data_18589 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18589 _Entry.Title ; NMR solution structure of Cbp2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-07-11 _Entry.Accession_date 2012-07-11 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 Chandra Kenchappa . S. . 18589 2 Petur Heidarsson . O. . 18589 3 Roger Garrett . A. . 18589 4 Flemming Poulsen . M. . 18589 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18589 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein . 18589 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18589 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 395 18589 '15N chemical shifts' 89 18589 '1H chemical shifts' 589 18589 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-02-19 2012-07-11 update BMRB 'update entry citation' 18589 1 . . 2013-01-16 2012-07-11 original author 'original release' 18589 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LVS 'BMRB Entry Tracking System' 18589 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 18589 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23325851 _Citation.Full_citation . _Citation.Title 'Solution properties of the archaeal CRISPR DNA repeat-binding homeodomain protein Cbp2.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 41 _Citation.Journal_issue 5 _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 3424 _Citation.Page_last 3435 _Citation.Year 2013 _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 Chandra Kenchappa . S. . 18589 1 2 Petur Heidarsson . O. . 18589 1 3 Birthe Kragelund . B. . 18589 1 4 Roger Garrett . A. . 18589 1 5 Flemming Poulsen . M. . 18589 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18589 _Assembly.ID 1 _Assembly.Name Cbp2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Cbp2 1 $Cbp2 A . yes native no no . . . 18589 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Cbp2 _Entity.Sf_category entity _Entity.Sf_framecode Cbp2 _Entity.Entry_ID 18589 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Cbp2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MPSVNDSLDIVEKLYKDGVP VKEIAKRSNNSMSTVYKALE KLEAMGRIKRRKGRYRQHRR LTEEELATIRELYLKGATVY EIARQLGRPESTIYYALKKL GLKLE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12415 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LVS . "Nmr Solution Structure Of A Crispr Repeat Binding Protein" . . . . . 100.00 105 100.00 100.00 1.21e-66 . . . . 18589 1 2 no GB ABM80833 . "hypothetical protein Hbut_0986 [Hyperthermus butylicus DSM 5456]" . . . . . 98.10 103 97.09 97.09 3.43e-63 . . . . 18589 1 3 no REF WP_011822151 . "hypothetical protein [Hyperthermus butylicus]" . . . . . 98.10 103 97.09 97.09 3.43e-63 . . . . 18589 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 . 18589 1 2 . PRO . 18589 1 3 . SER . 18589 1 4 . VAL . 18589 1 5 . ASN . 18589 1 6 . ASP . 18589 1 7 . SER . 18589 1 8 . LEU . 18589 1 9 . ASP . 18589 1 10 . ILE . 18589 1 11 . VAL . 18589 1 12 . GLU . 18589 1 13 . LYS . 18589 1 14 . LEU . 18589 1 15 . TYR . 18589 1 16 . LYS . 18589 1 17 . ASP . 18589 1 18 . GLY . 18589 1 19 . VAL . 18589 1 20 . PRO . 18589 1 21 . VAL . 18589 1 22 . LYS . 18589 1 23 . GLU . 18589 1 24 . ILE . 18589 1 25 . ALA . 18589 1 26 . LYS . 18589 1 27 . ARG . 18589 1 28 . SER . 18589 1 29 . ASN . 18589 1 30 . ASN . 18589 1 31 . SER . 18589 1 32 . MET . 18589 1 33 . SER . 18589 1 34 . THR . 18589 1 35 . VAL . 18589 1 36 . TYR . 18589 1 37 . LYS . 18589 1 38 . ALA . 18589 1 39 . LEU . 18589 1 40 . GLU . 18589 1 41 . LYS . 18589 1 42 . LEU . 18589 1 43 . GLU . 18589 1 44 . ALA . 18589 1 45 . MET . 18589 1 46 . GLY . 18589 1 47 . ARG . 18589 1 48 . ILE . 18589 1 49 . LYS . 18589 1 50 . ARG . 18589 1 51 . ARG . 18589 1 52 . LYS . 18589 1 53 . GLY . 18589 1 54 . ARG . 18589 1 55 . TYR . 18589 1 56 . ARG . 18589 1 57 . GLN . 18589 1 58 . HIS . 18589 1 59 . ARG . 18589 1 60 . ARG . 18589 1 61 . LEU . 18589 1 62 . THR . 18589 1 63 . GLU . 18589 1 64 . GLU . 18589 1 65 . GLU . 18589 1 66 . LEU . 18589 1 67 . ALA . 18589 1 68 . THR . 18589 1 69 . ILE . 18589 1 70 . ARG . 18589 1 71 . GLU . 18589 1 72 . LEU . 18589 1 73 . TYR . 18589 1 74 . LEU . 18589 1 75 . LYS . 18589 1 76 . GLY . 18589 1 77 . ALA . 18589 1 78 . THR . 18589 1 79 . VAL . 18589 1 80 . TYR . 18589 1 81 . GLU . 18589 1 82 . ILE . 18589 1 83 . ALA . 18589 1 84 . ARG . 18589 1 85 . GLN . 18589 1 86 . LEU . 18589 1 87 . GLY . 18589 1 88 . ARG . 18589 1 89 . PRO . 18589 1 90 . GLU . 18589 1 91 . SER . 18589 1 92 . THR . 18589 1 93 . ILE . 18589 1 94 . TYR . 18589 1 95 . TYR . 18589 1 96 . ALA . 18589 1 97 . LEU . 18589 1 98 . LYS . 18589 1 99 . LYS . 18589 1 100 . LEU . 18589 1 101 . GLY . 18589 1 102 . LEU . 18589 1 103 . LYS . 18589 1 104 . LEU . 18589 1 105 . GLU . 18589 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 18589 1 . PRO 2 2 18589 1 . SER 3 3 18589 1 . VAL 4 4 18589 1 . ASN 5 5 18589 1 . ASP 6 6 18589 1 . SER 7 7 18589 1 . LEU 8 8 18589 1 . ASP 9 9 18589 1 . ILE 10 10 18589 1 . VAL 11 11 18589 1 . GLU 12 12 18589 1 . LYS 13 13 18589 1 . LEU 14 14 18589 1 . TYR 15 15 18589 1 . LYS 16 16 18589 1 . ASP 17 17 18589 1 . GLY 18 18 18589 1 . VAL 19 19 18589 1 . PRO 20 20 18589 1 . VAL 21 21 18589 1 . LYS 22 22 18589 1 . GLU 23 23 18589 1 . ILE 24 24 18589 1 . ALA 25 25 18589 1 . LYS 26 26 18589 1 . ARG 27 27 18589 1 . SER 28 28 18589 1 . ASN 29 29 18589 1 . ASN 30 30 18589 1 . SER 31 31 18589 1 . MET 32 32 18589 1 . SER 33 33 18589 1 . THR 34 34 18589 1 . VAL 35 35 18589 1 . TYR 36 36 18589 1 . LYS 37 37 18589 1 . ALA 38 38 18589 1 . LEU 39 39 18589 1 . GLU 40 40 18589 1 . LYS 41 41 18589 1 . LEU 42 42 18589 1 . GLU 43 43 18589 1 . ALA 44 44 18589 1 . MET 45 45 18589 1 . GLY 46 46 18589 1 . ARG 47 47 18589 1 . ILE 48 48 18589 1 . LYS 49 49 18589 1 . ARG 50 50 18589 1 . ARG 51 51 18589 1 . LYS 52 52 18589 1 . GLY 53 53 18589 1 . ARG 54 54 18589 1 . TYR 55 55 18589 1 . ARG 56 56 18589 1 . GLN 57 57 18589 1 . HIS 58 58 18589 1 . ARG 59 59 18589 1 . ARG 60 60 18589 1 . LEU 61 61 18589 1 . THR 62 62 18589 1 . GLU 63 63 18589 1 . GLU 64 64 18589 1 . GLU 65 65 18589 1 . LEU 66 66 18589 1 . ALA 67 67 18589 1 . THR 68 68 18589 1 . ILE 69 69 18589 1 . ARG 70 70 18589 1 . GLU 71 71 18589 1 . LEU 72 72 18589 1 . TYR 73 73 18589 1 . LEU 74 74 18589 1 . LYS 75 75 18589 1 . GLY 76 76 18589 1 . ALA 77 77 18589 1 . THR 78 78 18589 1 . VAL 79 79 18589 1 . TYR 80 80 18589 1 . GLU 81 81 18589 1 . ILE 82 82 18589 1 . ALA 83 83 18589 1 . ARG 84 84 18589 1 . GLN 85 85 18589 1 . LEU 86 86 18589 1 . GLY 87 87 18589 1 . ARG 88 88 18589 1 . PRO 89 89 18589 1 . GLU 90 90 18589 1 . SER 91 91 18589 1 . THR 92 92 18589 1 . ILE 93 93 18589 1 . TYR 94 94 18589 1 . TYR 95 95 18589 1 . ALA 96 96 18589 1 . LEU 97 97 18589 1 . LYS 98 98 18589 1 . LYS 99 99 18589 1 . LEU 100 100 18589 1 . GLY 101 101 18589 1 . LEU 102 102 18589 1 . LYS 103 103 18589 1 . LEU 104 104 18589 1 . GLU 105 105 18589 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 18589 _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 $Cbp2 . 54248 organism . 'Hyperthermus butylicus' 'Hyperthermus butylicus' . . Archaea . Hyperthermus butylicus . . . . . . . . . . . . . . . . . . . . . 18589 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 18589 _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 $Cbp2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28a . . . . . . 18589 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18589 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Cbp2 '[U-100% 13C; U-100% 15N]' . . 1 $Cbp2 . . 0.5-1 . . mM . . . . 18589 1 2 'potassium chloride' none . . . . . . 10 . . mM . . . . 18589 1 3 'potassium dihydrogen phosphate' none . . . . . . 20 . . mM . . . . 18589 1 4 'sodium azide' none . . . . . . 0.02 . . % . . . . 18589 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18589 _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 6.5 . pH 18589 1 pressure 1 . atm 18589 1 temperature 298 . K 18589 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18589 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18589 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18589 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18589 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18589 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18589 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18589 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18589 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18589 3 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18589 _Software.ID 4 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18589 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18589 4 stop_ save_ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 18589 _Software.ID 5 _Software.Name CCPN_Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18589 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18589 5 'peak picking' 18589 5 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 18589 _Software.ID 6 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 18589 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18589 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18589 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18589 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18589 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 750 . . . 18589 1 2 spectrometer_2 Varian INOVA . 800 . . . 18589 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 18589 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18589 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18589 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18589 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18589 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18589 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18589 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18589 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18589 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18589 1 10 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18589 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18589 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18589 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18589 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18589 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18589 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18589 1 2 '3D CBCA(CO)NH' . . . 18589 1 3 '3D HNCO' . . . 18589 1 4 '3D HNCA' . . . 18589 1 5 '3D HNCACB' . . . 18589 1 6 '3D HN(CO)CA' . . . 18589 1 7 '3D HCCH-TOCSY' . . . 18589 1 10 '3D HN(COCA)CB' . . . 18589 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 PRO HA H 1 4.4344 0.002 . 1 . . . . 2 PRO HA . 18589 1 2 . 1 1 2 2 PRO HB2 H 1 2.3008 0.003 . 2 . . . . 2 PRO HB1|HB2 . 18589 1 3 . 1 1 2 2 PRO HB3 H 1 1.9109 0.003 . 2 . . . . 2 PRO HB2|HB1 . 18589 1 4 . 1 1 2 2 PRO HG2 H 1 1.9967 0.004 . 2 . . . . 2 PRO HG1|HG2 . 18589 1 5 . 1 1 2 2 PRO HG3 H 1 2.0465 0.004 . 2 . . . . 2 PRO HG2|HG1 . 18589 1 6 . 1 1 2 2 PRO HD2 H 1 3.836 0.003 . 2 . . . . 2 PRO HD1|HD2 . 18589 1 7 . 1 1 2 2 PRO HD3 H 1 3.656 0.004 . 2 . . . . 2 PRO HD2|HD1 . 18589 1 8 . 1 1 2 2 PRO C C 13 176.8861 0 . 1 . . . . 2 PRO C . 18589 1 9 . 1 1 2 2 PRO CA C 13 63.4062 0.01 . 1 . . . . 2 PRO CA . 18589 1 10 . 1 1 2 2 PRO CB C 13 32.1634 0.011 . 1 . . . . 2 PRO CB . 18589 1 11 . 1 1 2 2 PRO CG C 13 27.475 0.013 . 1 . . . . 2 PRO CG . 18589 1 12 . 1 1 2 2 PRO CD C 13 50.6124 0.03 . 1 . . . . 2 PRO CD . 18589 1 13 . 1 1 3 3 SER H H 1 8.4935 0.001 . 1 . . . . 3 SER HN . 18589 1 14 . 1 1 3 3 SER C C 13 175.6492 0 . 1 . . . . 3 SER C . 18589 1 15 . 1 1 3 3 SER CA C 13 57.9798 0 . 1 . . . . 3 SER CA . 18589 1 16 . 1 1 3 3 SER CB C 13 64.138 0 . 1 . . . . 3 SER CB . 18589 1 17 . 1 1 3 3 SER N N 15 115.8258 0.006 . 1 . . . . 3 SER N . 18589 1 18 . 1 1 4 4 VAL HA H 1 3.8757 0.004 . 1 . . . . 4 VAL HA . 18589 1 19 . 1 1 4 4 VAL HB H 1 2.0891 0.003 . 1 . . . . 4 VAL HB . 18589 1 20 . 1 1 4 4 VAL HG11 H 1 0.8633 0.001 . 2 . . . . 4 VAL HG1#|HG2# . 18589 1 21 . 1 1 4 4 VAL HG12 H 1 0.8633 0.001 . 2 . . . . 4 VAL HG1#|HG2# . 18589 1 22 . 1 1 4 4 VAL HG13 H 1 0.8633 0.001 . 2 . . . . 4 VAL HG1#|HG2# . 18589 1 23 . 1 1 4 4 VAL HG21 H 1 0.9745 0.003 . 2 . . . . 4 VAL HG2#|HG1# . 18589 1 24 . 1 1 4 4 VAL HG22 H 1 0.9745 0.003 . 2 . . . . 4 VAL HG2#|HG1# . 18589 1 25 . 1 1 4 4 VAL HG23 H 1 0.9745 0.003 . 2 . . . . 4 VAL HG2#|HG1# . 18589 1 26 . 1 1 4 4 VAL C C 13 176.8174 0 . 1 . . . . 4 VAL C . 18589 1 27 . 1 1 4 4 VAL CA C 13 64.3247 0.047 . 1 . . . . 4 VAL CA . 18589 1 28 . 1 1 4 4 VAL CB C 13 32.1853 0.053 . 1 . . . . 4 VAL CB . 18589 1 29 . 1 1 4 4 VAL CG1 C 13 20.8993 0.017 . 2 . . . . 4 VAL CG1|CG2 . 18589 1 30 . 1 1 4 4 VAL CG2 C 13 21.5453 0.024 . 2 . . . . 4 VAL CG2|CG1 . 18589 1 31 . 1 1 5 5 ASN H H 1 8.3628 0.001 . 1 . . . . 5 ASN HN . 18589 1 32 . 1 1 5 5 ASN HA H 1 4.5169 0.005 . 1 . . . . 5 ASN HA . 18589 1 33 . 1 1 5 5 ASN HB2 H 1 2.8259 0.004 . 2 . . . . 5 ASN HB1|HB2 . 18589 1 34 . 1 1 5 5 ASN HB3 H 1 2.7012 0.003 . 2 . . . . 5 ASN HB2|HB1 . 18589 1 35 . 1 1 5 5 ASN C C 13 176.462 0.024 . 1 . . . . 5 ASN C . 18589 1 36 . 1 1 5 5 ASN CA C 13 54.8788 0.09 . 1 . . . . 5 ASN CA . 18589 1 37 . 1 1 5 5 ASN CB C 13 38.4091 0.019 . 1 . . . . 5 ASN CB . 18589 1 38 . 1 1 5 5 ASN N N 15 119.8312 0.015 . 1 . . . . 5 ASN N . 18589 1 39 . 1 1 6 6 ASP H H 1 8.1976 0.013 . 1 . . . . 6 ASP HN . 18589 1 40 . 1 1 6 6 ASP HA H 1 3.863 0.003 . 1 . . . . 6 ASP HA . 18589 1 41 . 1 1 6 6 ASP HB2 H 1 2.2046 0 . 2 . . . . 6 ASP HB1|HB2 . 18589 1 42 . 1 1 6 6 ASP HB3 H 1 1.9357 0 . 2 . . . . 6 ASP HB2|HB1 . 18589 1 43 . 1 1 6 6 ASP C C 13 177.0785 0.002 . 1 . . . . 6 ASP C . 18589 1 44 . 1 1 6 6 ASP CA C 13 55.6072 0.004 . 1 . . . . 6 ASP CA . 18589 1 45 . 1 1 6 6 ASP CB C 13 40.9859 0.01 . 1 . . . . 6 ASP CB . 18589 1 46 . 1 1 6 6 ASP N N 15 119.8927 0.01 . 1 . . . . 6 ASP N . 18589 1 47 . 1 1 7 7 SER H H 1 8.0451 0.001 . 1 . . . . 7 SER HN . 18589 1 48 . 1 1 7 7 SER HA H 1 4.4707 0.001 . 1 . . . . 7 SER HA . 18589 1 49 . 1 1 7 7 SER HB2 H 1 3.8083 0.002 . 2 . . . . 7 SER HB1|HB2 . 18589 1 50 . 1 1 7 7 SER HB3 H 1 3.9525 0 . 2 . . . . 7 SER HB2|HB1 . 18589 1 51 . 1 1 7 7 SER C C 13 174.6085 0.006 . 1 . . . . 7 SER C . 18589 1 52 . 1 1 7 7 SER CA C 13 59.9487 0.057 . 1 . . . . 7 SER CA . 18589 1 53 . 1 1 7 7 SER CB C 13 63.7213 0.016 . 1 . . . . 7 SER CB . 18589 1 54 . 1 1 7 7 SER N N 15 114.3306 0.008 . 1 . . . . 7 SER N . 18589 1 55 . 1 1 8 8 LEU H H 1 7.6197 0.001 . 1 . . . . 8 LEU HN . 18589 1 56 . 1 1 8 8 LEU HA H 1 3.7805 0.005 . 1 . . . . 8 LEU HA . 18589 1 57 . 1 1 8 8 LEU HB2 H 1 1.4468 0.005 . 2 . . . . 8 LEU HB1|HB2 . 18589 1 58 . 1 1 8 8 LEU HB3 H 1 1.857 0.009 . 2 . . . . 8 LEU HB2|HB1 . 18589 1 59 . 1 1 8 8 LEU HG H 1 1.9278 0.004 . 1 . . . . 8 LEU HG . 18589 1 60 . 1 1 8 8 LEU HD11 H 1 0.7736 0.005 . 2 . . . . 8 LEU HD1#|HD2# . 18589 1 61 . 1 1 8 8 LEU HD12 H 1 0.7736 0.005 . 2 . . . . 8 LEU HD1#|HD2# . 18589 1 62 . 1 1 8 8 LEU HD13 H 1 0.7736 0.005 . 2 . . . . 8 LEU HD1#|HD2# . 18589 1 63 . 1 1 8 8 LEU HD21 H 1 0.8862 0.004 . 2 . . . . 8 LEU HD2#|HD1# . 18589 1 64 . 1 1 8 8 LEU HD22 H 1 0.8862 0.004 . 2 . . . . 8 LEU HD2#|HD1# . 18589 1 65 . 1 1 8 8 LEU HD23 H 1 0.8862 0.004 . 2 . . . . 8 LEU HD2#|HD1# . 18589 1 66 . 1 1 8 8 LEU C C 13 177.971 0.01 . 1 . . . . 8 LEU C . 18589 1 67 . 1 1 8 8 LEU CA C 13 58.728 0.012 . 1 . . . . 8 LEU CA . 18589 1 68 . 1 1 8 8 LEU CB C 13 41.5195 0.032 . 1 . . . . 8 LEU CB . 18589 1 69 . 1 1 8 8 LEU CG C 13 26.5333 0 . 1 . . . . 8 LEU CG . 18589 1 70 . 1 1 8 8 LEU CD1 C 13 23.4081 0 . 2 . . . . 8 LEU CD1|CD2 . 18589 1 71 . 1 1 8 8 LEU CD2 C 13 25.5958 0 . 2 . . . . 8 LEU CD2|CD1 . 18589 1 72 . 1 1 8 8 LEU N N 15 120.3367 0.008 . 1 . . . . 8 LEU N . 18589 1 73 . 1 1 9 9 ASP H H 1 8.1716 0.002 . 1 . . . . 9 ASP HN . 18589 1 74 . 1 1 9 9 ASP HA H 1 4.1993 0.004 . 1 . . . . 9 ASP HA . 18589 1 75 . 1 1 9 9 ASP HB2 H 1 2.6093 0.006 . 2 . . . . 9 ASP HB1|HB2 . 18589 1 76 . 1 1 9 9 ASP HB3 H 1 2.6999 0.005 . 2 . . . . 9 ASP HB2|HB1 . 18589 1 77 . 1 1 9 9 ASP C C 13 179.0591 0.042 . 1 . . . . 9 ASP C . 18589 1 78 . 1 1 9 9 ASP CA C 13 57.7956 0.036 . 1 . . . . 9 ASP CA . 18589 1 79 . 1 1 9 9 ASP CB C 13 39.9782 0.01 . 1 . . . . 9 ASP CB . 18589 1 80 . 1 1 9 9 ASP N N 15 116.9232 0.04 . 1 . . . . 9 ASP N . 18589 1 81 . 1 1 10 10 ILE H H 1 8.0392 0 . 1 . . . . 10 ILE HN . 18589 1 82 . 1 1 10 10 ILE HA H 1 4.0532 0.003 . 1 . . . . 10 ILE HA . 18589 1 83 . 1 1 10 10 ILE HB H 1 1.8623 0.002 . 1 . . . . 10 ILE HB . 18589 1 84 . 1 1 10 10 ILE HG12 H 1 1.4642 0.004 . 2 . . . . 10 ILE HG12 . 18589 1 85 . 1 1 10 10 ILE HG13 H 1 1.2195 0.004 . 2 . . . . 10 ILE HG13 . 18589 1 86 . 1 1 10 10 ILE HG21 H 1 0.9499 0.003 . 2 . . . . 10 ILE HG2# . 18589 1 87 . 1 1 10 10 ILE HG22 H 1 0.9499 0.003 . 2 . . . . 10 ILE HG2# . 18589 1 88 . 1 1 10 10 ILE HG23 H 1 0.9499 0.003 . 2 . . . . 10 ILE HG2# . 18589 1 89 . 1 1 10 10 ILE HD11 H 1 0.8674 0.005 . 2 . . . . 10 ILE HD1# . 18589 1 90 . 1 1 10 10 ILE HD12 H 1 0.8674 0.005 . 2 . . . . 10 ILE HD1# . 18589 1 91 . 1 1 10 10 ILE HD13 H 1 0.8674 0.005 . 2 . . . . 10 ILE HD1# . 18589 1 92 . 1 1 10 10 ILE C C 13 176.8145 0.012 . 1 . . . . 10 ILE C . 18589 1 93 . 1 1 10 10 ILE CA C 13 62.8558 0.086 . 1 . . . . 10 ILE CA . 18589 1 94 . 1 1 10 10 ILE CB C 13 37.8184 0.045 . 1 . . . . 10 ILE CB . 18589 1 95 . 1 1 10 10 ILE CG1 C 13 29.3462 0.001 . 1 . . . . 10 ILE CG1 . 18589 1 96 . 1 1 10 10 ILE CG2 C 13 17.7994 0.041 . 1 . . . . 10 ILE CG2 . 18589 1 97 . 1 1 10 10 ILE CD1 C 13 13.387 0.041 . 1 . . . . 10 ILE CD1 . 18589 1 98 . 1 1 10 10 ILE N N 15 120.7805 0.012 . 1 . . . . 10 ILE N . 18589 1 99 . 1 1 11 11 VAL H H 1 7.8082 0.001 . 1 . . . . 11 VAL HN . 18589 1 100 . 1 1 11 11 VAL C C 13 176.7603 0 . 1 . . . . 11 VAL C . 18589 1 101 . 1 1 11 11 VAL CA C 13 67.3311 0.019 . 1 . . . . 11 VAL CA . 18589 1 102 . 1 1 11 11 VAL CB C 13 31.0575 0.029 . 1 . . . . 11 VAL CB . 18589 1 103 . 1 1 11 11 VAL CG1 C 13 21.8492 0 . 2 . . . . 11 VAL CG1|CG2 . 18589 1 104 . 1 1 11 11 VAL CG2 C 13 22.7127 0 . 2 . . . . 11 VAL CG2|CG1 . 18589 1 105 . 1 1 11 11 VAL N N 15 121.2167 0.008 . 1 . . . . 11 VAL N . 18589 1 106 . 1 1 12 12 GLU H H 1 8.3775 0.001 . 1 . . . . 12 GLU HN . 18589 1 107 . 1 1 12 12 GLU HA H 1 3.4873 0.001 . 1 . . . . 12 GLU HA . 18589 1 108 . 1 1 12 12 GLU HB2 H 1 2.1159 0.006 . 2 . . . . 12 GLU HB1|HB2 . 18589 1 109 . 1 1 12 12 GLU HB3 H 1 2.1969 0.005 . 2 . . . . 12 GLU HB2|HB1 . 18589 1 110 . 1 1 12 12 GLU HG2 H 1 1.997 0.003 . 2 . . . . 12 GLU HG1|HG2 . 18589 1 111 . 1 1 12 12 GLU HG3 H 1 2.1124 0.007 . 2 . . . . 12 GLU HG2|HG1 . 18589 1 112 . 1 1 12 12 GLU C C 13 177.3883 0 . 1 . . . . 12 GLU C . 18589 1 113 . 1 1 12 12 GLU CA C 13 60.5397 0.06 . 1 . . . . 12 GLU CA . 18589 1 114 . 1 1 12 12 GLU CB C 13 29.9314 0.081 . 1 . . . . 12 GLU CB . 18589 1 115 . 1 1 12 12 GLU CG C 13 36.2174 0.008 . 1 . . . . 12 GLU CG . 18589 1 116 . 1 1 12 12 GLU N N 15 118.8496 0.01 . 1 . . . . 12 GLU N . 18589 1 117 . 1 1 13 13 LYS H H 1 7.7415 0.001 . 1 . . . . 13 LYS HN . 18589 1 118 . 1 1 13 13 LYS HA H 1 3.897 0 . 1 . . . . 13 LYS HA . 18589 1 119 . 1 1 13 13 LYS HB2 H 1 1.959 0.003 . 2 . . . . 13 LYS HB1|HB2 . 18589 1 120 . 1 1 13 13 LYS HB3 H 1 1.8979 0.001 . 2 . . . . 13 LYS HB2|HB1 . 18589 1 121 . 1 1 13 13 LYS HG2 H 1 1.3968 0.004 . 2 . . . . 13 LYS HG1|HG2 . 18589 1 122 . 1 1 13 13 LYS HG3 H 1 1.5005 0.007 . 2 . . . . 13 LYS HG2|HG1 . 18589 1 123 . 1 1 13 13 LYS HD2 H 1 1.6346 0.001 . 2 . . . . 13 LYS HD1|HD2 . 18589 1 124 . 1 1 13 13 LYS HD3 H 1 1.5913 0.001 . 2 . . . . 13 LYS HD2|HD1 . 18589 1 125 . 1 1 13 13 LYS HE2 H 1 2.9163 0.001 . 2 . . . . 13 LYS HE1|HE2 . 18589 1 126 . 1 1 13 13 LYS C C 13 179.2274 0.047 . 1 . . . . 13 LYS C . 18589 1 127 . 1 1 13 13 LYS CA C 13 59.6714 0.015 . 1 . . . . 13 LYS CA . 18589 1 128 . 1 1 13 13 LYS CB C 13 32.8089 0.04 . 1 . . . . 13 LYS CB . 18589 1 129 . 1 1 13 13 LYS CG C 13 25.2833 0 . 1 . . . . 13 LYS CG . 18589 1 130 . 1 1 13 13 LYS CD C 13 28.721 0 . 1 . . . . 13 LYS CD . 18589 1 131 . 1 1 13 13 LYS CE C 13 42.4719 0 . 1 . . . . 13 LYS CE . 18589 1 132 . 1 1 13 13 LYS N N 15 117.6394 0.003 . 1 . . . . 13 LYS N . 18589 1 133 . 1 1 14 14 LEU H H 1 8.1712 0.001 . 1 . . . . 14 LEU HN . 18589 1 134 . 1 1 14 14 LEU HA H 1 4.1068 0.007 . 1 . . . . 14 LEU HA . 18589 1 135 . 1 1 14 14 LEU HB2 H 1 1.1614 0.009 . 2 . . . . 14 LEU HB1|HB2 . 18589 1 136 . 1 1 14 14 LEU HB3 H 1 1.8354 0.004 . 2 . . . . 14 LEU HB2|HB1 . 18589 1 137 . 1 1 14 14 LEU HG H 1 2.039 0.006 . 1 . . . . 14 LEU HG . 18589 1 138 . 1 1 14 14 LEU HD11 H 1 0.8418 0.014 . 2 . . . . 14 LEU HD1#|HD2# . 18589 1 139 . 1 1 14 14 LEU HD12 H 1 0.8418 0.014 . 2 . . . . 14 LEU HD1#|HD2# . 18589 1 140 . 1 1 14 14 LEU HD13 H 1 0.8418 0.014 . 2 . . . . 14 LEU HD1#|HD2# . 18589 1 141 . 1 1 14 14 LEU HD21 H 1 0.8803 0.006 . 2 . . . . 14 LEU HD2#|HD1# . 18589 1 142 . 1 1 14 14 LEU HD22 H 1 0.8803 0.006 . 2 . . . . 14 LEU HD2#|HD1# . 18589 1 143 . 1 1 14 14 LEU HD23 H 1 0.8803 0.006 . 2 . . . . 14 LEU HD2#|HD1# . 18589 1 144 . 1 1 14 14 LEU C C 13 178.8973 0.048 . 1 . . . . 14 LEU C . 18589 1 145 . 1 1 14 14 LEU CA C 13 57.6967 0.074 . 1 . . . . 14 LEU CA . 18589 1 146 . 1 1 14 14 LEU CB C 13 42.2248 0.094 . 1 . . . . 14 LEU CB . 18589 1 147 . 1 1 14 14 LEU CG C 13 27.1584 0 . 1 . . . . 14 LEU CG . 18589 1 148 . 1 1 14 14 LEU CD1 C 13 27.5751 0.074 . 2 . . . . 14 LEU CD1|CD2 . 18589 1 149 . 1 1 14 14 LEU CD2 C 13 22.4706 0 . 2 . . . . 14 LEU CD2|CD1 . 18589 1 150 . 1 1 14 14 LEU N N 15 116.9424 0.043 . 1 . . . . 14 LEU N . 18589 1 151 . 1 1 15 15 TYR H H 1 8.9947 0.001 . 1 . . . . 15 TYR HN . 18589 1 152 . 1 1 15 15 TYR HA H 1 4.0009 0.002 . 1 . . . . 15 TYR HA . 18589 1 153 . 1 1 15 15 TYR HB2 H 1 2.9496 0.003 . 2 . . . . 15 TYR HB1|HB2 . 18589 1 154 . 1 1 15 15 TYR HB3 H 1 3.0109 0.005 . 2 . . . . 15 TYR HB2|HB1 . 18589 1 155 . 1 1 15 15 TYR HD1 H 1 6.7832 0.012 . 2 . . . . 15 TYR HD# . 18589 1 156 . 1 1 15 15 TYR HD2 H 1 6.7832 0.012 . 2 . . . . 15 TYR HD# . 18589 1 157 . 1 1 15 15 TYR C C 13 181.2784 0.006 . 1 . . . . 15 TYR C . 18589 1 158 . 1 1 15 15 TYR CA C 13 62.4714 0.059 . 1 . . . . 15 TYR CA . 18589 1 159 . 1 1 15 15 TYR CB C 13 39.0335 0.052 . 1 . . . . 15 TYR CB . 18589 1 160 . 1 1 15 15 TYR N N 15 120.723 0.011 . 1 . . . . 15 TYR N . 18589 1 161 . 1 1 16 16 LYS H H 1 8.6662 0.001 . 1 . . . . 16 LYS HN . 18589 1 162 . 1 1 16 16 LYS HA H 1 3.9494 0.003 . 1 . . . . 16 LYS HA . 18589 1 163 . 1 1 16 16 LYS HB2 H 1 2.0283 0.001 . 2 . . . . 16 LYS HB1|HB2 . 18589 1 164 . 1 1 16 16 LYS HB3 H 1 1.9518 0.001 . 2 . . . . 16 LYS HB2|HB1 . 18589 1 165 . 1 1 16 16 LYS HD2 H 1 1.777 0.002 . 2 . . . . 16 LYS HD1|HD2 . 18589 1 166 . 1 1 16 16 LYS HD3 H 1 1.7463 0 . 2 . . . . 16 LYS HD2|HD1 . 18589 1 167 . 1 1 16 16 LYS C C 13 177.8792 0.017 . 1 . . . . 16 LYS C . 18589 1 168 . 1 1 16 16 LYS CA C 13 60.0874 0.066 . 1 . . . . 16 LYS CA . 18589 1 169 . 1 1 16 16 LYS CB C 13 32.2778 0.086 . 1 . . . . 16 LYS CB . 18589 1 170 . 1 1 16 16 LYS CG C 13 27.5517 0 . 1 . . . . 16 LYS CG . 18589 1 171 . 1 1 16 16 LYS CD C 13 29.7013 0.06 . 1 . . . . 16 LYS CD . 18589 1 172 . 1 1 16 16 LYS CE C 13 42.5652 0 . 1 . . . . 16 LYS CE . 18589 1 173 . 1 1 16 16 LYS N N 15 121.4935 0.019 . 1 . . . . 16 LYS N . 18589 1 174 . 1 1 17 17 ASP H H 1 7.7087 0.001 . 1 . . . . 17 ASP HN . 18589 1 175 . 1 1 17 17 ASP HA H 1 4.5423 0.002 . 1 . . . . 17 ASP HA . 18589 1 176 . 1 1 17 17 ASP HB2 H 1 2.7507 0.003 . 2 . . . . 17 ASP HB1|HB2 . 18589 1 177 . 1 1 17 17 ASP C C 13 176.7858 0.008 . 1 . . . . 17 ASP C . 18589 1 178 . 1 1 17 17 ASP CA C 13 54.7914 0.116 . 1 . . . . 17 ASP CA . 18589 1 179 . 1 1 17 17 ASP CB C 13 41.3349 0.081 . 1 . . . . 17 ASP CB . 18589 1 180 . 1 1 17 17 ASP N N 15 118.9147 0.002 . 1 . . . . 17 ASP N . 18589 1 181 . 1 1 18 18 GLY H H 1 7.7495 0.001 . 1 . . . . 18 GLY HN . 18589 1 182 . 1 1 18 18 GLY HA2 H 1 3.5185 0.003 . 2 . . . . 18 GLY HA1|HA2 . 18589 1 183 . 1 1 18 18 GLY HA3 H 1 4.0126 0.002 . 2 . . . . 18 GLY HA2|HA1 . 18589 1 184 . 1 1 18 18 GLY C C 13 174.5177 0 . 1 . . . . 18 GLY C . 18589 1 185 . 1 1 18 18 GLY CA C 13 45.4976 0.058 . 1 . . . . 18 GLY CA . 18589 1 186 . 1 1 18 18 GLY N N 15 107.4168 0.008 . 1 . . . . 18 GLY N . 18589 1 187 . 1 1 19 19 VAL H H 1 7.5749 0.001 . 1 . . . . 19 VAL HN . 18589 1 188 . 1 1 19 19 VAL HA H 1 4.074 0.002 . 1 . . . . 19 VAL HA . 18589 1 189 . 1 1 19 19 VAL HB H 1 1.6886 0.003 . 1 . . . . 19 VAL HB . 18589 1 190 . 1 1 19 19 VAL HG11 H 1 0.9749 0.003 . 2 . . . . 19 VAL HG1#|HG2# . 18589 1 191 . 1 1 19 19 VAL HG12 H 1 0.9749 0.003 . 2 . . . . 19 VAL HG1#|HG2# . 18589 1 192 . 1 1 19 19 VAL HG13 H 1 0.9749 0.003 . 2 . . . . 19 VAL HG1#|HG2# . 18589 1 193 . 1 1 19 19 VAL HG21 H 1 0.9785 0 . 2 . . . . 19 VAL HG2#|HG1# . 18589 1 194 . 1 1 19 19 VAL HG22 H 1 0.9785 0 . 2 . . . . 19 VAL HG2#|HG1# . 18589 1 195 . 1 1 19 19 VAL HG23 H 1 0.9785 0 . 2 . . . . 19 VAL HG2#|HG1# . 18589 1 196 . 1 1 19 19 VAL C C 13 174.3344 0 . 1 . . . . 19 VAL C . 18589 1 197 . 1 1 19 19 VAL CA C 13 60.8932 0.03 . 1 . . . . 19 VAL CA . 18589 1 198 . 1 1 19 19 VAL CB C 13 32.1805 0.022 . 1 . . . . 19 VAL CB . 18589 1 199 . 1 1 19 19 VAL CG1 C 13 21.8455 0 . 2 . . . . 19 VAL CG1|CG2 . 18589 1 200 . 1 1 19 19 VAL CG2 C 13 22.7831 0 . 2 . . . . 19 VAL CG2|CG1 . 18589 1 201 . 1 1 19 19 VAL N N 15 123.5186 0.002 . 1 . . . . 19 VAL N . 18589 1 202 . 1 1 20 20 PRO HA H 1 4.3698 0.002 . 1 . . . . 20 PRO HA . 18589 1 203 . 1 1 20 20 PRO HB2 H 1 2.2444 0.004 . 2 . . . . 20 PRO HB1|HB2 . 18589 1 204 . 1 1 20 20 PRO HB3 H 1 1.846 0.006 . 2 . . . . 20 PRO HB2|HB1 . 18589 1 205 . 1 1 20 20 PRO HG2 H 1 1.9975 0.003 . 2 . . . . 20 PRO HG1|HG2 . 18589 1 206 . 1 1 20 20 PRO HG3 H 1 1.9121 0.004 . 2 . . . . 20 PRO HG2|HG1 . 18589 1 207 . 1 1 20 20 PRO HD2 H 1 3.6144 0.005 . 2 . . . . 20 PRO HD1|HD2 . 18589 1 208 . 1 1 20 20 PRO HD3 H 1 3.8309 0.005 . 2 . . . . 20 PRO HD2|HD1 . 18589 1 209 . 1 1 20 20 PRO C C 13 178.5071 0 . 1 . . . . 20 PRO C . 18589 1 210 . 1 1 20 20 PRO CA C 13 62.7945 0.023 . 1 . . . . 20 PRO CA . 18589 1 211 . 1 1 20 20 PRO CB C 13 32.477 0.018 . 1 . . . . 20 PRO CB . 18589 1 212 . 1 1 20 20 PRO CG C 13 28.093 0.009 . 1 . . . . 20 PRO CG . 18589 1 213 . 1 1 20 20 PRO CD C 13 50.5974 0 . 1 . . . . 20 PRO CD . 18589 1 214 . 1 1 21 21 VAL H H 1 8.9176 0.001 . 1 . . . . 21 VAL HN . 18589 1 215 . 1 1 21 21 VAL HA H 1 3.4217 0.005 . 1 . . . . 21 VAL HA . 18589 1 216 . 1 1 21 21 VAL HB H 1 1.9954 0.004 . 1 . . . . 21 VAL HB . 18589 1 217 . 1 1 21 21 VAL HG11 H 1 1.066 0.003 . 2 . . . . 21 VAL HG1#|HG2# . 18589 1 218 . 1 1 21 21 VAL HG12 H 1 1.066 0.003 . 2 . . . . 21 VAL HG1#|HG2# . 18589 1 219 . 1 1 21 21 VAL HG13 H 1 1.066 0.003 . 2 . . . . 21 VAL HG1#|HG2# . 18589 1 220 . 1 1 21 21 VAL HG21 H 1 0.6556 0.003 . 2 . . . . 21 VAL HG2#|HG1# . 18589 1 221 . 1 1 21 21 VAL HG22 H 1 0.6556 0.003 . 2 . . . . 21 VAL HG2#|HG1# . 18589 1 222 . 1 1 21 21 VAL HG23 H 1 0.6556 0.003 . 2 . . . . 21 VAL HG2#|HG1# . 18589 1 223 . 1 1 21 21 VAL C C 13 177.2645 0.009 . 1 . . . . 21 VAL C . 18589 1 224 . 1 1 21 21 VAL CA C 13 68.0986 0.011 . 1 . . . . 21 VAL CA . 18589 1 225 . 1 1 21 21 VAL CB C 13 31.2466 0.043 . 1 . . . . 21 VAL CB . 18589 1 226 . 1 1 21 21 VAL CG1 C 13 22.7734 0.019 . 2 . . . . 21 VAL CG1|CG2 . 18589 1 227 . 1 1 21 21 VAL CG2 C 13 20.9429 0.07 . 2 . . . . 21 VAL CG2|CG1 . 18589 1 228 . 1 1 21 21 VAL N N 15 123.1546 0.023 . 1 . . . . 21 VAL N . 18589 1 229 . 1 1 22 22 LYS H H 1 8.9919 0.001 . 1 . . . . 22 LYS HN . 18589 1 230 . 1 1 22 22 LYS HA H 1 4.1235 0.004 . 1 . . . . 22 LYS HA . 18589 1 231 . 1 1 22 22 LYS HB2 H 1 1.7758 0.001 . 2 . . . . 22 LYS HB1|HB2 . 18589 1 232 . 1 1 22 22 LYS HB3 H 1 1.8762 0.003 . 2 . . . . 22 LYS HB2|HB1 . 18589 1 233 . 1 1 22 22 LYS HG2 H 1 1.5405 0 . 2 . . . . 22 LYS HG1|HG2 . 18589 1 234 . 1 1 22 22 LYS HG3 H 1 1.4405 0 . 2 . . . . 22 LYS HG2|HG1 . 18589 1 235 . 1 1 22 22 LYS HD2 H 1 1.7066 0.005 . 2 . . . . 22 LYS HD1|HD2 . 18589 1 236 . 1 1 22 22 LYS HD3 H 1 1.7305 0.003 . 2 . . . . 22 LYS HD2|HD1 . 18589 1 237 . 1 1 22 22 LYS HE2 H 1 3.0004 0 . 2 . . . . 22 LYS HE1|HE2 . 18589 1 238 . 1 1 22 22 LYS C C 13 178.8067 0.009 . 1 . . . . 22 LYS C . 18589 1 239 . 1 1 22 22 LYS CA C 13 59.9737 0.011 . 1 . . . . 22 LYS CA . 18589 1 240 . 1 1 22 22 LYS CB C 13 32.4953 0.026 . 1 . . . . 22 LYS CB . 18589 1 241 . 1 1 22 22 LYS CG C 13 25.1181 0 . 1 . . . . 22 LYS CG . 18589 1 242 . 1 1 22 22 LYS CD C 13 29.6459 0.031 . 1 . . . . 22 LYS CD . 18589 1 243 . 1 1 22 22 LYS CE C 13 42.1125 0 . 1 . . . . 22 LYS CE . 18589 1 244 . 1 1 22 22 LYS N N 15 118.0239 0.006 . 1 . . . . 22 LYS N . 18589 1 245 . 1 1 23 23 GLU H H 1 7.1778 0.001 . 1 . . . . 23 GLU HN . 18589 1 246 . 1 1 23 23 GLU HA H 1 4.2783 0.003 . 1 . . . . 23 GLU HA . 18589 1 247 . 1 1 23 23 GLU HB2 H 1 2.0218 0 . 2 . . . . 23 GLU HB1|HB2 . 18589 1 248 . 1 1 23 23 GLU HB3 H 1 1.834 0 . 2 . . . . 23 GLU HB2|HB1 . 18589 1 249 . 1 1 23 23 GLU HG2 H 1 2.2372 0.006 . 2 . . . . 23 GLU HG1|HG2 . 18589 1 250 . 1 1 23 23 GLU HG3 H 1 2.036 0.005 . 2 . . . . 23 GLU HG2|HG1 . 18589 1 251 . 1 1 23 23 GLU C C 13 178.1377 0.003 . 1 . . . . 23 GLU C . 18589 1 252 . 1 1 23 23 GLU CA C 13 57.7211 0.056 . 1 . . . . 23 GLU CA . 18589 1 253 . 1 1 23 23 GLU CB C 13 29.6772 0.032 . 1 . . . . 23 GLU CB . 18589 1 254 . 1 1 23 23 GLU CG C 13 35.9176 0.017 . 1 . . . . 23 GLU CG . 18589 1 255 . 1 1 23 23 GLU N N 15 118.5328 0.004 . 1 . . . . 23 GLU N . 18589 1 256 . 1 1 24 24 ILE H H 1 8.4016 0.001 . 1 . . . . 24 ILE HN . 18589 1 257 . 1 1 24 24 ILE HA H 1 3.409 0.004 . 1 . . . . 24 ILE HA . 18589 1 258 . 1 1 24 24 ILE HB H 1 2.0861 0.003 . 1 . . . . 24 ILE HB . 18589 1 259 . 1 1 24 24 ILE HG12 H 1 0.6668 0.005 . 2 . . . . 24 ILE HG12 . 18589 1 260 . 1 1 24 24 ILE HG13 H 1 1.8864 0.004 . 2 . . . . 24 ILE HG13 . 18589 1 261 . 1 1 24 24 ILE HG21 H 1 0.8638 0.002 . 2 . . . . 24 ILE HG2# . 18589 1 262 . 1 1 24 24 ILE HG22 H 1 0.8638 0.002 . 2 . . . . 24 ILE HG2# . 18589 1 263 . 1 1 24 24 ILE HG23 H 1 0.8638 0.002 . 2 . . . . 24 ILE HG2# . 18589 1 264 . 1 1 24 24 ILE HD11 H 1 0.937 0.002 . 2 . . . . 24 ILE HD1# . 18589 1 265 . 1 1 24 24 ILE HD12 H 1 0.937 0.002 . 2 . . . . 24 ILE HD1# . 18589 1 266 . 1 1 24 24 ILE HD13 H 1 0.937 0.002 . 2 . . . . 24 ILE HD1# . 18589 1 267 . 1 1 24 24 ILE C C 13 179.7032 0.001 . 1 . . . . 24 ILE C . 18589 1 268 . 1 1 24 24 ILE CA C 13 66.4709 0.076 . 1 . . . . 24 ILE CA . 18589 1 269 . 1 1 24 24 ILE CB C 13 37.4722 0.01 . 1 . . . . 24 ILE CB . 18589 1 270 . 1 1 24 24 ILE CG1 C 13 28.4151 0.021 . 1 . . . . 24 ILE CG1 . 18589 1 271 . 1 1 24 24 ILE CG2 C 13 18.7025 0.04 . 1 . . . . 24 ILE CG2 . 18589 1 272 . 1 1 24 24 ILE CD1 C 13 12.7917 0.023 . 1 . . . . 24 ILE CD1 . 18589 1 273 . 1 1 24 24 ILE N N 15 122.3404 0.013 . 1 . . . . 24 ILE N . 18589 1 274 . 1 1 25 25 ALA H H 1 8.1578 0.001 . 1 . . . . 25 ALA HN . 18589 1 275 . 1 1 25 25 ALA HA H 1 3.5537 0.003 . 1 . . . . 25 ALA HA . 18589 1 276 . 1 1 25 25 ALA HB1 H 1 1.381 0.008 . 2 . . . . 25 ALA HB# . 18589 1 277 . 1 1 25 25 ALA HB2 H 1 1.381 0.008 . 2 . . . . 25 ALA HB# . 18589 1 278 . 1 1 25 25 ALA HB3 H 1 1.381 0.008 . 2 . . . . 25 ALA HB# . 18589 1 279 . 1 1 25 25 ALA C C 13 177.9859 0.002 . 1 . . . . 25 ALA C . 18589 1 280 . 1 1 25 25 ALA CA C 13 56.3156 0.068 . 1 . . . . 25 ALA CA . 18589 1 281 . 1 1 25 25 ALA CB C 13 17.5551 0.062 . 1 . . . . 25 ALA CB . 18589 1 282 . 1 1 25 25 ALA N N 15 123.6863 0.008 . 1 . . . . 25 ALA N . 18589 1 283 . 1 1 26 26 LYS H H 1 7.3254 0.001 . 1 . . . . 26 LYS HN . 18589 1 284 . 1 1 26 26 LYS HA H 1 4.0549 0.002 . 1 . . . . 26 LYS HA . 18589 1 285 . 1 1 26 26 LYS HB2 H 1 1.9592 0.005 . 2 . . . . 26 LYS HB1|HB2 . 18589 1 286 . 1 1 26 26 LYS HB3 H 1 1.9033 0.001 . 2 . . . . 26 LYS HB2|HB1 . 18589 1 287 . 1 1 26 26 LYS HG2 H 1 1.4083 0.001 . 2 . . . . 26 LYS HG1|HG2 . 18589 1 288 . 1 1 26 26 LYS HG3 H 1 1.5354 0.002 . 2 . . . . 26 LYS HG2|HG1 . 18589 1 289 . 1 1 26 26 LYS HD2 H 1 1.7125 0 . 2 . . . . 26 LYS HD1|HD2 . 18589 1 290 . 1 1 26 26 LYS HE2 H 1 2.9254 0 . 2 . . . . 26 LYS HE1|HE2 . 18589 1 291 . 1 1 26 26 LYS HE3 H 1 2.9595 0.003 . 2 . . . . 26 LYS HE2|HE1 . 18589 1 292 . 1 1 26 26 LYS C C 13 180.277 0.009 . 1 . . . . 26 LYS C . 18589 1 293 . 1 1 26 26 LYS CA C 13 59.6086 0.053 . 1 . . . . 26 LYS CA . 18589 1 294 . 1 1 26 26 LYS CB C 13 32.8171 0.044 . 1 . . . . 26 LYS CB . 18589 1 295 . 1 1 26 26 LYS CG C 13 24.6484 0.032 . 1 . . . . 26 LYS CG . 18589 1 296 . 1 1 26 26 LYS CD C 13 29.1711 0 . 1 . . . . 26 LYS CD . 18589 1 297 . 1 1 26 26 LYS CE C 13 42.1477 0.012 . 1 . . . . 26 LYS CE . 18589 1 298 . 1 1 26 26 LYS N N 15 117.2615 0.005 . 1 . . . . 26 LYS N . 18589 1 299 . 1 1 27 27 ARG H H 1 8.6643 0.001 . 1 . . . . 27 ARG HN . 18589 1 300 . 1 1 27 27 ARG HA H 1 4.0942 0.006 . 1 . . . . 27 ARG HA . 18589 1 301 . 1 1 27 27 ARG HB2 H 1 1.9193 0.004 . 2 . . . . 27 ARG HB1|HB2 . 18589 1 302 . 1 1 27 27 ARG HB3 H 1 1.6748 0.003 . 2 . . . . 27 ARG HB2|HB1 . 18589 1 303 . 1 1 27 27 ARG HG2 H 1 1.9156 0.005 . 2 . . . . 27 ARG HG1|HG2 . 18589 1 304 . 1 1 27 27 ARG HG3 H 1 1.7537 0.003 . 2 . . . . 27 ARG HG2|HG1 . 18589 1 305 . 1 1 27 27 ARG HD2 H 1 3.037 0.002 . 2 . . . . 27 ARG HD1|HD2 . 18589 1 306 . 1 1 27 27 ARG HD3 H 1 3.1449 0.003 . 2 . . . . 27 ARG HD2|HD1 . 18589 1 307 . 1 1 27 27 ARG C C 13 177.1237 0.003 . 1 . . . . 27 ARG C . 18589 1 308 . 1 1 27 27 ARG CA C 13 58.4634 0.06 . 1 . . . . 27 ARG CA . 18589 1 309 . 1 1 27 27 ARG CB C 13 30.878 0.05 . 1 . . . . 27 ARG CB . 18589 1 310 . 1 1 27 27 ARG CG C 13 27.7829 0.002 . 1 . . . . 27 ARG CG . 18589 1 311 . 1 1 27 27 ARG CD C 13 43.7425 0.05 . 1 . . . . 27 ARG CD . 18589 1 312 . 1 1 27 27 ARG N N 15 116.4599 0.005 . 1 . . . . 27 ARG N . 18589 1 313 . 1 1 28 28 SER H H 1 7.8878 0.001 . 1 . . . . 28 SER HN . 18589 1 314 . 1 1 28 28 SER HA H 1 4.4939 0.002 . 1 . . . . 28 SER HA . 18589 1 315 . 1 1 28 28 SER HB2 H 1 3.8711 0.004 . 2 . . . . 28 SER HB1|HB2 . 18589 1 316 . 1 1 28 28 SER HB3 H 1 3.9516 0.001 . 2 . . . . 28 SER HB2|HB1 . 18589 1 317 . 1 1 28 28 SER C C 13 172.859 0.022 . 1 . . . . 28 SER C . 18589 1 318 . 1 1 28 28 SER CA C 13 57.8604 0.057 . 1 . . . . 28 SER CA . 18589 1 319 . 1 1 28 28 SER CB C 13 65.024 0.04 . 1 . . . . 28 SER CB . 18589 1 320 . 1 1 28 28 SER N N 15 110.5675 0.007 . 1 . . . . 28 SER N . 18589 1 321 . 1 1 29 29 ASN H H 1 7.6874 0.001 . 1 . . . . 29 ASN HN . 18589 1 322 . 1 1 29 29 ASN HA H 1 4.3453 0.004 . 1 . . . . 29 ASN HA . 18589 1 323 . 1 1 29 29 ASN HB2 H 1 2.6935 0.003 . 2 . . . . 29 ASN HB1|HB2 . 18589 1 324 . 1 1 29 29 ASN HB3 H 1 3.1061 0.003 . 2 . . . . 29 ASN HB2|HB1 . 18589 1 325 . 1 1 29 29 ASN C C 13 173.135 0.018 . 1 . . . . 29 ASN C . 18589 1 326 . 1 1 29 29 ASN CA C 13 54.3793 0.034 . 1 . . . . 29 ASN CA . 18589 1 327 . 1 1 29 29 ASN CB C 13 37.1566 0.016 . 1 . . . . 29 ASN CB . 18589 1 328 . 1 1 29 29 ASN N N 15 118.3532 0.004 . 1 . . . . 29 ASN N . 18589 1 329 . 1 1 30 30 ASN H H 1 8.3663 0.001 . 1 . . . . 30 ASN HN . 18589 1 330 . 1 1 30 30 ASN HA H 1 5.1771 0.005 . 1 . . . . 30 ASN HA . 18589 1 331 . 1 1 30 30 ASN HB2 H 1 2.1901 0.003 . 2 . . . . 30 ASN HB1|HB2 . 18589 1 332 . 1 1 30 30 ASN HB3 H 1 2.5688 0.001 . 2 . . . . 30 ASN HB2|HB1 . 18589 1 333 . 1 1 30 30 ASN C C 13 174.6894 0.013 . 1 . . . . 30 ASN C . 18589 1 334 . 1 1 30 30 ASN CA C 13 51.804 0.039 . 1 . . . . 30 ASN CA . 18589 1 335 . 1 1 30 30 ASN CB C 13 44.4172 0.087 . 1 . . . . 30 ASN CB . 18589 1 336 . 1 1 30 30 ASN N N 15 115.8459 0.011 . 1 . . . . 30 ASN N . 18589 1 337 . 1 1 31 31 SER H H 1 8.7038 0.001 . 1 . . . . 31 SER HN . 18589 1 338 . 1 1 31 31 SER HA H 1 4.4804 0.004 . 1 . . . . 31 SER HA . 18589 1 339 . 1 1 31 31 SER HB2 H 1 4.0041 0.007 . 2 . . . . 31 SER HB1|HB2 . 18589 1 340 . 1 1 31 31 SER HB3 H 1 4.2786 0.008 . 2 . . . . 31 SER HB2|HB1 . 18589 1 341 . 1 1 31 31 SER C C 13 175.6704 0 . 1 . . . . 31 SER C . 18589 1 342 . 1 1 31 31 SER CA C 13 56.8495 0.003 . 1 . . . . 31 SER CA . 18589 1 343 . 1 1 31 31 SER CB C 13 64.6887 0.062 . 1 . . . . 31 SER CB . 18589 1 344 . 1 1 31 31 SER N N 15 113.9687 0.008 . 1 . . . . 31 SER N . 18589 1 345 . 1 1 32 32 MET HA H 1 3.8765 0.001 . 1 . . . . 32 MET HA . 18589 1 346 . 1 1 32 32 MET HB2 H 1 1.942 0.006 . 2 . . . . 32 MET HB1|HB2 . 18589 1 347 . 1 1 32 32 MET HB3 H 1 2.0742 0.003 . 2 . . . . 32 MET HB2|HB1 . 18589 1 348 . 1 1 32 32 MET HG2 H 1 2.4246 0.006 . 2 . . . . 32 MET HG1|HG2 . 18589 1 349 . 1 1 32 32 MET HG3 H 1 2.6175 0.004 . 2 . . . . 32 MET HG2|HG1 . 18589 1 350 . 1 1 32 32 MET C C 13 177.9431 0.003 . 1 . . . . 32 MET C . 18589 1 351 . 1 1 32 32 MET CA C 13 58.4544 0.054 . 1 . . . . 32 MET CA . 18589 1 352 . 1 1 32 32 MET CB C 13 31.2391 0.04 . 1 . . . . 32 MET CB . 18589 1 353 . 1 1 32 32 MET CG C 13 32.4769 0.017 . 1 . . . . 32 MET CG . 18589 1 354 . 1 1 33 33 SER H H 1 8.439 0.001 . 1 . . . . 33 SER HN . 18589 1 355 . 1 1 33 33 SER HA H 1 4.272 0.002 . 1 . . . . 33 SER HA . 18589 1 356 . 1 1 33 33 SER HB2 H 1 3.9343 0.002 . 2 . . . . 33 SER HB1|HB2 . 18589 1 357 . 1 1 33 33 SER HB3 H 1 3.8966 0.006 . 2 . . . . 33 SER HB2|HB1 . 18589 1 358 . 1 1 33 33 SER C C 13 177.3662 0.021 . 1 . . . . 33 SER C . 18589 1 359 . 1 1 33 33 SER CA C 13 61.6993 0.013 . 1 . . . . 33 SER CA . 18589 1 360 . 1 1 33 33 SER CB C 13 62.3006 0.036 . 1 . . . . 33 SER CB . 18589 1 361 . 1 1 33 33 SER N N 15 112.4559 0.009 . 1 . . . . 33 SER N . 18589 1 362 . 1 1 34 34 THR H H 1 7.8635 0.001 . 1 . . . . 34 THR HN . 18589 1 363 . 1 1 34 34 THR HA H 1 3.8137 0.004 . 1 . . . . 34 THR HA . 18589 1 364 . 1 1 34 34 THR HB H 1 4.1941 0.003 . 1 . . . . 34 THR HB . 18589 1 365 . 1 1 34 34 THR HG21 H 1 1.0595 0.003 . 2 . . . . 34 THR HG2# . 18589 1 366 . 1 1 34 34 THR HG22 H 1 1.0595 0.003 . 2 . . . . 34 THR HG2# . 18589 1 367 . 1 1 34 34 THR HG23 H 1 1.0595 0.003 . 2 . . . . 34 THR HG2# . 18589 1 368 . 1 1 34 34 THR C C 13 176.2541 0.001 . 1 . . . . 34 THR C . 18589 1 369 . 1 1 34 34 THR CA C 13 66.6067 0.077 . 1 . . . . 34 THR CA . 18589 1 370 . 1 1 34 34 THR CB C 13 68.2247 0.048 . 1 . . . . 34 THR CB . 18589 1 371 . 1 1 34 34 THR CG2 C 13 21.9623 0 . 1 . . . . 34 THR CG2 . 18589 1 372 . 1 1 34 34 THR N N 15 119.8064 0.018 . 1 . . . . 34 THR N . 18589 1 373 . 1 1 35 35 VAL H H 1 7.8128 0.003 . 1 . . . . 35 VAL HN . 18589 1 374 . 1 1 35 35 VAL HA H 1 3.3788 0.004 . 1 . . . . 35 VAL HA . 18589 1 375 . 1 1 35 35 VAL HB H 1 2.0019 0.006 . 1 . . . . 35 VAL HB . 18589 1 376 . 1 1 35 35 VAL HG11 H 1 0.7635 0.006 . 2 . . . . 35 VAL HG1#|HG2# . 18589 1 377 . 1 1 35 35 VAL HG12 H 1 0.7635 0.006 . 2 . . . . 35 VAL HG1#|HG2# . 18589 1 378 . 1 1 35 35 VAL HG13 H 1 0.7635 0.006 . 2 . . . . 35 VAL HG1#|HG2# . 18589 1 379 . 1 1 35 35 VAL HG21 H 1 0.8666 0.004 . 2 . . . . 35 VAL HG2#|HG1# . 18589 1 380 . 1 1 35 35 VAL HG22 H 1 0.8666 0.004 . 2 . . . . 35 VAL HG2#|HG1# . 18589 1 381 . 1 1 35 35 VAL HG23 H 1 0.8666 0.004 . 2 . . . . 35 VAL HG2#|HG1# . 18589 1 382 . 1 1 35 35 VAL C C 13 177.4662 0.001 . 1 . . . . 35 VAL C . 18589 1 383 . 1 1 35 35 VAL CA C 13 67.6842 0.056 . 1 . . . . 35 VAL CA . 18589 1 384 . 1 1 35 35 VAL CB C 13 30.7551 0.044 . 1 . . . . 35 VAL CB . 18589 1 385 . 1 1 35 35 VAL CG1 C 13 22.013 0.022 . 2 . . . . 35 VAL CG1|CG2 . 18589 1 386 . 1 1 35 35 VAL CG2 C 13 22.9647 0.051 . 2 . . . . 35 VAL CG2|CG1 . 18589 1 387 . 1 1 35 35 VAL N N 15 122.1453 0.024 . 1 . . . . 35 VAL N . 18589 1 388 . 1 1 36 36 TYR H H 1 8.6409 0.001 . 1 . . . . 36 TYR HN . 18589 1 389 . 1 1 36 36 TYR HA H 1 4.2711 0.002 . 1 . . . . 36 TYR HA . 18589 1 390 . 1 1 36 36 TYR HB2 H 1 2.9592 0.005 . 2 . . . . 36 TYR HB1|HB2 . 18589 1 391 . 1 1 36 36 TYR HB3 H 1 3.1331 0.002 . 2 . . . . 36 TYR HB2|HB1 . 18589 1 392 . 1 1 36 36 TYR HD1 H 1 7.0912 0 . 2 . . . . 36 TYR HD# . 18589 1 393 . 1 1 36 36 TYR HD2 H 1 7.0912 0 . 2 . . . . 36 TYR HD# . 18589 1 394 . 1 1 36 36 TYR C C 13 179.5659 0.023 . 1 . . . . 36 TYR C . 18589 1 395 . 1 1 36 36 TYR CA C 13 62.4467 0.062 . 1 . . . . 36 TYR CA . 18589 1 396 . 1 1 36 36 TYR CB C 13 37.1774 0.026 . 1 . . . . 36 TYR CB . 18589 1 397 . 1 1 36 36 TYR N N 15 118.541 0.008 . 1 . . . . 36 TYR N . 18589 1 398 . 1 1 37 37 LYS H H 1 8.0323 0.001 . 1 . . . . 37 LYS HN . 18589 1 399 . 1 1 37 37 LYS HA H 1 4.1356 0.002 . 1 . . . . 37 LYS HA . 18589 1 400 . 1 1 37 37 LYS HB2 H 1 1.8768 0 . 2 . . . . 37 LYS HB1|HB2 . 18589 1 401 . 1 1 37 37 LYS HB3 H 1 1.9662 0 . 2 . . . . 37 LYS HB2|HB1 . 18589 1 402 . 1 1 37 37 LYS C C 13 179.2505 0.005 . 1 . . . . 37 LYS C . 18589 1 403 . 1 1 37 37 LYS CA C 13 59.2648 0.045 . 1 . . . . 37 LYS CA . 18589 1 404 . 1 1 37 37 LYS CB C 13 32.2554 0.069 . 1 . . . . 37 LYS CB . 18589 1 405 . 1 1 37 37 LYS CG C 13 25.3254 0 . 1 . . . . 37 LYS CG . 18589 1 406 . 1 1 37 37 LYS CD C 13 28.9199 0 . 1 . . . . 37 LYS CD . 18589 1 407 . 1 1 37 37 LYS CE C 13 42.3253 0 . 1 . . . . 37 LYS CE . 18589 1 408 . 1 1 37 37 LYS N N 15 119.9743 0.005 . 1 . . . . 37 LYS N . 18589 1 409 . 1 1 38 38 ALA H H 1 8.4249 0.001 . 1 . . . . 38 ALA HN . 18589 1 410 . 1 1 38 38 ALA HA H 1 3.9442 0.005 . 1 . . . . 38 ALA HA . 18589 1 411 . 1 1 38 38 ALA HB1 H 1 1.4333 0.004 . 2 . . . . 38 ALA HB# . 18589 1 412 . 1 1 38 38 ALA HB2 H 1 1.4333 0.004 . 2 . . . . 38 ALA HB# . 18589 1 413 . 1 1 38 38 ALA HB3 H 1 1.4333 0.004 . 2 . . . . 38 ALA HB# . 18589 1 414 . 1 1 38 38 ALA C C 13 179.344 0.024 . 1 . . . . 38 ALA C . 18589 1 415 . 1 1 38 38 ALA CA C 13 55.0839 0.033 . 1 . . . . 38 ALA CA . 18589 1 416 . 1 1 38 38 ALA CB C 13 18.1907 0.046 . 1 . . . . 38 ALA CB . 18589 1 417 . 1 1 38 38 ALA N N 15 123.7082 0.006 . 1 . . . . 38 ALA N . 18589 1 418 . 1 1 39 39 LEU H H 1 8.5202 0.001 . 1 . . . . 39 LEU HN . 18589 1 419 . 1 1 39 39 LEU HA H 1 3.7417 0.003 . 1 . . . . 39 LEU HA . 18589 1 420 . 1 1 39 39 LEU HB2 H 1 0.9815 0.003 . 2 . . . . 39 LEU HB1|HB2 . 18589 1 421 . 1 1 39 39 LEU HB3 H 1 1.9261 0.003 . 2 . . . . 39 LEU HB2|HB1 . 18589 1 422 . 1 1 39 39 LEU HG H 1 1.6607 0.006 . 1 . . . . 39 LEU HG . 18589 1 423 . 1 1 39 39 LEU HD11 H 1 0.1278 0.005 . 2 . . . . 39 LEU HD1#|HD2# . 18589 1 424 . 1 1 39 39 LEU HD12 H 1 0.1278 0.005 . 2 . . . . 39 LEU HD1#|HD2# . 18589 1 425 . 1 1 39 39 LEU HD13 H 1 0.1278 0.005 . 2 . . . . 39 LEU HD1#|HD2# . 18589 1 426 . 1 1 39 39 LEU HD21 H 1 0.6421 0.005 . 2 . . . . 39 LEU HD2#|HD1# . 18589 1 427 . 1 1 39 39 LEU HD22 H 1 0.6421 0.005 . 2 . . . . 39 LEU HD2#|HD1# . 18589 1 428 . 1 1 39 39 LEU HD23 H 1 0.6421 0.005 . 2 . . . . 39 LEU HD2#|HD1# . 18589 1 429 . 1 1 39 39 LEU C C 13 178.9614 0.028 . 1 . . . . 39 LEU C . 18589 1 430 . 1 1 39 39 LEU CA C 13 58.2215 0.04 . 1 . . . . 39 LEU CA . 18589 1 431 . 1 1 39 39 LEU CB C 13 41.3634 0.026 . 1 . . . . 39 LEU CB . 18589 1 432 . 1 1 39 39 LEU CG C 13 26.3844 0.016 . 1 . . . . 39 LEU CG . 18589 1 433 . 1 1 39 39 LEU CD1 C 13 22.9466 0.016 . 2 . . . . 39 LEU CD1|CD2 . 18589 1 434 . 1 1 39 39 LEU CD2 C 13 26.3771 0 . 2 . . . . 39 LEU CD2|CD1 . 18589 1 435 . 1 1 39 39 LEU N N 15 117.6323 0.002 . 1 . . . . 39 LEU N . 18589 1 436 . 1 1 40 40 GLU H H 1 7.8839 0.001 . 1 . . . . 40 GLU HN . 18589 1 437 . 1 1 40 40 GLU HA H 1 3.9572 0.002 . 1 . . . . 40 GLU HA . 18589 1 438 . 1 1 40 40 GLU HB2 H 1 2.1176 0.003 . 2 . . . . 40 GLU HB1|HB2 . 18589 1 439 . 1 1 40 40 GLU HB3 H 1 2.1925 0.003 . 2 . . . . 40 GLU HB2|HB1 . 18589 1 440 . 1 1 40 40 GLU HG2 H 1 2.1956 0.003 . 2 . . . . 40 GLU HG1|HG2 . 18589 1 441 . 1 1 40 40 GLU HG3 H 1 2.4528 0.001 . 2 . . . . 40 GLU HG2|HG1 . 18589 1 442 . 1 1 40 40 GLU C C 13 179.5789 0 . 1 . . . . 40 GLU C . 18589 1 443 . 1 1 40 40 GLU CA C 13 59.743 0.053 . 1 . . . . 40 GLU CA . 18589 1 444 . 1 1 40 40 GLU CB C 13 29.7707 0.046 . 1 . . . . 40 GLU CB . 18589 1 445 . 1 1 40 40 GLU CG C 13 36.6622 0.063 . 1 . . . . 40 GLU CG . 18589 1 446 . 1 1 40 40 GLU N N 15 119.1213 0.006 . 1 . . . . 40 GLU N . 18589 1 447 . 1 1 41 41 LYS H H 1 7.867 0.001 . 1 . . . . 41 LYS HN . 18589 1 448 . 1 1 41 41 LYS HA H 1 4.1236 0.005 . 1 . . . . 41 LYS HA . 18589 1 449 . 1 1 41 41 LYS HB2 H 1 1.9098 0.004 . 2 . . . . 41 LYS HB1|HB2 . 18589 1 450 . 1 1 41 41 LYS HB3 H 1 1.774 0.004 . 2 . . . . 41 LYS HB2|HB1 . 18589 1 451 . 1 1 41 41 LYS HG2 H 1 1.4675 0.006 . 2 . . . . 41 LYS HG1|HG2 . 18589 1 452 . 1 1 41 41 LYS HG3 H 1 1.5369 0.005 . 2 . . . . 41 LYS HG2|HG1 . 18589 1 453 . 1 1 41 41 LYS HD2 H 1 1.6184 0.003 . 2 . . . . 41 LYS HD1|HD2 . 18589 1 454 . 1 1 41 41 LYS HD3 H 1 1.6884 0.007 . 2 . . . . 41 LYS HD2|HD1 . 18589 1 455 . 1 1 41 41 LYS HE2 H 1 2.9275 0.001 . 2 . . . . 41 LYS HE1|HE2 . 18589 1 456 . 1 1 41 41 LYS HE3 H 1 2.904 0.002 . 2 . . . . 41 LYS HE2|HE1 . 18589 1 457 . 1 1 41 41 LYS C C 13 178.6057 0.007 . 1 . . . . 41 LYS C . 18589 1 458 . 1 1 41 41 LYS CA C 13 59.2703 0.111 . 1 . . . . 41 LYS CA . 18589 1 459 . 1 1 41 41 LYS CB C 13 32.2078 0.102 . 1 . . . . 41 LYS CB . 18589 1 460 . 1 1 41 41 LYS CG C 13 25.1221 0.017 . 1 . . . . 41 LYS CG . 18589 1 461 . 1 1 41 41 LYS CD C 13 29.205 0.021 . 1 . . . . 41 LYS CD . 18589 1 462 . 1 1 41 41 LYS CE C 13 42.2517 0.09 . 1 . . . . 41 LYS CE . 18589 1 463 . 1 1 41 41 LYS N N 15 121.66 0.01 . 1 . . . . 41 LYS N . 18589 1 464 . 1 1 42 42 LEU H H 1 8.7879 0.001 . 1 . . . . 42 LEU HN . 18589 1 465 . 1 1 42 42 LEU HA H 1 3.8927 0.003 . 1 . . . . 42 LEU HA . 18589 1 466 . 1 1 42 42 LEU HB2 H 1 1.0962 0.004 . 2 . . . . 42 LEU HB1|HB2 . 18589 1 467 . 1 1 42 42 LEU HB3 H 1 1.9117 0.004 . 2 . . . . 42 LEU HB2|HB1 . 18589 1 468 . 1 1 42 42 LEU HG H 1 1.8672 0.007 . 1 . . . . 42 LEU HG . 18589 1 469 . 1 1 42 42 LEU HD11 H 1 0.8392 0.006 . 2 . . . . 42 LEU HD1#|HD2# . 18589 1 470 . 1 1 42 42 LEU HD12 H 1 0.8392 0.006 . 2 . . . . 42 LEU HD1#|HD2# . 18589 1 471 . 1 1 42 42 LEU HD13 H 1 0.8392 0.006 . 2 . . . . 42 LEU HD1#|HD2# . 18589 1 472 . 1 1 42 42 LEU HD21 H 1 0.7259 0.004 . 2 . . . . 42 LEU HD2#|HD1# . 18589 1 473 . 1 1 42 42 LEU HD22 H 1 0.7259 0.004 . 2 . . . . 42 LEU HD2#|HD1# . 18589 1 474 . 1 1 42 42 LEU HD23 H 1 0.7259 0.004 . 2 . . . . 42 LEU HD2#|HD1# . 18589 1 475 . 1 1 42 42 LEU C C 13 179.6993 0.006 . 1 . . . . 42 LEU C . 18589 1 476 . 1 1 42 42 LEU CA C 13 57.9654 0.037 . 1 . . . . 42 LEU CA . 18589 1 477 . 1 1 42 42 LEU CB C 13 42.9512 0.024 . 1 . . . . 42 LEU CB . 18589 1 478 . 1 1 42 42 LEU CG C 13 27.026 0.053 . 1 . . . . 42 LEU CG . 18589 1 479 . 1 1 42 42 LEU CD1 C 13 23.5911 0.065 . 2 . . . . 42 LEU CD1|CD2 . 18589 1 480 . 1 1 42 42 LEU CD2 C 13 25.1505 0.057 . 2 . . . . 42 LEU CD2|CD1 . 18589 1 481 . 1 1 42 42 LEU N N 15 119.0199 0.005 . 1 . . . . 42 LEU N . 18589 1 482 . 1 1 43 43 GLU H H 1 8.3924 0.015 . 1 . . . . 43 GLU HN . 18589 1 483 . 1 1 43 43 GLU HA H 1 4.155 0.003 . 1 . . . . 43 GLU HA . 18589 1 484 . 1 1 43 43 GLU HB2 H 1 2.0923 0.003 . 2 . . . . 43 GLU HB1|HB2 . 18589 1 485 . 1 1 43 43 GLU HB3 H 1 1.9442 0.003 . 2 . . . . 43 GLU HB2|HB1 . 18589 1 486 . 1 1 43 43 GLU HG2 H 1 2.3456 0.002 . 2 . . . . 43 GLU HG1|HG2 . 18589 1 487 . 1 1 43 43 GLU HG3 H 1 2.1863 0.002 . 2 . . . . 43 GLU HG2|HG1 . 18589 1 488 . 1 1 43 43 GLU C C 13 180.4151 0.035 . 1 . . . . 43 GLU C . 18589 1 489 . 1 1 43 43 GLU CA C 13 59.4537 0.058 . 1 . . . . 43 GLU CA . 18589 1 490 . 1 1 43 43 GLU CB C 13 29.816 0.019 . 1 . . . . 43 GLU CB . 18589 1 491 . 1 1 43 43 GLU CG C 13 36.688 0.007 . 1 . . . . 43 GLU CG . 18589 1 492 . 1 1 43 43 GLU N N 15 121.204 0.064 . 1 . . . . 43 GLU N . 18589 1 493 . 1 1 44 44 ALA H H 1 8.0964 0.001 . 1 . . . . 44 ALA HN . 18589 1 494 . 1 1 44 44 ALA HA H 1 4.1625 0.001 . 1 . . . . 44 ALA HA . 18589 1 495 . 1 1 44 44 ALA HB1 H 1 1.5728 0.001 . 2 . . . . 44 ALA HB# . 18589 1 496 . 1 1 44 44 ALA HB2 H 1 1.5728 0.001 . 2 . . . . 44 ALA HB# . 18589 1 497 . 1 1 44 44 ALA HB3 H 1 1.5728 0.001 . 2 . . . . 44 ALA HB# . 18589 1 498 . 1 1 44 44 ALA C C 13 179.9313 0.004 . 1 . . . . 44 ALA C . 18589 1 499 . 1 1 44 44 ALA CA C 13 55.1913 0.051 . 1 . . . . 44 ALA CA . 18589 1 500 . 1 1 44 44 ALA CB C 13 17.9147 0.026 . 1 . . . . 44 ALA CB . 18589 1 501 . 1 1 44 44 ALA N N 15 125.1261 0.004 . 1 . . . . 44 ALA N . 18589 1 502 . 1 1 45 45 MET H H 1 7.9568 0.001 . 1 . . . . 45 MET HN . 18589 1 503 . 1 1 45 45 MET HA H 1 4.3343 0.003 . 1 . . . . 45 MET HA . 18589 1 504 . 1 1 45 45 MET HB2 H 1 2.3517 0.003 . 2 . . . . 45 MET HB1|HB2 . 18589 1 505 . 1 1 45 45 MET HB3 H 1 1.9548 0.003 . 2 . . . . 45 MET HB2|HB1 . 18589 1 506 . 1 1 45 45 MET HG2 H 1 2.5565 0.003 . 2 . . . . 45 MET HG1|HG2 . 18589 1 507 . 1 1 45 45 MET HG3 H 1 2.865 0.002 . 2 . . . . 45 MET HG2|HG1 . 18589 1 508 . 1 1 45 45 MET C C 13 176.3966 0.001 . 1 . . . . 45 MET C . 18589 1 509 . 1 1 45 45 MET CA C 13 56.3656 0.012 . 1 . . . . 45 MET CA . 18589 1 510 . 1 1 45 45 MET CB C 13 35.1653 0.062 . 1 . . . . 45 MET CB . 18589 1 511 . 1 1 45 45 MET CG C 13 32.3124 0.008 . 1 . . . . 45 MET CG . 18589 1 512 . 1 1 45 45 MET N N 15 113.9938 0.008 . 1 . . . . 45 MET N . 18589 1 513 . 1 1 46 46 GLY H H 1 8.0031 0.001 . 1 . . . . 46 GLY HN . 18589 1 514 . 1 1 46 46 GLY HA2 H 1 3.9852 0.001 . 2 . . . . 46 GLY HA1|HA2 . 18589 1 515 . 1 1 46 46 GLY HA3 H 1 4.1288 0.001 . 2 . . . . 46 GLY HA2|HA1 . 18589 1 516 . 1 1 46 46 GLY C C 13 175.1493 0 . 1 . . . . 46 GLY C . 18589 1 517 . 1 1 46 46 GLY CA C 13 45.7256 0.03 . 1 . . . . 46 GLY CA . 18589 1 518 . 1 1 46 46 GLY N N 15 107.9732 0.006 . 1 . . . . 46 GLY N . 18589 1 519 . 1 1 47 47 ARG H H 1 8.1445 0.001 . 1 . . . . 47 ARG HN . 18589 1 520 . 1 1 47 47 ARG HA H 1 4.1022 0.006 . 1 . . . . 47 ARG HA . 18589 1 521 . 1 1 47 47 ARG HB2 H 1 1.4895 0.005 . 2 . . . . 47 ARG HB1|HB2 . 18589 1 522 . 1 1 47 47 ARG HB3 H 1 2.2043 0.005 . 2 . . . . 47 ARG HB2|HB1 . 18589 1 523 . 1 1 47 47 ARG HG2 H 1 1.704 0.007 . 2 . . . . 47 ARG HG1|HG2 . 18589 1 524 . 1 1 47 47 ARG HG3 H 1 1.6173 0.009 . 2 . . . . 47 ARG HG2|HG1 . 18589 1 525 . 1 1 47 47 ARG HD2 H 1 3.3813 0.003 . 2 . . . . 47 ARG HD1|HD2 . 18589 1 526 . 1 1 47 47 ARG HD3 H 1 3.0252 0.005 . 2 . . . . 47 ARG HD2|HD1 . 18589 1 527 . 1 1 47 47 ARG C C 13 176.0018 0.002 . 1 . . . . 47 ARG C . 18589 1 528 . 1 1 47 47 ARG CA C 13 57.9047 0.042 . 1 . . . . 47 ARG CA . 18589 1 529 . 1 1 47 47 ARG CB C 13 32.6196 0.017 . 1 . . . . 47 ARG CB . 18589 1 530 . 1 1 47 47 ARG CG C 13 27.6211 0.023 . 1 . . . . 47 ARG CG . 18589 1 531 . 1 1 47 47 ARG CD C 13 43.5591 0.022 . 1 . . . . 47 ARG CD . 18589 1 532 . 1 1 47 47 ARG N N 15 117.9494 0.003 . 1 . . . . 47 ARG N . 18589 1 533 . 1 1 48 48 ILE H H 1 6.8141 0.001 . 1 . . . . 48 ILE HN . 18589 1 534 . 1 1 48 48 ILE HA H 1 4.6267 0.002 . 1 . . . . 48 ILE HA . 18589 1 535 . 1 1 48 48 ILE HB H 1 1.8444 0.003 . 1 . . . . 48 ILE HB . 18589 1 536 . 1 1 48 48 ILE HG12 H 1 0.5036 0.002 . 2 . . . . 48 ILE HG12 . 18589 1 537 . 1 1 48 48 ILE HG13 H 1 0.9238 0.005 . 2 . . . . 48 ILE HG13 . 18589 1 538 . 1 1 48 48 ILE HG21 H 1 0.3234 0.002 . 2 . . . . 48 ILE HG2# . 18589 1 539 . 1 1 48 48 ILE HG22 H 1 0.3234 0.002 . 2 . . . . 48 ILE HG2# . 18589 1 540 . 1 1 48 48 ILE HG23 H 1 0.3234 0.002 . 2 . . . . 48 ILE HG2# . 18589 1 541 . 1 1 48 48 ILE HD11 H 1 0.7781 0.002 . 2 . . . . 48 ILE HD1# . 18589 1 542 . 1 1 48 48 ILE HD12 H 1 0.7781 0.002 . 2 . . . . 48 ILE HD1# . 18589 1 543 . 1 1 48 48 ILE HD13 H 1 0.7781 0.002 . 2 . . . . 48 ILE HD1# . 18589 1 544 . 1 1 48 48 ILE C C 13 174.2421 0.008 . 1 . . . . 48 ILE C . 18589 1 545 . 1 1 48 48 ILE CA C 13 58.5968 0.039 . 1 . . . . 48 ILE CA . 18589 1 546 . 1 1 48 48 ILE CB C 13 41.9767 0.027 . 1 . . . . 48 ILE CB . 18589 1 547 . 1 1 48 48 ILE CG1 C 13 24.82 0.012 . 1 . . . . 48 ILE CG1 . 18589 1 548 . 1 1 48 48 ILE CG2 C 13 14.176 0.029 . 1 . . . . 48 ILE CG2 . 18589 1 549 . 1 1 48 48 ILE CD1 C 13 18.58 0.036 . 1 . . . . 48 ILE CD1 . 18589 1 550 . 1 1 48 48 ILE N N 15 107.1464 0.005 . 1 . . . . 48 ILE N . 18589 1 551 . 1 1 49 49 LYS H H 1 8.6317 0.011 . 1 . . . . 49 LYS HN . 18589 1 552 . 1 1 49 49 LYS HA H 1 4.4432 0.003 . 1 . . . . 49 LYS HA . 18589 1 553 . 1 1 49 49 LYS HB2 H 1 1.6797 0.005 . 2 . . . . 49 LYS HB1|HB2 . 18589 1 554 . 1 1 49 49 LYS HB3 H 1 1.7773 0.002 . 2 . . . . 49 LYS HB2|HB1 . 18589 1 555 . 1 1 49 49 LYS HG2 H 1 1.4233 0.004 . 2 . . . . 49 LYS HG1|HG2 . 18589 1 556 . 1 1 49 49 LYS HG3 H 1 1.3846 0.003 . 2 . . . . 49 LYS HG2|HG1 . 18589 1 557 . 1 1 49 49 LYS HE2 H 1 2.9615 0.002 . 2 . . . . 49 LYS HE1|HE2 . 18589 1 558 . 1 1 49 49 LYS C C 13 176.1944 0.002 . 1 . . . . 49 LYS C . 18589 1 559 . 1 1 49 49 LYS CA C 13 55.4285 0.097 . 1 . . . . 49 LYS CA . 18589 1 560 . 1 1 49 49 LYS CB C 13 33.8679 0.018 . 1 . . . . 49 LYS CB . 18589 1 561 . 1 1 49 49 LYS CG C 13 24.8026 0.034 . 1 . . . . 49 LYS CG . 18589 1 562 . 1 1 49 49 LYS CD C 13 29.0777 0 . 1 . . . . 49 LYS CD . 18589 1 563 . 1 1 49 49 LYS CE C 13 42.3151 0.001 . 1 . . . . 49 LYS CE . 18589 1 564 . 1 1 49 49 LYS N N 15 121.7309 0.077 . 1 . . . . 49 LYS N . 18589 1 565 . 1 1 50 50 ARG H H 1 8.7195 0.001 . 1 . . . . 50 ARG HN . 18589 1 566 . 1 1 50 50 ARG HA H 1 4.289 0.005 . 1 . . . . 50 ARG HA . 18589 1 567 . 1 1 50 50 ARG HB2 H 1 1.7515 0.002 . 2 . . . . 50 ARG HB1|HB2 . 18589 1 568 . 1 1 50 50 ARG HB3 H 1 1.8315 0 . 2 . . . . 50 ARG HB2|HB1 . 18589 1 569 . 1 1 50 50 ARG HG2 H 1 1.6785 0.003 . 2 . . . . 50 ARG HG1|HG2 . 18589 1 570 . 1 1 50 50 ARG HG3 H 1 1.6291 0.001 . 2 . . . . 50 ARG HG2|HG1 . 18589 1 571 . 1 1 50 50 ARG C C 13 176.6875 0.063 . 1 . . . . 50 ARG C . 18589 1 572 . 1 1 50 50 ARG CA C 13 56.56 0.015 . 1 . . . . 50 ARG CA . 18589 1 573 . 1 1 50 50 ARG CB C 13 30.8695 0.034 . 1 . . . . 50 ARG CB . 18589 1 574 . 1 1 50 50 ARG CG C 13 27.1917 0.067 . 1 . . . . 50 ARG CG . 18589 1 575 . 1 1 50 50 ARG CD C 13 43.0691 0 . 1 . . . . 50 ARG CD . 18589 1 576 . 1 1 50 50 ARG N N 15 123.9814 0.006 . 1 . . . . 50 ARG N . 18589 1 577 . 1 1 51 51 ARG H H 1 8.534 0.001 . 1 . . . . 51 ARG HN . 18589 1 578 . 1 1 51 51 ARG C C 13 176.4286 0 . 1 . . . . 51 ARG C . 18589 1 579 . 1 1 51 51 ARG CA C 13 56.5435 0 . 1 . . . . 51 ARG CA . 18589 1 580 . 1 1 51 51 ARG CB C 13 31.1119 0 . 1 . . . . 51 ARG CB . 18589 1 581 . 1 1 51 51 ARG N N 15 124.0216 0 . 1 . . . . 51 ARG N . 18589 1 582 . 1 1 61 61 LEU H H 1 8.4448 0.011 . 1 . . . . 61 LEU HN . 18589 1 583 . 1 1 61 61 LEU HA H 1 4.6083 0.003 . 1 . . . . 61 LEU HA . 18589 1 584 . 1 1 61 61 LEU HB2 H 1 1.7147 0.007 . 2 . . . . 61 LEU HB1|HB2 . 18589 1 585 . 1 1 61 61 LEU HB3 H 1 1.3851 0.007 . 2 . . . . 61 LEU HB2|HB1 . 18589 1 586 . 1 1 61 61 LEU HG H 1 1.6745 0.001 . 1 . . . . 61 LEU HG . 18589 1 587 . 1 1 61 61 LEU HD11 H 1 0.737 0.006 . 2 . . . . 61 LEU HD1#|HD2# . 18589 1 588 . 1 1 61 61 LEU HD12 H 1 0.737 0.006 . 2 . . . . 61 LEU HD1#|HD2# . 18589 1 589 . 1 1 61 61 LEU HD13 H 1 0.737 0.006 . 2 . . . . 61 LEU HD1#|HD2# . 18589 1 590 . 1 1 61 61 LEU HD21 H 1 0.8819 0.002 . 2 . . . . 61 LEU HD2#|HD1# . 18589 1 591 . 1 1 61 61 LEU HD22 H 1 0.8819 0.002 . 2 . . . . 61 LEU HD2#|HD1# . 18589 1 592 . 1 1 61 61 LEU HD23 H 1 0.8819 0.002 . 2 . . . . 61 LEU HD2#|HD1# . 18589 1 593 . 1 1 61 61 LEU C C 13 177.4687 0.015 . 1 . . . . 61 LEU C . 18589 1 594 . 1 1 61 61 LEU CA C 13 54.7969 0.047 . 1 . . . . 61 LEU CA . 18589 1 595 . 1 1 61 61 LEU CB C 13 43.245 0.038 . 1 . . . . 61 LEU CB . 18589 1 596 . 1 1 61 61 LEU CG C 13 27.3305 0 . 1 . . . . 61 LEU CG . 18589 1 597 . 1 1 61 61 LEU CD1 C 13 24.2053 0 . 2 . . . . 61 LEU CD1|CD2 . 18589 1 598 . 1 1 61 61 LEU CD2 C 13 26.57 0 . 2 . . . . 61 LEU CD2|CD1 . 18589 1 599 . 1 1 61 61 LEU N N 15 124.7599 0.14 . 1 . . . . 61 LEU N . 18589 1 600 . 1 1 62 62 THR H H 1 9.1217 0.006 . 1 . . . . 62 THR HN . 18589 1 601 . 1 1 62 62 THR HA H 1 4.4722 0.005 . 1 . . . . 62 THR HA . 18589 1 602 . 1 1 62 62 THR HB H 1 4.8236 0.001 . 1 . . . . 62 THR HB . 18589 1 603 . 1 1 62 62 THR HG21 H 1 1.3369 0 . 2 . . . . 62 THR HG2# . 18589 1 604 . 1 1 62 62 THR HG22 H 1 1.3369 0 . 2 . . . . 62 THR HG2# . 18589 1 605 . 1 1 62 62 THR HG23 H 1 1.3369 0 . 2 . . . . 62 THR HG2# . 18589 1 606 . 1 1 62 62 THR C C 13 175.1811 0.019 . 1 . . . . 62 THR C . 18589 1 607 . 1 1 62 62 THR CA C 13 60.3848 0.044 . 1 . . . . 62 THR CA . 18589 1 608 . 1 1 62 62 THR CB C 13 71.3824 0.023 . 1 . . . . 62 THR CB . 18589 1 609 . 1 1 62 62 THR N N 15 115.1793 0.173 . 1 . . . . 62 THR N . 18589 1 610 . 1 1 63 63 GLU H H 1 9.0554 0.004 . 1 . . . . 63 GLU HN . 18589 1 611 . 1 1 63 63 GLU HA H 1 3.9876 0 . 1 . . . . 63 GLU HA . 18589 1 612 . 1 1 63 63 GLU C C 13 179.5072 0.017 . 1 . . . . 63 GLU C . 18589 1 613 . 1 1 63 63 GLU CA C 13 60.1544 0.11 . 1 . . . . 63 GLU CA . 18589 1 614 . 1 1 63 63 GLU CB C 13 28.981 0.016 . 1 . . . . 63 GLU CB . 18589 1 615 . 1 1 63 63 GLU N N 15 120.1586 0.098 . 1 . . . . 63 GLU N . 18589 1 616 . 1 1 64 64 GLU H H 1 8.7256 0.007 . 1 . . . . 64 GLU HN . 18589 1 617 . 1 1 64 64 GLU HA H 1 4.1212 0.002 . 1 . . . . 64 GLU HA . 18589 1 618 . 1 1 64 64 GLU HB2 H 1 2.0944 0.006 . 2 . . . . 64 GLU HB1|HB2 . 18589 1 619 . 1 1 64 64 GLU HB3 H 1 1.9556 0.003 . 2 . . . . 64 GLU HB2|HB1 . 18589 1 620 . 1 1 64 64 GLU HG2 H 1 2.3713 0.006 . 2 . . . . 64 GLU HG1|HG2 . 18589 1 621 . 1 1 64 64 GLU HG3 H 1 2.2945 0.004 . 2 . . . . 64 GLU HG2|HG1 . 18589 1 622 . 1 1 64 64 GLU C C 13 179.3815 0.014 . 1 . . . . 64 GLU C . 18589 1 623 . 1 1 64 64 GLU CA C 13 59.8974 0.046 . 1 . . . . 64 GLU CA . 18589 1 624 . 1 1 64 64 GLU CB C 13 29.1765 0.066 . 1 . . . . 64 GLU CB . 18589 1 625 . 1 1 64 64 GLU CG C 13 37.1957 0 . 1 . . . . 64 GLU CG . 18589 1 626 . 1 1 64 64 GLU N N 15 119.6318 0.128 . 1 . . . . 64 GLU N . 18589 1 627 . 1 1 65 65 GLU H H 1 7.9328 0.003 . 1 . . . . 65 GLU HN . 18589 1 628 . 1 1 65 65 GLU HA H 1 3.9217 0.004 . 1 . . . . 65 GLU HA . 18589 1 629 . 1 1 65 65 GLU HB2 H 1 1.7636 0.004 . 2 . . . . 65 GLU HB1|HB2 . 18589 1 630 . 1 1 65 65 GLU HB3 H 1 2.4402 0.015 . 2 . . . . 65 GLU HB2|HB1 . 18589 1 631 . 1 1 65 65 GLU HG2 H 1 2.4826 0.005 . 2 . . . . 65 GLU HG1|HG2 . 18589 1 632 . 1 1 65 65 GLU HG3 H 1 2.14 0.004 . 2 . . . . 65 GLU HG2|HG1 . 18589 1 633 . 1 1 65 65 GLU C C 13 178.9267 0.009 . 1 . . . . 65 GLU C . 18589 1 634 . 1 1 65 65 GLU CA C 13 60.0914 0.088 . 1 . . . . 65 GLU CA . 18589 1 635 . 1 1 65 65 GLU CB C 13 30.7536 0.023 . 1 . . . . 65 GLU CB . 18589 1 636 . 1 1 65 65 GLU CG C 13 38.4614 0.029 . 1 . . . . 65 GLU CG . 18589 1 637 . 1 1 65 65 GLU N N 15 121.3811 0.117 . 1 . . . . 65 GLU N . 18589 1 638 . 1 1 66 66 LEU H H 1 8.4089 0.01 . 1 . . . . 66 LEU HN . 18589 1 639 . 1 1 66 66 LEU HA H 1 3.8822 0.004 . 1 . . . . 66 LEU HA . 18589 1 640 . 1 1 66 66 LEU HB2 H 1 1.4996 0.006 . 2 . . . . 66 LEU HB1|HB2 . 18589 1 641 . 1 1 66 66 LEU HB3 H 1 1.9581 0.005 . 2 . . . . 66 LEU HB2|HB1 . 18589 1 642 . 1 1 66 66 LEU HG H 1 1.6885 0.002 . 1 . . . . 66 LEU HG . 18589 1 643 . 1 1 66 66 LEU HD21 H 1 0.8443 0.003 . 2 . . . . 66 LEU HD2#|HD1# . 18589 1 644 . 1 1 66 66 LEU HD22 H 1 0.8443 0.003 . 2 . . . . 66 LEU HD2#|HD1# . 18589 1 645 . 1 1 66 66 LEU HD23 H 1 0.8443 0.003 . 2 . . . . 66 LEU HD2#|HD1# . 18589 1 646 . 1 1 66 66 LEU C C 13 178.168 0.017 . 1 . . . . 66 LEU C . 18589 1 647 . 1 1 66 66 LEU CA C 13 58.612 0.071 . 1 . . . . 66 LEU CA . 18589 1 648 . 1 1 66 66 LEU CB C 13 41.6965 0.092 . 1 . . . . 66 LEU CB . 18589 1 649 . 1 1 66 66 LEU CD2 C 13 25.6325 0 . 2 . . . . 66 LEU CD2|CD1 . 18589 1 650 . 1 1 66 66 LEU N N 15 118.7304 0.131 . 1 . . . . 66 LEU N . 18589 1 651 . 1 1 67 67 ALA H H 1 7.9543 0.004 . 1 . . . . 67 ALA HN . 18589 1 652 . 1 1 67 67 ALA HA H 1 4.1015 0.003 . 1 . . . . 67 ALA HA . 18589 1 653 . 1 1 67 67 ALA HB1 H 1 1.5478 0.002 . 2 . . . . 67 ALA HB# . 18589 1 654 . 1 1 67 67 ALA HB2 H 1 1.5478 0.002 . 2 . . . . 67 ALA HB# . 18589 1 655 . 1 1 67 67 ALA HB3 H 1 1.5478 0.002 . 2 . . . . 67 ALA HB# . 18589 1 656 . 1 1 67 67 ALA C C 13 180.6553 0.007 . 1 . . . . 67 ALA C . 18589 1 657 . 1 1 67 67 ALA CA C 13 55.2576 0.016 . 1 . . . . 67 ALA CA . 18589 1 658 . 1 1 67 67 ALA CB C 13 17.8101 0.015 . 1 . . . . 67 ALA CB . 18589 1 659 . 1 1 67 67 ALA N N 15 120.2153 0.11 . 1 . . . . 67 ALA N . 18589 1 660 . 1 1 68 68 THR H H 1 8.081 0.005 . 1 . . . . 68 THR HN . 18589 1 661 . 1 1 68 68 THR HA H 1 3.9747 0.004 . 1 . . . . 68 THR HA . 18589 1 662 . 1 1 68 68 THR HB H 1 4.3553 0.004 . 1 . . . . 68 THR HB . 18589 1 663 . 1 1 68 68 THR HG21 H 1 1.2232 0.006 . 2 . . . . 68 THR HG2# . 18589 1 664 . 1 1 68 68 THR HG22 H 1 1.2232 0.006 . 2 . . . . 68 THR HG2# . 18589 1 665 . 1 1 68 68 THR HG23 H 1 1.2232 0.006 . 2 . . . . 68 THR HG2# . 18589 1 666 . 1 1 68 68 THR C C 13 175.5246 0.024 . 1 . . . . 68 THR C . 18589 1 667 . 1 1 68 68 THR CA C 13 66.9628 0.143 . 1 . . . . 68 THR CA . 18589 1 668 . 1 1 68 68 THR CB C 13 68.6315 0.159 . 1 . . . . 68 THR CB . 18589 1 669 . 1 1 68 68 THR CG2 C 13 21.6418 0 . 1 . . . . 68 THR CG2 . 18589 1 670 . 1 1 68 68 THR N N 15 117.8672 0.139 . 1 . . . . 68 THR N . 18589 1 671 . 1 1 69 69 ILE H H 1 8.51 0.004 . 1 . . . . 69 ILE HN . 18589 1 672 . 1 1 69 69 ILE HA H 1 3.3727 0.001 . 1 . . . . 69 ILE HA . 18589 1 673 . 1 1 69 69 ILE HB H 1 1.9138 0.004 . 1 . . . . 69 ILE HB . 18589 1 674 . 1 1 69 69 ILE HG12 H 1 1.9028 0.002 . 2 . . . . 69 ILE HG12 . 18589 1 675 . 1 1 69 69 ILE HG13 H 1 0.6744 0.003 . 2 . . . . 69 ILE HG13 . 18589 1 676 . 1 1 69 69 ILE HG21 H 1 0.716 0.005 . 2 . . . . 69 ILE HG2# . 18589 1 677 . 1 1 69 69 ILE HG22 H 1 0.716 0.005 . 2 . . . . 69 ILE HG2# . 18589 1 678 . 1 1 69 69 ILE HG23 H 1 0.716 0.005 . 2 . . . . 69 ILE HG2# . 18589 1 679 . 1 1 69 69 ILE HD11 H 1 0.6475 0.004 . 2 . . . . 69 ILE HD1# . 18589 1 680 . 1 1 69 69 ILE HD12 H 1 0.6475 0.004 . 2 . . . . 69 ILE HD1# . 18589 1 681 . 1 1 69 69 ILE HD13 H 1 0.6475 0.004 . 2 . . . . 69 ILE HD1# . 18589 1 682 . 1 1 69 69 ILE C C 13 176.3742 0.027 . 1 . . . . 69 ILE C . 18589 1 683 . 1 1 69 69 ILE CA C 13 66.6637 0.066 . 1 . . . . 69 ILE CA . 18589 1 684 . 1 1 69 69 ILE CB C 13 37.9331 0.033 . 1 . . . . 69 ILE CB . 18589 1 685 . 1 1 69 69 ILE CG1 C 13 30.1432 0 . 1 . . . . 69 ILE CG1 . 18589 1 686 . 1 1 69 69 ILE CG2 C 13 16.9867 0 . 1 . . . . 69 ILE CG2 . 18589 1 687 . 1 1 69 69 ILE CD1 C 13 15.1423 0 . 1 . . . . 69 ILE CD1 . 18589 1 688 . 1 1 69 69 ILE N N 15 121.638 0.145 . 1 . . . . 69 ILE N . 18589 1 689 . 1 1 70 70 ARG H H 1 7.9521 0.006 . 1 . . . . 70 ARG HN . 18589 1 690 . 1 1 70 70 ARG HA H 1 3.6871 0.004 . 1 . . . . 70 ARG HA . 18589 1 691 . 1 1 70 70 ARG HB2 H 1 1.8638 0.002 . 2 . . . . 70 ARG HB1|HB2 . 18589 1 692 . 1 1 70 70 ARG HB3 H 1 2.0526 0.003 . 2 . . . . 70 ARG HB2|HB1 . 18589 1 693 . 1 1 70 70 ARG HG2 H 1 1.643 0.003 . 2 . . . . 70 ARG HG1|HG2 . 18589 1 694 . 1 1 70 70 ARG HG3 H 1 1.6075 0.011 . 2 . . . . 70 ARG HG2|HG1 . 18589 1 695 . 1 1 70 70 ARG HD2 H 1 3.3179 0.002 . 2 . . . . 70 ARG HD1|HD2 . 18589 1 696 . 1 1 70 70 ARG HD3 H 1 3.2584 0.001 . 2 . . . . 70 ARG HD2|HD1 . 18589 1 697 . 1 1 70 70 ARG C C 13 176.9028 0.013 . 1 . . . . 70 ARG C . 18589 1 698 . 1 1 70 70 ARG CA C 13 60.0889 0.034 . 1 . . . . 70 ARG CA . 18589 1 699 . 1 1 70 70 ARG CB C 13 30.1451 0.063 . 1 . . . . 70 ARG CB . 18589 1 700 . 1 1 70 70 ARG CG C 13 27.8922 0 . 1 . . . . 70 ARG CG . 18589 1 701 . 1 1 70 70 ARG CD C 13 43.5182 0 . 1 . . . . 70 ARG CD . 18589 1 702 . 1 1 70 70 ARG N N 15 117.6735 0.143 . 1 . . . . 70 ARG N . 18589 1 703 . 1 1 71 71 GLU H H 1 7.9814 0.019 . 1 . . . . 71 GLU HN . 18589 1 704 . 1 1 71 71 GLU C C 13 179.5644 0 . 1 . . . . 71 GLU C . 18589 1 705 . 1 1 71 71 GLU CA C 13 59.3676 0.013 . 1 . . . . 71 GLU CA . 18589 1 706 . 1 1 71 71 GLU CB C 13 29.613 0.041 . 1 . . . . 71 GLU CB . 18589 1 707 . 1 1 71 71 GLU CG C 13 35.9066 0 . 1 . . . . 71 GLU CG . 18589 1 708 . 1 1 71 71 GLU N N 15 117.0654 0.114 . 1 . . . . 71 GLU N . 18589 1 709 . 1 1 72 72 LEU H H 1 8.5762 0.003 . 1 . . . . 72 LEU HN . 18589 1 710 . 1 1 72 72 LEU HA H 1 3.9983 0.003 . 1 . . . . 72 LEU HA . 18589 1 711 . 1 1 72 72 LEU HB2 H 1 1.8548 0.008 . 2 . . . . 72 LEU HB1|HB2 . 18589 1 712 . 1 1 72 72 LEU HB3 H 1 1.1937 0.008 . 2 . . . . 72 LEU HB2|HB1 . 18589 1 713 . 1 1 72 72 LEU HG H 1 1.9856 0.004 . 1 . . . . 72 LEU HG . 18589 1 714 . 1 1 72 72 LEU HD11 H 1 0.7417 0.002 . 2 . . . . 72 LEU HD1#|HD2# . 18589 1 715 . 1 1 72 72 LEU HD12 H 1 0.7417 0.002 . 2 . . . . 72 LEU HD1#|HD2# . 18589 1 716 . 1 1 72 72 LEU HD13 H 1 0.7417 0.002 . 2 . . . . 72 LEU HD1#|HD2# . 18589 1 717 . 1 1 72 72 LEU HD21 H 1 0.8359 0.004 . 2 . . . . 72 LEU HD2#|HD1# . 18589 1 718 . 1 1 72 72 LEU HD22 H 1 0.8359 0.004 . 2 . . . . 72 LEU HD2#|HD1# . 18589 1 719 . 1 1 72 72 LEU HD23 H 1 0.8359 0.004 . 2 . . . . 72 LEU HD2#|HD1# . 18589 1 720 . 1 1 72 72 LEU C C 13 179.2891 0.025 . 1 . . . . 72 LEU C . 18589 1 721 . 1 1 72 72 LEU CA C 13 57.6629 0.036 . 1 . . . . 72 LEU CA . 18589 1 722 . 1 1 72 72 LEU CB C 13 42.3801 0.083 . 1 . . . . 72 LEU CB . 18589 1 723 . 1 1 72 72 LEU CG C 13 26.9461 0 . 1 . . . . 72 LEU CG . 18589 1 724 . 1 1 72 72 LEU CD1 C 13 26.393 0 . 2 . . . . 72 LEU CD1|CD2 . 18589 1 725 . 1 1 72 72 LEU CD2 C 13 22.0177 0 . 2 . . . . 72 LEU CD2|CD1 . 18589 1 726 . 1 1 72 72 LEU N N 15 117.5039 0.119 . 1 . . . . 72 LEU N . 18589 1 727 . 1 1 73 73 TYR H H 1 8.7076 0.014 . 1 . . . . 73 TYR HN . 18589 1 728 . 1 1 73 73 TYR HA H 1 4.2227 0.001 . 1 . . . . 73 TYR HA . 18589 1 729 . 1 1 73 73 TYR HB2 H 1 2.9393 0.002 . 2 . . . . 73 TYR HB1|HB2 . 18589 1 730 . 1 1 73 73 TYR HB3 H 1 2.9883 0.003 . 2 . . . . 73 TYR HB2|HB1 . 18589 1 731 . 1 1 73 73 TYR HD1 H 1 6.8647 0.001 . 2 . . . . 73 TYR HD# . 18589 1 732 . 1 1 73 73 TYR HD2 H 1 6.8647 0.001 . 2 . . . . 73 TYR HD# . 18589 1 733 . 1 1 73 73 TYR HE1 H 1 7.1566 0.003 . 2 . . . . 73 TYR HE# . 18589 1 734 . 1 1 73 73 TYR HE2 H 1 7.1566 0.003 . 2 . . . . 73 TYR HE# . 18589 1 735 . 1 1 73 73 TYR C C 13 180.5112 0.029 . 1 . . . . 73 TYR C . 18589 1 736 . 1 1 73 73 TYR CA C 13 62.0193 0.017 . 1 . . . . 73 TYR CA . 18589 1 737 . 1 1 73 73 TYR CB C 13 38.8162 0.095 . 1 . . . . 73 TYR CB . 18589 1 738 . 1 1 73 73 TYR CD1 C 13 133.1805 0 . 2 . . . . 73 TYR CD* . 18589 1 739 . 1 1 73 73 TYR CD2 C 13 133.1805 0 . 2 . . . . 73 TYR CD* . 18589 1 740 . 1 1 73 73 TYR CE1 C 13 118.4935 0.001 . 2 . . . . 73 TYR CE* . 18589 1 741 . 1 1 73 73 TYR CE2 C 13 118.4935 0.001 . 2 . . . . 73 TYR CE* . 18589 1 742 . 1 1 73 73 TYR N N 15 120.8345 0.155 . 1 . . . . 73 TYR N . 18589 1 743 . 1 1 74 74 LEU H H 1 8.5831 0.002 . 1 . . . . 74 LEU HN . 18589 1 744 . 1 1 74 74 LEU HA H 1 4.0747 0.004 . 1 . . . . 74 LEU HA . 18589 1 745 . 1 1 74 74 LEU HB2 H 1 1.5404 0.009 . 2 . . . . 74 LEU HB1|HB2 . 18589 1 746 . 1 1 74 74 LEU HB3 H 1 2.0513 0.011 . 2 . . . . 74 LEU HB2|HB1 . 18589 1 747 . 1 1 74 74 LEU HG H 1 2.0777 0.002 . 1 . . . . 74 LEU HG . 18589 1 748 . 1 1 74 74 LEU HD11 H 1 0.9941 0.006 . 2 . . . . 74 LEU HD1#|HD2# . 18589 1 749 . 1 1 74 74 LEU HD12 H 1 0.9941 0.006 . 2 . . . . 74 LEU HD1#|HD2# . 18589 1 750 . 1 1 74 74 LEU HD13 H 1 0.9941 0.006 . 2 . . . . 74 LEU HD1#|HD2# . 18589 1 751 . 1 1 74 74 LEU HD21 H 1 0.9507 0.004 . 2 . . . . 74 LEU HD2#|HD1# . 18589 1 752 . 1 1 74 74 LEU HD22 H 1 0.9507 0.004 . 2 . . . . 74 LEU HD2#|HD1# . 18589 1 753 . 1 1 74 74 LEU HD23 H 1 0.9507 0.004 . 2 . . . . 74 LEU HD2#|HD1# . 18589 1 754 . 1 1 74 74 LEU C C 13 178.9302 0.016 . 1 . . . . 74 LEU C . 18589 1 755 . 1 1 74 74 LEU CA C 13 57.6736 0.123 . 1 . . . . 74 LEU CA . 18589 1 756 . 1 1 74 74 LEU CB C 13 41.2024 0.043 . 1 . . . . 74 LEU CB . 18589 1 757 . 1 1 74 74 LEU CG C 13 27.018 0 . 1 . . . . 74 LEU CG . 18589 1 758 . 1 1 74 74 LEU CD1 C 13 22.3302 0 . 2 . . . . 74 LEU CD1|CD2 . 18589 1 759 . 1 1 74 74 LEU CD2 C 13 25.7679 0 . 2 . . . . 74 LEU CD2|CD1 . 18589 1 760 . 1 1 74 74 LEU N N 15 120.3325 0.137 . 1 . . . . 74 LEU N . 18589 1 761 . 1 1 75 75 LYS H H 1 7.5305 0.01 . 1 . . . . 75 LYS HN . 18589 1 762 . 1 1 75 75 LYS HA H 1 4.3231 0.005 . 1 . . . . 75 LYS HA . 18589 1 763 . 1 1 75 75 LYS HB2 H 1 1.9712 0.005 . 2 . . . . 75 LYS HB1|HB2 . 18589 1 764 . 1 1 75 75 LYS HG2 H 1 1.6629 0.004 . 2 . . . . 75 LYS HG1|HG2 . 18589 1 765 . 1 1 75 75 LYS HD2 H 1 1.675 0.008 . 2 . . . . 75 LYS HD1|HD2 . 18589 1 766 . 1 1 75 75 LYS HE2 H 1 2.9864 0.008 . 2 . . . . 75 LYS HE1|HE2 . 18589 1 767 . 1 1 75 75 LYS C C 13 176.7738 0.037 . 1 . . . . 75 LYS C . 18589 1 768 . 1 1 75 75 LYS CA C 13 56.7227 0.089 . 1 . . . . 75 LYS CA . 18589 1 769 . 1 1 75 75 LYS CB C 13 32.7543 0.059 . 1 . . . . 75 LYS CB . 18589 1 770 . 1 1 75 75 LYS CG C 13 25.3847 0.079 . 1 . . . . 75 LYS CG . 18589 1 771 . 1 1 75 75 LYS CD C 13 29.5483 0.107 . 1 . . . . 75 LYS CD . 18589 1 772 . 1 1 75 75 LYS CE C 13 41.2875 0 . 1 . . . . 75 LYS CE . 18589 1 773 . 1 1 75 75 LYS N N 15 117.3208 0.149 . 1 . . . . 75 LYS N . 18589 1 774 . 1 1 76 76 GLY H H 1 7.6489 0.004 . 1 . . . . 76 GLY HN . 18589 1 775 . 1 1 76 76 GLY HA2 H 1 3.5042 0.019 . 2 . . . . 76 GLY HA1|HA2 . 18589 1 776 . 1 1 76 76 GLY HA3 H 1 4.2142 0.004 . 2 . . . . 76 GLY HA2|HA1 . 18589 1 777 . 1 1 76 76 GLY C C 13 174.6603 0 . 1 . . . . 76 GLY C . 18589 1 778 . 1 1 76 76 GLY CA C 13 45.2054 0.032 . 1 . . . . 76 GLY CA . 18589 1 779 . 1 1 76 76 GLY N N 15 106.636 0.099 . 1 . . . . 76 GLY N . 18589 1 780 . 1 1 77 77 ALA H H 1 7.8315 0.014 . 1 . . . . 77 ALA HN . 18589 1 781 . 1 1 77 77 ALA HA H 1 4.4417 0.003 . 1 . . . . 77 ALA HA . 18589 1 782 . 1 1 77 77 ALA HB1 H 1 1.2369 0.003 . 2 . . . . 77 ALA HB# . 18589 1 783 . 1 1 77 77 ALA HB2 H 1 1.2369 0.003 . 2 . . . . 77 ALA HB# . 18589 1 784 . 1 1 77 77 ALA HB3 H 1 1.2369 0.003 . 2 . . . . 77 ALA HB# . 18589 1 785 . 1 1 77 77 ALA C C 13 177.3798 0.009 . 1 . . . . 77 ALA C . 18589 1 786 . 1 1 77 77 ALA CA C 13 52.3018 0.039 . 1 . . . . 77 ALA CA . 18589 1 787 . 1 1 77 77 ALA CB C 13 19.7875 0.043 . 1 . . . . 77 ALA CB . 18589 1 788 . 1 1 77 77 ALA N N 15 123.7614 0.124 . 1 . . . . 77 ALA N . 18589 1 789 . 1 1 78 78 THR H H 1 8.3572 0.013 . 1 . . . . 78 THR HN . 18589 1 790 . 1 1 78 78 THR HA H 1 4.4784 0.001 . 1 . . . . 78 THR HA . 18589 1 791 . 1 1 78 78 THR HB H 1 4.7686 0.005 . 1 . . . . 78 THR HB . 18589 1 792 . 1 1 78 78 THR HG21 H 1 1.3829 0 . 2 . . . . 78 THR HG2# . 18589 1 793 . 1 1 78 78 THR HG22 H 1 1.3829 0 . 2 . . . . 78 THR HG2# . 18589 1 794 . 1 1 78 78 THR HG23 H 1 1.3829 0 . 2 . . . . 78 THR HG2# . 18589 1 795 . 1 1 78 78 THR C C 13 175.573 0.025 . 1 . . . . 78 THR C . 18589 1 796 . 1 1 78 78 THR CA C 13 60.2018 0.037 . 1 . . . . 78 THR CA . 18589 1 797 . 1 1 78 78 THR CB C 13 71.1599 0.098 . 1 . . . . 78 THR CB . 18589 1 798 . 1 1 78 78 THR N N 15 110.5566 0.106 . 1 . . . . 78 THR N . 18589 1 799 . 1 1 79 79 VAL H H 1 8.8673 0.005 . 1 . . . . 79 VAL HN . 18589 1 800 . 1 1 79 79 VAL HA H 1 3.3748 0.001 . 1 . . . . 79 VAL HA . 18589 1 801 . 1 1 79 79 VAL HB H 1 1.9274 0.003 . 1 . . . . 79 VAL HB . 18589 1 802 . 1 1 79 79 VAL HG11 H 1 0.8312 0.008 . 2 . . . . 79 VAL HG1#|HG2# . 18589 1 803 . 1 1 79 79 VAL HG12 H 1 0.8312 0.008 . 2 . . . . 79 VAL HG1#|HG2# . 18589 1 804 . 1 1 79 79 VAL HG13 H 1 0.8312 0.008 . 2 . . . . 79 VAL HG1#|HG2# . 18589 1 805 . 1 1 79 79 VAL HG21 H 1 0.4572 0.006 . 2 . . . . 79 VAL HG2#|HG1# . 18589 1 806 . 1 1 79 79 VAL HG22 H 1 0.4572 0.006 . 2 . . . . 79 VAL HG2#|HG1# . 18589 1 807 . 1 1 79 79 VAL HG23 H 1 0.4572 0.006 . 2 . . . . 79 VAL HG2#|HG1# . 18589 1 808 . 1 1 79 79 VAL C C 13 177.0029 0.026 . 1 . . . . 79 VAL C . 18589 1 809 . 1 1 79 79 VAL CA C 13 67.8718 0.066 . 1 . . . . 79 VAL CA . 18589 1 810 . 1 1 79 79 VAL CB C 13 30.4557 0 . 1 . . . . 79 VAL CB . 18589 1 811 . 1 1 79 79 VAL CG1 C 13 23.2678 0 . 2 . . . . 79 VAL CG1|CG2 . 18589 1 812 . 1 1 79 79 VAL CG2 C 13 20.4551 0 . 2 . . . . 79 VAL CG2|CG1 . 18589 1 813 . 1 1 79 79 VAL N N 15 120.2793 0.124 . 1 . . . . 79 VAL N . 18589 1 814 . 1 1 80 80 TYR H H 1 8.0952 0.004 . 1 . . . . 80 TYR HN . 18589 1 815 . 1 1 80 80 TYR HA H 1 4.0692 0.004 . 1 . . . . 80 TYR HA . 18589 1 816 . 1 1 80 80 TYR HB2 H 1 2.9133 0.005 . 2 . . . . 80 TYR HB1|HB2 . 18589 1 817 . 1 1 80 80 TYR HB3 H 1 3.2028 0.002 . 2 . . . . 80 TYR HB2|HB1 . 18589 1 818 . 1 1 80 80 TYR HD1 H 1 7.1561 0.002 . 2 . . . . 80 TYR HD# . 18589 1 819 . 1 1 80 80 TYR HD2 H 1 7.1561 0.002 . 2 . . . . 80 TYR HD# . 18589 1 820 . 1 1 80 80 TYR HE1 H 1 6.8569 0.001 . 2 . . . . 80 TYR HE# . 18589 1 821 . 1 1 80 80 TYR HE2 H 1 6.8569 0.001 . 2 . . . . 80 TYR HE# . 18589 1 822 . 1 1 80 80 TYR C C 13 177.3718 0.002 . 1 . . . . 80 TYR C . 18589 1 823 . 1 1 80 80 TYR CA C 13 61.3231 0.073 . 1 . . . . 80 TYR CA . 18589 1 824 . 1 1 80 80 TYR CB C 13 38.2897 0.038 . 1 . . . . 80 TYR CB . 18589 1 825 . 1 1 80 80 TYR CD1 C 13 133.1805 0 . 2 . . . . 80 TYR CD* . 18589 1 826 . 1 1 80 80 TYR CD2 C 13 133.1805 0 . 2 . . . . 80 TYR CD* . 18589 1 827 . 1 1 80 80 TYR CE1 C 13 118.0472 0 . 2 . . . . 80 TYR CE* . 18589 1 828 . 1 1 80 80 TYR CE2 C 13 118.0472 0 . 2 . . . . 80 TYR CE* . 18589 1 829 . 1 1 80 80 TYR N N 15 117.9043 0.165 . 1 . . . . 80 TYR N . 18589 1 830 . 1 1 81 81 GLU H H 1 7.7466 0.005 . 1 . . . . 81 GLU HN . 18589 1 831 . 1 1 81 81 GLU HA H 1 3.8639 0.002 . 1 . . . . 81 GLU HA . 18589 1 832 . 1 1 81 81 GLU HB2 H 1 2.3794 0.002 . 2 . . . . 81 GLU HB1|HB2 . 18589 1 833 . 1 1 81 81 GLU HB3 H 1 2.0194 0.003 . 2 . . . . 81 GLU HB2|HB1 . 18589 1 834 . 1 1 81 81 GLU HG2 H 1 2.4322 0.001 . 2 . . . . 81 GLU HG1|HG2 . 18589 1 835 . 1 1 81 81 GLU HG3 H 1 2.3961 0.001 . 2 . . . . 81 GLU HG2|HG1 . 18589 1 836 . 1 1 81 81 GLU C C 13 179.5528 0.004 . 1 . . . . 81 GLU C . 18589 1 837 . 1 1 81 81 GLU CA C 13 58.8687 0.034 . 1 . . . . 81 GLU CA . 18589 1 838 . 1 1 81 81 GLU CB C 13 29.8339 0.074 . 1 . . . . 81 GLU CB . 18589 1 839 . 1 1 81 81 GLU CG C 13 36.8831 0 . 1 . . . . 81 GLU CG . 18589 1 840 . 1 1 81 81 GLU N N 15 119.5617 0.172 . 1 . . . . 81 GLU N . 18589 1 841 . 1 1 82 82 ILE H H 1 8.6027 0.003 . 1 . . . . 82 ILE HN . 18589 1 842 . 1 1 82 82 ILE HA H 1 3.3863 0.009 . 1 . . . . 82 ILE HA . 18589 1 843 . 1 1 82 82 ILE HB H 1 1.8097 0.005 . 1 . . . . 82 ILE HB . 18589 1 844 . 1 1 82 82 ILE HG12 H 1 0.7782 0.003 . 2 . . . . 82 ILE HG12 . 18589 1 845 . 1 1 82 82 ILE HG13 H 1 2.0477 0.003 . 2 . . . . 82 ILE HG13 . 18589 1 846 . 1 1 82 82 ILE HG21 H 1 0.8588 0.003 . 2 . . . . 82 ILE HG2# . 18589 1 847 . 1 1 82 82 ILE HG22 H 1 0.8588 0.003 . 2 . . . . 82 ILE HG2# . 18589 1 848 . 1 1 82 82 ILE HG23 H 1 0.8588 0.003 . 2 . . . . 82 ILE HG2# . 18589 1 849 . 1 1 82 82 ILE HD11 H 1 0.8022 0.002 . 2 . . . . 82 ILE HD1# . 18589 1 850 . 1 1 82 82 ILE HD12 H 1 0.8022 0.002 . 2 . . . . 82 ILE HD1# . 18589 1 851 . 1 1 82 82 ILE HD13 H 1 0.8022 0.002 . 2 . . . . 82 ILE HD1# . 18589 1 852 . 1 1 82 82 ILE C C 13 177.0901 0.024 . 1 . . . . 82 ILE C . 18589 1 853 . 1 1 82 82 ILE CA C 13 66.0602 0.053 . 1 . . . . 82 ILE CA . 18589 1 854 . 1 1 82 82 ILE CB C 13 38.5548 0.053 . 1 . . . . 82 ILE CB . 18589 1 855 . 1 1 82 82 ILE CG1 C 13 28.8931 0 . 1 . . . . 82 ILE CG1 . 18589 1 856 . 1 1 82 82 ILE CG2 C 13 19.3821 0 . 1 . . . . 82 ILE CG2 . 18589 1 857 . 1 1 82 82 ILE CD1 C 13 13.2672 0 . 1 . . . . 82 ILE CD1 . 18589 1 858 . 1 1 82 82 ILE N N 15 120.8322 0.15 . 1 . . . . 82 ILE N . 18589 1 859 . 1 1 83 83 ALA H H 1 8.6313 0.003 . 1 . . . . 83 ALA HN . 18589 1 860 . 1 1 83 83 ALA HA H 1 3.6255 0.013 . 1 . . . . 83 ALA HA . 18589 1 861 . 1 1 83 83 ALA HB1 H 1 1.4963 0.004 . 2 . . . . 83 ALA HB# . 18589 1 862 . 1 1 83 83 ALA HB2 H 1 1.4963 0.004 . 2 . . . . 83 ALA HB# . 18589 1 863 . 1 1 83 83 ALA HB3 H 1 1.4963 0.004 . 2 . . . . 83 ALA HB# . 18589 1 864 . 1 1 83 83 ALA C C 13 179.5527 0.011 . 1 . . . . 83 ALA C . 18589 1 865 . 1 1 83 83 ALA CA C 13 56.1455 0.059 . 1 . . . . 83 ALA CA . 18589 1 866 . 1 1 83 83 ALA CB C 13 18.0045 0.022 . 1 . . . . 83 ALA CB . 18589 1 867 . 1 1 83 83 ALA N N 15 121.6114 0.161 . 1 . . . . 83 ALA N . 18589 1 868 . 1 1 84 84 ARG H H 1 7.8543 0.004 . 1 . . . . 84 ARG HN . 18589 1 869 . 1 1 84 84 ARG HA H 1 3.9382 0.009 . 1 . . . . 84 ARG HA . 18589 1 870 . 1 1 84 84 ARG HB2 H 1 1.6255 0.005 . 2 . . . . 84 ARG HB1|HB2 . 18589 1 871 . 1 1 84 84 ARG HB3 H 1 1.8014 0.004 . 2 . . . . 84 ARG HB2|HB1 . 18589 1 872 . 1 1 84 84 ARG HG2 H 1 1.5186 0.004 . 2 . . . . 84 ARG HG1|HG2 . 18589 1 873 . 1 1 84 84 ARG HG3 H 1 1.4407 0.003 . 2 . . . . 84 ARG HG2|HG1 . 18589 1 874 . 1 1 84 84 ARG HD2 H 1 2.9757 0.003 . 2 . . . . 84 ARG HD1|HD2 . 18589 1 875 . 1 1 84 84 ARG HD3 H 1 3.0999 0.004 . 2 . . . . 84 ARG HD2|HD1 . 18589 1 876 . 1 1 84 84 ARG C C 13 179.4188 0.031 . 1 . . . . 84 ARG C . 18589 1 877 . 1 1 84 84 ARG CA C 13 58.6094 0.04 . 1 . . . . 84 ARG CA . 18589 1 878 . 1 1 84 84 ARG CB C 13 29.5431 0.077 . 1 . . . . 84 ARG CB . 18589 1 879 . 1 1 84 84 ARG CG C 13 26.6851 0.058 . 1 . . . . 84 ARG CG . 18589 1 880 . 1 1 84 84 ARG CD C 13 42.9565 0 . 1 . . . . 84 ARG CD . 18589 1 881 . 1 1 84 84 ARG N N 15 116.3321 0.11 . 1 . . . . 84 ARG N . 18589 1 882 . 1 1 85 85 GLN H H 1 8.0702 0.005 . 1 . . . . 85 GLN HN . 18589 1 883 . 1 1 85 85 GLN HA H 1 3.9917 0.003 . 1 . . . . 85 GLN HA . 18589 1 884 . 1 1 85 85 GLN HB2 H 1 1.989 0.004 . 2 . . . . 85 GLN HB1|HB2 . 18589 1 885 . 1 1 85 85 GLN HB3 H 1 2.1258 0.006 . 2 . . . . 85 GLN HB2|HB1 . 18589 1 886 . 1 1 85 85 GLN HG2 H 1 2.2872 0.004 . 2 . . . . 85 GLN HG1|HG2 . 18589 1 887 . 1 1 85 85 GLN HG3 H 1 2.4307 0.003 . 2 . . . . 85 GLN HG2|HG1 . 18589 1 888 . 1 1 85 85 GLN C C 13 177.8232 0.015 . 1 . . . . 85 GLN C . 18589 1 889 . 1 1 85 85 GLN CA C 13 58.9383 0.038 . 1 . . . . 85 GLN CA . 18589 1 890 . 1 1 85 85 GLN CB C 13 27.9584 0.008 . 1 . . . . 85 GLN CB . 18589 1 891 . 1 1 85 85 GLN CG C 13 33.8777 0.05 . 1 . . . . 85 GLN CG . 18589 1 892 . 1 1 85 85 GLN N N 15 119.0563 0.137 . 1 . . . . 85 GLN N . 18589 1 893 . 1 1 86 86 LEU H H 1 8.1201 0.005 . 1 . . . . 86 LEU HN . 18589 1 894 . 1 1 86 86 LEU HA H 1 4.3441 0.031 . 1 . . . . 86 LEU HA . 18589 1 895 . 1 1 86 86 LEU HB2 H 1 1.1161 0.185 . 2 . . . . 86 LEU HB1|HB2 . 18589 1 896 . 1 1 86 86 LEU HB3 H 1 1.3814 0.124 . 2 . . . . 86 LEU HB2|HB1 . 18589 1 897 . 1 1 86 86 LEU HG H 1 1.4586 0.004 . 1 . . . . 86 LEU HG . 18589 1 898 . 1 1 86 86 LEU HD11 H 1 0.8494 0.006 . 2 . . . . 86 LEU HD1#|HD2# . 18589 1 899 . 1 1 86 86 LEU HD12 H 1 0.8494 0.006 . 2 . . . . 86 LEU HD1#|HD2# . 18589 1 900 . 1 1 86 86 LEU HD13 H 1 0.8494 0.006 . 2 . . . . 86 LEU HD1#|HD2# . 18589 1 901 . 1 1 86 86 LEU HD21 H 1 0.742 0.003 . 2 . . . . 86 LEU HD2#|HD1# . 18589 1 902 . 1 1 86 86 LEU HD22 H 1 0.742 0.003 . 2 . . . . 86 LEU HD2#|HD1# . 18589 1 903 . 1 1 86 86 LEU HD23 H 1 0.742 0.003 . 2 . . . . 86 LEU HD2#|HD1# . 18589 1 904 . 1 1 86 86 LEU C C 13 177.6666 0.031 . 1 . . . . 86 LEU C . 18589 1 905 . 1 1 86 86 LEU CA C 13 54.6889 0 . 1 . . . . 86 LEU CA . 18589 1 906 . 1 1 86 86 LEU CB C 13 41.6509 0.08 . 1 . . . . 86 LEU CB . 18589 1 907 . 1 1 86 86 LEU CG C 13 26.7055 0 . 1 . . . . 86 LEU CG . 18589 1 908 . 1 1 86 86 LEU CD1 C 13 22.6428 0 . 2 . . . . 86 LEU CD1|CD2 . 18589 1 909 . 1 1 86 86 LEU CD2 C 13 26.0805 0 . 2 . . . . 86 LEU CD2|CD1 . 18589 1 910 . 1 1 86 86 LEU N N 15 116.864 0.158 . 1 . . . . 86 LEU N . 18589 1 911 . 1 1 87 87 GLY H H 1 8.0153 0.005 . 1 . . . . 87 GLY HN . 18589 1 912 . 1 1 87 87 GLY HA2 H 1 3.8799 0.004 . 2 . . . . 87 GLY HA1|HA2 . 18589 1 913 . 1 1 87 87 GLY HA3 H 1 3.9226 0.001 . 2 . . . . 87 GLY HA2|HA1 . 18589 1 914 . 1 1 87 87 GLY C C 13 174.6086 0 . 1 . . . . 87 GLY C . 18589 1 915 . 1 1 87 87 GLY CA C 13 46.9225 0.017 . 1 . . . . 87 GLY CA . 18589 1 916 . 1 1 87 87 GLY N N 15 110.7694 0.169 . 1 . . . . 87 GLY N . 18589 1 917 . 1 1 88 88 ARG H H 1 7.9084 0.008 . 1 . . . . 88 ARG HN . 18589 1 918 . 1 1 88 88 ARG HA H 1 4.9031 0.005 . 1 . . . . 88 ARG HA . 18589 1 919 . 1 1 88 88 ARG HB2 H 1 1.2443 0.004 . 2 . . . . 88 ARG HB1|HB2 . 18589 1 920 . 1 1 88 88 ARG HB3 H 1 1.7876 0.005 . 2 . . . . 88 ARG HB2|HB1 . 18589 1 921 . 1 1 88 88 ARG HG2 H 1 1.4008 0.007 . 2 . . . . 88 ARG HG1|HG2 . 18589 1 922 . 1 1 88 88 ARG HG3 H 1 1.6562 0.005 . 2 . . . . 88 ARG HG2|HG1 . 18589 1 923 . 1 1 88 88 ARG HD2 H 1 2.9969 0.006 . 2 . . . . 88 ARG HD1|HD2 . 18589 1 924 . 1 1 88 88 ARG HD3 H 1 3.3194 0.004 . 2 . . . . 88 ARG HD2|HD1 . 18589 1 925 . 1 1 88 88 ARG C C 13 182.4137 0 . 1 . . . . 88 ARG C . 18589 1 926 . 1 1 88 88 ARG CA C 13 51.0864 0 . 1 . . . . 88 ARG CA . 18589 1 927 . 1 1 88 88 ARG CB C 13 33.8867 0.023 . 1 . . . . 88 ARG CB . 18589 1 928 . 1 1 88 88 ARG CG C 13 26.7055 0 . 1 . . . . 88 ARG CG . 18589 1 929 . 1 1 88 88 ARG CD C 13 43.269 0 . 1 . . . . 88 ARG CD . 18589 1 930 . 1 1 88 88 ARG N N 15 116.8841 0.14 . 1 . . . . 88 ARG N . 18589 1 931 . 1 1 90 90 GLU CA C 13 61.276 0 . 1 . . . . 90 GLU CA . 18589 1 932 . 1 1 91 91 SER H H 1 8.8071 0.011 . 1 . . . . 91 SER HN . 18589 1 933 . 1 1 91 91 SER HB2 H 1 4.2907 0.003 . 2 . . . . 91 SER HB1|HB2 . 18589 1 934 . 1 1 91 91 SER HB3 H 1 4.0019 0 . 2 . . . . 91 SER HB2|HB1 . 18589 1 935 . 1 1 91 91 SER C C 13 177.3292 0 . 1 . . . . 91 SER C . 18589 1 936 . 1 1 91 91 SER CA C 13 61.3951 0 . 1 . . . . 91 SER CA . 18589 1 937 . 1 1 91 91 SER N N 15 112.2491 0.109 . 1 . . . . 91 SER N . 18589 1 938 . 1 1 92 92 THR H H 1 7.3495 0.012 . 1 . . . . 92 THR HN . 18589 1 939 . 1 1 92 92 THR HA H 1 4.1589 0.016 . 1 . . . . 92 THR HA . 18589 1 940 . 1 1 92 92 THR HB H 1 4.222 0.002 . 1 . . . . 92 THR HB . 18589 1 941 . 1 1 92 92 THR HG21 H 1 1.2932 0.006 . 2 . . . . 92 THR HG2# . 18589 1 942 . 1 1 92 92 THR HG22 H 1 1.2932 0.006 . 2 . . . . 92 THR HG2# . 18589 1 943 . 1 1 92 92 THR HG23 H 1 1.2932 0.006 . 2 . . . . 92 THR HG2# . 18589 1 944 . 1 1 92 92 THR C C 13 175.4275 0.015 . 1 . . . . 92 THR C . 18589 1 945 . 1 1 92 92 THR CA C 13 66.0311 0.043 . 1 . . . . 92 THR CA . 18589 1 946 . 1 1 92 92 THR CB C 13 68.5197 0.11 . 1 . . . . 92 THR CB . 18589 1 947 . 1 1 92 92 THR CG2 C 13 22.8198 0 . 1 . . . . 92 THR CG2 . 18589 1 948 . 1 1 92 92 THR N N 15 119.5993 0.157 . 1 . . . . 92 THR N . 18589 1 949 . 1 1 93 93 ILE H H 1 7.4604 0.005 . 1 . . . . 93 ILE HN . 18589 1 950 . 1 1 93 93 ILE HA H 1 3.6703 0.008 . 1 . . . . 93 ILE HA . 18589 1 951 . 1 1 93 93 ILE HB H 1 2.2941 0.004 . 1 . . . . 93 ILE HB . 18589 1 952 . 1 1 93 93 ILE HG12 H 1 1.8108 0.005 . 2 . . . . 93 ILE HG12 . 18589 1 953 . 1 1 93 93 ILE HG13 H 1 0.9941 0.008 . 2 . . . . 93 ILE HG13 . 18589 1 954 . 1 1 93 93 ILE HG21 H 1 0.8186 0.006 . 2 . . . . 93 ILE HG2# . 18589 1 955 . 1 1 93 93 ILE HG22 H 1 0.8186 0.006 . 2 . . . . 93 ILE HG2# . 18589 1 956 . 1 1 93 93 ILE HG23 H 1 0.8186 0.006 . 2 . . . . 93 ILE HG2# . 18589 1 957 . 1 1 93 93 ILE HD11 H 1 0.4947 0.005 . 2 . . . . 93 ILE HD1# . 18589 1 958 . 1 1 93 93 ILE HD12 H 1 0.4947 0.005 . 2 . . . . 93 ILE HD1# . 18589 1 959 . 1 1 93 93 ILE HD13 H 1 0.4947 0.005 . 2 . . . . 93 ILE HD1# . 18589 1 960 . 1 1 93 93 ILE C C 13 177.5597 0.009 . 1 . . . . 93 ILE C . 18589 1 961 . 1 1 93 93 ILE CA C 13 61.7078 0.012 . 1 . . . . 93 ILE CA . 18589 1 962 . 1 1 93 93 ILE CB C 13 33.5547 0.052 . 1 . . . . 93 ILE CB . 18589 1 963 . 1 1 93 93 ILE CG1 C 13 26.393 0 . 1 . . . . 93 ILE CG1 . 18589 1 964 . 1 1 93 93 ILE CG2 C 13 18.2675 0 . 1 . . . . 93 ILE CG2 . 18589 1 965 . 1 1 93 93 ILE CD1 C 13 9.0689 0 . 1 . . . . 93 ILE CD1 . 18589 1 966 . 1 1 93 93 ILE N N 15 120.8474 0.143 . 1 . . . . 93 ILE N . 18589 1 967 . 1 1 94 94 TYR H H 1 8.6057 0.003 . 1 . . . . 94 TYR HN . 18589 1 968 . 1 1 94 94 TYR HA H 1 4.0692 0.004 . 1 . . . . 94 TYR HA . 18589 1 969 . 1 1 94 94 TYR HB2 H 1 3.074 0 . 2 . . . . 94 TYR HB1|HB2 . 18589 1 970 . 1 1 94 94 TYR HB3 H 1 2.9194 0.005 . 2 . . . . 94 TYR HB2|HB1 . 18589 1 971 . 1 1 94 94 TYR C C 13 178.4823 0 . 1 . . . . 94 TYR C . 18589 1 972 . 1 1 94 94 TYR CA C 13 63.2195 0.041 . 1 . . . . 94 TYR CA . 18589 1 973 . 1 1 94 94 TYR CB C 13 37.937 0.031 . 1 . . . . 94 TYR CB . 18589 1 974 . 1 1 94 94 TYR N N 15 118.9886 0.109 . 1 . . . . 94 TYR N . 18589 1 975 . 1 1 95 95 TYR H H 1 7.8286 0.012 . 1 . . . . 95 TYR HN . 18589 1 976 . 1 1 95 95 TYR HA H 1 4.2286 0.002 . 1 . . . . 95 TYR HA . 18589 1 977 . 1 1 95 95 TYR HB2 H 1 3.2118 0.002 . 2 . . . . 95 TYR HB1|HB2 . 18589 1 978 . 1 1 95 95 TYR HB3 H 1 3.2632 0.001 . 2 . . . . 95 TYR HB2|HB1 . 18589 1 979 . 1 1 95 95 TYR C C 13 177.3052 0.036 . 1 . . . . 95 TYR C . 18589 1 980 . 1 1 95 95 TYR CA C 13 61.3602 0.061 . 1 . . . . 95 TYR CA . 18589 1 981 . 1 1 95 95 TYR CB C 13 37.6437 0 . 1 . . . . 95 TYR CB . 18589 1 982 . 1 1 95 95 TYR N N 15 118.6124 0.124 . 1 . . . . 95 TYR N . 18589 1 983 . 1 1 96 96 ALA H H 1 8.1535 0.005 . 1 . . . . 96 ALA HN . 18589 1 984 . 1 1 96 96 ALA HA H 1 3.705 0.003 . 1 . . . . 96 ALA HA . 18589 1 985 . 1 1 96 96 ALA HB1 H 1 1.4899 0.001 . 2 . . . . 96 ALA HB# . 18589 1 986 . 1 1 96 96 ALA HB2 H 1 1.4899 0.001 . 2 . . . . 96 ALA HB# . 18589 1 987 . 1 1 96 96 ALA HB3 H 1 1.4899 0.001 . 2 . . . . 96 ALA HB# . 18589 1 988 . 1 1 96 96 ALA C C 13 178.8696 0.001 . 1 . . . . 96 ALA C . 18589 1 989 . 1 1 96 96 ALA CA C 13 54.8691 0.083 . 1 . . . . 96 ALA CA . 18589 1 990 . 1 1 96 96 ALA CB C 13 19.2592 0.058 . 1 . . . . 96 ALA CB . 18589 1 991 . 1 1 96 96 ALA N N 15 122.6105 0.137 . 1 . . . . 96 ALA N . 18589 1 992 . 1 1 97 97 LEU H H 1 8.3872 0.004 . 1 . . . . 97 LEU HN . 18589 1 993 . 1 1 97 97 LEU HA H 1 3.7118 0 . 1 . . . . 97 LEU HA . 18589 1 994 . 1 1 97 97 LEU HB2 H 1 1.7788 0 . 2 . . . . 97 LEU HB1|HB2 . 18589 1 995 . 1 1 97 97 LEU HB3 H 1 1.0997 0 . 2 . . . . 97 LEU HB2|HB1 . 18589 1 996 . 1 1 97 97 LEU HD21 H 1 0.4205 0 . 2 . . . . 97 LEU HD2#|HD1# . 18589 1 997 . 1 1 97 97 LEU HD22 H 1 0.4205 0 . 2 . . . . 97 LEU HD2#|HD1# . 18589 1 998 . 1 1 97 97 LEU HD23 H 1 0.4205 0 . 2 . . . . 97 LEU HD2#|HD1# . 18589 1 999 . 1 1 97 97 LEU C C 13 178.7947 0.012 . 1 . . . . 97 LEU C . 18589 1 1000 . 1 1 97 97 LEU CA C 13 58.1346 0.032 . 1 . . . . 97 LEU CA . 18589 1 1001 . 1 1 97 97 LEU CB C 13 40.8737 0.024 . 1 . . . . 97 LEU CB . 18589 1 1002 . 1 1 97 97 LEU N N 15 116.1268 0.113 . 1 . . . . 97 LEU N . 18589 1 1003 . 1 1 98 98 LYS H H 1 7.5557 0.01 . 1 . . . . 98 LYS HN . 18589 1 1004 . 1 1 98 98 LYS C C 13 180.5251 0.01 . 1 . . . . 98 LYS C . 18589 1 1005 . 1 1 98 98 LYS CA C 13 59.028 0.024 . 1 . . . . 98 LYS CA . 18589 1 1006 . 1 1 98 98 LYS CB C 13 31.7175 0 . 1 . . . . 98 LYS CB . 18589 1 1007 . 1 1 98 98 LYS N N 15 118.4938 0.201 . 1 . . . . 98 LYS N . 18589 1 1008 . 1 1 99 99 LYS H H 1 8.0376 0.002 . 1 . . . . 99 LYS HN . 18589 1 1009 . 1 1 99 99 LYS HA H 1 3.9049 0 . 1 . . . . 99 LYS HA . 18589 1 1010 . 1 1 99 99 LYS HB2 H 1 1.7834 0 . 2 . . . . 99 LYS HB1|HB2 . 18589 1 1011 . 1 1 99 99 LYS HB3 H 1 1.6129 0 . 2 . . . . 99 LYS HB2|HB1 . 18589 1 1012 . 1 1 99 99 LYS C C 13 178.7017 0.007 . 1 . . . . 99 LYS C . 18589 1 1013 . 1 1 99 99 LYS CA C 13 58.6317 0.01 . 1 . . . . 99 LYS CA . 18589 1 1014 . 1 1 99 99 LYS CB C 13 31.69 0.037 . 1 . . . . 99 LYS CB . 18589 1 1015 . 1 1 99 99 LYS N N 15 122.5104 0.111 . 1 . . . . 99 LYS N . 18589 1 1016 . 1 1 100 100 LEU H H 1 8.0611 0.005 . 1 . . . . 100 LEU HN . 18589 1 1017 . 1 1 100 100 LEU HA H 1 4.1539 0.003 . 1 . . . . 100 LEU HA . 18589 1 1018 . 1 1 100 100 LEU HB2 H 1 1.8037 0.009 . 2 . . . . 100 LEU HB1|HB2 . 18589 1 1019 . 1 1 100 100 LEU HB3 H 1 1.4691 0.006 . 2 . . . . 100 LEU HB2|HB1 . 18589 1 1020 . 1 1 100 100 LEU HD11 H 1 0.7511 0.001 . 2 . . . . 100 LEU HD1#|HD2# . 18589 1 1021 . 1 1 100 100 LEU HD12 H 1 0.7511 0.001 . 2 . . . . 100 LEU HD1#|HD2# . 18589 1 1022 . 1 1 100 100 LEU HD13 H 1 0.7511 0.001 . 2 . . . . 100 LEU HD1#|HD2# . 18589 1 1023 . 1 1 100 100 LEU HD21 H 1 0.893 0.004 . 2 . . . . 100 LEU HD2#|HD1# . 18589 1 1024 . 1 1 100 100 LEU HD22 H 1 0.893 0.004 . 2 . . . . 100 LEU HD2#|HD1# . 18589 1 1025 . 1 1 100 100 LEU HD23 H 1 0.893 0.004 . 2 . . . . 100 LEU HD2#|HD1# . 18589 1 1026 . 1 1 100 100 LEU C C 13 177.0441 0.011 . 1 . . . . 100 LEU C . 18589 1 1027 . 1 1 100 100 LEU CA C 13 55.2285 0.223 . 1 . . . . 100 LEU CA . 18589 1 1028 . 1 1 100 100 LEU CB C 13 43.6236 0.075 . 1 . . . . 100 LEU CB . 18589 1 1029 . 1 1 100 100 LEU N N 15 117.0316 0.133 . 1 . . . . 100 LEU N . 18589 1 1030 . 1 1 101 101 GLY H H 1 7.7889 0.005 . 1 . . . . 101 GLY HN . 18589 1 1031 . 1 1 101 101 GLY HA2 H 1 4.0009 0.003 . 2 . . . . 101 GLY HA1|HA2 . 18589 1 1032 . 1 1 101 101 GLY HA3 H 1 3.7768 0.002 . 2 . . . . 101 GLY HA2|HA1 . 18589 1 1033 . 1 1 101 101 GLY C C 13 174.4067 0 . 1 . . . . 101 GLY C . 18589 1 1034 . 1 1 101 101 GLY CA C 13 46.0572 0.153 . 1 . . . . 101 GLY CA . 18589 1 1035 . 1 1 101 101 GLY N N 15 108.0084 0.122 . 1 . . . . 101 GLY N . 18589 1 1036 . 1 1 102 102 LEU H H 1 7.7115 0.009 . 1 . . . . 102 LEU HN . 18589 1 1037 . 1 1 102 102 LEU HA H 1 4.3487 0 . 1 . . . . 102 LEU HA . 18589 1 1038 . 1 1 102 102 LEU C C 13 175.6482 0.031 . 1 . . . . 102 LEU C . 18589 1 1039 . 1 1 102 102 LEU CA C 13 53.9652 0.049 . 1 . . . . 102 LEU CA . 18589 1 1040 . 1 1 102 102 LEU CB C 13 41.7053 0.014 . 1 . . . . 102 LEU CB . 18589 1 1041 . 1 1 102 102 LEU N N 15 120.0336 0.198 . 1 . . . . 102 LEU N . 18589 1 1042 . 1 1 103 103 LYS H H 1 8.0488 0.008 . 1 . . . . 103 LYS HN . 18589 1 1043 . 1 1 103 103 LYS HA H 1 4.3045 0.003 . 1 . . . . 103 LYS HA . 18589 1 1044 . 1 1 103 103 LYS HG2 H 1 1.3535 0.002 . 2 . . . . 103 LYS HG1|HG2 . 18589 1 1045 . 1 1 103 103 LYS HG3 H 1 1.4463 0.002 . 2 . . . . 103 LYS HG2|HG1 . 18589 1 1046 . 1 1 103 103 LYS C C 13 176.1443 0.011 . 1 . . . . 103 LYS C . 18589 1 1047 . 1 1 103 103 LYS CA C 13 55.8407 0.033 . 1 . . . . 103 LYS CA . 18589 1 1048 . 1 1 103 103 LYS CB C 13 33.3555 0.005 . 1 . . . . 103 LYS CB . 18589 1 1049 . 1 1 103 103 LYS CG C 13 24.6753 0 . 1 . . . . 103 LYS CG . 18589 1 1050 . 1 1 103 103 LYS N N 15 120.846 0.174 . 1 . . . . 103 LYS N . 18589 1 1051 . 1 1 104 104 LEU H H 1 8.5365 0.011 . 1 . . . . 104 LEU HN . 18589 1 1052 . 1 1 104 104 LEU HA H 1 4.453 0.003 . 1 . . . . 104 LEU HA . 18589 1 1053 . 1 1 104 104 LEU HB2 H 1 1.6322 0.004 . 2 . . . . 104 LEU HB1|HB2 . 18589 1 1054 . 1 1 104 104 LEU HB3 H 1 1.5594 0.002 . 2 . . . . 104 LEU HB2|HB1 . 18589 1 1055 . 1 1 104 104 LEU HG H 1 1.6342 0.001 . 1 . . . . 104 LEU HG . 18589 1 1056 . 1 1 104 104 LEU HD11 H 1 0.8269 0.003 . 2 . . . . 104 LEU HD1#|HD2# . 18589 1 1057 . 1 1 104 104 LEU HD12 H 1 0.8269 0.003 . 2 . . . . 104 LEU HD1#|HD2# . 18589 1 1058 . 1 1 104 104 LEU HD13 H 1 0.8269 0.003 . 2 . . . . 104 LEU HD1#|HD2# . 18589 1 1059 . 1 1 104 104 LEU HD21 H 1 0.896 0.002 . 2 . . . . 104 LEU HD2#|HD1# . 18589 1 1060 . 1 1 104 104 LEU HD22 H 1 0.896 0.002 . 2 . . . . 104 LEU HD2#|HD1# . 18589 1 1061 . 1 1 104 104 LEU HD23 H 1 0.896 0.002 . 2 . . . . 104 LEU HD2#|HD1# . 18589 1 1062 . 1 1 104 104 LEU C C 13 176.8782 0.013 . 1 . . . . 104 LEU C . 18589 1 1063 . 1 1 104 104 LEU CA C 13 54.8632 0.028 . 1 . . . . 104 LEU CA . 18589 1 1064 . 1 1 104 104 LEU CB C 13 42.601 0.095 . 1 . . . . 104 LEU CB . 18589 1 1065 . 1 1 104 104 LEU CG C 13 27.5076 0 . 1 . . . . 104 LEU CG . 18589 1 1066 . 1 1 104 104 LEU CD1 C 13 23.8928 0 . 2 . . . . 104 LEU CD1|CD2 . 18589 1 1067 . 1 1 104 104 LEU CD2 C 13 25.1429 0 . 2 . . . . 104 LEU CD2|CD1 . 18589 1 1068 . 1 1 104 104 LEU N N 15 125.7934 0.13 . 1 . . . . 104 LEU N . 18589 1 1069 . 1 1 105 105 GLU H H 1 8.7306 0.015 . 1 . . . . 105 GLU HN . 18589 1 1070 . 1 1 105 105 GLU C C 13 176.0236 0 . 1 . . . . 105 GLU C . 18589 1 1071 . 1 1 105 105 GLU CA C 13 56.1088 0.034 . 1 . . . . 105 GLU CA . 18589 1 1072 . 1 1 105 105 GLU CB C 13 30.5757 0 . 1 . . . . 105 GLU CB . 18589 1 1073 . 1 1 105 105 GLU N N 15 121.547 0.134 . 1 . . . . 105 GLU N . 18589 1 stop_ save_