1 97 97 PRO HG2 H 1 2.46 0.02 . 2 . . . . A 97 PRO HG2 . 30471 1 818 . 1 1 97 97 PRO HG3 H 1 2.46 0.02 . 2 . . . . A 97 PRO HG3 . 30471 1 819 . 1 1 97 97 PRO HD2 H 1 3.81 0.02 . 2 . . . . A 97 PRO HD2 . 30471 1 820 . 1 1 97 97 PRO HD3 H 1 3.81 0.02 . 2 . . . . A 97 PRO HD3 . 30471 1 821 . 1 1 97 97 PRO C C 13 176.8 0.2 . 1 . . . . A 97 PRO C . 30471 1 822 . 1 1 97 97 PRO CA C 13 65.9 0.2 . 1 . . . . A 97 PRO CA . 30471 1 823 . 1 1 97 97 PRO CB C 13 31.5 0.2 . 1 . . . . A 97 PRO CB . 30471 1 824 . 1 1 98 98 GLU H H 1 7.72 0.02 . 1 . . . . A 98 GLU H . 30471 1 825 . 1 1 98 98 GLU HA H 1 4.37 0.02 . 1 . . . . A 98 GLU HA . 30471 1 826 . 1 1 98 98 GLU HB2 H 1 1.92 0.02 . 2 . . . . A 98 GLU HB2 . 30471 1 827 . 1 1 98 98 GLU HB3 H 1 1.92 0.02 . 2 . . . . A 98 GLU HB3 . 30471 1 828 . 1 1 98 98 GLU HG2 H 1 2.22 0.02 . 2 . . . . A 98 GLU HG2 . 30471 1 829 . 1 1 98 98 GLU HG3 H 1 2.22 0.02 . 2 . . . . A 98 GLU HG3 . 30471 1 830 . 1 1 98 98 GLU C C 13 176.8 0.2 . 1 . . . . A 98 GLU C . 30471 1 831 . 1 1 98 98 GLU CA C 13 55.1 0.2 . 1 . . . . A 98 GLU CA . 30471 1 832 . 1 1 98 98 GLU CB C 13 30.4 0.2 . 1 . . . . A 98 GLU CB . 30471 1 833 . 1 1 98 98 GLU N N 15 112.0 0.1 . 1 . . . . A 98 GLU N . 30471 1 834 . 1 1 99 99 GLY H H 1 7.88 0.02 . 1 . . . . A 99 GLY H . 30471 1 835 . 1 1 99 99 GLY HA2 H 1 4.00 0.02 . 2 . . . . A 99 GLY HA2 . 30471 1 836 . 1 1 99 99 GLY HA3 H 1 4.33 0.02 . 2 . . . . A 99 GLY HA3 . 30471 1 837 . 1 1 99 99 GLY C C 13 171.4 0.2 . 1 . . . . A 99 GLY C . 30471 1 838 . 1 1 99 99 GLY CA C 13 45.9 0.2 . 1 . . . . A 99 GLY CA . 30471 1 839 . 1 1 99 99 GLY N N 15 106.4 0.1 . 1 . . . . A 99 GLY N . 30471 1 840 . 1 1 100 100 VAL H H 1 8.31 0.02 . 1 . . . . A 100 VAL H . 30471 1 841 . 1 1 100 100 VAL HA H 1 5.23 0.02 . 1 . . . . A 100 VAL HA . 30471 1 842 . 1 1 100 100 VAL HB H 1 1.95 0.02 . 1 . . . . A 100 VAL HB . 30471 1 843 . 1 1 100 100 VAL HG11 H 1 0.85 0.02 . 2 . . . . A 100 VAL HG11 . 30471 1 844 . 1 1 100 100 VAL HG12 H 1 0.85 0.02 . 2 . . . . A 100 VAL HG12 . 30471 1 845 . 1 1 100 100 VAL HG13 H 1 0.85 0.02 . 2 . . . . A 100 VAL HG13 . 30471 1 846 . 1 1 100 100 VAL HG21 H 1 0.85 0.02 . 2 . . . . A 100 VAL HG21 . 30471 1 847 . 1 1 100 100 VAL HG22 H 1 0.85 0.02 . 2 . . . . A 100 VAL HG22 . 30471 1 848 . 1 1 100 100 VAL HG23 H 1 0.85 0.02 . 2 . . . . A 100 VAL HG23 . 30471 1 849 . 1 1 100 100 VAL C C 13 174.3 0.2 . 1 . . . . A 100 VAL C . 30471 1 850 . 1 1 100 100 VAL CA C 13 59.7 0.2 . 1 . . . . A 100 VAL CA . 30471 1 851 . 1 1 100 100 VAL CB C 13 35.6 0.2 . 1 . . . . A 100 VAL CB . 30471 1 852 . 1 1 100 100 VAL N N 15 115.7 0.1 . 1 . . . . A 100 VAL N . 30471 1 853 . 1 1 101 101 ILE H H 1 8.69 0.02 . 1 . . . . A 101 ILE H . 30471 1 854 . 1 1 101 101 ILE HA H 1 4.73 0.02 . 1 . . . . A 101 ILE HA . 30471 1 855 . 1 1 101 101 ILE HB H 1 1.75 0.02 . 1 . . . . A 101 ILE HB . 30471 1 856 . 1 1 101 101 ILE HG12 H 1 1.33 0.02 . 2 . . . . A 101 ILE HG12 . 30471 1 857 . 1 1 101 101 ILE HG13 H 1 1.33 0.02 . 2 . . . . A 101 ILE HG13 . 30471 1 858 . 1 1 101 101 ILE HG21 H 1 0.83 0.02 . 1 . . . . A 101 ILE HG21 . 30471 1 859 . 1 1 101 101 ILE HG22 H 1 0.83 0.02 . 1 . . . . A 101 ILE HG22 . 30471 1 860 . 1 1 101 101 ILE HG23 H 1 0.83 0.02 . 1 . . . . A 101 ILE HG23 . 30471 1 861 . 1 1 101 101 ILE HD11 H 1 0.78 0.02 . 1 . . . . A 101 ILE HD11 . 30471 1 862 . 1 1 101 101 ILE HD12 H 1 0.78 0.02 . 1 . . . . A 101 ILE HD12 . 30471 1 863 . 1 1 101 101 ILE HD13 H 1 0.78 0.02 . 1 . . . . A 101 ILE HD13 . 30471 1 864 . 1 1 101 101 ILE C C 13 171.8 0.2 . 1 . . . . A 101 ILE C . 30471 1 865 . 1 1 101 101 ILE CA C 13 59.3 0.2 . 1 . . . . A 101 ILE CA . 30471 1 866 . 1 1 101 101 ILE CB C 13 42.1 0.2 . 1 . . . . A 101 ILE CB . 30471 1 867 . 1 1 101 101 ILE N N 15 125.2 0.1 . 1 . . . . A 101 ILE N . 30471 1 868 . 1 1 102 102 GLU H H 1 8.12 0.02 . 1 . . . . A 102 GLU H . 30471 1 869 . 1 1 102 102 GLU HA H 1 5.60 0.02 . 1 . . . . A 102 GLU HA . 30471 1 870 . 1 1 102 102 GLU HB2 H 1 1.88 0.02 . 2 . . . . A 102 GLU HB2 . 30471 1 871 . 1 1 102 102 GLU HB3 H 1 1.88 0.02 . 2 . . . . A 102 GLU HB3 . 30471 1 872 . 1 1 102 102 GLU HG2 H 1 2.11 0.02 . 2 . . . . A 102 GLU HG2 . 30471 1 873 . 1 1 102 102 GLU HG3 H 1 2.11 0.02 . 2 . . . . A 102 GLU HG3 . 30471 1 874 . 1 1 102 102 GLU C C 13 174.8 0.2 . 1 . . . . A 102 GLU C . 30471 1 875 . 1 1 102 102 GLU CA C 13 53.7 0.2 . 1 . . . . A 102 GLU CA . 30471 1 876 . 1 1 102 102 GLU CB C 13 34.8 0.2 . 1 . . . . A 102 GLU CB . 30471 1 877 . 1 1 102 102 GLU N N 15 121.3 0.1 . 1 . . . . A 102 GLU N . 30471 1 878 . 1 1 103 103 HIS H H 1 8.73 0.02 . 1 . . . . A 103 HIS H . 30471 1 879 . 1 1 103 103 HIS HA H 1 4.8 0.02 . 1 . . . . A 103 HIS HA . 30471 1 880 . 1 1 103 103 HIS HB2 H 1 2.60 0.02 . 2 . . . . A 103 HIS HB2 . 30471 1 881 . 1 1 103 103 HIS HB3 H 1 3.00 0.02 . 2 . . . . A 103 HIS HB3 . 30471 1 882 . 1 1 103 103 HIS C C 13 172.8 0.2 . 1 . . . . A 103 HIS C . 30471 1 883 . 1 1 103 103 HIS CA C 13 57.2 0.2 . 1 . . . . A 103 HIS CA . 30471 1 884 . 1 1 103 103 HIS CB C 13 35.3 0.2 . 1 . . . . A 103 HIS CB . 30471 1 885 . 1 1 103 103 HIS N N 15 119.7 0.1 . 1 . . . . A 103 HIS N . 30471 1 886 . 1 1 104 104 LYS H H 1 7.56 0.02 . 1 . . . . A 104 LYS H . 30471 1 887 . 1 1 104 104 LYS HA H 1 5.35 0.02 . 1 . . . . A 104 LYS HA . 30471 1 888 . 1 1 104 104 LYS HB2 H 1 1.47 0.02 . 2 . . . . A 104 LYS HB2 . 30471 1 889 . 1 1 104 104 LYS HB3 H 1 1.47 0.02 . 2 . . . . A 104 LYS HB3 . 30471 1 890 . 1 1 104 104 LYS HG2 H 1 1.11 0.02 . 2 . . . . A 104 LYS HG2 . 30471 1 891 . 1 1 104 104 LYS HG3 H 1 1.11 0.02 . 2 . . . . A 104 LYS HG3 . 30471 1 892 . 1 1 104 104 LYS HD2 H 1 1.60 0.02 . 2 . . . . A 104 LYS HD2 . 30471 1 893 . 1 1 104 104 LYS HD3 H 1 1.60 0.02 . 2 . . . . A 104 LYS HD3 . 30471 1 894 . 1 1 104 104 LYS HE2 H 1 3.00 0.02 . 2 . . . . A 104 LYS HE2 . 30471 1 895 . 1 1 104 104 LYS HE3 H 1 3.00 0.02 . 2 . . . . A 104 LYS HE3 . 30471 1 896 . 1 1 104 104 LYS C C 13 174.6 0.2 . 1 . . . . A 104 LYS C . 30471 1 897 . 1 1 104 104 LYS CA C 13 54.9 0.2 . 1 . . . . A 104 LYS CA . 30471 1 898 . 1 1 104 104 LYS CB C 13 35.5 0.2 . 1 . . . . A 104 LYS CB . 30471 1 899 . 1 1 104 104 LYS N N 15 125.3 0.1 . 1 . . . . A 104 LYS N . 30471 1 900 . 1 1 105 105 VAL H H 1 9.13 0.02 . 1 . . . . A 105 VAL H . 30471 1 901 . 1 1 105 105 VAL HA H 1 4.75 0.02 . 1 . . . . A 105 VAL HA . 30471 1 902 . 1 1 105 105 VAL HB H 1 2.05 0.02 . 1 . . . . A 105 VAL HB . 30471 1 903 . 1 1 105 105 VAL HG11 H 1 0.92 0.02 . 2 . . . . A 105 VAL HG11 . 30471 1 904 . 1 1 105 105 VAL HG12 H 1 0.92 0.02 . 2 . . . . A 105 VAL HG12 . 30471 1 905 . 1 1 105 105 VAL HG13 H 1 0.92 0.02 . 2 . . . . A 105 VAL HG13 . 30471 1 906 . 1 1 105 105 VAL HG21 H 1 0.92 0.02 . 2 . . . . A 105 VAL HG21 . 30471 1 907 . 1 1 105 105 VAL HG22 H 1 0.92 0.02 . 2 . . . . A 105 VAL HG22 . 30471 1 908 . 1 1 105 105 VAL HG23 H 1 0.92 0.02 . 2 . . . . A 105 VAL HG23 . 30471 1 909 . 1 1 105 105 VAL C C 13 174.1 0.2 . 1 . . . . A 105 VAL C . 30471 1 910 . 1 1 105 105 VAL CA C 13 58.8 0.2 . 1 . . . . A 105 VAL CA . 30471 1 911 . 1 1 105 105 VAL CB C 13 36.7 0.2 . 1 . . . . A 105 VAL CB . 30471 1 912 . 1 1 105 105 VAL N N 15 113.5 0.1 . 1 . . . . A 105 VAL N . 30471 1 913 . 1 1 106 106 LYS H H 1 7.91 0.02 . 1 . . . . A 106 LYS H . 30471 1 914 . 1 1 106 106 LYS HA H 1 4.67 0.02 . 1 . . . . A 106 LYS HA . 30471 1 915 . 1 1 106 106 LYS HB2 H 1 1.85 0.02 . 2 . . . . A 106 LYS HB2 . 30471 1 916 . 1 1 106 106 LYS HB3 H 1 1.85 0.02 . 2 . . . . A 106 LYS HB3 . 30471 1 917 . 1 1 106 106 LYS HG2 H 1 1.54 0.02 . 2 . . . . A 106 LYS HG2 . 30471 1 918 . 1 1 106 106 LYS HG3 H 1 1.54 0.02 . 2 . . . . A 106 LYS HG3 . 30471 1 919 . 1 1 106 106 LYS HE2 H 1 2.96 0.02 . 2 . . . . A 106 LYS HE2 . 30471 1 920 . 1 1 106 106 LYS HE3 H 1 2.96 0.02 . 2 . . . . A 106 LYS HE3 . 30471 1 921 . 1 1 106 106 LYS C C 13 174.4 0.2 . 1 . . . . A 106 LYS C . 30471 1 922 . 1 1 106 106 LYS CA C 13 56.8 0.2 . 1 . . . . A 106 LYS CA . 30471 1 923 . 1 1 106 106 LYS CB C 13 34.3 0.2 . 1 . . . . A 106 LYS CB . 30471 1 924 . 1 1 106 106 LYS N N 15 121.2 0.1 . 1 . . . . A 106 LYS N . 30471 1 925 . 1 1 107 107 LEU H H 1 8.53 0.02 . 1 . . . . A 107 LEU H . 30471 1 926 . 1 1 107 107 LEU HA H 1 5.27 0.02 . 1 . . . . A 107 LEU HA . 30471 1 927 . 1 1 107 107 LEU HB2 H 1 1.83 0.02 . 2 . . . . A 107 LEU HB2 . 30471 1 928 . 1 1 107 107 LEU HB3 H 1 1.83 0.02 . 2 . . . . A 107 LEU HB3 . 30471 1 929 . 1 1 107 107 LEU HD11 H 1 0.90 0.02 . 2 . . . . A 107 LEU HD11 . 30471 1 930 . 1 1 107 107 LEU HD12 H 1 0.90 0.02 . 2 . . . . A 107 LEU HD12 . 30471 1 931 . 1 1 107 107 LEU HD13 H 1 0.90 0.02 . 2 . . . . A 107 LEU HD13 . 30471 1 932 . 1 1 107 107 LEU HD21 H 1 0.90 0.02 . 2 . . . . A 107 LEU HD21 . 30471 1 933 . 1 1 107 107 LEU HD22 H 1 0.90 0.02 . 2 . . . . A 107 LEU HD22 . 30471 1 934 . 1 1 107 107 LEU HD23 H 1 0.90 0.02 . 2 . . . . A 107 LEU HD23 . 30471 1 935 . 1 1 107 107 LEU C C 13 174.9 0.2 . 1 . . . . A 107 LEU C . 30471 1 936 . 1 1 107 107 LEU CA C 13 53.4 0.2 . 1 . . . . A 107 LEU CA . 30471 1 937 . 1 1 107 107 LEU CB C 13 44.6 0.2 . 1 . . . . A 107 LEU CB . 30471 1 938 . 1 1 107 107 LEU N N 15 124.2 0.1 . 1 . . . . A 107 LEU N . 30471 1 939 . 1 1 108 108 GLU H H 1 8.96 0.02 . 1 . . . . A 108 GLU H . 30471 1 940 . 1 1 108 108 GLU HA H 1 4.68 0.02 . 1 . . . . A 108 GLU HA . 30471 1 941 . 1 1 108 108 GLU HB2 H 1 2.00 0.02 . 2 . . . . A 108 GLU HB2 . 30471 1 942 . 1 1 108 108 GLU HB3 H 1 2.00 0.02 . 2 . . . . A 108 GLU HB3 . 30471 1 943 . 1 1 108 108 GLU HG2 H 1 2.21 0.02 . 2 . . . . A 108 GLU HG2 . 30471 1 944 . 1 1 108 108 GLU HG3 H 1 2.21 0.02 . 2 . . . . A 108 GLU HG3 . 30471 1 945 . 1 1 108 108 GLU C C 13 173.3 0.2 . 1 . . . . A 108 GLU C . 30471 1 946 . 1 1 108 108 GLU CA C 13 55.3 0.2 . 1 . . . . A 108 GLU CA . 30471 1 947 . 1 1 108 108 GLU CB C 13 33.0 0.2 . 1 . . . . A 108 GLU CB . 30471 1 948 . 1 1 108 108 GLU N N 15 127.3 0.1 . 1 . . . . A 108 GLU N . 30471 1 949 . 1 1 109 109 ILE H H 1 7.92 0.02 . 1 . . . . A 109 ILE H . 30471 1 950 . 1 1 109 109 ILE HA H 1 4.85 0.02 . 1 . . . . A 109 ILE HA . 30471 1 951 . 1 1 109 109 ILE HB H 1 1.70 0.02 . 1 . . . . A 109 ILE HB . 30471 1 952 . 1 1 109 109 ILE HG12 H 1 0.87 0.02 . 2 . . . . A 109 ILE HG12 . 30471 1 953 . 1 1 109 109 ILE HG13 H 1 0.87 0.02 . 2 . . . . A 109 ILE HG13 . 30471 1 954 . 1 1 109 109 ILE HG21 H 1 0.37 0.02 . 1 . . . . A 109 ILE HG21 . 30471 1 955 . 1 1 109 109 ILE HG22 H 1 0.37 0.02 . 1 . . . . A 109 ILE HG22 . 30471 1 956 . 1 1 109 109 ILE HG23 H 1 0.37 0.02 . 1 . . . . A 109 ILE HG23 . 30471 1 957 . 1 1 109 109 ILE HD11 H 1 0.59 0.02 . 1 . . . . A 109 ILE HD11 . 30471 1 958 . 1 1 109 109 ILE HD12 H 1 0.59 0.02 . 1 . . . . A 109 ILE HD12 . 30471 1 959 . 1 1 109 109 ILE HD13 H 1 0.59 0.02 . 1 . . . . A 109 ILE HD13 . 30471 1 960 . 1 1 109 109 ILE C C 13 176.0 0.2 . 1 . . . . A 109 ILE C . 30471 1 961 . 1 1 109 109 ILE CA C 13 58.2 0.2 . 1 . . . . A 109 ILE CA . 30471 1 962 . 1 1 109 109 ILE CB C 13 37.3 0.2 . 1 . . . . A 109 ILE CB . 30471 1 963 . 1 1 109 109 ILE N N 15 125.2 0.1 . 1 . . . . A 109 ILE N . 30471 1 964 . 1 1 110 110 GLN H H 1 9.03 0.02 . 1 . . . . A 110 GLN H . 30471 1 965 . 1 1 110 110 GLN HA H 1 4.42 0.02 . 1 . . . . A 110 GLN HA . 30471 1 966 . 1 1 110 110 GLN HB2 H 1 1.90 0.02 . 2 . . . . A 110 GLN HB2 . 30471 1 967 . 1 1 110 110 GLN HB3 H 1 1.90 0.02 . 2 . . . . A 110 GLN HB3 . 30471 1 968 . 1 1 110 110 GLN HG2 H 1 2.22 0.02 . 2 . . . . A 110 GLN HG2 . 30471 1 969 . 1 1 110 110 GLN HG3 H 1 2.22 0.02 . 2 . . . . A 110 GLN HG3 . 30471 1 970 . 1 1 110 110 GLN C C 13 174.7 0.2 . 1 . . . . A 110 GLN C . 30471 1 971 . 1 1 110 110 GLN CA C 13 54.8 0.2 . 1 . . . . A 110 GLN CA . 30471 1 972 . 1 1 110 110 GLN CB C 13 30.5 0.2 . 1 . . . . A 110 GLN CB . 30471 1 973 . 1 1 110 110 GLN N N 15 128.6 0.1 . 1 . . . . A 110 GLN N . 30471 1 974 . 1 1 111 111 GLN H H 1 8.63 0.02 . 1 . . . . A 111 GLN H . 30471 1 975 . 1 1 111 111 GLN HA H 1 4.36 0.02 . 2 . . . . A 111 GLN HA . 30471 1 976 . 1 1 111 111 GLN HB2 H 1 2.00 0.02 . 2 . . . . A 111 GLN HB2 . 30471 1 977 . 1 1 111 111 GLN HB3 H 1 2.00 0.02 . 2 . . . . A 111 GLN HB3 . 30471 1 978 . 1 1 111 111 GLN HG2 H 1 2.36 0.02 . 2 . . . . A 111 GLN HG2 . 30471 1 979 . 1 1 111 111 GLN HG3 H 1 2.36 0.02 . 2 . . . . A 111 GLN HG3 . 30471 1 980 . 1 1 111 111 GLN C C 13 176.1 0.2 . 1 . . . . A 111 GLN C . 30471 1 981 . 1 1 111 111 GLN CA C 13 55.8 0.2 . 1 . . . . A 111 GLN CA . 30471 1 982 . 1 1 111 111 GLN CB C 13 30.3 0.2 . 1 . . . . A 111 GLN CB . 30471 1 983 . 1 1 111 111 GLN N N 15 123.6 0.1 . 1 . . . . A 111 GLN N . 30471 1 984 . 1 1 112 112 LEU H H 1 8.81 0.02 . 1 . . . . A 112 LEU H . 30471 1 985 . 1 1 112 112 LEU HA H 1 4.20 0.02 . 1 . . . . A 112 LEU HA . 30471 1 986 . 1 1 112 112 LEU HB2 H 1 1.54 0.02 . 2 . . . . A 112 LEU HB2 . 30471 1 987 . 1 1 112 112 LEU HB3 H 1 1.54 0.02 . 2 . . . . A 112 LEU HB3 . 30471 1 988 . 1 1 112 112 LEU HD11 H 1 0.87 0.02 . 2 . . . . A 112 LEU HD11 . 30471 1 989 . 1 1 112 112 LEU HD12 H 1 0.87 0.02 . 2 . . . . A 112 LEU HD12 . 30471 1 990 . 1 1 112 112 LEU HD13 H 1 0.87 0.02 . 2 . . . . A 112 LEU HD13 . 30471 1 991 . 1 1 112 112 LEU HD21 H 1 0.87 0.02 . 2 . . . . A 112 LEU HD21 . 30471 1 992 . 1 1 112 112 LEU HD22 H 1 0.87 0.02 . 2 . . . . A 112 LEU HD22 . 30471 1 993 . 1 1 112 112 LEU HD23 H 1 0.87 0.02 . 2 . . . . A 112 LEU HD23 . 30471 1 994 . 1 1 112 112 LEU C C 13 177.2 0.2 . 1 . . . . A 112 LEU C . 30471 1 995 . 1 1 112 112 LEU CA C 13 55.7 0.2 . 1 . . . . A 112 LEU CA . 30471 1 996 . 1 1 112 112 LEU CB C 13 42.5 0.2 . 1 . . . . A 112 LEU CB . 30471 1 997 . 1 1 112 112 LEU N N 15 124.3 0.1 . 1 . . . . A 112 LEU N . 30471 1 998 . 1 1 113 113 GLU H H 1 8.81 0.02 . 1 . . . . A 113 GLU H . 30471 1 999 . 1 1 113 113 GLU C C 13 177.2 0.2 . 1 . . . . A 113 GLU C . 30471 1 1000 . 1 1 113 113 GLU CA C 13 55.7 0.2 . 1 . . . . A 113 GLU CA . 30471 1 1001 . 1 1 113 113 GLU CB C 13 42.5 0.2 . 1 . . . . A 113 GLU CB . 30471 1 1002 . 1 1 113 113 GLU N N 15 124.3 0.1 . 1 . . . . A 113 GLU N . 30471 1 1003 . 1 1 118 118 HIS HA H 1 4.53 0.02 . 1 . . . . A 118 HIS HA . 30471 1 1004 . 1 1 118 118 HIS HB2 H 1 3.00 0.02 . 2 . . . . A 118 HIS HB2 . 30471 1 1005 . 1 1 118 118 HIS HB3 H 1 3.00 0.02 . 2 . . . . A 118 HIS HB3 . 30471 1 1006 . 1 1 118 118 HIS C C 13 174.2 0.2 . 1 . . . . A 118 HIS C . 30471 1 1007 . 1 1 118 118 HIS CA C 13 56.8 0.2 . 1 . . . . A 118 HIS CA . 30471 1 1008 . 1 1 118 118 HIS CB C 13 32.6 0.2 . 1 . . . . A 118 HIS CB . 30471 1 1009 . 1 1 119 119 HIS H H 1 7.83 0.02 . 1 . . . . A 119 HIS H . 30471 1 1010 . 1 1 119 119 HIS HA H 1 4.32 0.02 . 1 . . . . A 119 HIS HA . 30471 1 1011 . 1 1 119 119 HIS HB2 H 1 3.00 0.02 . 2 . . . . A 119 HIS HB2 . 30471 1 1012 . 1 1 119 119 HIS HB3 H 1 3.00 0.02 . 2 . . . . A 119 HIS HB3 . 30471 1 1013 . 1 1 119 119 HIS C C 13 179.7 0.2 . 1 . . . . A 119 HIS C . 30471 1 1014 . 1 1 119 119 HIS CA C 13 57.6 0.2 . 1 . . . . A 119 HIS CA . 30471 1 1015 . 1 1 119 119 HIS CB C 13 30.9 0.2 . 1 . . . . A 119 HIS CB . 30471 1 1016 . 1 1 119 119 HIS N N 15 126.1 0.1 . 1 . . . . A 119 HIS N . 30471 1 stop_ save_