data_16571 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16571 _Entry.Title ; NMR assignments of the DNA binding domain of ML4 protein from Mesorhizobium loti ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-10-21 _Entry.Accession_date 2009-10-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Luigi Russo . . . 16571 2 Maddalena Palmieri . . . 16571 3 Ilaria Baglivo . . . 16571 4 Sabrina Esposito . . . 16571 5 Carla Isernia . . . 16571 6 Gaetano Malgieri . . . 16571 7 'Paolo V.' Pedone . . . 16571 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Dipartimento di Scienze Ambientali - Seconda Universit degli Studi di Napoli' . 16571 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16571 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 414 16571 '15N chemical shifts' 93 16571 '1H chemical shifts' 562 16571 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-05-20 2009-10-21 update BMRB 'complete entry citation' 16571 1 . . 2010-01-28 2009-10-21 original author 'original release' 16571 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16571 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20020226 _Citation.Full_citation . _Citation.Title 'NMR assignments of the DNA binding domain of Ml4 protein from Mesorhizobium loti.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 4 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 55 _Citation.Page_last 57 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Luigi Russo . . . 16571 1 2 Maddalena Palmieri . . . 16571 1 3 Ilaria Baglivo . . . 16571 1 4 Sabrina Esposito . . . 16571 1 5 Carla Isernia . . . 16571 1 6 Gaetano Malgieri . . . 16571 1 7 Paolo Pedone . V. . 16571 1 8 Roberto Fattorusso . . . 16571 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16571 _Assembly.ID 1 _Assembly.Name ML4 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 ML4 1 $ML4 A . yes native no no . . . 16571 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ML4 _Entity.Sf_category entity _Entity.Sf_framecode ML4 _Entity.Entry_ID 16571 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ML4 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GRPAEPENPVLTPAVNPKKS VFPDYIVSLEDGRKFKSMKR HLGLLGMTPDEYRTKWDLPR DYPMVAPNYAATRSALAKAS GLGRKAAPVKKAPAKRKAKA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment ML4 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAB51289 . "transcriptional regulator [Mesorhizobium loti MAFF303099]" . . . . . 100.00 151 100.00 100.00 1.95e-63 . . . . 16571 1 2 no REF WP_010912631 . "MucR family transcriptional regulator [Mesorhizobium loti]" . . . . . 100.00 151 100.00 100.00 1.95e-63 . . . . 16571 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'DNA binding protein' 16571 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 . GLY . 16571 1 2 . ARG . 16571 1 3 . PRO . 16571 1 4 . ALA . 16571 1 5 . GLU . 16571 1 6 . PRO . 16571 1 7 . GLU . 16571 1 8 . ASN . 16571 1 9 . PRO . 16571 1 10 . VAL . 16571 1 11 . LEU . 16571 1 12 . THR . 16571 1 13 . PRO . 16571 1 14 . ALA . 16571 1 15 . VAL . 16571 1 16 . ASN . 16571 1 17 . PRO . 16571 1 18 . LYS . 16571 1 19 . LYS . 16571 1 20 . SER . 16571 1 21 . VAL . 16571 1 22 . PHE . 16571 1 23 . PRO . 16571 1 24 . ASP . 16571 1 25 . TYR . 16571 1 26 . ILE . 16571 1 27 . VAL . 16571 1 28 . SER . 16571 1 29 . LEU . 16571 1 30 . GLU . 16571 1 31 . ASP . 16571 1 32 . GLY . 16571 1 33 . ARG . 16571 1 34 . LYS . 16571 1 35 . PHE . 16571 1 36 . LYS . 16571 1 37 . SER . 16571 1 38 . MET . 16571 1 39 . LYS . 16571 1 40 . ARG . 16571 1 41 . HIS . 16571 1 42 . LEU . 16571 1 43 . GLY . 16571 1 44 . LEU . 16571 1 45 . LEU . 16571 1 46 . GLY . 16571 1 47 . MET . 16571 1 48 . THR . 16571 1 49 . PRO . 16571 1 50 . ASP . 16571 1 51 . GLU . 16571 1 52 . TYR . 16571 1 53 . ARG . 16571 1 54 . THR . 16571 1 55 . LYS . 16571 1 56 . TRP . 16571 1 57 . ASP . 16571 1 58 . LEU . 16571 1 59 . PRO . 16571 1 60 . ARG . 16571 1 61 . ASP . 16571 1 62 . TYR . 16571 1 63 . PRO . 16571 1 64 . MET . 16571 1 65 . VAL . 16571 1 66 . ALA . 16571 1 67 . PRO . 16571 1 68 . ASN . 16571 1 69 . TYR . 16571 1 70 . ALA . 16571 1 71 . ALA . 16571 1 72 . THR . 16571 1 73 . ARG . 16571 1 74 . SER . 16571 1 75 . ALA . 16571 1 76 . LEU . 16571 1 77 . ALA . 16571 1 78 . LYS . 16571 1 79 . ALA . 16571 1 80 . SER . 16571 1 81 . GLY . 16571 1 82 . LEU . 16571 1 83 . GLY . 16571 1 84 . ARG . 16571 1 85 . LYS . 16571 1 86 . ALA . 16571 1 87 . ALA . 16571 1 88 . PRO . 16571 1 89 . VAL . 16571 1 90 . LYS . 16571 1 91 . LYS . 16571 1 92 . ALA . 16571 1 93 . PRO . 16571 1 94 . ALA . 16571 1 95 . LYS . 16571 1 96 . ARG . 16571 1 97 . LYS . 16571 1 98 . ALA . 16571 1 99 . LYS . 16571 1 100 . ALA . 16571 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 . GLY 1 1 16571 1 . ARG 2 2 16571 1 . PRO 3 3 16571 1 . ALA 4 4 16571 1 . GLU 5 5 16571 1 . PRO 6 6 16571 1 . GLU 7 7 16571 1 . ASN 8 8 16571 1 . PRO 9 9 16571 1 . VAL 10 10 16571 1 . LEU 11 11 16571 1 . THR 12 12 16571 1 . PRO 13 13 16571 1 . ALA 14 14 16571 1 . VAL 15 15 16571 1 . ASN 16 16 16571 1 . PRO 17 17 16571 1 . LYS 18 18 16571 1 . LYS 19 19 16571 1 . SER 20 20 16571 1 . VAL 21 21 16571 1 . PHE 22 22 16571 1 . PRO 23 23 16571 1 . ASP 24 24 16571 1 . TYR 25 25 16571 1 . ILE 26 26 16571 1 . VAL 27 27 16571 1 . SER 28 28 16571 1 . LEU 29 29 16571 1 . GLU 30 30 16571 1 . ASP 31 31 16571 1 . GLY 32 32 16571 1 . ARG 33 33 16571 1 . LYS 34 34 16571 1 . PHE 35 35 16571 1 . LYS 36 36 16571 1 . SER 37 37 16571 1 . MET 38 38 16571 1 . LYS 39 39 16571 1 . ARG 40 40 16571 1 . HIS 41 41 16571 1 . LEU 42 42 16571 1 . GLY 43 43 16571 1 . LEU 44 44 16571 1 . LEU 45 45 16571 1 . GLY 46 46 16571 1 . MET 47 47 16571 1 . THR 48 48 16571 1 . PRO 49 49 16571 1 . ASP 50 50 16571 1 . GLU 51 51 16571 1 . TYR 52 52 16571 1 . ARG 53 53 16571 1 . THR 54 54 16571 1 . LYS 55 55 16571 1 . TRP 56 56 16571 1 . ASP 57 57 16571 1 . LEU 58 58 16571 1 . PRO 59 59 16571 1 . ARG 60 60 16571 1 . ASP 61 61 16571 1 . TYR 62 62 16571 1 . PRO 63 63 16571 1 . MET 64 64 16571 1 . VAL 65 65 16571 1 . ALA 66 66 16571 1 . PRO 67 67 16571 1 . ASN 68 68 16571 1 . TYR 69 69 16571 1 . ALA 70 70 16571 1 . ALA 71 71 16571 1 . THR 72 72 16571 1 . ARG 73 73 16571 1 . SER 74 74 16571 1 . ALA 75 75 16571 1 . LEU 76 76 16571 1 . ALA 77 77 16571 1 . LYS 78 78 16571 1 . ALA 79 79 16571 1 . SER 80 80 16571 1 . GLY 81 81 16571 1 . LEU 82 82 16571 1 . GLY 83 83 16571 1 . ARG 84 84 16571 1 . LYS 85 85 16571 1 . ALA 86 86 16571 1 . ALA 87 87 16571 1 . PRO 88 88 16571 1 . VAL 89 89 16571 1 . LYS 90 90 16571 1 . LYS 91 91 16571 1 . ALA 92 92 16571 1 . PRO 93 93 16571 1 . ALA 94 94 16571 1 . LYS 95 95 16571 1 . ARG 96 96 16571 1 . LYS 97 97 16571 1 . ALA 98 98 16571 1 . LYS 99 99 16571 1 . ALA 100 100 16571 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 16571 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $ML4 . 381 organism . 'Mesorhizobium loti' 'Mesorhizobium loti' . . Eubacteria . Mesorhizobium loti . . . . . . . . . . . . . . . . . . . . . 16571 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 16571 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $ML4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET22b+ . . . . . . 16571 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16571 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ML4 '[U-100% 15N]' . . 1 $ML4 . . 0.8 . . mM . . . . 16571 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16571 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16571 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16571 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ML4 '[U-100% 13C; U-100% 15N]' . . 1 $ML4 . . 0.8 . . mM . . . . 16571 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16571 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16571 2 4 NaCl 'natural abundance' . . . . . . 0.2 . . M . . . . 16571 2 5 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 16571 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16571 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.22 . M 16571 1 pH 6.8 . pH 16571 1 pressure 1 . atm 16571 1 temperature 298 . K 16571 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 16571 _Software.ID 1 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16571 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16571 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16571 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 16571 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16571 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16571 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity INOVA' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16571 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian 'Unity INOVA' . 500 . . . 16571 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 16571 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16571 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16571 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16571 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16571 1 5 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16571 1 6 '3D (H)CCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16571 1 7 CBCGCDCEHE no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16571 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16571 1 9 '3D 1H-13C TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16571 1 10 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16571 1 11 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16571 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16571 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16571 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16571 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16571 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16571 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16571 1 2 '2D 1H-13C HSQC' . . . 16571 1 3 '3D CBCA(CO)NH' . . . 16571 1 4 '3D HNCACB' . . . 16571 1 5 '3D HNCO' . . . 16571 1 6 '3D (H)CCH-TOCSY' . . . 16571 1 7 CBCGCDCEHE . . . 16571 1 8 '3D 1H-15N TOCSY' . . . 16571 1 9 '3D 1H-13C TOCSY' . . . 16571 1 10 '3D HNHA' . . . 16571 1 11 '3D HNHB' . . . 16571 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY H H 1 8.17 0.01 . 1 . . . . 1 GLY H . 16571 1 2 . 1 1 1 1 GLY HA2 H 1 3.64 0.01 . 1 . . . . 1 GLY HA2 . 16571 1 3 . 1 1 1 1 GLY C C 13 174.73 0.30 . 1 . . . . 1 GLY C . 16571 1 4 . 1 1 1 1 GLY CA C 13 45.14 0.30 . 1 . . . . 1 GLY CA . 16571 1 5 . 1 1 1 1 GLY N N 15 108.41 0.15 . 1 . . . . 1 GLY N . 16571 1 6 . 1 1 2 2 ARG H H 1 7.81 0.01 . 1 . . . . 2 ARG H . 16571 1 7 . 1 1 2 2 ARG HA H 1 4.42 0.01 . 1 . . . . 2 ARG HA . 16571 1 8 . 1 1 2 2 ARG HB2 H 1 1.69 0.01 . 2 . . . . 2 ARG HB2 . 16571 1 9 . 1 1 2 2 ARG HD2 H 1 2.53 0.01 . 2 . . . . 2 ARG HD2 . 16571 1 10 . 1 1 2 2 ARG HG2 H 1 1.55 0.01 . 2 . . . . 2 ARG HG2 . 16571 1 11 . 1 1 2 2 ARG CA C 13 55.15 0.30 . 1 . . . . 2 ARG CA . 16571 1 12 . 1 1 2 2 ARG CB C 13 30.08 0.30 . 1 . . . . 2 ARG CB . 16571 1 13 . 1 1 2 2 ARG CD C 13 40.35 0.30 . 1 . . . . 2 ARG CD . 16571 1 14 . 1 1 2 2 ARG CG C 13 24.64 0.30 . 1 . . . . 2 ARG CG . 16571 1 15 . 1 1 2 2 ARG N N 15 121.78 0.15 . 1 . . . . 2 ARG N . 16571 1 16 . 1 1 3 3 PRO HA H 1 4.51 0.01 . 1 . . . . 3 PRO HA . 16571 1 17 . 1 1 3 3 PRO HB2 H 1 1.80 0.01 . 2 . . . . 3 PRO HB2 . 16571 1 18 . 1 1 3 3 PRO HD2 H 1 3.71 0.01 . 2 . . . . 3 PRO HD2 . 16571 1 19 . 1 1 3 3 PRO HG2 H 1 1.90 0.01 . 2 . . . . 3 PRO HG2 . 16571 1 20 . 1 1 3 3 PRO C C 13 175.28 0.30 . 1 . . . . 3 PRO C . 16571 1 21 . 1 1 3 3 PRO CA C 13 62.81 0.30 . 1 . . . . 3 PRO CA . 16571 1 22 . 1 1 3 3 PRO CB C 13 31.44 0.30 . 1 . . . . 3 PRO CB . 16571 1 23 . 1 1 3 3 PRO CD C 13 50.46 0.30 . 1 . . . . 3 PRO CD . 16571 1 24 . 1 1 3 3 PRO CG C 13 26.81 0.30 . 1 . . . . 3 PRO CG . 16571 1 25 . 1 1 4 4 ALA H H 1 7.67 0.01 . 1 . . . . 4 ALA H . 16571 1 26 . 1 1 4 4 ALA HA H 1 3.64 0.01 . 1 . . . . 4 ALA HA . 16571 1 27 . 1 1 4 4 ALA HB1 H 1 1.23 0.01 . 1 . . . . 4 ALA MB . 16571 1 28 . 1 1 4 4 ALA HB2 H 1 1.23 0.01 . 1 . . . . 4 ALA MB . 16571 1 29 . 1 1 4 4 ALA HB3 H 1 1.23 0.01 . 1 . . . . 4 ALA MB . 16571 1 30 . 1 1 4 4 ALA C C 13 175.41 0.30 . 1 . . . . 4 ALA C . 16571 1 31 . 1 1 4 4 ALA CA C 13 53.06 0.30 . 1 . . . . 4 ALA CA . 16571 1 32 . 1 1 4 4 ALA CB C 13 19.03 0.30 . 1 . . . . 4 ALA CB . 16571 1 33 . 1 1 4 4 ALA N N 15 123.46 0.15 . 1 . . . . 4 ALA N . 16571 1 34 . 1 1 5 5 GLU H H 1 8.33 0.01 . 1 . . . . 5 GLU H . 16571 1 35 . 1 1 5 5 GLU HA H 1 4.47 0.01 . 1 . . . . 5 GLU HA . 16571 1 36 . 1 1 5 5 GLU HB2 H 1 2.16 0.01 . 2 . . . . 5 GLU HB2 . 16571 1 37 . 1 1 5 5 GLU HG2 H 1 2.33 0.01 . 2 . . . . 5 GLU HG2 . 16571 1 38 . 1 1 5 5 GLU CA C 13 56.28 0.30 . 1 . . . . 5 GLU CA . 16571 1 39 . 1 1 5 5 GLU CB C 13 30.01 0.30 . 1 . . . . 5 GLU CB . 16571 1 40 . 1 1 5 5 GLU CG C 13 35.68 0.30 . 1 . . . . 5 GLU CG . 16571 1 41 . 1 1 5 5 GLU N N 15 120.03 0.15 . 1 . . . . 5 GLU N . 16571 1 42 . 1 1 6 6 PRO HA H 1 4.31 0.01 . 1 . . . . 6 PRO HA . 16571 1 43 . 1 1 6 6 PRO HB2 H 1 2.19 0.01 . 2 . . . . 6 PRO HB2 . 16571 1 44 . 1 1 6 6 PRO HB3 H 1 1.79 0.01 . 2 . . . . 6 PRO HB3 . 16571 1 45 . 1 1 6 6 PRO HD2 H 1 3.70 0.01 . 2 . . . . 6 PRO HD2 . 16571 1 46 . 1 1 6 6 PRO HG2 H 1 2.11 0.01 . 2 . . . . 6 PRO HG2 . 16571 1 47 . 1 1 6 6 PRO C C 13 176.08 0.30 . 1 . . . . 6 PRO C . 16571 1 48 . 1 1 6 6 PRO CA C 13 62.60 0.30 . 1 . . . . 6 PRO CA . 16571 1 49 . 1 1 6 6 PRO CB C 13 31.92 0.30 . 1 . . . . 6 PRO CB . 16571 1 50 . 1 1 6 6 PRO CD C 13 49.65 0.30 . 1 . . . . 6 PRO CD . 16571 1 51 . 1 1 6 6 PRO CG C 13 27.02 0.30 . 1 . . . . 6 PRO CG . 16571 1 52 . 1 1 7 7 GLU H H 1 8.43 0.01 . 1 . . . . 7 GLU H . 16571 1 53 . 1 1 7 7 GLU HA H 1 4.12 0.01 . 1 . . . . 7 GLU HA . 16571 1 54 . 1 1 7 7 GLU HB2 H 1 1.88 0.01 . 2 . . . . 7 GLU HB2 . 16571 1 55 . 1 1 7 7 GLU HG2 H 1 2.15 0.01 . 2 . . . . 7 GLU HG2 . 16571 1 56 . 1 1 7 7 GLU C C 13 175.43 0.30 . 1 . . . . 7 GLU C . 16571 1 57 . 1 1 7 7 GLU CA C 13 56.08 0.30 . 1 . . . . 7 GLU CA . 16571 1 58 . 1 1 7 7 GLU CB C 13 29.83 0.30 . 1 . . . . 7 GLU CB . 16571 1 59 . 1 1 7 7 GLU CG C 13 35.59 0.30 . 1 . . . . 7 GLU CG . 16571 1 60 . 1 1 7 7 GLU N N 15 121.12 0.15 . 1 . . . . 7 GLU N . 16571 1 61 . 1 1 8 8 ASN H H 1 8.32 0.01 . 1 . . . . 8 ASN H . 16571 1 62 . 1 1 8 8 ASN HA H 1 4.87 0.01 . 1 . . . . 8 ASN HA . 16571 1 63 . 1 1 8 8 ASN HB2 H 1 2.72 0.01 . 2 . . . . 8 ASN HB2 . 16571 1 64 . 1 1 8 8 ASN HB3 H 1 2.58 0.01 . 2 . . . . 8 ASN HB3 . 16571 1 65 . 1 1 8 8 ASN HD21 H 1 7.53 0.01 . 2 . . . . 8 ASN HD21 . 16571 1 66 . 1 1 8 8 ASN HD22 H 1 6.83 0.01 . 2 . . . . 8 ASN HD22 . 16571 1 67 . 1 1 8 8 ASN CA C 13 50.14 0.30 . 1 . . . . 8 ASN CA . 16571 1 68 . 1 1 8 8 ASN CB C 13 38.58 0.30 . 1 . . . . 8 ASN CB . 16571 1 69 . 1 1 8 8 ASN N N 15 119.90 0.15 . 1 . . . . 8 ASN N . 16571 1 70 . 1 1 8 8 ASN ND2 N 15 113.17 0.15 . 1 . . . . 8 ASN ND2 . 16571 1 71 . 1 1 9 9 PRO HA H 1 4.10 0.01 . 1 . . . . 9 PRO HA . 16571 1 72 . 1 1 9 9 PRO HB2 H 1 2.57 0.01 . 2 . . . . 9 PRO HB2 . 16571 1 73 . 1 1 9 9 PRO HD2 H 1 3.56 0.01 . 2 . . . . 9 PRO HD2 . 16571 1 74 . 1 1 9 9 PRO HG2 H 1 2.16 0.01 . 2 . . . . 9 PRO HG2 . 16571 1 75 . 1 1 9 9 PRO C C 13 176.86 0.30 . 1 . . . . 9 PRO C . 16571 1 76 . 1 1 9 9 PRO CA C 13 62.58 0.30 . 1 . . . . 9 PRO CA . 16571 1 77 . 1 1 9 9 PRO CB C 13 31.62 0.30 . 1 . . . . 9 PRO CB . 16571 1 78 . 1 1 9 9 PRO CD C 13 50.23 0.30 . 1 . . . . 9 PRO CD . 16571 1 79 . 1 1 9 9 PRO CG C 13 26.77 0.30 . 1 . . . . 9 PRO CG . 16571 1 80 . 1 1 10 10 VAL H H 1 8.13 0.01 . 1 . . . . 10 VAL H . 16571 1 81 . 1 1 10 10 VAL HA H 1 3.94 0.01 . 1 . . . . 10 VAL HA . 16571 1 82 . 1 1 10 10 VAL HB H 1 1.91 0.01 . 1 . . . . 10 VAL HB . 16571 1 83 . 1 1 10 10 VAL HG11 H 1 0.83 0.01 . 2 . . . . 10 VAL MG1 . 16571 1 84 . 1 1 10 10 VAL HG12 H 1 0.83 0.01 . 2 . . . . 10 VAL MG1 . 16571 1 85 . 1 1 10 10 VAL HG13 H 1 0.83 0.01 . 2 . . . . 10 VAL MG1 . 16571 1 86 . 1 1 10 10 VAL C C 13 175.41 0.30 . 1 . . . . 10 VAL C . 16571 1 87 . 1 1 10 10 VAL CA C 13 61.97 0.30 . 1 . . . . 10 VAL CA . 16571 1 88 . 1 1 10 10 VAL CB C 13 32.58 0.30 . 1 . . . . 10 VAL CB . 16571 1 89 . 1 1 10 10 VAL CG1 C 13 20.58 0.30 . 2 . . . . 10 VAL CG1 . 16571 1 90 . 1 1 10 10 VAL N N 15 120.91 0.15 . 1 . . . . 10 VAL N . 16571 1 91 . 1 1 11 11 LEU H H 1 8.23 0.01 . 1 . . . . 11 LEU H . 16571 1 92 . 1 1 11 11 LEU HA H 1 4.35 0.01 . 1 . . . . 11 LEU HA . 16571 1 93 . 1 1 11 11 LEU HB2 H 1 1.37 0.01 . 2 . . . . 11 LEU HB2 . 16571 1 94 . 1 1 11 11 LEU HD11 H 1 0.39 0.01 . 2 . . . . 11 LEU MD1 . 16571 1 95 . 1 1 11 11 LEU HD12 H 1 0.39 0.01 . 2 . . . . 11 LEU MD1 . 16571 1 96 . 1 1 11 11 LEU HD13 H 1 0.39 0.01 . 2 . . . . 11 LEU MD1 . 16571 1 97 . 1 1 11 11 LEU HD21 H 1 0.48 0.01 . 2 . . . . 11 LEU MD2 . 16571 1 98 . 1 1 11 11 LEU HD22 H 1 0.48 0.01 . 2 . . . . 11 LEU MD2 . 16571 1 99 . 1 1 11 11 LEU HD23 H 1 0.48 0.01 . 2 . . . . 11 LEU MD2 . 16571 1 100 . 1 1 11 11 LEU HG H 1 1.53 0.01 . 1 . . . . 11 LEU HG . 16571 1 101 . 1 1 11 11 LEU C C 13 176.37 0.30 . 1 . . . . 11 LEU C . 16571 1 102 . 1 1 11 11 LEU CA C 13 54.13 0.30 . 1 . . . . 11 LEU CA . 16571 1 103 . 1 1 11 11 LEU CB C 13 42.56 0.30 . 1 . . . . 11 LEU CB . 16571 1 104 . 1 1 11 11 LEU CD1 C 13 24.54 0.30 . 2 . . . . 11 LEU CD1 . 16571 1 105 . 1 1 11 11 LEU CD2 C 13 22.82 0.30 . 2 . . . . 11 LEU CD2 . 16571 1 106 . 1 1 11 11 LEU CG C 13 26.54 0.30 . 1 . . . . 11 LEU CG . 16571 1 107 . 1 1 11 11 LEU N N 15 127.01 0.15 . 1 . . . . 11 LEU N . 16571 1 108 . 1 1 12 12 THR H H 1 8.62 0.01 . 1 . . . . 12 THR H . 16571 1 109 . 1 1 12 12 THR HA H 1 4.48 0.01 . 1 . . . . 12 THR HA . 16571 1 110 . 1 1 12 12 THR HB H 1 3.97 0.01 . 1 . . . . 12 THR HB . 16571 1 111 . 1 1 12 12 THR HG21 H 1 1.13 0.01 . 1 . . . . 12 THR MG . 16571 1 112 . 1 1 12 12 THR HG22 H 1 1.13 0.01 . 1 . . . . 12 THR MG . 16571 1 113 . 1 1 12 12 THR HG23 H 1 1.13 0.01 . 1 . . . . 12 THR MG . 16571 1 114 . 1 1 12 12 THR CA C 13 58.52 0.30 . 1 . . . . 12 THR CA . 16571 1 115 . 1 1 12 12 THR CB C 13 69.82 0.30 . 1 . . . . 12 THR CB . 16571 1 116 . 1 1 12 12 THR CG2 C 13 20.93 0.30 . 1 . . . . 12 THR CG2 . 16571 1 117 . 1 1 12 12 THR N N 15 119.38 0.15 . 1 . . . . 12 THR N . 16571 1 118 . 1 1 13 13 PRO HA H 1 4.23 0.01 . 1 . . . . 13 PRO HA . 16571 1 119 . 1 1 13 13 PRO HB2 H 1 2.18 0.01 . 2 . . . . 13 PRO HB2 . 16571 1 120 . 1 1 13 13 PRO HB3 H 1 1.79 0.01 . 2 . . . . 13 PRO HB3 . 16571 1 121 . 1 1 13 13 PRO HD2 H 1 3.81 0.01 . 2 . . . . 13 PRO HD2 . 16571 1 122 . 1 1 13 13 PRO HG2 H 1 1.92 0.01 . 2 . . . . 13 PRO HG2 . 16571 1 123 . 1 1 13 13 PRO C C 13 177.08 0.30 . 1 . . . . 13 PRO C . 16571 1 124 . 1 1 13 13 PRO CA C 13 61.96 0.30 . 1 . . . . 13 PRO CA . 16571 1 125 . 1 1 13 13 PRO CB C 13 31.82 0.30 . 1 . . . . 13 PRO CB . 16571 1 126 . 1 1 13 13 PRO CD C 13 50.02 0.30 . 1 . . . . 13 PRO CD . 16571 1 127 . 1 1 13 13 PRO CG C 13 26.84 0.30 . 1 . . . . 13 PRO CG . 16571 1 128 . 1 1 14 14 ALA H H 1 8.34 0.01 . 1 . . . . 14 ALA H . 16571 1 129 . 1 1 14 14 ALA HA H 1 4.01 0.01 . 1 . . . . 14 ALA HA . 16571 1 130 . 1 1 14 14 ALA HB1 H 1 1.25 0.01 . 1 . . . . 14 ALA MB . 16571 1 131 . 1 1 14 14 ALA HB2 H 1 1.25 0.01 . 1 . . . . 14 ALA MB . 16571 1 132 . 1 1 14 14 ALA HB3 H 1 1.25 0.01 . 1 . . . . 14 ALA MB . 16571 1 133 . 1 1 14 14 ALA C C 13 176.71 0.30 . 1 . . . . 14 ALA C . 16571 1 134 . 1 1 14 14 ALA CA C 13 54.13 0.30 . 1 . . . . 14 ALA CA . 16571 1 135 . 1 1 14 14 ALA CB C 13 19.13 0.30 . 1 . . . . 14 ALA CB . 16571 1 136 . 1 1 14 14 ALA N N 15 122.08 0.15 . 1 . . . . 14 ALA N . 16571 1 137 . 1 1 15 15 VAL H H 1 7.02 0.01 . 1 . . . . 15 VAL H . 16571 1 138 . 1 1 15 15 VAL HA H 1 4.14 0.01 . 1 . . . . 15 VAL HA . 16571 1 139 . 1 1 15 15 VAL HB H 1 1.98 0.01 . 1 . . . . 15 VAL HB . 16571 1 140 . 1 1 15 15 VAL HG11 H 1 0.70 0.01 . 2 . . . . 15 VAL MG1 . 16571 1 141 . 1 1 15 15 VAL HG12 H 1 0.70 0.01 . 2 . . . . 15 VAL MG1 . 16571 1 142 . 1 1 15 15 VAL HG13 H 1 0.70 0.01 . 2 . . . . 15 VAL MG1 . 16571 1 143 . 1 1 15 15 VAL HG21 H 1 0.56 0.01 . 2 . . . . 15 VAL MG2 . 16571 1 144 . 1 1 15 15 VAL HG22 H 1 0.56 0.01 . 2 . . . . 15 VAL MG2 . 16571 1 145 . 1 1 15 15 VAL HG23 H 1 0.56 0.01 . 2 . . . . 15 VAL MG2 . 16571 1 146 . 1 1 15 15 VAL C C 13 173.34 0.30 . 1 . . . . 15 VAL C . 16571 1 147 . 1 1 15 15 VAL CA C 13 57.87 0.30 . 1 . . . . 15 VAL CA . 16571 1 148 . 1 1 15 15 VAL CB C 13 35.09 0.30 . 1 . . . . 15 VAL CB . 16571 1 149 . 1 1 15 15 VAL CG1 C 13 21.18 0.30 . 2 . . . . 15 VAL CG1 . 16571 1 150 . 1 1 15 15 VAL CG2 C 13 18.64 0.30 . 2 . . . . 15 VAL CG2 . 16571 1 151 . 1 1 15 15 VAL N N 15 107.66 0.15 . 1 . . . . 15 VAL N . 16571 1 152 . 1 1 16 16 ASN H H 1 7.49 0.01 . 1 . . . . 16 ASN H . 16571 1 153 . 1 1 16 16 ASN HA H 1 4.52 0.01 . 1 . . . . 16 ASN HA . 16571 1 154 . 1 1 16 16 ASN HB2 H 1 2.66 0.01 . 2 . . . . 16 ASN HB2 . 16571 1 155 . 1 1 16 16 ASN HD21 H 1 7.49 0.01 . 2 . . . . 16 ASN HD21 . 16571 1 156 . 1 1 16 16 ASN HD22 H 1 6.78 0.01 . 2 . . . . 16 ASN HD22 . 16571 1 157 . 1 1 16 16 ASN CA C 13 52.27 0.30 . 1 . . . . 16 ASN CA . 16571 1 158 . 1 1 16 16 ASN CB C 13 37.82 0.30 . 1 . . . . 16 ASN CB . 16571 1 159 . 1 1 16 16 ASN N N 15 117.75 0.15 . 1 . . . . 16 ASN N . 16571 1 160 . 1 1 16 16 ASN ND2 N 15 112.49 0.15 . 1 . . . . 16 ASN ND2 . 16571 1 161 . 1 1 17 17 PRO HA H 1 4.16 0.01 . 1 . . . . 17 PRO HA . 16571 1 162 . 1 1 17 17 PRO HB2 H 1 1.93 0.01 . 2 . . . . 17 PRO HB2 . 16571 1 163 . 1 1 17 17 PRO HB3 H 1 1.67 0.01 . 2 . . . . 17 PRO HB3 . 16571 1 164 . 1 1 17 17 PRO HD2 H 1 3.72 0.01 . 2 . . . . 17 PRO HD2 . 16571 1 165 . 1 1 17 17 PRO HG2 H 1 1.83 0.01 . 2 . . . . 17 PRO HG2 . 16571 1 166 . 1 1 17 17 PRO C C 13 179.42 0.30 . 1 . . . . 17 PRO C . 16571 1 167 . 1 1 17 17 PRO CA C 13 65.63 0.30 . 1 . . . . 17 PRO CA . 16571 1 168 . 1 1 17 17 PRO CB C 13 31.67 0.30 . 1 . . . . 17 PRO CB . 16571 1 169 . 1 1 17 17 PRO CD C 13 50.12 0.30 . 1 . . . . 17 PRO CD . 16571 1 170 . 1 1 17 17 PRO CG C 13 26.43 0.30 . 1 . . . . 17 PRO CG . 16571 1 171 . 1 1 18 18 LYS H H 1 8.20 0.01 . 1 . . . . 18 LYS H . 16571 1 172 . 1 1 18 18 LYS HA H 1 4.20 0.01 . 1 . . . . 18 LYS HA . 16571 1 173 . 1 1 18 18 LYS HB2 H 1 1.71 0.01 . 2 . . . . 18 LYS HB2 . 16571 1 174 . 1 1 18 18 LYS HD2 H 1 1.60 0.01 . 2 . . . . 18 LYS HD2 . 16571 1 175 . 1 1 18 18 LYS HE2 H 1 2.91 0.01 . 2 . . . . 18 LYS HE2 . 16571 1 176 . 1 1 18 18 LYS HG2 H 1 1.36 0.01 . 2 . . . . 18 LYS HG2 . 16571 1 177 . 1 1 18 18 LYS C C 13 175.99 0.30 . 1 . . . . 18 LYS C . 16571 1 178 . 1 1 18 18 LYS CA C 13 55.77 0.30 . 1 . . . . 18 LYS CA . 16571 1 179 . 1 1 18 18 LYS CB C 13 32.46 0.30 . 1 . . . . 18 LYS CB . 16571 1 180 . 1 1 18 18 LYS CD C 13 28.61 0.30 . 1 . . . . 18 LYS CD . 16571 1 181 . 1 1 18 18 LYS CE C 13 42.02 0.30 . 1 . . . . 18 LYS CE . 16571 1 182 . 1 1 18 18 LYS CG C 13 24.21 0.30 . 1 . . . . 18 LYS CG . 16571 1 183 . 1 1 18 18 LYS N N 15 116.06 0.15 . 1 . . . . 18 LYS N . 16571 1 184 . 1 1 19 19 LYS H H 1 8.14 0.01 . 1 . . . . 19 LYS H . 16571 1 185 . 1 1 19 19 LYS HA H 1 4.14 0.01 . 1 . . . . 19 LYS HA . 16571 1 186 . 1 1 19 19 LYS HB2 H 1 1.49 0.01 . 2 . . . . 19 LYS HB2 . 16571 1 187 . 1 1 19 19 LYS HD2 H 1 1.39 0.01 . 2 . . . . 19 LYS HD2 . 16571 1 188 . 1 1 19 19 LYS HE2 H 1 2.72 0.01 . 2 . . . . 19 LYS HE2 . 16571 1 189 . 1 1 19 19 LYS HG2 H 1 1.37 0.01 . 2 . . . . 19 LYS HG2 . 16571 1 190 . 1 1 19 19 LYS C C 13 173.33 0.30 . 1 . . . . 19 LYS C . 16571 1 191 . 1 1 19 19 LYS CA C 13 56.27 0.30 . 1 . . . . 19 LYS CA . 16571 1 192 . 1 1 19 19 LYS CB C 13 32.02 0.30 . 1 . . . . 19 LYS CB . 16571 1 193 . 1 1 19 19 LYS CD C 13 28.27 0.30 . 1 . . . . 19 LYS CD . 16571 1 194 . 1 1 19 19 LYS CE C 13 41.56 0.30 . 1 . . . . 19 LYS CE . 16571 1 195 . 1 1 19 19 LYS CG C 13 24.29 0.30 . 1 . . . . 19 LYS CG . 16571 1 196 . 1 1 19 19 LYS N N 15 122.25 0.15 . 1 . . . . 19 LYS N . 16571 1 197 . 1 1 20 20 SER H H 1 7.54 0.01 . 1 . . . . 20 SER H . 16571 1 198 . 1 1 20 20 SER HA H 1 4.33 0.01 . 1 . . . . 20 SER HA . 16571 1 199 . 1 1 20 20 SER HB2 H 1 3.63 0.01 . 2 . . . . 20 SER HB2 . 16571 1 200 . 1 1 20 20 SER C C 13 171.55 0.30 . 1 . . . . 20 SER C . 16571 1 201 . 1 1 20 20 SER CA C 13 57.77 0.30 . 1 . . . . 20 SER CA . 16571 1 202 . 1 1 20 20 SER CB C 13 65.52 0.30 . 1 . . . . 20 SER CB . 16571 1 203 . 1 1 20 20 SER N N 15 109.59 0.15 . 1 . . . . 20 SER N . 16571 1 204 . 1 1 21 21 VAL H H 1 7.78 0.01 . 1 . . . . 21 VAL H . 16571 1 205 . 1 1 21 21 VAL HA H 1 4.15 0.01 . 1 . . . . 21 VAL HA . 16571 1 206 . 1 1 21 21 VAL HB H 1 1.93 0.01 . 1 . . . . 21 VAL HB . 16571 1 207 . 1 1 21 21 VAL HG11 H 1 0.56 0.01 . 2 . . . . 21 VAL MG1 . 16571 1 208 . 1 1 21 21 VAL HG12 H 1 0.56 0.01 . 2 . . . . 21 VAL MG1 . 16571 1 209 . 1 1 21 21 VAL HG13 H 1 0.56 0.01 . 2 . . . . 21 VAL MG1 . 16571 1 210 . 1 1 21 21 VAL C C 13 173.43 0.30 . 1 . . . . 21 VAL C . 16571 1 211 . 1 1 21 21 VAL CA C 13 62.74 0.30 . 1 . . . . 21 VAL CA . 16571 1 212 . 1 1 21 21 VAL CB C 13 32.08 0.30 . 1 . . . . 21 VAL CB . 16571 1 213 . 1 1 21 21 VAL CG1 C 13 20.44 0.30 . 2 . . . . 21 VAL CG1 . 16571 1 214 . 1 1 21 21 VAL N N 15 122.81 0.15 . 1 . . . . 21 VAL N . 16571 1 215 . 1 1 22 22 PHE H H 1 8.60 0.01 . 1 . . . . 22 PHE H . 16571 1 216 . 1 1 22 22 PHE HA H 1 4.60 0.01 . 1 . . . . 22 PHE HA . 16571 1 217 . 1 1 22 22 PHE HB2 H 1 2.51 0.01 . 2 . . . . 22 PHE HB2 . 16571 1 218 . 1 1 22 22 PHE HD2 H 1 6.75 0.01 . 3 . . . . 22 PHE HD2 . 16571 1 219 . 1 1 22 22 PHE CA C 13 54.02 0.30 . 1 . . . . 22 PHE CA . 16571 1 220 . 1 1 22 22 PHE CB C 13 40.52 0.30 . 1 . . . . 22 PHE CB . 16571 1 221 . 1 1 22 22 PHE N N 15 129.56 0.15 . 1 . . . . 22 PHE N . 16571 1 222 . 1 1 23 23 PRO HA H 1 3.87 0.01 . 1 . . . . 23 PRO HA . 16571 1 223 . 1 1 23 23 PRO HB2 H 1 1.77 0.01 . 2 . . . . 23 PRO HB2 . 16571 1 224 . 1 1 23 23 PRO HD2 H 1 3.13 0.01 . 2 . . . . 23 PRO HD2 . 16571 1 225 . 1 1 23 23 PRO HG2 H 1 1.66 0.01 . 2 . . . . 23 PRO HG2 . 16571 1 226 . 1 1 23 23 PRO C C 13 176.17 0.30 . 1 . . . . 23 PRO C . 16571 1 227 . 1 1 23 23 PRO CA C 13 66.07 0.30 . 1 . . . . 23 PRO CA . 16571 1 228 . 1 1 23 23 PRO CB C 13 29.17 0.30 . 1 . . . . 23 PRO CB . 16571 1 229 . 1 1 23 23 PRO CD C 13 50.24 0.30 . 1 . . . . 23 PRO CD . 16571 1 230 . 1 1 23 23 PRO CG C 13 26.30 0.30 . 1 . . . . 23 PRO CG . 16571 1 231 . 1 1 24 24 ASP H H 1 7.80 0.01 . 1 . . . . 24 ASP H . 16571 1 232 . 1 1 24 24 ASP HA H 1 4.82 0.01 . 1 . . . . 24 ASP HA . 16571 1 233 . 1 1 24 24 ASP HB2 H 1 2.78 0.01 . 2 . . . . 24 ASP HB2 . 16571 1 234 . 1 1 24 24 ASP HB3 H 1 2.45 0.01 . 2 . . . . 24 ASP HB3 . 16571 1 235 . 1 1 24 24 ASP C C 13 175.24 0.30 . 1 . . . . 24 ASP C . 16571 1 236 . 1 1 24 24 ASP CA C 13 53.48 0.30 . 1 . . . . 24 ASP CA . 16571 1 237 . 1 1 24 24 ASP CB C 13 42.65 0.30 . 1 . . . . 24 ASP CB . 16571 1 238 . 1 1 24 24 ASP N N 15 106.50 0.15 . 1 . . . . 24 ASP N . 16571 1 239 . 1 1 25 25 TYR H H 1 6.95 0.01 . 1 . . . . 25 TYR H . 16571 1 240 . 1 1 25 25 TYR HA H 1 4.46 0.01 . 1 . . . . 25 TYR HA . 16571 1 241 . 1 1 25 25 TYR HB2 H 1 2.89 0.01 . 2 . . . . 25 TYR HB2 . 16571 1 242 . 1 1 25 25 TYR HE1 H 1 7.28 0.01 . 3 . . . . 25 TYR HE1 . 16571 1 243 . 1 1 25 25 TYR C C 13 170.10 0.30 . 1 . . . . 25 TYR C . 16571 1 244 . 1 1 25 25 TYR CA C 13 56.93 0.30 . 1 . . . . 25 TYR CA . 16571 1 245 . 1 1 25 25 TYR CB C 13 38.36 0.30 . 1 . . . . 25 TYR CB . 16571 1 246 . 1 1 25 25 TYR CE1 C 13 117.27 0.30 . 1 . . . . 25 TYR CE1 . 16571 1 247 . 1 1 25 25 TYR N N 15 113.53 0.15 . 1 . . . . 25 TYR N . 16571 1 248 . 1 1 26 26 ILE H H 1 9.23 0.01 . 1 . . . . 26 ILE H . 16571 1 249 . 1 1 26 26 ILE HA H 1 3.99 0.01 . 1 . . . . 26 ILE HA . 16571 1 250 . 1 1 26 26 ILE HB H 1 1.69 0.01 . 1 . . . . 26 ILE HB . 16571 1 251 . 1 1 26 26 ILE HD11 H 1 0.69 0.01 . 1 . . . . 26 ILE MD . 16571 1 252 . 1 1 26 26 ILE HD12 H 1 0.69 0.01 . 1 . . . . 26 ILE MD . 16571 1 253 . 1 1 26 26 ILE HD13 H 1 0.69 0.01 . 1 . . . . 26 ILE MD . 16571 1 254 . 1 1 26 26 ILE HG12 H 1 1.29 0.01 . 2 . . . . 26 ILE HG12 . 16571 1 255 . 1 1 26 26 ILE HG13 H 1 0.99 0.01 . 2 . . . . 26 ILE HG13 . 16571 1 256 . 1 1 26 26 ILE HG21 H 1 0.72 0.01 . 1 . . . . 26 ILE MG . 16571 1 257 . 1 1 26 26 ILE HG22 H 1 0.72 0.01 . 1 . . . . 26 ILE MG . 16571 1 258 . 1 1 26 26 ILE HG23 H 1 0.72 0.01 . 1 . . . . 26 ILE MG . 16571 1 259 . 1 1 26 26 ILE C C 13 174.76 0.30 . 1 . . . . 26 ILE C . 16571 1 260 . 1 1 26 26 ILE CA C 13 60.46 0.30 . 1 . . . . 26 ILE CA . 16571 1 261 . 1 1 26 26 ILE CB C 13 37.96 0.30 . 1 . . . . 26 ILE CB . 16571 1 262 . 1 1 26 26 ILE CD1 C 13 12.02 0.30 . 1 . . . . 26 ILE CD1 . 16571 1 263 . 1 1 26 26 ILE CG1 C 13 26.72 0.30 . 1 . . . . 26 ILE CG1 . 16571 1 264 . 1 1 26 26 ILE CG2 C 13 17.09 0.30 . 1 . . . . 26 ILE CG2 . 16571 1 265 . 1 1 26 26 ILE N N 15 119.44 0.15 . 1 . . . . 26 ILE N . 16571 1 266 . 1 1 27 27 VAL H H 1 9.35 0.01 . 1 . . . . 27 VAL H . 16571 1 267 . 1 1 27 27 VAL HA H 1 4.38 0.01 . 1 . . . . 27 VAL HA . 16571 1 268 . 1 1 27 27 VAL HB H 1 1.90 0.01 . 1 . . . . 27 VAL HB . 16571 1 269 . 1 1 27 27 VAL HG11 H 1 1.13 0.01 . 2 . . . . 27 VAL MG1 . 16571 1 270 . 1 1 27 27 VAL HG12 H 1 1.13 0.01 . 2 . . . . 27 VAL MG1 . 16571 1 271 . 1 1 27 27 VAL HG13 H 1 1.13 0.01 . 2 . . . . 27 VAL MG1 . 16571 1 272 . 1 1 27 27 VAL HG21 H 1 0.69 0.01 . 2 . . . . 27 VAL MG2 . 16571 1 273 . 1 1 27 27 VAL HG22 H 1 0.69 0.01 . 2 . . . . 27 VAL MG2 . 16571 1 274 . 1 1 27 27 VAL HG23 H 1 0.69 0.01 . 2 . . . . 27 VAL MG2 . 16571 1 275 . 1 1 27 27 VAL C C 13 175.91 0.30 . 1 . . . . 27 VAL C . 16571 1 276 . 1 1 27 27 VAL CA C 13 60.95 0.30 . 1 . . . . 27 VAL CA . 16571 1 277 . 1 1 27 27 VAL CB C 13 32.48 0.30 . 1 . . . . 27 VAL CB . 16571 1 278 . 1 1 27 27 VAL CG1 C 13 21.39 0.30 . 2 . . . . 27 VAL CG1 . 16571 1 279 . 1 1 27 27 VAL N N 15 126.72 0.15 . 1 . . . . 27 VAL N . 16571 1 280 . 1 1 28 28 SER H H 1 9.13 0.01 . 1 . . . . 28 SER H . 16571 1 281 . 1 1 28 28 SER HA H 1 4.14 0.01 . 1 . . . . 28 SER HA . 16571 1 282 . 1 1 28 28 SER HB2 H 1 3.60 0.01 . 2 . . . . 28 SER HB2 . 16571 1 283 . 1 1 28 28 SER C C 13 176.80 0.30 . 1 . . . . 28 SER C . 16571 1 284 . 1 1 28 28 SER CA C 13 57.96 0.30 . 1 . . . . 28 SER CA . 16571 1 285 . 1 1 28 28 SER CB C 13 63.28 0.30 . 1 . . . . 28 SER CB . 16571 1 286 . 1 1 28 28 SER N N 15 120.56 0.15 . 1 . . . . 28 SER N . 16571 1 287 . 1 1 29 29 LEU H H 1 8.40 0.01 . 1 . . . . 29 LEU H . 16571 1 288 . 1 1 29 29 LEU HA H 1 3.80 0.01 . 1 . . . . 29 LEU HA . 16571 1 289 . 1 1 29 29 LEU HB2 H 1 0.24 0.01 . 2 . . . . 29 LEU HB2 . 16571 1 290 . 1 1 29 29 LEU HB3 H 1 -0.16 0.01 . 2 . . . . 29 LEU HB3 . 16571 1 291 . 1 1 29 29 LEU HD11 H 1 0.47 0.01 . 2 . . . . 29 LEU MD1 . 16571 1 292 . 1 1 29 29 LEU HD12 H 1 0.47 0.01 . 2 . . . . 29 LEU MD1 . 16571 1 293 . 1 1 29 29 LEU HD13 H 1 0.47 0.01 . 2 . . . . 29 LEU MD1 . 16571 1 294 . 1 1 29 29 LEU HG H 1 0.39 0.01 . 1 . . . . 29 LEU HG . 16571 1 295 . 1 1 29 29 LEU C C 13 177.30 0.30 . 1 . . . . 29 LEU C . 16571 1 296 . 1 1 29 29 LEU CA C 13 55.68 0.30 . 1 . . . . 29 LEU CA . 16571 1 297 . 1 1 29 29 LEU CB C 13 37.70 0.30 . 1 . . . . 29 LEU CB . 16571 1 298 . 1 1 29 29 LEU CD1 C 13 23.26 0.30 . 1 . . . . 29 LEU CD1 . 16571 1 299 . 1 1 29 29 LEU CG C 13 25.35 0.30 . 1 . . . . 29 LEU CG . 16571 1 300 . 1 1 29 29 LEU N N 15 127.87 0.15 . 1 . . . . 29 LEU N . 16571 1 301 . 1 1 30 30 GLU H H 1 8.49 0.01 . 1 . . . . 30 GLU H . 16571 1 302 . 1 1 30 30 GLU HA H 1 4.16 0.01 . 1 . . . . 30 GLU HA . 16571 1 303 . 1 1 30 30 GLU HB2 H 1 2.29 0.01 . 2 . . . . 30 GLU HB2 . 16571 1 304 . 1 1 30 30 GLU HB3 H 1 1.98 0.01 . 2 . . . . 30 GLU HB3 . 16571 1 305 . 1 1 30 30 GLU HG2 H 1 2.44 0.01 . 2 . . . . 30 GLU HG2 . 16571 1 306 . 1 1 30 30 GLU HG3 H 1 2.63 0.01 . 2 . . . . 30 GLU HG3 . 16571 1 307 . 1 1 30 30 GLU C C 13 177.59 0.30 . 1 . . . . 30 GLU C . 16571 1 308 . 1 1 30 30 GLU CA C 13 57.77 0.30 . 1 . . . . 30 GLU CA . 16571 1 309 . 1 1 30 30 GLU CB C 13 29.30 0.30 . 1 . . . . 30 GLU CB . 16571 1 310 . 1 1 30 30 GLU CG C 13 35.63 0.30 . 1 . . . . 30 GLU CG . 16571 1 311 . 1 1 30 30 GLU N N 15 116.62 0.15 . 1 . . . . 30 GLU N . 16571 1 312 . 1 1 31 31 ASP H H 1 7.13 0.01 . 1 . . . . 31 ASP H . 16571 1 313 . 1 1 31 31 ASP HA H 1 4.44 0.01 . 1 . . . . 31 ASP HA . 16571 1 314 . 1 1 31 31 ASP HB2 H 1 2.48 0.01 . 2 . . . . 31 ASP HB2 . 16571 1 315 . 1 1 31 31 ASP HB3 H 1 2.72 0.01 . 2 . . . . 31 ASP HB3 . 16571 1 316 . 1 1 31 31 ASP C C 13 176.8 0.30 . 1 . . . . 31 ASP C . 16571 1 317 . 1 1 31 31 ASP CA C 13 52.33 0.30 . 1 . . . . 31 ASP CA . 16571 1 318 . 1 1 31 31 ASP CB C 13 42.28 0.30 . 1 . . . . 31 ASP CB . 16571 1 319 . 1 1 31 31 ASP N N 15 112.12 0.15 . 1 . . . . 31 ASP N . 16571 1 320 . 1 1 32 32 GLY H H 1 7.98 0.01 . 1 . . . . 32 GLY H . 16571 1 321 . 1 1 32 32 GLY HA2 H 1 3.87 0.01 . 2 . . . . 32 GLY HA2 . 16571 1 322 . 1 1 32 32 GLY HA3 H 1 3.47 0.01 . 2 . . . . 32 GLY HA3 . 16571 1 323 . 1 1 32 32 GLY C C 13 174.50 0.30 . 1 . . . . 32 GLY C . 16571 1 324 . 1 1 32 32 GLY CA C 13 45.54 0.30 . 1 . . . . 32 GLY CA . 16571 1 325 . 1 1 32 32 GLY N N 15 109.03 0.15 . 1 . . . . 32 GLY N . 16571 1 326 . 1 1 33 33 ARG H H 1 7.93 0.01 . 1 . . . . 33 ARG H . 16571 1 327 . 1 1 33 33 ARG HA H 1 4.10 0.01 . 1 . . . . 33 ARG HA . 16571 1 328 . 1 1 33 33 ARG HB2 H 1 1.91 0.01 . 2 . . . . 33 ARG HB2 . 16571 1 329 . 1 1 33 33 ARG HD2 H 1 2.99 0.01 . 2 . . . . 33 ARG HD2 . 16571 1 330 . 1 1 33 33 ARG HG2 H 1 1.73 0.01 . 2 . . . . 33 ARG HG2 . 16571 1 331 . 1 1 33 33 ARG C C 13 173.31 0.30 . 1 . . . . 33 ARG C . 16571 1 332 . 1 1 33 33 ARG CA C 13 56.71 0.30 . 1 . . . . 33 ARG CA . 16571 1 333 . 1 1 33 33 ARG CB C 13 30.61 0.30 . 1 . . . . 33 ARG CB . 16571 1 334 . 1 1 33 33 ARG CD C 13 41.12 0.30 . 1 . . . . 33 ARG CD . 16571 1 335 . 1 1 33 33 ARG CG C 13 24.61 0.30 . 1 . . . . 33 ARG CG . 16571 1 336 . 1 1 33 33 ARG N N 15 120.28 0.15 . 1 . . . . 33 ARG N . 16571 1 337 . 1 1 34 34 LYS H H 1 7.49 0.01 . 1 . . . . 34 LYS H . 16571 1 338 . 1 1 34 34 LYS HA H 1 3.95 0.01 . 1 . . . . 34 LYS HA . 16571 1 339 . 1 1 34 34 LYS HB2 H 1 2.01 0.01 . 2 . . . . 34 LYS HB2 . 16571 1 340 . 1 1 34 34 LYS HD2 H 1 1.72 0.01 . 2 . . . . 34 LYS HD2 . 16571 1 341 . 1 1 34 34 LYS HE2 H 1 3.09 0.01 . 2 . . . . 34 LYS HE2 . 16571 1 342 . 1 1 34 34 LYS HG2 H 1 1.48 0.01 . 2 . . . . 34 LYS HG2 . 16571 1 343 . 1 1 34 34 LYS C C 13 175.82 0.30 . 1 . . . . 34 LYS C . 16571 1 344 . 1 1 34 34 LYS CA C 13 54.83 0.30 . 1 . . . . 34 LYS CA . 16571 1 345 . 1 1 34 34 LYS CB C 13 33.50 0.30 . 1 . . . . 34 LYS CB . 16571 1 346 . 1 1 34 34 LYS CD C 13 30.18 0.30 . 1 . . . . 34 LYS CD . 16571 1 347 . 1 1 34 34 LYS CE C 13 39.32 0.30 . 1 . . . . 34 LYS CE . 16571 1 348 . 1 1 34 34 LYS CG C 13 24.37 0.30 . 1 . . . . 34 LYS CG . 16571 1 349 . 1 1 34 34 LYS N N 15 117.47 0.15 . 1 . . . . 34 LYS N . 16571 1 350 . 1 1 35 35 PHE H H 1 9.34 0.01 . 1 . . . . 35 PHE H . 16571 1 351 . 1 1 35 35 PHE HA H 1 4.51 0.01 . 1 . . . . 35 PHE HA . 16571 1 352 . 1 1 35 35 PHE HB2 H 1 3.01 0.01 . 2 . . . . 35 PHE HB2 . 16571 1 353 . 1 1 35 35 PHE HD2 H 1 7.29 0.01 . 3 . . . . 35 PHE HD2 . 16571 1 354 . 1 1 35 35 PHE C C 13 175.03 0.30 . 1 . . . . 35 PHE C . 16571 1 355 . 1 1 35 35 PHE CA C 13 57.12 0.30 . 1 . . . . 35 PHE CA . 16571 1 356 . 1 1 35 35 PHE CB C 13 42.65 0.30 . 1 . . . . 35 PHE CB . 16571 1 357 . 1 1 35 35 PHE CD2 C 13 132.74 0.30 . 3 . . . . 35 PHE CD2 . 16571 1 358 . 1 1 35 35 PHE N N 15 120.56 0.15 . 1 . . . . 35 PHE N . 16571 1 359 . 1 1 36 36 LYS H H 1 8.77 0.01 . 1 . . . . 36 LYS H . 16571 1 360 . 1 1 36 36 LYS HA H 1 4.15 0.01 . 1 . . . . 36 LYS HA . 16571 1 361 . 1 1 36 36 LYS HB2 H 1 1.50 0.01 . 2 . . . . 36 LYS HB2 . 16571 1 362 . 1 1 36 36 LYS HD2 H 1 1.19 0.01 . 2 . . . . 36 LYS HD2 . 16571 1 363 . 1 1 36 36 LYS HE2 H 1 2.73 0.01 . 2 . . . . 36 LYS HE2 . 16571 1 364 . 1 1 36 36 LYS HG2 H 1 1.29 0.01 . 2 . . . . 36 LYS HG2 . 16571 1 365 . 1 1 36 36 LYS C C 13 175.10 0.30 . 1 . . . . 36 LYS C . 16571 1 366 . 1 1 36 36 LYS CA C 13 59.21 0.30 . 1 . . . . 36 LYS CA . 16571 1 367 . 1 1 36 36 LYS CB C 13 32.33 0.30 . 1 . . . . 36 LYS CB . 16571 1 368 . 1 1 36 36 LYS CD C 13 28.58 0.30 . 1 . . . . 36 LYS CD . 16571 1 369 . 1 1 36 36 LYS CE C 13 41.39 0.30 . 1 . . . . 36 LYS CE . 16571 1 370 . 1 1 36 36 LYS CG C 13 24.83 0.30 . 1 . . . . 36 LYS CG . 16571 1 371 . 1 1 36 36 LYS N N 15 122.53 0.15 . 1 . . . . 36 LYS N . 16571 1 372 . 1 1 37 37 SER H H 1 7.44 0.01 . 1 . . . . 37 SER H . 16571 1 373 . 1 1 37 37 SER HA H 1 5.03 0.01 . 1 . . . . 37 SER HA . 16571 1 374 . 1 1 37 37 SER HB2 H 1 3.64 0.01 . 2 . . . . 37 SER HB2 . 16571 1 375 . 1 1 37 37 SER C C 13 174.76 0.30 . 1 . . . . 37 SER C . 16571 1 376 . 1 1 37 37 SER CA C 13 55.16 0.30 . 1 . . . . 37 SER CA . 16571 1 377 . 1 1 37 37 SER CB C 13 63.93 0.30 . 1 . . . . 37 SER CB . 16571 1 378 . 1 1 37 37 SER N N 15 107.90 0.15 . 1 . . . . 37 SER N . 16571 1 379 . 1 1 38 38 MET H H 1 8.97 0.01 . 1 . . . . 38 MET H . 16571 1 380 . 1 1 38 38 MET HA H 1 4.12 0.01 . 1 . . . . 38 MET HA . 16571 1 381 . 1 1 38 38 MET HB2 H 1 2.16 0.01 . 2 . . . . 38 MET HB2 . 16571 1 382 . 1 1 38 38 MET HG2 H 1 3.00 0.01 . 2 . . . . 38 MET HG2 . 16571 1 383 . 1 1 38 38 MET C C 13 175.83 0.30 . 1 . . . . 38 MET C . 16571 1 384 . 1 1 38 38 MET CA C 13 56.01 0.30 . 1 . . . . 38 MET CA . 16571 1 385 . 1 1 38 38 MET CB C 13 35.47 0.30 . 1 . . . . 38 MET CB . 16571 1 386 . 1 1 38 38 MET CE C 13 16.91 0.30 . 1 . . . . 38 MET CE . 16571 1 387 . 1 1 38 38 MET CG C 13 29.56 0.30 . 1 . . . . 38 MET CG . 16571 1 388 . 1 1 38 38 MET N N 15 123.66 0.15 . 1 . . . . 38 MET N . 16571 1 389 . 1 1 39 39 LYS H H 1 7.71 0.01 . 1 . . . . 39 LYS H . 16571 1 390 . 1 1 39 39 LYS HA H 1 4.15 0.01 . 1 . . . . 39 LYS HA . 16571 1 391 . 1 1 39 39 LYS HB2 H 1 1.72 0.01 . 2 . . . . 39 LYS HB2 . 16571 1 392 . 1 1 39 39 LYS HD2 H 1 1.57 0.01 . 2 . . . . 39 LYS HD2 . 16571 1 393 . 1 1 39 39 LYS HE2 H 1 3.55 0.01 . 2 . . . . 39 LYS HE2 . 16571 1 394 . 1 1 39 39 LYS HG2 H 1 1.20 0.01 . 2 . . . . 39 LYS HG2 . 16571 1 395 . 1 1 39 39 LYS C C 13 176.68 0.30 . 1 . . . . 39 LYS C . 16571 1 396 . 1 1 39 39 LYS CA C 13 60.95 0.30 . 1 . . . . 39 LYS CA . 16571 1 397 . 1 1 39 39 LYS CB C 13 31.71 0.30 . 1 . . . . 39 LYS CB . 16571 1 398 . 1 1 39 39 LYS CD C 13 29.58 0.30 . 1 . . . . 39 LYS CD . 16571 1 399 . 1 1 39 39 LYS CE C 13 42.96 0.30 . 1 . . . . 39 LYS CE . 16571 1 400 . 1 1 39 39 LYS CG C 13 26.84 0.30 . 1 . . . . 39 LYS CG . 16571 1 401 . 1 1 39 39 LYS N N 15 118.87 0.15 . 1 . . . . 39 LYS N . 16571 1 402 . 1 1 40 40 ARG H H 1 8.25 0.01 . 1 . . . . 40 ARG H . 16571 1 403 . 1 1 40 40 ARG HA H 1 3.99 0.01 . 1 . . . . 40 ARG HA . 16571 1 404 . 1 1 40 40 ARG HB2 H 1 1.85 0.01 . 2 . . . . 40 ARG HB2 . 16571 1 405 . 1 1 40 40 ARG HD2 H 1 3.17 0.01 . 2 . . . . 40 ARG HD2 . 16571 1 406 . 1 1 40 40 ARG HG2 H 1 1.50 0.01 . 2 . . . . 40 ARG HG2 . 16571 1 407 . 1 1 40 40 ARG CA C 13 58.88 0.30 . 1 . . . . 40 ARG CA . 16571 1 408 . 1 1 40 40 ARG CB C 13 28.89 0.30 . 1 . . . . 40 ARG CB . 16571 1 409 . 1 1 40 40 ARG CD C 13 42.70 0.30 . 1 . . . . 40 ARG CD . 16571 1 410 . 1 1 40 40 ARG CG C 13 26.88 0.30 . 1 . . . . 40 ARG CG . 16571 1 411 . 1 1 40 40 ARG N N 15 119.15 0.15 . 1 . . . . 40 ARG N . 16571 1 412 . 1 1 41 41 HIS HA H 1 3.77 0.01 . 1 . . . . 41 HIS HA . 16571 1 413 . 1 1 41 41 HIS HB2 H 1 2.68 0.01 . 2 . . . . 41 HIS HB2 . 16571 1 414 . 1 1 41 41 HIS HB3 H 1 2.33 0.01 . 2 . . . . 41 HIS HB3 . 16571 1 415 . 1 1 41 41 HIS HD2 H 1 6.85 0.01 . 1 . . . . 41 HIS HD2 . 16571 1 416 . 1 1 41 41 HIS HE1 H 1 7.66 0.01 . 1 . . . . 41 HIS HE1 . 16571 1 417 . 1 1 41 41 HIS C C 13 176.07 0.30 . 1 . . . . 41 HIS C . 16571 1 418 . 1 1 41 41 HIS CA C 13 54.79 0.30 . 1 . . . . 41 HIS CA . 16571 1 419 . 1 1 41 41 HIS CB C 13 30.48 0.30 . 1 . . . . 41 HIS CB . 16571 1 420 . 1 1 41 41 HIS ND1 N 15 224.73 0.15 . 1 . . . . 41 HIS ND1 . 16571 1 421 . 1 1 41 41 HIS NE2 N 15 181.06 0.15 . 1 . . . . 41 HIS NE2 . 16571 1 422 . 1 1 42 42 LEU H H 1 7.98 0.01 . 1 . . . . 42 LEU H . 16571 1 423 . 1 1 42 42 LEU HA H 1 4.08 0.01 . 1 . . . . 42 LEU HA . 16571 1 424 . 1 1 42 42 LEU HB2 H 1 1.43 0.01 . 2 . . . . 42 LEU HB2 . 16571 1 425 . 1 1 42 42 LEU HD11 H 1 0.24 0.01 . 2 . . . . 42 LEU MD1 . 16571 1 426 . 1 1 42 42 LEU HD12 H 1 0.24 0.01 . 2 . . . . 42 LEU MD1 . 16571 1 427 . 1 1 42 42 LEU HD13 H 1 0.24 0.01 . 2 . . . . 42 LEU MD1 . 16571 1 428 . 1 1 42 42 LEU HG H 1 1.52 0.01 . 1 . . . . 42 LEU HG . 16571 1 429 . 1 1 42 42 LEU C C 13 179.15 0.30 . 1 . . . . 42 LEU C . 16571 1 430 . 1 1 42 42 LEU CA C 13 57.33 0.30 . 1 . . . . 42 LEU CA . 16571 1 431 . 1 1 42 42 LEU CB C 13 39.52 0.30 . 1 . . . . 42 LEU CB . 16571 1 432 . 1 1 42 42 LEU CD1 C 13 22.27 0.30 . 2 . . . . 42 LEU CD1 . 16571 1 433 . 1 1 42 42 LEU CG C 13 26.01 0.30 . 1 . . . . 42 LEU CG . 16571 1 434 . 1 1 42 42 LEU N N 15 115.50 0.15 . 1 . . . . 42 LEU N . 16571 1 435 . 1 1 43 43 GLY H H 1 7.89 0.01 . 1 . . . . 43 GLY H . 16571 1 436 . 1 1 43 43 GLY HA2 H 1 3.78 0.01 . 2 . . . . 43 GLY HA2 . 16571 1 437 . 1 1 43 43 GLY C C 13 175.36 0.30 . 1 . . . . 43 GLY C . 16571 1 438 . 1 1 43 43 GLY CA C 13 46.76 0.30 . 1 . . . . 43 GLY CA . 16571 1 439 . 1 1 43 43 GLY N N 15 106.50 0.15 . 1 . . . . 43 GLY N . 16571 1 440 . 1 1 44 44 LEU H H 1 7.98 0.01 . 1 . . . . 44 LEU H . 16571 1 441 . 1 1 44 44 LEU HA H 1 4.01 0.01 . 1 . . . . 44 LEU HA . 16571 1 442 . 1 1 44 44 LEU HB2 H 1 1.90 0.01 . 2 . . . . 44 LEU HB2 . 16571 1 443 . 1 1 44 44 LEU HD11 H 1 0.83 0.01 . 2 . . . . 44 LEU MD1 . 16571 1 444 . 1 1 44 44 LEU HD12 H 1 0.83 0.01 . 2 . . . . 44 LEU MD1 . 16571 1 445 . 1 1 44 44 LEU HD13 H 1 0.83 0.01 . 2 . . . . 44 LEU MD1 . 16571 1 446 . 1 1 44 44 LEU HD21 H 1 0.77 0.01 . 2 . . . . 44 LEU MD2 . 16571 1 447 . 1 1 44 44 LEU HD22 H 1 0.77 0.01 . 2 . . . . 44 LEU MD2 . 16571 1 448 . 1 1 44 44 LEU HD23 H 1 0.77 0.01 . 2 . . . . 44 LEU MD2 . 16571 1 449 . 1 1 44 44 LEU HG H 1 1.64 0.01 . 1 . . . . 44 LEU HG . 16571 1 450 . 1 1 44 44 LEU C C 13 178.69 0.30 . 1 . . . . 44 LEU C . 16571 1 451 . 1 1 44 44 LEU CA C 13 57.12 0.30 . 1 . . . . 44 LEU CA . 16571 1 452 . 1 1 44 44 LEU CB C 13 41.08 0.30 . 1 . . . . 44 LEU CB . 16571 1 453 . 1 1 44 44 LEU CD1 C 13 23.89 0.30 . 2 . . . . 44 LEU CD1 . 16571 1 454 . 1 1 44 44 LEU CD2 C 13 22.02 0.30 . 2 . . . . 44 LEU CD2 . 16571 1 455 . 1 1 44 44 LEU CG C 13 26.45 0.30 . 1 . . . . 44 LEU CG . 16571 1 456 . 1 1 44 44 LEU N N 15 123.65 0.15 . 1 . . . . 44 LEU N . 16571 1 457 . 1 1 45 45 LEU H H 1 7.33 0.01 . 1 . . . . 45 LEU H . 16571 1 458 . 1 1 45 45 LEU HA H 1 4.13 0.01 . 1 . . . . 45 LEU HA . 16571 1 459 . 1 1 45 45 LEU HB2 H 1 1.54 0.01 . 2 . . . . 45 LEU HB2 . 16571 1 460 . 1 1 45 45 LEU HD11 H 1 0.83 0.01 . 2 . . . . 45 LEU MD1 . 16571 1 461 . 1 1 45 45 LEU HD12 H 1 0.83 0.01 . 2 . . . . 45 LEU MD1 . 16571 1 462 . 1 1 45 45 LEU HD13 H 1 0.83 0.01 . 2 . . . . 45 LEU MD1 . 16571 1 463 . 1 1 45 45 LEU HD21 H 1 0.77 0.01 . 2 . . . . 45 LEU MD2 . 16571 1 464 . 1 1 45 45 LEU HD22 H 1 0.77 0.01 . 2 . . . . 45 LEU MD2 . 16571 1 465 . 1 1 45 45 LEU HD23 H 1 0.77 0.01 . 2 . . . . 45 LEU MD2 . 16571 1 466 . 1 1 45 45 LEU HG H 1 1.41 0.01 . 1 . . . . 45 LEU HG . 16571 1 467 . 1 1 45 45 LEU C C 13 178.67 0.30 . 1 . . . . 45 LEU C . 16571 1 468 . 1 1 45 45 LEU CA C 13 54.52 0.30 . 1 . . . . 45 LEU CA . 16571 1 469 . 1 1 45 45 LEU CB C 13 42.18 0.30 . 1 . . . . 45 LEU CB . 16571 1 470 . 1 1 45 45 LEU CD1 C 13 24.53 0.30 . 2 . . . . 45 LEU CD1 . 16571 1 471 . 1 1 45 45 LEU CD2 C 13 22.64 0.30 . 2 . . . . 45 LEU CD2 . 16571 1 472 . 1 1 45 45 LEU CG C 13 26.54 0.30 . 1 . . . . 45 LEU CG . 16571 1 473 . 1 1 45 45 LEU N N 15 118.15 0.15 . 1 . . . . 45 LEU N . 16571 1 474 . 1 1 46 46 GLY H H 1 7.77 0.01 . 1 . . . . 46 GLY H . 16571 1 475 . 1 1 46 46 GLY HA2 H 1 3.92 0.01 . 2 . . . . 46 GLY HA2 . 16571 1 476 . 1 1 46 46 GLY C C 13 177.64 0.30 . 1 . . . . 46 GLY C . 16571 1 477 . 1 1 46 46 GLY CA C 13 45.82 0.30 . 1 . . . . 46 GLY CA . 16571 1 478 . 1 1 46 46 GLY N N 15 108.19 0.15 . 1 . . . . 46 GLY N . 16571 1 479 . 1 1 47 47 MET H H 1 8.01 0.01 . 1 . . . . 47 MET H . 16571 1 480 . 1 1 47 47 MET HA H 1 4.98 0.01 . 1 . . . . 47 MET HA . 16571 1 481 . 1 1 47 47 MET HB2 H 1 2.02 0.01 . 2 . . . . 47 MET HB2 . 16571 1 482 . 1 1 47 47 MET HB3 H 1 1.69 0.01 . 2 . . . . 47 MET HB3 . 16571 1 483 . 1 1 47 47 MET HE1 H 1 2.00 0.01 . 1 . . . . 47 MET ME . 16571 1 484 . 1 1 47 47 MET HE2 H 1 2.00 0.01 . 1 . . . . 47 MET ME . 16571 1 485 . 1 1 47 47 MET HE3 H 1 2.00 0.01 . 1 . . . . 47 MET ME . 16571 1 486 . 1 1 47 47 MET HG2 H 1 2.43 0.01 . 2 . . . . 47 MET HG2 . 16571 1 487 . 1 1 47 47 MET HG3 H 1 2.40 0.01 . 2 . . . . 47 MET HG3 . 16571 1 488 . 1 1 47 47 MET C C 13 174.87 0.30 . 1 . . . . 47 MET C . 16571 1 489 . 1 1 47 47 MET CA C 13 50.77 0.30 . 1 . . . . 47 MET CA . 16571 1 490 . 1 1 47 47 MET CB C 13 33.15 0.30 . 1 . . . . 47 MET CB . 16571 1 491 . 1 1 47 47 MET CE C 13 17.83 0.30 . 1 . . . . 47 MET CE . 16571 1 492 . 1 1 47 47 MET CG C 13 30.17 0.30 . 1 . . . . 47 MET CG . 16571 1 493 . 1 1 47 47 MET N N 15 118.59 0.15 . 1 . . . . 47 MET N . 16571 1 494 . 1 1 48 48 THR H H 1 8.45 0.01 . 1 . . . . 48 THR H . 16571 1 495 . 1 1 48 48 THR HA H 1 4.62 0.01 . 1 . . . . 48 THR HA . 16571 1 496 . 1 1 48 48 THR HB H 1 4.25 0.01 . 1 . . . . 48 THR HB . 16571 1 497 . 1 1 48 48 THR HG21 H 1 1.20 0.01 . 1 . . . . 48 THR HG1 . 16571 1 498 . 1 1 48 48 THR HG22 H 1 1.20 0.01 . 1 . . . . 48 THR HG1 . 16571 1 499 . 1 1 48 48 THR HG23 H 1 1.20 0.01 . 1 . . . . 48 THR HG1 . 16571 1 500 . 1 1 48 48 THR CA C 13 58.89 0.30 . 1 . . . . 48 THR CA . 16571 1 501 . 1 1 48 48 THR CB C 13 68.41 0.30 . 1 . . . . 48 THR CB . 16571 1 502 . 1 1 48 48 THR CG2 C 13 21.08 0.30 . 1 . . . . 48 THR CG2 . 16571 1 503 . 1 1 48 48 THR N N 15 112.12 0.15 . 1 . . . . 48 THR N . 16571 1 504 . 1 1 49 49 PRO HA H 1 4.06 0.01 . 1 . . . . 49 PRO HA . 16571 1 505 . 1 1 49 49 PRO HB2 H 1 2.46 0.01 . 2 . . . . 49 PRO HB2 . 16571 1 506 . 1 1 49 49 PRO HB3 H 1 1.30 0.01 . 2 . . . . 49 PRO HB3 . 16571 1 507 . 1 1 49 49 PRO HD2 H 1 3.98 0.01 . 2 . . . . 49 PRO HD2 . 16571 1 508 . 1 1 49 49 PRO HD3 H 1 3.86 0.01 . 2 . . . . 49 PRO HD3 . 16571 1 509 . 1 1 49 49 PRO HG2 H 1 2.29 0.01 . 2 . . . . 49 PRO HG2 . 16571 1 510 . 1 1 49 49 PRO C C 13 177.58 0.30 . 1 . . . . 49 PRO C . 16571 1 511 . 1 1 49 49 PRO CA C 13 66.36 0.30 . 1 . . . . 49 PRO CA . 16571 1 512 . 1 1 49 49 PRO CB C 13 32.20 0.30 . 1 . . . . 49 PRO CB . 16571 1 513 . 1 1 49 49 PRO CD C 13 50.05 0.30 . 1 . . . . 49 PRO CD . 16571 1 514 . 1 1 49 49 PRO CG C 13 27.24 0.30 . 1 . . . . 49 PRO CG . 16571 1 515 . 1 1 50 50 ASP H H 1 8.24 0.01 . 1 . . . . 50 ASP H . 16571 1 516 . 1 1 50 50 ASP HA H 1 4.45 0.01 . 1 . . . . 50 ASP HA . 16571 1 517 . 1 1 50 50 ASP HB2 H 1 2.57 0.01 . 2 . . . . 50 ASP HB2 . 16571 1 518 . 1 1 50 50 ASP HB3 H 1 2.48 0.01 . 2 . . . . 50 ASP HB3 . 16571 1 519 . 1 1 50 50 ASP C C 13 178.54 0.30 . 1 . . . . 50 ASP C . 16571 1 520 . 1 1 50 50 ASP CA C 13 57.40 0.30 . 1 . . . . 50 ASP CA . 16571 1 521 . 1 1 50 50 ASP CB C 13 40.22 0.30 . 1 . . . . 50 ASP CB . 16571 1 522 . 1 1 50 50 ASP N N 15 114.65 0.15 . 1 . . . . 50 ASP N . 16571 1 523 . 1 1 51 51 GLU H H 1 7.88 0.01 . 1 . . . . 51 GLU H . 16571 1 524 . 1 1 51 51 GLU HA H 1 3.85 0.01 . 1 . . . . 51 GLU HA . 16571 1 525 . 1 1 51 51 GLU HB2 H 1 1.80 0.01 . 2 . . . . 51 GLU HB2 . 16571 1 526 . 1 1 51 51 GLU HG2 H 1 2.29 0.01 . 2 . . . . 51 GLU HG2 . 16571 1 527 . 1 1 51 51 GLU C C 13 178.81 0.30 . 1 . . . . 51 GLU C . 16571 1 528 . 1 1 51 51 GLU CA C 13 58.59 0.30 . 1 . . . . 51 GLU CA . 16571 1 529 . 1 1 51 51 GLU CB C 13 29.33 0.30 . 1 . . . . 51 GLU CB . 16571 1 530 . 1 1 51 51 GLU CG C 13 36.53 0.30 . 1 . . . . 51 GLU CG . 16571 1 531 . 1 1 51 51 GLU N N 15 121.69 0.15 . 1 . . . . 51 GLU N . 16571 1 532 . 1 1 52 52 TYR H H 1 8.28 0.01 . 1 . . . . 52 TYR H . 16571 1 533 . 1 1 52 52 TYR HA H 1 4.18 0.01 . 1 . . . . 52 TYR HA . 16571 1 534 . 1 1 52 52 TYR HB2 H 1 2.90 0.01 . 2 . . . . 52 TYR HB2 . 16571 1 535 . 1 1 52 52 TYR HD2 H 1 6.85 0.01 . 3 . . . . 52 TYR HD2 . 16571 1 536 . 1 1 52 52 TYR HE1 H 1 7.14 0.01 . 3 . . . . 52 TYR HE1 . 16571 1 537 . 1 1 52 52 TYR HH H 1 10.99 0.01 . 1 . . . . 52 TYR HH . 16571 1 538 . 1 1 52 52 TYR C C 13 175.89 0.30 . 1 . . . . 52 TYR C . 16571 1 539 . 1 1 52 52 TYR CA C 13 61.71 0.30 . 1 . . . . 52 TYR CA . 16571 1 540 . 1 1 52 52 TYR CB C 13 39.27 0.30 . 1 . . . . 52 TYR CB . 16571 1 541 . 1 1 52 52 TYR CD2 C 13 129.51 0.30 . 3 . . . . 52 TYR CD2 . 16571 1 542 . 1 1 52 52 TYR CE1 C 13 123.24 0.30 . 3 . . . . 52 TYR CE1 . 16571 1 543 . 1 1 52 52 TYR N N 15 122.25 0.15 . 1 . . . . 52 TYR N . 16571 1 544 . 1 1 53 53 ARG H H 1 8.47 0.01 . 1 . . . . 53 ARG H . 16571 1 545 . 1 1 53 53 ARG HA H 1 3.69 0.01 . 1 . . . . 53 ARG HA . 16571 1 546 . 1 1 53 53 ARG HB2 H 1 1.92 0.01 . 2 . . . . 53 ARG HB2 . 16571 1 547 . 1 1 53 53 ARG HB3 H 1 1.63 0.01 . 2 . . . . 53 ARG HB3 . 16571 1 548 . 1 1 53 53 ARG HD2 H 1 3.14 0.01 . 2 . . . . 53 ARG HD2 . 16571 1 549 . 1 1 53 53 ARG HG2 H 1 2.10 0.01 . 2 . . . . 53 ARG HG2 . 16571 1 550 . 1 1 53 53 ARG HG3 H 1 1.29 0.01 . 2 . . . . 53 ARG HG3 . 16571 1 551 . 1 1 53 53 ARG C C 13 178.11 0.30 . 1 . . . . 53 ARG C . 16571 1 552 . 1 1 53 53 ARG CA C 13 59.55 0.30 . 1 . . . . 53 ARG CA . 16571 1 553 . 1 1 53 53 ARG CB C 13 29.49 0.30 . 1 . . . . 53 ARG CB . 16571 1 554 . 1 1 53 53 ARG CD C 13 42.58 0.30 . 1 . . . . 53 ARG CD . 16571 1 555 . 1 1 53 53 ARG CG C 13 26.87 0.30 . 1 . . . . 53 ARG CG . 16571 1 556 . 1 1 53 53 ARG N N 15 116.06 0.15 . 1 . . . . 53 ARG N . 16571 1 557 . 1 1 54 54 THR H H 1 8.15 0.01 . 1 . . . . 54 THR H . 16571 1 558 . 1 1 54 54 THR HA H 1 3.88 0.01 . 1 . . . . 54 THR HA . 16571 1 559 . 1 1 54 54 THR HB H 1 4.01 0.01 . 1 . . . . 54 THR HB . 16571 1 560 . 1 1 54 54 THR HG21 H 1 1.07 0.01 . 1 . . . . 54 THR HG1 . 16571 1 561 . 1 1 54 54 THR HG22 H 1 1.07 0.01 . 1 . . . . 54 THR HG1 . 16571 1 562 . 1 1 54 54 THR HG23 H 1 1.07 0.01 . 1 . . . . 54 THR HG1 . 16571 1 563 . 1 1 54 54 THR C C 13 176.25 0.30 . 1 . . . . 54 THR C . 16571 1 564 . 1 1 54 54 THR CA C 13 65.71 0.30 . 1 . . . . 54 THR CA . 16571 1 565 . 1 1 54 54 THR CB C 13 68.51 0.30 . 1 . . . . 54 THR CB . 16571 1 566 . 1 1 54 54 THR CG2 C 13 21.19 0.30 . 1 . . . . 54 THR CG2 . 16571 1 567 . 1 1 54 54 THR N N 15 114.09 0.15 . 1 . . . . 54 THR N . 16571 1 568 . 1 1 55 55 LYS H H 1 8.07 0.01 . 1 . . . . 55 LYS H . 16571 1 569 . 1 1 55 55 LYS HA H 1 4.00 0.01 . 1 . . . . 55 LYS HA . 16571 1 570 . 1 1 55 55 LYS HB2 H 1 1.53 0.01 . 2 . . . . 55 LYS HB2 . 16571 1 571 . 1 1 55 55 LYS HB3 H 1 1.38 0.01 . 2 . . . . 55 LYS HB3 . 16571 1 572 . 1 1 55 55 LYS HD2 H 1 1.09 0.01 . 2 . . . . 55 LYS HD2 . 16571 1 573 . 1 1 55 55 LYS HD3 H 1 1.85 0.01 . 2 . . . . 55 LYS HD3 . 16571 1 574 . 1 1 55 55 LYS HE2 H 1 2.74 0.01 . 2 . . . . 55 LYS HE2 . 16571 1 575 . 1 1 55 55 LYS HG2 H 1 1.11 0.01 . 2 . . . . 55 LYS HG2 . 16571 1 576 . 1 1 55 55 LYS HG3 H 1 0.81 0.01 . 2 . . . . 55 LYS HG3 . 16571 1 577 . 1 1 55 55 LYS C C 13 176.66 0.30 . 1 . . . . 55 LYS C . 16571 1 578 . 1 1 55 55 LYS CA C 13 58.89 0.30 . 1 . . . . 55 LYS CA . 16571 1 579 . 1 1 55 55 LYS CB C 13 32.57 0.30 . 1 . . . . 55 LYS CB . 16571 1 580 . 1 1 55 55 LYS CD C 13 28.51 0.30 . 1 . . . . 55 LYS CD . 16571 1 581 . 1 1 55 55 LYS CE C 13 41.46 0.30 . 1 . . . . 55 LYS CE . 16571 1 582 . 1 1 55 55 LYS CG C 13 20.65 0.30 . 1 . . . . 55 LYS CG . 16571 1 583 . 1 1 55 55 LYS N N 15 123.94 0.15 . 1 . . . . 55 LYS N . 16571 1 584 . 1 1 56 56 TRP H H 1 6.84 0.01 . 1 . . . . 56 TRP H . 16571 1 585 . 1 1 56 56 TRP HA H 1 4.48 0.01 . 1 . . . . 56 TRP HA . 16571 1 586 . 1 1 56 56 TRP HB2 H 1 3.19 0.01 . 2 . . . . 56 TRP HB2 . 16571 1 587 . 1 1 56 56 TRP HB3 H 1 2.14 0.01 . 2 . . . . 56 TRP HB3 . 16571 1 588 . 1 1 56 56 TRP HD1 H 1 6.93 0.01 . 1 . . . . 56 TRP HD1 . 16571 1 589 . 1 1 56 56 TRP HE1 H 1 10.14 0.01 . 1 . . . . 56 TRP HE1 . 16571 1 590 . 1 1 56 56 TRP HE3 H 1 7.13 0.01 . 1 . . . . 56 TRP HE3 . 16571 1 591 . 1 1 56 56 TRP HZ2 H 1 7.00 0.01 . 1 . . . . 56 TRP HZ2 . 16571 1 592 . 1 1 56 56 TRP HZ3 H 1 6.17 0.01 . 1 . . . . 56 TRP HZ3 . 16571 1 593 . 1 1 56 56 TRP C C 13 173.04 0.30 . 1 . . . . 56 TRP C . 16571 1 594 . 1 1 56 56 TRP CA C 13 54.88 0.30 . 1 . . . . 56 TRP CA . 16571 1 595 . 1 1 56 56 TRP CB C 13 29.49 0.30 . 1 . . . . 56 TRP CB . 16571 1 596 . 1 1 56 56 TRP CD1 C 13 128.71 0.30 . 1 . . . . 56 TRP CD1 . 16571 1 597 . 1 1 56 56 TRP CZ2 C 13 114.21 0.30 . 1 . . . . 56 TRP CZ2 . 16571 1 598 . 1 1 56 56 TRP CZ3 C 13 123.87 0.30 . 1 . . . . 56 TRP CZ3 . 16571 1 599 . 1 1 56 56 TRP N N 15 113.81 0.15 . 1 . . . . 56 TRP N . 16571 1 600 . 1 1 56 56 TRP NE1 N 15 128.15 0.15 . 1 . . . . 56 TRP NE1 . 16571 1 601 . 1 1 57 57 ASP H H 1 7.58 0.01 . 1 . . . . 57 ASP H . 16571 1 602 . 1 1 57 57 ASP HA H 1 4.16 0.01 . 1 . . . . 57 ASP HA . 16571 1 603 . 1 1 57 57 ASP HB2 H 1 3.03 0.01 . 2 . . . . 57 ASP HB2 . 16571 1 604 . 1 1 57 57 ASP HB3 H 1 2.38 0.01 . 2 . . . . 57 ASP HB3 . 16571 1 605 . 1 1 57 57 ASP C C 13 174.35 0.30 . 1 . . . . 57 ASP C . 16571 1 606 . 1 1 57 57 ASP CA C 13 54.60 0.30 . 1 . . . . 57 ASP CA . 16571 1 607 . 1 1 57 57 ASP CB C 13 38.92 0.30 . 1 . . . . 57 ASP CB . 16571 1 608 . 1 1 57 57 ASP N N 15 119.15 0.15 . 1 . . . . 57 ASP N . 16571 1 609 . 1 1 58 58 LEU H H 1 8.69 0.01 . 1 . . . . 58 LEU H . 16571 1 610 . 1 1 58 58 LEU HA H 1 4.52 0.01 . 1 . . . . 58 LEU HA . 16571 1 611 . 1 1 58 58 LEU HB2 H 1 1.19 0.01 . 2 . . . . 58 LEU HB2 . 16571 1 612 . 1 1 58 58 LEU HB3 H 1 1.10 0.01 . 2 . . . . 58 LEU HB3 . 16571 1 613 . 1 1 58 58 LEU HD11 H 1 -0.26 0.01 . 2 . . . . 58 LEU MD1 . 16571 1 614 . 1 1 58 58 LEU HD12 H 1 -0.26 0.01 . 2 . . . . 58 LEU MD1 . 16571 1 615 . 1 1 58 58 LEU HD13 H 1 -0.26 0.01 . 2 . . . . 58 LEU MD1 . 16571 1 616 . 1 1 58 58 LEU HD21 H 1 0.45 0.01 . 2 . . . . 58 LEU MD2 . 16571 1 617 . 1 1 58 58 LEU HD22 H 1 0.45 0.01 . 2 . . . . 58 LEU MD2 . 16571 1 618 . 1 1 58 58 LEU HD23 H 1 0.45 0.01 . 2 . . . . 58 LEU MD2 . 16571 1 619 . 1 1 58 58 LEU HG H 1 1.50 0.01 . 1 . . . . 58 LEU HG . 16571 1 620 . 1 1 58 58 LEU CA C 13 51.61 0.30 . 1 . . . . 58 LEU CA . 16571 1 621 . 1 1 58 58 LEU CB C 13 40.13 0.30 . 1 . . . . 58 LEU CB . 16571 1 622 . 1 1 58 58 LEU CD1 C 13 23.42 0.30 . 2 . . . . 58 LEU CD1 . 16571 1 623 . 1 1 58 58 LEU CD2 C 13 20.51 0.30 . 2 . . . . 58 LEU CD2 . 16571 1 624 . 1 1 58 58 LEU CG C 13 25.64 0.30 . 1 . . . . 58 LEU CG . 16571 1 625 . 1 1 58 58 LEU N N 15 118.03 0.15 . 1 . . . . 58 LEU N . 16571 1 626 . 1 1 59 59 PRO HA H 1 4.10 0.01 . 1 . . . . 59 PRO HA . 16571 1 627 . 1 1 59 59 PRO HB2 H 1 2.19 0.01 . 2 . . . . 59 PRO HB2 . 16571 1 628 . 1 1 59 59 PRO HB3 H 1 1.80 0.01 . 2 . . . . 59 PRO HB3 . 16571 1 629 . 1 1 59 59 PRO HD2 H 1 3.87 0.01 . 2 . . . . 59 PRO HD2 . 16571 1 630 . 1 1 59 59 PRO HD3 H 1 3.56 0.01 . 2 . . . . 59 PRO HD3 . 16571 1 631 . 1 1 59 59 PRO HG2 H 1 1.93 0.01 . 2 . . . . 59 PRO HG2 . 16571 1 632 . 1 1 59 59 PRO C C 13 176.87 0.30 . 1 . . . . 59 PRO C . 16571 1 633 . 1 1 59 59 PRO CA C 13 62.64 0.30 . 1 . . . . 59 PRO CA . 16571 1 634 . 1 1 59 59 PRO CB C 13 31.71 0.30 . 1 . . . . 59 PRO CB . 16571 1 635 . 1 1 59 59 PRO CD C 13 50.10 0.30 . 1 . . . . 59 PRO CD . 16571 1 636 . 1 1 59 59 PRO CG C 13 26.79 0.30 . 1 . . . . 59 PRO CG . 16571 1 637 . 1 1 60 60 ARG H H 1 8.59 0.01 . 1 . . . . 60 ARG H . 16571 1 638 . 1 1 60 60 ARG HA H 1 3.84 0.01 . 1 . . . . 60 ARG HA . 16571 1 639 . 1 1 60 60 ARG HB2 H 1 1.79 0.01 . 2 . . . . 60 ARG HB2 . 16571 1 640 . 1 1 60 60 ARG HD2 H 1 3.12 0.01 . 2 . . . . 60 ARG HD2 . 16571 1 641 . 1 1 60 60 ARG HG2 H 1 1.66 0.01 . 2 . . . . 60 ARG HG2 . 16571 1 642 . 1 1 60 60 ARG C C 13 175.33 0.30 . 1 . . . . 60 ARG C . 16571 1 643 . 1 1 60 60 ARG CA C 13 58.05 0.30 . 1 . . . . 60 ARG CA . 16571 1 644 . 1 1 60 60 ARG CB C 13 29.21 0.30 . 1 . . . . 60 ARG CB . 16571 1 645 . 1 1 60 60 ARG CG C 13 26.15 0.30 . 1 . . . . 60 ARG CG . 16571 1 646 . 1 1 60 60 ARG N N 15 119.44 0.15 . 1 . . . . 60 ARG N . 16571 1 647 . 1 1 61 61 ASP H H 1 7.96 0.01 . 1 . . . . 61 ASP H . 16571 1 648 . 1 1 61 61 ASP HA H 1 4.42 0.01 . 1 . . . . 61 ASP HA . 16571 1 649 . 1 1 61 61 ASP HB2 H 1 2.75 0.01 . 2 . . . . 61 ASP HB2 . 16571 1 650 . 1 1 61 61 ASP HB3 H 1 2.41 0.01 . 2 . . . . 61 ASP HB3 . 16571 1 651 . 1 1 61 61 ASP C C 13 175.59 0.30 . 1 . . . . 61 ASP C . 16571 1 652 . 1 1 61 61 ASP CA C 13 51.39 0.30 . 1 . . . . 61 ASP CA . 16571 1 653 . 1 1 61 61 ASP CB C 13 39.29 0.30 . 1 . . . . 61 ASP CB . 16571 1 654 . 1 1 61 61 ASP N N 15 112.97 0.15 . 1 . . . . 61 ASP N . 16571 1 655 . 1 1 62 62 TYR H H 1 7.82 0.01 . 1 . . . . 62 TYR H . 16571 1 656 . 1 1 62 62 TYR HA H 1 4.40 0.01 . 1 . . . . 62 TYR HA . 16571 1 657 . 1 1 62 62 TYR HB2 H 1 3.05 0.01 . 2 . . . . 62 TYR HB2 . 16571 1 658 . 1 1 62 62 TYR HB3 H 1 2.57 0.01 . 2 . . . . 62 TYR HB3 . 16571 1 659 . 1 1 62 62 TYR HD2 H 1 6.97 0.01 . 3 . . . . 62 TYR HD2 . 16571 1 660 . 1 1 62 62 TYR HE2 H 1 6.75 0.01 . 3 . . . . 62 TYR HE2 . 16571 1 661 . 1 1 62 62 TYR CA C 13 56.84 0.30 . 1 . . . . 62 TYR CA . 16571 1 662 . 1 1 62 62 TYR CB C 13 39.37 0.30 . 1 . . . . 62 TYR CB . 16571 1 663 . 1 1 62 62 TYR CD2 C 13 132.35 0.30 . 3 . . . . 62 TYR CD2 . 16571 1 664 . 1 1 62 62 TYR N N 15 125.34 0.15 . 1 . . . . 62 TYR N . 16571 1 665 . 1 1 63 63 PRO HA H 1 4.11 0.01 . 1 . . . . 63 PRO HA . 16571 1 666 . 1 1 63 63 PRO HB2 H 1 2.36 0.01 . 2 . . . . 63 PRO HB2 . 16571 1 667 . 1 1 63 63 PRO HB3 H 1 2.05 0.01 . 2 . . . . 63 PRO HB3 . 16571 1 668 . 1 1 63 63 PRO HD2 H 1 3.34 0.01 . 2 . . . . 63 PRO HD2 . 16571 1 669 . 1 1 63 63 PRO HD3 H 1 3.42 0.01 . 2 . . . . 63 PRO HD3 . 16571 1 670 . 1 1 63 63 PRO HG2 H 1 2.11 0.01 . 2 . . . . 63 PRO HG2 . 16571 1 671 . 1 1 63 63 PRO HG3 H 1 1.55 0.01 . 2 . . . . 63 PRO HG3 . 16571 1 672 . 1 1 63 63 PRO C C 13 173.18 0.30 . 1 . . . . 63 PRO C . 16571 1 673 . 1 1 63 63 PRO CA C 13 62.64 0.30 . 1 . . . . 63 PRO CA . 16571 1 674 . 1 1 63 63 PRO CB C 13 32.51 0.30 . 1 . . . . 63 PRO CB . 16571 1 675 . 1 1 63 63 PRO CD C 13 49.83 0.30 . 1 . . . . 63 PRO CD . 16571 1 676 . 1 1 63 63 PRO CG C 13 26.82 0.30 . 1 . . . . 63 PRO CG . 16571 1 677 . 1 1 64 64 MET H H 1 7.97 0.01 . 1 . . . . 64 MET H . 16571 1 678 . 1 1 64 64 MET HA H 1 4.93 0.01 . 1 . . . . 64 MET HA . 16571 1 679 . 1 1 64 64 MET HB2 H 1 2.02 0.01 . 2 . . . . 64 MET HB2 . 16571 1 680 . 1 1 64 64 MET HE1 H 1 1.98 0.01 . 1 . . . . 64 MET ME . 16571 1 681 . 1 1 64 64 MET HE2 H 1 1.98 0.01 . 1 . . . . 64 MET ME . 16571 1 682 . 1 1 64 64 MET HE3 H 1 1.98 0.01 . 1 . . . . 64 MET ME . 16571 1 683 . 1 1 64 64 MET HG2 H 1 2.88 0.01 . 2 . . . . 64 MET HG2 . 16571 1 684 . 1 1 64 64 MET C C 13 175.57 0.30 . 1 . . . . 64 MET C . 16571 1 685 . 1 1 64 64 MET CA C 13 53.99 0.30 . 1 . . . . 64 MET CA . 16571 1 686 . 1 1 64 64 MET CB C 13 35.67 0.30 . 1 . . . . 64 MET CB . 16571 1 687 . 1 1 64 64 MET CE C 13 19.41 0.30 . 1 . . . . 64 MET CE . 16571 1 688 . 1 1 64 64 MET CG C 13 33.43 0.30 . 1 . . . . 64 MET CG . 16571 1 689 . 1 1 64 64 MET N N 15 109.03 0.15 . 1 . . . . 64 MET N . 16571 1 690 . 1 1 65 65 VAL H H 1 7.34 0.01 . 1 . . . . 65 VAL H . 16571 1 691 . 1 1 65 65 VAL HA H 1 4.58 0.01 . 1 . . . . 65 VAL HA . 16571 1 692 . 1 1 65 65 VAL HB H 1 1.85 0.01 . 1 . . . . 65 VAL HB . 16571 1 693 . 1 1 65 65 VAL HG11 H 1 0.84 0.01 . 2 . . . . 65 VAL MG1 . 16571 1 694 . 1 1 65 65 VAL HG12 H 1 0.84 0.01 . 2 . . . . 65 VAL MG1 . 16571 1 695 . 1 1 65 65 VAL HG13 H 1 0.84 0.01 . 2 . . . . 65 VAL MG1 . 16571 1 696 . 1 1 65 65 VAL HG21 H 1 1.01 0.01 . 2 . . . . 65 VAL MG2 . 16571 1 697 . 1 1 65 65 VAL HG22 H 1 1.01 0.01 . 2 . . . . 65 VAL MG2 . 16571 1 698 . 1 1 65 65 VAL HG23 H 1 1.01 0.01 . 2 . . . . 65 VAL MG2 . 16571 1 699 . 1 1 65 65 VAL C C 13 173.81 0.30 . 1 . . . . 65 VAL C . 16571 1 700 . 1 1 65 65 VAL CA C 13 59.55 0.30 . 1 . . . . 65 VAL CA . 16571 1 701 . 1 1 65 65 VAL CB C 13 34.72 0.30 . 1 . . . . 65 VAL CB . 16571 1 702 . 1 1 65 65 VAL CG1 C 13 20.46 0.30 . 2 . . . . 65 VAL CG1 . 16571 1 703 . 1 1 65 65 VAL CG2 C 13 20.77 0.30 . 2 . . . . 65 VAL CG2 . 16571 1 704 . 1 1 65 65 VAL N N 15 118.31 0.15 . 1 . . . . 65 VAL N . 16571 1 705 . 1 1 66 66 ALA H H 1 8.61 0.01 . 1 . . . . 66 ALA H . 16571 1 706 . 1 1 66 66 ALA HA H 1 4.47 0.01 . 1 . . . . 66 ALA HA . 16571 1 707 . 1 1 66 66 ALA HB1 H 1 1.28 0.01 . 1 . . . . 66 ALA MB . 16571 1 708 . 1 1 66 66 ALA HB2 H 1 1.28 0.01 . 1 . . . . 66 ALA MB . 16571 1 709 . 1 1 66 66 ALA HB3 H 1 1.28 0.01 . 1 . . . . 66 ALA MB . 16571 1 710 . 1 1 66 66 ALA CA C 13 50.59 0.01 . 1 . . . . 66 ALA CA . 16571 1 711 . 1 1 66 66 ALA CB C 13 16.51 0.01 . 1 . . . . 66 ALA CB . 16571 1 712 . 1 1 66 66 ALA N N 15 130.12 0.15 . 1 . . . . 66 ALA N . 16571 1 713 . 1 1 67 67 PRO HA H 1 4.17 0.01 . 1 . . . . 67 PRO HA . 16571 1 714 . 1 1 67 67 PRO HB2 H 1 2.23 0.01 . 2 . . . . 67 PRO HB2 . 16571 1 715 . 1 1 67 67 PRO HD2 H 1 3.42 0.01 . 2 . . . . 67 PRO HD2 . 16571 1 716 . 1 1 67 67 PRO HG2 H 1 1.86 0.01 . 2 . . . . 67 PRO HG2 . 16571 1 717 . 1 1 67 67 PRO C C 13 178.18 0.30 . 1 . . . . 67 PRO C . 16571 1 718 . 1 1 67 67 PRO CA C 13 65.77 0.30 . 1 . . . . 67 PRO CA . 16571 1 719 . 1 1 67 67 PRO CB C 13 31.71 0.30 . 1 . . . . 67 PRO CB . 16571 1 720 . 1 1 67 67 PRO CD C 13 50.22 0.30 . 1 . . . . 67 PRO CD . 16571 1 721 . 1 1 67 67 PRO CG C 13 26.71 0.30 . 1 . . . . 67 PRO CG . 16571 1 722 . 1 1 68 68 ASN H H 1 8.92 0.01 . 1 . . . . 68 ASN H . 16571 1 723 . 1 1 68 68 ASN HA H 1 4.41 0.01 . 1 . . . . 68 ASN HA . 16571 1 724 . 1 1 68 68 ASN HB2 H 1 2.48 0.01 . 2 . . . . 68 ASN HB2 . 16571 1 725 . 1 1 68 68 ASN HD21 H 1 7.56 0.01 . 2 . . . . 68 ASN HD21 . 16571 1 726 . 1 1 68 68 ASN HD22 H 1 6.87 0.01 . 2 . . . . 68 ASN HD22 . 16571 1 727 . 1 1 68 68 ASN C C 13 175.28 0.30 . 1 . . . . 68 ASN C . 16571 1 728 . 1 1 68 68 ASN CA C 13 54.13 0.30 . 1 . . . . 68 ASN CA . 16571 1 729 . 1 1 68 68 ASN CB C 13 36.38 0.30 . 1 . . . . 68 ASN CB . 16571 1 730 . 1 1 68 68 ASN N N 15 113.90 0.15 . 1 . . . . 68 ASN N . 16571 1 731 . 1 1 68 68 ASN ND2 N 15 111.07 0.15 . 1 . . . . 68 ASN ND2 . 16571 1 732 . 1 1 69 69 TYR H H 1 8.14 0.01 . 1 . . . . 69 TYR H . 16571 1 733 . 1 1 69 69 TYR HA H 1 4.46 0.01 . 1 . . . . 69 TYR HA . 16571 1 734 . 1 1 69 69 TYR HB2 H 1 3.19 0.01 . 2 . . . . 69 TYR HB2 . 16571 1 735 . 1 1 69 69 TYR HB3 H 1 2.65 0.01 . 2 . . . . 69 TYR HB3 . 16571 1 736 . 1 1 69 69 TYR HD2 H 1 7.03 0.01 . 3 . . . . 69 TYR HD2 . 16571 1 737 . 1 1 69 69 TYR HE2 H 1 6.70 0.01 . 3 . . . . 69 TYR HE2 . 16571 1 738 . 1 1 69 69 TYR C C 13 176.10 0.30 . 1 . . . . 69 TYR C . 16571 1 739 . 1 1 69 69 TYR CA C 13 58.13 0.30 . 1 . . . . 69 TYR CA . 16571 1 740 . 1 1 69 69 TYR CB C 13 38.45 0.30 . 1 . . . . 69 TYR CB . 16571 1 741 . 1 1 69 69 TYR CE2 C 13 117.39 0.30 . 3 . . . . 69 TYR CE2 . 16571 1 742 . 1 1 69 69 TYR N N 15 119.15 0.15 . 1 . . . . 69 TYR N . 16571 1 743 . 1 1 70 70 ALA H H 1 8.02 0.01 . 1 . . . . 70 ALA H . 16571 1 744 . 1 1 70 70 ALA HA H 1 4.22 0.01 . 1 . . . . 70 ALA HA . 16571 1 745 . 1 1 70 70 ALA HB1 H 1 1.49 0.01 . 1 . . . . 70 ALA MB . 16571 1 746 . 1 1 70 70 ALA HB2 H 1 1.49 0.01 . 1 . . . . 70 ALA MB . 16571 1 747 . 1 1 70 70 ALA HB3 H 1 1.49 0.01 . 1 . . . . 70 ALA MB . 16571 1 748 . 1 1 70 70 ALA C C 13 177.65 0.30 . 1 . . . . 70 ALA C . 16571 1 749 . 1 1 70 70 ALA CA C 13 52.11 0.30 . 1 . . . . 70 ALA CA . 16571 1 750 . 1 1 70 70 ALA CB C 13 18.70 0.30 . 1 . . . . 70 ALA CB . 16571 1 751 . 1 1 70 70 ALA N N 15 119.15 0.15 . 1 . . . . 70 ALA N . 16571 1 752 . 1 1 71 71 ALA H H 1 8.01 0.01 . 1 . . . . 71 ALA H . 16571 1 753 . 1 1 71 71 ALA HA H 1 4.20 0.01 . 1 . . . . 71 ALA HA . 16571 1 754 . 1 1 71 71 ALA HB1 H 1 1.49 0.01 . 1 . . . . 71 ALA MB . 16571 1 755 . 1 1 71 71 ALA HB2 H 1 1.49 0.01 . 1 . . . . 71 ALA MB . 16571 1 756 . 1 1 71 71 ALA HB3 H 1 1.49 0.01 . 1 . . . . 71 ALA MB . 16571 1 757 . 1 1 71 71 ALA C C 13 177.96 0.30 . 1 . . . . 71 ALA C . 16571 1 758 . 1 1 71 71 ALA CA C 13 52.02 0.30 . 1 . . . . 71 ALA CA . 16571 1 759 . 1 1 71 71 ALA CB C 13 18.58 0.30 . 1 . . . . 71 ALA CB . 16571 1 760 . 1 1 71 71 ALA N N 15 121.65 0.15 . 1 . . . . 71 ALA N . 16571 1 761 . 1 1 72 72 THR H H 1 7.80 0.01 . 1 . . . . 72 THR H . 16571 1 762 . 1 1 72 72 THR HA H 1 4.14 0.01 . 1 . . . . 72 THR HA . 16571 1 763 . 1 1 72 72 THR HB H 1 4.04 0.01 . 1 . . . . 72 THR HB . 16571 1 764 . 1 1 72 72 THR HG21 H 1 1.13 0.01 . 1 . . . . 72 THR HG1 . 16571 1 765 . 1 1 72 72 THR HG22 H 1 1.13 0.01 . 1 . . . . 72 THR HG1 . 16571 1 766 . 1 1 72 72 THR HG23 H 1 1.13 0.01 . 1 . . . . 72 THR HG1 . 16571 1 767 . 1 1 72 72 THR C C 13 175.81 0.30 . 1 . . . . 72 THR C . 16571 1 768 . 1 1 72 72 THR CA C 13 62.07 0.30 . 1 . . . . 72 THR CA . 16571 1 769 . 1 1 72 72 THR CB C 13 69.16 0.30 . 1 . . . . 72 THR CB . 16571 1 770 . 1 1 72 72 THR CG2 C 13 21.19 0.30 . 1 . . . . 72 THR CG2 . 16571 1 771 . 1 1 72 72 THR N N 15 112.28 0.15 . 1 . . . . 72 THR N . 16571 1 772 . 1 1 73 73 ARG H H 1 8.15 0.01 . 1 . . . . 73 ARG H . 16571 1 773 . 1 1 73 73 ARG HA H 1 4.11 0.01 . 1 . . . . 73 ARG HA . 16571 1 774 . 1 1 73 73 ARG HB2 H 1 1.54 0.01 . 2 . . . . 73 ARG HB2 . 16571 1 775 . 1 1 73 73 ARG HD2 H 1 3.04 0.01 . 2 . . . . 73 ARG HD2 . 16571 1 776 . 1 1 73 73 ARG HG2 H 1 1.48 0.01 . 2 . . . . 73 ARG HG2 . 16571 1 777 . 1 1 73 73 ARG C C 13 176.46 0.30 . 1 . . . . 73 ARG C . 16571 1 778 . 1 1 73 73 ARG CA C 13 56.66 0.30 . 1 . . . . 73 ARG CA . 16571 1 779 . 1 1 73 73 ARG CB C 13 30.11 0.30 . 1 . . . . 73 ARG CB . 16571 1 780 . 1 1 73 73 ARG CD C 13 42.75 0.30 . 1 . . . . 73 ARG CD . 16571 1 781 . 1 1 73 73 ARG CG C 13 26.60 0.30 . 1 . . . . 73 ARG CG . 16571 1 782 . 1 1 73 73 ARG N N 15 119.44 0.15 . 1 . . . . 73 ARG N . 16571 1 783 . 1 1 74 74 SER H H 1 8.22 0.01 . 1 . . . . 74 SER H . 16571 1 784 . 1 1 74 74 SER HA H 1 4.32 0.01 . 1 . . . . 74 SER HA . 16571 1 785 . 1 1 74 74 SER HB2 H 1 3.80 0.01 . 2 . . . . 74 SER HB2 . 16571 1 786 . 1 1 74 74 SER C C 13 174.35 0.30 . 1 . . . . 74 SER C . 16571 1 787 . 1 1 74 74 SER CA C 13 58.16 0.30 . 1 . . . . 74 SER CA . 16571 1 788 . 1 1 74 74 SER CB C 13 63.35 0.30 . 1 . . . . 74 SER CB . 16571 1 789 . 1 1 74 74 SER N N 15 117.73 0.15 . 1 . . . . 74 SER N . 16571 1 790 . 1 1 75 75 ALA H H 1 8.16 0.01 . 1 . . . . 75 ALA H . 16571 1 791 . 1 1 75 75 ALA HA H 1 3.95 0.01 . 1 . . . . 75 ALA HA . 16571 1 792 . 1 1 75 75 ALA HB1 H 1 1.53 0.01 . 1 . . . . 75 ALA MB . 16571 1 793 . 1 1 75 75 ALA HB2 H 1 1.53 0.01 . 1 . . . . 75 ALA MB . 16571 1 794 . 1 1 75 75 ALA HB3 H 1 1.53 0.01 . 1 . . . . 75 ALA MB . 16571 1 795 . 1 1 75 75 ALA C C 13 177.86 0.30 . 1 . . . . 75 ALA C . 16571 1 796 . 1 1 75 75 ALA CA C 13 54.41 0.30 . 1 . . . . 75 ALA CA . 16571 1 797 . 1 1 75 75 ALA CB C 13 18.66 0.30 . 1 . . . . 75 ALA CB . 16571 1 798 . 1 1 75 75 ALA N N 15 125.90 0.15 . 1 . . . . 75 ALA N . 16571 1 799 . 1 1 76 76 LEU H H 1 7.93 0.01 . 1 . . . . 76 LEU H . 16571 1 800 . 1 1 76 76 LEU HA H 1 4.20 0.01 . 1 . . . . 76 LEU HA . 16571 1 801 . 1 1 76 76 LEU HB2 H 1 1.52 0.01 . 2 . . . . 76 LEU HB2 . 16571 1 802 . 1 1 76 76 LEU HD11 H 1 0.81 0.01 . 2 . . . . 76 LEU MD1 . 16571 1 803 . 1 1 76 76 LEU HD12 H 1 0.81 0.01 . 2 . . . . 76 LEU MD1 . 16571 1 804 . 1 1 76 76 LEU HD13 H 1 0.81 0.01 . 2 . . . . 76 LEU MD1 . 16571 1 805 . 1 1 76 76 LEU HD21 H 1 0.98 0.01 . 2 . . . . 76 LEU MD2 . 16571 1 806 . 1 1 76 76 LEU HD22 H 1 0.98 0.01 . 2 . . . . 76 LEU MD2 . 16571 1 807 . 1 1 76 76 LEU HD23 H 1 0.98 0.01 . 2 . . . . 76 LEU MD2 . 16571 1 808 . 1 1 76 76 LEU HG H 1 1.69 0.01 . 1 . . . . 76 LEU HG . 16571 1 809 . 1 1 76 76 LEU C C 13 177.13 0.30 . 1 . . . . 76 LEU C . 16571 1 810 . 1 1 76 76 LEU CA C 13 55.25 0.30 . 1 . . . . 76 LEU CA . 16571 1 811 . 1 1 76 76 LEU CB C 13 41.81 0.30 . 1 . . . . 76 LEU CB . 16571 1 812 . 1 1 76 76 LEU CD1 C 13 28.62 0.30 . 2 . . . . 76 LEU CD1 . 16571 1 813 . 1 1 76 76 LEU CD2 C 13 24.48 0.30 . 2 . . . . 76 LEU CD2 . 16571 1 814 . 1 1 76 76 LEU CG C 13 28.62 0.30 . 1 . . . . 76 LEU CG . 16571 1 815 . 1 1 76 76 LEU N N 15 120.00 0.15 . 1 . . . . 76 LEU N . 16571 1 816 . 1 1 77 77 ALA H H 1 7.93 0.01 . 1 . . . . 77 ALA H . 16571 1 817 . 1 1 77 77 ALA HA H 1 4.14 0.01 . 1 . . . . 77 ALA HA . 16571 1 818 . 1 1 77 77 ALA HB1 H 1 1.29 0.01 . 1 . . . . 77 ALA MB . 16571 1 819 . 1 1 77 77 ALA HB2 H 1 1.29 0.01 . 1 . . . . 77 ALA MB . 16571 1 820 . 1 1 77 77 ALA HB3 H 1 1.29 0.01 . 1 . . . . 77 ALA MB . 16571 1 821 . 1 1 77 77 ALA C C 13 173.57 0.30 . 1 . . . . 77 ALA C . 16571 1 822 . 1 1 77 77 ALA CA C 13 52.64 0.30 . 1 . . . . 77 ALA CA . 16571 1 823 . 1 1 77 77 ALA CB C 13 18.75 0.30 . 1 . . . . 77 ALA CB . 16571 1 824 . 1 1 77 77 ALA N N 15 123.90 0.15 . 1 . . . . 77 ALA N . 16571 1 825 . 1 1 78 78 LYS H H 1 7.98 0.01 . 1 . . . . 78 LYS H . 16571 1 826 . 1 1 78 78 LYS HA H 1 4.12 0.01 . 1 . . . . 78 LYS HA . 16571 1 827 . 1 1 78 78 LYS HB2 H 1 1.92 0.01 . 2 . . . . 78 LYS HB2 . 16571 1 828 . 1 1 78 78 LYS HB3 H 1 1.52 0.01 . 2 . . . . 78 LYS HB3 . 16571 1 829 . 1 1 78 78 LYS HD2 H 1 0.82 0.01 . 2 . . . . 78 LYS HD2 . 16571 1 830 . 1 1 78 78 LYS HE2 H 1 3.30 0.01 . 2 . . . . 78 LYS HE2 . 16571 1 831 . 1 1 78 78 LYS HE3 H 1 3.10 0.01 . 2 . . . . 78 LYS HE3 . 16571 1 832 . 1 1 78 78 LYS HG2 H 1 1.21 0.01 . 2 . . . . 78 LYS HG2 . 16571 1 833 . 1 1 78 78 LYS C C 13 176.26 0.30 . 1 . . . . 78 LYS C . 16571 1 834 . 1 1 78 78 LYS CA C 13 56.28 0.30 . 1 . . . . 78 LYS CA . 16571 1 835 . 1 1 78 78 LYS CB C 13 32.57 0.30 . 1 . . . . 78 LYS CB . 16571 1 836 . 1 1 78 78 LYS CD C 13 28.57 0.30 . 1 . . . . 78 LYS CD . 16571 1 837 . 1 1 78 78 LYS CE C 13 41.69 0.30 . 1 . . . . 78 LYS CE . 16571 1 838 . 1 1 78 78 LYS CG C 13 24.24 0.30 . 1 . . . . 78 LYS CG . 16571 1 839 . 1 1 78 78 LYS N N 15 119.15 0.15 . 1 . . . . 78 LYS N . 16571 1 840 . 1 1 79 79 ALA H H 1 8.09 0.01 . 1 . . . . 79 ALA H . 16571 1 841 . 1 1 79 79 ALA HA H 1 4.23 0.01 . 1 . . . . 79 ALA HA . 16571 1 842 . 1 1 79 79 ALA HB1 H 1 1.29 0.01 . 1 . . . . 79 ALA MB . 16571 1 843 . 1 1 79 79 ALA HB2 H 1 1.29 0.01 . 1 . . . . 79 ALA MB . 16571 1 844 . 1 1 79 79 ALA HB3 H 1 1.29 0.01 . 1 . . . . 79 ALA MB . 16571 1 845 . 1 1 79 79 ALA C C 13 177.36 0.30 . 1 . . . . 79 ALA C . 16571 1 846 . 1 1 79 79 ALA CA C 13 52.36 0.30 . 1 . . . . 79 ALA CA . 16571 1 847 . 1 1 79 79 ALA CB C 13 18.85 0.30 . 1 . . . . 79 ALA CB . 16571 1 848 . 1 1 79 79 ALA N N 15 124.24 0.15 . 1 . . . . 79 ALA N . 16571 1 849 . 1 1 80 80 SER H H 1 8.11 0.01 . 1 . . . . 80 SER H . 16571 1 850 . 1 1 80 80 SER HA H 1 4.27 0.01 . 1 . . . . 80 SER HA . 16571 1 851 . 1 1 80 80 SER HB2 H 1 3.81 0.01 . 2 . . . . 80 SER HB2 . 16571 1 852 . 1 1 80 80 SER C C 13 174.60 0.30 . 1 . . . . 80 SER C . 16571 1 853 . 1 1 80 80 SER CA C 13 58.24 0.30 . 1 . . . . 80 SER CA . 16571 1 854 . 1 1 80 80 SER CB C 13 63.37 0.30 . 1 . . . . 80 SER CB . 16571 1 855 . 1 1 80 80 SER N N 15 114.53 0.15 . 1 . . . . 80 SER N . 16571 1 856 . 1 1 81 81 GLY H H 1 8.25 0.01 . 1 . . . . 81 GLY H . 16571 1 857 . 1 1 81 81 GLY HA2 H 1 3.86 0.01 . 2 . . . . 81 GLY HA2 . 16571 1 858 . 1 1 81 81 GLY C C 13 173.80 0.30 . 1 . . . . 81 GLY C . 16571 1 859 . 1 1 81 81 GLY CA C 13 45.17 0.30 . 1 . . . . 81 GLY CA . 16571 1 860 . 1 1 81 81 GLY N N 15 110.36 0.15 . 1 . . . . 81 GLY N . 16571 1 861 . 1 1 82 82 LEU H H 1 8.02 0.01 . 1 . . . . 82 LEU H . 16571 1 862 . 1 1 82 82 LEU HA H 1 4.39 0.01 . 1 . . . . 82 LEU HA . 16571 1 863 . 1 1 82 82 LEU HB2 H 1 2.52 0.01 . 2 . . . . 82 LEU HB2 . 16571 1 864 . 1 1 82 82 LEU HB3 H 1 2.36 0.01 . 2 . . . . 82 LEU HB3 . 16571 1 865 . 1 1 82 82 LEU HD11 H 1 0.82 0.01 . 2 . . . . 82 LEU MD1 . 16571 1 866 . 1 1 82 82 LEU HD12 H 1 0.82 0.01 . 2 . . . . 82 LEU MD1 . 16571 1 867 . 1 1 82 82 LEU HD13 H 1 0.82 0.01 . 2 . . . . 82 LEU MD1 . 16571 1 868 . 1 1 82 82 LEU HD21 H 1 0.99 0.01 . 2 . . . . 82 LEU MD2 . 16571 1 869 . 1 1 82 82 LEU HD22 H 1 0.99 0.01 . 2 . . . . 82 LEU MD2 . 16571 1 870 . 1 1 82 82 LEU HD23 H 1 0.99 0.01 . 2 . . . . 82 LEU MD2 . 16571 1 871 . 1 1 82 82 LEU HG H 1 1.67 0.01 . 1 . . . . 82 LEU HG . 16571 1 872 . 1 1 82 82 LEU C C 13 177.49 0.30 . 1 . . . . 82 LEU C . 16571 1 873 . 1 1 82 82 LEU CA C 13 54.93 0.30 . 1 . . . . 82 LEU CA . 16571 1 874 . 1 1 82 82 LEU CB C 13 41.66 0.30 . 1 . . . . 82 LEU CB . 16571 1 875 . 1 1 82 82 LEU CD1 C 13 28.68 0.30 . 2 . . . . 82 LEU CD1 . 16571 1 876 . 1 1 82 82 LEU CD2 C 13 24.36 0.30 . 2 . . . . 82 LEU CD2 . 16571 1 877 . 1 1 82 82 LEU CG C 13 28.69 0.30 . 1 . . . . 82 LEU CG . 16571 1 878 . 1 1 82 82 LEU N N 15 121.40 0.15 . 1 . . . . 82 LEU N . 16571 1 879 . 1 1 83 83 GLY H H 1 8.36 0.01 . 1 . . . . 83 GLY H . 16571 1 880 . 1 1 83 83 GLY HA2 H 1 3.82 0.01 . 2 . . . . 83 GLY HA2 . 16571 1 881 . 1 1 83 83 GLY C C 13 175.72 0.30 . 1 . . . . 83 GLY C . 16571 1 882 . 1 1 83 83 GLY CA C 13 44.98 0.30 . 1 . . . . 83 GLY CA . 16571 1 883 . 1 1 83 83 GLY N N 15 109.31 0.15 . 1 . . . . 83 GLY N . 16571 1 884 . 1 1 84 84 ARG H H 1 7.91 0.01 . 1 . . . . 84 ARG H . 16571 1 885 . 1 1 84 84 ARG HA H 1 4.16 0.01 . 1 . . . . 84 ARG HA . 16571 1 886 . 1 1 84 84 ARG HB2 H 1 1.65 0.01 . 2 . . . . 84 ARG HB2 . 16571 1 887 . 1 1 84 84 ARG HD2 H 1 2.91 0.01 . 2 . . . . 84 ARG HD2 . 16571 1 888 . 1 1 84 84 ARG HG2 H 1 2.15 0.01 . 2 . . . . 84 ARG HG2 . 16571 1 889 . 1 1 84 84 ARG HG3 H 1 1.72 0.01 . 2 . . . . 84 ARG HG3 . 16571 1 890 . 1 1 84 84 ARG C C 13 174.50 0.30 . 1 . . . . 84 ARG C . 16571 1 891 . 1 1 84 84 ARG CA C 13 56.05 0.30 . 1 . . . . 84 ARG CA . 16571 1 892 . 1 1 84 84 ARG CB C 13 32.40 0.30 . 1 . . . . 84 ARG CB . 16571 1 893 . 1 1 84 84 ARG CD C 13 41.60 0.30 . 1 . . . . 84 ARG CD . 16571 1 894 . 1 1 84 84 ARG CG C 13 24.23 0.30 . 1 . . . . 84 ARG CG . 16571 1 895 . 1 1 84 84 ARG N N 15 119.03 0.15 . 1 . . . . 84 ARG N . 16571 1 896 . 1 1 85 85 LYS H H 1 8.08 0.01 . 1 . . . . 85 LYS H . 16571 1 897 . 1 1 85 85 LYS HA H 1 4.22 0.01 . 1 . . . . 85 LYS HA . 16571 1 898 . 1 1 85 85 LYS HB2 H 1 1.76 0.01 . 2 . . . . 85 LYS HB2 . 16571 1 899 . 1 1 85 85 LYS HD2 H 1 1.60 0.01 . 2 . . . . 85 LYS HD2 . 16571 1 900 . 1 1 85 85 LYS HE2 H 1 2.85 0.01 . 2 . . . . 85 LYS HE2 . 16571 1 901 . 1 1 85 85 LYS HG2 H 1 1.38 0.01 . 2 . . . . 85 LYS HG2 . 16571 1 902 . 1 1 85 85 LYS C C 13 175.50 0.30 . 1 . . . . 85 LYS C . 16571 1 903 . 1 1 85 85 LYS CA C 13 55.71 0.30 . 1 . . . . 85 LYS CA . 16571 1 904 . 1 1 85 85 LYS CB C 13 32.65 0.30 . 1 . . . . 85 LYS CB . 16571 1 905 . 1 1 85 85 LYS CD C 13 29.21 0.30 . 1 . . . . 85 LYS CD . 16571 1 906 . 1 1 85 85 LYS CE C 13 42.02 0.30 . 1 . . . . 85 LYS CE . 16571 1 907 . 1 1 85 85 LYS CG C 13 24.52 0.30 . 1 . . . . 85 LYS CG . 16571 1 908 . 1 1 85 85 LYS N N 15 122.15 0.15 . 1 . . . . 85 LYS N . 16571 1 909 . 1 1 86 86 ALA H H 1 8.13 0.01 . 1 . . . . 86 ALA H . 16571 1 910 . 1 1 86 86 ALA HA H 1 4.19 0.01 . 1 . . . . 86 ALA HA . 16571 1 911 . 1 1 86 86 ALA HB1 H 1 1.25 0.01 . 1 . . . . 86 ALA MB . 16571 1 912 . 1 1 86 86 ALA HB2 H 1 1.25 0.01 . 1 . . . . 86 ALA MB . 16571 1 913 . 1 1 86 86 ALA HB3 H 1 1.25 0.01 . 1 . . . . 86 ALA MB . 16571 1 914 . 1 1 86 86 ALA C C 13 176.30 0.30 . 1 . . . . 86 ALA C . 16571 1 915 . 1 1 86 86 ALA CA C 13 51.71 0.30 . 1 . . . . 86 ALA CA . 16571 1 916 . 1 1 86 86 ALA CB C 13 19.13 0.30 . 1 . . . . 86 ALA CB . 16571 1 917 . 1 1 86 86 ALA N N 15 125.60 0.15 . 1 . . . . 86 ALA N . 16571 1 918 . 1 1 87 87 ALA H H 1 8.18 0.01 . 1 . . . . 87 ALA H . 16571 1 919 . 1 1 87 87 ALA HA H 1 4.17 0.01 . 1 . . . . 87 ALA HA . 16571 1 920 . 1 1 87 87 ALA HB1 H 1 1.27 0.01 . 1 . . . . 87 ALA MB . 16571 1 921 . 1 1 87 87 ALA HB2 H 1 1.27 0.01 . 1 . . . . 87 ALA MB . 16571 1 922 . 1 1 87 87 ALA HB3 H 1 1.27 0.01 . 1 . . . . 87 ALA MB . 16571 1 923 . 1 1 87 87 ALA CA C 13 49.84 0.30 . 1 . . . . 87 ALA CA . 16571 1 924 . 1 1 87 87 ALA CB C 13 17.91 0.30 . 1 . . . . 87 ALA CB . 16571 1 925 . 1 1 87 87 ALA N N 15 125.13 0.15 . 1 . . . . 87 ALA N . 16571 1 926 . 1 1 88 88 PRO HA H 1 4.30 0.01 . 1 . . . . 88 PRO HA . 16571 1 927 . 1 1 88 88 PRO HB2 H 1 2.19 0.01 . 2 . . . . 88 PRO HB2 . 16571 1 928 . 1 1 88 88 PRO HB3 H 1 1.79 0.01 . 2 . . . . 88 PRO HB3 . 16571 1 929 . 1 1 88 88 PRO HD2 H 1 3.70 0.01 . 2 . . . . 88 PRO HD2 . 16571 1 930 . 1 1 88 88 PRO HD3 H 1 3.55 0.01 . 2 . . . . 88 PRO HD3 . 16571 1 931 . 1 1 88 88 PRO HG2 H 1 1.93 0.01 . 2 . . . . 88 PRO HG2 . 16571 1 932 . 1 1 88 88 PRO C C 13 176.86 0.30 . 1 . . . . 88 PRO C . 16571 1 933 . 1 1 88 88 PRO CA C 13 62.33 0.30 . 1 . . . . 88 PRO CA . 16571 1 934 . 1 1 88 88 PRO CB C 13 31.71 0.30 . 1 . . . . 88 PRO CB . 16571 1 935 . 1 1 88 88 PRO CD C 13 50.04 0.30 . 1 . . . . 88 PRO CD . 16571 1 936 . 1 1 88 88 PRO CG C 13 26.89 0.30 . 1 . . . . 88 PRO CG . 16571 1 937 . 1 1 89 89 VAL H H 1 8.14 0.01 . 1 . . . . 89 VAL H . 16571 1 938 . 1 1 89 89 VAL HA H 1 3.96 0.01 . 1 . . . . 89 VAL HA . 16571 1 939 . 1 1 89 89 VAL HB H 1 1.95 0.01 . 1 . . . . 89 VAL HB . 16571 1 940 . 1 1 89 89 VAL HG11 H 1 0.86 0.01 . 2 . . . . 89 VAL MG1 . 16571 1 941 . 1 1 89 89 VAL HG12 H 1 0.86 0.01 . 2 . . . . 89 VAL MG1 . 16571 1 942 . 1 1 89 89 VAL HG13 H 1 0.86 0.01 . 2 . . . . 89 VAL MG1 . 16571 1 943 . 1 1 89 89 VAL C C 13 175.52 0.30 . 1 . . . . 89 VAL C . 16571 1 944 . 1 1 89 89 VAL CA C 13 61.70 0.30 . 1 . . . . 89 VAL CA . 16571 1 945 . 1 1 89 89 VAL CB C 13 32.02 0.30 . 1 . . . . 89 VAL CB . 16571 1 946 . 1 1 89 89 VAL CG1 C 13 20.46 0.30 . 2 . . . . 89 VAL CG1 . 16571 1 947 . 1 1 89 89 VAL N N 15 120.84 0.15 . 1 . . . . 89 VAL N . 16571 1 948 . 1 1 90 90 LYS H H 1 8.28 0.01 . 1 . . . . 90 LYS H . 16571 1 949 . 1 1 90 90 LYS HA H 1 4.19 0.01 . 1 . . . . 90 LYS HA . 16571 1 950 . 1 1 90 90 LYS HB2 H 1 1.61 0.01 . 2 . . . . 90 LYS HB2 . 16571 1 951 . 1 1 90 90 LYS HD2 H 1 1.59 0.01 . 2 . . . . 90 LYS HD2 . 16571 1 952 . 1 1 90 90 LYS HE2 H 1 2.90 0.01 . 2 . . . . 90 LYS HE2 . 16571 1 953 . 1 1 90 90 LYS HG2 H 1 1.49 0.01 . 2 . . . . 90 LYS HG2 . 16571 1 954 . 1 1 90 90 LYS HG3 H 1 1.21 0.01 . 2 . . . . 90 LYS HG3 . 16571 1 955 . 1 1 90 90 LYS C C 13 177.65 0.30 . 1 . . . . 90 LYS C . 16571 1 956 . 1 1 90 90 LYS CA C 13 55.46 0.30 . 1 . . . . 90 LYS CA . 16571 1 957 . 1 1 90 90 LYS CB C 13 32.64 0.30 . 1 . . . . 90 LYS CB . 16571 1 958 . 1 1 90 90 LYS CD C 13 28.27 0.30 . 1 . . . . 90 LYS CD . 16571 1 959 . 1 1 90 90 LYS CE C 13 38.89 0.30 . 1 . . . . 90 LYS CE . 16571 1 960 . 1 1 90 90 LYS CG C 13 24.21 0.30 . 1 . . . . 90 LYS CG . 16571 1 961 . 1 1 90 90 LYS N N 15 125.77 0.15 . 1 . . . . 90 LYS N . 16571 1 962 . 1 1 91 91 LYS H H 1 8.27 0.01 . 1 . . . . 91 LYS H . 16571 1 963 . 1 1 91 91 LYS HA H 1 4.39 0.01 . 1 . . . . 91 LYS HA . 16571 1 964 . 1 1 91 91 LYS HB2 H 1 1.67 0.01 . 2 . . . . 91 LYS HB2 . 16571 1 965 . 1 1 91 91 LYS HD2 H 1 1.60 0.01 . 2 . . . . 91 LYS HD2 . 16571 1 966 . 1 1 91 91 LYS HE2 H 1 2.92 0.01 . 2 . . . . 91 LYS HE2 . 16571 1 967 . 1 1 91 91 LYS HG2 H 1 1.36 0.01 . 2 . . . . 91 LYS HG2 . 16571 1 968 . 1 1 91 91 LYS C C 13 175.21 0.30 . 1 . . . . 91 LYS C . 16571 1 969 . 1 1 91 91 LYS CA C 13 54.97 0.30 . 1 . . . . 91 LYS CA . 16571 1 970 . 1 1 91 91 LYS CB C 13 32.55 0.30 . 1 . . . . 91 LYS CB . 16571 1 971 . 1 1 91 91 LYS CD C 13 28.60 0.30 . 1 . . . . 91 LYS CD . 16571 1 972 . 1 1 91 91 LYS CE C 13 42.00 0.30 . 1 . . . . 91 LYS CE . 16571 1 973 . 1 1 91 91 LYS CG C 13 24.13 0.30 . 1 . . . . 91 LYS CG . 16571 1 974 . 1 1 91 91 LYS N N 15 123.09 0.15 . 1 . . . . 91 LYS N . 16571 1 975 . 1 1 92 92 ALA H H 1 8.29 0.01 . 1 . . . . 92 ALA H . 16571 1 976 . 1 1 92 92 ALA HA H 1 4.20 0.01 . 1 . . . . 92 ALA HA . 16571 1 977 . 1 1 92 92 ALA HB1 H 1 1.27 0.01 . 1 . . . . 92 ALA MB . 16571 1 978 . 1 1 92 92 ALA HB2 H 1 1.27 0.01 . 1 . . . . 92 ALA MB . 16571 1 979 . 1 1 92 92 ALA HB3 H 1 1.27 0.01 . 1 . . . . 92 ALA MB . 16571 1 980 . 1 1 92 92 ALA CA C 13 52.22 0.30 . 1 . . . . 92 ALA CA . 16571 1 981 . 1 1 92 92 ALA CB C 13 18.99 0.30 . 1 . . . . 92 ALA CB . 16571 1 982 . 1 1 92 92 ALA N N 15 127.15 0.15 . 1 . . . . 92 ALA N . 16571 1 983 . 1 1 93 93 PRO HA H 1 4.30 0.01 . 1 . . . . 93 PRO HA . 16571 1 984 . 1 1 93 93 PRO HB2 H 1 2.20 0.01 . 2 . . . . 93 PRO HB2 . 16571 1 985 . 1 1 93 93 PRO HB3 H 1 1.78 0.01 . 2 . . . . 93 PRO HB3 . 16571 1 986 . 1 1 93 93 PRO HD2 H 1 3.55 0.01 . 2 . . . . 93 PRO HD2 . 16571 1 987 . 1 1 93 93 PRO HG2 H 1 1.93 0.01 . 2 . . . . 93 PRO HG2 . 16571 1 988 . 1 1 93 93 PRO C C 13 176.01 0.30 . 1 . . . . 93 PRO C . 16571 1 989 . 1 1 93 93 PRO CA C 13 62.34 0.30 . 1 . . . . 93 PRO CA . 16571 1 990 . 1 1 93 93 PRO CB C 13 31.66 0.30 . 1 . . . . 93 PRO CB . 16571 1 991 . 1 1 93 93 PRO CD C 13 49.83 0.30 . 1 . . . . 93 PRO CD . 16571 1 992 . 1 1 93 93 PRO CG C 13 26.90 0.30 . 1 . . . . 93 PRO CG . 16571 1 993 . 1 1 94 94 ALA H H 1 8.27 0.01 . 1 . . . . 94 ALA H . 16571 1 994 . 1 1 94 94 ALA HA H 1 4.52 0.01 . 1 . . . . 94 ALA HA . 16571 1 995 . 1 1 94 94 ALA HB1 H 1 1.32 0.01 . 1 . . . . 94 ALA MB . 16571 1 996 . 1 1 94 94 ALA HB2 H 1 1.32 0.01 . 1 . . . . 94 ALA MB . 16571 1 997 . 1 1 94 94 ALA HB3 H 1 1.32 0.01 . 1 . . . . 94 ALA MB . 16571 1 998 . 1 1 94 94 ALA C C 13 173.74 0.30 . 1 . . . . 94 ALA C . 16571 1 999 . 1 1 94 94 ALA CA C 13 52.23 0.30 . 1 . . . . 94 ALA CA . 16571 1 1000 . 1 1 94 94 ALA CB C 13 18.83 0.30 . 1 . . . . 94 ALA CB . 16571 1 1001 . 1 1 94 94 ALA N N 15 124.50 0.15 . 1 . . . . 94 ALA N . 16571 1 1002 . 1 1 95 95 LYS H H 1 7.95 0.01 . 1 . . . . 95 LYS H . 16571 1 1003 . 1 1 95 95 LYS HA H 1 3.89 0.01 . 1 . . . . 95 LYS HA . 16571 1 1004 . 1 1 95 95 LYS HB2 H 1 1.92 0.01 . 2 . . . . 95 LYS HB2 . 16571 1 1005 . 1 1 95 95 LYS HD2 H 1 1.77 0.01 . 2 . . . . 95 LYS HD2 . 16571 1 1006 . 1 1 95 95 LYS HE2 H 1 2.99 0.01 . 2 . . . . 95 LYS HE2 . 16571 1 1007 . 1 1 95 95 LYS HE3 H 1 2.87 0.01 . 2 . . . . 95 LYS HE3 . 16571 1 1008 . 1 1 95 95 LYS HG2 H 1 1.33 0.01 . 2 . . . . 95 LYS HG2 . 16571 1 1009 . 1 1 95 95 LYS C C 13 176.09 0.30 . 1 . . . . 95 LYS C . 16571 1 1010 . 1 1 95 95 LYS CA C 13 55.77 0.30 . 1 . . . . 95 LYS CA . 16571 1 1011 . 1 1 95 95 LYS CB C 13 32.64 0.30 . 1 . . . . 95 LYS CB . 16571 1 1012 . 1 1 95 95 LYS CD C 13 28.71 0.30 . 1 . . . . 95 LYS CD . 16571 1 1013 . 1 1 95 95 LYS CE C 13 41.76 0.30 . 1 . . . . 95 LYS CE . 16571 1 1014 . 1 1 95 95 LYS CG C 13 24.42 0.30 . 1 . . . . 95 LYS CG . 16571 1 1015 . 1 1 95 95 LYS N N 15 120.84 0.15 . 1 . . . . 95 LYS N . 16571 1 1016 . 1 1 96 96 ARG H H 1 8.10 0.01 . 1 . . . . 96 ARG H . 16571 1 1017 . 1 1 96 96 ARG HA H 1 3.99 0.01 . 1 . . . . 96 ARG HA . 16571 1 1018 . 1 1 96 96 ARG HB2 H 1 1.92 0.01 . 2 . . . . 96 ARG HB2 . 16571 1 1019 . 1 1 96 96 ARG HD2 H 1 2.87 0.01 . 2 . . . . 96 ARG HD2 . 16571 1 1020 . 1 1 96 96 ARG HG2 H 1 1.57 0.01 . 2 . . . . 96 ARG HG2 . 16571 1 1021 . 1 1 96 96 ARG C C 13 176.00 0.30 . 1 . . . . 96 ARG C . 16571 1 1022 . 1 1 96 96 ARG CA C 13 55.78 0.30 . 1 . . . . 96 ARG CA . 16571 1 1023 . 1 1 96 96 ARG CB C 13 32.66 0.30 . 1 . . . . 96 ARG CB . 16571 1 1024 . 1 1 96 96 ARG CD C 13 41.69 0.30 . 1 . . . . 96 ARG CD . 16571 1 1025 . 1 1 96 96 ARG CG C 13 24.37 0.30 . 1 . . . . 96 ARG CG . 16571 1 1026 . 1 1 96 96 ARG N N 15 120.28 0.15 . 1 . . . . 96 ARG N . 16571 1 1027 . 1 1 97 97 LYS H H 1 8.26 0.01 . 1 . . . . 97 LYS H . 16571 1 1028 . 1 1 97 97 LYS HA H 1 4.39 0.01 . 1 . . . . 97 LYS HA . 16571 1 1029 . 1 1 97 97 LYS HB2 H 1 1.72 0.01 . 2 . . . . 97 LYS HB2 . 16571 1 1030 . 1 1 97 97 LYS HD2 H 1 1.79 0.01 . 2 . . . . 97 LYS HD2 . 16571 1 1031 . 1 1 97 97 LYS HE2 H 1 2.51 0.01 . 2 . . . . 97 LYS HE2 . 16571 1 1032 . 1 1 97 97 LYS HG2 H 1 1.20 0.01 . 2 . . . . 97 LYS HG2 . 16571 1 1033 . 1 1 97 97 LYS C C 13 174.51 0.30 . 1 . . . . 97 LYS C . 16571 1 1034 . 1 1 97 97 LYS CA C 13 54.01 0.30 . 1 . . . . 97 LYS CA . 16571 1 1035 . 1 1 97 97 LYS CB C 13 31.78 0.30 . 1 . . . . 97 LYS CB . 16571 1 1036 . 1 1 97 97 LYS CD C 13 28.90 0.30 . 1 . . . . 97 LYS CD . 16571 1 1037 . 1 1 97 97 LYS CE C 13 40.56 0.30 . 1 . . . . 97 LYS CE . 16571 1 1038 . 1 1 97 97 LYS CG C 13 24.60 0.30 . 1 . . . . 97 LYS CG . 16571 1 1039 . 1 1 97 97 LYS N N 15 124.78 0.15 . 1 . . . . 97 LYS N . 16571 1 1040 . 1 1 98 98 ALA H H 1 7.99 0.01 . 1 . . . . 98 ALA H . 16571 1 1041 . 1 1 98 98 ALA HA H 1 4.38 0.01 . 1 . . . . 98 ALA HA . 16571 1 1042 . 1 1 98 98 ALA HB1 H 1 1.23 0.01 . 1 . . . . 98 ALA MB . 16571 1 1043 . 1 1 98 98 ALA HB2 H 1 1.23 0.01 . 1 . . . . 98 ALA MB . 16571 1 1044 . 1 1 98 98 ALA HB3 H 1 1.23 0.01 . 1 . . . . 98 ALA MB . 16571 1 1045 . 1 1 98 98 ALA C C 13 177.18 0.30 . 1 . . . . 98 ALA C . 16571 1 1046 . 1 1 98 98 ALA CA C 13 53.69 0.30 . 1 . . . . 98 ALA CA . 16571 1 1047 . 1 1 98 98 ALA CB C 13 19.56 0.30 . 1 . . . . 98 ALA CB . 16571 1 1048 . 1 1 98 98 ALA N N 15 125.06 0.15 . 1 . . . . 98 ALA N . 16571 1 1049 . 1 1 99 99 LYS H H 1 8.17 0.01 . 1 . . . . 99 LYS H . 16571 1 1050 . 1 1 99 99 LYS HA H 1 4.15 0.01 . 1 . . . . 99 LYS HA . 16571 1 1051 . 1 1 99 99 LYS HB2 H 1 1.65 0.01 . 2 . . . . 99 LYS HB2 . 16571 1 1052 . 1 1 99 99 LYS HD2 H 1 1.77 0.01 . 2 . . . . 99 LYS HD2 . 16571 1 1053 . 1 1 99 99 LYS HE2 H 1 3.11 0.01 . 2 . . . . 99 LYS HE2 . 16571 1 1054 . 1 1 99 99 LYS HG2 H 1 1.34 0.01 . 2 . . . . 99 LYS HG2 . 16571 1 1055 . 1 1 99 99 LYS C C 13 174.60 0.30 . 1 . . . . 99 LYS C . 16571 1 1056 . 1 1 99 99 LYS CA C 13 55.77 0.30 . 1 . . . . 99 LYS CA . 16571 1 1057 . 1 1 99 99 LYS CB C 13 32.64 0.30 . 1 . . . . 99 LYS CB . 16571 1 1058 . 1 1 99 99 LYS CD C 13 28.58 0.30 . 1 . . . . 99 LYS CD . 16571 1 1059 . 1 1 99 99 LYS CE C 13 41.71 0.30 . 1 . . . . 99 LYS CE . 16571 1 1060 . 1 1 99 99 LYS CG C 13 24.52 0.30 . 1 . . . . 99 LYS CG . 16571 1 1061 . 1 1 99 99 LYS N N 15 120.90 0.15 . 1 . . . . 99 LYS N . 16571 1 1062 . 1 1 100 100 ALA H H 1 7.88 0.01 . 1 . . . . 100 ALA H . 16571 1 1063 . 1 1 100 100 ALA HA H 1 4.14 0.01 . 1 . . . . 100 ALA HA . 16571 1 1064 . 1 1 100 100 ALA HB1 H 1 1.44 0.01 . 1 . . . . 100 ALA MB . 16571 1 1065 . 1 1 100 100 ALA HB2 H 1 1.44 0.01 . 1 . . . . 100 ALA MB . 16571 1 1066 . 1 1 100 100 ALA HB3 H 1 1.44 0.01 . 1 . . . . 100 ALA MB . 16571 1 1067 . 1 1 100 100 ALA CA C 13 53.39 0.30 . 1 . . . . 100 ALA CA . 16571 1 1068 . 1 1 100 100 ALA CB C 13 19.87 0.30 . 1 . . . . 100 ALA CB . 16571 1 1069 . 1 1 100 100 ALA N N 15 131.24 0.15 . 1 . . . . 100 ALA N . 16571 1 stop_ save_