data_6010 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6010 _Entry.Title ; High-Resolution NMR Structure of the Conserved Hypothetical Protein TM0979 from Thermotoga maritima ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-11-19 _Entry.Accession_date 2003-11-19 _Entry.Last_release_date 2005-03-01 _Entry.Original_release_date 2005-03-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Wolfgang Peti . . . 6010 2 Torsten Herrmann . . . 6010 3 Kurt Wuthrich . . . 6010 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6010 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 582 6010 '13C chemical shifts' 365 6010 '15N chemical shifts' 85 6010 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-03-01 2003-11-19 original author . 6010 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6010 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15723348 _Citation.Full_citation . _Citation.Title ; NMR structure of the conserved hypothetical protein TM0979 from Thermotoga maritima ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 59 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 387 _Citation.Page_last 390 _Citation.Year 2005 _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 Wolfgang Peti . . . 6010 1 2 Torsten Herrmann . . . 6010 1 3 O. Zagnitko . . . 6010 1 4 S. Grzechnik . K. . 6010 1 5 Kurt Wuthrich . . . 6010 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 6010 1 structure 6010 1 JCSG 6010 1 TM0979 6010 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_tm0979 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_tm0979 _Assembly.Entry_ID 6010 _Assembly.ID 1 _Assembly.Name tm0979 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6010 1 stop_ 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 'tm0979 monomer' 1 $tm0979 . . . native . . . . . 6010 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes pdb 1RHX . . . . . . 6010 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID tm0979 system 6010 1 tm0979 abbreviation 6010 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'dsrH protein' 6010 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_tm0979 _Entity.Sf_category entity _Entity.Sf_framecode tm0979 _Entity.Entry_ID 6010 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TM0979 _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 ; MALVLVKYGTDHPVEKLKIR SAKAEDKIVLIQNGVFWALE ELETPAKVYAIKDDFLARGY SEEDSKVPLITYSEFIDLLE GEEKFIG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 BMRB 6324 . TM0979 . . . . . 100.00 107 100.00 100.00 2.96e-54 . . . . 6010 1 2 no PDB 1RHX . "High-Resolution Nmr Structure Of A Putative Sulfur Transferase (Tm0979) From Thermotoga Maritima" . . . . . 100.00 87 100.00 100.00 6.73e-54 . . . . 6010 1 3 no PDB 1X9A . "Solution Nmr Structure Of Protein Tm0979 From Thermotoga Maritima. Ontario Center For Structural Proteomics Target Tm0979_1_87;" . . . . . 100.00 107 100.00 100.00 2.96e-54 . . . . 6010 1 4 no GB AAD36058 . "conserved hypothetical protein [Thermotoga maritima MSB8]" . . . . . 100.00 87 100.00 100.00 6.73e-54 . . . . 6010 1 5 no GB AAZ04321 . "ACR [Thermotoga sp. RQ2]" . . . . . 100.00 87 97.70 97.70 1.54e-52 . . . . 6010 1 6 no GB ABQ47763 . "DsrH family protein [Thermotoga petrophila RKU-1]" . . . . . 100.00 87 97.70 97.70 1.54e-52 . . . . 6010 1 7 no GB ACB10146 . "DsrH family protein [Thermotoga sp. RQ2]" . . . . . 100.00 87 97.70 97.70 1.54e-52 . . . . 6010 1 8 no GB ACM23775 . "DsrH family protein [Thermotoga neapolitana DSM 4359]" . . . . . 100.00 87 100.00 100.00 6.73e-54 . . . . 6010 1 9 no REF NP_228787 . "hypothetical protein TM0979 [Thermotoga maritima MSB8]" . . . . . 100.00 87 100.00 100.00 6.73e-54 . . . . 6010 1 10 no REF WP_004080586 . "MULTISPECIES: DsrH family protein [Thermotoga]" . . . . . 100.00 87 100.00 100.00 6.73e-54 . . . . 6010 1 11 no REF WP_011944167 . "MULTISPECIES: DsrH family protein [Thermotoga]" . . . . . 100.00 87 97.70 97.70 1.54e-52 . . . . 6010 1 12 no REF YP_001245339 . "DsrH family protein [Thermotoga petrophila RKU-1]" . . . . . 100.00 87 97.70 97.70 1.54e-52 . . . . 6010 1 13 no REF YP_001739829 . "DsrH family protein [Thermotoga sp. RQ2]" . . . . . 100.00 87 97.70 97.70 1.54e-52 . . . . 6010 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID TM0979 common 6010 1 TM0979 abbreviation 6010 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6010 1 2 . ALA . 6010 1 3 . LEU . 6010 1 4 . VAL . 6010 1 5 . LEU . 6010 1 6 . VAL . 6010 1 7 . LYS . 6010 1 8 . TYR . 6010 1 9 . GLY . 6010 1 10 . THR . 6010 1 11 . ASP . 6010 1 12 . HIS . 6010 1 13 . PRO . 6010 1 14 . VAL . 6010 1 15 . GLU . 6010 1 16 . LYS . 6010 1 17 . LEU . 6010 1 18 . LYS . 6010 1 19 . ILE . 6010 1 20 . ARG . 6010 1 21 . SER . 6010 1 22 . ALA . 6010 1 23 . LYS . 6010 1 24 . ALA . 6010 1 25 . GLU . 6010 1 26 . ASP . 6010 1 27 . LYS . 6010 1 28 . ILE . 6010 1 29 . VAL . 6010 1 30 . LEU . 6010 1 31 . ILE . 6010 1 32 . GLN . 6010 1 33 . ASN . 6010 1 34 . GLY . 6010 1 35 . VAL . 6010 1 36 . PHE . 6010 1 37 . TRP . 6010 1 38 . ALA . 6010 1 39 . LEU . 6010 1 40 . GLU . 6010 1 41 . GLU . 6010 1 42 . LEU . 6010 1 43 . GLU . 6010 1 44 . THR . 6010 1 45 . PRO . 6010 1 46 . ALA . 6010 1 47 . LYS . 6010 1 48 . VAL . 6010 1 49 . TYR . 6010 1 50 . ALA . 6010 1 51 . ILE . 6010 1 52 . LYS . 6010 1 53 . ASP . 6010 1 54 . ASP . 6010 1 55 . PHE . 6010 1 56 . LEU . 6010 1 57 . ALA . 6010 1 58 . ARG . 6010 1 59 . GLY . 6010 1 60 . TYR . 6010 1 61 . SER . 6010 1 62 . GLU . 6010 1 63 . GLU . 6010 1 64 . ASP . 6010 1 65 . SER . 6010 1 66 . LYS . 6010 1 67 . VAL . 6010 1 68 . PRO . 6010 1 69 . LEU . 6010 1 70 . ILE . 6010 1 71 . THR . 6010 1 72 . TYR . 6010 1 73 . SER . 6010 1 74 . GLU . 6010 1 75 . PHE . 6010 1 76 . ILE . 6010 1 77 . ASP . 6010 1 78 . LEU . 6010 1 79 . LEU . 6010 1 80 . GLU . 6010 1 81 . GLY . 6010 1 82 . GLU . 6010 1 83 . GLU . 6010 1 84 . LYS . 6010 1 85 . PHE . 6010 1 86 . ILE . 6010 1 87 . GLY . 6010 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6010 1 . ALA 2 2 6010 1 . LEU 3 3 6010 1 . VAL 4 4 6010 1 . LEU 5 5 6010 1 . VAL 6 6 6010 1 . LYS 7 7 6010 1 . TYR 8 8 6010 1 . GLY 9 9 6010 1 . THR 10 10 6010 1 . ASP 11 11 6010 1 . HIS 12 12 6010 1 . PRO 13 13 6010 1 . VAL 14 14 6010 1 . GLU 15 15 6010 1 . LYS 16 16 6010 1 . LEU 17 17 6010 1 . LYS 18 18 6010 1 . ILE 19 19 6010 1 . ARG 20 20 6010 1 . SER 21 21 6010 1 . ALA 22 22 6010 1 . LYS 23 23 6010 1 . ALA 24 24 6010 1 . GLU 25 25 6010 1 . ASP 26 26 6010 1 . LYS 27 27 6010 1 . ILE 28 28 6010 1 . VAL 29 29 6010 1 . LEU 30 30 6010 1 . ILE 31 31 6010 1 . GLN 32 32 6010 1 . ASN 33 33 6010 1 . GLY 34 34 6010 1 . VAL 35 35 6010 1 . PHE 36 36 6010 1 . TRP 37 37 6010 1 . ALA 38 38 6010 1 . LEU 39 39 6010 1 . GLU 40 40 6010 1 . GLU 41 41 6010 1 . LEU 42 42 6010 1 . GLU 43 43 6010 1 . THR 44 44 6010 1 . PRO 45 45 6010 1 . ALA 46 46 6010 1 . LYS 47 47 6010 1 . VAL 48 48 6010 1 . TYR 49 49 6010 1 . ALA 50 50 6010 1 . ILE 51 51 6010 1 . LYS 52 52 6010 1 . ASP 53 53 6010 1 . ASP 54 54 6010 1 . PHE 55 55 6010 1 . LEU 56 56 6010 1 . ALA 57 57 6010 1 . ARG 58 58 6010 1 . GLY 59 59 6010 1 . TYR 60 60 6010 1 . SER 61 61 6010 1 . GLU 62 62 6010 1 . GLU 63 63 6010 1 . ASP 64 64 6010 1 . SER 65 65 6010 1 . LYS 66 66 6010 1 . VAL 67 67 6010 1 . PRO 68 68 6010 1 . LEU 69 69 6010 1 . ILE 70 70 6010 1 . THR 71 71 6010 1 . TYR 72 72 6010 1 . SER 73 73 6010 1 . GLU 74 74 6010 1 . PHE 75 75 6010 1 . ILE 76 76 6010 1 . ASP 77 77 6010 1 . LEU 78 78 6010 1 . LEU 79 79 6010 1 . GLU 80 80 6010 1 . GLY 81 81 6010 1 . GLU 82 82 6010 1 . GLU 83 83 6010 1 . LYS 84 84 6010 1 . PHE 85 85 6010 1 . ILE 86 86 6010 1 . GLY 87 87 6010 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 6010 _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 $tm0979 . 2336 . . 'Thermotoga maritima' 'Thermotoga maritima' . . Eubacteria . Thermotoga maritima . . . . . . . . . . . . . . . . . . . . . 6010 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 6010 _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 $tm0979 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6010 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6010 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 TM0979 '[U-13C; U-15N]' . . 1 $tm0979 . . . 2 10 mM . . . . 6010 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6010 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 TM0979 [U-15N] . . 1 $tm0979 . . . 2 10 mM . . . . 6010 2 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 6010 _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 pH* 6.0 0.2 na 6010 1 temperature 313 0.2 K 6010 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 6010 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6010 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6010 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6010 _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 NMR_spectrometer_1 Bruker Avance . 600 . . . 6010 1 2 NMR_spectrometer Bruker DRX . 800 . . . 6010 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 6010 _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 '15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6010 1 2 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6010 1 3 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6010 1 4 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6010 1 5 HBHACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6010 1 6 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6010 1 7 '15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6010 1 8 '13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6010 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6010 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6010 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6010 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6010 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6010 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HBHACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6010 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6010 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6010 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6010 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 6010 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6010 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6010 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_tm0979_chemical_shift _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode tm0979_chemical_shift _Assigned_chem_shift_list.Entry_ID 6010 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 '15N HSQC' . . . 6010 1 2 HNCACB . . . 6010 1 3 CBCACONH . . . 6010 1 4 HCCH-TOCSY . . . 6010 1 5 HBHACONH . . . 6010 1 6 HNCO . . . 6010 1 7 '15N NOESY' . . . 6010 1 8 '13C NOESY' . . . 6010 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA CA C 13 51.698 0.04 . . . . . . . . . . 6010 1 2 . 1 1 2 2 ALA HA H 1 4.344 0.02 . . . . . . . . . . 6010 1 3 . 1 1 2 2 ALA HB1 H 1 1.483 0.02 . . . . . . . . . . 6010 1 4 . 1 1 2 2 ALA HB2 H 1 1.483 0.02 . . . . . . . . . . 6010 1 5 . 1 1 2 2 ALA HB3 H 1 1.483 0.02 . . . . . . . . . . 6010 1 6 . 1 1 2 2 ALA CB C 13 19.714 0.04 . . . . . . . . . . 6010 1 7 . 1 1 2 2 ALA C C 13 172.922 0.04 . . . . . . . . . . 6010 1 8 . 1 1 3 3 LEU N N 15 123.069 0.03 . . . . . . . . . . 6010 1 9 . 1 1 3 3 LEU H H 1 8.619 0.02 . . . . . . . . . . 6010 1 10 . 1 1 3 3 LEU CA C 13 53.745 0.04 . . . . . . . . . . 6010 1 11 . 1 1 3 3 LEU HA H 1 5.239 0.02 . . . . . . . . . . 6010 1 12 . 1 1 3 3 LEU CB C 13 43.254 0.04 . . . . . . . . . . 6010 1 13 . 1 1 3 3 LEU HB2 H 1 1.962 0.02 . . . . . . . . . . 6010 1 14 . 1 1 3 3 LEU HB3 H 1 1.500 0.02 . . . . . . . . . . 6010 1 15 . 1 1 3 3 LEU CG C 13 27.646 0.04 . . . . . . . . . . 6010 1 16 . 1 1 3 3 LEU HG H 1 1.635 0.02 . . . . . . . . . . 6010 1 17 . 1 1 3 3 LEU HD11 H 1 0.905 0.02 . . . . . . . . . . 6010 1 18 . 1 1 3 3 LEU HD12 H 1 0.905 0.02 . . . . . . . . . . 6010 1 19 . 1 1 3 3 LEU HD13 H 1 0.905 0.02 . . . . . . . . . . 6010 1 20 . 1 1 3 3 LEU HD21 H 1 0.906 0.02 . . . . . . . . . . 6010 1 21 . 1 1 3 3 LEU HD22 H 1 0.906 0.02 . . . . . . . . . . 6010 1 22 . 1 1 3 3 LEU HD23 H 1 0.906 0.02 . . . . . . . . . . 6010 1 23 . 1 1 3 3 LEU CD1 C 13 25.599 0.04 . . . . . . . . . . 6010 1 24 . 1 1 3 3 LEU CD2 C 13 25.599 0.04 . . . . . . . . . . 6010 1 25 . 1 1 3 3 LEU C C 13 174.887 0.04 . . . . . . . . . . 6010 1 26 . 1 1 4 4 VAL N N 15 128.980 0.03 . . . . . . . . . . 6010 1 27 . 1 1 4 4 VAL H H 1 9.373 0.02 . . . . . . . . . . 6010 1 28 . 1 1 4 4 VAL CA C 13 61.165 0.04 . . . . . . . . . . 6010 1 29 . 1 1 4 4 VAL HA H 1 4.465 0.02 . . . . . . . . . . 6010 1 30 . 1 1 4 4 VAL CB C 13 33.275 0.04 . . . . . . . . . . 6010 1 31 . 1 1 4 4 VAL HB H 1 2.082 0.02 . . . . . . . . . . 6010 1 32 . 1 1 4 4 VAL HG11 H 1 0.813 0.02 . . . . . . . . . . 6010 1 33 . 1 1 4 4 VAL HG12 H 1 0.813 0.02 . . . . . . . . . . 6010 1 34 . 1 1 4 4 VAL HG13 H 1 0.813 0.02 . . . . . . . . . . 6010 1 35 . 1 1 4 4 VAL HG21 H 1 0.859 0.02 . . . . . . . . . . 6010 1 36 . 1 1 4 4 VAL HG22 H 1 0.859 0.02 . . . . . . . . . . 6010 1 37 . 1 1 4 4 VAL HG23 H 1 0.859 0.02 . . . . . . . . . . 6010 1 38 . 1 1 4 4 VAL CG1 C 13 20.738 0.04 . . . . . . . . . . 6010 1 39 . 1 1 4 4 VAL CG2 C 13 19.970 0.04 . . . . . . . . . . 6010 1 40 . 1 1 4 4 VAL C C 13 174.071 0.04 . . . . . . . . . . 6010 1 41 . 1 1 5 5 LEU N N 15 127.475 0.03 . . . . . . . . . . 6010 1 42 . 1 1 5 5 LEU H H 1 8.856 0.02 . . . . . . . . . . 6010 1 43 . 1 1 5 5 LEU CA C 13 53.489 0.04 . . . . . . . . . . 6010 1 44 . 1 1 5 5 LEU HA H 1 5.120 0.02 . . . . . . . . . . 6010 1 45 . 1 1 5 5 LEU CB C 13 43.254 0.04 . . . . . . . . . . 6010 1 46 . 1 1 5 5 LEU HB2 H 1 1.845 0.02 . . . . . . . . . . 6010 1 47 . 1 1 5 5 LEU HB3 H 1 1.349 0.02 . . . . . . . . . . 6010 1 48 . 1 1 5 5 LEU CG C 13 27.135 0.04 . . . . . . . . . . 6010 1 49 . 1 1 5 5 LEU HG H 1 1.697 0.02 . . . . . . . . . . 6010 1 50 . 1 1 5 5 LEU HD11 H 1 0.937 0.02 . . . . . . . . . . 6010 1 51 . 1 1 5 5 LEU HD12 H 1 0.937 0.02 . . . . . . . . . . 6010 1 52 . 1 1 5 5 LEU HD13 H 1 0.937 0.02 . . . . . . . . . . 6010 1 53 . 1 1 5 5 LEU HD21 H 1 0.938 0.02 . . . . . . . . . . 6010 1 54 . 1 1 5 5 LEU HD22 H 1 0.938 0.02 . . . . . . . . . . 6010 1 55 . 1 1 5 5 LEU HD23 H 1 0.938 0.02 . . . . . . . . . . 6010 1 56 . 1 1 5 5 LEU CD1 C 13 25.343 0.04 . . . . . . . . . . 6010 1 57 . 1 1 5 5 LEU CD2 C 13 25.343 0.04 . . . . . . . . . . 6010 1 58 . 1 1 5 5 LEU C C 13 176.398 0.04 . . . . . . . . . . 6010 1 59 . 1 1 6 6 VAL N N 15 126.364 0.03 . . . . . . . . . . 6010 1 60 . 1 1 6 6 VAL H H 1 8.577 0.02 . . . . . . . . . . 6010 1 61 . 1 1 6 6 VAL CA C 13 61.677 0.04 . . . . . . . . . . 6010 1 62 . 1 1 6 6 VAL HA H 1 4.406 0.02 . . . . . . . . . . 6010 1 63 . 1 1 6 6 VAL CB C 13 33.787 0.04 . . . . . . . . . . 6010 1 64 . 1 1 6 6 VAL HB H 1 2.070 0.02 . . . . . . . . . . 6010 1 65 . 1 1 6 6 VAL HG11 H 1 1.159 0.02 . . . . . . . . . . 6010 1 66 . 1 1 6 6 VAL HG12 H 1 1.159 0.02 . . . . . . . . . . 6010 1 67 . 1 1 6 6 VAL HG13 H 1 1.159 0.02 . . . . . . . . . . 6010 1 68 . 1 1 6 6 VAL HG21 H 1 0.713 0.02 . . . . . . . . . . 6010 1 69 . 1 1 6 6 VAL HG22 H 1 0.713 0.02 . . . . . . . . . . 6010 1 70 . 1 1 6 6 VAL HG23 H 1 0.713 0.02 . . . . . . . . . . 6010 1 71 . 1 1 6 6 VAL CG1 C 13 21.250 0.04 . . . . . . . . . . 6010 1 72 . 1 1 6 6 VAL CG2 C 13 20.482 0.04 . . . . . . . . . . 6010 1 73 . 1 1 6 6 VAL C C 13 174.699 0.04 . . . . . . . . . . 6010 1 74 . 1 1 7 7 LYS N N 15 125.298 0.03 . . . . . . . . . . 6010 1 75 . 1 1 7 7 LYS H H 1 8.905 0.02 . . . . . . . . . . 6010 1 76 . 1 1 7 7 LYS CA C 13 55.024 0.04 . . . . . . . . . . 6010 1 77 . 1 1 7 7 LYS HA H 1 5.292 0.02 . . . . . . . . . . 6010 1 78 . 1 1 7 7 LYS CB C 13 34.811 0.04 . . . . . . . . . . 6010 1 79 . 1 1 7 7 LYS HB2 H 1 1.492 0.02 . . . . . . . . . . 6010 1 80 . 1 1 7 7 LYS HB3 H 1 1.266 0.02 . . . . . . . . . . 6010 1 81 . 1 1 7 7 LYS CG C 13 23.552 0.04 . . . . . . . . . . 6010 1 82 . 1 1 7 7 LYS HG2 H 1 1.064 0.02 . . . . . . . . . . 6010 1 83 . 1 1 7 7 LYS HG3 H 1 0.597 0.02 . . . . . . . . . . 6010 1 84 . 1 1 7 7 LYS CD C 13 29.693 0.04 . . . . . . . . . . 6010 1 85 . 1 1 7 7 LYS HD2 H 1 1.498 0.02 . . . . . . . . . . 6010 1 86 . 1 1 7 7 LYS CE C 13 41.719 0.04 . . . . . . . . . . 6010 1 87 . 1 1 7 7 LYS HE2 H 1 2.815 0.02 . . . . . . . . . . 6010 1 88 . 1 1 7 7 LYS C C 13 174.646 0.04 . . . . . . . . . . 6010 1 89 . 1 1 8 8 TYR N N 15 119.120 0.03 . . . . . . . . . . 6010 1 90 . 1 1 8 8 TYR H H 1 7.802 0.02 . . . . . . . . . . 6010 1 91 . 1 1 8 8 TYR CA C 13 56.048 0.04 . . . . . . . . . . 6010 1 92 . 1 1 8 8 TYR HA H 1 4.959 0.02 . . . . . . . . . . 6010 1 93 . 1 1 8 8 TYR CB C 13 40.951 0.04 . . . . . . . . . . 6010 1 94 . 1 1 8 8 TYR HB2 H 1 2.859 0.02 . . . . . . . . . . 6010 1 95 . 1 1 8 8 TYR HB3 H 1 2.809 0.02 . . . . . . . . . . 6010 1 96 . 1 1 8 8 TYR HD1 H 1 7.158 0.02 . . . . . . . . . . 6010 1 97 . 1 1 8 8 TYR HE1 H 1 6.914 0.02 . . . . . . . . . . 6010 1 98 . 1 1 8 8 TYR C C 13 175.382 0.04 . . . . . . . . . . 6010 1 99 . 1 1 9 9 GLY N N 15 106.703 0.03 . . . . . . . . . . 6010 1 100 . 1 1 9 9 GLY H H 1 8.889 0.02 . . . . . . . . . . 6010 1 101 . 1 1 9 9 GLY CA C 13 44.789 0.04 . . . . . . . . . . 6010 1 102 . 1 1 9 9 GLY HA2 H 1 4.375 0.02 . . . . . . . . . . 6010 1 103 . 1 1 9 9 GLY HA3 H 1 3.993 0.02 . . . . . . . . . . 6010 1 104 . 1 1 9 9 GLY C C 13 175.355 0.04 . . . . . . . . . . 6010 1 105 . 1 1 10 10 THR N N 15 107.268 0.03 . . . . . . . . . . 6010 1 106 . 1 1 10 10 THR H H 1 7.349 0.02 . . . . . . . . . . 6010 1 107 . 1 1 10 10 THR CA C 13 62.444 0.04 . . . . . . . . . . 6010 1 108 . 1 1 10 10 THR HA H 1 3.448 0.02 . . . . . . . . . . 6010 1 109 . 1 1 10 10 THR CB C 13 67.562 0.04 . . . . . . . . . . 6010 1 110 . 1 1 10 10 THR HB H 1 3.844 0.02 . . . . . . . . . . 6010 1 111 . 1 1 10 10 THR HG21 H 1 -0.007 0.02 . . . . . . . . . . 6010 1 112 . 1 1 10 10 THR HG22 H 1 -0.007 0.02 . . . . . . . . . . 6010 1 113 . 1 1 10 10 THR HG23 H 1 -0.007 0.02 . . . . . . . . . . 6010 1 114 . 1 1 10 10 THR CG2 C 13 20.226 0.04 . . . . . . . . . . 6010 1 115 . 1 1 10 10 THR C C 13 174.646 0.04 . . . . . . . . . . 6010 1 116 . 1 1 11 11 ASP N N 15 118.598 0.03 . . . . . . . . . . 6010 1 117 . 1 1 11 11 ASP H H 1 8.603 0.02 . . . . . . . . . . 6010 1 118 . 1 1 11 11 ASP CA C 13 53.233 0.04 . . . . . . . . . . 6010 1 119 . 1 1 11 11 ASP HA H 1 4.609 0.02 . . . . . . . . . . 6010 1 120 . 1 1 11 11 ASP CB C 13 39.160 0.04 . . . . . . . . . . 6010 1 121 . 1 1 11 11 ASP HB2 H 1 2.974 0.02 . . . . . . . . . . 6010 1 122 . 1 1 11 11 ASP HB3 H 1 2.711 0.02 . . . . . . . . . . 6010 1 123 . 1 1 11 11 ASP C C 13 175.622 0.04 . . . . . . . . . . 6010 1 124 . 1 1 12 12 HIS N N 15 120.825 0.03 . . . . . . . . . . 6010 1 125 . 1 1 12 12 HIS H H 1 8.361 0.02 . . . . . . . . . . 6010 1 126 . 1 1 12 12 HIS CA C 13 54.512 0.04 . . . . . . . . . . 6010 1 127 . 1 1 12 12 HIS HA H 1 5.261 0.02 . . . . . . . . . . 6010 1 128 . 1 1 12 12 HIS CB C 13 30.333 0.04 . . . . . . . . . . 6010 1 129 . 1 1 12 12 HIS HB2 H 1 1.750 0.02 . . . . . . . . . . 6010 1 130 . 1 1 12 12 HIS HD2 H 1 7.209 0.02 . . . . . . . . . . 6010 1 131 . 1 1 12 12 HIS HE1 H 1 8.225 0.02 . . . . . . . . . . 6010 1 132 . 1 1 13 13 PRO CD C 13 50.930 0.04 . . . . . . . . . . 6010 1 133 . 1 1 13 13 PRO CA C 13 65.259 0.04 . . . . . . . . . . 6010 1 134 . 1 1 13 13 PRO HA H 1 4.566 0.02 . . . . . . . . . . 6010 1 135 . 1 1 13 13 PRO CB C 13 31.996 0.04 . . . . . . . . . . 6010 1 136 . 1 1 13 13 PRO HB2 H 1 2.615 0.02 . . . . . . . . . . 6010 1 137 . 1 1 13 13 PRO HB3 H 1 2.167 0.02 . . . . . . . . . . 6010 1 138 . 1 1 13 13 PRO CG C 13 27.135 0.04 . . . . . . . . . . 6010 1 139 . 1 1 13 13 PRO HG2 H 1 2.158 0.02 . . . . . . . . . . 6010 1 140 . 1 1 13 13 PRO HD2 H 1 3.776 0.02 . . . . . . . . . . 6010 1 141 . 1 1 13 13 PRO C C 13 178.887 0.04 . . . . . . . . . . 6010 1 142 . 1 1 14 14 VAL N N 15 118.727 0.03 . . . . . . . . . . 6010 1 143 . 1 1 14 14 VAL H H 1 8.472 0.02 . . . . . . . . . . 6010 1 144 . 1 1 14 14 VAL CA C 13 65.003 0.04 . . . . . . . . . . 6010 1 145 . 1 1 14 14 VAL HA H 1 4.042 0.02 . . . . . . . . . . 6010 1 146 . 1 1 14 14 VAL CB C 13 30.973 0.04 . . . . . . . . . . 6010 1 147 . 1 1 14 14 VAL HB H 1 2.377 0.02 . . . . . . . . . . 6010 1 148 . 1 1 14 14 VAL HG11 H 1 1.131 0.02 . . . . . . . . . . 6010 1 149 . 1 1 14 14 VAL HG12 H 1 1.131 0.02 . . . . . . . . . . 6010 1 150 . 1 1 14 14 VAL HG13 H 1 1.131 0.02 . . . . . . . . . . 6010 1 151 . 1 1 14 14 VAL HG21 H 1 1.196 0.02 . . . . . . . . . . 6010 1 152 . 1 1 14 14 VAL HG22 H 1 1.196 0.02 . . . . . . . . . . 6010 1 153 . 1 1 14 14 VAL HG23 H 1 1.196 0.02 . . . . . . . . . . 6010 1 154 . 1 1 14 14 VAL CG1 C 13 20.994 0.04 . . . . . . . . . . 6010 1 155 . 1 1 14 14 VAL CG2 C 13 22.017 0.04 . . . . . . . . . . 6010 1 156 . 1 1 14 14 VAL C C 13 177.990 0.04 . . . . . . . . . . 6010 1 157 . 1 1 15 15 GLU N N 15 119.953 0.03 . . . . . . . . . . 6010 1 158 . 1 1 15 15 GLU H H 1 8.372 0.02 . . . . . . . . . . 6010 1 159 . 1 1 15 15 GLU CA C 13 57.839 0.04 . . . . . . . . . . 6010 1 160 . 1 1 15 15 GLU HA H 1 4.719 0.02 . . . . . . . . . . 6010 1 161 . 1 1 15 15 GLU CB C 13 28.670 0.04 . . . . . . . . . . 6010 1 162 . 1 1 15 15 GLU HB2 H 1 2.208 0.02 . . . . . . . . . . 6010 1 163 . 1 1 15 15 GLU HB3 H 1 2.123 0.02 . . . . . . . . . . 6010 1 164 . 1 1 15 15 GLU CG C 13 35.578 0.04 . . . . . . . . . . 6010 1 165 . 1 1 15 15 GLU HG2 H 1 2.943 0.02 . . . . . . . . . . 6010 1 166 . 1 1 15 15 GLU HG3 H 1 2.813 0.02 . . . . . . . . . . 6010 1 167 . 1 1 15 15 GLU C C 13 178.673 0.04 . . . . . . . . . . 6010 1 168 . 1 1 16 16 LYS N N 15 116.943 0.03 . . . . . . . . . . 6010 1 169 . 1 1 16 16 LYS H H 1 7.211 0.02 . . . . . . . . . . 6010 1 170 . 1 1 16 16 LYS CA C 13 59.374 0.04 . . . . . . . . . . 6010 1 171 . 1 1 16 16 LYS HA H 1 3.414 0.02 . . . . . . . . . . 6010 1 172 . 1 1 16 16 LYS CB C 13 32.252 0.04 . . . . . . . . . . 6010 1 173 . 1 1 16 16 LYS HB2 H 1 1.949 0.02 . . . . . . . . . . 6010 1 174 . 1 1 16 16 LYS CG C 13 25.343 0.04 . . . . . . . . . . 6010 1 175 . 1 1 16 16 LYS HG2 H 1 1.492 0.02 . . . . . . . . . . 6010 1 176 . 1 1 16 16 LYS HG3 H 1 1.426 0.02 . . . . . . . . . . 6010 1 177 . 1 1 16 16 LYS CD C 13 29.437 0.04 . . . . . . . . . . 6010 1 178 . 1 1 16 16 LYS HD2 H 1 1.942 0.02 . . . . . . . . . . 6010 1 179 . 1 1 16 16 LYS CE C 13 42.231 0.04 . . . . . . . . . . 6010 1 180 . 1 1 16 16 LYS HE2 H 1 3.176 0.02 . . . . . . . . . . 6010 1 181 . 1 1 16 16 LYS C C 13 178.418 0.04 . . . . . . . . . . 6010 1 182 . 1 1 17 17 LEU N N 15 118.510 0.03 . . . . . . . . . . 6010 1 183 . 1 1 17 17 LEU H H 1 7.265 0.02 . . . . . . . . . . 6010 1 184 . 1 1 17 17 LEU CA C 13 57.327 0.04 . . . . . . . . . . 6010 1 185 . 1 1 17 17 LEU HA H 1 4.118 0.02 . . . . . . . . . . 6010 1 186 . 1 1 17 17 LEU CB C 13 40.951 0.04 . . . . . . . . . . 6010 1 187 . 1 1 17 17 LEU HB2 H 1 1.938 0.02 . . . . . . . . . . 6010 1 188 . 1 1 17 17 LEU HB3 H 1 1.851 0.02 . . . . . . . . . . 6010 1 189 . 1 1 17 17 LEU CG C 13 26.879 0.04 . . . . . . . . . . 6010 1 190 . 1 1 17 17 LEU HG H 1 1.783 0.02 . . . . . . . . . . 6010 1 191 . 1 1 17 17 LEU HD11 H 1 0.975 0.02 . . . . . . . . . . 6010 1 192 . 1 1 17 17 LEU HD12 H 1 0.975 0.02 . . . . . . . . . . 6010 1 193 . 1 1 17 17 LEU HD13 H 1 0.975 0.02 . . . . . . . . . . 6010 1 194 . 1 1 17 17 LEU HD21 H 1 1.033 0.02 . . . . . . . . . . 6010 1 195 . 1 1 17 17 LEU HD22 H 1 1.033 0.02 . . . . . . . . . . 6010 1 196 . 1 1 17 17 LEU HD23 H 1 1.033 0.02 . . . . . . . . . . 6010 1 197 . 1 1 17 17 LEU CD1 C 13 23.808 0.04 . . . . . . . . . . 6010 1 198 . 1 1 17 17 LEU CD2 C 13 24.320 0.04 . . . . . . . . . . 6010 1 199 . 1 1 17 17 LEU C C 13 179.836 0.04 . . . . . . . . . . 6010 1 200 . 1 1 18 18 LYS N N 15 121.959 0.03 . . . . . . . . . . 6010 1 201 . 1 1 18 18 LYS H H 1 7.837 0.02 . . . . . . . . . . 6010 1 202 . 1 1 18 18 LYS CA C 13 59.374 0.04 . . . . . . . . . . 6010 1 203 . 1 1 18 18 LYS HA H 1 3.879 0.02 . . . . . . . . . . 6010 1 204 . 1 1 18 18 LYS CB C 13 28.414 0.04 . . . . . . . . . . 6010 1 205 . 1 1 18 18 LYS HB2 H 1 1.799 0.02 . . . . . . . . . . 6010 1 206 . 1 1 18 18 LYS HB3 H 1 1.562 0.02 . . . . . . . . . . 6010 1 207 . 1 1 18 18 LYS CD C 13 29.949 0.04 . . . . . . . . . . 6010 1 208 . 1 1 18 18 LYS HD2 H 1 1.787 0.02 . . . . . . . . . . 6010 1 209 . 1 1 18 18 LYS CE C 13 41.207 0.04 . . . . . . . . . . 6010 1 210 . 1 1 18 18 LYS HE2 H 1 2.874 0.02 . . . . . . . . . . 6010 1 211 . 1 1 18 18 LYS C C 13 178.780 0.04 . . . . . . . . . . 6010 1 212 . 1 1 19 19 ILE N N 15 118.152 0.03 . . . . . . . . . . 6010 1 213 . 1 1 19 19 ILE H H 1 7.752 0.02 . . . . . . . . . . 6010 1 214 . 1 1 19 19 ILE CA C 13 64.747 0.04 . . . . . . . . . . 6010 1 215 . 1 1 19 19 ILE HA H 1 3.486 0.02 . . . . . . . . . . 6010 1 216 . 1 1 19 19 ILE CB C 13 38.137 0.04 . . . . . . . . . . 6010 1 217 . 1 1 19 19 ILE HB H 1 1.646 0.02 . . . . . . . . . . 6010 1 218 . 1 1 19 19 ILE HG21 H 1 0.761 0.02 . . . . . . . . . . 6010 1 219 . 1 1 19 19 ILE HG22 H 1 0.761 0.02 . . . . . . . . . . 6010 1 220 . 1 1 19 19 ILE HG23 H 1 0.761 0.02 . . . . . . . . . . 6010 1 221 . 1 1 19 19 ILE CG2 C 13 16.900 0.04 . . . . . . . . . . 6010 1 222 . 1 1 19 19 ILE CG1 C 13 29.437 0.04 . . . . . . . . . . 6010 1 223 . 1 1 19 19 ILE HG12 H 1 1.594 0.02 . . . . . . . . . . 6010 1 224 . 1 1 19 19 ILE HG13 H 1 0.606 0.02 . . . . . . . . . . 6010 1 225 . 1 1 19 19 ILE HD11 H 1 0.000 0.02 . . . . . . . . . . 6010 1 226 . 1 1 19 19 ILE HD12 H 1 0.000 0.02 . . . . . . . . . . 6010 1 227 . 1 1 19 19 ILE HD13 H 1 0.000 0.02 . . . . . . . . . . 6010 1 228 . 1 1 19 19 ILE CD1 C 13 12.038 0.04 . . . . . . . . . . 6010 1 229 . 1 1 19 19 ILE C C 13 178.244 0.04 . . . . . . . . . . 6010 1 230 . 1 1 20 20 ARG N N 15 118.535 0.03 . . . . . . . . . . 6010 1 231 . 1 1 20 20 ARG H H 1 8.193 0.02 . . . . . . . . . . 6010 1 232 . 1 1 20 20 ARG CA C 13 58.606 0.04 . . . . . . . . . . 6010 1 233 . 1 1 20 20 ARG HA H 1 4.337 0.02 . . . . . . . . . . 6010 1 234 . 1 1 20 20 ARG CB C 13 30.461 0.04 . . . . . . . . . . 6010 1 235 . 1 1 20 20 ARG HB2 H 1 2.044 0.02 . . . . . . . . . . 6010 1 236 . 1 1 20 20 ARG CG C 13 27.390 0.04 . . . . . . . . . . 6010 1 237 . 1 1 20 20 ARG HG2 H 1 1.908 0.02 . . . . . . . . . . 6010 1 238 . 1 1 20 20 ARG CD C 13 43.510 0.04 . . . . . . . . . . 6010 1 239 . 1 1 20 20 ARG HD2 H 1 3.341 0.02 . . . . . . . . . . 6010 1 240 . 1 1 20 20 ARG HD3 H 1 3.274 0.02 . . . . . . . . . . 6010 1 241 . 1 1 20 20 ARG C C 13 177.214 0.04 . . . . . . . . . . 6010 1 242 . 1 1 21 21 SER N N 15 111.057 0.03 . . . . . . . . . . 6010 1 243 . 1 1 21 21 SER H H 1 7.670 0.02 . . . . . . . . . . 6010 1 244 . 1 1 21 21 SER CA C 13 58.606 0.04 . . . . . . . . . . 6010 1 245 . 1 1 21 21 SER HA H 1 4.559 0.02 . . . . . . . . . . 6010 1 246 . 1 1 21 21 SER CB C 13 63.980 0.04 . . . . . . . . . . 6010 1 247 . 1 1 21 21 SER HB2 H 1 4.049 0.02 . . . . . . . . . . 6010 1 248 . 1 1 21 21 SER C C 13 173.442 0.04 . . . . . . . . . . 6010 1 249 . 1 1 22 22 ALA N N 15 125.450 0.03 . . . . . . . . . . 6010 1 250 . 1 1 22 22 ALA H H 1 7.042 0.02 . . . . . . . . . . 6010 1 251 . 1 1 22 22 ALA CA C 13 52.465 0.04 . . . . . . . . . . 6010 1 252 . 1 1 22 22 ALA HA H 1 4.343 0.02 . . . . . . . . . . 6010 1 253 . 1 1 22 22 ALA HB1 H 1 1.523 0.02 . . . . . . . . . . 6010 1 254 . 1 1 22 22 ALA HB2 H 1 1.523 0.02 . . . . . . . . . . 6010 1 255 . 1 1 22 22 ALA HB3 H 1 1.523 0.02 . . . . . . . . . . 6010 1 256 . 1 1 22 22 ALA CB C 13 19.458 0.04 . . . . . . . . . . 6010 1 257 . 1 1 22 22 ALA C C 13 175.582 0.04 . . . . . . . . . . 6010 1 258 . 1 1 23 23 LYS N N 15 119.425 0.03 . . . . . . . . . . 6010 1 259 . 1 1 23 23 LYS H H 1 9.032 0.02 . . . . . . . . . . 6010 1 260 . 1 1 23 23 LYS CA C 13 54.512 0.04 . . . . . . . . . . 6010 1 261 . 1 1 23 23 LYS HA H 1 4.538 0.02 . . . . . . . . . . 6010 1 262 . 1 1 23 23 LYS CB C 13 34.043 0.04 . . . . . . . . . . 6010 1 263 . 1 1 23 23 LYS HB2 H 1 2.172 0.02 . . . . . . . . . . 6010 1 264 . 1 1 23 23 LYS HB3 H 1 1.694 0.02 . . . . . . . . . . 6010 1 265 . 1 1 23 23 LYS CG C 13 24.832 0.04 . . . . . . . . . . 6010 1 266 . 1 1 23 23 LYS HG2 H 1 1.619 0.02 . . . . . . . . . . 6010 1 267 . 1 1 23 23 LYS CD C 13 28.670 0.04 . . . . . . . . . . 6010 1 268 . 1 1 23 23 LYS HD2 H 1 1.802 0.02 . . . . . . . . . . 6010 1 269 . 1 1 23 23 LYS CE C 13 42.231 0.04 . . . . . . . . . . 6010 1 270 . 1 1 23 23 LYS HE2 H 1 3.171 0.02 . . . . . . . . . . 6010 1 271 . 1 1 23 23 LYS C C 13 177.709 0.04 . . . . . . . . . . 6010 1 272 . 1 1 24 24 ALA N N 15 121.412 0.03 . . . . . . . . . . 6010 1 273 . 1 1 24 24 ALA H H 1 8.653 0.02 . . . . . . . . . . 6010 1 274 . 1 1 24 24 ALA CA C 13 54.768 0.04 . . . . . . . . . . 6010 1 275 . 1 1 24 24 ALA HA H 1 3.898 0.02 . . . . . . . . . . 6010 1 276 . 1 1 24 24 ALA HB1 H 1 1.495 0.02 . . . . . . . . . . 6010 1 277 . 1 1 24 24 ALA HB2 H 1 1.495 0.02 . . . . . . . . . . 6010 1 278 . 1 1 24 24 ALA HB3 H 1 1.495 0.02 . . . . . . . . . . 6010 1 279 . 1 1 24 24 ALA CB C 13 18.179 0.04 . . . . . . . . . . 6010 1 280 . 1 1 24 24 ALA C C 13 178.459 0.04 . . . . . . . . . . 6010 1 281 . 1 1 25 25 GLU N N 15 112.026 0.03 . . . . . . . . . . 6010 1 282 . 1 1 25 25 GLU H H 1 8.285 0.02 . . . . . . . . . . 6010 1 283 . 1 1 25 25 GLU CA C 13 56.815 0.04 . . . . . . . . . . 6010 1 284 . 1 1 25 25 GLU HA H 1 4.410 0.02 . . . . . . . . . . 6010 1 285 . 1 1 25 25 GLU CB C 13 28.926 0.04 . . . . . . . . . . 6010 1 286 . 1 1 25 25 GLU HB2 H 1 2.196 0.02 . . . . . . . . . . 6010 1 287 . 1 1 25 25 GLU HB3 H 1 2.162 0.02 . . . . . . . . . . 6010 1 288 . 1 1 25 25 GLU CG C 13 36.090 0.04 . . . . . . . . . . 6010 1 289 . 1 1 25 25 GLU HG2 H 1 2.355 0.02 . . . . . . . . . . 6010 1 290 . 1 1 25 25 GLU C C 13 176.438 0.04 . . . . . . . . . . 6010 1 291 . 1 1 26 26 ASP N N 15 121.929 0.03 . . . . . . . . . . 6010 1 292 . 1 1 26 26 ASP H H 1 8.025 0.02 . . . . . . . . . . 6010 1 293 . 1 1 26 26 ASP CA C 13 54.768 0.04 . . . . . . . . . . 6010 1 294 . 1 1 26 26 ASP HA H 1 5.132 0.02 . . . . . . . . . . 6010 1 295 . 1 1 26 26 ASP CB C 13 41.975 0.04 . . . . . . . . . . 6010 1 296 . 1 1 26 26 ASP HB2 H 1 3.132 0.02 . . . . . . . . . . 6010 1 297 . 1 1 26 26 ASP HB3 H 1 2.622 0.02 . . . . . . . . . . 6010 1 298 . 1 1 26 26 ASP C C 13 175.395 0.04 . . . . . . . . . . 6010 1 299 . 1 1 27 27 LYS N N 15 118.630 0.03 . . . . . . . . . . 6010 1 300 . 1 1 27 27 LYS H H 1 8.452 0.02 . . . . . . . . . . 6010 1 301 . 1 1 27 27 LYS CA C 13 54.768 0.04 . . . . . . . . . . 6010 1 302 . 1 1 27 27 LYS HA H 1 5.297 0.02 . . . . . . . . . . 6010 1 303 . 1 1 27 27 LYS CB C 13 35.066 0.04 . . . . . . . . . . 6010 1 304 . 1 1 27 27 LYS HB2 H 1 1.494 0.02 . . . . . . . . . . 6010 1 305 . 1 1 27 27 LYS HB3 H 1 1.266 0.02 . . . . . . . . . . 6010 1 306 . 1 1 27 27 LYS CG C 13 23.808 0.04 . . . . . . . . . . 6010 1 307 . 1 1 27 27 LYS HG2 H 1 1.067 0.02 . . . . . . . . . . 6010 1 308 . 1 1 27 27 LYS HG3 H 1 0.598 0.02 . . . . . . . . . . 6010 1 309 . 1 1 27 27 LYS CD C 13 29.693 0.04 . . . . . . . . . . 6010 1 310 . 1 1 27 27 LYS HD2 H 1 1.498 0.02 . . . . . . . . . . 6010 1 311 . 1 1 27 27 LYS CE C 13 41.719 0.04 . . . . . . . . . . 6010 1 312 . 1 1 27 27 LYS HE2 H 1 2.818 0.02 . . . . . . . . . . 6010 1 313 . 1 1 27 27 LYS C C 13 174.258 0.04 . . . . . . . . . . 6010 1 314 . 1 1 28 28 ILE N N 15 124.385 0.03 . . . . . . . . . . 6010 1 315 . 1 1 28 28 ILE H H 1 9.416 0.02 . . . . . . . . . . 6010 1 316 . 1 1 28 28 ILE CA C 13 59.118 0.04 . . . . . . . . . . 6010 1 317 . 1 1 28 28 ILE HA H 1 5.122 0.02 . . . . . . . . . . 6010 1 318 . 1 1 28 28 ILE CB C 13 38.649 0.04 . . . . . . . . . . 6010 1 319 . 1 1 28 28 ILE HB H 1 1.918 0.02 . . . . . . . . . . 6010 1 320 . 1 1 28 28 ILE HG21 H 1 0.768 0.02 . . . . . . . . . . 6010 1 321 . 1 1 28 28 ILE HG22 H 1 0.768 0.02 . . . . . . . . . . 6010 1 322 . 1 1 28 28 ILE HG23 H 1 0.768 0.02 . . . . . . . . . . 6010 1 323 . 1 1 28 28 ILE CG2 C 13 17.667 0.04 . . . . . . . . . . 6010 1 324 . 1 1 28 28 ILE CG1 C 13 26.623 0.04 . . . . . . . . . . 6010 1 325 . 1 1 28 28 ILE HG12 H 1 1.474 0.02 . . . . . . . . . . 6010 1 326 . 1 1 28 28 ILE HD11 H 1 0.812 0.02 . . . . . . . . . . 6010 1 327 . 1 1 28 28 ILE HD12 H 1 0.812 0.02 . . . . . . . . . . 6010 1 328 . 1 1 28 28 ILE HD13 H 1 0.812 0.02 . . . . . . . . . . 6010 1 329 . 1 1 28 28 ILE CD1 C 13 15.109 0.04 . . . . . . . . . . 6010 1 330 . 1 1 28 28 ILE C C 13 175.008 0.04 . . . . . . . . . . 6010 1 331 . 1 1 29 29 VAL N N 15 126.021 0.03 . . . . . . . . . . 6010 1 332 . 1 1 29 29 VAL H H 1 9.067 0.02 . . . . . . . . . . 6010 1 333 . 1 1 29 29 VAL CA C 13 60.653 0.04 . . . . . . . . . . 6010 1 334 . 1 1 29 29 VAL HA H 1 4.859 0.02 . . . . . . . . . . 6010 1 335 . 1 1 29 29 VAL CB C 13 33.275 0.04 . . . . . . . . . . 6010 1 336 . 1 1 29 29 VAL HB H 1 1.924 0.02 . . . . . . . . . . 6010 1 337 . 1 1 29 29 VAL HG11 H 1 0.914 0.02 . . . . . . . . . . 6010 1 338 . 1 1 29 29 VAL HG12 H 1 0.914 0.02 . . . . . . . . . . 6010 1 339 . 1 1 29 29 VAL HG13 H 1 0.914 0.02 . . . . . . . . . . 6010 1 340 . 1 1 29 29 VAL HG21 H 1 0.632 0.02 . . . . . . . . . . 6010 1 341 . 1 1 29 29 VAL HG22 H 1 0.632 0.02 . . . . . . . . . . 6010 1 342 . 1 1 29 29 VAL HG23 H 1 0.632 0.02 . . . . . . . . . . 6010 1 343 . 1 1 29 29 VAL CG1 C 13 21.505 0.04 . . . . . . . . . . 6010 1 344 . 1 1 29 29 VAL CG2 C 13 20.994 0.04 . . . . . . . . . . 6010 1 345 . 1 1 29 29 VAL C C 13 173.683 0.04 . . . . . . . . . . 6010 1 346 . 1 1 30 30 LEU N N 15 127.276 0.03 . . . . . . . . . . 6010 1 347 . 1 1 30 30 LEU H H 1 9.155 0.02 . . . . . . . . . . 6010 1 348 . 1 1 30 30 LEU CA C 13 53.233 0.04 . . . . . . . . . . 6010 1 349 . 1 1 30 30 LEU HA H 1 4.865 0.02 . . . . . . . . . . 6010 1 350 . 1 1 30 30 LEU CB C 13 40.184 0.04 . . . . . . . . . . 6010 1 351 . 1 1 30 30 LEU HB2 H 1 1.863 0.02 . . . . . . . . . . 6010 1 352 . 1 1 30 30 LEU HB3 H 1 1.176 0.02 . . . . . . . . . . 6010 1 353 . 1 1 30 30 LEU CG C 13 25.855 0.04 . . . . . . . . . . 6010 1 354 . 1 1 30 30 LEU HG H 1 1.882 0.02 . . . . . . . . . . 6010 1 355 . 1 1 30 30 LEU HD11 H 1 0.867 0.02 . . . . . . . . . . 6010 1 356 . 1 1 30 30 LEU HD12 H 1 0.867 0.02 . . . . . . . . . . 6010 1 357 . 1 1 30 30 LEU HD13 H 1 0.867 0.02 . . . . . . . . . . 6010 1 358 . 1 1 30 30 LEU HD21 H 1 0.798 0.02 . . . . . . . . . . 6010 1 359 . 1 1 30 30 LEU HD22 H 1 0.798 0.02 . . . . . . . . . . 6010 1 360 . 1 1 30 30 LEU HD23 H 1 0.798 0.02 . . . . . . . . . . 6010 1 361 . 1 1 30 30 LEU CD1 C 13 26.367 0.04 . . . . . . . . . . 6010 1 362 . 1 1 30 30 LEU CD2 C 13 21.761 0.04 . . . . . . . . . . 6010 1 363 . 1 1 30 30 LEU C C 13 174.713 0.04 . . . . . . . . . . 6010 1 364 . 1 1 31 31 ILE N N 15 119.895 0.03 . . . . . . . . . . 6010 1 365 . 1 1 31 31 ILE H H 1 8.684 0.02 . . . . . . . . . . 6010 1 366 . 1 1 31 31 ILE CA C 13 59.118 0.04 . . . . . . . . . . 6010 1 367 . 1 1 31 31 ILE HA H 1 4.528 0.02 . . . . . . . . . . 6010 1 368 . 1 1 31 31 ILE CB C 13 42.487 0.04 . . . . . . . . . . 6010 1 369 . 1 1 31 31 ILE HB H 1 1.618 0.02 . . . . . . . . . . 6010 1 370 . 1 1 31 31 ILE HG21 H 1 0.764 0.02 . . . . . . . . . . 6010 1 371 . 1 1 31 31 ILE HG22 H 1 0.764 0.02 . . . . . . . . . . 6010 1 372 . 1 1 31 31 ILE HG23 H 1 0.764 0.02 . . . . . . . . . . 6010 1 373 . 1 1 31 31 ILE CG2 C 13 17.156 0.04 . . . . . . . . . . 6010 1 374 . 1 1 31 31 ILE CG1 C 13 27.390 0.04 . . . . . . . . . . 6010 1 375 . 1 1 31 31 ILE HG12 H 1 1.446 0.02 . . . . . . . . . . 6010 1 376 . 1 1 31 31 ILE HG13 H 1 0.959 0.02 . . . . . . . . . . 6010 1 377 . 1 1 31 31 ILE HD11 H 1 0.755 0.02 . . . . . . . . . . 6010 1 378 . 1 1 31 31 ILE HD12 H 1 0.755 0.02 . . . . . . . . . . 6010 1 379 . 1 1 31 31 ILE HD13 H 1 0.755 0.02 . . . . . . . . . . 6010 1 380 . 1 1 31 31 ILE CD1 C 13 15.109 0.04 . . . . . . . . . . 6010 1 381 . 1 1 31 31 ILE C C 13 173.589 0.04 . . . . . . . . . . 6010 1 382 . 1 1 32 32 GLN N N 15 122.262 0.03 . . . . . . . . . . 6010 1 383 . 1 1 32 32 GLN H H 1 9.892 0.02 . . . . . . . . . . 6010 1 384 . 1 1 32 32 GLN CA C 13 57.327 0.04 . . . . . . . . . . 6010 1 385 . 1 1 32 32 GLN HA H 1 3.444 0.02 . . . . . . . . . . 6010 1 386 . 1 1 32 32 GLN CB C 13 25.599 0.04 . . . . . . . . . . 6010 1 387 . 1 1 32 32 GLN HB2 H 1 2.417 0.02 . . . . . . . . . . 6010 1 388 . 1 1 32 32 GLN HB3 H 1 2.234 0.02 . . . . . . . . . . 6010 1 389 . 1 1 32 32 GLN CG C 13 34.043 0.04 . . . . . . . . . . 6010 1 390 . 1 1 32 32 GLN HG2 H 1 2.570 0.02 . . . . . . . . . . 6010 1 391 . 1 1 32 32 GLN HG3 H 1 2.409 0.02 . . . . . . . . . . 6010 1 392 . 1 1 32 32 GLN NE2 N 15 111.241 0.03 . . . . . . . . . . 6010 1 393 . 1 1 32 32 GLN HE21 H 1 7.632 0.02 . . . . . . . . . . 6010 1 394 . 1 1 32 32 GLN HE22 H 1 7.103 0.02 . . . . . . . . . . 6010 1 395 . 1 1 32 32 GLN C C 13 176.465 0.04 . . . . . . . . . . 6010 1 396 . 1 1 33 33 ASN N N 15 119.076 0.03 . . . . . . . . . . 6010 1 397 . 1 1 33 33 ASN H H 1 7.574 0.02 . . . . . . . . . . 6010 1 398 . 1 1 33 33 ASN CA C 13 55.024 0.04 . . . . . . . . . . 6010 1 399 . 1 1 33 33 ASN HA H 1 4.538 0.02 . . . . . . . . . . 6010 1 400 . 1 1 33 33 ASN CB C 13 37.625 0.04 . . . . . . . . . . 6010 1 401 . 1 1 33 33 ASN HB2 H 1 3.374 0.02 . . . . . . . . . . 6010 1 402 . 1 1 33 33 ASN HB3 H 1 3.207 0.02 . . . . . . . . . . 6010 1 403 . 1 1 33 33 ASN ND2 N 15 114.558 0.03 . . . . . . . . . . 6010 1 404 . 1 1 33 33 ASN HD21 H 1 8.056 0.02 . . . . . . . . . . 6010 1 405 . 1 1 33 33 ASN HD22 H 1 7.437 0.02 . . . . . . . . . . 6010 1 406 . 1 1 33 33 ASN C C 13 175.569 0.04 . . . . . . . . . . 6010 1 407 . 1 1 34 34 GLY N N 15 110.321 0.03 . . . . . . . . . . 6010 1 408 . 1 1 34 34 GLY H H 1 9.002 0.02 . . . . . . . . . . 6010 1 409 . 1 1 34 34 GLY CA C 13 46.325 0.04 . . . . . . . . . . 6010 1 410 . 1 1 34 34 GLY HA2 H 1 4.327 0.02 . . . . . . . . . . 6010 1 411 . 1 1 34 34 GLY HA3 H 1 4.075 0.02 . . . . . . . . . . 6010 1 412 . 1 1 34 34 GLY C C 13 176.652 0.04 . . . . . . . . . . 6010 1 413 . 1 1 35 35 VAL N N 15 110.439 0.03 . . . . . . . . . . 6010 1 414 . 1 1 35 35 VAL H H 1 7.487 0.02 . . . . . . . . . . 6010 1 415 . 1 1 35 35 VAL CA C 13 64.235 0.04 . . . . . . . . . . 6010 1 416 . 1 1 35 35 VAL HA H 1 4.048 0.02 . . . . . . . . . . 6010 1 417 . 1 1 35 35 VAL CB C 13 30.461 0.04 . . . . . . . . . . 6010 1 418 . 1 1 35 35 VAL HB H 1 2.497 0.02 . . . . . . . . . . 6010 1 419 . 1 1 35 35 VAL HG11 H 1 0.842 0.02 . . . . . . . . . . 6010 1 420 . 1 1 35 35 VAL HG12 H 1 0.842 0.02 . . . . . . . . . . 6010 1 421 . 1 1 35 35 VAL HG13 H 1 0.842 0.02 . . . . . . . . . . 6010 1 422 . 1 1 35 35 VAL HG21 H 1 1.127 0.02 . . . . . . . . . . 6010 1 423 . 1 1 35 35 VAL HG22 H 1 1.127 0.02 . . . . . . . . . . 6010 1 424 . 1 1 35 35 VAL HG23 H 1 1.127 0.02 . . . . . . . . . . 6010 1 425 . 1 1 35 35 VAL CG1 C 13 17.667 0.04 . . . . . . . . . . 6010 1 426 . 1 1 35 35 VAL CG2 C 13 20.738 0.04 . . . . . . . . . . 6010 1 427 . 1 1 35 35 VAL C C 13 177.214 0.04 . . . . . . . . . . 6010 1 428 . 1 1 36 36 PHE N N 15 119.676 0.03 . . . . . . . . . . 6010 1 429 . 1 1 36 36 PHE H H 1 7.733 0.02 . . . . . . . . . . 6010 1 430 . 1 1 36 36 PHE CA C 13 61.421 0.04 . . . . . . . . . . 6010 1 431 . 1 1 36 36 PHE HA H 1 4.393 0.02 . . . . . . . . . . 6010 1 432 . 1 1 36 36 PHE CB C 13 38.649 0.04 . . . . . . . . . . 6010 1 433 . 1 1 36 36 PHE HB2 H 1 3.282 0.02 . . . . . . . . . . 6010 1 434 . 1 1 36 36 PHE HB3 H 1 2.814 0.02 . . . . . . . . . . 6010 1 435 . 1 1 36 36 PHE HD1 H 1 7.729 0.02 . . . . . . . . . . 6010 1 436 . 1 1 36 36 PHE HE1 H 1 7.697 0.02 . . . . . . . . . . 6010 1 437 . 1 1 36 36 PHE C C 13 178.699 0.04 . . . . . . . . . . 6010 1 438 . 1 1 37 37 TRP N N 15 118.406 0.03 . . . . . . . . . . 6010 1 439 . 1 1 37 37 TRP H H 1 8.199 0.02 . . . . . . . . . . 6010 1 440 . 1 1 37 37 TRP CA C 13 59.630 0.04 . . . . . . . . . . 6010 1 441 . 1 1 37 37 TRP HA H 1 4.308 0.02 . . . . . . . . . . 6010 1 442 . 1 1 37 37 TRP CB C 13 28.414 0.04 . . . . . . . . . . 6010 1 443 . 1 1 37 37 TRP HB2 H 1 3.470 0.02 . . . . . . . . . . 6010 1 444 . 1 1 37 37 TRP NE1 N 15 127.851 0.03 . . . . . . . . . . 6010 1 445 . 1 1 37 37 TRP HD1 H 1 8.119 0.02 . . . . . . . . . . 6010 1 446 . 1 1 37 37 TRP HE3 H 1 7.589 0.02 . . . . . . . . . . 6010 1 447 . 1 1 37 37 TRP HE1 H 1 9.693 0.02 . . . . . . . . . . 6010 1 448 . 1 1 37 37 TRP HZ3 H 1 7.228 0.02 . . . . . . . . . . 6010 1 449 . 1 1 37 37 TRP HZ2 H 1 7.525 0.02 . . . . . . . . . . 6010 1 450 . 1 1 37 37 TRP HH2 H 1 7.245 0.02 . . . . . . . . . . 6010 1 451 . 1 1 37 37 TRP C C 13 176.398 0.04 . . . . . . . . . . 6010 1 452 . 1 1 38 38 ALA N N 15 119.101 0.03 . . . . . . . . . . 6010 1 453 . 1 1 38 38 ALA H H 1 7.887 0.02 . . . . . . . . . . 6010 1 454 . 1 1 38 38 ALA CA C 13 53.233 0.04 . . . . . . . . . . 6010 1 455 . 1 1 38 38 ALA HA H 1 4.069 0.02 . . . . . . . . . . 6010 1 456 . 1 1 38 38 ALA HB1 H 1 1.357 0.02 . . . . . . . . . . 6010 1 457 . 1 1 38 38 ALA HB2 H 1 1.357 0.02 . . . . . . . . . . 6010 1 458 . 1 1 38 38 ALA HB3 H 1 1.357 0.02 . . . . . . . . . . 6010 1 459 . 1 1 38 38 ALA CB C 13 18.435 0.04 . . . . . . . . . . 6010 1 460 . 1 1 38 38 ALA C C 13 175.863 0.04 . . . . . . . . . . 6010 1 461 . 1 1 39 39 LEU N N 15 114.399 0.03 . . . . . . . . . . 6010 1 462 . 1 1 39 39 LEU H H 1 6.955 0.02 . . . . . . . . . . 6010 1 463 . 1 1 39 39 LEU CA C 13 55.024 0.04 . . . . . . . . . . 6010 1 464 . 1 1 39 39 LEU HA H 1 4.515 0.02 . . . . . . . . . . 6010 1 465 . 1 1 39 39 LEU CB C 13 42.487 0.04 . . . . . . . . . . 6010 1 466 . 1 1 39 39 LEU HB2 H 1 1.887 0.02 . . . . . . . . . . 6010 1 467 . 1 1 39 39 LEU CG C 13 27.646 0.04 . . . . . . . . . . 6010 1 468 . 1 1 39 39 LEU HG H 1 1.622 0.02 . . . . . . . . . . 6010 1 469 . 1 1 39 39 LEU HD11 H 1 0.822 0.02 . . . . . . . . . . 6010 1 470 . 1 1 39 39 LEU HD12 H 1 0.822 0.02 . . . . . . . . . . 6010 1 471 . 1 1 39 39 LEU HD13 H 1 0.822 0.02 . . . . . . . . . . 6010 1 472 . 1 1 39 39 LEU HD21 H 1 0.747 0.02 . . . . . . . . . . 6010 1 473 . 1 1 39 39 LEU HD22 H 1 0.747 0.02 . . . . . . . . . . 6010 1 474 . 1 1 39 39 LEU HD23 H 1 0.747 0.02 . . . . . . . . . . 6010 1 475 . 1 1 39 39 LEU CD1 C 13 25.343 0.04 . . . . . . . . . . 6010 1 476 . 1 1 39 39 LEU CD2 C 13 24.832 0.04 . . . . . . . . . . 6010 1 477 . 1 1 39 39 LEU C C 13 177.335 0.04 . . . . . . . . . . 6010 1 478 . 1 1 40 40 GLU N N 15 118.346 0.03 . . . . . . . . . . 6010 1 479 . 1 1 40 40 GLU H H 1 7.595 0.02 . . . . . . . . . . 6010 1 480 . 1 1 40 40 GLU CA C 13 54.257 0.04 . . . . . . . . . . 6010 1 481 . 1 1 40 40 GLU HA H 1 4.585 0.02 . . . . . . . . . . 6010 1 482 . 1 1 40 40 GLU CB C 13 32.252 0.04 . . . . . . . . . . 6010 1 483 . 1 1 40 40 GLU HB2 H 1 2.262 0.02 . . . . . . . . . . 6010 1 484 . 1 1 40 40 GLU CG C 13 35.834 0.04 . . . . . . . . . . 6010 1 485 . 1 1 40 40 GLU HG2 H 1 2.342 0.02 . . . . . . . . . . 6010 1 486 . 1 1 40 40 GLU C C 13 174.472 0.04 . . . . . . . . . . 6010 1 487 . 1 1 41 41 GLU N N 15 119.598 0.03 . . . . . . . . . . 6010 1 488 . 1 1 41 41 GLU H H 1 8.555 0.02 . . . . . . . . . . 6010 1 489 . 1 1 41 41 GLU CA C 13 56.048 0.04 . . . . . . . . . . 6010 1 490 . 1 1 41 41 GLU HA H 1 4.390 0.02 . . . . . . . . . . 6010 1 491 . 1 1 41 41 GLU CB C 13 28.926 0.04 . . . . . . . . . . 6010 1 492 . 1 1 41 41 GLU HB2 H 1 2.105 0.02 . . . . . . . . . . 6010 1 493 . 1 1 41 41 GLU HB3 H 1 2.033 0.02 . . . . . . . . . . 6010 1 494 . 1 1 41 41 GLU CG C 13 36.090 0.04 . . . . . . . . . . 6010 1 495 . 1 1 41 41 GLU HG2 H 1 2.352 0.02 . . . . . . . . . . 6010 1 496 . 1 1 41 41 GLU C C 13 176.398 0.04 . . . . . . . . . . 6010 1 497 . 1 1 42 42 LEU N N 15 127.000 0.03 . . . . . . . . . . 6010 1 498 . 1 1 42 42 LEU H H 1 8.495 0.02 . . . . . . . . . . 6010 1 499 . 1 1 42 42 LEU CA C 13 54.512 0.04 . . . . . . . . . . 6010 1 500 . 1 1 42 42 LEU HA H 1 4.514 0.02 . . . . . . . . . . 6010 1 501 . 1 1 42 42 LEU CB C 13 43.254 0.04 . . . . . . . . . . 6010 1 502 . 1 1 42 42 LEU HB2 H 1 1.624 0.02 . . . . . . . . . . 6010 1 503 . 1 1 42 42 LEU HB3 H 1 1.163 0.02 . . . . . . . . . . 6010 1 504 . 1 1 42 42 LEU CG C 13 27.902 0.04 . . . . . . . . . . 6010 1 505 . 1 1 42 42 LEU HG H 1 1.612 0.02 . . . . . . . . . . 6010 1 506 . 1 1 42 42 LEU HD11 H 1 0.943 0.02 . . . . . . . . . . 6010 1 507 . 1 1 42 42 LEU HD12 H 1 0.943 0.02 . . . . . . . . . . 6010 1 508 . 1 1 42 42 LEU HD13 H 1 0.943 0.02 . . . . . . . . . . 6010 1 509 . 1 1 42 42 LEU HD21 H 1 1.118 0.02 . . . . . . . . . . 6010 1 510 . 1 1 42 42 LEU HD22 H 1 1.118 0.02 . . . . . . . . . . 6010 1 511 . 1 1 42 42 LEU HD23 H 1 1.118 0.02 . . . . . . . . . . 6010 1 512 . 1 1 42 42 LEU CD1 C 13 25.855 0.04 . . . . . . . . . . 6010 1 513 . 1 1 42 42 LEU CD2 C 13 23.552 0.04 . . . . . . . . . . 6010 1 514 . 1 1 42 42 LEU C C 13 176.318 0.04 . . . . . . . . . . 6010 1 515 . 1 1 43 43 GLU N N 15 123.245 0.03 . . . . . . . . . . 6010 1 516 . 1 1 43 43 GLU H H 1 8.513 0.02 . . . . . . . . . . 6010 1 517 . 1 1 43 43 GLU CA C 13 55.280 0.04 . . . . . . . . . . 6010 1 518 . 1 1 43 43 GLU HA H 1 4.420 0.02 . . . . . . . . . . 6010 1 519 . 1 1 43 43 GLU CB C 13 28.926 0.04 . . . . . . . . . . 6010 1 520 . 1 1 43 43 GLU HB2 H 1 2.095 0.02 . . . . . . . . . . 6010 1 521 . 1 1 43 43 GLU HB3 H 1 2.007 0.02 . . . . . . . . . . 6010 1 522 . 1 1 43 43 GLU CG C 13 36.090 0.04 . . . . . . . . . . 6010 1 523 . 1 1 43 43 GLU HG2 H 1 2.272 0.02 . . . . . . . . . . 6010 1 524 . 1 1 43 43 GLU HG3 H 1 2.218 0.02 . . . . . . . . . . 6010 1 525 . 1 1 43 43 GLU C C 13 174.231 0.04 . . . . . . . . . . 6010 1 526 . 1 1 44 44 THR N N 15 118.594 0.03 . . . . . . . . . . 6010 1 527 . 1 1 44 44 THR H H 1 7.623 0.02 . . . . . . . . . . 6010 1 528 . 1 1 44 44 THR CA C 13 57.327 0.04 . . . . . . . . . . 6010 1 529 . 1 1 44 44 THR HA H 1 5.069 0.02 . . . . . . . . . . 6010 1 530 . 1 1 44 44 THR CB C 13 69.353 0.04 . . . . . . . . . . 6010 1 531 . 1 1 44 44 THR HB H 1 4.176 0.02 . . . . . . . . . . 6010 1 532 . 1 1 44 44 THR HG21 H 1 0.935 0.02 . . . . . . . . . . 6010 1 533 . 1 1 44 44 THR HG22 H 1 0.935 0.02 . . . . . . . . . . 6010 1 534 . 1 1 44 44 THR HG23 H 1 0.935 0.02 . . . . . . . . . . 6010 1 535 . 1 1 44 44 THR CG2 C 13 18.691 0.04 . . . . . . . . . . 6010 1 536 . 1 1 45 45 PRO CD C 13 51.442 0.04 . . . . . . . . . . 6010 1 537 . 1 1 45 45 PRO CA C 13 62.444 0.04 . . . . . . . . . . 6010 1 538 . 1 1 45 45 PRO HA H 1 4.760 0.02 . . . . . . . . . . 6010 1 539 . 1 1 45 45 PRO CB C 13 32.252 0.04 . . . . . . . . . . 6010 1 540 . 1 1 45 45 PRO HB2 H 1 2.345 0.02 . . . . . . . . . . 6010 1 541 . 1 1 45 45 PRO HB3 H 1 1.820 0.02 . . . . . . . . . . 6010 1 542 . 1 1 45 45 PRO CG C 13 26.623 0.04 . . . . . . . . . . 6010 1 543 . 1 1 45 45 PRO HG2 H 1 2.146 0.02 . . . . . . . . . . 6010 1 544 . 1 1 45 45 PRO HG3 H 1 1.834 0.02 . . . . . . . . . . 6010 1 545 . 1 1 45 45 PRO HD2 H 1 4.074 0.02 . . . . . . . . . . 6010 1 546 . 1 1 45 45 PRO HD3 H 1 3.813 0.02 . . . . . . . . . . 6010 1 547 . 1 1 45 45 PRO C C 13 176.452 0.04 . . . . . . . . . . 6010 1 548 . 1 1 46 46 ALA N N 15 123.317 0.03 . . . . . . . . . . 6010 1 549 . 1 1 46 46 ALA H H 1 7.452 0.02 . . . . . . . . . . 6010 1 550 . 1 1 46 46 ALA CA C 13 51.954 0.04 . . . . . . . . . . 6010 1 551 . 1 1 46 46 ALA HA H 1 4.433 0.02 . . . . . . . . . . 6010 1 552 . 1 1 46 46 ALA HB1 H 1 1.300 0.02 . . . . . . . . . . 6010 1 553 . 1 1 46 46 ALA HB2 H 1 1.300 0.02 . . . . . . . . . . 6010 1 554 . 1 1 46 46 ALA HB3 H 1 1.300 0.02 . . . . . . . . . . 6010 1 555 . 1 1 46 46 ALA CB C 13 20.226 0.04 . . . . . . . . . . 6010 1 556 . 1 1 46 46 ALA C C 13 176.438 0.04 . . . . . . . . . . 6010 1 557 . 1 1 47 47 LYS N N 15 118.182 0.03 . . . . . . . . . . 6010 1 558 . 1 1 47 47 LYS H H 1 7.372 0.02 . . . . . . . . . . 6010 1 559 . 1 1 47 47 LYS CA C 13 56.048 0.04 . . . . . . . . . . 6010 1 560 . 1 1 47 47 LYS HA H 1 4.240 0.02 . . . . . . . . . . 6010 1 561 . 1 1 47 47 LYS CB C 13 33.275 0.04 . . . . . . . . . . 6010 1 562 . 1 1 47 47 LYS HB2 H 1 1.852 0.02 . . . . . . . . . . 6010 1 563 . 1 1 47 47 LYS HB3 H 1 1.779 0.02 . . . . . . . . . . 6010 1 564 . 1 1 47 47 LYS CG C 13 25.088 0.04 . . . . . . . . . . 6010 1 565 . 1 1 47 47 LYS HG2 H 1 1.662 0.02 . . . . . . . . . . 6010 1 566 . 1 1 47 47 LYS HG3 H 1 1.619 0.02 . . . . . . . . . . 6010 1 567 . 1 1 47 47 LYS CD C 13 28.670 0.04 . . . . . . . . . . 6010 1 568 . 1 1 47 47 LYS HD2 H 1 1.838 0.02 . . . . . . . . . . 6010 1 569 . 1 1 47 47 LYS HD3 H 1 1.754 0.02 . . . . . . . . . . 6010 1 570 . 1 1 47 47 LYS CE C 13 42.487 0.04 . . . . . . . . . . 6010 1 571 . 1 1 47 47 LYS HE2 H 1 3.108 0.02 . . . . . . . . . . 6010 1 572 . 1 1 47 47 LYS C C 13 174.686 0.04 . . . . . . . . . . 6010 1 573 . 1 1 48 48 VAL N N 15 121.913 0.03 . . . . . . . . . . 6010 1 574 . 1 1 48 48 VAL H H 1 7.367 0.02 . . . . . . . . . . 6010 1 575 . 1 1 48 48 VAL CA C 13 60.397 0.04 . . . . . . . . . . 6010 1 576 . 1 1 48 48 VAL HA H 1 4.983 0.02 . . . . . . . . . . 6010 1 577 . 1 1 48 48 VAL CB C 13 33.531 0.04 . . . . . . . . . . 6010 1 578 . 1 1 48 48 VAL HB H 1 1.736 0.02 . . . . . . . . . . 6010 1 579 . 1 1 48 48 VAL HG11 H 1 0.791 0.02 . . . . . . . . . . 6010 1 580 . 1 1 48 48 VAL HG12 H 1 0.791 0.02 . . . . . . . . . . 6010 1 581 . 1 1 48 48 VAL HG13 H 1 0.791 0.02 . . . . . . . . . . 6010 1 582 . 1 1 48 48 VAL HG21 H 1 0.791 0.02 . . . . . . . . . . 6010 1 583 . 1 1 48 48 VAL HG22 H 1 0.791 0.02 . . . . . . . . . . 6010 1 584 . 1 1 48 48 VAL HG23 H 1 0.791 0.02 . . . . . . . . . . 6010 1 585 . 1 1 48 48 VAL CG1 C 13 21.761 0.04 . . . . . . . . . . 6010 1 586 . 1 1 48 48 VAL CG2 C 13 21.761 0.04 . . . . . . . . . . 6010 1 587 . 1 1 48 48 VAL C C 13 173.683 0.04 . . . . . . . . . . 6010 1 588 . 1 1 49 49 TYR N N 15 122.667 0.03 . . . . . . . . . . 6010 1 589 . 1 1 49 49 TYR H H 1 8.915 0.02 . . . . . . . . . . 6010 1 590 . 1 1 49 49 TYR CA C 13 55.280 0.04 . . . . . . . . . . 6010 1 591 . 1 1 49 49 TYR HA H 1 5.123 0.02 . . . . . . . . . . 6010 1 592 . 1 1 49 49 TYR CB C 13 43.254 0.04 . . . . . . . . . . 6010 1 593 . 1 1 49 49 TYR HB2 H 1 2.958 0.02 . . . . . . . . . . 6010 1 594 . 1 1 49 49 TYR HB3 H 1 2.543 0.02 . . . . . . . . . . 6010 1 595 . 1 1 49 49 TYR HD1 H 1 6.989 0.02 . . . . . . . . . . 6010 1 596 . 1 1 49 49 TYR HE1 H 1 6.642 0.02 . . . . . . . . . . 6010 1 597 . 1 1 49 49 TYR C C 13 174.472 0.04 . . . . . . . . . . 6010 1 598 . 1 1 50 50 ALA N N 15 120.967 0.03 . . . . . . . . . . 6010 1 599 . 1 1 50 50 ALA H H 1 8.710 0.02 . . . . . . . . . . 6010 1 600 . 1 1 50 50 ALA CA C 13 49.395 0.04 . . . . . . . . . . 6010 1 601 . 1 1 50 50 ALA HA H 1 5.429 0.02 . . . . . . . . . . 6010 1 602 . 1 1 50 50 ALA HB1 H 1 1.079 0.02 . . . . . . . . . . 6010 1 603 . 1 1 50 50 ALA HB2 H 1 1.079 0.02 . . . . . . . . . . 6010 1 604 . 1 1 50 50 ALA HB3 H 1 1.079 0.02 . . . . . . . . . . 6010 1 605 . 1 1 50 50 ALA CB C 13 21.505 0.04 . . . . . . . . . . 6010 1 606 . 1 1 50 50 ALA C C 13 175.903 0.04 . . . . . . . . . . 6010 1 607 . 1 1 51 51 ILE N N 15 120.980 0.03 . . . . . . . . . . 6010 1 608 . 1 1 51 51 ILE H H 1 7.790 0.02 . . . . . . . . . . 6010 1 609 . 1 1 51 51 ILE CA C 13 59.118 0.04 . . . . . . . . . . 6010 1 610 . 1 1 51 51 ILE HA H 1 4.185 0.02 . . . . . . . . . . 6010 1 611 . 1 1 51 51 ILE CB C 13 35.066 0.04 . . . . . . . . . . 6010 1 612 . 1 1 51 51 ILE HB H 1 2.090 0.02 . . . . . . . . . . 6010 1 613 . 1 1 51 51 ILE HG21 H 1 0.551 0.02 . . . . . . . . . . 6010 1 614 . 1 1 51 51 ILE HG22 H 1 0.551 0.02 . . . . . . . . . . 6010 1 615 . 1 1 51 51 ILE HG23 H 1 0.551 0.02 . . . . . . . . . . 6010 1 616 . 1 1 51 51 ILE CG2 C 13 17.156 0.04 . . . . . . . . . . 6010 1 617 . 1 1 51 51 ILE CG1 C 13 26.111 0.04 . . . . . . . . . . 6010 1 618 . 1 1 51 51 ILE HG12 H 1 1.430 0.02 . . . . . . . . . . 6010 1 619 . 1 1 51 51 ILE HG13 H 1 1.092 0.02 . . . . . . . . . . 6010 1 620 . 1 1 51 51 ILE HD11 H 1 0.114 0.02 . . . . . . . . . . 6010 1 621 . 1 1 51 51 ILE HD12 H 1 0.114 0.02 . . . . . . . . . . 6010 1 622 . 1 1 51 51 ILE HD13 H 1 0.114 0.02 . . . . . . . . . . 6010 1 623 . 1 1 51 51 ILE CD1 C 13 7.944 0.04 . . . . . . . . . . 6010 1 624 . 1 1 51 51 ILE C C 13 176.760 0.04 . . . . . . . . . . 6010 1 625 . 1 1 52 52 LYS N N 15 132.536 0.03 . . . . . . . . . . 6010 1 626 . 1 1 52 52 LYS H H 1 9.505 0.02 . . . . . . . . . . 6010 1 627 . 1 1 52 52 LYS CA C 13 60.653 0.04 . . . . . . . . . . 6010 1 628 . 1 1 52 52 LYS HA H 1 3.848 0.02 . . . . . . . . . . 6010 1 629 . 1 1 52 52 LYS CB C 13 33.019 0.04 . . . . . . . . . . 6010 1 630 . 1 1 52 52 LYS HB2 H 1 1.793 0.02 . . . . . . . . . . 6010 1 631 . 1 1 52 52 LYS HB3 H 1 1.552 0.02 . . . . . . . . . . 6010 1 632 . 1 1 52 52 LYS CG C 13 24.832 0.04 . . . . . . . . . . 6010 1 633 . 1 1 52 52 LYS HG2 H 1 1.579 0.02 . . . . . . . . . . 6010 1 634 . 1 1 52 52 LYS HG3 H 1 1.329 0.02 . . . . . . . . . . 6010 1 635 . 1 1 52 52 LYS CD C 13 29.693 0.04 . . . . . . . . . . 6010 1 636 . 1 1 52 52 LYS HD2 H 1 1.742 0.02 . . . . . . . . . . 6010 1 637 . 1 1 52 52 LYS CE C 13 41.975 0.04 . . . . . . . . . . 6010 1 638 . 1 1 52 52 LYS HE2 H 1 2.942 0.02 . . . . . . . . . . 6010 1 639 . 1 1 52 52 LYS C C 13 177.749 0.04 . . . . . . . . . . 6010 1 640 . 1 1 53 53 ASP N N 15 115.694 0.03 . . . . . . . . . . 6010 1 641 . 1 1 53 53 ASP H H 1 9.076 0.02 . . . . . . . . . . 6010 1 642 . 1 1 53 53 ASP CA C 13 57.327 0.04 . . . . . . . . . . 6010 1 643 . 1 1 53 53 ASP HA H 1 4.333 0.02 . . . . . . . . . . 6010 1 644 . 1 1 53 53 ASP CB C 13 39.928 0.04 . . . . . . . . . . 6010 1 645 . 1 1 53 53 ASP HB2 H 1 2.836 0.02 . . . . . . . . . . 6010 1 646 . 1 1 53 53 ASP HB3 H 1 2.469 0.02 . . . . . . . . . . 6010 1 647 . 1 1 53 53 ASP C C 13 178.485 0.04 . . . . . . . . . . 6010 1 648 . 1 1 54 54 ASP N N 15 117.247 0.03 . . . . . . . . . . 6010 1 649 . 1 1 54 54 ASP H H 1 6.726 0.02 . . . . . . . . . . 6010 1 650 . 1 1 54 54 ASP CA C 13 56.559 0.04 . . . . . . . . . . 6010 1 651 . 1 1 54 54 ASP HA H 1 4.478 0.02 . . . . . . . . . . 6010 1 652 . 1 1 54 54 ASP CB C 13 40.951 0.04 . . . . . . . . . . 6010 1 653 . 1 1 54 54 ASP HB2 H 1 2.690 0.02 . . . . . . . . . . 6010 1 654 . 1 1 54 54 ASP C C 13 177.576 0.04 . . . . . . . . . . 6010 1 655 . 1 1 55 55 PHE N N 15 123.932 0.03 . . . . . . . . . . 6010 1 656 . 1 1 55 55 PHE H H 1 7.966 0.02 . . . . . . . . . . 6010 1 657 . 1 1 55 55 PHE CA C 13 62.188 0.04 . . . . . . . . . . 6010 1 658 . 1 1 55 55 PHE HA H 1 4.222 0.02 . . . . . . . . . . 6010 1 659 . 1 1 55 55 PHE CB C 13 40.696 0.04 . . . . . . . . . . 6010 1 660 . 1 1 55 55 PHE HB2 H 1 3.207 0.02 . . . . . . . . . . 6010 1 661 . 1 1 55 55 PHE HB3 H 1 2.828 0.02 . . . . . . . . . . 6010 1 662 . 1 1 55 55 PHE HD1 H 1 6.874 0.02 . . . . . . . . . . 6010 1 663 . 1 1 55 55 PHE HE1 H 1 7.208 0.02 . . . . . . . . . . 6010 1 664 . 1 1 55 55 PHE HZ H 1 6.680 0.02 . . . . . . . . . . 6010 1 665 . 1 1 55 55 PHE C C 13 176.760 0.04 . . . . . . . . . . 6010 1 666 . 1 1 56 56 LEU N N 15 117.553 0.03 . . . . . . . . . . 6010 1 667 . 1 1 56 56 LEU H H 1 8.614 0.02 . . . . . . . . . . 6010 1 668 . 1 1 56 56 LEU CA C 13 57.071 0.04 . . . . . . . . . . 6010 1 669 . 1 1 56 56 LEU HA H 1 4.447 0.02 . . . . . . . . . . 6010 1 670 . 1 1 56 56 LEU CB C 13 40.440 0.04 . . . . . . . . . . 6010 1 671 . 1 1 56 56 LEU HB2 H 1 1.866 0.02 . . . . . . . . . . 6010 1 672 . 1 1 56 56 LEU HB3 H 1 1.762 0.02 . . . . . . . . . . 6010 1 673 . 1 1 56 56 LEU CG C 13 27.646 0.04 . . . . . . . . . . 6010 1 674 . 1 1 56 56 LEU HG H 1 2.154 0.02 . . . . . . . . . . 6010 1 675 . 1 1 56 56 LEU HD11 H 1 1.071 0.02 . . . . . . . . . . 6010 1 676 . 1 1 56 56 LEU HD12 H 1 1.071 0.02 . . . . . . . . . . 6010 1 677 . 1 1 56 56 LEU HD13 H 1 1.071 0.02 . . . . . . . . . . 6010 1 678 . 1 1 56 56 LEU HD21 H 1 1.072 0.02 . . . . . . . . . . 6010 1 679 . 1 1 56 56 LEU HD22 H 1 1.072 0.02 . . . . . . . . . . 6010 1 680 . 1 1 56 56 LEU HD23 H 1 1.072 0.02 . . . . . . . . . . 6010 1 681 . 1 1 56 56 LEU CD1 C 13 23.041 0.04 . . . . . . . . . . 6010 1 682 . 1 1 56 56 LEU CD2 C 13 25.343 0.04 . . . . . . . . . . 6010 1 683 . 1 1 56 56 LEU C C 13 181.749 0.04 . . . . . . . . . . 6010 1 684 . 1 1 57 57 ALA N N 15 120.608 0.03 . . . . . . . . . . 6010 1 685 . 1 1 57 57 ALA H H 1 7.916 0.02 . . . . . . . . . . 6010 1 686 . 1 1 57 57 ALA CA C 13 54.257 0.04 . . . . . . . . . . 6010 1 687 . 1 1 57 57 ALA HA H 1 4.300 0.02 . . . . . . . . . . 6010 1 688 . 1 1 57 57 ALA HB1 H 1 1.664 0.02 . . . . . . . . . . 6010 1 689 . 1 1 57 57 ALA HB2 H 1 1.664 0.02 . . . . . . . . . . 6010 1 690 . 1 1 57 57 ALA HB3 H 1 1.664 0.02 . . . . . . . . . . 6010 1 691 . 1 1 57 57 ALA CB C 13 18.435 0.04 . . . . . . . . . . 6010 1 692 . 1 1 57 57 ALA C C 13 179.141 0.04 . . . . . . . . . . 6010 1 693 . 1 1 58 58 ARG N N 15 115.364 0.03 . . . . . . . . . . 6010 1 694 . 1 1 58 58 ARG H H 1 6.972 0.02 . . . . . . . . . . 6010 1 695 . 1 1 58 58 ARG CA C 13 56.048 0.04 . . . . . . . . . . 6010 1 696 . 1 1 58 58 ARG HA H 1 4.297 0.02 . . . . . . . . . . 6010 1 697 . 1 1 58 58 ARG CB C 13 28.414 0.04 . . . . . . . . . . 6010 1 698 . 1 1 58 58 ARG HB2 H 1 2.281 0.02 . . . . . . . . . . 6010 1 699 . 1 1 58 58 ARG HB3 H 1 1.312 0.02 . . . . . . . . . . 6010 1 700 . 1 1 58 58 ARG CG C 13 28.158 0.04 . . . . . . . . . . 6010 1 701 . 1 1 58 58 ARG HG2 H 1 1.657 0.02 . . . . . . . . . . 6010 1 702 . 1 1 58 58 ARG CD C 13 42.742 0.04 . . . . . . . . . . 6010 1 703 . 1 1 58 58 ARG HD2 H 1 2.882 0.02 . . . . . . . . . . 6010 1 704 . 1 1 58 58 ARG HD3 H 1 2.416 0.02 . . . . . . . . . . 6010 1 705 . 1 1 58 58 ARG C C 13 175.007 0.04 . . . . . . . . . . 6010 1 706 . 1 1 59 59 GLY N N 15 105.320 0.03 . . . . . . . . . . 6010 1 707 . 1 1 59 59 GLY H H 1 7.650 0.02 . . . . . . . . . . 6010 1 708 . 1 1 59 59 GLY CA C 13 45.301 0.04 . . . . . . . . . . 6010 1 709 . 1 1 59 59 GLY HA2 H 1 3.960 0.02 . . . . . . . . . . 6010 1 710 . 1 1 59 59 GLY HA3 H 1 3.628 0.02 . . . . . . . . . . 6010 1 711 . 1 1 59 59 GLY C C 13 173.428 0.04 . . . . . . . . . . 6010 1 712 . 1 1 60 60 TYR N N 15 118.504 0.03 . . . . . . . . . . 6010 1 713 . 1 1 60 60 TYR H H 1 6.356 0.02 . . . . . . . . . . 6010 1 714 . 1 1 60 60 TYR CA C 13 57.583 0.04 . . . . . . . . . . 6010 1 715 . 1 1 60 60 TYR HA H 1 4.434 0.02 . . . . . . . . . . 6010 1 716 . 1 1 60 60 TYR CB C 13 40.440 0.04 . . . . . . . . . . 6010 1 717 . 1 1 60 60 TYR HB2 H 1 2.895 0.02 . . . . . . . . . . 6010 1 718 . 1 1 60 60 TYR HB3 H 1 1.107 0.02 . . . . . . . . . . 6010 1 719 . 1 1 60 60 TYR HD1 H 1 6.701 0.02 . . . . . . . . . . 6010 1 720 . 1 1 60 60 TYR HE1 H 1 6.683 0.02 . . . . . . . . . . 6010 1 721 . 1 1 60 60 TYR C C 13 174.218 0.04 . . . . . . . . . . 6010 1 722 . 1 1 61 61 SER N N 15 115.054 0.03 . . . . . . . . . . 6010 1 723 . 1 1 61 61 SER H H 1 9.122 0.02 . . . . . . . . . . 6010 1 724 . 1 1 61 61 SER CA C 13 56.815 0.04 . . . . . . . . . . 6010 1 725 . 1 1 61 61 SER HA H 1 4.911 0.02 . . . . . . . . . . 6010 1 726 . 1 1 61 61 SER CB C 13 65.259 0.04 . . . . . . . . . . 6010 1 727 . 1 1 61 61 SER HB2 H 1 4.042 0.02 . . . . . . . . . . 6010 1 728 . 1 1 61 61 SER C C 13 176.010 0.04 . . . . . . . . . . 6010 1 729 . 1 1 62 62 GLU N N 15 123.551 0.03 . . . . . . . . . . 6010 1 730 . 1 1 62 62 GLU H H 1 9.531 0.02 . . . . . . . . . . 6010 1 731 . 1 1 62 62 GLU CA C 13 60.909 0.04 . . . . . . . . . . 6010 1 732 . 1 1 62 62 GLU HA H 1 3.991 0.02 . . . . . . . . . . 6010 1 733 . 1 1 62 62 GLU CB C 13 29.437 0.04 . . . . . . . . . . 6010 1 734 . 1 1 62 62 GLU HB2 H 1 2.190 0.02 . . . . . . . . . . 6010 1 735 . 1 1 62 62 GLU HB3 H 1 2.113 0.02 . . . . . . . . . . 6010 1 736 . 1 1 62 62 GLU CG C 13 37.369 0.04 . . . . . . . . . . 6010 1 737 . 1 1 62 62 GLU HG2 H 1 2.486 0.02 . . . . . . . . . . 6010 1 738 . 1 1 62 62 GLU HG3 H 1 2.409 0.02 . . . . . . . . . . 6010 1 739 . 1 1 62 62 GLU C C 13 178.044 0.04 . . . . . . . . . . 6010 1 740 . 1 1 63 63 GLU N N 15 116.199 0.03 . . . . . . . . . . 6010 1 741 . 1 1 63 63 GLU H H 1 8.956 0.02 . . . . . . . . . . 6010 1 742 . 1 1 63 63 GLU CA C 13 58.350 0.04 . . . . . . . . . . 6010 1 743 . 1 1 63 63 GLU HA H 1 4.250 0.02 . . . . . . . . . . 6010 1 744 . 1 1 63 63 GLU CB C 13 28.926 0.04 . . . . . . . . . . 6010 1 745 . 1 1 63 63 GLU HB2 H 1 2.188 0.02 . . . . . . . . . . 6010 1 746 . 1 1 63 63 GLU HB3 H 1 2.114 0.02 . . . . . . . . . . 6010 1 747 . 1 1 63 63 GLU CG C 13 36.346 0.04 . . . . . . . . . . 6010 1 748 . 1 1 63 63 GLU HG2 H 1 2.421 0.02 . . . . . . . . . . 6010 1 749 . 1 1 63 63 GLU C C 13 176.733 0.04 . . . . . . . . . . 6010 1 750 . 1 1 64 64 ASP N N 15 117.845 0.03 . . . . . . . . . . 6010 1 751 . 1 1 64 64 ASP H H 1 8.108 0.02 . . . . . . . . . . 6010 1 752 . 1 1 64 64 ASP CA C 13 55.792 0.04 . . . . . . . . . . 6010 1 753 . 1 1 64 64 ASP HA H 1 4.704 0.02 . . . . . . . . . . 6010 1 754 . 1 1 64 64 ASP CB C 13 41.975 0.04 . . . . . . . . . . 6010 1 755 . 1 1 64 64 ASP HB2 H 1 3.263 0.02 . . . . . . . . . . 6010 1 756 . 1 1 64 64 ASP HB3 H 1 2.941 0.02 . . . . . . . . . . 6010 1 757 . 1 1 64 64 ASP C C 13 176.398 0.04 . . . . . . . . . . 6010 1 758 . 1 1 65 65 SER N N 15 109.995 0.03 . . . . . . . . . . 6010 1 759 . 1 1 65 65 SER H H 1 7.256 0.02 . . . . . . . . . . 6010 1 760 . 1 1 65 65 SER CA C 13 57.839 0.04 . . . . . . . . . . 6010 1 761 . 1 1 65 65 SER HA H 1 3.993 0.02 . . . . . . . . . . 6010 1 762 . 1 1 65 65 SER CB C 13 63.212 0.04 . . . . . . . . . . 6010 1 763 . 1 1 65 65 SER HB2 H 1 3.773 0.02 . . . . . . . . . . 6010 1 764 . 1 1 65 65 SER HB3 H 1 3.114 0.02 . . . . . . . . . . 6010 1 765 . 1 1 65 65 SER C C 13 176.938 0.04 . . . . . . . . . . 6010 1 766 . 1 1 66 66 LYS N N 15 126.239 0.03 . . . . . . . . . . 6010 1 767 . 1 1 66 66 LYS H H 1 8.957 0.02 . . . . . . . . . . 6010 1 768 . 1 1 66 66 LYS CA C 13 56.303 0.04 . . . . . . . . . . 6010 1 769 . 1 1 66 66 LYS HA H 1 4.465 0.02 . . . . . . . . . . 6010 1 770 . 1 1 66 66 LYS CB C 13 31.996 0.04 . . . . . . . . . . 6010 1 771 . 1 1 66 66 LYS HB2 H 1 2.068 0.02 . . . . . . . . . . 6010 1 772 . 1 1 66 66 LYS HB3 H 1 1.762 0.02 . . . . . . . . . . 6010 1 773 . 1 1 66 66 LYS CG C 13 25.599 0.04 . . . . . . . . . . 6010 1 774 . 1 1 66 66 LYS HG2 H 1 1.483 0.02 . . . . . . . . . . 6010 1 775 . 1 1 66 66 LYS CD C 13 28.670 0.04 . . . . . . . . . . 6010 1 776 . 1 1 66 66 LYS HD2 H 1 1.627 0.02 . . . . . . . . . . 6010 1 777 . 1 1 66 66 LYS CE C 13 42.487 0.04 . . . . . . . . . . 6010 1 778 . 1 1 66 66 LYS HE2 H 1 3.043 0.02 . . . . . . . . . . 6010 1 779 . 1 1 66 66 LYS C C 13 176.037 0.04 . . . . . . . . . . 6010 1 780 . 1 1 67 67 VAL N N 15 111.770 0.03 . . . . . . . . . . 6010 1 781 . 1 1 67 67 VAL H H 1 7.994 0.02 . . . . . . . . . . 6010 1 782 . 1 1 67 67 VAL CA C 13 57.327 0.04 . . . . . . . . . . 6010 1 783 . 1 1 67 67 VAL HA H 1 4.890 0.02 . . . . . . . . . . 6010 1 784 . 1 1 67 67 VAL CB C 13 31.740 0.04 . . . . . . . . . . 6010 1 785 . 1 1 67 67 VAL HB H 1 2.225 0.02 . . . . . . . . . . 6010 1 786 . 1 1 67 67 VAL HG11 H 1 0.796 0.02 . . . . . . . . . . 6010 1 787 . 1 1 67 67 VAL HG12 H 1 0.796 0.02 . . . . . . . . . . 6010 1 788 . 1 1 67 67 VAL HG13 H 1 0.796 0.02 . . . . . . . . . . 6010 1 789 . 1 1 67 67 VAL HG21 H 1 0.583 0.02 . . . . . . . . . . 6010 1 790 . 1 1 67 67 VAL HG22 H 1 0.583 0.02 . . . . . . . . . . 6010 1 791 . 1 1 67 67 VAL HG23 H 1 0.583 0.02 . . . . . . . . . . 6010 1 792 . 1 1 67 67 VAL CG1 C 13 21.250 0.04 . . . . . . . . . . 6010 1 793 . 1 1 67 67 VAL CG2 C 13 18.947 0.04 . . . . . . . . . . 6010 1 794 . 1 1 68 68 PRO CD C 13 50.674 0.04 . . . . . . . . . . 6010 1 795 . 1 1 68 68 PRO CA C 13 63.468 0.04 . . . . . . . . . . 6010 1 796 . 1 1 68 68 PRO HA H 1 4.375 0.02 . . . . . . . . . . 6010 1 797 . 1 1 68 68 PRO CB C 13 31.996 0.04 . . . . . . . . . . 6010 1 798 . 1 1 68 68 PRO HB2 H 1 2.493 0.02 . . . . . . . . . . 6010 1 799 . 1 1 68 68 PRO HB3 H 1 2.036 0.02 . . . . . . . . . . 6010 1 800 . 1 1 68 68 PRO CG C 13 27.902 0.04 . . . . . . . . . . 6010 1 801 . 1 1 68 68 PRO HG2 H 1 2.182 0.02 . . . . . . . . . . 6010 1 802 . 1 1 68 68 PRO HG3 H 1 1.972 0.02 . . . . . . . . . . 6010 1 803 . 1 1 68 68 PRO HD2 H 1 4.094 0.02 . . . . . . . . . . 6010 1 804 . 1 1 68 68 PRO HD3 H 1 3.739 0.02 . . . . . . . . . . 6010 1 805 . 1 1 68 68 PRO C C 13 174.980 0.04 . . . . . . . . . . 6010 1 806 . 1 1 69 69 LEU N N 15 122.135 0.03 . . . . . . . . . . 6010 1 807 . 1 1 69 69 LEU H H 1 8.381 0.02 . . . . . . . . . . 6010 1 808 . 1 1 69 69 LEU CA C 13 52.210 0.04 . . . . . . . . . . 6010 1 809 . 1 1 69 69 LEU HA H 1 5.449 0.02 . . . . . . . . . . 6010 1 810 . 1 1 69 69 LEU CB C 13 43.510 0.04 . . . . . . . . . . 6010 1 811 . 1 1 69 69 LEU HB2 H 1 2.062 0.02 . . . . . . . . . . 6010 1 812 . 1 1 69 69 LEU HB3 H 1 0.951 0.02 . . . . . . . . . . 6010 1 813 . 1 1 69 69 LEU CG C 13 26.111 0.04 . . . . . . . . . . 6010 1 814 . 1 1 69 69 LEU HG H 1 1.859 0.02 . . . . . . . . . . 6010 1 815 . 1 1 69 69 LEU HD11 H 1 1.069 0.02 . . . . . . . . . . 6010 1 816 . 1 1 69 69 LEU HD12 H 1 1.069 0.02 . . . . . . . . . . 6010 1 817 . 1 1 69 69 LEU HD13 H 1 1.069 0.02 . . . . . . . . . . 6010 1 818 . 1 1 69 69 LEU HD21 H 1 0.438 0.02 . . . . . . . . . . 6010 1 819 . 1 1 69 69 LEU HD22 H 1 0.438 0.02 . . . . . . . . . . 6010 1 820 . 1 1 69 69 LEU HD23 H 1 0.438 0.02 . . . . . . . . . . 6010 1 821 . 1 1 69 69 LEU CD1 C 13 27.135 0.04 . . . . . . . . . . 6010 1 822 . 1 1 69 69 LEU CD2 C 13 23.041 0.04 . . . . . . . . . . 6010 1 823 . 1 1 69 69 LEU C C 13 178.566 0.04 . . . . . . . . . . 6010 1 824 . 1 1 70 70 ILE N N 15 116.010 0.03 . . . . . . . . . . 6010 1 825 . 1 1 70 70 ILE H H 1 8.960 0.02 . . . . . . . . . . 6010 1 826 . 1 1 70 70 ILE CA C 13 58.862 0.04 . . . . . . . . . . 6010 1 827 . 1 1 70 70 ILE HA H 1 5.181 0.02 . . . . . . . . . . 6010 1 828 . 1 1 70 70 ILE CB C 13 41.719 0.04 . . . . . . . . . . 6010 1 829 . 1 1 70 70 ILE HB H 1 2.121 0.02 . . . . . . . . . . 6010 1 830 . 1 1 70 70 ILE HG21 H 1 0.897 0.02 . . . . . . . . . . 6010 1 831 . 1 1 70 70 ILE HG22 H 1 0.897 0.02 . . . . . . . . . . 6010 1 832 . 1 1 70 70 ILE HG23 H 1 0.897 0.02 . . . . . . . . . . 6010 1 833 . 1 1 70 70 ILE CG2 C 13 17.923 0.04 . . . . . . . . . . 6010 1 834 . 1 1 70 70 ILE CG1 C 13 25.088 0.04 . . . . . . . . . . 6010 1 835 . 1 1 70 70 ILE HG12 H 1 1.461 0.02 . . . . . . . . . . 6010 1 836 . 1 1 70 70 ILE HG13 H 1 0.882 0.02 . . . . . . . . . . 6010 1 837 . 1 1 70 70 ILE HD11 H 1 0.581 0.02 . . . . . . . . . . 6010 1 838 . 1 1 70 70 ILE HD12 H 1 0.581 0.02 . . . . . . . . . . 6010 1 839 . 1 1 70 70 ILE HD13 H 1 0.581 0.02 . . . . . . . . . . 6010 1 840 . 1 1 70 70 ILE CD1 C 13 13.829 0.04 . . . . . . . . . . 6010 1 841 . 1 1 70 70 ILE C C 13 175.676 0.04 . . . . . . . . . . 6010 1 842 . 1 1 71 71 THR N N 15 113.800 0.03 . . . . . . . . . . 6010 1 843 . 1 1 71 71 THR H H 1 9.106 0.02 . . . . . . . . . . 6010 1 844 . 1 1 71 71 THR CA C 13 60.142 0.04 . . . . . . . . . . 6010 1 845 . 1 1 71 71 THR HA H 1 4.643 0.02 . . . . . . . . . . 6010 1 846 . 1 1 71 71 THR CB C 13 71.400 0.04 . . . . . . . . . . 6010 1 847 . 1 1 71 71 THR HB H 1 4.934 0.02 . . . . . . . . . . 6010 1 848 . 1 1 71 71 THR HG21 H 1 1.451 0.02 . . . . . . . . . . 6010 1 849 . 1 1 71 71 THR HG22 H 1 1.451 0.02 . . . . . . . . . . 6010 1 850 . 1 1 71 71 THR HG23 H 1 1.451 0.02 . . . . . . . . . . 6010 1 851 . 1 1 71 71 THR CG2 C 13 21.761 0.04 . . . . . . . . . . 6010 1 852 . 1 1 71 71 THR C C 13 176.265 0.04 . . . . . . . . . . 6010 1 853 . 1 1 72 72 TYR N N 15 118.910 0.03 . . . . . . . . . . 6010 1 854 . 1 1 72 72 TYR H H 1 8.850 0.02 . . . . . . . . . . 6010 1 855 . 1 1 72 72 TYR CA C 13 63.212 0.04 . . . . . . . . . . 6010 1 856 . 1 1 72 72 TYR HA H 1 4.234 0.02 . . . . . . . . . . 6010 1 857 . 1 1 72 72 TYR CB C 13 36.858 0.04 . . . . . . . . . . 6010 1 858 . 1 1 72 72 TYR HB2 H 1 2.404 0.02 . . . . . . . . . . 6010 1 859 . 1 1 72 72 TYR HB3 H 1 2.294 0.02 . . . . . . . . . . 6010 1 860 . 1 1 72 72 TYR HD1 H 1 7.007 0.02 . . . . . . . . . . 6010 1 861 . 1 1 72 72 TYR HE1 H 1 6.751 0.02 . . . . . . . . . . 6010 1 862 . 1 1 72 72 TYR C C 13 178.485 0.04 . . . . . . . . . . 6010 1 863 . 1 1 73 73 SER N N 15 113.091 0.03 . . . . . . . . . . 6010 1 864 . 1 1 73 73 SER H H 1 8.237 0.02 . . . . . . . . . . 6010 1 865 . 1 1 73 73 SER CA C 13 62.444 0.04 . . . . . . . . . . 6010 1 866 . 1 1 73 73 SER HA H 1 3.992 0.02 . . . . . . . . . . 6010 1 867 . 1 1 73 73 SER CB C 13 62.188 0.04 . . . . . . . . . . 6010 1 868 . 1 1 73 73 SER HB2 H 1 4.174 0.02 . . . . . . . . . . 6010 1 869 . 1 1 73 73 SER HB3 H 1 3.990 0.02 . . . . . . . . . . 6010 1 870 . 1 1 73 73 SER C C 13 177.000 0.04 . . . . . . . . . . 6010 1 871 . 1 1 74 74 GLU N N 15 122.141 0.03 . . . . . . . . . . 6010 1 872 . 1 1 74 74 GLU H H 1 7.551 0.02 . . . . . . . . . . 6010 1 873 . 1 1 74 74 GLU CA C 13 58.862 0.04 . . . . . . . . . . 6010 1 874 . 1 1 74 74 GLU HA H 1 4.131 0.02 . . . . . . . . . . 6010 1 875 . 1 1 74 74 GLU CB C 13 30.205 0.04 . . . . . . . . . . 6010 1 876 . 1 1 74 74 GLU HB2 H 1 2.464 0.02 . . . . . . . . . . 6010 1 877 . 1 1 74 74 GLU HB3 H 1 1.938 0.02 . . . . . . . . . . 6010 1 878 . 1 1 74 74 GLU CG C 13 37.881 0.04 . . . . . . . . . . 6010 1 879 . 1 1 74 74 GLU HG2 H 1 2.385 0.02 . . . . . . . . . . 6010 1 880 . 1 1 74 74 GLU C C 13 179.141 0.04 . . . . . . . . . . 6010 1 881 . 1 1 75 75 PHE N N 15 121.238 0.03 . . . . . . . . . . 6010 1 882 . 1 1 75 75 PHE H H 1 8.432 0.02 . . . . . . . . . . 6010 1 883 . 1 1 75 75 PHE CA C 13 59.886 0.04 . . . . . . . . . . 6010 1 884 . 1 1 75 75 PHE HA H 1 4.130 0.02 . . . . . . . . . . 6010 1 885 . 1 1 75 75 PHE CB C 13 38.137 0.04 . . . . . . . . . . 6010 1 886 . 1 1 75 75 PHE HB2 H 1 3.639 0.02 . . . . . . . . . . 6010 1 887 . 1 1 75 75 PHE HB3 H 1 3.001 0.02 . . . . . . . . . . 6010 1 888 . 1 1 75 75 PHE HD1 H 1 7.191 0.02 . . . . . . . . . . 6010 1 889 . 1 1 75 75 PHE HE1 H 1 7.002 0.02 . . . . . . . . . . 6010 1 890 . 1 1 75 75 PHE HZ H 1 7.155 0.02 . . . . . . . . . . 6010 1 891 . 1 1 75 75 PHE C C 13 175.796 0.04 . . . . . . . . . . 6010 1 892 . 1 1 76 76 ILE N N 15 119.120 0.03 . . . . . . . . . . 6010 1 893 . 1 1 76 76 ILE H H 1 8.104 0.02 . . . . . . . . . . 6010 1 894 . 1 1 76 76 ILE CA C 13 63.468 0.04 . . . . . . . . . . 6010 1 895 . 1 1 76 76 ILE HA H 1 3.408 0.02 . . . . . . . . . . 6010 1 896 . 1 1 76 76 ILE CB C 13 35.834 0.04 . . . . . . . . . . 6010 1 897 . 1 1 76 76 ILE HB H 1 2.182 0.02 . . . . . . . . . . 6010 1 898 . 1 1 76 76 ILE HG21 H 1 0.911 0.02 . . . . . . . . . . 6010 1 899 . 1 1 76 76 ILE HG22 H 1 0.911 0.02 . . . . . . . . . . 6010 1 900 . 1 1 76 76 ILE HG23 H 1 0.911 0.02 . . . . . . . . . . 6010 1 901 . 1 1 76 76 ILE CG2 C 13 17.923 0.04 . . . . . . . . . . 6010 1 902 . 1 1 76 76 ILE CG1 C 13 28.670 0.04 . . . . . . . . . . 6010 1 903 . 1 1 76 76 ILE HG12 H 1 1.752 0.02 . . . . . . . . . . 6010 1 904 . 1 1 76 76 ILE HG13 H 1 1.584 0.02 . . . . . . . . . . 6010 1 905 . 1 1 76 76 ILE HD11 H 1 0.765 0.02 . . . . . . . . . . 6010 1 906 . 1 1 76 76 ILE HD12 H 1 0.765 0.02 . . . . . . . . . . 6010 1 907 . 1 1 76 76 ILE HD13 H 1 0.765 0.02 . . . . . . . . . . 6010 1 908 . 1 1 76 76 ILE CD1 C 13 11.271 0.04 . . . . . . . . . . 6010 1 909 . 1 1 76 76 ILE C C 13 177.977 0.04 . . . . . . . . . . 6010 1 910 . 1 1 77 77 ASP N N 15 119.562 0.03 . . . . . . . . . . 6010 1 911 . 1 1 77 77 ASP H H 1 7.438 0.02 . . . . . . . . . . 6010 1 912 . 1 1 77 77 ASP CA C 13 57.327 0.04 . . . . . . . . . . 6010 1 913 . 1 1 77 77 ASP HA H 1 4.422 0.02 . . . . . . . . . . 6010 1 914 . 1 1 77 77 ASP CB C 13 40.184 0.04 . . . . . . . . . . 6010 1 915 . 1 1 77 77 ASP HB2 H 1 2.812 0.02 . . . . . . . . . . 6010 1 916 . 1 1 77 77 ASP HB3 H 1 2.680 0.02 . . . . . . . . . . 6010 1 917 . 1 1 77 77 ASP C C 13 178.980 0.04 . . . . . . . . . . 6010 1 918 . 1 1 78 78 LEU N N 15 120.510 0.03 . . . . . . . . . . 6010 1 919 . 1 1 78 78 LEU H H 1 7.712 0.02 . . . . . . . . . . 6010 1 920 . 1 1 78 78 LEU CA C 13 57.071 0.04 . . . . . . . . . . 6010 1 921 . 1 1 78 78 LEU HA H 1 4.070 0.02 . . . . . . . . . . 6010 1 922 . 1 1 78 78 LEU CB C 13 41.975 0.04 . . . . . . . . . . 6010 1 923 . 1 1 78 78 LEU HB2 H 1 1.874 0.02 . . . . . . . . . . 6010 1 924 . 1 1 78 78 LEU HB3 H 1 1.319 0.02 . . . . . . . . . . 6010 1 925 . 1 1 78 78 LEU CG C 13 26.111 0.04 . . . . . . . . . . 6010 1 926 . 1 1 78 78 LEU HG H 1 1.681 0.02 . . . . . . . . . . 6010 1 927 . 1 1 78 78 LEU HD11 H 1 0.592 0.02 . . . . . . . . . . 6010 1 928 . 1 1 78 78 LEU HD12 H 1 0.592 0.02 . . . . . . . . . . 6010 1 929 . 1 1 78 78 LEU HD13 H 1 0.592 0.02 . . . . . . . . . . 6010 1 930 . 1 1 78 78 LEU HD21 H 1 0.368 0.02 . . . . . . . . . . 6010 1 931 . 1 1 78 78 LEU HD22 H 1 0.368 0.02 . . . . . . . . . . 6010 1 932 . 1 1 78 78 LEU HD23 H 1 0.368 0.02 . . . . . . . . . . 6010 1 933 . 1 1 78 78 LEU CD1 C 13 23.297 0.04 . . . . . . . . . . 6010 1 934 . 1 1 78 78 LEU CD2 C 13 25.599 0.04 . . . . . . . . . . 6010 1 935 . 1 1 78 78 LEU C C 13 178.646 0.04 . . . . . . . . . . 6010 1 936 . 1 1 79 79 LEU N N 15 118.818 0.03 . . . . . . . . . . 6010 1 937 . 1 1 79 79 LEU H H 1 7.734 0.02 . . . . . . . . . . 6010 1 938 . 1 1 79 79 LEU CA C 13 56.815 0.04 . . . . . . . . . . 6010 1 939 . 1 1 79 79 LEU HA H 1 3.812 0.02 . . . . . . . . . . 6010 1 940 . 1 1 79 79 LEU CB C 13 41.463 0.04 . . . . . . . . . . 6010 1 941 . 1 1 79 79 LEU HB2 H 1 1.526 0.02 . . . . . . . . . . 6010 1 942 . 1 1 79 79 LEU HB3 H 1 1.359 0.02 . . . . . . . . . . 6010 1 943 . 1 1 79 79 LEU CG C 13 25.855 0.04 . . . . . . . . . . 6010 1 944 . 1 1 79 79 LEU HG H 1 1.412 0.02 . . . . . . . . . . 6010 1 945 . 1 1 79 79 LEU HD11 H 1 0.508 0.02 . . . . . . . . . . 6010 1 946 . 1 1 79 79 LEU HD12 H 1 0.508 0.02 . . . . . . . . . . 6010 1 947 . 1 1 79 79 LEU HD13 H 1 0.508 0.02 . . . . . . . . . . 6010 1 948 . 1 1 79 79 LEU HD21 H 1 0.584 0.02 . . . . . . . . . . 6010 1 949 . 1 1 79 79 LEU HD22 H 1 0.584 0.02 . . . . . . . . . . 6010 1 950 . 1 1 79 79 LEU HD23 H 1 0.584 0.02 . . . . . . . . . . 6010 1 951 . 1 1 79 79 LEU CD1 C 13 23.808 0.04 . . . . . . . . . . 6010 1 952 . 1 1 79 79 LEU CD2 C 13 25.343 0.04 . . . . . . . . . . 6010 1 953 . 1 1 79 79 LEU C C 13 178.017 0.04 . . . . . . . . . . 6010 1 954 . 1 1 80 80 GLU N N 15 117.572 0.03 . . . . . . . . . . 6010 1 955 . 1 1 80 80 GLU H H 1 7.920 0.02 . . . . . . . . . . 6010 1 956 . 1 1 80 80 GLU CA C 13 58.350 0.04 . . . . . . . . . . 6010 1 957 . 1 1 80 80 GLU HA H 1 4.129 0.02 . . . . . . . . . . 6010 1 958 . 1 1 80 80 GLU CB C 13 29.693 0.04 . . . . . . . . . . 6010 1 959 . 1 1 80 80 GLU HB2 H 1 2.134 0.02 . . . . . . . . . . 6010 1 960 . 1 1 80 80 GLU CG C 13 36.346 0.04 . . . . . . . . . . 6010 1 961 . 1 1 80 80 GLU HG2 H 1 2.429 0.02 . . . . . . . . . . 6010 1 962 . 1 1 80 80 GLU HG3 H 1 2.289 0.02 . . . . . . . . . . 6010 1 963 . 1 1 80 80 GLU C C 13 177.562 0.04 . . . . . . . . . . 6010 1 964 . 1 1 81 81 GLY N N 15 107.945 0.03 . . . . . . . . . . 6010 1 965 . 1 1 81 81 GLY H H 1 8.112 0.02 . . . . . . . . . . 6010 1 966 . 1 1 81 81 GLY CA C 13 45.557 0.04 . . . . . . . . . . 6010 1 967 . 1 1 81 81 GLY HA2 H 1 4.079 0.02 . . . . . . . . . . 6010 1 968 . 1 1 81 81 GLY C C 13 174.472 0.04 . . . . . . . . . . 6010 1 969 . 1 1 82 82 GLU N N 15 119.850 0.03 . . . . . . . . . . 6010 1 970 . 1 1 82 82 GLU H H 1 7.882 0.02 . . . . . . . . . . 6010 1 971 . 1 1 82 82 GLU CA C 13 55.536 0.04 . . . . . . . . . . 6010 1 972 . 1 1 82 82 GLU HA H 1 4.542 0.02 . . . . . . . . . . 6010 1 973 . 1 1 82 82 GLU CB C 13 30.717 0.04 . . . . . . . . . . 6010 1 974 . 1 1 82 82 GLU HB2 H 1 2.254 0.02 . . . . . . . . . . 6010 1 975 . 1 1 82 82 GLU HB3 H 1 2.057 0.02 . . . . . . . . . . 6010 1 976 . 1 1 82 82 GLU CG C 13 36.090 0.04 . . . . . . . . . . 6010 1 977 . 1 1 82 82 GLU HG2 H 1 2.342 0.02 . . . . . . . . . . 6010 1 978 . 1 1 82 82 GLU C C 13 176.224 0.04 . . . . . . . . . . 6010 1 979 . 1 1 83 83 GLU N N 15 120.282 0.03 . . . . . . . . . . 6010 1 980 . 1 1 83 83 GLU H H 1 8.518 0.02 . . . . . . . . . . 6010 1 981 . 1 1 83 83 GLU CA C 13 56.815 0.04 . . . . . . . . . . 6010 1 982 . 1 1 83 83 GLU HA H 1 4.411 0.02 . . . . . . . . . . 6010 1 983 . 1 1 83 83 GLU CB C 13 30.717 0.04 . . . . . . . . . . 6010 1 984 . 1 1 83 83 GLU HB2 H 1 2.166 0.02 . . . . . . . . . . 6010 1 985 . 1 1 83 83 GLU HB3 H 1 2.100 0.02 . . . . . . . . . . 6010 1 986 . 1 1 83 83 GLU CG C 13 36.090 0.04 . . . . . . . . . . 6010 1 987 . 1 1 83 83 GLU HG2 H 1 2.354 0.02 . . . . . . . . . . 6010 1 988 . 1 1 83 83 GLU C C 13 175.917 0.04 . . . . . . . . . . 6010 1 989 . 1 1 84 84 LYS N N 15 119.950 0.03 . . . . . . . . . . 6010 1 990 . 1 1 84 84 LYS H H 1 8.199 0.02 . . . . . . . . . . 6010 1 991 . 1 1 84 84 LYS CA C 13 55.536 0.04 . . . . . . . . . . 6010 1 992 . 1 1 84 84 LYS HA H 1 4.593 0.02 . . . . . . . . . . 6010 1 993 . 1 1 84 84 LYS CB C 13 33.787 0.04 . . . . . . . . . . 6010 1 994 . 1 1 84 84 LYS HB2 H 1 1.822 0.02 . . . . . . . . . . 6010 1 995 . 1 1 84 84 LYS CG C 13 24.576 0.04 . . . . . . . . . . 6010 1 996 . 1 1 84 84 LYS HG2 H 1 1.448 0.02 . . . . . . . . . . 6010 1 997 . 1 1 84 84 LYS CD C 13 28.926 0.04 . . . . . . . . . . 6010 1 998 . 1 1 84 84 LYS HD2 H 1 1.766 0.02 . . . . . . . . . . 6010 1 999 . 1 1 84 84 LYS CE C 13 41.975 0.04 . . . . . . . . . . 6010 1 1000 . 1 1 84 84 LYS HE2 H 1 3.064 0.02 . . . . . . . . . . 6010 1 1001 . 1 1 84 84 LYS C C 13 175.127 0.04 . . . . . . . . . . 6010 1 1002 . 1 1 85 85 PHE N N 15 121.683 0.03 . . . . . . . . . . 6010 1 1003 . 1 1 85 85 PHE H H 1 8.330 0.02 . . . . . . . . . . 6010 1 1004 . 1 1 85 85 PHE CA C 13 56.815 0.04 . . . . . . . . . . 6010 1 1005 . 1 1 85 85 PHE HA H 1 5.168 0.02 . . . . . . . . . . 6010 1 1006 . 1 1 85 85 PHE CB C 13 40.440 0.04 . . . . . . . . . . 6010 1 1007 . 1 1 85 85 PHE HB2 H 1 3.119 0.02 . . . . . . . . . . 6010 1 1008 . 1 1 85 85 PHE HD1 H 1 7.251 0.02 . . . . . . . . . . 6010 1 1009 . 1 1 85 85 PHE C C 13 174.873 0.04 . . . . . . . . . . 6010 1 1010 . 1 1 86 86 ILE N N 15 123.762 0.03 . . . . . . . . . . 6010 1 1011 . 1 1 86 86 ILE H H 1 8.430 0.02 . . . . . . . . . . 6010 1 1012 . 1 1 86 86 ILE CA C 13 60.653 0.04 . . . . . . . . . . 6010 1 1013 . 1 1 86 86 ILE HA H 1 4.363 0.02 . . . . . . . . . . 6010 1 1014 . 1 1 86 86 ILE CB C 13 39.160 0.04 . . . . . . . . . . 6010 1 1015 . 1 1 86 86 ILE HB H 1 1.964 0.02 . . . . . . . . . . 6010 1 1016 . 1 1 86 86 ILE HG21 H 1 1.020 0.02 . . . . . . . . . . 6010 1 1017 . 1 1 86 86 ILE HG22 H 1 1.020 0.02 . . . . . . . . . . 6010 1 1018 . 1 1 86 86 ILE HG23 H 1 1.020 0.02 . . . . . . . . . . 6010 1 1019 . 1 1 86 86 ILE CG2 C 13 17.412 0.04 . . . . . . . . . . 6010 1 1020 . 1 1 86 86 ILE CG1 C 13 27.135 0.04 . . . . . . . . . . 6010 1 1021 . 1 1 86 86 ILE HG12 H 1 1.513 0.02 . . . . . . . . . . 6010 1 1022 . 1 1 86 86 ILE HG13 H 1 1.219 0.02 . . . . . . . . . . 6010 1 1023 . 1 1 86 86 ILE HD11 H 1 0.904 0.02 . . . . . . . . . . 6010 1 1024 . 1 1 86 86 ILE HD12 H 1 0.904 0.02 . . . . . . . . . . 6010 1 1025 . 1 1 86 86 ILE HD13 H 1 0.904 0.02 . . . . . . . . . . 6010 1 1026 . 1 1 86 86 ILE CD1 C 13 13.062 0.04 . . . . . . . . . . 6010 1 1027 . 1 1 86 86 ILE C C 13 174.539 0.04 . . . . . . . . . . 6010 1 1028 . 1 1 87 87 GLY N N 15 118.376 0.03 . . . . . . . . . . 6010 1 1029 . 1 1 87 87 GLY H H 1 7.846 0.02 . . . . . . . . . . 6010 1 1030 . 1 1 87 87 GLY CA C 13 46.069 0.04 . . . . . . . . . . 6010 1 1031 . 1 1 87 87 GLY HA2 H 1 4.007 0.02 . . . . . . . . . . 6010 1 1032 . 1 1 87 87 GLY HA3 H 1 3.798 0.02 . . . . . . . . . . 6010 1 stop_ save_