data_17320 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17320 _Entry.Title ; NMR structure of the protein YP_926445.1 from Shewanella Amazonensis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-11-23 _Entry.Accession_date 2010-11-23 _Entry.Last_release_date 2012-07-25 _Entry.Original_release_date 2012-07-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details 'NMR structure of the protein YP_926445.1 from Shewanella Amazonensis' _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 Pedro Serrano . . . 17320 2 Michael Geralt . . . 17320 3 Biswaranjan Mohanty . . . 17320 4 Reto Horst . . . 17320 5 Kurt Wuthrich . . . 17320 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 'PSI, Protein Structure Initiative' 'Joint Center for Structural Genomics' . 17320 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PH10917 . 17320 'Shewanella Amazonensis' . 17320 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17320 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 385 17320 '15N chemical shifts' 119 17320 '1H chemical shifts' 785 17320 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-07-25 2010-11-23 original author . 17320 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L6O 'BMRB Entry Tracking System' 17320 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17320 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR structure of the protein YP_926445.1 from Shewanella Amazonensis' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Pedro Serrano . . . 17320 1 2 Michael Geralt . . . 17320 1 3 Biswaranjan Mohanty . . . 17320 1 4 Reto Horst . . . 17320 1 5 Kurt Wuthrich . . . 17320 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17320 _Assembly.ID 1 _Assembly.Name YP_926445.1 _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 YP_926445.1 1 $YP_926445.1 A . yes native no no . . . 17320 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YP_926445.1 _Entity.Sf_category entity _Entity.Sf_framecode YP_926445.1 _Entity.Entry_ID 17320 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YP_926445.1 _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 ; MGAGQTPHPQLIWPALLKQQ GCNELLPLRTNDDWQRFCAD SKHLLQYGDKLVDSNFHCFV LEEDAHWHPAAPLPPEGLND LIRAHCATLGHCCTSKMHLH SVMDAIDFLNALEG ; _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 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12793.651 _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 2L6O . "Nmr Structure Of The Protein Yp_926445.1 From Shewanella Amazonensis" . . . . . 100.00 114 100.00 100.00 1.63e-77 . . . . 17320 1 2 no GB ABL98775 . "hypothetical protein Sama_0567 [Shewanella amazonensis SB2B]" . . . . . 100.00 114 100.00 100.00 1.63e-77 . . . . 17320 1 3 no REF WP_011758685 . "hypothetical protein [Shewanella amazonensis]" . . . . . 100.00 114 100.00 100.00 1.63e-77 . . . . 17320 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 . 17320 1 2 . GLY . 17320 1 3 . ALA . 17320 1 4 . GLY . 17320 1 5 . GLN . 17320 1 6 . THR . 17320 1 7 . PRO . 17320 1 8 . HIS . 17320 1 9 . PRO . 17320 1 10 . GLN . 17320 1 11 . LEU . 17320 1 12 . ILE . 17320 1 13 . TRP . 17320 1 14 . PRO . 17320 1 15 . ALA . 17320 1 16 . LEU . 17320 1 17 . LEU . 17320 1 18 . LYS . 17320 1 19 . GLN . 17320 1 20 . GLN . 17320 1 21 . GLY . 17320 1 22 . CYS . 17320 1 23 . ASN . 17320 1 24 . GLU . 17320 1 25 . LEU . 17320 1 26 . LEU . 17320 1 27 . PRO . 17320 1 28 . LEU . 17320 1 29 . ARG . 17320 1 30 . THR . 17320 1 31 . ASN . 17320 1 32 . ASP . 17320 1 33 . ASP . 17320 1 34 . TRP . 17320 1 35 . GLN . 17320 1 36 . ARG . 17320 1 37 . PHE . 17320 1 38 . CYS . 17320 1 39 . ALA . 17320 1 40 . ASP . 17320 1 41 . SER . 17320 1 42 . LYS . 17320 1 43 . HIS . 17320 1 44 . LEU . 17320 1 45 . LEU . 17320 1 46 . GLN . 17320 1 47 . TYR . 17320 1 48 . GLY . 17320 1 49 . ASP . 17320 1 50 . LYS . 17320 1 51 . LEU . 17320 1 52 . VAL . 17320 1 53 . ASP . 17320 1 54 . SER . 17320 1 55 . ASN . 17320 1 56 . PHE . 17320 1 57 . HIS . 17320 1 58 . CYS . 17320 1 59 . PHE . 17320 1 60 . VAL . 17320 1 61 . LEU . 17320 1 62 . GLU . 17320 1 63 . GLU . 17320 1 64 . ASP . 17320 1 65 . ALA . 17320 1 66 . HIS . 17320 1 67 . TRP . 17320 1 68 . HIS . 17320 1 69 . PRO . 17320 1 70 . ALA . 17320 1 71 . ALA . 17320 1 72 . PRO . 17320 1 73 . LEU . 17320 1 74 . PRO . 17320 1 75 . PRO . 17320 1 76 . GLU . 17320 1 77 . GLY . 17320 1 78 . LEU . 17320 1 79 . ASN . 17320 1 80 . ASP . 17320 1 81 . LEU . 17320 1 82 . ILE . 17320 1 83 . ARG . 17320 1 84 . ALA . 17320 1 85 . HIS . 17320 1 86 . CYS . 17320 1 87 . ALA . 17320 1 88 . THR . 17320 1 89 . LEU . 17320 1 90 . GLY . 17320 1 91 . HIS . 17320 1 92 . CYS . 17320 1 93 . CYS . 17320 1 94 . THR . 17320 1 95 . SER . 17320 1 96 . LYS . 17320 1 97 . MET . 17320 1 98 . HIS . 17320 1 99 . LEU . 17320 1 100 . HIS . 17320 1 101 . SER . 17320 1 102 . VAL . 17320 1 103 . MET . 17320 1 104 . ASP . 17320 1 105 . ALA . 17320 1 106 . ILE . 17320 1 107 . ASP . 17320 1 108 . PHE . 17320 1 109 . LEU . 17320 1 110 . ASN . 17320 1 111 . ALA . 17320 1 112 . LEU . 17320 1 113 . GLU . 17320 1 114 . GLY . 17320 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 17320 1 . GLY 2 2 17320 1 . ALA 3 3 17320 1 . GLY 4 4 17320 1 . GLN 5 5 17320 1 . THR 6 6 17320 1 . PRO 7 7 17320 1 . HIS 8 8 17320 1 . PRO 9 9 17320 1 . GLN 10 10 17320 1 . LEU 11 11 17320 1 . ILE 12 12 17320 1 . TRP 13 13 17320 1 . PRO 14 14 17320 1 . ALA 15 15 17320 1 . LEU 16 16 17320 1 . LEU 17 17 17320 1 . LYS 18 18 17320 1 . GLN 19 19 17320 1 . GLN 20 20 17320 1 . GLY 21 21 17320 1 . CYS 22 22 17320 1 . ASN 23 23 17320 1 . GLU 24 24 17320 1 . LEU 25 25 17320 1 . LEU 26 26 17320 1 . PRO 27 27 17320 1 . LEU 28 28 17320 1 . ARG 29 29 17320 1 . THR 30 30 17320 1 . ASN 31 31 17320 1 . ASP 32 32 17320 1 . ASP 33 33 17320 1 . TRP 34 34 17320 1 . GLN 35 35 17320 1 . ARG 36 36 17320 1 . PHE 37 37 17320 1 . CYS 38 38 17320 1 . ALA 39 39 17320 1 . ASP 40 40 17320 1 . SER 41 41 17320 1 . LYS 42 42 17320 1 . HIS 43 43 17320 1 . LEU 44 44 17320 1 . LEU 45 45 17320 1 . GLN 46 46 17320 1 . TYR 47 47 17320 1 . GLY 48 48 17320 1 . ASP 49 49 17320 1 . LYS 50 50 17320 1 . LEU 51 51 17320 1 . VAL 52 52 17320 1 . ASP 53 53 17320 1 . SER 54 54 17320 1 . ASN 55 55 17320 1 . PHE 56 56 17320 1 . HIS 57 57 17320 1 . CYS 58 58 17320 1 . PHE 59 59 17320 1 . VAL 60 60 17320 1 . LEU 61 61 17320 1 . GLU 62 62 17320 1 . GLU 63 63 17320 1 . ASP 64 64 17320 1 . ALA 65 65 17320 1 . HIS 66 66 17320 1 . TRP 67 67 17320 1 . HIS 68 68 17320 1 . PRO 69 69 17320 1 . ALA 70 70 17320 1 . ALA 71 71 17320 1 . PRO 72 72 17320 1 . LEU 73 73 17320 1 . PRO 74 74 17320 1 . PRO 75 75 17320 1 . GLU 76 76 17320 1 . GLY 77 77 17320 1 . LEU 78 78 17320 1 . ASN 79 79 17320 1 . ASP 80 80 17320 1 . LEU 81 81 17320 1 . ILE 82 82 17320 1 . ARG 83 83 17320 1 . ALA 84 84 17320 1 . HIS 85 85 17320 1 . CYS 86 86 17320 1 . ALA 87 87 17320 1 . THR 88 88 17320 1 . LEU 89 89 17320 1 . GLY 90 90 17320 1 . HIS 91 91 17320 1 . CYS 92 92 17320 1 . CYS 93 93 17320 1 . THR 94 94 17320 1 . SER 95 95 17320 1 . LYS 96 96 17320 1 . MET 97 97 17320 1 . HIS 98 98 17320 1 . LEU 99 99 17320 1 . HIS 100 100 17320 1 . SER 101 101 17320 1 . VAL 102 102 17320 1 . MET 103 103 17320 1 . ASP 104 104 17320 1 . ALA 105 105 17320 1 . ILE 106 106 17320 1 . ASP 107 107 17320 1 . PHE 108 108 17320 1 . LEU 109 109 17320 1 . ASN 110 110 17320 1 . ALA 111 111 17320 1 . LEU 112 112 17320 1 . GLU 113 113 17320 1 . GLY 114 114 17320 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 17320 _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 $YP_926445.1 . 60478 organism . 'Shewanella amazonensis' 'Shewanella amazonensis' . . Bacteria . Shewanella amazonensis SB2B . . . . . . . . . . . . . . . . . . . . 17320 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 17320 _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 $YP_926445.1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . . . . . . . . . . . pSpeedET . . . . . . 17320 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17320 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17320 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17320 1 3 DTT 'natural abundance' . . . . . . 8 . . mM . . . . 17320 1 4 'sodium azide' 'natural abundance' . . . . . . 4.5 . . mM . . . . 17320 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17320 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17320 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 17320 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.113 . M 17320 1 pH 6.5 . pH 17320 1 pressure 1 . atm 17320 1 temperature 298 . K 17320 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17320 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17320 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17320 1 stop_ save_ save_OPALp _Software.Sf_category software _Software.Sf_framecode OPALp _Software.Entry_ID 17320 _Software.ID 2 _Software.Name OPALp _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 17320 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17320 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17320 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17320 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17320 3 processing 17320 3 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17320 _Software.ID 4 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 17320 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17320 4 'data analysis' 17320 4 'peak picking' 17320 4 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 17320 _Software.ID 5 _Software.Name UNIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann and Wuthrich' . . 17320 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17320 5 'peak picking' 17320 5 'structure solution' 17320 5 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 17320 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17320 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 17320 _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 Bruker Avance . 600 . . . 17320 1 2 spectrometer_2 Bruker Avance . 800 . . . 17320 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 17320 _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 . . . . . . . . . . . . . . . . . . . . . 17320 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17320 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17320 1 4 '3D 1H-13C NOESY (ali)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17320 1 5 '3D 1H-15N NOESY (Aro)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17320 1 6 '5D APSY-HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17320 1 7 '4D APSY-HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17320 1 8 '5D APSY-CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17320 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 17320 _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 . . . . . . . . . 17320 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17320 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17320 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 17320 _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 0.027 _Assigned_chem_shift_list.Chem_shift_13C_err 0.12 _Assigned_chem_shift_list.Chem_shift_15N_err 0.16 _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' . . . 17320 1 2 '2D 1H-13C HSQC' . . . 17320 1 3 '3D 1H-15N NOESY' . . . 17320 1 4 '3D 1H-13C NOESY (ali)' . . . 17320 1 5 '3D 1H-15N NOESY (Aro)' . . . 17320 1 6 '5D APSY-HACACONH' . . . 17320 1 7 '4D APSY-HACANH' . . . 17320 1 8 '5D APSY-CBCACONH' . . . 17320 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.486 0.027 . 1 . . . . 1 M HA . 17320 1 2 . 1 1 1 1 MET HB2 H 1 2.091 0.027 . 2 . . . . 1 M HB2 . 17320 1 3 . 1 1 1 1 MET HB3 H 1 2.105 0.027 . 2 . . . . 1 M HB3 . 17320 1 4 . 1 1 1 1 MET HG3 H 1 2.181 0.027 . 2 . . . . 1 M HG3 . 17320 1 5 . 1 1 1 1 MET HE1 H 1 2.016 0.027 . 1 . . . . 1 M QE . 17320 1 6 . 1 1 1 1 MET HE2 H 1 2.016 0.027 . 1 . . . . 1 M QE . 17320 1 7 . 1 1 1 1 MET HE3 H 1 2.016 0.027 . 1 . . . . 1 M QE . 17320 1 8 . 1 1 1 1 MET CA C 13 55.450 0.12 . 1 . . . . 1 M CA . 17320 1 9 . 1 1 1 1 MET CB C 13 32.990 0.12 . 1 . . . . 1 M CB . 17320 1 10 . 1 1 1 1 MET CE C 13 16.700 0.12 . 1 . . . . 1 M CE . 17320 1 11 . 1 1 2 2 GLY H H 1 8.590 0.027 . 1 . . . . 2 G HN . 17320 1 12 . 1 1 2 2 GLY HA2 H 1 3.957 0.027 . 2 . . . . 2 G QA . 17320 1 13 . 1 1 2 2 GLY HA3 H 1 3.957 0.027 . 2 . . . . 2 G QA . 17320 1 14 . 1 1 2 2 GLY CA C 13 45.301 0.12 . 1 . . . . 2 G CA . 17320 1 15 . 1 1 2 2 GLY N N 15 109.663 0.16 . 1 . . . . 2 G N . 17320 1 16 . 1 1 3 3 ALA H H 1 8.244 0.027 . 1 . . . . 3 A HN . 17320 1 17 . 1 1 3 3 ALA HA H 1 4.387 0.027 . 1 . . . . 3 A HA . 17320 1 18 . 1 1 3 3 ALA HB1 H 1 1.379 0.027 . 1 . . . . 3 A QB . 17320 1 19 . 1 1 3 3 ALA HB2 H 1 1.379 0.027 . 1 . . . . 3 A QB . 17320 1 20 . 1 1 3 3 ALA HB3 H 1 1.379 0.027 . 1 . . . . 3 A QB . 17320 1 21 . 1 1 3 3 ALA CA C 13 52.352 0.12 . 1 . . . . 3 A CA . 17320 1 22 . 1 1 3 3 ALA CB C 13 19.102 0.12 . 1 . . . . 3 A CB . 17320 1 23 . 1 1 3 3 ALA N N 15 122.960 0.16 . 1 . . . . 3 A N . 17320 1 24 . 1 1 4 4 GLY H H 1 8.393 0.027 . 1 . . . . 4 G HN . 17320 1 25 . 1 1 4 4 GLY HA2 H 1 3.954 0.027 . 2 . . . . 4 G QA . 17320 1 26 . 1 1 4 4 GLY HA3 H 1 3.954 0.027 . 2 . . . . 4 G QA . 17320 1 27 . 1 1 4 4 GLY CA C 13 45.396 0.12 . 1 . . . . 4 G CA . 17320 1 28 . 1 1 4 4 GLY N N 15 106.885 0.16 . 1 . . . . 4 G N . 17320 1 29 . 1 1 5 5 GLN H H 1 8.294 0.027 . 1 . . . . 5 Q HN . 17320 1 30 . 1 1 5 5 GLN HA H 1 4.438 0.027 . 1 . . . . 5 Q HA . 17320 1 31 . 1 1 5 5 GLN HB2 H 1 2.077 0.027 . 2 . . . . 5 Q HB2 . 17320 1 32 . 1 1 5 5 GLN HB3 H 1 2.213 0.027 . 2 . . . . 5 Q HB3 . 17320 1 33 . 1 1 5 5 GLN HG2 H 1 2.410 0.027 . 2 . . . . 5 Q QG . 17320 1 34 . 1 1 5 5 GLN HG3 H 1 2.410 0.027 . 2 . . . . 5 Q QG . 17320 1 35 . 1 1 5 5 GLN HE21 H 1 7.539 0.027 . 2 . . . . 5 Q HE21 . 17320 1 36 . 1 1 5 5 GLN HE22 H 1 6.855 0.027 . 2 . . . . 5 Q HE22 . 17320 1 37 . 1 1 5 5 GLN CA C 13 56.158 0.12 . 1 . . . . 5 Q CA . 17320 1 38 . 1 1 5 5 GLN CB C 13 29.510 0.12 . 1 . . . . 5 Q CB . 17320 1 39 . 1 1 5 5 GLN CG C 13 33.819 0.12 . 1 . . . . 5 Q CG . 17320 1 40 . 1 1 5 5 GLN N N 15 118.507 0.16 . 1 . . . . 5 Q N . 17320 1 41 . 1 1 5 5 GLN NE2 N 15 111.405 0.16 . 1 . . . . 5 Q NE2 . 17320 1 42 . 1 1 6 6 THR H H 1 8.097 0.027 . 1 . . . . 6 T HN . 17320 1 43 . 1 1 6 6 THR HA H 1 4.709 0.027 . 1 . . . . 6 T HA . 17320 1 44 . 1 1 6 6 THR HB H 1 4.122 0.027 . 1 . . . . 6 T HB . 17320 1 45 . 1 1 6 6 THR HG21 H 1 1.029 0.027 . 1 . . . . 6 T QG2 . 17320 1 46 . 1 1 6 6 THR HG22 H 1 1.029 0.027 . 1 . . . . 6 T QG2 . 17320 1 47 . 1 1 6 6 THR HG23 H 1 1.029 0.027 . 1 . . . . 6 T QG2 . 17320 1 48 . 1 1 6 6 THR CA C 13 59.004 0.12 . 1 . . . . 6 T CA . 17320 1 49 . 1 1 6 6 THR CB C 13 69.663 0.12 . 1 . . . . 6 T CB . 17320 1 50 . 1 1 6 6 THR CG2 C 13 20.807 0.12 . 1 . . . . 6 T CG2 . 17320 1 51 . 1 1 6 6 THR N N 15 115.214 0.16 . 1 . . . . 6 T N . 17320 1 52 . 1 1 7 7 PRO HA H 1 3.912 0.027 . 1 . . . . 7 P HA . 17320 1 53 . 1 1 7 7 PRO HB2 H 1 0.367 0.027 . 2 . . . . 7 P HB2 . 17320 1 54 . 1 1 7 7 PRO HB3 H 1 0.595 0.027 . 2 . . . . 7 P HB3 . 17320 1 55 . 1 1 7 7 PRO HG2 H 1 0.165 0.027 . 2 . . . . 7 P HG2 . 17320 1 56 . 1 1 7 7 PRO HG3 H 1 0.187 0.027 . 2 . . . . 7 P HG3 . 17320 1 57 . 1 1 7 7 PRO HD2 H 1 3.200 0.027 . 2 . . . . 7 P HD2 . 17320 1 58 . 1 1 7 7 PRO HD3 H 1 2.916 0.027 . 2 . . . . 7 P HD3 . 17320 1 59 . 1 1 7 7 PRO CA C 13 64.307 0.12 . 1 . . . . 7 P CA . 17320 1 60 . 1 1 7 7 PRO CB C 13 30.952 0.12 . 1 . . . . 7 P CB . 17320 1 61 . 1 1 7 7 PRO CG C 13 26.347 0.12 . 1 . . . . 7 P CG . 17320 1 62 . 1 1 7 7 PRO CD C 13 50.543 0.12 . 1 . . . . 7 P CD . 17320 1 63 . 1 1 8 8 HIS HA H 1 4.424 0.027 . 1 . . . . 8 H HA . 17320 1 64 . 1 1 8 8 HIS HB2 H 1 2.450 0.027 . 2 . . . . 8 H HB2 . 17320 1 65 . 1 1 8 8 HIS HB3 H 1 1.584 0.027 . 2 . . . . 8 H HB3 . 17320 1 66 . 1 1 8 8 HIS HD2 H 1 7.413 0.027 . 1 . . . . 8 H HD2 . 17320 1 67 . 1 1 8 8 HIS HE1 H 1 7.784 0.027 . 1 . . . . 8 H HE1 . 17320 1 68 . 1 1 8 8 HIS CA C 13 55.190 0.12 . 1 . . . . 8 H CA . 17320 1 69 . 1 1 8 8 HIS CB C 13 34.118 0.12 . 1 . . . . 8 H CB . 17320 1 70 . 1 1 8 8 HIS CD2 C 13 115.881 0.12 . 1 . . . . 8 H CD2 . 17320 1 71 . 1 1 8 8 HIS CE1 C 13 136.537 0.12 . 1 . . . . 8 H CE1 . 17320 1 72 . 1 1 9 9 PRO HA H 1 4.151 0.027 . 1 . . . . 9 P HA . 17320 1 73 . 1 1 9 9 PRO HB2 H 1 2.215 0.027 . 2 . . . . 9 P QB . 17320 1 74 . 1 1 9 9 PRO HB3 H 1 2.215 0.027 . 2 . . . . 9 P QB . 17320 1 75 . 1 1 9 9 PRO HG2 H 1 1.711 0.027 . 2 . . . . 9 P HG2 . 17320 1 76 . 1 1 9 9 PRO HG3 H 1 1.640 0.027 . 2 . . . . 9 P HG3 . 17320 1 77 . 1 1 9 9 PRO HD2 H 1 1.990 0.027 . 2 . . . . 9 P HD2 . 17320 1 78 . 1 1 9 9 PRO HD3 H 1 3.320 0.027 . 2 . . . . 9 P HD3 . 17320 1 79 . 1 1 9 9 PRO CA C 13 64.206 0.12 . 1 . . . . 9 P CA . 17320 1 80 . 1 1 9 9 PRO CB C 13 32.300 0.12 . 1 . . . . 9 P CB . 17320 1 81 . 1 1 9 9 PRO CG C 13 27.035 0.12 . 1 . . . . 9 P CG . 17320 1 82 . 1 1 9 9 PRO CD C 13 50.308 0.12 . 1 . . . . 9 P CD . 17320 1 83 . 1 1 10 10 GLN H H 1 10.657 0.027 . 1 . . . . 10 Q HN . 17320 1 84 . 1 1 10 10 GLN HA H 1 4.279 0.027 . 1 . . . . 10 Q HA . 17320 1 85 . 1 1 10 10 GLN HB2 H 1 2.200 0.027 . 2 . . . . 10 Q HB2 . 17320 1 86 . 1 1 10 10 GLN HB3 H 1 2.388 0.027 . 2 . . . . 10 Q HB3 . 17320 1 87 . 1 1 10 10 GLN HG2 H 1 2.494 0.027 . 2 . . . . 10 Q QG . 17320 1 88 . 1 1 10 10 GLN HG3 H 1 2.494 0.027 . 2 . . . . 10 Q QG . 17320 1 89 . 1 1 10 10 GLN HE21 H 1 6.812 0.027 . 2 . . . . 10 Q HE21 . 17320 1 90 . 1 1 10 10 GLN HE22 H 1 7.577 0.027 . 2 . . . . 10 Q HE22 . 17320 1 91 . 1 1 10 10 GLN CA C 13 55.410 0.12 . 1 . . . . 10 Q CA . 17320 1 92 . 1 1 10 10 GLN CB C 13 28.947 0.12 . 1 . . . . 10 Q CB . 17320 1 93 . 1 1 10 10 GLN CG C 13 34.985 0.12 . 1 . . . . 10 Q CG . 17320 1 94 . 1 1 10 10 GLN N N 15 117.470 0.16 . 1 . . . . 10 Q N . 17320 1 95 . 1 1 10 10 GLN NE2 N 15 110.843 0.16 . 1 . . . . 10 Q NE2 . 17320 1 96 . 1 1 11 11 LEU H H 1 7.021 0.027 . 1 . . . . 11 L HN . 17320 1 97 . 1 1 11 11 LEU HA H 1 3.973 0.027 . 1 . . . . 11 L HA . 17320 1 98 . 1 1 11 11 LEU HB2 H 1 0.640 0.027 . 2 . . . . 11 L HB2 . 17320 1 99 . 1 1 11 11 LEU HB3 H 1 -0.035 0.027 . 2 . . . . 11 L HB3 . 17320 1 100 . 1 1 11 11 LEU HG H 1 0.802 0.027 . 1 . . . . 11 L HG . 17320 1 101 . 1 1 11 11 LEU HD11 H 1 -1.329 0.027 . 1 . . . . 11 L QD1 . 17320 1 102 . 1 1 11 11 LEU HD12 H 1 -1.329 0.027 . 1 . . . . 11 L QD1 . 17320 1 103 . 1 1 11 11 LEU HD13 H 1 -1.329 0.027 . 1 . . . . 11 L QD1 . 17320 1 104 . 1 1 11 11 LEU HD21 H 1 -0.484 0.027 . 1 . . . . 11 L QD2 . 17320 1 105 . 1 1 11 11 LEU HD22 H 1 -0.484 0.027 . 1 . . . . 11 L QD2 . 17320 1 106 . 1 1 11 11 LEU HD23 H 1 -0.484 0.027 . 1 . . . . 11 L QD2 . 17320 1 107 . 1 1 11 11 LEU CA C 13 55.972 0.12 . 1 . . . . 11 L CA . 17320 1 108 . 1 1 11 11 LEU CB C 13 41.119 0.12 . 1 . . . . 11 L CB . 17320 1 109 . 1 1 11 11 LEU CG C 13 25.970 0.12 . 1 . . . . 11 L CG . 17320 1 110 . 1 1 11 11 LEU CD1 C 13 21.483 0.12 . 2 . . . . 11 L CD1 . 17320 1 111 . 1 1 11 11 LEU CD2 C 13 27.486 0.12 . 2 . . . . 11 L CD2 . 17320 1 112 . 1 1 11 11 LEU N N 15 122.305 0.16 . 1 . . . . 11 L N . 17320 1 113 . 1 1 12 12 ILE H H 1 9.023 0.027 . 1 . . . . 12 I HN . 17320 1 114 . 1 1 12 12 ILE HA H 1 4.136 0.027 . 1 . . . . 12 I HA . 17320 1 115 . 1 1 12 12 ILE HB H 1 1.623 0.027 . 1 . . . . 12 I HB . 17320 1 116 . 1 1 12 12 ILE HG12 H 1 1.328 0.027 . 2 . . . . 12 I HG12 . 17320 1 117 . 1 1 12 12 ILE HG13 H 1 1.282 0.027 . 2 . . . . 12 I HG13 . 17320 1 118 . 1 1 12 12 ILE HG21 H 1 0.869 0.027 . 1 . . . . 12 I QG2 . 17320 1 119 . 1 1 12 12 ILE HG22 H 1 0.869 0.027 . 1 . . . . 12 I QG2 . 17320 1 120 . 1 1 12 12 ILE HG23 H 1 0.869 0.027 . 1 . . . . 12 I QG2 . 17320 1 121 . 1 1 12 12 ILE HD11 H 1 0.686 0.027 . 1 . . . . 12 I QD1 . 17320 1 122 . 1 1 12 12 ILE HD12 H 1 0.686 0.027 . 1 . . . . 12 I QD1 . 17320 1 123 . 1 1 12 12 ILE HD13 H 1 0.686 0.027 . 1 . . . . 12 I QD1 . 17320 1 124 . 1 1 12 12 ILE CA C 13 58.350 0.12 . 1 . . . . 12 I CA . 17320 1 125 . 1 1 12 12 ILE CB C 13 37.873 0.12 . 1 . . . . 12 I CB . 17320 1 126 . 1 1 12 12 ILE CG1 C 13 26.037 0.12 . 1 . . . . 12 I CG1 . 17320 1 127 . 1 1 12 12 ILE CG2 C 13 16.570 0.12 . 1 . . . . 12 I CG2 . 17320 1 128 . 1 1 12 12 ILE CD1 C 13 10.968 0.12 . 1 . . . . 12 I CD1 . 17320 1 129 . 1 1 12 12 ILE N N 15 128.572 0.16 . 1 . . . . 12 I N . 17320 1 130 . 1 1 13 13 TRP H H 1 7.070 0.027 . 1 . . . . 13 W HN . 17320 1 131 . 1 1 13 13 TRP HA H 1 3.986 0.027 . 1 . . . . 13 W HA . 17320 1 132 . 1 1 13 13 TRP HB2 H 1 3.392 0.027 . 2 . . . . 13 W HB2 . 17320 1 133 . 1 1 13 13 TRP HB3 H 1 2.775 0.027 . 2 . . . . 13 W HB3 . 17320 1 134 . 1 1 13 13 TRP HD1 H 1 7.355 0.027 . 1 . . . . 13 W HD1 . 17320 1 135 . 1 1 13 13 TRP HE1 H 1 9.973 0.027 . 1 . . . . 13 W HE1 . 17320 1 136 . 1 1 13 13 TRP HE3 H 1 7.189 0.027 . 1 . . . . 13 W HE3 . 17320 1 137 . 1 1 13 13 TRP HZ2 H 1 6.931 0.027 . 1 . . . . 13 W HZ2 . 17320 1 138 . 1 1 13 13 TRP HZ3 H 1 6.544 0.027 . 1 . . . . 13 W HZ3 . 17320 1 139 . 1 1 13 13 TRP HH2 H 1 6.055 0.027 . 1 . . . . 13 W HH2 . 17320 1 140 . 1 1 13 13 TRP CA C 13 54.896 0.12 . 1 . . . . 13 W CA . 17320 1 141 . 1 1 13 13 TRP CB C 13 28.156 0.12 . 1 . . . . 13 W CB . 17320 1 142 . 1 1 13 13 TRP CD1 C 13 126.322 0.12 . 1 . . . . 13 W CD1 . 17320 1 143 . 1 1 13 13 TRP CE3 C 13 118.436 0.12 . 1 . . . . 13 W CE3 . 17320 1 144 . 1 1 13 13 TRP CZ2 C 13 111.753 0.12 . 1 . . . . 13 W CZ2 . 17320 1 145 . 1 1 13 13 TRP CZ3 C 13 119.518 0.12 . 1 . . . . 13 W CZ3 . 17320 1 146 . 1 1 13 13 TRP CH2 C 13 121.191 0.12 . 1 . . . . 13 W CH2 . 17320 1 147 . 1 1 13 13 TRP N N 15 127.944 0.16 . 1 . . . . 13 W N . 17320 1 148 . 1 1 13 13 TRP NE1 N 15 127.620 0.16 . 1 . . . . 13 W NE1 . 17320 1 149 . 1 1 14 14 PRO HA H 1 5.017 0.027 . 1 . . . . 14 P HA . 17320 1 150 . 1 1 14 14 PRO HB2 H 1 2.050 0.027 . 2 . . . . 14 P HB2 . 17320 1 151 . 1 1 14 14 PRO HB3 H 1 2.747 0.027 . 2 . . . . 14 P HB3 . 17320 1 152 . 1 1 14 14 PRO HG2 H 1 1.520 0.027 . 2 . . . . 14 P HG2 . 17320 1 153 . 1 1 14 14 PRO HG3 H 1 2.035 0.027 . 2 . . . . 14 P HG3 . 17320 1 154 . 1 1 14 14 PRO HD2 H 1 3.883 0.027 . 2 . . . . 14 P HD2 . 17320 1 155 . 1 1 14 14 PRO HD3 H 1 3.508 0.027 . 2 . . . . 14 P HD3 . 17320 1 156 . 1 1 14 14 PRO CA C 13 61.923 0.12 . 1 . . . . 14 P CA . 17320 1 157 . 1 1 14 14 PRO CB C 13 37.489 0.12 . 1 . . . . 14 P CB . 17320 1 158 . 1 1 14 14 PRO CG C 13 24.494 0.12 . 1 . . . . 14 P CG . 17320 1 159 . 1 1 14 14 PRO CD C 13 51.211 0.12 . 1 . . . . 14 P CD . 17320 1 160 . 1 1 15 15 ALA H H 1 9.140 0.027 . 1 . . . . 15 A HN . 17320 1 161 . 1 1 15 15 ALA HA H 1 5.362 0.027 . 1 . . . . 15 A HA . 17320 1 162 . 1 1 15 15 ALA HB1 H 1 1.057 0.027 . 1 . . . . 15 A QB . 17320 1 163 . 1 1 15 15 ALA HB2 H 1 1.057 0.027 . 1 . . . . 15 A QB . 17320 1 164 . 1 1 15 15 ALA HB3 H 1 1.057 0.027 . 1 . . . . 15 A QB . 17320 1 165 . 1 1 15 15 ALA CA C 13 50.207 0.12 . 1 . . . . 15 A CA . 17320 1 166 . 1 1 15 15 ALA CB C 13 24.492 0.12 . 1 . . . . 15 A CB . 17320 1 167 . 1 1 15 15 ALA N N 15 116.293 0.16 . 1 . . . . 15 A N . 17320 1 168 . 1 1 16 16 LEU H H 1 8.848 0.027 . 1 . . . . 16 L HN . 17320 1 169 . 1 1 16 16 LEU HA H 1 4.817 0.027 . 1 . . . . 16 L HA . 17320 1 170 . 1 1 16 16 LEU HB2 H 1 1.506 0.027 . 2 . . . . 16 L HB2 . 17320 1 171 . 1 1 16 16 LEU HB3 H 1 1.058 0.027 . 2 . . . . 16 L HB3 . 17320 1 172 . 1 1 16 16 LEU HG H 1 1.495 0.027 . 1 . . . . 16 L HG . 17320 1 173 . 1 1 16 16 LEU HD11 H 1 0.657 0.027 . 1 . . . . 16 L QD1 . 17320 1 174 . 1 1 16 16 LEU HD12 H 1 0.657 0.027 . 1 . . . . 16 L QD1 . 17320 1 175 . 1 1 16 16 LEU HD13 H 1 0.657 0.027 . 1 . . . . 16 L QD1 . 17320 1 176 . 1 1 16 16 LEU HD21 H 1 0.625 0.027 . 1 . . . . 16 L QD2 . 17320 1 177 . 1 1 16 16 LEU HD22 H 1 0.625 0.027 . 1 . . . . 16 L QD2 . 17320 1 178 . 1 1 16 16 LEU HD23 H 1 0.625 0.027 . 1 . . . . 16 L QD2 . 17320 1 179 . 1 1 16 16 LEU CA C 13 52.667 0.12 . 1 . . . . 16 L CA . 17320 1 180 . 1 1 16 16 LEU CB C 13 45.505 0.12 . 1 . . . . 16 L CB . 17320 1 181 . 1 1 16 16 LEU CG C 13 26.045 0.12 . 1 . . . . 16 L CG . 17320 1 182 . 1 1 16 16 LEU CD1 C 13 26.105 0.12 . 2 . . . . 16 L CD1 . 17320 1 183 . 1 1 16 16 LEU CD2 C 13 23.651 0.12 . 2 . . . . 16 L CD2 . 17320 1 184 . 1 1 16 16 LEU N N 15 115.829 0.16 . 1 . . . . 16 L N . 17320 1 185 . 1 1 17 17 LEU H H 1 8.694 0.027 . 1 . . . . 17 L HN . 17320 1 186 . 1 1 17 17 LEU HA H 1 5.093 0.027 . 1 . . . . 17 L HA . 17320 1 187 . 1 1 17 17 LEU HB2 H 1 2.024 0.027 . 2 . . . . 17 L HB2 . 17320 1 188 . 1 1 17 17 LEU HB3 H 1 1.188 0.027 . 2 . . . . 17 L HB3 . 17320 1 189 . 1 1 17 17 LEU HG H 1 1.347 0.027 . 1 . . . . 17 L HG . 17320 1 190 . 1 1 17 17 LEU HD11 H 1 0.980 0.027 . 1 . . . . 17 L QD1 . 17320 1 191 . 1 1 17 17 LEU HD12 H 1 0.980 0.027 . 1 . . . . 17 L QD1 . 17320 1 192 . 1 1 17 17 LEU HD13 H 1 0.980 0.027 . 1 . . . . 17 L QD1 . 17320 1 193 . 1 1 17 17 LEU HD21 H 1 0.604 0.027 . 1 . . . . 17 L QD2 . 17320 1 194 . 1 1 17 17 LEU HD22 H 1 0.604 0.027 . 1 . . . . 17 L QD2 . 17320 1 195 . 1 1 17 17 LEU HD23 H 1 0.604 0.027 . 1 . . . . 17 L QD2 . 17320 1 196 . 1 1 17 17 LEU CA C 13 53.647 0.12 . 1 . . . . 17 L CA . 17320 1 197 . 1 1 17 17 LEU CB C 13 43.727 0.12 . 1 . . . . 17 L CB . 17320 1 198 . 1 1 17 17 LEU CG C 13 27.708 0.12 . 1 . . . . 17 L CG . 17320 1 199 . 1 1 17 17 LEU CD1 C 13 23.122 0.12 . 2 . . . . 17 L CD1 . 17320 1 200 . 1 1 17 17 LEU CD2 C 13 27.317 0.12 . 2 . . . . 17 L CD2 . 17320 1 201 . 1 1 17 17 LEU N N 15 122.182 0.16 . 1 . . . . 17 L N . 17320 1 202 . 1 1 18 18 LYS H H 1 9.640 0.027 . 1 . . . . 18 K HN . 17320 1 203 . 1 1 18 18 LYS HA H 1 4.907 0.027 . 1 . . . . 18 K HA . 17320 1 204 . 1 1 18 18 LYS HB2 H 1 1.376 0.027 . 2 . . . . 18 K HB2 . 17320 1 205 . 1 1 18 18 LYS HB3 H 1 1.949 0.027 . 2 . . . . 18 K HB3 . 17320 1 206 . 1 1 18 18 LYS HG2 H 1 0.864 0.027 . 2 . . . . 18 K QG . 17320 1 207 . 1 1 18 18 LYS HG3 H 1 0.864 0.027 . 2 . . . . 18 K QG . 17320 1 208 . 1 1 18 18 LYS HD2 H 1 1.583 0.027 . 2 . . . . 18 K HD2 . 17320 1 209 . 1 1 18 18 LYS HD3 H 1 1.736 0.027 . 2 . . . . 18 K HD3 . 17320 1 210 . 1 1 18 18 LYS HE2 H 1 3.160 0.027 . 2 . . . . 18 K HE2 . 17320 1 211 . 1 1 18 18 LYS HE3 H 1 2.963 0.027 . 2 . . . . 18 K HE3 . 17320 1 212 . 1 1 18 18 LYS CA C 13 53.666 0.12 . 1 . . . . 18 K CA . 17320 1 213 . 1 1 18 18 LYS CB C 13 33.955 0.12 . 1 . . . . 18 K CB . 17320 1 214 . 1 1 18 18 LYS CG C 13 23.357 0.12 . 1 . . . . 18 K CG . 17320 1 215 . 1 1 18 18 LYS CD C 13 28.728 0.12 . 1 . . . . 18 K CD . 17320 1 216 . 1 1 18 18 LYS CE C 13 42.807 0.12 . 1 . . . . 18 K CE . 17320 1 217 . 1 1 18 18 LYS N N 15 129.077 0.16 . 1 . . . . 18 K N . 17320 1 218 . 1 1 19 19 GLN H H 1 9.953 0.027 . 1 . . . . 19 Q HN . 17320 1 219 . 1 1 19 19 GLN HA H 1 4.543 0.027 . 1 . . . . 19 Q HA . 17320 1 220 . 1 1 19 19 GLN HB2 H 1 2.318 0.027 . 2 . . . . 19 Q HB2 . 17320 1 221 . 1 1 19 19 GLN HB3 H 1 2.170 0.027 . 2 . . . . 19 Q HB3 . 17320 1 222 . 1 1 19 19 GLN HG2 H 1 2.323 0.027 . 2 . . . . 19 Q HG2 . 17320 1 223 . 1 1 19 19 GLN HG3 H 1 2.091 0.027 . 2 . . . . 19 Q HG3 . 17320 1 224 . 1 1 19 19 GLN HE21 H 1 8.792 0.027 . 2 . . . . 19 Q HE21 . 17320 1 225 . 1 1 19 19 GLN HE22 H 1 6.766 0.027 . 2 . . . . 19 Q HE22 . 17320 1 226 . 1 1 19 19 GLN CA C 13 57.041 0.12 . 1 . . . . 19 Q CA . 17320 1 227 . 1 1 19 19 GLN CB C 13 31.027 0.12 . 1 . . . . 19 Q CB . 17320 1 228 . 1 1 19 19 GLN CG C 13 37.229 0.12 . 1 . . . . 19 Q CG . 17320 1 229 . 1 1 19 19 GLN N N 15 128.905 0.16 . 1 . . . . 19 Q N . 17320 1 230 . 1 1 19 19 GLN NE2 N 15 112.120 0.16 . 1 . . . . 19 Q NE2 . 17320 1 231 . 1 1 20 20 GLN H H 1 9.647 0.027 . 1 . . . . 20 Q HN . 17320 1 232 . 1 1 20 20 GLN HA H 1 4.134 0.027 . 1 . . . . 20 Q HA . 17320 1 233 . 1 1 20 20 GLN HB2 H 1 1.976 0.027 . 2 . . . . 20 Q QB . 17320 1 234 . 1 1 20 20 GLN HB3 H 1 1.976 0.027 . 2 . . . . 20 Q QB . 17320 1 235 . 1 1 20 20 GLN HG2 H 1 2.416 0.027 . 2 . . . . 20 Q QG . 17320 1 236 . 1 1 20 20 GLN HG3 H 1 2.416 0.027 . 2 . . . . 20 Q QG . 17320 1 237 . 1 1 20 20 GLN HE21 H 1 6.810 0.027 . 2 . . . . 20 Q HE21 . 17320 1 238 . 1 1 20 20 GLN HE22 H 1 7.409 0.027 . 2 . . . . 20 Q HE22 . 17320 1 239 . 1 1 20 20 GLN CA C 13 57.057 0.12 . 1 . . . . 20 Q CA . 17320 1 240 . 1 1 20 20 GLN CB C 13 28.463 0.12 . 1 . . . . 20 Q CB . 17320 1 241 . 1 1 20 20 GLN CG C 13 33.252 0.12 . 1 . . . . 20 Q CG . 17320 1 242 . 1 1 20 20 GLN N N 15 123.028 0.16 . 1 . . . . 20 Q N . 17320 1 243 . 1 1 20 20 GLN NE2 N 15 110.601 0.16 . 1 . . . . 20 Q NE2 . 17320 1 244 . 1 1 21 21 GLY H H 1 8.849 0.027 . 1 . . . . 21 G HN . 17320 1 245 . 1 1 21 21 GLY HA2 H 1 3.990 0.027 . 2 . . . . 21 G HA1 . 17320 1 246 . 1 1 21 21 GLY HA3 H 1 3.809 0.027 . 2 . . . . 21 G HA2 . 17320 1 247 . 1 1 21 21 GLY CA C 13 45.522 0.12 . 1 . . . . 21 G CA . 17320 1 248 . 1 1 21 21 GLY N N 15 110.076 0.16 . 1 . . . . 21 G N . 17320 1 249 . 1 1 22 22 CYS H H 1 7.630 0.027 . 1 . . . . 22 C HN . 17320 1 250 . 1 1 22 22 CYS HA H 1 4.762 0.027 . 1 . . . . 22 C HA . 17320 1 251 . 1 1 22 22 CYS HB2 H 1 2.917 0.027 . 2 . . . . 22 C HB2 . 17320 1 252 . 1 1 22 22 CYS HB3 H 1 3.043 0.027 . 2 . . . . 22 C HB3 . 17320 1 253 . 1 1 22 22 CYS CA C 13 56.960 0.12 . 1 . . . . 22 C CA . 17320 1 254 . 1 1 22 22 CYS CB C 13 29.736 0.12 . 1 . . . . 22 C CB . 17320 1 255 . 1 1 22 22 CYS N N 15 116.427 0.16 . 1 . . . . 22 C N . 17320 1 256 . 1 1 23 23 ASN H H 1 9.265 0.027 . 1 . . . . 23 N HN . 17320 1 257 . 1 1 23 23 ASN HA H 1 4.822 0.027 . 1 . . . . 23 N HA . 17320 1 258 . 1 1 23 23 ASN HB2 H 1 2.697 0.027 . 2 . . . . 23 N HB2 . 17320 1 259 . 1 1 23 23 ASN HB3 H 1 2.719 0.027 . 2 . . . . 23 N HB3 . 17320 1 260 . 1 1 23 23 ASN HD21 H 1 7.130 0.027 . 2 . . . . 23 N HD21 . 17320 1 261 . 1 1 23 23 ASN HD22 H 1 7.602 0.027 . 2 . . . . 23 N HD22 . 17320 1 262 . 1 1 23 23 ASN CA C 13 53.277 0.12 . 1 . . . . 23 N CA . 17320 1 263 . 1 1 23 23 ASN CB C 13 39.454 0.12 . 1 . . . . 23 N CB . 17320 1 264 . 1 1 23 23 ASN N N 15 121.705 0.16 . 1 . . . . 23 N N . 17320 1 265 . 1 1 23 23 ASN ND2 N 15 113.679 0.16 . 1 . . . . 23 N ND2 . 17320 1 266 . 1 1 24 24 GLU H H 1 8.099 0.027 . 1 . . . . 24 E HN . 17320 1 267 . 1 1 24 24 GLU HA H 1 4.638 0.027 . 1 . . . . 24 E HA . 17320 1 268 . 1 1 24 24 GLU HB2 H 1 2.028 0.027 . 2 . . . . 24 E HB2 . 17320 1 269 . 1 1 24 24 GLU HB3 H 1 1.913 0.027 . 2 . . . . 24 E HB3 . 17320 1 270 . 1 1 24 24 GLU HG2 H 1 2.157 0.027 . 2 . . . . 24 E QG . 17320 1 271 . 1 1 24 24 GLU HG3 H 1 2.157 0.027 . 2 . . . . 24 E QG . 17320 1 272 . 1 1 24 24 GLU CA C 13 56.178 0.12 . 1 . . . . 24 E CA . 17320 1 273 . 1 1 24 24 GLU CB C 13 30.212 0.12 . 1 . . . . 24 E CB . 17320 1 274 . 1 1 24 24 GLU CG C 13 36.470 0.12 . 1 . . . . 24 E CG . 17320 1 275 . 1 1 24 24 GLU N N 15 120.297 0.16 . 1 . . . . 24 E N . 17320 1 276 . 1 1 25 25 LEU H H 1 11.500 0.027 . 1 . . . . 25 L HN . 17320 1 277 . 1 1 25 25 LEU HA H 1 4.807 0.027 . 1 . . . . 25 L HA . 17320 1 278 . 1 1 25 25 LEU HB2 H 1 1.000 0.027 . 2 . . . . 25 L HB2 . 17320 1 279 . 1 1 25 25 LEU HB3 H 1 1.583 0.027 . 2 . . . . 25 L HB3 . 17320 1 280 . 1 1 25 25 LEU HD11 H 1 0.737 0.027 . 1 . . . . 25 L QD1 . 17320 1 281 . 1 1 25 25 LEU HD12 H 1 0.737 0.027 . 1 . . . . 25 L QD1 . 17320 1 282 . 1 1 25 25 LEU HD13 H 1 0.737 0.027 . 1 . . . . 25 L QD1 . 17320 1 283 . 1 1 25 25 LEU HD21 H 1 2.046 0.027 . 1 . . . . 25 L QD2 . 17320 1 284 . 1 1 25 25 LEU HD22 H 1 2.046 0.027 . 1 . . . . 25 L QD2 . 17320 1 285 . 1 1 25 25 LEU HD23 H 1 2.046 0.027 . 1 . . . . 25 L QD2 . 17320 1 286 . 1 1 25 25 LEU CA C 13 56.000 0.12 . 1 . . . . 25 L CA . 17320 1 287 . 1 1 25 25 LEU CB C 13 44.764 0.12 . 1 . . . . 25 L CB . 17320 1 288 . 1 1 25 25 LEU CD1 C 13 26.500 0.12 . 2 . . . . 25 L CD1 . 17320 1 289 . 1 1 25 25 LEU CD2 C 13 26.475 0.12 . 2 . . . . 25 L CD2 . 17320 1 290 . 1 1 25 25 LEU N N 15 130.000 0.16 . 1 . . . . 25 L N . 17320 1 291 . 1 1 26 26 LEU H H 1 8.374 0.027 . 1 . . . . 26 L HN . 17320 1 292 . 1 1 26 26 LEU HA H 1 5.110 0.027 . 1 . . . . 26 L HA . 17320 1 293 . 1 1 26 26 LEU HB2 H 1 1.553 0.027 . 2 . . . . 26 L HB2 . 17320 1 294 . 1 1 26 26 LEU HB3 H 1 1.667 0.027 . 2 . . . . 26 L HB3 . 17320 1 295 . 1 1 26 26 LEU HG H 1 1.498 0.027 . 1 . . . . 26 L HG . 17320 1 296 . 1 1 26 26 LEU HD11 H 1 0.701 0.027 . 1 . . . . 26 L QD1 . 17320 1 297 . 1 1 26 26 LEU HD12 H 1 0.701 0.027 . 1 . . . . 26 L QD1 . 17320 1 298 . 1 1 26 26 LEU HD13 H 1 0.701 0.027 . 1 . . . . 26 L QD1 . 17320 1 299 . 1 1 26 26 LEU HD21 H 1 0.904 0.027 . 1 . . . . 26 L QD2 . 17320 1 300 . 1 1 26 26 LEU HD22 H 1 0.904 0.027 . 1 . . . . 26 L QD2 . 17320 1 301 . 1 1 26 26 LEU HD23 H 1 0.904 0.027 . 1 . . . . 26 L QD2 . 17320 1 302 . 1 1 26 26 LEU CA C 13 50.796 0.12 . 1 . . . . 26 L CA . 17320 1 303 . 1 1 26 26 LEU CB C 13 44.144 0.12 . 1 . . . . 26 L CB . 17320 1 304 . 1 1 26 26 LEU CG C 13 27.279 0.12 . 1 . . . . 26 L CG . 17320 1 305 . 1 1 26 26 LEU CD1 C 13 25.452 0.12 . 2 . . . . 26 L CD1 . 17320 1 306 . 1 1 26 26 LEU CD2 C 13 24.827 0.12 . 2 . . . . 26 L CD2 . 17320 1 307 . 1 1 26 26 LEU N N 15 120.796 0.16 . 1 . . . . 26 L N . 17320 1 308 . 1 1 27 27 PRO HA H 1 4.547 0.027 . 1 . . . . 27 P HA . 17320 1 309 . 1 1 27 27 PRO HB2 H 1 1.969 0.027 . 2 . . . . 27 P HB2 . 17320 1 310 . 1 1 27 27 PRO HB3 H 1 1.914 0.027 . 2 . . . . 27 P HB3 . 17320 1 311 . 1 1 27 27 PRO HG2 H 1 2.347 0.027 . 2 . . . . 27 P HG2 . 17320 1 312 . 1 1 27 27 PRO HG3 H 1 1.906 0.027 . 2 . . . . 27 P HG3 . 17320 1 313 . 1 1 27 27 PRO HD2 H 1 3.941 0.027 . 2 . . . . 27 P HD2 . 17320 1 314 . 1 1 27 27 PRO HD3 H 1 3.782 0.027 . 2 . . . . 27 P HD3 . 17320 1 315 . 1 1 27 27 PRO CA C 13 61.833 0.12 . 1 . . . . 27 P CA . 17320 1 316 . 1 1 27 27 PRO CB C 13 33.586 0.12 . 1 . . . . 27 P CB . 17320 1 317 . 1 1 27 27 PRO CG C 13 27.002 0.12 . 1 . . . . 27 P CG . 17320 1 318 . 1 1 27 27 PRO CD C 13 50.788 0.12 . 1 . . . . 27 P CD . 17320 1 319 . 1 1 28 28 LEU H H 1 8.800 0.027 . 1 . . . . 28 L HN . 17320 1 320 . 1 1 28 28 LEU HA H 1 4.605 0.027 . 1 . . . . 28 L HA . 17320 1 321 . 1 1 28 28 LEU HB2 H 1 1.214 0.027 . 2 . . . . 28 L HB2 . 17320 1 322 . 1 1 28 28 LEU HB3 H 1 1.983 0.027 . 2 . . . . 28 L HB3 . 17320 1 323 . 1 1 28 28 LEU HG H 1 0.899 0.027 . 1 . . . . 28 L HG . 17320 1 324 . 1 1 28 28 LEU HD11 H 1 1.577 0.027 . 1 . . . . 28 L QD1 . 17320 1 325 . 1 1 28 28 LEU HD12 H 1 1.577 0.027 . 1 . . . . 28 L QD1 . 17320 1 326 . 1 1 28 28 LEU HD13 H 1 1.577 0.027 . 1 . . . . 28 L QD1 . 17320 1 327 . 1 1 28 28 LEU HD21 H 1 0.743 0.027 . 1 . . . . 28 L QD2 . 17320 1 328 . 1 1 28 28 LEU HD22 H 1 0.743 0.027 . 1 . . . . 28 L QD2 . 17320 1 329 . 1 1 28 28 LEU HD23 H 1 0.743 0.027 . 1 . . . . 28 L QD2 . 17320 1 330 . 1 1 28 28 LEU CA C 13 52.864 0.12 . 1 . . . . 28 L CA . 17320 1 331 . 1 1 28 28 LEU CB C 13 44.150 0.12 . 1 . . . . 28 L CB . 17320 1 332 . 1 1 28 28 LEU CG C 13 28.173 0.12 . 1 . . . . 28 L CG . 17320 1 333 . 1 1 28 28 LEU CD1 C 13 25.789 0.12 . 2 . . . . 28 L CD1 . 17320 1 334 . 1 1 28 28 LEU CD2 C 13 23.904 0.12 . 2 . . . . 28 L CD2 . 17320 1 335 . 1 1 28 28 LEU N N 15 124.341 0.16 . 1 . . . . 28 L N . 17320 1 336 . 1 1 29 29 ARG H H 1 9.162 0.027 . 1 . . . . 29 R HN . 17320 1 337 . 1 1 29 29 ARG HA H 1 4.089 0.027 . 1 . . . . 29 R HA . 17320 1 338 . 1 1 29 29 ARG HB2 H 1 1.940 0.027 . 2 . . . . 29 R QB . 17320 1 339 . 1 1 29 29 ARG HB3 H 1 1.940 0.027 . 2 . . . . 29 R QB . 17320 1 340 . 1 1 29 29 ARG HG2 H 1 1.592 0.027 . 2 . . . . 29 R HG2 . 17320 1 341 . 1 1 29 29 ARG HG3 H 1 1.722 0.027 . 2 . . . . 29 R HG3 . 17320 1 342 . 1 1 29 29 ARG HD2 H 1 3.222 0.027 . 2 . . . . 29 R QD . 17320 1 343 . 1 1 29 29 ARG HD3 H 1 3.222 0.027 . 2 . . . . 29 R QD . 17320 1 344 . 1 1 29 29 ARG HE H 1 7.525 0.027 . 1 . . . . 29 R HE . 17320 1 345 . 1 1 29 29 ARG CA C 13 59.551 0.12 . 1 . . . . 29 R CA . 17320 1 346 . 1 1 29 29 ARG CB C 13 31.023 0.12 . 1 . . . . 29 R CB . 17320 1 347 . 1 1 29 29 ARG CG C 13 28.975 0.12 . 1 . . . . 29 R CG . 17320 1 348 . 1 1 29 29 ARG CD C 13 43.179 0.12 . 1 . . . . 29 R CD . 17320 1 349 . 1 1 29 29 ARG N N 15 122.474 0.16 . 1 . . . . 29 R N . 17320 1 350 . 1 1 29 29 ARG NE N 15 83.479 0.16 . 1 . . . . 29 R NE . 17320 1 351 . 1 1 30 30 THR H H 1 7.545 0.027 . 1 . . . . 30 T HN . 17320 1 352 . 1 1 30 30 THR HA H 1 4.169 0.027 . 1 . . . . 30 T HA . 17320 1 353 . 1 1 30 30 THR HB H 1 4.288 0.027 . 1 . . . . 30 T HB . 17320 1 354 . 1 1 30 30 THR HG21 H 1 1.060 0.027 . 1 . . . . 30 T QG2 . 17320 1 355 . 1 1 30 30 THR HG22 H 1 1.060 0.027 . 1 . . . . 30 T QG2 . 17320 1 356 . 1 1 30 30 THR HG23 H 1 1.060 0.027 . 1 . . . . 30 T QG2 . 17320 1 357 . 1 1 30 30 THR CA C 13 58.038 0.12 . 1 . . . . 30 T CA . 17320 1 358 . 1 1 30 30 THR CB C 13 74.080 0.12 . 1 . . . . 30 T CB . 17320 1 359 . 1 1 30 30 THR CG2 C 13 21.479 0.12 . 1 . . . . 30 T CG2 . 17320 1 360 . 1 1 30 30 THR N N 15 102.557 0.16 . 1 . . . . 30 T N . 17320 1 361 . 1 1 31 31 ASN H H 1 8.203 0.027 . 1 . . . . 31 N HN . 17320 1 362 . 1 1 31 31 ASN HA H 1 3.459 0.027 . 1 . . . . 31 N HA . 17320 1 363 . 1 1 31 31 ASN HB2 H 1 2.604 0.027 . 2 . . . . 31 N HB2 . 17320 1 364 . 1 1 31 31 ASN HB3 H 1 2.574 0.027 . 2 . . . . 31 N HB3 . 17320 1 365 . 1 1 31 31 ASN HD21 H 1 7.501 0.027 . 2 . . . . 31 N HD21 . 17320 1 366 . 1 1 31 31 ASN HD22 H 1 6.979 0.027 . 2 . . . . 31 N HD22 . 17320 1 367 . 1 1 31 31 ASN CA C 13 55.517 0.12 . 1 . . . . 31 N CA . 17320 1 368 . 1 1 31 31 ASN CB C 13 38.857 0.12 . 1 . . . . 31 N CB . 17320 1 369 . 1 1 31 31 ASN N N 15 116.478 0.16 . 1 . . . . 31 N N . 17320 1 370 . 1 1 31 31 ASN ND2 N 15 111.512 0.16 . 1 . . . . 31 N ND2 . 17320 1 371 . 1 1 32 32 ASP H H 1 7.814 0.027 . 1 . . . . 32 D HN . 17320 1 372 . 1 1 32 32 ASP HA H 1 4.244 0.027 . 1 . . . . 32 D HA . 17320 1 373 . 1 1 32 32 ASP HB2 H 1 2.471 0.027 . 2 . . . . 32 D QB . 17320 1 374 . 1 1 32 32 ASP HB3 H 1 2.471 0.027 . 2 . . . . 32 D QB . 17320 1 375 . 1 1 32 32 ASP CA C 13 57.233 0.12 . 1 . . . . 32 D CA . 17320 1 376 . 1 1 32 32 ASP CB C 13 40.099 0.12 . 1 . . . . 32 D CB . 17320 1 377 . 1 1 32 32 ASP N N 15 117.344 0.16 . 1 . . . . 32 D N . 17320 1 378 . 1 1 33 33 ASP H H 1 7.421 0.027 . 1 . . . . 33 D HN . 17320 1 379 . 1 1 33 33 ASP HA H 1 4.359 0.027 . 1 . . . . 33 D HA . 17320 1 380 . 1 1 33 33 ASP HB2 H 1 2.745 0.027 . 2 . . . . 33 D HB2 . 17320 1 381 . 1 1 33 33 ASP HB3 H 1 2.810 0.027 . 2 . . . . 33 D HB3 . 17320 1 382 . 1 1 33 33 ASP CA C 13 57.117 0.12 . 1 . . . . 33 D CA . 17320 1 383 . 1 1 33 33 ASP CB C 13 41.106 0.12 . 1 . . . . 33 D CB . 17320 1 384 . 1 1 33 33 ASP N N 15 118.366 0.16 . 1 . . . . 33 D N . 17320 1 385 . 1 1 34 34 TRP H H 1 7.202 0.027 . 1 . . . . 34 W HN . 17320 1 386 . 1 1 34 34 TRP HA H 1 4.537 0.027 . 1 . . . . 34 W HA . 17320 1 387 . 1 1 34 34 TRP HB2 H 1 3.326 0.027 . 2 . . . . 34 W HB2 . 17320 1 388 . 1 1 34 34 TRP HB3 H 1 3.048 0.027 . 2 . . . . 34 W HB3 . 17320 1 389 . 1 1 34 34 TRP HD1 H 1 7.223 0.027 . 1 . . . . 34 W HD1 . 17320 1 390 . 1 1 34 34 TRP HE1 H 1 10.019 0.027 . 1 . . . . 34 W HE1 . 17320 1 391 . 1 1 34 34 TRP HE3 H 1 7.383 0.027 . 1 . . . . 34 W HE3 . 17320 1 392 . 1 1 34 34 TRP HZ2 H 1 7.522 0.027 . 1 . . . . 34 W HZ2 . 17320 1 393 . 1 1 34 34 TRP HZ3 H 1 6.672 0.027 . 1 . . . . 34 W HZ3 . 17320 1 394 . 1 1 34 34 TRP HH2 H 1 7.329 0.027 . 1 . . . . 34 W HH2 . 17320 1 395 . 1 1 34 34 TRP CA C 13 59.080 0.12 . 1 . . . . 34 W CA . 17320 1 396 . 1 1 34 34 TRP CB C 13 30.344 0.12 . 1 . . . . 34 W CB . 17320 1 397 . 1 1 34 34 TRP CD1 C 13 124.901 0.12 . 1 . . . . 34 W CD1 . 17320 1 398 . 1 1 34 34 TRP CE3 C 13 118.343 0.12 . 1 . . . . 34 W CE3 . 17320 1 399 . 1 1 34 34 TRP CZ2 C 13 112.531 0.12 . 1 . . . . 34 W CZ2 . 17320 1 400 . 1 1 34 34 TRP CZ3 C 13 119.193 0.12 . 1 . . . . 34 W CZ3 . 17320 1 401 . 1 1 34 34 TRP CH2 C 13 122.720 0.12 . 1 . . . . 34 W CH2 . 17320 1 402 . 1 1 34 34 TRP N N 15 121.477 0.16 . 1 . . . . 34 W N . 17320 1 403 . 1 1 34 34 TRP NE1 N 15 127.840 0.16 . 1 . . . . 34 W NE1 . 17320 1 404 . 1 1 35 35 GLN H H 1 8.475 0.027 . 1 . . . . 35 Q HN . 17320 1 405 . 1 1 35 35 GLN HA H 1 3.671 0.027 . 1 . . . . 35 Q HA . 17320 1 406 . 1 1 35 35 GLN HB2 H 1 2.103 0.027 . 2 . . . . 35 Q QB . 17320 1 407 . 1 1 35 35 GLN HB3 H 1 2.103 0.027 . 2 . . . . 35 Q QB . 17320 1 408 . 1 1 35 35 GLN HG2 H 1 2.569 0.027 . 2 . . . . 35 Q HG2 . 17320 1 409 . 1 1 35 35 GLN HG3 H 1 2.481 0.027 . 2 . . . . 35 Q HG3 . 17320 1 410 . 1 1 35 35 GLN HE21 H 1 7.492 0.027 . 2 . . . . 35 Q HE21 . 17320 1 411 . 1 1 35 35 GLN HE22 H 1 6.892 0.027 . 2 . . . . 35 Q HE22 . 17320 1 412 . 1 1 35 35 GLN CA C 13 58.779 0.12 . 1 . . . . 35 Q CA . 17320 1 413 . 1 1 35 35 GLN CB C 13 27.545 0.12 . 1 . . . . 35 Q CB . 17320 1 414 . 1 1 35 35 GLN CG C 13 33.636 0.12 . 1 . . . . 35 Q CG . 17320 1 415 . 1 1 35 35 GLN N N 15 117.649 0.16 . 1 . . . . 35 Q N . 17320 1 416 . 1 1 35 35 GLN NE2 N 15 111.737 0.16 . 1 . . . . 35 Q NE2 . 17320 1 417 . 1 1 36 36 ARG H H 1 7.930 0.027 . 1 . . . . 36 R HN . 17320 1 418 . 1 1 36 36 ARG HA H 1 3.919 0.027 . 1 . . . . 36 R HA . 17320 1 419 . 1 1 36 36 ARG HB2 H 1 1.873 0.027 . 2 . . . . 36 R QB . 17320 1 420 . 1 1 36 36 ARG HB3 H 1 1.873 0.027 . 2 . . . . 36 R QB . 17320 1 421 . 1 1 36 36 ARG HG2 H 1 1.569 0.027 . 2 . . . . 36 R HG2 . 17320 1 422 . 1 1 36 36 ARG HG3 H 1 1.736 0.027 . 2 . . . . 36 R HG3 . 17320 1 423 . 1 1 36 36 ARG HD2 H 1 3.238 0.027 . 2 . . . . 36 R HD2 . 17320 1 424 . 1 1 36 36 ARG HD3 H 1 3.175 0.027 . 2 . . . . 36 R HD3 . 17320 1 425 . 1 1 36 36 ARG CA C 13 59.200 0.12 . 1 . . . . 36 R CA . 17320 1 426 . 1 1 36 36 ARG CB C 13 30.220 0.12 . 1 . . . . 36 R CB . 17320 1 427 . 1 1 36 36 ARG CG C 13 27.990 0.12 . 1 . . . . 36 R CG . 17320 1 428 . 1 1 36 36 ARG CD C 13 43.041 0.12 . 1 . . . . 36 R CD . 17320 1 429 . 1 1 36 36 ARG N N 15 118.295 0.16 . 1 . . . . 36 R N . 17320 1 430 . 1 1 37 37 PHE H H 1 7.942 0.027 . 1 . . . . 37 F HN . 17320 1 431 . 1 1 37 37 PHE HA H 1 4.158 0.027 . 1 . . . . 37 F HA . 17320 1 432 . 1 1 37 37 PHE HB2 H 1 3.103 0.027 . 2 . . . . 37 F QB . 17320 1 433 . 1 1 37 37 PHE HB3 H 1 3.103 0.027 . 2 . . . . 37 F QB . 17320 1 434 . 1 1 37 37 PHE HD1 H 1 6.829 0.027 . 3 . . . . 37 F QD . 17320 1 435 . 1 1 37 37 PHE HD2 H 1 6.829 0.027 . 3 . . . . 37 F QD . 17320 1 436 . 1 1 37 37 PHE HE1 H 1 6.864 0.027 . 3 . . . . 37 F QE . 17320 1 437 . 1 1 37 37 PHE HE2 H 1 6.864 0.027 . 3 . . . . 37 F QE . 17320 1 438 . 1 1 37 37 PHE CA C 13 61.157 0.12 . 1 . . . . 37 F CA . 17320 1 439 . 1 1 37 37 PHE CB C 13 38.568 0.12 . 1 . . . . 37 F CB . 17320 1 440 . 1 1 37 37 PHE CD1 C 13 129.800 0.12 . 3 . . . . 37 F CD1 . 17320 1 441 . 1 1 37 37 PHE CD2 C 13 129.800 0.12 . 3 . . . . 37 F CD2 . 17320 1 442 . 1 1 37 37 PHE CE1 C 13 128.477 0.12 . 3 . . . . 37 F CE1 . 17320 1 443 . 1 1 37 37 PHE CE2 C 13 128.477 0.12 . 3 . . . . 37 F CE2 . 17320 1 444 . 1 1 37 37 PHE N N 15 120.290 0.16 . 1 . . . . 37 F N . 17320 1 445 . 1 1 38 38 CYS H H 1 7.941 0.027 . 1 . . . . 38 C HN . 17320 1 446 . 1 1 38 38 CYS HA H 1 3.574 0.027 . 1 . . . . 38 C HA . 17320 1 447 . 1 1 38 38 CYS HB2 H 1 2.524 0.027 . 2 . . . . 38 C HB2 . 17320 1 448 . 1 1 38 38 CYS HB3 H 1 2.409 0.027 . 2 . . . . 38 C HB3 . 17320 1 449 . 1 1 38 38 CYS CA C 13 62.258 0.12 . 1 . . . . 38 C CA . 17320 1 450 . 1 1 38 38 CYS CB C 13 26.745 0.12 . 1 . . . . 38 C CB . 17320 1 451 . 1 1 38 38 CYS N N 15 114.950 0.16 . 1 . . . . 38 C N . 17320 1 452 . 1 1 39 39 ALA H H 1 7.454 0.027 . 1 . . . . 39 A HN . 17320 1 453 . 1 1 39 39 ALA HA H 1 4.086 0.027 . 1 . . . . 39 A HA . 17320 1 454 . 1 1 39 39 ALA HB1 H 1 1.350 0.027 . 1 . . . . 39 A QB . 17320 1 455 . 1 1 39 39 ALA HB2 H 1 1.350 0.027 . 1 . . . . 39 A QB . 17320 1 456 . 1 1 39 39 ALA HB3 H 1 1.350 0.027 . 1 . . . . 39 A QB . 17320 1 457 . 1 1 39 39 ALA CA C 13 52.854 0.12 . 1 . . . . 39 A CA . 17320 1 458 . 1 1 39 39 ALA CB C 13 18.511 0.12 . 1 . . . . 39 A CB . 17320 1 459 . 1 1 39 39 ALA N N 15 119.389 0.16 . 1 . . . . 39 A N . 17320 1 460 . 1 1 40 40 ASP H H 1 7.123 0.027 . 1 . . . . 40 D HN . 17320 1 461 . 1 1 40 40 ASP HA H 1 4.534 0.027 . 1 . . . . 40 D HA . 17320 1 462 . 1 1 40 40 ASP HB2 H 1 2.489 0.027 . 2 . . . . 40 D HB2 . 17320 1 463 . 1 1 40 40 ASP HB3 H 1 2.528 0.027 . 2 . . . . 40 D HB3 . 17320 1 464 . 1 1 40 40 ASP CA C 13 53.744 0.12 . 1 . . . . 40 D CA . 17320 1 465 . 1 1 40 40 ASP CB C 13 41.439 0.12 . 1 . . . . 40 D CB . 17320 1 466 . 1 1 40 40 ASP N N 15 116.473 0.16 . 1 . . . . 40 D N . 17320 1 467 . 1 1 41 41 SER H H 1 8.264 0.027 . 1 . . . . 41 S HN . 17320 1 468 . 1 1 41 41 SER HA H 1 4.213 0.027 . 1 . . . . 41 S HA . 17320 1 469 . 1 1 41 41 SER HB2 H 1 3.762 0.027 . 2 . . . . 41 S QB . 17320 1 470 . 1 1 41 41 SER HB3 H 1 3.762 0.027 . 2 . . . . 41 S QB . 17320 1 471 . 1 1 41 41 SER CA C 13 59.146 0.12 . 1 . . . . 41 S CA . 17320 1 472 . 1 1 41 41 SER CB C 13 63.003 0.12 . 1 . . . . 41 S CB . 17320 1 473 . 1 1 41 41 SER N N 15 117.490 0.16 . 1 . . . . 41 S N . 17320 1 474 . 1 1 42 42 LYS H H 1 8.183 0.027 . 1 . . . . 42 K HN . 17320 1 475 . 1 1 42 42 LYS HA H 1 3.995 0.027 . 1 . . . . 42 K HA . 17320 1 476 . 1 1 42 42 LYS HB2 H 1 1.641 0.027 . 2 . . . . 42 K QB . 17320 1 477 . 1 1 42 42 LYS HB3 H 1 1.641 0.027 . 2 . . . . 42 K QB . 17320 1 478 . 1 1 42 42 LYS HG2 H 1 1.283 0.027 . 2 . . . . 42 K QG . 17320 1 479 . 1 1 42 42 LYS HG3 H 1 1.283 0.027 . 2 . . . . 42 K QG . 17320 1 480 . 1 1 42 42 LYS HD2 H 1 1.589 0.027 . 2 . . . . 42 K QD . 17320 1 481 . 1 1 42 42 LYS HD3 H 1 1.589 0.027 . 2 . . . . 42 K QD . 17320 1 482 . 1 1 42 42 LYS HE2 H 1 2.943 0.027 . 2 . . . . 42 K QE . 17320 1 483 . 1 1 42 42 LYS HE3 H 1 2.943 0.027 . 2 . . . . 42 K QE . 17320 1 484 . 1 1 42 42 LYS CA C 13 57.203 0.12 . 1 . . . . 42 K CA . 17320 1 485 . 1 1 42 42 LYS CB C 13 31.605 0.12 . 1 . . . . 42 K CB . 17320 1 486 . 1 1 42 42 LYS CG C 13 24.418 0.12 . 1 . . . . 42 K CG . 17320 1 487 . 1 1 42 42 LYS CD C 13 28.592 0.12 . 1 . . . . 42 K CD . 17320 1 488 . 1 1 42 42 LYS CE C 13 41.668 0.12 . 1 . . . . 42 K CE . 17320 1 489 . 1 1 42 42 LYS N N 15 119.406 0.16 . 1 . . . . 42 K N . 17320 1 490 . 1 1 43 43 HIS H H 1 7.788 0.027 . 1 . . . . 43 H HN . 17320 1 491 . 1 1 43 43 HIS HA H 1 4.638 0.027 . 1 . . . . 43 H HA . 17320 1 492 . 1 1 43 43 HIS HB2 H 1 2.812 0.027 . 2 . . . . 43 H HB2 . 17320 1 493 . 1 1 43 43 HIS HB3 H 1 2.606 0.027 . 2 . . . . 43 H HB3 . 17320 1 494 . 1 1 43 43 HIS HD2 H 1 7.035 0.027 . 1 . . . . 43 H HD2 . 17320 1 495 . 1 1 43 43 HIS CA C 13 54.264 0.12 . 1 . . . . 43 H CA . 17320 1 496 . 1 1 43 43 HIS CB C 13 29.420 0.12 . 1 . . . . 43 H CB . 17320 1 497 . 1 1 43 43 HIS CD2 C 13 117.399 0.12 . 1 . . . . 43 H CD2 . 17320 1 498 . 1 1 43 43 HIS N N 15 116.142 0.16 . 1 . . . . 43 H N . 17320 1 499 . 1 1 44 44 LEU H H 1 8.199 0.027 . 1 . . . . 44 L HN . 17320 1 500 . 1 1 44 44 LEU HA H 1 4.384 0.027 . 1 . . . . 44 L HA . 17320 1 501 . 1 1 44 44 LEU HB2 H 1 1.534 0.027 . 2 . . . . 44 L HB2 . 17320 1 502 . 1 1 44 44 LEU HG H 1 1.312 0.027 . 1 . . . . 44 L HG . 17320 1 503 . 1 1 44 44 LEU HD11 H 1 0.867 0.027 . 1 . . . . 44 L QD1 . 17320 1 504 . 1 1 44 44 LEU HD12 H 1 0.867 0.027 . 1 . . . . 44 L QD1 . 17320 1 505 . 1 1 44 44 LEU HD13 H 1 0.867 0.027 . 1 . . . . 44 L QD1 . 17320 1 506 . 1 1 44 44 LEU HD21 H 1 0.787 0.027 . 1 . . . . 44 L QD2 . 17320 1 507 . 1 1 44 44 LEU HD22 H 1 0.787 0.027 . 1 . . . . 44 L QD2 . 17320 1 508 . 1 1 44 44 LEU HD23 H 1 0.787 0.027 . 1 . . . . 44 L QD2 . 17320 1 509 . 1 1 44 44 LEU CA C 13 54.130 0.12 . 1 . . . . 44 L CA . 17320 1 510 . 1 1 44 44 LEU CB C 13 42.964 0.12 . 1 . . . . 44 L CB . 17320 1 511 . 1 1 44 44 LEU CG C 13 26.740 0.12 . 1 . . . . 44 L CG . 17320 1 512 . 1 1 44 44 LEU CD1 C 13 24.415 0.12 . 2 . . . . 44 L CD1 . 17320 1 513 . 1 1 44 44 LEU CD2 C 13 23.851 0.12 . 2 . . . . 44 L CD2 . 17320 1 514 . 1 1 44 44 LEU N N 15 122.423 0.16 . 1 . . . . 44 L N . 17320 1 515 . 1 1 45 45 LEU H H 1 8.242 0.027 . 1 . . . . 45 L HN . 17320 1 516 . 1 1 45 45 LEU HA H 1 4.635 0.027 . 1 . . . . 45 L HA . 17320 1 517 . 1 1 45 45 LEU HB2 H 1 1.794 0.027 . 2 . . . . 45 L HB2 . 17320 1 518 . 1 1 45 45 LEU HB3 H 1 1.476 0.027 . 2 . . . . 45 L HB3 . 17320 1 519 . 1 1 45 45 LEU HG H 1 1.931 0.027 . 1 . . . . 45 L HG . 17320 1 520 . 1 1 45 45 LEU HD11 H 1 1.451 0.027 . 1 . . . . 45 L QD1 . 17320 1 521 . 1 1 45 45 LEU HD12 H 1 1.451 0.027 . 1 . . . . 45 L QD1 . 17320 1 522 . 1 1 45 45 LEU HD13 H 1 1.451 0.027 . 1 . . . . 45 L QD1 . 17320 1 523 . 1 1 45 45 LEU HD21 H 1 1.416 0.027 . 1 . . . . 45 L QD2 . 17320 1 524 . 1 1 45 45 LEU HD22 H 1 1.416 0.027 . 1 . . . . 45 L QD2 . 17320 1 525 . 1 1 45 45 LEU HD23 H 1 1.416 0.027 . 1 . . . . 45 L QD2 . 17320 1 526 . 1 1 45 45 LEU CA C 13 54.359 0.12 . 1 . . . . 45 L CA . 17320 1 527 . 1 1 45 45 LEU CB C 13 42.665 0.12 . 1 . . . . 45 L CB . 17320 1 528 . 1 1 45 45 LEU CG C 13 27.534 0.12 . 1 . . . . 45 L CG . 17320 1 529 . 1 1 45 45 LEU CD1 C 13 23.986 0.12 . 2 . . . . 45 L CD1 . 17320 1 530 . 1 1 45 45 LEU CD2 C 13 26.563 0.12 . 2 . . . . 45 L CD2 . 17320 1 531 . 1 1 45 45 LEU N N 15 123.983 0.16 . 1 . . . . 45 L N . 17320 1 532 . 1 1 46 46 GLN H H 1 9.186 0.027 . 1 . . . . 46 Q HN . 17320 1 533 . 1 1 46 46 GLN HA H 1 4.422 0.027 . 1 . . . . 46 Q HA . 17320 1 534 . 1 1 46 46 GLN HB2 H 1 1.995 0.027 . 2 . . . . 46 Q QB . 17320 1 535 . 1 1 46 46 GLN HB3 H 1 1.995 0.027 . 2 . . . . 46 Q QB . 17320 1 536 . 1 1 46 46 GLN HG2 H 1 2.341 0.027 . 2 . . . . 46 Q HG2 . 17320 1 537 . 1 1 46 46 GLN HG3 H 1 2.198 0.027 . 2 . . . . 46 Q HG3 . 17320 1 538 . 1 1 46 46 GLN HE21 H 1 7.840 0.027 . 2 . . . . 46 Q HE21 . 17320 1 539 . 1 1 46 46 GLN HE22 H 1 6.891 0.027 . 2 . . . . 46 Q HE22 . 17320 1 540 . 1 1 46 46 GLN CA C 13 53.338 0.12 . 1 . . . . 46 Q CA . 17320 1 541 . 1 1 46 46 GLN CB C 13 32.903 0.12 . 1 . . . . 46 Q CB . 17320 1 542 . 1 1 46 46 GLN CG C 13 33.735 0.12 . 1 . . . . 46 Q CG . 17320 1 543 . 1 1 46 46 GLN N N 15 121.430 0.16 . 1 . . . . 46 Q N . 17320 1 544 . 1 1 46 46 GLN NE2 N 15 111.867 0.16 . 1 . . . . 46 Q NE2 . 17320 1 545 . 1 1 47 47 TYR H H 1 7.849 0.027 . 1 . . . . 47 Y HN . 17320 1 546 . 1 1 47 47 TYR HA H 1 4.107 0.027 . 1 . . . . 47 Y HA . 17320 1 547 . 1 1 47 47 TYR HB2 H 1 2.876 0.027 . 2 . . . . 47 Y QB . 17320 1 548 . 1 1 47 47 TYR HB3 H 1 2.876 0.027 . 2 . . . . 47 Y QB . 17320 1 549 . 1 1 47 47 TYR HD1 H 1 6.927 0.027 . 3 . . . . 47 Y QD . 17320 1 550 . 1 1 47 47 TYR HD2 H 1 6.927 0.027 . 3 . . . . 47 Y QD . 17320 1 551 . 1 1 47 47 TYR HE1 H 1 6.792 0.027 . 3 . . . . 47 Y QE . 17320 1 552 . 1 1 47 47 TYR HE2 H 1 6.792 0.027 . 3 . . . . 47 Y QE . 17320 1 553 . 1 1 47 47 TYR CA C 13 57.151 0.12 . 1 . . . . 47 Y CA . 17320 1 554 . 1 1 47 47 TYR CB C 13 36.549 0.12 . 1 . . . . 47 Y CB . 17320 1 555 . 1 1 47 47 TYR CD1 C 13 130.701 0.12 . 3 . . . . 47 Y CD1 . 17320 1 556 . 1 1 47 47 TYR CD2 C 13 130.701 0.12 . 3 . . . . 47 Y CD2 . 17320 1 557 . 1 1 47 47 TYR CE1 C 13 116.011 0.12 . 3 . . . . 47 Y CE1 . 17320 1 558 . 1 1 47 47 TYR CE2 C 13 116.011 0.12 . 3 . . . . 47 Y CE2 . 17320 1 559 . 1 1 47 47 TYR N N 15 119.296 0.16 . 1 . . . . 47 Y N . 17320 1 560 . 1 1 48 48 GLY H H 1 9.180 0.027 . 1 . . . . 48 G HN . 17320 1 561 . 1 1 48 48 GLY HA2 H 1 3.290 0.027 . 2 . . . . 48 G HA1 . 17320 1 562 . 1 1 48 48 GLY HA3 H 1 4.386 0.027 . 2 . . . . 48 G HA2 . 17320 1 563 . 1 1 48 48 GLY CA C 13 44.320 0.12 . 1 . . . . 48 G CA . 17320 1 564 . 1 1 48 48 GLY N N 15 112.750 0.16 . 1 . . . . 48 G N . 17320 1 565 . 1 1 49 49 ASP H H 1 8.404 0.027 . 1 . . . . 49 D HN . 17320 1 566 . 1 1 49 49 ASP HA H 1 4.692 0.027 . 1 . . . . 49 D HA . 17320 1 567 . 1 1 49 49 ASP HB2 H 1 2.985 0.027 . 2 . . . . 49 D HB2 . 17320 1 568 . 1 1 49 49 ASP HB3 H 1 2.739 0.027 . 2 . . . . 49 D HB3 . 17320 1 569 . 1 1 49 49 ASP CA C 13 56.789 0.12 . 1 . . . . 49 D CA . 17320 1 570 . 1 1 49 49 ASP CB C 13 41.099 0.12 . 1 . . . . 49 D CB . 17320 1 571 . 1 1 49 49 ASP N N 15 125.058 0.16 . 1 . . . . 49 D N . 17320 1 572 . 1 1 50 50 LYS H H 1 8.371 0.027 . 1 . . . . 50 K HN . 17320 1 573 . 1 1 50 50 LYS HA H 1 5.918 0.027 . 1 . . . . 50 K HA . 17320 1 574 . 1 1 50 50 LYS HB2 H 1 1.767 0.027 . 2 . . . . 50 K HB2 . 17320 1 575 . 1 1 50 50 LYS HB3 H 1 1.880 0.027 . 2 . . . . 50 K HB3 . 17320 1 576 . 1 1 50 50 LYS HG2 H 1 1.456 0.027 . 2 . . . . 50 K HG2 . 17320 1 577 . 1 1 50 50 LYS HG3 H 1 1.353 0.027 . 2 . . . . 50 K HG3 . 17320 1 578 . 1 1 50 50 LYS HE2 H 1 2.779 0.027 . 2 . . . . 50 K HE2 . 17320 1 579 . 1 1 50 50 LYS HE3 H 1 2.835 0.027 . 2 . . . . 50 K HE3 . 17320 1 580 . 1 1 50 50 LYS CA C 13 55.067 0.12 . 1 . . . . 50 K CA . 17320 1 581 . 1 1 50 50 LYS CB C 13 38.111 0.12 . 1 . . . . 50 K CB . 17320 1 582 . 1 1 50 50 LYS CG C 13 25.027 0.12 . 1 . . . . 50 K CG . 17320 1 583 . 1 1 50 50 LYS CE C 13 41.509 0.12 . 1 . . . . 50 K CE . 17320 1 584 . 1 1 50 50 LYS N N 15 117.473 0.16 . 1 . . . . 50 K N . 17320 1 585 . 1 1 51 51 LEU H H 1 9.385 0.027 . 1 . . . . 51 L HN . 17320 1 586 . 1 1 51 51 LEU HA H 1 5.209 0.027 . 1 . . . . 51 L HA . 17320 1 587 . 1 1 51 51 LEU HB2 H 1 1.233 0.027 . 2 . . . . 51 L HB2 . 17320 1 588 . 1 1 51 51 LEU HB3 H 1 0.611 0.027 . 2 . . . . 51 L HB3 . 17320 1 589 . 1 1 51 51 LEU HG H 1 1.027 0.027 . 1 . . . . 51 L HG . 17320 1 590 . 1 1 51 51 LEU HD11 H 1 0.318 0.027 . 2 . . . . 51 L QD1 . 17320 1 591 . 1 1 51 51 LEU HD12 H 1 0.318 0.027 . 2 . . . . 51 L QD1 . 17320 1 592 . 1 1 51 51 LEU HD13 H 1 0.318 0.027 . 2 . . . . 51 L QD1 . 17320 1 593 . 1 1 51 51 LEU HD21 H 1 -1.090 0.027 . 2 . . . . 51 L QD2 . 17320 1 594 . 1 1 51 51 LEU HD22 H 1 -1.090 0.027 . 2 . . . . 51 L QD2 . 17320 1 595 . 1 1 51 51 LEU HD23 H 1 -1.090 0.027 . 2 . . . . 51 L QD2 . 17320 1 596 . 1 1 51 51 LEU CA C 13 52.751 0.12 . 1 . . . . 51 L CA . 17320 1 597 . 1 1 51 51 LEU CB C 13 46.421 0.12 . 1 . . . . 51 L CB . 17320 1 598 . 1 1 51 51 LEU CG C 13 26.247 0.12 . 1 . . . . 51 L CG . 17320 1 599 . 1 1 51 51 LEU CD1 C 13 24.638 0.12 . 2 . . . . 51 L CD1 . 17320 1 600 . 1 1 51 51 LEU CD2 C 13 24.266 0.12 . 2 . . . . 51 L CD2 . 17320 1 601 . 1 1 51 51 LEU N N 15 124.425 0.16 . 1 . . . . 51 L N . 17320 1 602 . 1 1 52 52 VAL H H 1 8.814 0.027 . 1 . . . . 52 V HN . 17320 1 603 . 1 1 52 52 VAL HA H 1 4.828 0.027 . 1 . . . . 52 V HA . 17320 1 604 . 1 1 52 52 VAL HB H 1 1.905 0.027 . 1 . . . . 52 V HB . 17320 1 605 . 1 1 52 52 VAL HG11 H 1 0.899 0.027 . 2 . . . . 52 V QG1 . 17320 1 606 . 1 1 52 52 VAL HG12 H 1 0.899 0.027 . 2 . . . . 52 V QG1 . 17320 1 607 . 1 1 52 52 VAL HG13 H 1 0.899 0.027 . 2 . . . . 52 V QG1 . 17320 1 608 . 1 1 52 52 VAL HG21 H 1 0.859 0.027 . 2 . . . . 52 V QG2 . 17320 1 609 . 1 1 52 52 VAL HG22 H 1 0.859 0.027 . 2 . . . . 52 V QG2 . 17320 1 610 . 1 1 52 52 VAL HG23 H 1 0.859 0.027 . 2 . . . . 52 V QG2 . 17320 1 611 . 1 1 52 52 VAL CA C 13 60.093 0.12 . 1 . . . . 52 V CA . 17320 1 612 . 1 1 52 52 VAL CB C 13 33.815 0.12 . 1 . . . . 52 V CB . 17320 1 613 . 1 1 52 52 VAL CG1 C 13 19.552 0.12 . 2 . . . . 52 V CG1 . 17320 1 614 . 1 1 52 52 VAL CG2 C 13 20.363 0.12 . 2 . . . . 52 V CG2 . 17320 1 615 . 1 1 52 52 VAL N N 15 120.592 0.16 . 1 . . . . 52 V N . 17320 1 616 . 1 1 53 53 ASP H H 1 9.220 0.027 . 1 . . . . 53 D HN . 17320 1 617 . 1 1 53 53 ASP HA H 1 5.053 0.027 . 1 . . . . 53 D HA . 17320 1 618 . 1 1 53 53 ASP HB2 H 1 3.610 0.027 . 2 . . . . 53 D HB2 . 17320 1 619 . 1 1 53 53 ASP HB3 H 1 2.097 0.027 . 2 . . . . 53 D HB3 . 17320 1 620 . 1 1 53 53 ASP CA C 13 51.278 0.12 . 1 . . . . 53 D CA . 17320 1 621 . 1 1 53 53 ASP CB C 13 42.511 0.12 . 1 . . . . 53 D CB . 17320 1 622 . 1 1 53 53 ASP N N 15 126.710 0.16 . 1 . . . . 53 D N . 17320 1 623 . 1 1 54 54 SER H H 1 7.655 0.027 . 1 . . . . 54 S HN . 17320 1 624 . 1 1 54 54 SER HA H 1 3.840 0.027 . 1 . . . . 54 S HA . 17320 1 625 . 1 1 54 54 SER HB2 H 1 3.840 0.027 . 2 . . . . 54 S HB2 . 17320 1 626 . 1 1 54 54 SER HB3 H 1 3.766 0.027 . 2 . . . . 54 S HB3 . 17320 1 627 . 1 1 54 54 SER CA C 13 61.437 0.12 . 1 . . . . 54 S CA . 17320 1 628 . 1 1 54 54 SER CB C 13 63.391 0.12 . 1 . . . . 54 S CB . 17320 1 629 . 1 1 54 54 SER N N 15 109.455 0.16 . 1 . . . . 54 S N . 17320 1 630 . 1 1 55 55 ASN H H 1 8.337 0.027 . 1 . . . . 55 N HN . 17320 1 631 . 1 1 55 55 ASN HA H 1 4.847 0.027 . 1 . . . . 55 N HA . 17320 1 632 . 1 1 55 55 ASN HB2 H 1 2.362 0.027 . 2 . . . . 55 N HB2 . 17320 1 633 . 1 1 55 55 ASN HB3 H 1 2.254 0.027 . 2 . . . . 55 N HB3 . 17320 1 634 . 1 1 55 55 ASN HD21 H 1 6.912 0.027 . 2 . . . . 55 N HD21 . 17320 1 635 . 1 1 55 55 ASN HD22 H 1 7.777 0.027 . 2 . . . . 55 N HD22 . 17320 1 636 . 1 1 55 55 ASN CA C 13 52.313 0.12 . 1 . . . . 55 N CA . 17320 1 637 . 1 1 55 55 ASN CB C 13 38.405 0.12 . 1 . . . . 55 N CB . 17320 1 638 . 1 1 55 55 ASN N N 15 119.682 0.16 . 1 . . . . 55 N N . 17320 1 639 . 1 1 55 55 ASN ND2 N 15 112.374 0.16 . 1 . . . . 55 N ND2 . 17320 1 640 . 1 1 56 56 PHE H H 1 8.618 0.027 . 1 . . . . 56 F HN . 17320 1 641 . 1 1 56 56 PHE HA H 1 3.767 0.027 . 1 . . . . 56 F HA . 17320 1 642 . 1 1 56 56 PHE HB2 H 1 3.414 0.027 . 2 . . . . 56 F HB2 . 17320 1 643 . 1 1 56 56 PHE HB3 H 1 3.880 0.027 . 2 . . . . 56 F HB3 . 17320 1 644 . 1 1 56 56 PHE HD1 H 1 7.103 0.027 . 3 . . . . 56 F QD . 17320 1 645 . 1 1 56 56 PHE HD2 H 1 7.103 0.027 . 3 . . . . 56 F QD . 17320 1 646 . 1 1 56 56 PHE HE1 H 1 7.264 0.027 . 3 . . . . 56 F QE . 17320 1 647 . 1 1 56 56 PHE HE2 H 1 7.264 0.027 . 3 . . . . 56 F QE . 17320 1 648 . 1 1 56 56 PHE HZ H 1 7.066 0.027 . 1 . . . . 56 F HZ . 17320 1 649 . 1 1 56 56 PHE CA C 13 59.969 0.12 . 1 . . . . 56 F CA . 17320 1 650 . 1 1 56 56 PHE CB C 13 34.529 0.12 . 1 . . . . 56 F CB . 17320 1 651 . 1 1 56 56 PHE CD1 C 13 129.331 0.12 . 3 . . . . 56 F CD1 . 17320 1 652 . 1 1 56 56 PHE CE1 C 13 129.140 0.12 . 3 . . . . 56 F CE1 . 17320 1 653 . 1 1 56 56 PHE CZ C 13 126.400 0.12 . 1 . . . . 56 F CZ . 17320 1 654 . 1 1 56 56 PHE N N 15 113.631 0.16 . 1 . . . . 56 F N . 17320 1 655 . 1 1 57 57 HIS H H 1 8.099 0.027 . 1 . . . . 57 H HN . 17320 1 656 . 1 1 57 57 HIS HA H 1 4.770 0.027 . 1 . . . . 57 H HA . 17320 1 657 . 1 1 57 57 HIS HB2 H 1 2.767 0.027 . 2 . . . . 57 H HB2 . 17320 1 658 . 1 1 57 57 HIS HB3 H 1 3.396 0.027 . 2 . . . . 57 H HB3 . 17320 1 659 . 1 1 57 57 HIS HD2 H 1 6.948 0.027 . 1 . . . . 57 H HD2 . 17320 1 660 . 1 1 57 57 HIS CA C 13 53.667 0.12 . 1 . . . . 57 H CA . 17320 1 661 . 1 1 57 57 HIS CB C 13 28.373 0.12 . 1 . . . . 57 H CB . 17320 1 662 . 1 1 57 57 HIS CD2 C 13 116.780 0.12 . 1 . . . . 57 H CD2 . 17320 1 663 . 1 1 57 57 HIS N N 15 115.033 0.16 . 1 . . . . 57 H N . 17320 1 664 . 1 1 58 58 CYS H H 1 7.730 0.027 . 1 . . . . 58 C HN . 17320 1 665 . 1 1 58 58 CYS HA H 1 5.747 0.027 . 1 . . . . 58 C HA . 17320 1 666 . 1 1 58 58 CYS HB2 H 1 2.659 0.027 . 2 . . . . 58 C HB2 . 17320 1 667 . 1 1 58 58 CYS HB3 H 1 2.431 0.027 . 2 . . . . 58 C HB3 . 17320 1 668 . 1 1 58 58 CYS CA C 13 55.825 0.12 . 1 . . . . 58 C CA . 17320 1 669 . 1 1 58 58 CYS CB C 13 31.195 0.12 . 1 . . . . 58 C CB . 17320 1 670 . 1 1 58 58 CYS N N 15 115.638 0.16 . 1 . . . . 58 C N . 17320 1 671 . 1 1 59 59 PHE H H 1 9.070 0.027 . 1 . . . . 59 F HN . 17320 1 672 . 1 1 59 59 PHE HA H 1 5.120 0.027 . 1 . . . . 59 F HA . 17320 1 673 . 1 1 59 59 PHE HB2 H 1 2.595 0.027 . 2 . . . . 59 F HB2 . 17320 1 674 . 1 1 59 59 PHE HB3 H 1 2.762 0.027 . 2 . . . . 59 F HB3 . 17320 1 675 . 1 1 59 59 PHE HD1 H 1 6.416 0.027 . 3 . . . . 59 F QD . 17320 1 676 . 1 1 59 59 PHE HD2 H 1 6.416 0.027 . 3 . . . . 59 F QD . 17320 1 677 . 1 1 59 59 PHE HE1 H 1 6.548 0.027 . 3 . . . . 59 F QE . 17320 1 678 . 1 1 59 59 PHE HE2 H 1 6.548 0.027 . 3 . . . . 59 F QE . 17320 1 679 . 1 1 59 59 PHE HZ H 1 6.674 0.027 . 1 . . . . 59 F HZ . 17320 1 680 . 1 1 59 59 PHE CA C 13 55.553 0.12 . 1 . . . . 59 F CA . 17320 1 681 . 1 1 59 59 PHE CB C 13 42.691 0.12 . 1 . . . . 59 F CB . 17320 1 682 . 1 1 59 59 PHE CD1 C 13 129.191 0.12 . 3 . . . . 59 F CD1 . 17320 1 683 . 1 1 59 59 PHE CD2 C 13 129.191 0.12 . 3 . . . . 59 F CD2 . 17320 1 684 . 1 1 59 59 PHE CE1 C 13 128.854 0.12 . 3 . . . . 59 F CE1 . 17320 1 685 . 1 1 59 59 PHE CE2 C 13 128.854 0.12 . 3 . . . . 59 F CE2 . 17320 1 686 . 1 1 59 59 PHE CZ C 13 126.700 0.12 . 1 . . . . 59 F CZ . 17320 1 687 . 1 1 59 59 PHE N N 15 120.820 0.16 . 1 . . . . 59 F N . 17320 1 688 . 1 1 60 60 VAL H H 1 9.617 0.027 . 1 . . . . 60 V HN . 17320 1 689 . 1 1 60 60 VAL HA H 1 5.401 0.027 . 1 . . . . 60 V HA . 17320 1 690 . 1 1 60 60 VAL HB H 1 1.994 0.027 . 1 . . . . 60 V HB . 17320 1 691 . 1 1 60 60 VAL HG11 H 1 0.880 0.027 . 2 . . . . 60 V QG1 . 17320 1 692 . 1 1 60 60 VAL HG12 H 1 0.880 0.027 . 2 . . . . 60 V QG1 . 17320 1 693 . 1 1 60 60 VAL HG13 H 1 0.880 0.027 . 2 . . . . 60 V QG1 . 17320 1 694 . 1 1 60 60 VAL HG21 H 1 0.893 0.027 . 2 . . . . 60 V QG2 . 17320 1 695 . 1 1 60 60 VAL HG22 H 1 0.893 0.027 . 2 . . . . 60 V QG2 . 17320 1 696 . 1 1 60 60 VAL HG23 H 1 0.893 0.027 . 2 . . . . 60 V QG2 . 17320 1 697 . 1 1 60 60 VAL CA C 13 59.576 0.12 . 1 . . . . 60 V CA . 17320 1 698 . 1 1 60 60 VAL CB C 13 35.838 0.12 . 1 . . . . 60 V CB . 17320 1 699 . 1 1 60 60 VAL CG1 C 13 20.765 0.12 . 2 . . . . 60 V CG1 . 17320 1 700 . 1 1 60 60 VAL CG2 C 13 21.709 0.12 . 2 . . . . 60 V CG2 . 17320 1 701 . 1 1 60 60 VAL N N 15 121.853 0.16 . 1 . . . . 60 V N . 17320 1 702 . 1 1 61 61 LEU H H 1 8.017 0.027 . 1 . . . . 61 L HN . 17320 1 703 . 1 1 61 61 LEU HA H 1 3.810 0.027 . 1 . . . . 61 L HA . 17320 1 704 . 1 1 61 61 LEU HB2 H 1 1.416 0.027 . 2 . . . . 61 L HB2 . 17320 1 705 . 1 1 61 61 LEU HB3 H 1 -0.825 0.027 . 2 . . . . 61 L HB3 . 17320 1 706 . 1 1 61 61 LEU HG H 1 1.020 0.027 . 1 . . . . 61 L HG . 17320 1 707 . 1 1 61 61 LEU HD11 H 1 0.447 0.027 . 2 . . . . 61 L QD1 . 17320 1 708 . 1 1 61 61 LEU HD12 H 1 0.447 0.027 . 2 . . . . 61 L QD1 . 17320 1 709 . 1 1 61 61 LEU HD13 H 1 0.447 0.027 . 2 . . . . 61 L QD1 . 17320 1 710 . 1 1 61 61 LEU HD21 H 1 -0.173 0.027 . 2 . . . . 61 L QD2 . 17320 1 711 . 1 1 61 61 LEU HD22 H 1 -0.173 0.027 . 2 . . . . 61 L QD2 . 17320 1 712 . 1 1 61 61 LEU HD23 H 1 -0.173 0.027 . 2 . . . . 61 L QD2 . 17320 1 713 . 1 1 61 61 LEU CA C 13 54.018 0.12 . 1 . . . . 61 L CA . 17320 1 714 . 1 1 61 61 LEU CB C 13 40.085 0.12 . 1 . . . . 61 L CB . 17320 1 715 . 1 1 61 61 LEU CG C 13 26.484 0.12 . 1 . . . . 61 L CG . 17320 1 716 . 1 1 61 61 LEU CD1 C 13 25.960 0.12 . 2 . . . . 61 L CD1 . 17320 1 717 . 1 1 61 61 LEU CD2 C 13 21.378 0.12 . 2 . . . . 61 L CD2 . 17320 1 718 . 1 1 61 61 LEU N N 15 130.825 0.16 . 1 . . . . 61 L N . 17320 1 719 . 1 1 62 62 GLU H H 1 7.873 0.027 . 1 . . . . 62 E HN . 17320 1 720 . 1 1 62 62 GLU HA H 1 4.786 0.027 . 1 . . . . 62 E HA . 17320 1 721 . 1 1 62 62 GLU HB2 H 1 1.863 0.027 . 2 . . . . 62 E HB2 . 17320 1 722 . 1 1 62 62 GLU HB3 H 1 2.205 0.027 . 2 . . . . 62 E HB3 . 17320 1 723 . 1 1 62 62 GLU HG2 H 1 2.115 0.027 . 2 . . . . 62 E HG2 . 17320 1 724 . 1 1 62 62 GLU HG3 H 1 2.158 0.027 . 2 . . . . 62 E HG3 . 17320 1 725 . 1 1 62 62 GLU CA C 13 55.221 0.12 . 1 . . . . 62 E CA . 17320 1 726 . 1 1 62 62 GLU CB C 13 31.201 0.12 . 1 . . . . 62 E CB . 17320 1 727 . 1 1 62 62 GLU CG C 13 36.349 0.12 . 1 . . . . 62 E CG . 17320 1 728 . 1 1 62 62 GLU N N 15 125.911 0.16 . 1 . . . . 62 E N . 17320 1 729 . 1 1 63 63 GLU H H 1 8.910 0.027 . 1 . . . . 63 E HN . 17320 1 730 . 1 1 63 63 GLU HA H 1 3.264 0.027 . 1 . . . . 63 E HA . 17320 1 731 . 1 1 63 63 GLU HB2 H 1 1.786 0.027 . 2 . . . . 63 E QB . 17320 1 732 . 1 1 63 63 GLU HB3 H 1 1.786 0.027 . 2 . . . . 63 E QB . 17320 1 733 . 1 1 63 63 GLU HG2 H 1 1.939 0.027 . 2 . . . . 63 E QG . 17320 1 734 . 1 1 63 63 GLU HG3 H 1 1.939 0.027 . 2 . . . . 63 E QG . 17320 1 735 . 1 1 63 63 GLU CA C 13 58.426 0.12 . 1 . . . . 63 E CA . 17320 1 736 . 1 1 63 63 GLU CB C 13 28.640 0.12 . 1 . . . . 63 E CB . 17320 1 737 . 1 1 63 63 GLU CG C 13 36.197 0.12 . 1 . . . . 63 E CG . 17320 1 738 . 1 1 63 63 GLU N N 15 117.674 0.16 . 1 . . . . 63 E N . 17320 1 739 . 1 1 64 64 ASP H H 1 7.794 0.027 . 1 . . . . 64 D HN . 17320 1 740 . 1 1 64 64 ASP HA H 1 4.425 0.027 . 1 . . . . 64 D HA . 17320 1 741 . 1 1 64 64 ASP HB2 H 1 3.058 0.027 . 2 . . . . 64 D HB2 . 17320 1 742 . 1 1 64 64 ASP HB3 H 1 2.653 0.027 . 2 . . . . 64 D HB3 . 17320 1 743 . 1 1 64 64 ASP CA C 13 53.073 0.12 . 1 . . . . 64 D CA . 17320 1 744 . 1 1 64 64 ASP CB C 13 39.028 0.12 . 1 . . . . 64 D CB . 17320 1 745 . 1 1 64 64 ASP N N 15 116.721 0.16 . 1 . . . . 64 D N . 17320 1 746 . 1 1 65 65 ALA H H 1 8.754 0.027 . 1 . . . . 65 A HN . 17320 1 747 . 1 1 65 65 ALA HA H 1 3.791 0.027 . 1 . . . . 65 A HA . 17320 1 748 . 1 1 65 65 ALA HB1 H 1 1.532 0.027 . 1 . . . . 65 A QB . 17320 1 749 . 1 1 65 65 ALA HB2 H 1 1.532 0.027 . 1 . . . . 65 A QB . 17320 1 750 . 1 1 65 65 ALA HB3 H 1 1.532 0.027 . 1 . . . . 65 A QB . 17320 1 751 . 1 1 65 65 ALA CA C 13 53.352 0.12 . 1 . . . . 65 A CA . 17320 1 752 . 1 1 65 65 ALA CB C 13 16.478 0.12 . 1 . . . . 65 A CB . 17320 1 753 . 1 1 65 65 ALA N N 15 117.282 0.16 . 1 . . . . 65 A N . 17320 1 754 . 1 1 66 66 HIS H H 1 8.018 0.027 . 1 . . . . 66 H HN . 17320 1 755 . 1 1 66 66 HIS HA H 1 4.933 0.027 . 1 . . . . 66 H HA . 17320 1 756 . 1 1 66 66 HIS HB2 H 1 3.028 0.027 . 2 . . . . 66 H HB2 . 17320 1 757 . 1 1 66 66 HIS HB3 H 1 3.065 0.027 . 2 . . . . 66 H HB3 . 17320 1 758 . 1 1 66 66 HIS HD2 H 1 7.443 0.027 . 1 . . . . 66 H HD2 . 17320 1 759 . 1 1 66 66 HIS CA C 13 53.487 0.12 . 1 . . . . 66 H CA . 17320 1 760 . 1 1 66 66 HIS CB C 13 31.418 0.12 . 1 . . . . 66 H CB . 17320 1 761 . 1 1 66 66 HIS CD2 C 13 118.440 0.12 . 1 . . . . 66 H CD2 . 17320 1 762 . 1 1 66 66 HIS N N 15 114.557 0.16 . 1 . . . . 66 H N . 17320 1 763 . 1 1 67 67 TRP H H 1 8.830 0.027 . 1 . . . . 67 W HN . 17320 1 764 . 1 1 67 67 TRP HA H 1 4.965 0.027 . 1 . . . . 67 W HA . 17320 1 765 . 1 1 67 67 TRP HB2 H 1 2.785 0.027 . 2 . . . . 67 W HB2 . 17320 1 766 . 1 1 67 67 TRP HB3 H 1 3.217 0.027 . 2 . . . . 67 W HB3 . 17320 1 767 . 1 1 67 67 TRP HD1 H 1 7.489 0.027 . 1 . . . . 67 W HD1 . 17320 1 768 . 1 1 67 67 TRP HE1 H 1 10.610 0.027 . 1 . . . . 67 W HE1 . 17320 1 769 . 1 1 67 67 TRP HZ2 H 1 7.679 0.027 . 1 . . . . 67 W HZ2 . 17320 1 770 . 1 1 67 67 TRP HZ3 H 1 7.057 0.027 . 1 . . . . 67 W HZ3 . 17320 1 771 . 1 1 67 67 TRP HH2 H 1 6.863 0.027 . 1 . . . . 67 W HH2 . 17320 1 772 . 1 1 67 67 TRP CA C 13 56.101 0.12 . 1 . . . . 67 W CA . 17320 1 773 . 1 1 67 67 TRP CB C 13 29.101 0.12 . 1 . . . . 67 W CB . 17320 1 774 . 1 1 67 67 TRP CD1 C 13 125.839 0.12 . 1 . . . . 67 W CD1 . 17320 1 775 . 1 1 67 67 TRP CZ2 C 13 112.580 0.12 . 1 . . . . 67 W CZ2 . 17320 1 776 . 1 1 67 67 TRP CZ3 C 13 121.044 0.12 . 1 . . . . 67 W CZ3 . 17320 1 777 . 1 1 67 67 TRP CH2 C 13 120.945 0.12 . 1 . . . . 67 W CH2 . 17320 1 778 . 1 1 67 67 TRP N N 15 122.189 0.16 . 1 . . . . 67 W N . 17320 1 779 . 1 1 67 67 TRP NE1 N 15 128.809 0.16 . 1 . . . . 67 W NE1 . 17320 1 780 . 1 1 68 68 HIS H H 1 9.716 0.027 . 1 . . . . 68 H HN . 17320 1 781 . 1 1 68 68 HIS HA H 1 5.331 0.027 . 1 . . . . 68 H HA . 17320 1 782 . 1 1 68 68 HIS HB2 H 1 3.236 0.027 . 2 . . . . 68 H HB2 . 17320 1 783 . 1 1 68 68 HIS HB3 H 1 3.091 0.027 . 2 . . . . 68 H HB3 . 17320 1 784 . 1 1 68 68 HIS CA C 13 52.769 0.12 . 1 . . . . 68 H CA . 17320 1 785 . 1 1 68 68 HIS CB C 13 30.863 0.12 . 1 . . . . 68 H CB . 17320 1 786 . 1 1 68 68 HIS N N 15 121.150 0.16 . 1 . . . . 68 H N . 17320 1 787 . 1 1 69 69 PRO HA H 1 4.136 0.027 . 1 . . . . 69 P HA . 17320 1 788 . 1 1 69 69 PRO HB2 H 1 1.749 0.027 . 2 . . . . 69 P HB2 . 17320 1 789 . 1 1 69 69 PRO HB3 H 1 2.119 0.027 . 2 . . . . 69 P HB3 . 17320 1 790 . 1 1 69 69 PRO HG2 H 1 1.475 0.027 . 2 . . . . 69 P HG2 . 17320 1 791 . 1 1 69 69 PRO HG3 H 1 2.171 0.027 . 2 . . . . 69 P HG3 . 17320 1 792 . 1 1 69 69 PRO HD2 H 1 3.912 0.027 . 2 . . . . 69 P HD2 . 17320 1 793 . 1 1 69 69 PRO HD3 H 1 3.888 0.027 . 2 . . . . 69 P HD3 . 17320 1 794 . 1 1 69 69 PRO CA C 13 63.308 0.12 . 1 . . . . 69 P CA . 17320 1 795 . 1 1 69 69 PRO CB C 13 32.150 0.12 . 1 . . . . 69 P CB . 17320 1 796 . 1 1 69 69 PRO CG C 13 27.838 0.12 . 1 . . . . 69 P CG . 17320 1 797 . 1 1 69 69 PRO CD C 13 51.049 0.12 . 1 . . . . 69 P CD . 17320 1 798 . 1 1 70 70 ALA H H 1 7.996 0.027 . 1 . . . . 70 A HN . 17320 1 799 . 1 1 70 70 ALA HA H 1 4.647 0.027 . 1 . . . . 70 A HA . 17320 1 800 . 1 1 70 70 ALA HB1 H 1 1.229 0.027 . 1 . . . . 70 A QB . 17320 1 801 . 1 1 70 70 ALA HB2 H 1 1.229 0.027 . 1 . . . . 70 A QB . 17320 1 802 . 1 1 70 70 ALA HB3 H 1 1.229 0.027 . 1 . . . . 70 A QB . 17320 1 803 . 1 1 70 70 ALA CA C 13 49.202 0.12 . 1 . . . . 70 A CA . 17320 1 804 . 1 1 70 70 ALA CB C 13 22.054 0.12 . 1 . . . . 70 A CB . 17320 1 805 . 1 1 70 70 ALA N N 15 127.160 0.16 . 1 . . . . 70 A N . 17320 1 806 . 1 1 71 71 ALA H H 1 8.169 0.027 . 1 . . . . 71 A HN . 17320 1 807 . 1 1 71 71 ALA HA H 1 4.368 0.027 . 1 . . . . 71 A HA . 17320 1 808 . 1 1 71 71 ALA HB1 H 1 1.336 0.027 . 1 . . . . 71 A QB . 17320 1 809 . 1 1 71 71 ALA HB2 H 1 1.336 0.027 . 1 . . . . 71 A QB . 17320 1 810 . 1 1 71 71 ALA HB3 H 1 1.336 0.027 . 1 . . . . 71 A QB . 17320 1 811 . 1 1 71 71 ALA CA C 13 50.977 0.12 . 1 . . . . 71 A CA . 17320 1 812 . 1 1 71 71 ALA CB C 13 16.927 0.12 . 1 . . . . 71 A CB . 17320 1 813 . 1 1 71 71 ALA N N 15 123.790 0.16 . 1 . . . . 71 A N . 17320 1 814 . 1 1 72 72 PRO HA H 1 4.651 0.027 . 1 . . . . 72 P HA . 17320 1 815 . 1 1 72 72 PRO HB2 H 1 1.993 0.027 . 2 . . . . 72 P HB2 . 17320 1 816 . 1 1 72 72 PRO HB3 H 1 2.350 0.027 . 2 . . . . 72 P HB3 . 17320 1 817 . 1 1 72 72 PRO HG2 H 1 1.942 0.027 . 2 . . . . 72 P HG2 . 17320 1 818 . 1 1 72 72 PRO HG3 H 1 2.007 0.027 . 2 . . . . 72 P HG3 . 17320 1 819 . 1 1 72 72 PRO HD2 H 1 3.630 0.027 . 2 . . . . 72 P HD2 . 17320 1 820 . 1 1 72 72 PRO HD3 H 1 3.681 0.027 . 2 . . . . 72 P HD3 . 17320 1 821 . 1 1 72 72 PRO CA C 13 60.897 0.12 . 1 . . . . 72 P CA . 17320 1 822 . 1 1 72 72 PRO CB C 13 32.441 0.12 . 1 . . . . 72 P CB . 17320 1 823 . 1 1 72 72 PRO CG C 13 27.632 0.12 . 1 . . . . 72 P CG . 17320 1 824 . 1 1 72 72 PRO CD C 13 49.679 0.12 . 1 . . . . 72 P CD . 17320 1 825 . 1 1 73 73 LEU H H 1 8.522 0.027 . 1 . . . . 73 L HN . 17320 1 826 . 1 1 73 73 LEU HA H 1 4.604 0.027 . 1 . . . . 73 L HA . 17320 1 827 . 1 1 73 73 LEU HB2 H 1 1.783 0.027 . 2 . . . . 73 L HB2 . 17320 1 828 . 1 1 73 73 LEU HB3 H 1 1.207 0.027 . 2 . . . . 73 L HB3 . 17320 1 829 . 1 1 73 73 LEU HG H 1 1.757 0.027 . 1 . . . . 73 L HG . 17320 1 830 . 1 1 73 73 LEU HD11 H 1 0.669 0.027 . 2 . . . . 73 L QD1 . 17320 1 831 . 1 1 73 73 LEU HD12 H 1 0.669 0.027 . 2 . . . . 73 L QD1 . 17320 1 832 . 1 1 73 73 LEU HD13 H 1 0.669 0.027 . 2 . . . . 73 L QD1 . 17320 1 833 . 1 1 73 73 LEU HD21 H 1 0.840 0.027 . 2 . . . . 73 L QD2 . 17320 1 834 . 1 1 73 73 LEU HD22 H 1 0.840 0.027 . 2 . . . . 73 L QD2 . 17320 1 835 . 1 1 73 73 LEU HD23 H 1 0.840 0.027 . 2 . . . . 73 L QD2 . 17320 1 836 . 1 1 73 73 LEU CA C 13 51.881 0.12 . 1 . . . . 73 L CA . 17320 1 837 . 1 1 73 73 LEU CB C 13 44.114 0.12 . 1 . . . . 73 L CB . 17320 1 838 . 1 1 73 73 LEU CG C 13 25.924 0.12 . 1 . . . . 73 L CG . 17320 1 839 . 1 1 73 73 LEU CD1 C 13 26.189 0.12 . 2 . . . . 73 L CD1 . 17320 1 840 . 1 1 73 73 LEU CD2 C 13 24.695 0.12 . 2 . . . . 73 L CD2 . 17320 1 841 . 1 1 73 73 LEU N N 15 123.695 0.16 . 1 . . . . 73 L N . 17320 1 842 . 1 1 74 74 PRO HA H 1 4.684 0.027 . 1 . . . . 74 P HA . 17320 1 843 . 1 1 74 74 PRO HB2 H 1 2.352 0.027 . 2 . . . . 74 P HB2 . 17320 1 844 . 1 1 74 74 PRO HB3 H 1 1.924 0.027 . 2 . . . . 74 P HB3 . 17320 1 845 . 1 1 74 74 PRO HG2 H 1 2.006 0.027 . 2 . . . . 74 P HG2 . 17320 1 846 . 1 1 74 74 PRO HG3 H 1 1.941 0.027 . 2 . . . . 74 P HG3 . 17320 1 847 . 1 1 74 74 PRO HD2 H 1 3.989 0.027 . 2 . . . . 74 P HD2 . 17320 1 848 . 1 1 74 74 PRO HD3 H 1 3.615 0.027 . 2 . . . . 74 P HD3 . 17320 1 849 . 1 1 74 74 PRO CA C 13 62.319 0.12 . 1 . . . . 74 P CA . 17320 1 850 . 1 1 74 74 PRO CB C 13 30.757 0.12 . 1 . . . . 74 P CB . 17320 1 851 . 1 1 74 74 PRO CG C 13 27.557 0.12 . 1 . . . . 74 P CG . 17320 1 852 . 1 1 74 74 PRO CD C 13 50.423 0.12 . 1 . . . . 74 P CD . 17320 1 853 . 1 1 75 75 PRO HA H 1 3.792 0.027 . 1 . . . . 75 P HA . 17320 1 854 . 1 1 75 75 PRO HB2 H 1 1.783 0.027 . 2 . . . . 75 P HB2 . 17320 1 855 . 1 1 75 75 PRO HB3 H 1 2.040 0.027 . 2 . . . . 75 P HB3 . 17320 1 856 . 1 1 75 75 PRO HG2 H 1 1.930 0.027 . 2 . . . . 75 P HG2 . 17320 1 857 . 1 1 75 75 PRO HG3 H 1 2.036 0.027 . 2 . . . . 75 P HG3 . 17320 1 858 . 1 1 75 75 PRO HD2 H 1 3.657 0.027 . 2 . . . . 75 P QD . 17320 1 859 . 1 1 75 75 PRO HD3 H 1 3.657 0.027 . 2 . . . . 75 P QD . 17320 1 860 . 1 1 75 75 PRO CA C 13 65.344 0.12 . 1 . . . . 75 P CA . 17320 1 861 . 1 1 75 75 PRO CB C 13 31.585 0.12 . 1 . . . . 75 P CB . 17320 1 862 . 1 1 75 75 PRO CG C 13 27.017 0.12 . 1 . . . . 75 P CG . 17320 1 863 . 1 1 75 75 PRO CD C 13 49.800 0.12 . 1 . . . . 75 P CD . 17320 1 864 . 1 1 76 76 GLU H H 1 9.118 0.027 . 1 . . . . 76 E HN . 17320 1 865 . 1 1 76 76 GLU HA H 1 4.208 0.027 . 1 . . . . 76 E HA . 17320 1 866 . 1 1 76 76 GLU HB2 H 1 2.109 0.027 . 2 . . . . 76 E HB2 . 17320 1 867 . 1 1 76 76 GLU HB3 H 1 1.992 0.027 . 2 . . . . 76 E HB3 . 17320 1 868 . 1 1 76 76 GLU HG2 H 1 2.330 0.027 . 2 . . . . 76 E HG2 . 17320 1 869 . 1 1 76 76 GLU HG3 H 1 2.278 0.027 . 2 . . . . 76 E HG3 . 17320 1 870 . 1 1 76 76 GLU CA C 13 58.014 0.12 . 1 . . . . 76 E CA . 17320 1 871 . 1 1 76 76 GLU CB C 13 28.258 0.12 . 1 . . . . 76 E CB . 17320 1 872 . 1 1 76 76 GLU CG C 13 35.914 0.12 . 1 . . . . 76 E CG . 17320 1 873 . 1 1 76 76 GLU N N 15 115.914 0.16 . 1 . . . . 76 E N . 17320 1 874 . 1 1 77 77 GLY H H 1 8.412 0.027 . 1 . . . . 77 G HN . 17320 1 875 . 1 1 77 77 GLY HA2 H 1 3.606 0.027 . 2 . . . . 77 G HA1 . 17320 1 876 . 1 1 77 77 GLY HA3 H 1 4.062 0.027 . 2 . . . . 77 G HA2 . 17320 1 877 . 1 1 77 77 GLY CA C 13 46.525 0.12 . 1 . . . . 77 G CA . 17320 1 878 . 1 1 77 77 GLY N N 15 106.935 0.16 . 1 . . . . 77 G N . 17320 1 879 . 1 1 78 78 LEU H H 1 7.900 0.027 . 1 . . . . 78 L HN . 17320 1 880 . 1 1 78 78 LEU HA H 1 3.976 0.027 . 1 . . . . 78 L HA . 17320 1 881 . 1 1 78 78 LEU HB2 H 1 1.804 0.027 . 2 . . . . 78 L HB2 . 17320 1 882 . 1 1 78 78 LEU HB3 H 1 1.424 0.027 . 2 . . . . 78 L HB3 . 17320 1 883 . 1 1 78 78 LEU HG H 1 1.422 0.027 . 1 . . . . 78 L HG . 17320 1 884 . 1 1 78 78 LEU HD11 H 1 0.663 0.027 . 1 . . . . 78 L QD1 . 17320 1 885 . 1 1 78 78 LEU HD12 H 1 0.663 0.027 . 1 . . . . 78 L QD1 . 17320 1 886 . 1 1 78 78 LEU HD13 H 1 0.663 0.027 . 1 . . . . 78 L QD1 . 17320 1 887 . 1 1 78 78 LEU HD21 H 1 0.654 0.027 . 1 . . . . 78 L QD2 . 17320 1 888 . 1 1 78 78 LEU HD22 H 1 0.654 0.027 . 1 . . . . 78 L QD2 . 17320 1 889 . 1 1 78 78 LEU HD23 H 1 0.654 0.027 . 1 . . . . 78 L QD2 . 17320 1 890 . 1 1 78 78 LEU CA C 13 57.543 0.12 . 1 . . . . 78 L CA . 17320 1 891 . 1 1 78 78 LEU CB C 13 41.352 0.12 . 1 . . . . 78 L CB . 17320 1 892 . 1 1 78 78 LEU CG C 13 26.549 0.12 . 1 . . . . 78 L CG . 17320 1 893 . 1 1 78 78 LEU CD1 C 13 23.506 0.12 . 2 . . . . 78 L CD1 . 17320 1 894 . 1 1 78 78 LEU CD2 C 13 25.081 0.12 . 2 . . . . 78 L CD2 . 17320 1 895 . 1 1 78 78 LEU N N 15 121.550 0.16 . 1 . . . . 78 L N . 17320 1 896 . 1 1 79 79 ASN H H 1 7.671 0.027 . 1 . . . . 79 N HN . 17320 1 897 . 1 1 79 79 ASN HA H 1 4.125 0.027 . 1 . . . . 79 N HA . 17320 1 898 . 1 1 79 79 ASN HB2 H 1 2.587 0.027 . 2 . . . . 79 N HB2 . 17320 1 899 . 1 1 79 79 ASN HB3 H 1 2.835 0.027 . 2 . . . . 79 N HB3 . 17320 1 900 . 1 1 79 79 ASN HD21 H 1 6.828 0.027 . 2 . . . . 79 N HD21 . 17320 1 901 . 1 1 79 79 ASN HD22 H 1 7.407 0.027 . 2 . . . . 79 N HD22 . 17320 1 902 . 1 1 79 79 ASN CA C 13 56.521 0.12 . 1 . . . . 79 N CA . 17320 1 903 . 1 1 79 79 ASN CB C 13 38.000 0.12 . 1 . . . . 79 N CB . 17320 1 904 . 1 1 79 79 ASN N N 15 115.877 0.16 . 1 . . . . 79 N N . 17320 1 905 . 1 1 79 79 ASN ND2 N 15 111.124 0.16 . 1 . . . . 79 N ND2 . 17320 1 906 . 1 1 80 80 ASP H H 1 7.804 0.027 . 1 . . . . 80 D HN . 17320 1 907 . 1 1 80 80 ASP HA H 1 4.380 0.027 . 1 . . . . 80 D HA . 17320 1 908 . 1 1 80 80 ASP HB2 H 1 2.678 0.027 . 2 . . . . 80 D HB2 . 17320 1 909 . 1 1 80 80 ASP HB3 H 1 2.741 0.027 . 2 . . . . 80 D HB3 . 17320 1 910 . 1 1 80 80 ASP CA C 13 57.683 0.12 . 1 . . . . 80 D CA . 17320 1 911 . 1 1 80 80 ASP CB C 13 40.122 0.12 . 1 . . . . 80 D CB . 17320 1 912 . 1 1 80 80 ASP N N 15 118.011 0.16 . 1 . . . . 80 D N . 17320 1 913 . 1 1 81 81 LEU H H 1 7.778 0.027 . 1 . . . . 81 L HN . 17320 1 914 . 1 1 81 81 LEU HA H 1 4.132 0.027 . 1 . . . . 81 L HA . 17320 1 915 . 1 1 81 81 LEU HB2 H 1 1.569 0.027 . 2 . . . . 81 L HB2 . 17320 1 916 . 1 1 81 81 LEU HB3 H 1 2.011 0.027 . 2 . . . . 81 L HB3 . 17320 1 917 . 1 1 81 81 LEU HG H 1 1.933 0.027 . 1 . . . . 81 L HG . 17320 1 918 . 1 1 81 81 LEU HD11 H 1 0.853 0.027 . 1 . . . . 81 L QD1 . 17320 1 919 . 1 1 81 81 LEU HD12 H 1 0.853 0.027 . 1 . . . . 81 L QD1 . 17320 1 920 . 1 1 81 81 LEU HD13 H 1 0.853 0.027 . 1 . . . . 81 L QD1 . 17320 1 921 . 1 1 81 81 LEU HD21 H 1 0.800 0.027 . 1 . . . . 81 L QD2 . 17320 1 922 . 1 1 81 81 LEU HD22 H 1 0.800 0.027 . 1 . . . . 81 L QD2 . 17320 1 923 . 1 1 81 81 LEU HD23 H 1 0.800 0.027 . 1 . . . . 81 L QD2 . 17320 1 924 . 1 1 81 81 LEU CA C 13 57.489 0.12 . 1 . . . . 81 L CA . 17320 1 925 . 1 1 81 81 LEU CB C 13 41.970 0.12 . 1 . . . . 81 L CB . 17320 1 926 . 1 1 81 81 LEU CG C 13 26.315 0.12 . 1 . . . . 81 L CG . 17320 1 927 . 1 1 81 81 LEU CD1 C 13 22.898 0.12 . 2 . . . . 81 L CD1 . 17320 1 928 . 1 1 81 81 LEU CD2 C 13 25.302 0.12 . 2 . . . . 81 L CD2 . 17320 1 929 . 1 1 81 81 LEU N N 15 119.342 0.16 . 1 . . . . 81 L N . 17320 1 930 . 1 1 82 82 ILE H H 1 8.150 0.027 . 1 . . . . 82 I HN . 17320 1 931 . 1 1 82 82 ILE HA H 1 3.831 0.027 . 1 . . . . 82 I HA . 17320 1 932 . 1 1 82 82 ILE HB H 1 2.072 0.027 . 1 . . . . 82 I HB . 17320 1 933 . 1 1 82 82 ILE HG12 H 1 1.480 0.027 . 2 . . . . 82 I HG12 . 17320 1 934 . 1 1 82 82 ILE HG13 H 1 1.190 0.027 . 2 . . . . 82 I HG13 . 17320 1 935 . 1 1 82 82 ILE HG21 H 1 0.736 0.027 . 1 . . . . 82 I QG2 . 17320 1 936 . 1 1 82 82 ILE HG22 H 1 0.736 0.027 . 1 . . . . 82 I QG2 . 17320 1 937 . 1 1 82 82 ILE HG23 H 1 0.736 0.027 . 1 . . . . 82 I QG2 . 17320 1 938 . 1 1 82 82 ILE HD11 H 1 0.588 0.027 . 1 . . . . 82 I QD1 . 17320 1 939 . 1 1 82 82 ILE HD12 H 1 0.588 0.027 . 1 . . . . 82 I QD1 . 17320 1 940 . 1 1 82 82 ILE HD13 H 1 0.588 0.027 . 1 . . . . 82 I QD1 . 17320 1 941 . 1 1 82 82 ILE CA C 13 62.226 0.12 . 1 . . . . 82 I CA . 17320 1 942 . 1 1 82 82 ILE CB C 13 35.438 0.12 . 1 . . . . 82 I CB . 17320 1 943 . 1 1 82 82 ILE CG1 C 13 27.353 0.12 . 1 . . . . 82 I CG1 . 17320 1 944 . 1 1 82 82 ILE CG2 C 13 18.759 0.12 . 1 . . . . 82 I CG2 . 17320 1 945 . 1 1 82 82 ILE CD1 C 13 10.527 0.12 . 1 . . . . 82 I CD1 . 17320 1 946 . 1 1 82 82 ILE N N 15 120.090 0.16 . 1 . . . . 82 I N . 17320 1 947 . 1 1 83 83 ARG H H 1 8.737 0.027 . 1 . . . . 83 R HN . 17320 1 948 . 1 1 83 83 ARG HA H 1 4.075 0.027 . 1 . . . . 83 R HA . 17320 1 949 . 1 1 83 83 ARG HB2 H 1 1.985 0.027 . 2 . . . . 83 R HB2 . 17320 1 950 . 1 1 83 83 ARG HB3 H 1 1.925 0.027 . 2 . . . . 83 R HB3 . 17320 1 951 . 1 1 83 83 ARG HG2 H 1 1.842 0.027 . 2 . . . . 83 R HG2 . 17320 1 952 . 1 1 83 83 ARG HG3 H 1 1.641 0.027 . 2 . . . . 83 R HG3 . 17320 1 953 . 1 1 83 83 ARG HD2 H 1 3.186 0.027 . 2 . . . . 83 R HD2 . 17320 1 954 . 1 1 83 83 ARG HD3 H 1 3.267 0.027 . 2 . . . . 83 R HD3 . 17320 1 955 . 1 1 83 83 ARG HE H 1 7.330 0.027 . 1 . . . . 83 R HE . 17320 1 956 . 1 1 83 83 ARG CA C 13 60.581 0.12 . 1 . . . . 83 R CA . 17320 1 957 . 1 1 83 83 ARG CB C 13 30.124 0.12 . 1 . . . . 83 R CB . 17320 1 958 . 1 1 83 83 ARG CG C 13 28.580 0.12 . 1 . . . . 83 R CG . 17320 1 959 . 1 1 83 83 ARG CD C 13 43.093 0.12 . 1 . . . . 83 R CD . 17320 1 960 . 1 1 83 83 ARG N N 15 121.427 0.16 . 1 . . . . 83 R N . 17320 1 961 . 1 1 83 83 ARG NE N 15 83.427 0.16 . 1 . . . . 83 R NE . 17320 1 962 . 1 1 84 84 ALA H H 1 7.845 0.027 . 1 . . . . 84 A HN . 17320 1 963 . 1 1 84 84 ALA HA H 1 4.282 0.027 . 1 . . . . 84 A HA . 17320 1 964 . 1 1 84 84 ALA HB1 H 1 1.559 0.027 . 1 . . . . 84 A QB . 17320 1 965 . 1 1 84 84 ALA HB2 H 1 1.559 0.027 . 1 . . . . 84 A QB . 17320 1 966 . 1 1 84 84 ALA HB3 H 1 1.559 0.027 . 1 . . . . 84 A QB . 17320 1 967 . 1 1 84 84 ALA CA C 13 55.041 0.12 . 1 . . . . 84 A CA . 17320 1 968 . 1 1 84 84 ALA CB C 13 17.880 0.12 . 1 . . . . 84 A CB . 17320 1 969 . 1 1 84 84 ALA N N 15 120.342 0.16 . 1 . . . . 84 A N . 17320 1 970 . 1 1 85 85 HIS H H 1 7.926 0.027 . 1 . . . . 85 H HN . 17320 1 971 . 1 1 85 85 HIS HA H 1 4.192 0.027 . 1 . . . . 85 H HA . 17320 1 972 . 1 1 85 85 HIS HB2 H 1 3.664 0.027 . 2 . . . . 85 H HB2 . 17320 1 973 . 1 1 85 85 HIS HB3 H 1 3.368 0.027 . 2 . . . . 85 H HB3 . 17320 1 974 . 1 1 85 85 HIS HD2 H 1 6.805 0.027 . 1 . . . . 85 H HD2 . 17320 1 975 . 1 1 85 85 HIS HE1 H 1 7.980 0.027 . 1 . . . . 85 H HE1 . 17320 1 976 . 1 1 85 85 HIS CA C 13 60.241 0.12 . 1 . . . . 85 H CA . 17320 1 977 . 1 1 85 85 HIS CB C 13 31.781 0.12 . 1 . . . . 85 H CB . 17320 1 978 . 1 1 85 85 HIS CD2 C 13 114.837 0.12 . 1 . . . . 85 H CD2 . 17320 1 979 . 1 1 85 85 HIS CE1 C 13 136.795 0.12 . 1 . . . . 85 H CE1 . 17320 1 980 . 1 1 85 85 HIS N N 15 120.906 0.16 . 1 . . . . 85 H N . 17320 1 981 . 1 1 86 86 CYS H H 1 8.718 0.027 . 1 . . . . 86 C HN . 17320 1 982 . 1 1 86 86 CYS HA H 1 4.031 0.027 . 1 . . . . 86 C HA . 17320 1 983 . 1 1 86 86 CYS HB2 H 1 3.242 0.027 . 2 . . . . 86 C HB2 . 17320 1 984 . 1 1 86 86 CYS HB3 H 1 3.197 0.027 . 2 . . . . 86 C HB3 . 17320 1 985 . 1 1 86 86 CYS CA C 13 64.751 0.12 . 1 . . . . 86 C CA . 17320 1 986 . 1 1 86 86 CYS CB C 13 26.680 0.12 . 1 . . . . 86 C CB . 17320 1 987 . 1 1 86 86 CYS N N 15 115.455 0.16 . 1 . . . . 86 C N . 17320 1 988 . 1 1 87 87 ALA H H 1 8.298 0.027 . 1 . . . . 87 A HN . 17320 1 989 . 1 1 87 87 ALA HA H 1 4.232 0.027 . 1 . . . . 87 A HA . 17320 1 990 . 1 1 87 87 ALA HB1 H 1 1.559 0.027 . 1 . . . . 87 A QB . 17320 1 991 . 1 1 87 87 ALA HB2 H 1 1.559 0.027 . 1 . . . . 87 A QB . 17320 1 992 . 1 1 87 87 ALA HB3 H 1 1.559 0.027 . 1 . . . . 87 A QB . 17320 1 993 . 1 1 87 87 ALA CA C 13 54.785 0.12 . 1 . . . . 87 A CA . 17320 1 994 . 1 1 87 87 ALA CB C 13 17.834 0.12 . 1 . . . . 87 A CB . 17320 1 995 . 1 1 87 87 ALA N N 15 120.570 0.16 . 1 . . . . 87 A N . 17320 1 996 . 1 1 88 88 THR H H 1 7.769 0.027 . 1 . . . . 88 T HN . 17320 1 997 . 1 1 88 88 THR HA H 1 4.088 0.027 . 1 . . . . 88 T HA . 17320 1 998 . 1 1 88 88 THR HB H 1 4.240 0.027 . 1 . . . . 88 T HB . 17320 1 999 . 1 1 88 88 THR HG21 H 1 1.309 0.027 . 1 . . . . 88 T QG2 . 17320 1 1000 . 1 1 88 88 THR HG22 H 1 1.309 0.027 . 1 . . . . 88 T QG2 . 17320 1 1001 . 1 1 88 88 THR HG23 H 1 1.309 0.027 . 1 . . . . 88 T QG2 . 17320 1 1002 . 1 1 88 88 THR CA C 13 65.425 0.12 . 1 . . . . 88 T CA . 17320 1 1003 . 1 1 88 88 THR CB C 13 68.646 0.12 . 1 . . . . 88 T CB . 17320 1 1004 . 1 1 88 88 THR CG2 C 13 21.505 0.12 . 1 . . . . 88 T CG2 . 17320 1 1005 . 1 1 88 88 THR N N 15 113.242 0.16 . 1 . . . . 88 T N . 17320 1 1006 . 1 1 89 89 LEU H H 1 7.227 0.027 . 1 . . . . 89 L HN . 17320 1 1007 . 1 1 89 89 LEU HA H 1 4.323 0.027 . 1 . . . . 89 L HA . 17320 1 1008 . 1 1 89 89 LEU HB2 H 1 1.614 0.027 . 2 . . . . 89 L QB . 17320 1 1009 . 1 1 89 89 LEU HB3 H 1 1.614 0.027 . 2 . . . . 89 L QB . 17320 1 1010 . 1 1 89 89 LEU HG H 1 1.532 0.027 . 1 . . . . 89 L HG . 17320 1 1011 . 1 1 89 89 LEU HD11 H 1 0.763 0.027 . 1 . . . . 89 L QD1 . 17320 1 1012 . 1 1 89 89 LEU HD12 H 1 0.763 0.027 . 1 . . . . 89 L QD1 . 17320 1 1013 . 1 1 89 89 LEU HD13 H 1 0.763 0.027 . 1 . . . . 89 L QD1 . 17320 1 1014 . 1 1 89 89 LEU HD21 H 1 0.747 0.027 . 1 . . . . 89 L QD2 . 17320 1 1015 . 1 1 89 89 LEU HD22 H 1 0.747 0.027 . 1 . . . . 89 L QD2 . 17320 1 1016 . 1 1 89 89 LEU HD23 H 1 0.747 0.027 . 1 . . . . 89 L QD2 . 17320 1 1017 . 1 1 89 89 LEU CA C 13 54.463 0.12 . 1 . . . . 89 L CA . 17320 1 1018 . 1 1 89 89 LEU CB C 13 42.567 0.12 . 1 . . . . 89 L CB . 17320 1 1019 . 1 1 89 89 LEU CG C 13 26.926 0.12 . 1 . . . . 89 L CG . 17320 1 1020 . 1 1 89 89 LEU CD1 C 13 22.442 0.12 . 2 . . . . 89 L CD1 . 17320 1 1021 . 1 1 89 89 LEU CD2 C 13 25.330 0.12 . 2 . . . . 89 L CD2 . 17320 1 1022 . 1 1 89 89 LEU N N 15 118.917 0.16 . 1 . . . . 89 L N . 17320 1 1023 . 1 1 90 90 GLY H H 1 7.732 0.027 . 1 . . . . 90 G HN . 17320 1 1024 . 1 1 90 90 GLY HA2 H 1 3.754 0.027 . 2 . . . . 90 G HA1 . 17320 1 1025 . 1 1 90 90 GLY HA3 H 1 4.043 0.027 . 2 . . . . 90 G HA2 . 17320 1 1026 . 1 1 90 90 GLY CA C 13 45.655 0.12 . 1 . . . . 90 G CA . 17320 1 1027 . 1 1 90 90 GLY N N 15 106.101 0.16 . 1 . . . . 90 G N . 17320 1 1028 . 1 1 91 91 HIS H H 1 8.052 0.027 . 1 . . . . 91 H HN . 17320 1 1029 . 1 1 91 91 HIS HA H 1 4.832 0.027 . 1 . . . . 91 H HA . 17320 1 1030 . 1 1 91 91 HIS HB2 H 1 2.864 0.027 . 2 . . . . 91 H HB2 . 17320 1 1031 . 1 1 91 91 HIS HB3 H 1 3.118 0.027 . 2 . . . . 91 H HB3 . 17320 1 1032 . 1 1 91 91 HIS HD2 H 1 6.902 0.027 . 1 . . . . 91 H HD2 . 17320 1 1033 . 1 1 91 91 HIS CA C 13 54.472 0.12 . 1 . . . . 91 H CA . 17320 1 1034 . 1 1 91 91 HIS CB C 13 31.387 0.12 . 1 . . . . 91 H CB . 17320 1 1035 . 1 1 91 91 HIS CD2 C 13 117.571 0.12 . 1 . . . . 91 H CD2 . 17320 1 1036 . 1 1 91 91 HIS N N 15 118.030 0.16 . 1 . . . . 91 H N . 17320 1 1037 . 1 1 92 92 CYS HA H 1 4.401 0.027 . 1 . . . . 92 C HA . 17320 1 1038 . 1 1 92 92 CYS HB2 H 1 2.867 0.027 . 2 . . . . 92 C QB . 17320 1 1039 . 1 1 92 92 CYS HB3 H 1 2.867 0.027 . 2 . . . . 92 C QB . 17320 1 1040 . 1 1 92 92 CYS CA C 13 58.613 0.12 . 1 . . . . 92 C CA . 17320 1 1041 . 1 1 92 92 CYS CB C 13 27.471 0.12 . 1 . . . . 92 C CB . 17320 1 1042 . 1 1 93 93 CYS H H 1 8.662 0.027 . 1 . . . . 93 C HN . 17320 1 1043 . 1 1 93 93 CYS HA H 1 4.753 0.027 . 1 . . . . 93 C HA . 17320 1 1044 . 1 1 93 93 CYS HB2 H 1 2.917 0.027 . 2 . . . . 93 C HB2 . 17320 1 1045 . 1 1 93 93 CYS HB3 H 1 3.060 0.027 . 2 . . . . 93 C HB3 . 17320 1 1046 . 1 1 93 93 CYS CA C 13 58.658 0.12 . 1 . . . . 93 C CA . 17320 1 1047 . 1 1 93 93 CYS CB C 13 28.550 0.12 . 1 . . . . 93 C CB . 17320 1 1048 . 1 1 93 93 CYS N N 15 123.236 0.16 . 1 . . . . 93 C N . 17320 1 1049 . 1 1 94 94 THR H H 1 8.488 0.027 . 1 . . . . 94 T HN . 17320 1 1050 . 1 1 94 94 THR HA H 1 4.440 0.027 . 1 . . . . 94 T HA . 17320 1 1051 . 1 1 94 94 THR HB H 1 4.358 0.027 . 1 . . . . 94 T HB . 17320 1 1052 . 1 1 94 94 THR HG21 H 1 1.244 0.027 . 1 . . . . 94 T QG2 . 17320 1 1053 . 1 1 94 94 THR HG22 H 1 1.244 0.027 . 1 . . . . 94 T QG2 . 17320 1 1054 . 1 1 94 94 THR HG23 H 1 1.244 0.027 . 1 . . . . 94 T QG2 . 17320 1 1055 . 1 1 94 94 THR CA C 13 61.339 0.12 . 1 . . . . 94 T CA . 17320 1 1056 . 1 1 94 94 THR CB C 13 69.276 0.12 . 1 . . . . 94 T CB . 17320 1 1057 . 1 1 94 94 THR CG2 C 13 21.302 0.12 . 1 . . . . 94 T CG2 . 17320 1 1058 . 1 1 94 94 THR N N 15 115.599 0.16 . 1 . . . . 94 T N . 17320 1 1059 . 1 1 95 95 SER H H 1 8.400 0.027 . 1 . . . . 95 S HN . 17320 1 1060 . 1 1 95 95 SER HA H 1 4.332 0.027 . 1 . . . . 95 S HA . 17320 1 1061 . 1 1 95 95 SER HB2 H 1 3.897 0.027 . 2 . . . . 95 S QB . 17320 1 1062 . 1 1 95 95 SER HB3 H 1 3.897 0.027 . 2 . . . . 95 S QB . 17320 1 1063 . 1 1 95 95 SER CA C 13 59.122 0.12 . 1 . . . . 95 S CA . 17320 1 1064 . 1 1 95 95 SER CB C 13 63.122 0.12 . 1 . . . . 95 S CB . 17320 1 1065 . 1 1 95 95 SER N N 15 117.252 0.16 . 1 . . . . 95 S N . 17320 1 1066 . 1 1 96 96 LYS H H 1 8.117 0.027 . 1 . . . . 96 K HN . 17320 1 1067 . 1 1 96 96 LYS HA H 1 4.236 0.027 . 1 . . . . 96 K HA . 17320 1 1068 . 1 1 96 96 LYS HB2 H 1 1.666 0.027 . 2 . . . . 96 K HB2 . 17320 1 1069 . 1 1 96 96 LYS HB3 H 1 1.787 0.027 . 2 . . . . 96 K HB3 . 17320 1 1070 . 1 1 96 96 LYS HG2 H 1 1.324 0.027 . 2 . . . . 96 K HG2 . 17320 1 1071 . 1 1 96 96 LYS HG3 H 1 1.390 0.027 . 2 . . . . 96 K HG3 . 17320 1 1072 . 1 1 96 96 LYS HD2 H 1 1.637 0.027 . 2 . . . . 96 K QD . 17320 1 1073 . 1 1 96 96 LYS HD3 H 1 1.637 0.027 . 2 . . . . 96 K QD . 17320 1 1074 . 1 1 96 96 LYS HE2 H 1 2.948 0.027 . 2 . . . . 96 K QE . 17320 1 1075 . 1 1 96 96 LYS HE3 H 1 2.948 0.027 . 2 . . . . 96 K QE . 17320 1 1076 . 1 1 96 96 LYS CA C 13 55.736 0.12 . 1 . . . . 96 K CA . 17320 1 1077 . 1 1 96 96 LYS CB C 13 32.065 0.12 . 1 . . . . 96 K CB . 17320 1 1078 . 1 1 96 96 LYS CG C 13 24.574 0.12 . 1 . . . . 96 K CG . 17320 1 1079 . 1 1 96 96 LYS CD C 13 28.768 0.12 . 1 . . . . 96 K CD . 17320 1 1080 . 1 1 96 96 LYS CE C 13 41.771 0.12 . 1 . . . . 96 K CE . 17320 1 1081 . 1 1 96 96 LYS N N 15 120.426 0.16 . 1 . . . . 96 K N . 17320 1 1082 . 1 1 97 97 MET H H 1 7.693 0.027 . 1 . . . . 97 M HN . 17320 1 1083 . 1 1 97 97 MET HA H 1 4.119 0.027 . 1 . . . . 97 M HA . 17320 1 1084 . 1 1 97 97 MET HB2 H 1 1.779 0.027 . 2 . . . . 97 M HB2 . 17320 1 1085 . 1 1 97 97 MET HB3 H 1 1.813 0.027 . 2 . . . . 97 M HB3 . 17320 1 1086 . 1 1 97 97 MET HG2 H 1 2.182 0.027 . 2 . . . . 97 M QG . 17320 1 1087 . 1 1 97 97 MET HG3 H 1 2.182 0.027 . 2 . . . . 97 M QG . 17320 1 1088 . 1 1 97 97 MET HE1 H 1 1.736 0.027 . 1 . . . . 97 M QE . 17320 1 1089 . 1 1 97 97 MET HE2 H 1 1.736 0.027 . 1 . . . . 97 M QE . 17320 1 1090 . 1 1 97 97 MET HE3 H 1 1.736 0.027 . 1 . . . . 97 M QE . 17320 1 1091 . 1 1 97 97 MET CA C 13 55.408 0.12 . 1 . . . . 97 M CA . 17320 1 1092 . 1 1 97 97 MET CB C 13 33.382 0.12 . 1 . . . . 97 M CB . 17320 1 1093 . 1 1 97 97 MET CG C 13 31.311 0.12 . 1 . . . . 97 M CG . 17320 1 1094 . 1 1 97 97 MET CE C 13 16.800 0.12 . 1 . . . . 97 M CE . 17320 1 1095 . 1 1 97 97 MET N N 15 121.176 0.16 . 1 . . . . 97 M N . 17320 1 1096 . 1 1 98 98 HIS H H 1 8.615 0.027 . 1 . . . . 98 H HN . 17320 1 1097 . 1 1 98 98 HIS HA H 1 4.550 0.027 . 1 . . . . 98 H HA . 17320 1 1098 . 1 1 98 98 HIS HB2 H 1 3.003 0.027 . 2 . . . . 98 H HB2 . 17320 1 1099 . 1 1 98 98 HIS HB3 H 1 2.905 0.027 . 2 . . . . 98 H HB3 . 17320 1 1100 . 1 1 98 98 HIS HD2 H 1 6.841 0.027 . 1 . . . . 98 H HD2 . 17320 1 1101 . 1 1 98 98 HIS CA C 13 54.751 0.12 . 1 . . . . 98 H CA . 17320 1 1102 . 1 1 98 98 HIS CB C 13 29.841 0.12 . 1 . . . . 98 H CB . 17320 1 1103 . 1 1 98 98 HIS CD2 C 13 117.696 0.12 . 1 . . . . 98 H CD2 . 17320 1 1104 . 1 1 98 98 HIS N N 15 122.833 0.16 . 1 . . . . 98 H N . 17320 1 1105 . 1 1 99 99 LEU H H 1 8.718 0.027 . 1 . . . . 99 L HN . 17320 1 1106 . 1 1 99 99 LEU HA H 1 4.414 0.027 . 1 . . . . 99 L HA . 17320 1 1107 . 1 1 99 99 LEU HB2 H 1 1.667 0.027 . 2 . . . . 99 L HB2 . 17320 1 1108 . 1 1 99 99 LEU HB3 H 1 1.041 0.027 . 2 . . . . 99 L HB3 . 17320 1 1109 . 1 1 99 99 LEU HG H 1 1.418 0.027 . 1 . . . . 99 L HG . 17320 1 1110 . 1 1 99 99 LEU HD11 H 1 0.584 0.027 . 2 . . . . 99 L QD1 . 17320 1 1111 . 1 1 99 99 LEU HD12 H 1 0.584 0.027 . 2 . . . . 99 L QD1 . 17320 1 1112 . 1 1 99 99 LEU HD13 H 1 0.584 0.027 . 2 . . . . 99 L QD1 . 17320 1 1113 . 1 1 99 99 LEU HD21 H 1 0.534 0.027 . 2 . . . . 99 L QD2 . 17320 1 1114 . 1 1 99 99 LEU HD22 H 1 0.534 0.027 . 2 . . . . 99 L QD2 . 17320 1 1115 . 1 1 99 99 LEU HD23 H 1 0.534 0.027 . 2 . . . . 99 L QD2 . 17320 1 1116 . 1 1 99 99 LEU CA C 13 53.496 0.12 . 1 . . . . 99 L CA . 17320 1 1117 . 1 1 99 99 LEU CB C 13 42.329 0.12 . 1 . . . . 99 L CB . 17320 1 1118 . 1 1 99 99 LEU CG C 13 26.394 0.12 . 1 . . . . 99 L CG . 17320 1 1119 . 1 1 99 99 LEU CD1 C 13 22.878 0.12 . 2 . . . . 99 L CD1 . 17320 1 1120 . 1 1 99 99 LEU CD2 C 13 26.296 0.12 . 2 . . . . 99 L CD2 . 17320 1 1121 . 1 1 99 99 LEU N N 15 123.629 0.16 . 1 . . . . 99 L N . 17320 1 1122 . 1 1 100 100 HIS H H 1 9.435 0.027 . 1 . . . . 100 H HN . 17320 1 1123 . 1 1 100 100 HIS HA H 1 4.765 0.027 . 1 . . . . 100 H HA . 17320 1 1124 . 1 1 100 100 HIS HB2 H 1 3.144 0.027 . 2 . . . . 100 H HB2 . 17320 1 1125 . 1 1 100 100 HIS HB3 H 1 3.326 0.027 . 2 . . . . 100 H HB3 . 17320 1 1126 . 1 1 100 100 HIS HD2 H 1 7.139 0.027 . 1 . . . . 100 H HD2 . 17320 1 1127 . 1 1 100 100 HIS CA C 13 56.126 0.12 . 1 . . . . 100 H CA . 17320 1 1128 . 1 1 100 100 HIS CB C 13 30.706 0.12 . 1 . . . . 100 H CB . 17320 1 1129 . 1 1 100 100 HIS CD2 C 13 118.457 0.12 . 1 . . . . 100 H CD2 . 17320 1 1130 . 1 1 100 100 HIS CE1 C 13 118.436 0.12 . 1 . . . . 100 H CE1 . 17320 1 1131 . 1 1 100 100 HIS N N 15 118.871 0.16 . 1 . . . . 100 H N . 17320 1 1132 . 1 1 101 101 SER H H 1 7.679 0.027 . 1 . . . . 101 S HN . 17320 1 1133 . 1 1 101 101 SER HA H 1 4.875 0.027 . 1 . . . . 101 S HA . 17320 1 1134 . 1 1 101 101 SER HB2 H 1 4.231 0.027 . 2 . . . . 101 S HB2 . 17320 1 1135 . 1 1 101 101 SER HB3 H 1 3.943 0.027 . 2 . . . . 101 S HB3 . 17320 1 1136 . 1 1 101 101 SER CA C 13 55.840 0.12 . 1 . . . . 101 S CA . 17320 1 1137 . 1 1 101 101 SER CB C 13 66.233 0.12 . 1 . . . . 101 S CB . 17320 1 1138 . 1 1 101 101 SER N N 15 110.549 0.16 . 1 . . . . 101 S N . 17320 1 1139 . 1 1 102 102 VAL H H 1 8.893 0.027 . 1 . . . . 102 V HN . 17320 1 1140 . 1 1 102 102 VAL HA H 1 3.389 0.027 . 1 . . . . 102 V HA . 17320 1 1141 . 1 1 102 102 VAL HB H 1 1.705 0.027 . 1 . . . . 102 V HB . 17320 1 1142 . 1 1 102 102 VAL HG11 H 1 0.567 0.027 . 1 . . . . 102 V QG1 . 17320 1 1143 . 1 1 102 102 VAL HG12 H 1 0.567 0.027 . 1 . . . . 102 V QG1 . 17320 1 1144 . 1 1 102 102 VAL HG13 H 1 0.567 0.027 . 1 . . . . 102 V QG1 . 17320 1 1145 . 1 1 102 102 VAL HG21 H 1 0.610 0.027 . 1 . . . . 102 V QG2 . 17320 1 1146 . 1 1 102 102 VAL HG22 H 1 0.610 0.027 . 1 . . . . 102 V QG2 . 17320 1 1147 . 1 1 102 102 VAL HG23 H 1 0.610 0.027 . 1 . . . . 102 V QG2 . 17320 1 1148 . 1 1 102 102 VAL CA C 13 67.123 0.12 . 1 . . . . 102 V CA . 17320 1 1149 . 1 1 102 102 VAL CB C 13 31.220 0.12 . 1 . . . . 102 V CB . 17320 1 1150 . 1 1 102 102 VAL CG1 C 13 20.900 0.12 . 2 . . . . 102 V CG1 . 17320 1 1151 . 1 1 102 102 VAL CG2 C 13 23.358 0.12 . 2 . . . . 102 V CG2 . 17320 1 1152 . 1 1 102 102 VAL N N 15 122.421 0.16 . 1 . . . . 102 V N . 17320 1 1153 . 1 1 103 103 MET H H 1 8.701 0.027 . 1 . . . . 103 M HN . 17320 1 1154 . 1 1 103 103 MET HA H 1 4.133 0.027 . 1 . . . . 103 M HA . 17320 1 1155 . 1 1 103 103 MET HB2 H 1 2.119 0.027 . 2 . . . . 103 M HB2 . 17320 1 1156 . 1 1 103 103 MET HB3 H 1 1.974 0.027 . 2 . . . . 103 M HB3 . 17320 1 1157 . 1 1 103 103 MET HG2 H 1 2.588 0.027 . 2 . . . . 103 M HG2 . 17320 1 1158 . 1 1 103 103 MET HG3 H 1 2.682 0.027 . 2 . . . . 103 M HG3 . 17320 1 1159 . 1 1 103 103 MET HE1 H 1 2.120 0.027 . 1 . . . . 103 M QE . 17320 1 1160 . 1 1 103 103 MET HE2 H 1 2.120 0.027 . 1 . . . . 103 M QE . 17320 1 1161 . 1 1 103 103 MET HE3 H 1 2.120 0.027 . 1 . . . . 103 M QE . 17320 1 1162 . 1 1 103 103 MET CA C 13 58.420 0.12 . 1 . . . . 103 M CA . 17320 1 1163 . 1 1 103 103 MET CB C 13 31.473 0.12 . 1 . . . . 103 M CB . 17320 1 1164 . 1 1 103 103 MET CG C 13 32.618 0.12 . 1 . . . . 103 M CG . 17320 1 1165 . 1 1 103 103 MET CE C 13 17.476 0.12 . 1 . . . . 103 M CE . 17320 1 1166 . 1 1 103 103 MET N N 15 119.385 0.16 . 1 . . . . 103 M N . 17320 1 1167 . 1 1 104 104 ASP H H 1 8.018 0.027 . 1 . . . . 104 D HN . 17320 1 1168 . 1 1 104 104 ASP HA H 1 4.362 0.027 . 1 . . . . 104 D HA . 17320 1 1169 . 1 1 104 104 ASP HB2 H 1 2.897 0.027 . 2 . . . . 104 D HB2 . 17320 1 1170 . 1 1 104 104 ASP HB3 H 1 2.771 0.027 . 2 . . . . 104 D HB3 . 17320 1 1171 . 1 1 104 104 ASP CA C 13 57.168 0.12 . 1 . . . . 104 D CA . 17320 1 1172 . 1 1 104 104 ASP CB C 13 40.595 0.12 . 1 . . . . 104 D CB . 17320 1 1173 . 1 1 104 104 ASP N N 15 117.378 0.16 . 1 . . . . 104 D N . 17320 1 1174 . 1 1 105 105 ALA H H 1 7.858 0.027 . 1 . . . . 105 A HN . 17320 1 1175 . 1 1 105 105 ALA HA H 1 4.062 0.027 . 1 . . . . 105 A HA . 17320 1 1176 . 1 1 105 105 ALA HB1 H 1 1.492 0.027 . 1 . . . . 105 A QB . 17320 1 1177 . 1 1 105 105 ALA HB2 H 1 1.492 0.027 . 1 . . . . 105 A QB . 17320 1 1178 . 1 1 105 105 ALA HB3 H 1 1.492 0.027 . 1 . . . . 105 A QB . 17320 1 1179 . 1 1 105 105 ALA CA C 13 54.857 0.12 . 1 . . . . 105 A CA . 17320 1 1180 . 1 1 105 105 ALA CB C 13 18.196 0.12 . 1 . . . . 105 A CB . 17320 1 1181 . 1 1 105 105 ALA N N 15 121.918 0.16 . 1 . . . . 105 A N . 17320 1 1182 . 1 1 106 106 ILE H H 1 8.443 0.027 . 1 . . . . 106 I HN . 17320 1 1183 . 1 1 106 106 ILE HA H 1 3.432 0.027 . 1 . . . . 106 I HA . 17320 1 1184 . 1 1 106 106 ILE HB H 1 2.117 0.027 . 1 . . . . 106 I HB . 17320 1 1185 . 1 1 106 106 ILE HG12 H 1 0.889 0.027 . 2 . . . . 106 I HG12 . 17320 1 1186 . 1 1 106 106 ILE HG13 H 1 1.815 0.027 . 2 . . . . 106 I HG13 . 17320 1 1187 . 1 1 106 106 ILE HG21 H 1 0.847 0.027 . 1 . . . . 106 I QG2 . 17320 1 1188 . 1 1 106 106 ILE HG22 H 1 0.847 0.027 . 1 . . . . 106 I QG2 . 17320 1 1189 . 1 1 106 106 ILE HG23 H 1 0.847 0.027 . 1 . . . . 106 I QG2 . 17320 1 1190 . 1 1 106 106 ILE HD11 H 1 0.745 0.027 . 1 . . . . 106 I QD1 . 17320 1 1191 . 1 1 106 106 ILE HD12 H 1 0.745 0.027 . 1 . . . . 106 I QD1 . 17320 1 1192 . 1 1 106 106 ILE HD13 H 1 0.745 0.027 . 1 . . . . 106 I QD1 . 17320 1 1193 . 1 1 106 106 ILE CA C 13 65.847 0.12 . 1 . . . . 106 I CA . 17320 1 1194 . 1 1 106 106 ILE CB C 13 37.100 0.12 . 1 . . . . 106 I CB . 17320 1 1195 . 1 1 106 106 ILE CG1 C 13 29.662 0.12 . 1 . . . . 106 I CG1 . 17320 1 1196 . 1 1 106 106 ILE CG2 C 13 16.359 0.12 . 1 . . . . 106 I CG2 . 17320 1 1197 . 1 1 106 106 ILE CD1 C 13 13.703 0.12 . 1 . . . . 106 I CD1 . 17320 1 1198 . 1 1 106 106 ILE N N 15 118.903 0.16 . 1 . . . . 106 I N . 17320 1 1199 . 1 1 107 107 ASP H H 1 8.328 0.027 . 1 . . . . 107 D HN . 17320 1 1200 . 1 1 107 107 ASP HA H 1 4.375 0.027 . 1 . . . . 107 D HA . 17320 1 1201 . 1 1 107 107 ASP HB2 H 1 2.771 0.027 . 2 . . . . 107 D HB2 . 17320 1 1202 . 1 1 107 107 ASP HB3 H 1 2.667 0.027 . 2 . . . . 107 D HB3 . 17320 1 1203 . 1 1 107 107 ASP CA C 13 57.378 0.12 . 1 . . . . 107 D CA . 17320 1 1204 . 1 1 107 107 ASP CB C 13 39.825 0.12 . 1 . . . . 107 D CB . 17320 1 1205 . 1 1 107 107 ASP N N 15 119.561 0.16 . 1 . . . . 107 D N . 17320 1 1206 . 1 1 108 108 PHE H H 1 8.085 0.027 . 1 . . . . 108 F HN . 17320 1 1207 . 1 1 108 108 PHE HA H 1 4.112 0.027 . 1 . . . . 108 F HA . 17320 1 1208 . 1 1 108 108 PHE HB2 H 1 3.155 0.027 . 2 . . . . 108 F HB2 . 17320 1 1209 . 1 1 108 108 PHE HB3 H 1 3.270 0.027 . 2 . . . . 108 F HB3 . 17320 1 1210 . 1 1 108 108 PHE HD1 H 1 7.039 0.027 . 3 . . . . 108 F QD . 17320 1 1211 . 1 1 108 108 PHE HD2 H 1 7.039 0.027 . 3 . . . . 108 F QD . 17320 1 1212 . 1 1 108 108 PHE HE1 H 1 7.195 0.027 . 3 . . . . 108 F QE . 17320 1 1213 . 1 1 108 108 PHE HE2 H 1 7.195 0.027 . 3 . . . . 108 F QE . 17320 1 1214 . 1 1 108 108 PHE HZ H 1 7.318 0.027 . 1 . . . . 108 F HZ . 17320 1 1215 . 1 1 108 108 PHE CA C 13 61.072 0.12 . 1 . . . . 108 F CA . 17320 1 1216 . 1 1 108 108 PHE CB C 13 39.311 0.12 . 1 . . . . 108 F CB . 17320 1 1217 . 1 1 108 108 PHE CD1 C 13 129.462 0.12 . 3 . . . . 108 F CD1 . 17320 1 1218 . 1 1 108 108 PHE CD2 C 13 129.462 0.12 . 3 . . . . 108 F CD2 . 17320 1 1219 . 1 1 108 108 PHE CE1 C 13 129.556 0.12 . 3 . . . . 108 F CE1 . 17320 1 1220 . 1 1 108 108 PHE CE2 C 13 129.556 0.12 . 3 . . . . 108 F CE2 . 17320 1 1221 . 1 1 108 108 PHE CZ C 13 128.137 0.12 . 1 . . . . 108 F CZ . 17320 1 1222 . 1 1 108 108 PHE N N 15 120.983 0.16 . 1 . . . . 108 F N . 17320 1 1223 . 1 1 109 109 LEU H H 1 8.519 0.027 . 1 . . . . 109 L HN . 17320 1 1224 . 1 1 109 109 LEU HA H 1 3.785 0.027 . 1 . . . . 109 L HA . 17320 1 1225 . 1 1 109 109 LEU HB2 H 1 1.387 0.027 . 2 . . . . 109 L HB2 . 17320 1 1226 . 1 1 109 109 LEU HB3 H 1 1.877 0.027 . 2 . . . . 109 L HB3 . 17320 1 1227 . 1 1 109 109 LEU HG H 1 1.943 0.027 . 1 . . . . 109 L HG . 17320 1 1228 . 1 1 109 109 LEU HD11 H 1 0.465 0.027 . 2 . . . . 109 L QD1 . 17320 1 1229 . 1 1 109 109 LEU HD12 H 1 0.465 0.027 . 2 . . . . 109 L QD1 . 17320 1 1230 . 1 1 109 109 LEU HD13 H 1 0.465 0.027 . 2 . . . . 109 L QD1 . 17320 1 1231 . 1 1 109 109 LEU HD21 H 1 0.447 0.027 . 2 . . . . 109 L QD2 . 17320 1 1232 . 1 1 109 109 LEU HD22 H 1 0.447 0.027 . 2 . . . . 109 L QD2 . 17320 1 1233 . 1 1 109 109 LEU HD23 H 1 0.447 0.027 . 2 . . . . 109 L QD2 . 17320 1 1234 . 1 1 109 109 LEU CA C 13 57.234 0.12 . 1 . . . . 109 L CA . 17320 1 1235 . 1 1 109 109 LEU CB C 13 41.117 0.12 . 1 . . . . 109 L CB . 17320 1 1236 . 1 1 109 109 LEU CG C 13 26.294 0.12 . 1 . . . . 109 L CG . 17320 1 1237 . 1 1 109 109 LEU CD1 C 13 25.303 0.12 . 2 . . . . 109 L CD1 . 17320 1 1238 . 1 1 109 109 LEU CD2 C 13 22.313 0.12 . 2 . . . . 109 L CD2 . 17320 1 1239 . 1 1 109 109 LEU N N 15 118.254 0.16 . 1 . . . . 109 L N . 17320 1 1240 . 1 1 110 110 ASN H H 1 8.425 0.027 . 1 . . . . 110 N HN . 17320 1 1241 . 1 1 110 110 ASN HA H 1 4.488 0.027 . 1 . . . . 110 N HA . 17320 1 1242 . 1 1 110 110 ASN HB2 H 1 2.830 0.027 . 2 . . . . 110 N QB . 17320 1 1243 . 1 1 110 110 ASN HB3 H 1 2.830 0.027 . 2 . . . . 110 N QB . 17320 1 1244 . 1 1 110 110 ASN HD21 H 1 7.676 0.027 . 2 . . . . 110 N HD21 . 17320 1 1245 . 1 1 110 110 ASN HD22 H 1 6.766 0.027 . 2 . . . . 110 N HD22 . 17320 1 1246 . 1 1 110 110 ASN CA C 13 54.986 0.12 . 1 . . . . 110 N CA . 17320 1 1247 . 1 1 110 110 ASN CB C 13 38.493 0.12 . 1 . . . . 110 N CB . 17320 1 1248 . 1 1 110 110 ASN N N 15 116.391 0.16 . 1 . . . . 110 N N . 17320 1 1249 . 1 1 110 110 ASN ND2 N 15 110.461 0.16 . 1 . . . . 110 N ND2 . 17320 1 1250 . 1 1 111 111 ALA H H 1 7.483 0.027 . 1 . . . . 111 A HN . 17320 1 1251 . 1 1 111 111 ALA HA H 1 4.270 0.027 . 1 . . . . 111 A HA . 17320 1 1252 . 1 1 111 111 ALA HB1 H 1 1.348 0.027 . 1 . . . . 111 A QB . 17320 1 1253 . 1 1 111 111 ALA HB2 H 1 1.348 0.027 . 1 . . . . 111 A QB . 17320 1 1254 . 1 1 111 111 ALA HB3 H 1 1.348 0.027 . 1 . . . . 111 A QB . 17320 1 1255 . 1 1 111 111 ALA CA C 13 52.429 0.12 . 1 . . . . 111 A CA . 17320 1 1256 . 1 1 111 111 ALA CB C 13 18.348 0.12 . 1 . . . . 111 A CB . 17320 1 1257 . 1 1 111 111 ALA N N 15 120.361 0.16 . 1 . . . . 111 A N . 17320 1 1258 . 1 1 112 112 LEU H H 1 7.153 0.027 . 1 . . . . 112 L HN . 17320 1 1259 . 1 1 112 112 LEU HA H 1 3.880 0.027 . 1 . . . . 112 L HA . 17320 1 1260 . 1 1 112 112 LEU HB2 H 1 1.584 0.027 . 2 . . . . 112 L HB2 . 17320 1 1261 . 1 1 112 112 LEU HB3 H 1 1.149 0.027 . 2 . . . . 112 L HB3 . 17320 1 1262 . 1 1 112 112 LEU HG H 1 1.447 0.027 . 1 . . . . 112 L HG . 17320 1 1263 . 1 1 112 112 LEU HD11 H 1 0.709 0.027 . 2 . . . . 112 L QD1 . 17320 1 1264 . 1 1 112 112 LEU HD12 H 1 0.709 0.027 . 2 . . . . 112 L QD1 . 17320 1 1265 . 1 1 112 112 LEU HD13 H 1 0.709 0.027 . 2 . . . . 112 L QD1 . 17320 1 1266 . 1 1 112 112 LEU HD21 H 1 0.467 0.027 . 2 . . . . 112 L QD2 . 17320 1 1267 . 1 1 112 112 LEU HD22 H 1 0.467 0.027 . 2 . . . . 112 L QD2 . 17320 1 1268 . 1 1 112 112 LEU HD23 H 1 0.467 0.027 . 2 . . . . 112 L QD2 . 17320 1 1269 . 1 1 112 112 LEU CA C 13 55.786 0.12 . 1 . . . . 112 L CA . 17320 1 1270 . 1 1 112 112 LEU CB C 13 42.057 0.12 . 1 . . . . 112 L CB . 17320 1 1271 . 1 1 112 112 LEU CG C 13 25.802 0.12 . 1 . . . . 112 L CG . 17320 1 1272 . 1 1 112 112 LEU CD1 C 13 25.765 0.12 . 2 . . . . 112 L CD1 . 17320 1 1273 . 1 1 112 112 LEU CD2 C 13 23.049 0.12 . 2 . . . . 112 L CD2 . 17320 1 1274 . 1 1 112 112 LEU N N 15 118.093 0.16 . 1 . . . . 112 L N . 17320 1 1275 . 1 1 113 113 GLU H H 1 7.769 0.027 . 1 . . . . 113 E HN . 17320 1 1276 . 1 1 113 113 GLU HA H 1 4.297 0.027 . 1 . . . . 113 E HA . 17320 1 1277 . 1 1 113 113 GLU HB2 H 1 2.133 0.027 . 2 . . . . 113 E HB2 . 17320 1 1278 . 1 1 113 113 GLU HB3 H 1 1.958 0.027 . 2 . . . . 113 E HB3 . 17320 1 1279 . 1 1 113 113 GLU HG2 H 1 2.260 0.027 . 2 . . . . 113 E HG2 . 17320 1 1280 . 1 1 113 113 GLU HG3 H 1 2.350 0.027 . 2 . . . . 113 E HG3 . 17320 1 1281 . 1 1 113 113 GLU CA C 13 56.014 0.12 . 1 . . . . 113 E CA . 17320 1 1282 . 1 1 113 113 GLU CB C 13 30.453 0.12 . 1 . . . . 113 E CB . 17320 1 1283 . 1 1 113 113 GLU CG C 13 35.969 0.12 . 1 . . . . 113 E CG . 17320 1 1284 . 1 1 113 113 GLU N N 15 117.901 0.16 . 1 . . . . 113 E N . 17320 1 1285 . 1 1 114 114 GLY H H 1 7.810 0.027 . 1 . . . . 114 G HN . 17320 1 1286 . 1 1 114 114 GLY HA2 H 1 3.762 0.027 . 2 . . . . 114 G HA1 . 17320 1 1287 . 1 1 114 114 GLY HA3 H 1 4.046 0.027 . 2 . . . . 114 G HA2 . 17320 1 1288 . 1 1 114 114 GLY CA C 13 46.115 0.12 . 1 . . . . 114 G CA . 17320 1 1289 . 1 1 114 114 GLY N N 15 114.241 0.16 . 1 . . . . 114 G N . 17320 1 stop_ save_