data_16320 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16320 _Entry.Title ; Solution structure of an archaeal protein SSO6904 from hyperthermophilic Sulfolobus solfataricus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-05-28 _Entry.Accession_date 2009-05-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yingang Feng . . . 16320 2 Hongwei Yao . . . 16320 3 Jinfeng Wang . . . 16320 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 . 'not applicable' 'not applicable' . 16320 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'helical protein' . 16320 'hypothetical protein' . 16320 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16320 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 433 16320 '15N chemical shifts' 96 16320 '1H chemical shifts' 703 16320 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 3 . . 2010-05-28 2009-05-28 update BMRB 'edit entity/assembly name' 16320 2 . . 2010-02-10 2009-05-28 update BMRB 'completed entry citation' 16320 1 . . 2009-10-14 2009-05-28 original author 'original release' 16320 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KJG 'BMRB Entry Tracking System' 16320 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16320 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19768683 _Citation.Full_citation . _Citation.Title 'Solution structure and calcium binding of protein SSO6904 from the hyperthermophilic archaeon Sulfolobus solfataricus.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _Citation.Journal_volume 78 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 474 _Citation.Page_last 479 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yingang Feng . . . 16320 1 2 Hongwei Yao . . . 16320 1 3 Jinfeng Wang . . . 16320 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16320 _Assembly.ID 1 _Assembly.Name SSO6904 _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 SSO6904 1 $entity A . yes native no no . . . 16320 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16320 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SSO6904 _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 ; MSILEDPEFVKLRQFKGKVN FNLVMQILDEIELDLRGSDN IKTSIIYVYSSHLDEIRKNK EFYDMIAEILQRYYKKIGIE NVNQLILTTIKLEHHHHHH ; _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 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11913.870 _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 2KJG . "Solution Structure Of An Archaeal Protein Sso6904 From Hyperthermophilic Sulfolobus Solfataricus" . . . . . 100.00 99 100.00 100.00 5.64e-63 . . . . 16320 1 2 no GB AAK41251 . "Hypothetical protein SSO6904 [Sulfolobus solfataricus P2]" . . . . . 91.92 94 100.00 100.00 1.22e-56 . . . . 16320 1 3 no GB ACX92167 . "conserved hypothetical protein [Sulfolobus solfataricus 98/2]" . . . . . 91.92 91 100.00 100.00 1.65e-56 . . . . 16320 1 4 no GB AKA75098 . "hypothetical protein SULB_1989 [Sulfolobus solfataricus]" . . . . . 91.92 91 100.00 100.00 1.65e-56 . . . . 16320 1 5 no GB AKA77791 . "hypothetical protein SULC_1987 [Sulfolobus solfataricus]" . . . . . 91.92 91 100.00 100.00 1.65e-56 . . . . 16320 1 6 no GB AKA80485 . "hypothetical protein SULA_1988 [Sulfolobus solfataricus]" . . . . . 91.92 91 100.00 100.00 1.65e-56 . . . . 16320 1 7 no REF WP_009992428 . "hypothetical protein [Sulfolobus solfataricus]" . . . . . 91.92 91 100.00 100.00 1.65e-56 . . . . 16320 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 . 16320 1 2 . SER . 16320 1 3 . ILE . 16320 1 4 . LEU . 16320 1 5 . GLU . 16320 1 6 . ASP . 16320 1 7 . PRO . 16320 1 8 . GLU . 16320 1 9 . PHE . 16320 1 10 . VAL . 16320 1 11 . LYS . 16320 1 12 . LEU . 16320 1 13 . ARG . 16320 1 14 . GLN . 16320 1 15 . PHE . 16320 1 16 . LYS . 16320 1 17 . GLY . 16320 1 18 . LYS . 16320 1 19 . VAL . 16320 1 20 . ASN . 16320 1 21 . PHE . 16320 1 22 . ASN . 16320 1 23 . LEU . 16320 1 24 . VAL . 16320 1 25 . MET . 16320 1 26 . GLN . 16320 1 27 . ILE . 16320 1 28 . LEU . 16320 1 29 . ASP . 16320 1 30 . GLU . 16320 1 31 . ILE . 16320 1 32 . GLU . 16320 1 33 . LEU . 16320 1 34 . ASP . 16320 1 35 . LEU . 16320 1 36 . ARG . 16320 1 37 . GLY . 16320 1 38 . SER . 16320 1 39 . ASP . 16320 1 40 . ASN . 16320 1 41 . ILE . 16320 1 42 . LYS . 16320 1 43 . THR . 16320 1 44 . SER . 16320 1 45 . ILE . 16320 1 46 . ILE . 16320 1 47 . TYR . 16320 1 48 . VAL . 16320 1 49 . TYR . 16320 1 50 . SER . 16320 1 51 . SER . 16320 1 52 . HIS . 16320 1 53 . LEU . 16320 1 54 . ASP . 16320 1 55 . GLU . 16320 1 56 . ILE . 16320 1 57 . ARG . 16320 1 58 . LYS . 16320 1 59 . ASN . 16320 1 60 . LYS . 16320 1 61 . GLU . 16320 1 62 . PHE . 16320 1 63 . TYR . 16320 1 64 . ASP . 16320 1 65 . MET . 16320 1 66 . ILE . 16320 1 67 . ALA . 16320 1 68 . GLU . 16320 1 69 . ILE . 16320 1 70 . LEU . 16320 1 71 . GLN . 16320 1 72 . ARG . 16320 1 73 . TYR . 16320 1 74 . TYR . 16320 1 75 . LYS . 16320 1 76 . LYS . 16320 1 77 . ILE . 16320 1 78 . GLY . 16320 1 79 . ILE . 16320 1 80 . GLU . 16320 1 81 . ASN . 16320 1 82 . VAL . 16320 1 83 . ASN . 16320 1 84 . GLN . 16320 1 85 . LEU . 16320 1 86 . ILE . 16320 1 87 . LEU . 16320 1 88 . THR . 16320 1 89 . THR . 16320 1 90 . ILE . 16320 1 91 . LYS . 16320 1 92 . LEU . 16320 1 93 . GLU . 16320 1 94 . HIS . 16320 1 95 . HIS . 16320 1 96 . HIS . 16320 1 97 . HIS . 16320 1 98 . HIS . 16320 1 99 . HIS . 16320 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 16320 1 . SER 2 2 16320 1 . ILE 3 3 16320 1 . LEU 4 4 16320 1 . GLU 5 5 16320 1 . ASP 6 6 16320 1 . PRO 7 7 16320 1 . GLU 8 8 16320 1 . PHE 9 9 16320 1 . VAL 10 10 16320 1 . LYS 11 11 16320 1 . LEU 12 12 16320 1 . ARG 13 13 16320 1 . GLN 14 14 16320 1 . PHE 15 15 16320 1 . LYS 16 16 16320 1 . GLY 17 17 16320 1 . LYS 18 18 16320 1 . VAL 19 19 16320 1 . ASN 20 20 16320 1 . PHE 21 21 16320 1 . ASN 22 22 16320 1 . LEU 23 23 16320 1 . VAL 24 24 16320 1 . MET 25 25 16320 1 . GLN 26 26 16320 1 . ILE 27 27 16320 1 . LEU 28 28 16320 1 . ASP 29 29 16320 1 . GLU 30 30 16320 1 . ILE 31 31 16320 1 . GLU 32 32 16320 1 . LEU 33 33 16320 1 . ASP 34 34 16320 1 . LEU 35 35 16320 1 . ARG 36 36 16320 1 . GLY 37 37 16320 1 . SER 38 38 16320 1 . ASP 39 39 16320 1 . ASN 40 40 16320 1 . ILE 41 41 16320 1 . LYS 42 42 16320 1 . THR 43 43 16320 1 . SER 44 44 16320 1 . ILE 45 45 16320 1 . ILE 46 46 16320 1 . TYR 47 47 16320 1 . VAL 48 48 16320 1 . TYR 49 49 16320 1 . SER 50 50 16320 1 . SER 51 51 16320 1 . HIS 52 52 16320 1 . LEU 53 53 16320 1 . ASP 54 54 16320 1 . GLU 55 55 16320 1 . ILE 56 56 16320 1 . ARG 57 57 16320 1 . LYS 58 58 16320 1 . ASN 59 59 16320 1 . LYS 60 60 16320 1 . GLU 61 61 16320 1 . PHE 62 62 16320 1 . TYR 63 63 16320 1 . ASP 64 64 16320 1 . MET 65 65 16320 1 . ILE 66 66 16320 1 . ALA 67 67 16320 1 . GLU 68 68 16320 1 . ILE 69 69 16320 1 . LEU 70 70 16320 1 . GLN 71 71 16320 1 . ARG 72 72 16320 1 . TYR 73 73 16320 1 . TYR 74 74 16320 1 . LYS 75 75 16320 1 . LYS 76 76 16320 1 . ILE 77 77 16320 1 . GLY 78 78 16320 1 . ILE 79 79 16320 1 . GLU 80 80 16320 1 . ASN 81 81 16320 1 . VAL 82 82 16320 1 . ASN 83 83 16320 1 . GLN 84 84 16320 1 . LEU 85 85 16320 1 . ILE 86 86 16320 1 . LEU 87 87 16320 1 . THR 88 88 16320 1 . THR 89 89 16320 1 . ILE 90 90 16320 1 . LYS 91 91 16320 1 . LEU 92 92 16320 1 . GLU 93 93 16320 1 . HIS 94 94 16320 1 . HIS 95 95 16320 1 . HIS 96 96 16320 1 . HIS 97 97 16320 1 . HIS 98 98 16320 1 . HIS 99 99 16320 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 16320 _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 $entity . 2287 organism . 'Sulfolobus solfataricus' 'Sulfolobus solfataricus' . . Archaea . Sulfolobus solfataricus . . . . . . . . . . . . . . . . . . . . . 16320 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 16320 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET30a . . . . . . 16320 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16320 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SS6904 '[U-13C; U-15N]' . . 1 $entity . . . 1 1.5 mM . . . . 16320 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16320 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16320 1 4 D2O '[U-99.8% 2H]' . . . . . . 10 . . % . . . . 16320 1 5 DSS 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 16320 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 16320 1 7 arginine 'natural abundance' . . . . . . 50 . . mM . . . . 16320 1 8 'glutamic acid' 'natural abundance' . . . . . . 50 . . mM . . . . 16320 1 9 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16320 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 16320 _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' 0.15 . M 16320 1 pH 7.2 . pH 16320 1 pressure 1 . atm 16320 1 temperature 310 . K 16320 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 16320 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16320 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16320 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 16320 _Software.ID 2 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 16320 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16320 2 'data analysis' 16320 2 'peak picking' 16320 2 processing 16320 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16320 _Software.ID 3 _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' . . 16320 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16320 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16320 _Software.ID 4 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16320 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16320 4 'structure solution' 16320 4 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 16320 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16320 _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 DMX . 600 . . . 16320 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 16320 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16320 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16320 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16320 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16320 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16320 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16320 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16320 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16320 1 9 '3D HBHANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16320 1 10 '3D (H)CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16320 1 11 '3D 1H-15N NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16320 1 12 '3D 1H-13C NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16320 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 16320 _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 . indirect 0.251449530 . . . . . . . . . 16320 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16320 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16320 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 16320 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16320 1 2 '2D 1H-13C HSQC' . . . 16320 1 3 '3D HNCA' . . . 16320 1 4 '3D HNCACB' . . . 16320 1 5 '3D CBCA(CO)NH' . . . 16320 1 6 '3D HNCO' . . . 16320 1 7 '3D HN(CA)CO' . . . 16320 1 8 '3D HBHA(CO)NH' . . . 16320 1 9 '3D HBHANH' . . . 16320 1 10 '3D (H)CCH-TOCSY' . . . 16320 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 3 3 ILE H H 1 8.31 0.02 . 1 . . . . 3 ILE H . 16320 1 2 . 1 1 3 3 ILE HA H 1 3.74 0.02 . 1 . . . . 3 ILE HA . 16320 1 3 . 1 1 3 3 ILE HB H 1 1.18 0.02 . 1 . . . . 3 ILE HB . 16320 1 4 . 1 1 3 3 ILE HD11 H 1 0.35 0.02 . 1 . . . . 3 ILE HD1 . 16320 1 5 . 1 1 3 3 ILE HD12 H 1 0.35 0.02 . 1 . . . . 3 ILE HD1 . 16320 1 6 . 1 1 3 3 ILE HD13 H 1 0.35 0.02 . 1 . . . . 3 ILE HD1 . 16320 1 7 . 1 1 3 3 ILE HG12 H 1 0.94 0.02 . 2 . . . . 3 ILE HG12 . 16320 1 8 . 1 1 3 3 ILE HG13 H 1 0.47 0.02 . 2 . . . . 3 ILE HG13 . 16320 1 9 . 1 1 3 3 ILE HG21 H 1 0.4 0.02 . 1 . . . . 3 ILE HG2 . 16320 1 10 . 1 1 3 3 ILE HG22 H 1 0.4 0.02 . 1 . . . . 3 ILE HG2 . 16320 1 11 . 1 1 3 3 ILE HG23 H 1 0.4 0.02 . 1 . . . . 3 ILE HG2 . 16320 1 12 . 1 1 3 3 ILE C C 13 175.2 0.2 . 1 . . . . 3 ILE C . 16320 1 13 . 1 1 3 3 ILE CA C 13 64.2 0.2 . 1 . . . . 3 ILE CA . 16320 1 14 . 1 1 3 3 ILE CB C 13 37.4 0.2 . 1 . . . . 3 ILE CB . 16320 1 15 . 1 1 3 3 ILE CD1 C 13 14 0.2 . 1 . . . . 3 ILE CD1 . 16320 1 16 . 1 1 3 3 ILE CG1 C 13 28 0.2 . 1 . . . . 3 ILE CG1 . 16320 1 17 . 1 1 3 3 ILE CG2 C 13 16.7 0.2 . 1 . . . . 3 ILE CG2 . 16320 1 18 . 1 1 3 3 ILE N N 15 124.9 0.2 . 1 . . . . 3 ILE N . 16320 1 19 . 1 1 4 4 LEU H H 1 7.27 0.02 . 1 . . . . 4 LEU H . 16320 1 20 . 1 1 4 4 LEU HA H 1 3.68 0.02 . 1 . . . . 4 LEU HA . 16320 1 21 . 1 1 4 4 LEU HB2 H 1 1.38 0.02 . 2 . . . . 4 LEU HB2 . 16320 1 22 . 1 1 4 4 LEU HB3 H 1 1.5 0.02 . 2 . . . . 4 LEU HB3 . 16320 1 23 . 1 1 4 4 LEU HD11 H 1 0.77 0.02 . 2 . . . . 4 LEU HD1 . 16320 1 24 . 1 1 4 4 LEU HD12 H 1 0.77 0.02 . 2 . . . . 4 LEU HD1 . 16320 1 25 . 1 1 4 4 LEU HD13 H 1 0.77 0.02 . 2 . . . . 4 LEU HD1 . 16320 1 26 . 1 1 4 4 LEU HD21 H 1 0.48 0.02 . 2 . . . . 4 LEU HD2 . 16320 1 27 . 1 1 4 4 LEU HD22 H 1 0.48 0.02 . 2 . . . . 4 LEU HD2 . 16320 1 28 . 1 1 4 4 LEU HD23 H 1 0.48 0.02 . 2 . . . . 4 LEU HD2 . 16320 1 29 . 1 1 4 4 LEU HG H 1 1.36 0.02 . 1 . . . . 4 LEU HG . 16320 1 30 . 1 1 4 4 LEU C C 13 177.3 0.2 . 1 . . . . 4 LEU C . 16320 1 31 . 1 1 4 4 LEU CA C 13 56.3 0.2 . 1 . . . . 4 LEU CA . 16320 1 32 . 1 1 4 4 LEU CB C 13 41.1 0.2 . 1 . . . . 4 LEU CB . 16320 1 33 . 1 1 4 4 LEU CD1 C 13 25.1 0.2 . 2 . . . . 4 LEU CD1 . 16320 1 34 . 1 1 4 4 LEU CD2 C 13 22.9 0.2 . 2 . . . . 4 LEU CD2 . 16320 1 35 . 1 1 4 4 LEU CG C 13 26.7 0.2 . 1 . . . . 4 LEU CG . 16320 1 36 . 1 1 4 4 LEU N N 15 116.1 0.2 . 1 . . . . 4 LEU N . 16320 1 37 . 1 1 5 5 GLU H H 1 7.35 0.02 . 1 . . . . 5 GLU H . 16320 1 38 . 1 1 5 5 GLU HA H 1 4.29 0.02 . 1 . . . . 5 GLU HA . 16320 1 39 . 1 1 5 5 GLU HB2 H 1 1.95 0.02 . 2 . . . . 5 GLU HB2 . 16320 1 40 . 1 1 5 5 GLU HB3 H 1 2.27 0.02 . 2 . . . . 5 GLU HB3 . 16320 1 41 . 1 1 5 5 GLU HG2 H 1 2.2 0.02 . 2 . . . . 5 GLU HG2 . 16320 1 42 . 1 1 5 5 GLU HG3 H 1 2.14 0.02 . 2 . . . . 5 GLU HG3 . 16320 1 43 . 1 1 5 5 GLU C C 13 176.3 0.2 . 1 . . . . 5 GLU C . 16320 1 44 . 1 1 5 5 GLU CA C 13 55.2 0.2 . 1 . . . . 5 GLU CA . 16320 1 45 . 1 1 5 5 GLU CB C 13 30 0.2 . 1 . . . . 5 GLU CB . 16320 1 46 . 1 1 5 5 GLU CG C 13 36.7 0.2 . 1 . . . . 5 GLU CG . 16320 1 47 . 1 1 5 5 GLU N N 15 114.2 0.2 . 1 . . . . 5 GLU N . 16320 1 48 . 1 1 6 6 ASP H H 1 7.86 0.02 . 1 . . . . 6 ASP H . 16320 1 49 . 1 1 6 6 ASP HA H 1 4.83 0.02 . 1 . . . . 6 ASP HA . 16320 1 50 . 1 1 6 6 ASP HB2 H 1 3.24 0.02 . 2 . . . . 6 ASP HB2 . 16320 1 51 . 1 1 6 6 ASP HB3 H 1 3.11 0.02 . 2 . . . . 6 ASP HB3 . 16320 1 52 . 1 1 6 6 ASP C C 13 175.5 0.2 . 1 . . . . 6 ASP C . 16320 1 53 . 1 1 6 6 ASP CA C 13 53 0.2 . 1 . . . . 6 ASP CA . 16320 1 54 . 1 1 6 6 ASP CB C 13 40.8 0.2 . 1 . . . . 6 ASP CB . 16320 1 55 . 1 1 6 6 ASP N N 15 125 0.2 . 1 . . . . 6 ASP N . 16320 1 56 . 1 1 7 7 PRO HA H 1 4.24 0.02 . 1 . . . . 7 PRO HA . 16320 1 57 . 1 1 7 7 PRO HB2 H 1 2.04 0.02 . 2 . . . . 7 PRO HB2 . 16320 1 58 . 1 1 7 7 PRO HB3 H 1 2.42 0.02 . 2 . . . . 7 PRO HB3 . 16320 1 59 . 1 1 7 7 PRO HD2 H 1 4.07 0.02 . 2 . . . . 7 PRO HD2 . 16320 1 60 . 1 1 7 7 PRO HD3 H 1 3.86 0.02 . 2 . . . . 7 PRO HD3 . 16320 1 61 . 1 1 7 7 PRO HG2 H 1 2.25 0.02 . 2 . . . . 7 PRO HG2 . 16320 1 62 . 1 1 7 7 PRO HG3 H 1 2.13 0.02 . 2 . . . . 7 PRO HG3 . 16320 1 63 . 1 1 7 7 PRO C C 13 179 0.2 . 1 . . . . 7 PRO C . 16320 1 64 . 1 1 7 7 PRO CA C 13 65.7 0.2 . 1 . . . . 7 PRO CA . 16320 1 65 . 1 1 7 7 PRO CB C 13 32.3 0.2 . 1 . . . . 7 PRO CB . 16320 1 66 . 1 1 7 7 PRO CD C 13 50.9 0.2 . 1 . . . . 7 PRO CD . 16320 1 67 . 1 1 7 7 PRO CG C 13 27.7 0.2 . 1 . . . . 7 PRO CG . 16320 1 68 . 1 1 8 8 GLU H H 1 9.25 0.02 . 1 . . . . 8 GLU H . 16320 1 69 . 1 1 8 8 GLU HA H 1 4.12 0.02 . 1 . . . . 8 GLU HA . 16320 1 70 . 1 1 8 8 GLU HB2 H 1 1.85 0.02 . 2 . . . . 8 GLU HB2 . 16320 1 71 . 1 1 8 8 GLU HB3 H 1 2.08 0.02 . 2 . . . . 8 GLU HB3 . 16320 1 72 . 1 1 8 8 GLU HG2 H 1 2.35 0.02 . 2 . . . . 8 GLU HG2 . 16320 1 73 . 1 1 8 8 GLU HG3 H 1 2.31 0.02 . 2 . . . . 8 GLU HG3 . 16320 1 74 . 1 1 8 8 GLU C C 13 178.1 0.2 . 1 . . . . 8 GLU C . 16320 1 75 . 1 1 8 8 GLU CA C 13 60 0.2 . 1 . . . . 8 GLU CA . 16320 1 76 . 1 1 8 8 GLU CB C 13 29.2 0.2 . 1 . . . . 8 GLU CB . 16320 1 77 . 1 1 8 8 GLU CG C 13 37.8 0.2 . 1 . . . . 8 GLU CG . 16320 1 78 . 1 1 8 8 GLU N N 15 117.6 0.2 . 1 . . . . 8 GLU N . 16320 1 79 . 1 1 9 9 PHE H H 1 7.64 0.02 . 1 . . . . 9 PHE H . 16320 1 80 . 1 1 9 9 PHE HA H 1 4.13 0.02 . 1 . . . . 9 PHE HA . 16320 1 81 . 1 1 9 9 PHE HB2 H 1 2.98 0.02 . 2 . . . . 9 PHE HB2 . 16320 1 82 . 1 1 9 9 PHE HB3 H 1 3.3 0.02 . 2 . . . . 9 PHE HB3 . 16320 1 83 . 1 1 9 9 PHE HD1 H 1 7.11 0.02 . 1 . . . . 9 PHE HD1 . 16320 1 84 . 1 1 9 9 PHE HD2 H 1 7.11 0.02 . 1 . . . . 9 PHE HD2 . 16320 1 85 . 1 1 9 9 PHE HE1 H 1 6.78 0.02 . 1 . . . . 9 PHE HE1 . 16320 1 86 . 1 1 9 9 PHE HE2 H 1 6.78 0.02 . 1 . . . . 9 PHE HE2 . 16320 1 87 . 1 1 9 9 PHE C C 13 178.6 0.2 . 1 . . . . 9 PHE C . 16320 1 88 . 1 1 9 9 PHE CA C 13 62.2 0.2 . 1 . . . . 9 PHE CA . 16320 1 89 . 1 1 9 9 PHE CB C 13 40.4 0.2 . 1 . . . . 9 PHE CB . 16320 1 90 . 1 1 9 9 PHE CD1 C 13 131.7 0.2 . 1 . . . . 9 PHE CD1 . 16320 1 91 . 1 1 9 9 PHE CD2 C 13 131.7 0.2 . 1 . . . . 9 PHE CD2 . 16320 1 92 . 1 1 9 9 PHE CE1 C 13 130 0.2 . 1 . . . . 9 PHE CE1 . 16320 1 93 . 1 1 9 9 PHE CE2 C 13 130 0.2 . 1 . . . . 9 PHE CE2 . 16320 1 94 . 1 1 9 9 PHE N N 15 118.2 0.2 . 1 . . . . 9 PHE N . 16320 1 95 . 1 1 10 10 VAL H H 1 8.22 0.02 . 1 . . . . 10 VAL H . 16320 1 96 . 1 1 10 10 VAL HA H 1 3.59 0.02 . 1 . . . . 10 VAL HA . 16320 1 97 . 1 1 10 10 VAL HB H 1 2.11 0.02 . 1 . . . . 10 VAL HB . 16320 1 98 . 1 1 10 10 VAL HG11 H 1 1.03 0.02 . 2 . . . . 10 VAL HG1 . 16320 1 99 . 1 1 10 10 VAL HG12 H 1 1.03 0.02 . 2 . . . . 10 VAL HG1 . 16320 1 100 . 1 1 10 10 VAL HG13 H 1 1.03 0.02 . 2 . . . . 10 VAL HG1 . 16320 1 101 . 1 1 10 10 VAL HG21 H 1 0.96 0.02 . 2 . . . . 10 VAL HG2 . 16320 1 102 . 1 1 10 10 VAL HG22 H 1 0.96 0.02 . 2 . . . . 10 VAL HG2 . 16320 1 103 . 1 1 10 10 VAL HG23 H 1 0.96 0.02 . 2 . . . . 10 VAL HG2 . 16320 1 104 . 1 1 10 10 VAL C C 13 179.4 0.2 . 1 . . . . 10 VAL C . 16320 1 105 . 1 1 10 10 VAL CA C 13 66.8 0.2 . 1 . . . . 10 VAL CA . 16320 1 106 . 1 1 10 10 VAL CB C 13 31.7 0.2 . 1 . . . . 10 VAL CB . 16320 1 107 . 1 1 10 10 VAL CG1 C 13 22.6 0.2 . 2 . . . . 10 VAL CG1 . 16320 1 108 . 1 1 10 10 VAL CG2 C 13 21.3 0.2 . 2 . . . . 10 VAL CG2 . 16320 1 109 . 1 1 10 10 VAL N N 15 120.3 0.2 . 1 . . . . 10 VAL N . 16320 1 110 . 1 1 11 11 LYS H H 1 7.76 0.02 . 1 . . . . 11 LYS H . 16320 1 111 . 1 1 11 11 LYS HA H 1 4.05 0.02 . 1 . . . . 11 LYS HA . 16320 1 112 . 1 1 11 11 LYS HB2 H 1 2.02 0.02 . 2 . . . . 11 LYS HB2 . 16320 1 113 . 1 1 11 11 LYS HB3 H 1 1.91 0.02 . 2 . . . . 11 LYS HB3 . 16320 1 114 . 1 1 11 11 LYS HD2 H 1 1.75 0.02 . 1 . . . . 11 LYS HD2 . 16320 1 115 . 1 1 11 11 LYS HD3 H 1 1.75 0.02 . 1 . . . . 11 LYS HD3 . 16320 1 116 . 1 1 11 11 LYS HE2 H 1 2.97 0.02 . 1 . . . . 11 LYS HE2 . 16320 1 117 . 1 1 11 11 LYS HE3 H 1 2.97 0.02 . 1 . . . . 11 LYS HE3 . 16320 1 118 . 1 1 11 11 LYS HG2 H 1 1.67 0.02 . 2 . . . . 11 LYS HG2 . 16320 1 119 . 1 1 11 11 LYS HG3 H 1 1.5 0.02 . 2 . . . . 11 LYS HG3 . 16320 1 120 . 1 1 11 11 LYS C C 13 179 0.2 . 1 . . . . 11 LYS C . 16320 1 121 . 1 1 11 11 LYS CA C 13 59.3 0.2 . 1 . . . . 11 LYS CA . 16320 1 122 . 1 1 11 11 LYS CB C 13 32.6 0.2 . 1 . . . . 11 LYS CB . 16320 1 123 . 1 1 11 11 LYS CD C 13 29.5 0.2 . 1 . . . . 11 LYS CD . 16320 1 124 . 1 1 11 11 LYS CE C 13 42.1 0.2 . 1 . . . . 11 LYS CE . 16320 1 125 . 1 1 11 11 LYS CG C 13 25.8 0.2 . 1 . . . . 11 LYS CG . 16320 1 126 . 1 1 11 11 LYS N N 15 119.6 0.2 . 1 . . . . 11 LYS N . 16320 1 127 . 1 1 12 12 LEU H H 1 7.75 0.02 . 1 . . . . 12 LEU H . 16320 1 128 . 1 1 12 12 LEU HA H 1 4.19 0.02 . 1 . . . . 12 LEU HA . 16320 1 129 . 1 1 12 12 LEU HB2 H 1 1.72 0.02 . 2 . . . . 12 LEU HB2 . 16320 1 130 . 1 1 12 12 LEU HB3 H 1 1.78 0.02 . 2 . . . . 12 LEU HB3 . 16320 1 131 . 1 1 12 12 LEU HD11 H 1 0.7 0.02 . 2 . . . . 12 LEU HD1 . 16320 1 132 . 1 1 12 12 LEU HD12 H 1 0.7 0.02 . 2 . . . . 12 LEU HD1 . 16320 1 133 . 1 1 12 12 LEU HD13 H 1 0.7 0.02 . 2 . . . . 12 LEU HD1 . 16320 1 134 . 1 1 12 12 LEU HD21 H 1 0.92 0.02 . 2 . . . . 12 LEU HD2 . 16320 1 135 . 1 1 12 12 LEU HD22 H 1 0.92 0.02 . 2 . . . . 12 LEU HD2 . 16320 1 136 . 1 1 12 12 LEU HD23 H 1 0.92 0.02 . 2 . . . . 12 LEU HD2 . 16320 1 137 . 1 1 12 12 LEU HG H 1 1.73 0.02 . 1 . . . . 12 LEU HG . 16320 1 138 . 1 1 12 12 LEU C C 13 178.4 0.2 . 1 . . . . 12 LEU C . 16320 1 139 . 1 1 12 12 LEU CA C 13 57.8 0.2 . 1 . . . . 12 LEU CA . 16320 1 140 . 1 1 12 12 LEU CB C 13 41.9 0.2 . 1 . . . . 12 LEU CB . 16320 1 141 . 1 1 12 12 LEU CD1 C 13 25.4 0.2 . 2 . . . . 12 LEU CD1 . 16320 1 142 . 1 1 12 12 LEU CD2 C 13 24.3 0.2 . 2 . . . . 12 LEU CD2 . 16320 1 143 . 1 1 12 12 LEU CG C 13 27.1 0.2 . 1 . . . . 12 LEU CG . 16320 1 144 . 1 1 12 12 LEU N N 15 119.9 0.2 . 1 . . . . 12 LEU N . 16320 1 145 . 1 1 13 13 ARG H H 1 7.6 0.02 . 1 . . . . 13 ARG H . 16320 1 146 . 1 1 13 13 ARG HA H 1 3.94 0.02 . 1 . . . . 13 ARG HA . 16320 1 147 . 1 1 13 13 ARG HB2 H 1 2 0.02 . 1 . . . . 13 ARG HB2 . 16320 1 148 . 1 1 13 13 ARG HB3 H 1 2 0.02 . 1 . . . . 13 ARG HB3 . 16320 1 149 . 1 1 13 13 ARG HD2 H 1 3.29 0.02 . 1 . . . . 13 ARG HD2 . 16320 1 150 . 1 1 13 13 ARG HD3 H 1 3.29 0.02 . 1 . . . . 13 ARG HD3 . 16320 1 151 . 1 1 13 13 ARG HG2 H 1 1.78 0.02 . 1 . . . . 13 ARG HG2 . 16320 1 152 . 1 1 13 13 ARG HG3 H 1 1.78 0.02 . 1 . . . . 13 ARG HG3 . 16320 1 153 . 1 1 13 13 ARG C C 13 178.6 0.2 . 1 . . . . 13 ARG C . 16320 1 154 . 1 1 13 13 ARG CA C 13 59 0.2 . 1 . . . . 13 ARG CA . 16320 1 155 . 1 1 13 13 ARG CB C 13 30.2 0.2 . 1 . . . . 13 ARG CB . 16320 1 156 . 1 1 13 13 ARG CD C 13 44 0.2 . 1 . . . . 13 ARG CD . 16320 1 157 . 1 1 13 13 ARG CG C 13 27.7 0.2 . 1 . . . . 13 ARG CG . 16320 1 158 . 1 1 13 13 ARG N N 15 115.3 0.2 . 1 . . . . 13 ARG N . 16320 1 159 . 1 1 14 14 GLN H H 1 7.77 0.02 . 1 . . . . 14 GLN H . 16320 1 160 . 1 1 14 14 GLN HA H 1 4.13 0.02 . 1 . . . . 14 GLN HA . 16320 1 161 . 1 1 14 14 GLN HB2 H 1 1.93 0.02 . 1 . . . . 14 GLN HB2 . 16320 1 162 . 1 1 14 14 GLN HB3 H 1 1.93 0.02 . 1 . . . . 14 GLN HB3 . 16320 1 163 . 1 1 14 14 GLN HE21 H 1 7.3 0.02 . 1 . . . . 14 GLN HE21 . 16320 1 164 . 1 1 14 14 GLN HE22 H 1 6.88 0.02 . 1 . . . . 14 GLN HE22 . 16320 1 165 . 1 1 14 14 GLN HG2 H 1 2.34 0.02 . 2 . . . . 14 GLN HG2 . 16320 1 166 . 1 1 14 14 GLN HG3 H 1 2.11 0.02 . 2 . . . . 14 GLN HG3 . 16320 1 167 . 1 1 14 14 GLN C C 13 176.5 0.2 . 1 . . . . 14 GLN C . 16320 1 168 . 1 1 14 14 GLN CA C 13 57.1 0.2 . 1 . . . . 14 GLN CA . 16320 1 169 . 1 1 14 14 GLN CB C 13 28.2 0.2 . 1 . . . . 14 GLN CB . 16320 1 170 . 1 1 14 14 GLN CG C 13 33.9 0.2 . 1 . . . . 14 GLN CG . 16320 1 171 . 1 1 14 14 GLN N N 15 116.4 0.2 . 1 . . . . 14 GLN N . 16320 1 172 . 1 1 14 14 GLN NE2 N 15 111.3 0.2 . 1 . . . . 14 GLN NE2 . 16320 1 173 . 1 1 15 15 PHE H H 1 8.03 0.02 . 1 . . . . 15 PHE H . 16320 1 174 . 1 1 15 15 PHE HA H 1 4.22 0.02 . 1 . . . . 15 PHE HA . 16320 1 175 . 1 1 15 15 PHE HB2 H 1 3 0.02 . 2 . . . . 15 PHE HB2 . 16320 1 176 . 1 1 15 15 PHE HB3 H 1 3.12 0.02 . 2 . . . . 15 PHE HB3 . 16320 1 177 . 1 1 15 15 PHE HD1 H 1 7.31 0.02 . 1 . . . . 15 PHE HD1 . 16320 1 178 . 1 1 15 15 PHE HD2 H 1 7.31 0.02 . 1 . . . . 15 PHE HD2 . 16320 1 179 . 1 1 15 15 PHE HE1 H 1 7.33 0.02 . 1 . . . . 15 PHE HE1 . 16320 1 180 . 1 1 15 15 PHE HE2 H 1 7.33 0.02 . 1 . . . . 15 PHE HE2 . 16320 1 181 . 1 1 15 15 PHE C C 13 175.2 0.2 . 1 . . . . 15 PHE C . 16320 1 182 . 1 1 15 15 PHE CA C 13 59.1 0.2 . 1 . . . . 15 PHE CA . 16320 1 183 . 1 1 15 15 PHE CB C 13 38.8 0.2 . 1 . . . . 15 PHE CB . 16320 1 184 . 1 1 15 15 PHE CD1 C 13 132.4 0.2 . 1 . . . . 15 PHE CD1 . 16320 1 185 . 1 1 15 15 PHE CD2 C 13 132.4 0.2 . 1 . . . . 15 PHE CD2 . 16320 1 186 . 1 1 15 15 PHE CE1 C 13 131.9 0.2 . 1 . . . . 15 PHE CE1 . 16320 1 187 . 1 1 15 15 PHE CE2 C 13 131.9 0.2 . 1 . . . . 15 PHE CE2 . 16320 1 188 . 1 1 15 15 PHE N N 15 116.8 0.2 . 1 . . . . 15 PHE N . 16320 1 189 . 1 1 16 16 LYS H H 1 7.47 0.02 . 1 . . . . 16 LYS H . 16320 1 190 . 1 1 16 16 LYS HA H 1 4.19 0.02 . 1 . . . . 16 LYS HA . 16320 1 191 . 1 1 16 16 LYS CA C 13 58.4 0.2 . 1 . . . . 16 LYS CA . 16320 1 192 . 1 1 16 16 LYS CB C 13 33.3 0.2 . 1 . . . . 16 LYS CB . 16320 1 193 . 1 1 16 16 LYS N N 15 122.5 0.2 . 1 . . . . 16 LYS N . 16320 1 194 . 1 1 17 17 GLY HA2 H 1 3.92 0.02 . 2 . . . . 17 GLY HA2 . 16320 1 195 . 1 1 17 17 GLY HA3 H 1 4.21 0.02 . 2 . . . . 17 GLY HA3 . 16320 1 196 . 1 1 17 17 GLY C C 13 174.3 0.2 . 1 . . . . 17 GLY C . 16320 1 197 . 1 1 17 17 GLY CA C 13 46.2 0.2 . 1 . . . . 17 GLY CA . 16320 1 198 . 1 1 18 18 LYS H H 1 8.23 0.02 . 1 . . . . 18 LYS H . 16320 1 199 . 1 1 18 18 LYS HA H 1 4.55 0.02 . 1 . . . . 18 LYS HA . 16320 1 200 . 1 1 18 18 LYS HB2 H 1 1.68 0.02 . 2 . . . . 18 LYS HB2 . 16320 1 201 . 1 1 18 18 LYS HB3 H 1 2.1 0.02 . 2 . . . . 18 LYS HB3 . 16320 1 202 . 1 1 18 18 LYS HD2 H 1 1.66 0.02 . 2 . . . . 18 LYS HD2 . 16320 1 203 . 1 1 18 18 LYS HD3 H 1 1.59 0.02 . 2 . . . . 18 LYS HD3 . 16320 1 204 . 1 1 18 18 LYS HE2 H 1 2.98 0.02 . 1 . . . . 18 LYS HE2 . 16320 1 205 . 1 1 18 18 LYS HE3 H 1 2.98 0.02 . 1 . . . . 18 LYS HE3 . 16320 1 206 . 1 1 18 18 LYS HG2 H 1 1.37 0.02 . 2 . . . . 18 LYS HG2 . 16320 1 207 . 1 1 18 18 LYS HG3 H 1 1.29 0.02 . 2 . . . . 18 LYS HG3 . 16320 1 208 . 1 1 18 18 LYS C C 13 175.8 0.2 . 1 . . . . 18 LYS C . 16320 1 209 . 1 1 18 18 LYS CA C 13 56.1 0.2 . 1 . . . . 18 LYS CA . 16320 1 210 . 1 1 18 18 LYS CB C 13 33.7 0.2 . 1 . . . . 18 LYS CB . 16320 1 211 . 1 1 18 18 LYS CD C 13 29.1 0.2 . 1 . . . . 18 LYS CD . 16320 1 212 . 1 1 18 18 LYS CE C 13 42.4 0.2 . 1 . . . . 18 LYS CE . 16320 1 213 . 1 1 18 18 LYS CG C 13 24.9 0.2 . 1 . . . . 18 LYS CG . 16320 1 214 . 1 1 18 18 LYS N N 15 118.1 0.2 . 1 . . . . 18 LYS N . 16320 1 215 . 1 1 19 19 VAL H H 1 7.15 0.02 . 1 . . . . 19 VAL H . 16320 1 216 . 1 1 19 19 VAL HA H 1 4.4 0.02 . 1 . . . . 19 VAL HA . 16320 1 217 . 1 1 19 19 VAL HB H 1 1.53 0.02 . 1 . . . . 19 VAL HB . 16320 1 218 . 1 1 19 19 VAL HG11 H 1 0.03 0.02 . 2 . . . . 19 VAL HG1 . 16320 1 219 . 1 1 19 19 VAL HG12 H 1 0.03 0.02 . 2 . . . . 19 VAL HG1 . 16320 1 220 . 1 1 19 19 VAL HG13 H 1 0.03 0.02 . 2 . . . . 19 VAL HG1 . 16320 1 221 . 1 1 19 19 VAL HG21 H 1 0.34 0.02 . 2 . . . . 19 VAL HG2 . 16320 1 222 . 1 1 19 19 VAL HG22 H 1 0.34 0.02 . 2 . . . . 19 VAL HG2 . 16320 1 223 . 1 1 19 19 VAL HG23 H 1 0.34 0.02 . 2 . . . . 19 VAL HG2 . 16320 1 224 . 1 1 19 19 VAL CA C 13 58.8 0.2 . 1 . . . . 19 VAL CA . 16320 1 225 . 1 1 19 19 VAL CB C 13 34.3 0.2 . 1 . . . . 19 VAL CB . 16320 1 226 . 1 1 19 19 VAL CG1 C 13 20.4 0.2 . 2 . . . . 19 VAL CG1 . 16320 1 227 . 1 1 19 19 VAL CG2 C 13 17.9 0.2 . 2 . . . . 19 VAL CG2 . 16320 1 228 . 1 1 19 19 VAL N N 15 111.1 0.2 . 1 . . . . 19 VAL N . 16320 1 229 . 1 1 20 20 ASN HA H 1 4.66 0.02 . 1 . . . . 20 ASN HA . 16320 1 230 . 1 1 20 20 ASN HB2 H 1 2.81 0.02 . 2 . . . . 20 ASN HB2 . 16320 1 231 . 1 1 20 20 ASN HB3 H 1 3.05 0.02 . 2 . . . . 20 ASN HB3 . 16320 1 232 . 1 1 20 20 ASN HD21 H 1 7.01 0.02 . 2 . . . . 20 ASN HD21 . 16320 1 233 . 1 1 20 20 ASN HD22 H 1 7.83 0.02 . 2 . . . . 20 ASN HD22 . 16320 1 234 . 1 1 20 20 ASN C C 13 174.6 0.2 . 1 . . . . 20 ASN C . 16320 1 235 . 1 1 20 20 ASN CA C 13 52.7 0.2 . 1 . . . . 20 ASN CA . 16320 1 236 . 1 1 20 20 ASN CB C 13 37.9 0.2 . 1 . . . . 20 ASN CB . 16320 1 237 . 1 1 20 20 ASN ND2 N 15 112.6 0.2 . 1 . . . . 20 ASN ND2 . 16320 1 238 . 1 1 21 21 PHE H H 1 8.58 0.02 . 1 . . . . 21 PHE H . 16320 1 239 . 1 1 21 21 PHE HA H 1 3.73 0.02 . 1 . . . . 21 PHE HA . 16320 1 240 . 1 1 21 21 PHE HB2 H 1 3.21 0.02 . 2 . . . . 21 PHE HB2 . 16320 1 241 . 1 1 21 21 PHE HB3 H 1 3 0.02 . 2 . . . . 21 PHE HB3 . 16320 1 242 . 1 1 21 21 PHE HD1 H 1 7.08 0.02 . 1 . . . . 21 PHE HD1 . 16320 1 243 . 1 1 21 21 PHE HD2 H 1 7.08 0.02 . 1 . . . . 21 PHE HD2 . 16320 1 244 . 1 1 21 21 PHE HE1 H 1 7.46 0.02 . 1 . . . . 21 PHE HE1 . 16320 1 245 . 1 1 21 21 PHE HE2 H 1 7.46 0.02 . 1 . . . . 21 PHE HE2 . 16320 1 246 . 1 1 21 21 PHE HZ H 1 7.29 0.02 . 1 . . . . 21 PHE HZ . 16320 1 247 . 1 1 21 21 PHE C C 13 175.3 0.2 . 1 . . . . 21 PHE C . 16320 1 248 . 1 1 21 21 PHE CA C 13 62.5 0.2 . 1 . . . . 21 PHE CA . 16320 1 249 . 1 1 21 21 PHE CB C 13 40.4 0.2 . 1 . . . . 21 PHE CB . 16320 1 250 . 1 1 21 21 PHE CD1 C 13 131.7 0.2 . 1 . . . . 21 PHE CD1 . 16320 1 251 . 1 1 21 21 PHE CD2 C 13 131.7 0.2 . 1 . . . . 21 PHE CD2 . 16320 1 252 . 1 1 21 21 PHE CE1 C 13 131.7 0.2 . 1 . . . . 21 PHE CE1 . 16320 1 253 . 1 1 21 21 PHE CE2 C 13 131.7 0.2 . 1 . . . . 21 PHE CE2 . 16320 1 254 . 1 1 21 21 PHE CZ C 13 129.9 0.2 . 1 . . . . 21 PHE CZ . 16320 1 255 . 1 1 21 21 PHE N N 15 128.2 0.2 . 1 . . . . 21 PHE N . 16320 1 256 . 1 1 22 22 ASN H H 1 8.22 0.02 . 1 . . . . 22 ASN H . 16320 1 257 . 1 1 22 22 ASN HA H 1 4.3 0.02 . 1 . . . . 22 ASN HA . 16320 1 258 . 1 1 22 22 ASN HB2 H 1 2.77 0.02 . 2 . . . . 22 ASN HB2 . 16320 1 259 . 1 1 22 22 ASN HB3 H 1 2.89 0.02 . 2 . . . . 22 ASN HB3 . 16320 1 260 . 1 1 22 22 ASN HD21 H 1 7.65 0.02 . 2 . . . . 22 ASN HD21 . 16320 1 261 . 1 1 22 22 ASN HD22 H 1 6.97 0.02 . 2 . . . . 22 ASN HD22 . 16320 1 262 . 1 1 22 22 ASN C C 13 177.8 0.2 . 1 . . . . 22 ASN C . 16320 1 263 . 1 1 22 22 ASN CA C 13 56.4 0.2 . 1 . . . . 22 ASN CA . 16320 1 264 . 1 1 22 22 ASN CB C 13 37.9 0.2 . 1 . . . . 22 ASN CB . 16320 1 265 . 1 1 22 22 ASN N N 15 114.6 0.2 . 1 . . . . 22 ASN N . 16320 1 266 . 1 1 22 22 ASN ND2 N 15 112 0.2 . 1 . . . . 22 ASN ND2 . 16320 1 267 . 1 1 23 23 LEU H H 1 7.44 0.02 . 1 . . . . 23 LEU H . 16320 1 268 . 1 1 23 23 LEU HA H 1 4.19 0.02 . 1 . . . . 23 LEU HA . 16320 1 269 . 1 1 23 23 LEU HB2 H 1 1.48 0.02 . 2 . . . . 23 LEU HB2 . 16320 1 270 . 1 1 23 23 LEU HB3 H 1 1.68 0.02 . 2 . . . . 23 LEU HB3 . 16320 1 271 . 1 1 23 23 LEU HD11 H 1 0.85 0.02 . 2 . . . . 23 LEU HD1 . 16320 1 272 . 1 1 23 23 LEU HD12 H 1 0.85 0.02 . 2 . . . . 23 LEU HD1 . 16320 1 273 . 1 1 23 23 LEU HD13 H 1 0.85 0.02 . 2 . . . . 23 LEU HD1 . 16320 1 274 . 1 1 23 23 LEU HD21 H 1 0.81 0.02 . 2 . . . . 23 LEU HD2 . 16320 1 275 . 1 1 23 23 LEU HD22 H 1 0.81 0.02 . 2 . . . . 23 LEU HD2 . 16320 1 276 . 1 1 23 23 LEU HD23 H 1 0.81 0.02 . 2 . . . . 23 LEU HD2 . 16320 1 277 . 1 1 23 23 LEU HG H 1 1.51 0.02 . 1 . . . . 23 LEU HG . 16320 1 278 . 1 1 23 23 LEU C C 13 177.8 0.2 . 1 . . . . 23 LEU C . 16320 1 279 . 1 1 23 23 LEU CA C 13 56.9 0.2 . 1 . . . . 23 LEU CA . 16320 1 280 . 1 1 23 23 LEU CB C 13 41.4 0.2 . 1 . . . . 23 LEU CB . 16320 1 281 . 1 1 23 23 LEU CD1 C 13 25 0.2 . 2 . . . . 23 LEU CD1 . 16320 1 282 . 1 1 23 23 LEU CD2 C 13 23.2 0.2 . 2 . . . . 23 LEU CD2 . 16320 1 283 . 1 1 23 23 LEU CG C 13 27.1 0.2 . 1 . . . . 23 LEU CG . 16320 1 284 . 1 1 23 23 LEU N N 15 122.5 0.2 . 1 . . . . 23 LEU N . 16320 1 285 . 1 1 24 24 VAL H H 1 7.93 0.02 . 1 . . . . 24 VAL H . 16320 1 286 . 1 1 24 24 VAL HA H 1 3.56 0.02 . 1 . . . . 24 VAL HA . 16320 1 287 . 1 1 24 24 VAL HB H 1 1.83 0.02 . 1 . . . . 24 VAL HB . 16320 1 288 . 1 1 24 24 VAL HG11 H 1 0.84 0.02 . 2 . . . . 24 VAL HG1 . 16320 1 289 . 1 1 24 24 VAL HG12 H 1 0.84 0.02 . 2 . . . . 24 VAL HG1 . 16320 1 290 . 1 1 24 24 VAL HG13 H 1 0.84 0.02 . 2 . . . . 24 VAL HG1 . 16320 1 291 . 1 1 24 24 VAL HG21 H 1 1 0.02 . 2 . . . . 24 VAL HG2 . 16320 1 292 . 1 1 24 24 VAL HG22 H 1 1 0.02 . 2 . . . . 24 VAL HG2 . 16320 1 293 . 1 1 24 24 VAL HG23 H 1 1 0.02 . 2 . . . . 24 VAL HG2 . 16320 1 294 . 1 1 24 24 VAL C C 13 177.5 0.2 . 1 . . . . 24 VAL C . 16320 1 295 . 1 1 24 24 VAL CA C 13 67.2 0.2 . 1 . . . . 24 VAL CA . 16320 1 296 . 1 1 24 24 VAL CB C 13 31 0.2 . 1 . . . . 24 VAL CB . 16320 1 297 . 1 1 24 24 VAL CG1 C 13 21.3 0.2 . 2 . . . . 24 VAL CG1 . 16320 1 298 . 1 1 24 24 VAL CG2 C 13 22.5 0.2 . 2 . . . . 24 VAL CG2 . 16320 1 299 . 1 1 24 24 VAL N N 15 119.4 0.2 . 1 . . . . 24 VAL N . 16320 1 300 . 1 1 25 25 MET H H 1 8.02 0.02 . 1 . . . . 25 MET H . 16320 1 301 . 1 1 25 25 MET HA H 1 3.64 0.02 . 1 . . . . 25 MET HA . 16320 1 302 . 1 1 25 25 MET HB2 H 1 1.67 0.02 . 2 . . . . 25 MET HB2 . 16320 1 303 . 1 1 25 25 MET HB3 H 1 2.03 0.02 . 2 . . . . 25 MET HB3 . 16320 1 304 . 1 1 25 25 MET HE1 H 1 2.13 0.02 . 1 . . . . 25 MET HE . 16320 1 305 . 1 1 25 25 MET HE2 H 1 2.13 0.02 . 1 . . . . 25 MET HE . 16320 1 306 . 1 1 25 25 MET HE3 H 1 2.13 0.02 . 1 . . . . 25 MET HE . 16320 1 307 . 1 1 25 25 MET HG2 H 1 2.36 0.02 . 1 . . . . 25 MET HG2 . 16320 1 308 . 1 1 25 25 MET HG3 H 1 2.36 0.02 . 1 . . . . 25 MET HG3 . 16320 1 309 . 1 1 25 25 MET C C 13 176.8 0.2 . 1 . . . . 25 MET C . 16320 1 310 . 1 1 25 25 MET CA C 13 60 0.2 . 1 . . . . 25 MET CA . 16320 1 311 . 1 1 25 25 MET CB C 13 32.9 0.2 . 1 . . . . 25 MET CB . 16320 1 312 . 1 1 25 25 MET CE C 13 16.9 0.2 . 1 . . . . 25 MET CE . 16320 1 313 . 1 1 25 25 MET CG C 13 30.9 0.2 . 1 . . . . 25 MET CG . 16320 1 314 . 1 1 25 25 MET N N 15 116.6 0.2 . 1 . . . . 25 MET N . 16320 1 315 . 1 1 26 26 GLN H H 1 7.53 0.02 . 1 . . . . 26 GLN H . 16320 1 316 . 1 1 26 26 GLN HA H 1 4.05 0.02 . 1 . . . . 26 GLN HA . 16320 1 317 . 1 1 26 26 GLN HB2 H 1 2.15 0.02 . 1 . . . . 26 GLN HB2 . 16320 1 318 . 1 1 26 26 GLN HB3 H 1 2.15 0.02 . 1 . . . . 26 GLN HB3 . 16320 1 319 . 1 1 26 26 GLN HE21 H 1 7.8 0.02 . 1 . . . . 26 GLN HE21 . 16320 1 320 . 1 1 26 26 GLN HE22 H 1 6.74 0.02 . 1 . . . . 26 GLN HE22 . 16320 1 321 . 1 1 26 26 GLN HG2 H 1 2.22 0.02 . 2 . . . . 26 GLN HG2 . 16320 1 322 . 1 1 26 26 GLN HG3 H 1 2.52 0.02 . 2 . . . . 26 GLN HG3 . 16320 1 323 . 1 1 26 26 GLN C C 13 177.8 0.2 . 1 . . . . 26 GLN C . 16320 1 324 . 1 1 26 26 GLN CA C 13 59.1 0.2 . 1 . . . . 26 GLN CA . 16320 1 325 . 1 1 26 26 GLN CB C 13 28.1 0.2 . 1 . . . . 26 GLN CB . 16320 1 326 . 1 1 26 26 GLN CG C 13 33 0.2 . 1 . . . . 26 GLN CG . 16320 1 327 . 1 1 26 26 GLN N N 15 118.2 0.2 . 1 . . . . 26 GLN N . 16320 1 328 . 1 1 26 26 GLN NE2 N 15 110.5 0.2 . 1 . . . . 26 GLN NE2 . 16320 1 329 . 1 1 27 27 ILE H H 1 8.23 0.02 . 1 . . . . 27 ILE H . 16320 1 330 . 1 1 27 27 ILE HA H 1 3.35 0.02 . 1 . . . . 27 ILE HA . 16320 1 331 . 1 1 27 27 ILE HB H 1 1.94 0.02 . 1 . . . . 27 ILE HB . 16320 1 332 . 1 1 27 27 ILE HD11 H 1 0.34 0.02 . 1 . . . . 27 ILE HD1 . 16320 1 333 . 1 1 27 27 ILE HD12 H 1 0.34 0.02 . 1 . . . . 27 ILE HD1 . 16320 1 334 . 1 1 27 27 ILE HD13 H 1 0.34 0.02 . 1 . . . . 27 ILE HD1 . 16320 1 335 . 1 1 27 27 ILE HG12 H 1 0.04 0.02 . 2 . . . . 27 ILE HG12 . 16320 1 336 . 1 1 27 27 ILE HG13 H 1 1.2 0.02 . 2 . . . . 27 ILE HG13 . 16320 1 337 . 1 1 27 27 ILE HG21 H 1 0.9 0.02 . 1 . . . . 27 ILE HG2 . 16320 1 338 . 1 1 27 27 ILE HG22 H 1 0.9 0.02 . 1 . . . . 27 ILE HG2 . 16320 1 339 . 1 1 27 27 ILE HG23 H 1 0.9 0.02 . 1 . . . . 27 ILE HG2 . 16320 1 340 . 1 1 27 27 ILE C C 13 177.7 0.2 . 1 . . . . 27 ILE C . 16320 1 341 . 1 1 27 27 ILE CA C 13 65.9 0.2 . 1 . . . . 27 ILE CA . 16320 1 342 . 1 1 27 27 ILE CB C 13 37.9 0.2 . 1 . . . . 27 ILE CB . 16320 1 343 . 1 1 27 27 ILE CD1 C 13 13.1 0.2 . 1 . . . . 27 ILE CD1 . 16320 1 344 . 1 1 27 27 ILE CG1 C 13 30.3 0.2 . 1 . . . . 27 ILE CG1 . 16320 1 345 . 1 1 27 27 ILE CG2 C 13 16.1 0.2 . 1 . . . . 27 ILE CG2 . 16320 1 346 . 1 1 27 27 ILE N N 15 120.7 0.2 . 1 . . . . 27 ILE N . 16320 1 347 . 1 1 28 28 LEU H H 1 8.55 0.02 . 1 . . . . 28 LEU H . 16320 1 348 . 1 1 28 28 LEU HA H 1 4.02 0.02 . 1 . . . . 28 LEU HA . 16320 1 349 . 1 1 28 28 LEU HB2 H 1 1.41 0.02 . 2 . . . . 28 LEU HB2 . 16320 1 350 . 1 1 28 28 LEU HB3 H 1 1.83 0.02 . 2 . . . . 28 LEU HB3 . 16320 1 351 . 1 1 28 28 LEU HD11 H 1 0.85 0.02 . 2 . . . . 28 LEU HD1 . 16320 1 352 . 1 1 28 28 LEU HD12 H 1 0.85 0.02 . 2 . . . . 28 LEU HD1 . 16320 1 353 . 1 1 28 28 LEU HD13 H 1 0.85 0.02 . 2 . . . . 28 LEU HD1 . 16320 1 354 . 1 1 28 28 LEU HD21 H 1 0.74 0.02 . 2 . . . . 28 LEU HD2 . 16320 1 355 . 1 1 28 28 LEU HD22 H 1 0.74 0.02 . 2 . . . . 28 LEU HD2 . 16320 1 356 . 1 1 28 28 LEU HD23 H 1 0.74 0.02 . 2 . . . . 28 LEU HD2 . 16320 1 357 . 1 1 28 28 LEU HG H 1 1.99 0.02 . 1 . . . . 28 LEU HG . 16320 1 358 . 1 1 28 28 LEU C C 13 179.9 0.2 . 1 . . . . 28 LEU C . 16320 1 359 . 1 1 28 28 LEU CA C 13 58.4 0.2 . 1 . . . . 28 LEU CA . 16320 1 360 . 1 1 28 28 LEU CB C 13 39.7 0.2 . 1 . . . . 28 LEU CB . 16320 1 361 . 1 1 28 28 LEU CD1 C 13 21.3 0.2 . 2 . . . . 28 LEU CD1 . 16320 1 362 . 1 1 28 28 LEU CD2 C 13 25.9 0.2 . 2 . . . . 28 LEU CD2 . 16320 1 363 . 1 1 28 28 LEU CG C 13 26 0.2 . 1 . . . . 28 LEU CG . 16320 1 364 . 1 1 28 28 LEU N N 15 118.9 0.2 . 1 . . . . 28 LEU N . 16320 1 365 . 1 1 29 29 ASP H H 1 8.47 0.02 . 1 . . . . 29 ASP H . 16320 1 366 . 1 1 29 29 ASP HA H 1 4.44 0.02 . 1 . . . . 29 ASP HA . 16320 1 367 . 1 1 29 29 ASP HB2 H 1 2.65 0.02 . 2 . . . . 29 ASP HB2 . 16320 1 368 . 1 1 29 29 ASP HB3 H 1 2.95 0.02 . 2 . . . . 29 ASP HB3 . 16320 1 369 . 1 1 29 29 ASP C C 13 179.6 0.2 . 1 . . . . 29 ASP C . 16320 1 370 . 1 1 29 29 ASP CA C 13 57.4 0.2 . 1 . . . . 29 ASP CA . 16320 1 371 . 1 1 29 29 ASP CB C 13 40.4 0.2 . 1 . . . . 29 ASP CB . 16320 1 372 . 1 1 29 29 ASP N N 15 120.7 0.2 . 1 . . . . 29 ASP N . 16320 1 373 . 1 1 30 30 GLU H H 1 8.63 0.02 . 1 . . . . 30 GLU H . 16320 1 374 . 1 1 30 30 GLU HA H 1 3.98 0.02 . 1 . . . . 30 GLU HA . 16320 1 375 . 1 1 30 30 GLU HB2 H 1 2.48 0.02 . 2 . . . . 30 GLU HB2 . 16320 1 376 . 1 1 30 30 GLU HB3 H 1 2.08 0.02 . 2 . . . . 30 GLU HB3 . 16320 1 377 . 1 1 30 30 GLU HG2 H 1 2.83 0.02 . 1 . . . . 30 GLU HG2 . 16320 1 378 . 1 1 30 30 GLU HG3 H 1 2.83 0.02 . 1 . . . . 30 GLU HG3 . 16320 1 379 . 1 1 30 30 GLU C C 13 180.6 0.2 . 1 . . . . 30 GLU C . 16320 1 380 . 1 1 30 30 GLU CA C 13 60 0.2 . 1 . . . . 30 GLU CA . 16320 1 381 . 1 1 30 30 GLU CB C 13 29.9 0.2 . 1 . . . . 30 GLU CB . 16320 1 382 . 1 1 30 30 GLU CG C 13 37.4 0.2 . 1 . . . . 30 GLU CG . 16320 1 383 . 1 1 30 30 GLU N N 15 120.8 0.2 . 1 . . . . 30 GLU N . 16320 1 384 . 1 1 31 31 ILE H H 1 8.52 0.02 . 1 . . . . 31 ILE H . 16320 1 385 . 1 1 31 31 ILE HA H 1 3.54 0.02 . 1 . . . . 31 ILE HA . 16320 1 386 . 1 1 31 31 ILE HB H 1 2.05 0.02 . 1 . . . . 31 ILE HB . 16320 1 387 . 1 1 31 31 ILE HD11 H 1 0.83 0.02 . 1 . . . . 31 ILE HD1 . 16320 1 388 . 1 1 31 31 ILE HD12 H 1 0.83 0.02 . 1 . . . . 31 ILE HD1 . 16320 1 389 . 1 1 31 31 ILE HD13 H 1 0.83 0.02 . 1 . . . . 31 ILE HD1 . 16320 1 390 . 1 1 31 31 ILE HG12 H 1 0.77 0.02 . 2 . . . . 31 ILE HG12 . 16320 1 391 . 1 1 31 31 ILE HG13 H 1 2.09 0.02 . 2 . . . . 31 ILE HG13 . 16320 1 392 . 1 1 31 31 ILE HG21 H 1 0.71 0.02 . 1 . . . . 31 ILE HG2 . 16320 1 393 . 1 1 31 31 ILE HG22 H 1 0.71 0.02 . 1 . . . . 31 ILE HG2 . 16320 1 394 . 1 1 31 31 ILE HG23 H 1 0.71 0.02 . 1 . . . . 31 ILE HG2 . 16320 1 395 . 1 1 31 31 ILE C C 13 176.4 0.2 . 1 . . . . 31 ILE C . 16320 1 396 . 1 1 31 31 ILE CA C 13 66.6 0.2 . 1 . . . . 31 ILE CA . 16320 1 397 . 1 1 31 31 ILE CB C 13 37.8 0.2 . 1 . . . . 31 ILE CB . 16320 1 398 . 1 1 31 31 ILE CD1 C 13 14.5 0.2 . 1 . . . . 31 ILE CD1 . 16320 1 399 . 1 1 31 31 ILE CG1 C 13 29.7 0.2 . 1 . . . . 31 ILE CG1 . 16320 1 400 . 1 1 31 31 ILE CG2 C 13 17.1 0.2 . 1 . . . . 31 ILE CG2 . 16320 1 401 . 1 1 31 31 ILE N N 15 123.1 0.2 . 1 . . . . 31 ILE N . 16320 1 402 . 1 1 32 32 GLU H H 1 8.07 0.02 . 1 . . . . 32 GLU H . 16320 1 403 . 1 1 32 32 GLU HA H 1 3.73 0.02 . 1 . . . . 32 GLU HA . 16320 1 404 . 1 1 32 32 GLU HB2 H 1 1.89 0.02 . 2 . . . . 32 GLU HB2 . 16320 1 405 . 1 1 32 32 GLU HB3 H 1 2.38 0.02 . 2 . . . . 32 GLU HB3 . 16320 1 406 . 1 1 32 32 GLU HG2 H 1 2.14 0.02 . 2 . . . . 32 GLU HG2 . 16320 1 407 . 1 1 32 32 GLU HG3 H 1 2.34 0.02 . 2 . . . . 32 GLU HG3 . 16320 1 408 . 1 1 32 32 GLU C C 13 178.4 0.2 . 1 . . . . 32 GLU C . 16320 1 409 . 1 1 32 32 GLU CA C 13 60.8 0.2 . 1 . . . . 32 GLU CA . 16320 1 410 . 1 1 32 32 GLU CB C 13 28.8 0.2 . 1 . . . . 32 GLU CB . 16320 1 411 . 1 1 32 32 GLU CG C 13 36.3 0.2 . 1 . . . . 32 GLU CG . 16320 1 412 . 1 1 32 32 GLU N N 15 120.3 0.2 . 1 . . . . 32 GLU N . 16320 1 413 . 1 1 33 33 LEU H H 1 8.16 0.02 . 1 . . . . 33 LEU H . 16320 1 414 . 1 1 33 33 LEU HA H 1 3.98 0.02 . 1 . . . . 33 LEU HA . 16320 1 415 . 1 1 33 33 LEU HB2 H 1 1.8 0.02 . 2 . . . . 33 LEU HB2 . 16320 1 416 . 1 1 33 33 LEU HB3 H 1 1.71 0.02 . 2 . . . . 33 LEU HB3 . 16320 1 417 . 1 1 33 33 LEU HD11 H 1 0.92 0.02 . 2 . . . . 33 LEU HD1 . 16320 1 418 . 1 1 33 33 LEU HD12 H 1 0.92 0.02 . 2 . . . . 33 LEU HD1 . 16320 1 419 . 1 1 33 33 LEU HD13 H 1 0.92 0.02 . 2 . . . . 33 LEU HD1 . 16320 1 420 . 1 1 33 33 LEU HD21 H 1 0.92 0.02 . 2 . . . . 33 LEU HD2 . 16320 1 421 . 1 1 33 33 LEU HD22 H 1 0.92 0.02 . 2 . . . . 33 LEU HD2 . 16320 1 422 . 1 1 33 33 LEU HD23 H 1 0.92 0.02 . 2 . . . . 33 LEU HD2 . 16320 1 423 . 1 1 33 33 LEU HG H 1 1.72 0.02 . 1 . . . . 33 LEU HG . 16320 1 424 . 1 1 33 33 LEU C C 13 180.1 0.2 . 1 . . . . 33 LEU C . 16320 1 425 . 1 1 33 33 LEU CA C 13 58 0.2 . 1 . . . . 33 LEU CA . 16320 1 426 . 1 1 33 33 LEU CB C 13 42.1 0.2 . 1 . . . . 33 LEU CB . 16320 1 427 . 1 1 33 33 LEU CD1 C 13 24.3 0.2 . 2 . . . . 33 LEU CD1 . 16320 1 428 . 1 1 33 33 LEU CD2 C 13 24.3 0.2 . 2 . . . . 33 LEU CD2 . 16320 1 429 . 1 1 33 33 LEU CG C 13 27 0.2 . 1 . . . . 33 LEU CG . 16320 1 430 . 1 1 33 33 LEU N N 15 117.9 0.2 . 1 . . . . 33 LEU N . 16320 1 431 . 1 1 34 34 ASP H H 1 8.2 0.02 . 1 . . . . 34 ASP H . 16320 1 432 . 1 1 34 34 ASP HA H 1 4.29 0.02 . 1 . . . . 34 ASP HA . 16320 1 433 . 1 1 34 34 ASP HB2 H 1 2.52 0.02 . 2 . . . . 34 ASP HB2 . 16320 1 434 . 1 1 34 34 ASP HB3 H 1 2.74 0.02 . 2 . . . . 34 ASP HB3 . 16320 1 435 . 1 1 34 34 ASP C C 13 178.6 0.2 . 1 . . . . 34 ASP C . 16320 1 436 . 1 1 34 34 ASP CA C 13 58.2 0.2 . 1 . . . . 34 ASP CA . 16320 1 437 . 1 1 34 34 ASP CB C 13 42.8 0.2 . 1 . . . . 34 ASP CB . 16320 1 438 . 1 1 34 34 ASP N N 15 120.5 0.2 . 1 . . . . 34 ASP N . 16320 1 439 . 1 1 35 35 LEU H H 1 8.63 0.02 . 1 . . . . 35 LEU H . 16320 1 440 . 1 1 35 35 LEU HA H 1 4.36 0.02 . 1 . . . . 35 LEU HA . 16320 1 441 . 1 1 35 35 LEU HB2 H 1 1.53 0.02 . 2 . . . . 35 LEU HB2 . 16320 1 442 . 1 1 35 35 LEU HB3 H 1 1.95 0.02 . 2 . . . . 35 LEU HB3 . 16320 1 443 . 1 1 35 35 LEU HD11 H 1 0.69 0.02 . 2 . . . . 35 LEU HD1 . 16320 1 444 . 1 1 35 35 LEU HD12 H 1 0.69 0.02 . 2 . . . . 35 LEU HD1 . 16320 1 445 . 1 1 35 35 LEU HD13 H 1 0.69 0.02 . 2 . . . . 35 LEU HD1 . 16320 1 446 . 1 1 35 35 LEU HD21 H 1 0.78 0.02 . 2 . . . . 35 LEU HD2 . 16320 1 447 . 1 1 35 35 LEU HD22 H 1 0.78 0.02 . 2 . . . . 35 LEU HD2 . 16320 1 448 . 1 1 35 35 LEU HD23 H 1 0.78 0.02 . 2 . . . . 35 LEU HD2 . 16320 1 449 . 1 1 35 35 LEU HG H 1 1.69 0.02 . 1 . . . . 35 LEU HG . 16320 1 450 . 1 1 35 35 LEU C C 13 179 0.2 . 1 . . . . 35 LEU C . 16320 1 451 . 1 1 35 35 LEU CA C 13 56.4 0.2 . 1 . . . . 35 LEU CA . 16320 1 452 . 1 1 35 35 LEU CB C 13 42.8 0.2 . 1 . . . . 35 LEU CB . 16320 1 453 . 1 1 35 35 LEU CD1 C 13 23.8 0.2 . 2 . . . . 35 LEU CD1 . 16320 1 454 . 1 1 35 35 LEU CD2 C 13 25.7 0.2 . 2 . . . . 35 LEU CD2 . 16320 1 455 . 1 1 35 35 LEU CG C 13 26.5 0.2 . 1 . . . . 35 LEU CG . 16320 1 456 . 1 1 35 35 LEU N N 15 121.3 0.2 . 1 . . . . 35 LEU N . 16320 1 457 . 1 1 36 36 ARG H H 1 7.41 0.02 . 1 . . . . 36 ARG H . 16320 1 458 . 1 1 36 36 ARG HA H 1 4.05 0.02 . 1 . . . . 36 ARG HA . 16320 1 459 . 1 1 36 36 ARG HB2 H 1 1.94 0.02 . 1 . . . . 36 ARG HB2 . 16320 1 460 . 1 1 36 36 ARG HB3 H 1 1.94 0.02 . 1 . . . . 36 ARG HB3 . 16320 1 461 . 1 1 36 36 ARG HD2 H 1 3.17 0.02 . 1 . . . . 36 ARG HD2 . 16320 1 462 . 1 1 36 36 ARG HD3 H 1 3.17 0.02 . 1 . . . . 36 ARG HD3 . 16320 1 463 . 1 1 36 36 ARG HG2 H 1 1.78 0.02 . 1 . . . . 36 ARG HG2 . 16320 1 464 . 1 1 36 36 ARG HG3 H 1 1.78 0.02 . 1 . . . . 36 ARG HG3 . 16320 1 465 . 1 1 36 36 ARG C C 13 177.8 0.2 . 1 . . . . 36 ARG C . 16320 1 466 . 1 1 36 36 ARG CA C 13 59 0.2 . 1 . . . . 36 ARG CA . 16320 1 467 . 1 1 36 36 ARG CB C 13 30 0.2 . 1 . . . . 36 ARG CB . 16320 1 468 . 1 1 36 36 ARG CD C 13 43.8 0.2 . 1 . . . . 36 ARG CD . 16320 1 469 . 1 1 36 36 ARG CG C 13 27.6 0.2 . 1 . . . . 36 ARG CG . 16320 1 470 . 1 1 36 36 ARG N N 15 117 0.2 . 1 . . . . 36 ARG N . 16320 1 471 . 1 1 37 37 GLY H H 1 7.58 0.02 . 1 . . . . 37 GLY H . 16320 1 472 . 1 1 37 37 GLY HA2 H 1 3.83 0.02 . 2 . . . . 37 GLY HA2 . 16320 1 473 . 1 1 37 37 GLY HA3 H 1 4.28 0.02 . 2 . . . . 37 GLY HA3 . 16320 1 474 . 1 1 37 37 GLY C C 13 174.8 0.2 . 1 . . . . 37 GLY C . 16320 1 475 . 1 1 37 37 GLY CA C 13 45.2 0.2 . 1 . . . . 37 GLY CA . 16320 1 476 . 1 1 37 37 GLY N N 15 103.6 0.2 . 1 . . . . 37 GLY N . 16320 1 477 . 1 1 38 38 SER H H 1 8.38 0.02 . 1 . . . . 38 SER H . 16320 1 478 . 1 1 38 38 SER HA H 1 4.33 0.02 . 1 . . . . 38 SER HA . 16320 1 479 . 1 1 38 38 SER HB2 H 1 3.77 0.02 . 1 . . . . 38 SER HB2 . 16320 1 480 . 1 1 38 38 SER HB3 H 1 3.77 0.02 . 1 . . . . 38 SER HB3 . 16320 1 481 . 1 1 38 38 SER C C 13 175.1 0.2 . 1 . . . . 38 SER C . 16320 1 482 . 1 1 38 38 SER CA C 13 58.7 0.2 . 1 . . . . 38 SER CA . 16320 1 483 . 1 1 38 38 SER CB C 13 63.8 0.2 . 1 . . . . 38 SER CB . 16320 1 484 . 1 1 38 38 SER N N 15 117.8 0.2 . 1 . . . . 38 SER N . 16320 1 485 . 1 1 39 39 ASP H H 1 8.52 0.02 . 1 . . . . 39 ASP H . 16320 1 486 . 1 1 39 39 ASP HA H 1 4.47 0.02 . 1 . . . . 39 ASP HA . 16320 1 487 . 1 1 39 39 ASP HB2 H 1 2.55 0.02 . 2 . . . . 39 ASP HB2 . 16320 1 488 . 1 1 39 39 ASP HB3 H 1 3.02 0.02 . 2 . . . . 39 ASP HB3 . 16320 1 489 . 1 1 39 39 ASP C C 13 175.3 0.2 . 1 . . . . 39 ASP C . 16320 1 490 . 1 1 39 39 ASP CA C 13 55.4 0.2 . 1 . . . . 39 ASP CA . 16320 1 491 . 1 1 39 39 ASP CB C 13 41.5 0.2 . 1 . . . . 39 ASP CB . 16320 1 492 . 1 1 39 39 ASP N N 15 120.5 0.2 . 1 . . . . 39 ASP N . 16320 1 493 . 1 1 40 40 ASN H H 1 8.23 0.02 . 1 . . . . 40 ASN H . 16320 1 494 . 1 1 40 40 ASN HA H 1 4.8 0.02 . 1 . . . . 40 ASN HA . 16320 1 495 . 1 1 40 40 ASN HB2 H 1 2.59 0.02 . 2 . . . . 40 ASN HB2 . 16320 1 496 . 1 1 40 40 ASN HB3 H 1 2.87 0.02 . 2 . . . . 40 ASN HB3 . 16320 1 497 . 1 1 40 40 ASN HD21 H 1 7.68 0.02 . 2 . . . . 40 ASN HD21 . 16320 1 498 . 1 1 40 40 ASN HD22 H 1 6.92 0.02 . 2 . . . . 40 ASN HD22 . 16320 1 499 . 1 1 40 40 ASN C C 13 174.6 0.2 . 1 . . . . 40 ASN C . 16320 1 500 . 1 1 40 40 ASN CA C 13 52.9 0.2 . 1 . . . . 40 ASN CA . 16320 1 501 . 1 1 40 40 ASN CB C 13 39.5 0.2 . 1 . . . . 40 ASN CB . 16320 1 502 . 1 1 40 40 ASN N N 15 116.1 0.2 . 1 . . . . 40 ASN N . 16320 1 503 . 1 1 40 40 ASN ND2 N 15 113.4 0.2 . 1 . . . . 40 ASN ND2 . 16320 1 504 . 1 1 41 41 ILE H H 1 8.34 0.02 . 1 . . . . 41 ILE H . 16320 1 505 . 1 1 41 41 ILE HA H 1 3.84 0.02 . 1 . . . . 41 ILE HA . 16320 1 506 . 1 1 41 41 ILE HB H 1 1.03 0.02 . 1 . . . . 41 ILE HB . 16320 1 507 . 1 1 41 41 ILE HD11 H 1 0.36 0.02 . 1 . . . . 41 ILE HD1 . 16320 1 508 . 1 1 41 41 ILE HD12 H 1 0.36 0.02 . 1 . . . . 41 ILE HD1 . 16320 1 509 . 1 1 41 41 ILE HD13 H 1 0.36 0.02 . 1 . . . . 41 ILE HD1 . 16320 1 510 . 1 1 41 41 ILE HG12 H 1 1.11 0.02 . 2 . . . . 41 ILE HG12 . 16320 1 511 . 1 1 41 41 ILE HG13 H 1 0.92 0.02 . 2 . . . . 41 ILE HG13 . 16320 1 512 . 1 1 41 41 ILE HG21 H 1 0.83 0.02 . 1 . . . . 41 ILE HG2 . 16320 1 513 . 1 1 41 41 ILE HG22 H 1 0.83 0.02 . 1 . . . . 41 ILE HG2 . 16320 1 514 . 1 1 41 41 ILE HG23 H 1 0.83 0.02 . 1 . . . . 41 ILE HG2 . 16320 1 515 . 1 1 41 41 ILE C C 13 175 0.2 . 1 . . . . 41 ILE C . 16320 1 516 . 1 1 41 41 ILE CA C 13 62.5 0.2 . 1 . . . . 41 ILE CA . 16320 1 517 . 1 1 41 41 ILE CB C 13 37.6 0.2 . 1 . . . . 41 ILE CB . 16320 1 518 . 1 1 41 41 ILE CD1 C 13 14.8 0.2 . 1 . . . . 41 ILE CD1 . 16320 1 519 . 1 1 41 41 ILE CG1 C 13 29.5 0.2 . 1 . . . . 41 ILE CG1 . 16320 1 520 . 1 1 41 41 ILE CG2 C 13 18.7 0.2 . 1 . . . . 41 ILE CG2 . 16320 1 521 . 1 1 41 41 ILE N N 15 124.8 0.2 . 1 . . . . 41 ILE N . 16320 1 522 . 1 1 42 42 LYS H H 1 7.79 0.02 . 1 . . . . 42 LYS H . 16320 1 523 . 1 1 42 42 LYS HA H 1 3.78 0.02 . 1 . . . . 42 LYS HA . 16320 1 524 . 1 1 42 42 LYS HB2 H 1 1.85 0.02 . 1 . . . . 42 LYS HB2 . 16320 1 525 . 1 1 42 42 LYS HB3 H 1 1.85 0.02 . 1 . . . . 42 LYS HB3 . 16320 1 526 . 1 1 42 42 LYS HD2 H 1 1.67 0.02 . 1 . . . . 42 LYS HD2 . 16320 1 527 . 1 1 42 42 LYS HD3 H 1 1.67 0.02 . 1 . . . . 42 LYS HD3 . 16320 1 528 . 1 1 42 42 LYS HE2 H 1 2.96 0.02 . 1 . . . . 42 LYS HE2 . 16320 1 529 . 1 1 42 42 LYS HE3 H 1 2.96 0.02 . 1 . . . . 42 LYS HE3 . 16320 1 530 . 1 1 42 42 LYS HG2 H 1 1.43 0.02 . 2 . . . . 42 LYS HG2 . 16320 1 531 . 1 1 42 42 LYS HG3 H 1 1.33 0.02 . 2 . . . . 42 LYS HG3 . 16320 1 532 . 1 1 42 42 LYS C C 13 178.3 0.2 . 1 . . . . 42 LYS C . 16320 1 533 . 1 1 42 42 LYS CA C 13 60.2 0.2 . 1 . . . . 42 LYS CA . 16320 1 534 . 1 1 42 42 LYS CB C 13 31.8 0.2 . 1 . . . . 42 LYS CB . 16320 1 535 . 1 1 42 42 LYS CD C 13 29.2 0.2 . 1 . . . . 42 LYS CD . 16320 1 536 . 1 1 42 42 LYS CE C 13 41.9 0.2 . 1 . . . . 42 LYS CE . 16320 1 537 . 1 1 42 42 LYS CG C 13 25.4 0.2 . 1 . . . . 42 LYS CG . 16320 1 538 . 1 1 42 42 LYS N N 15 122.1 0.2 . 1 . . . . 42 LYS N . 16320 1 539 . 1 1 43 43 THR H H 1 7.5 0.02 . 1 . . . . 43 THR H . 16320 1 540 . 1 1 43 43 THR HA H 1 3.79 0.02 . 1 . . . . 43 THR HA . 16320 1 541 . 1 1 43 43 THR HB H 1 4.18 0.02 . 1 . . . . 43 THR HB . 16320 1 542 . 1 1 43 43 THR HG21 H 1 1.2 0.02 . 1 . . . . 43 THR HG2 . 16320 1 543 . 1 1 43 43 THR HG22 H 1 1.2 0.02 . 1 . . . . 43 THR HG2 . 16320 1 544 . 1 1 43 43 THR HG23 H 1 1.2 0.02 . 1 . . . . 43 THR HG2 . 16320 1 545 . 1 1 43 43 THR C C 13 177.1 0.2 . 1 . . . . 43 THR C . 16320 1 546 . 1 1 43 43 THR CA C 13 65.9 0.2 . 1 . . . . 43 THR CA . 16320 1 547 . 1 1 43 43 THR CB C 13 68.4 0.2 . 1 . . . . 43 THR CB . 16320 1 548 . 1 1 43 43 THR CG2 C 13 22.3 0.2 . 1 . . . . 43 THR CG2 . 16320 1 549 . 1 1 43 43 THR N N 15 112.9 0.2 . 1 . . . . 43 THR N . 16320 1 550 . 1 1 44 44 SER H H 1 7.86 0.02 . 1 . . . . 44 SER H . 16320 1 551 . 1 1 44 44 SER HA H 1 4.57 0.02 . 1 . . . . 44 SER HA . 16320 1 552 . 1 1 44 44 SER HB2 H 1 3.74 0.02 . 2 . . . . 44 SER HB2 . 16320 1 553 . 1 1 44 44 SER HB3 H 1 3.97 0.02 . 2 . . . . 44 SER HB3 . 16320 1 554 . 1 1 44 44 SER C C 13 175.1 0.2 . 1 . . . . 44 SER C . 16320 1 555 . 1 1 44 44 SER CA C 13 63.6 0.2 . 1 . . . . 44 SER CA . 16320 1 556 . 1 1 44 44 SER CB C 13 63.9 0.2 . 1 . . . . 44 SER CB . 16320 1 557 . 1 1 44 44 SER N N 15 119.7 0.2 . 1 . . . . 44 SER N . 16320 1 558 . 1 1 45 45 ILE H H 1 8.24 0.02 . 1 . . . . 45 ILE H . 16320 1 559 . 1 1 45 45 ILE HA H 1 3.14 0.02 . 1 . . . . 45 ILE HA . 16320 1 560 . 1 1 45 45 ILE HB H 1 1.52 0.02 . 1 . . . . 45 ILE HB . 16320 1 561 . 1 1 45 45 ILE HD11 H 1 0.74 0.02 . 1 . . . . 45 ILE HD1 . 16320 1 562 . 1 1 45 45 ILE HD12 H 1 0.74 0.02 . 1 . . . . 45 ILE HD1 . 16320 1 563 . 1 1 45 45 ILE HD13 H 1 0.74 0.02 . 1 . . . . 45 ILE HD1 . 16320 1 564 . 1 1 45 45 ILE HG12 H 1 0.54 0.02 . 2 . . . . 45 ILE HG12 . 16320 1 565 . 1 1 45 45 ILE HG13 H 1 1.74 0.02 . 2 . . . . 45 ILE HG13 . 16320 1 566 . 1 1 45 45 ILE HG21 H 1 0 0.02 . 1 . . . . 45 ILE HG2 . 16320 1 567 . 1 1 45 45 ILE HG22 H 1 0 0.02 . 1 . . . . 45 ILE HG2 . 16320 1 568 . 1 1 45 45 ILE HG23 H 1 0 0.02 . 1 . . . . 45 ILE HG2 . 16320 1 569 . 1 1 45 45 ILE C C 13 176.5 0.2 . 1 . . . . 45 ILE C . 16320 1 570 . 1 1 45 45 ILE CA C 13 66.2 0.2 . 1 . . . . 45 ILE CA . 16320 1 571 . 1 1 45 45 ILE CB C 13 37.8 0.2 . 1 . . . . 45 ILE CB . 16320 1 572 . 1 1 45 45 ILE CD1 C 13 15.4 0.2 . 1 . . . . 45 ILE CD1 . 16320 1 573 . 1 1 45 45 ILE CG1 C 13 29.4 0.2 . 1 . . . . 45 ILE CG1 . 16320 1 574 . 1 1 45 45 ILE CG2 C 13 15.6 0.2 . 1 . . . . 45 ILE CG2 . 16320 1 575 . 1 1 45 45 ILE N N 15 121.3 0.2 . 1 . . . . 45 ILE N . 16320 1 576 . 1 1 46 46 ILE H H 1 7.68 0.02 . 1 . . . . 46 ILE H . 16320 1 577 . 1 1 46 46 ILE HA H 1 3.48 0.02 . 1 . . . . 46 ILE HA . 16320 1 578 . 1 1 46 46 ILE HB H 1 1.83 0.02 . 1 . . . . 46 ILE HB . 16320 1 579 . 1 1 46 46 ILE HD11 H 1 0.77 0.02 . 1 . . . . 46 ILE HD1 . 16320 1 580 . 1 1 46 46 ILE HD12 H 1 0.77 0.02 . 1 . . . . 46 ILE HD1 . 16320 1 581 . 1 1 46 46 ILE HD13 H 1 0.77 0.02 . 1 . . . . 46 ILE HD1 . 16320 1 582 . 1 1 46 46 ILE HG12 H 1 1.1 0.02 . 2 . . . . 46 ILE HG12 . 16320 1 583 . 1 1 46 46 ILE HG13 H 1 1.66 0.02 . 2 . . . . 46 ILE HG13 . 16320 1 584 . 1 1 46 46 ILE HG21 H 1 0.87 0.02 . 1 . . . . 46 ILE HG2 . 16320 1 585 . 1 1 46 46 ILE HG22 H 1 0.87 0.02 . 1 . . . . 46 ILE HG2 . 16320 1 586 . 1 1 46 46 ILE HG23 H 1 0.87 0.02 . 1 . . . . 46 ILE HG2 . 16320 1 587 . 1 1 46 46 ILE C C 13 178.9 0.2 . 1 . . . . 46 ILE C . 16320 1 588 . 1 1 46 46 ILE CA C 13 65.3 0.2 . 1 . . . . 46 ILE CA . 16320 1 589 . 1 1 46 46 ILE CB C 13 37.8 0.2 . 1 . . . . 46 ILE CB . 16320 1 590 . 1 1 46 46 ILE CD1 C 13 13.1 0.2 . 1 . . . . 46 ILE CD1 . 16320 1 591 . 1 1 46 46 ILE CG1 C 13 29.4 0.2 . 1 . . . . 46 ILE CG1 . 16320 1 592 . 1 1 46 46 ILE CG2 C 13 17.2 0.2 . 1 . . . . 46 ILE CG2 . 16320 1 593 . 1 1 46 46 ILE N N 15 117.1 0.2 . 1 . . . . 46 ILE N . 16320 1 594 . 1 1 47 47 TYR H H 1 8.4 0.02 . 1 . . . . 47 TYR H . 16320 1 595 . 1 1 47 47 TYR HA H 1 4.19 0.02 . 1 . . . . 47 TYR HA . 16320 1 596 . 1 1 47 47 TYR HB2 H 1 3.26 0.02 . 2 . . . . 47 TYR HB2 . 16320 1 597 . 1 1 47 47 TYR HB3 H 1 3 0.02 . 2 . . . . 47 TYR HB3 . 16320 1 598 . 1 1 47 47 TYR HD1 H 1 7.02 0.02 . 1 . . . . 47 TYR HD1 . 16320 1 599 . 1 1 47 47 TYR HD2 H 1 7.02 0.02 . 1 . . . . 47 TYR HD2 . 16320 1 600 . 1 1 47 47 TYR HE1 H 1 6.75 0.02 . 1 . . . . 47 TYR HE1 . 16320 1 601 . 1 1 47 47 TYR HE2 H 1 6.75 0.02 . 1 . . . . 47 TYR HE2 . 16320 1 602 . 1 1 47 47 TYR C C 13 178.7 0.2 . 1 . . . . 47 TYR C . 16320 1 603 . 1 1 47 47 TYR CA C 13 61.3 0.2 . 1 . . . . 47 TYR CA . 16320 1 604 . 1 1 47 47 TYR CB C 13 38.4 0.2 . 1 . . . . 47 TYR CB . 16320 1 605 . 1 1 47 47 TYR CD1 C 13 133.1 0.2 . 1 . . . . 47 TYR CD1 . 16320 1 606 . 1 1 47 47 TYR CD2 C 13 133.1 0.2 . 1 . . . . 47 TYR CD2 . 16320 1 607 . 1 1 47 47 TYR CE1 C 13 118.1 0.2 . 1 . . . . 47 TYR CE1 . 16320 1 608 . 1 1 47 47 TYR CE2 C 13 118.1 0.2 . 1 . . . . 47 TYR CE2 . 16320 1 609 . 1 1 47 47 TYR N N 15 120.9 0.2 . 1 . . . . 47 TYR N . 16320 1 610 . 1 1 48 48 VAL H H 1 8.48 0.02 . 1 . . . . 48 VAL H . 16320 1 611 . 1 1 48 48 VAL HA H 1 3.56 0.02 . 1 . . . . 48 VAL HA . 16320 1 612 . 1 1 48 48 VAL HB H 1 2.04 0.02 . 1 . . . . 48 VAL HB . 16320 1 613 . 1 1 48 48 VAL HG11 H 1 1.35 0.02 . 2 . . . . 48 VAL HG1 . 16320 1 614 . 1 1 48 48 VAL HG12 H 1 1.35 0.02 . 2 . . . . 48 VAL HG1 . 16320 1 615 . 1 1 48 48 VAL HG13 H 1 1.35 0.02 . 2 . . . . 48 VAL HG1 . 16320 1 616 . 1 1 48 48 VAL HG21 H 1 1.12 0.02 . 2 . . . . 48 VAL HG2 . 16320 1 617 . 1 1 48 48 VAL HG22 H 1 1.12 0.02 . 2 . . . . 48 VAL HG2 . 16320 1 618 . 1 1 48 48 VAL HG23 H 1 1.12 0.02 . 2 . . . . 48 VAL HG2 . 16320 1 619 . 1 1 48 48 VAL C C 13 179.6 0.2 . 1 . . . . 48 VAL C . 16320 1 620 . 1 1 48 48 VAL CA C 13 67 0.2 . 1 . . . . 48 VAL CA . 16320 1 621 . 1 1 48 48 VAL CB C 13 31.7 0.2 . 1 . . . . 48 VAL CB . 16320 1 622 . 1 1 48 48 VAL CG1 C 13 22.7 0.2 . 2 . . . . 48 VAL CG1 . 16320 1 623 . 1 1 48 48 VAL CG2 C 13 22.7 0.2 . 2 . . . . 48 VAL CG2 . 16320 1 624 . 1 1 48 48 VAL N N 15 121.6 0.2 . 1 . . . . 48 VAL N . 16320 1 625 . 1 1 49 49 TYR H H 1 9.63 0.02 . 1 . . . . 49 TYR H . 16320 1 626 . 1 1 49 49 TYR HA H 1 4.08 0.02 . 1 . . . . 49 TYR HA . 16320 1 627 . 1 1 49 49 TYR HB2 H 1 2.8 0.02 . 2 . . . . 49 TYR HB2 . 16320 1 628 . 1 1 49 49 TYR HB3 H 1 3.43 0.02 . 2 . . . . 49 TYR HB3 . 16320 1 629 . 1 1 49 49 TYR HD1 H 1 6.76 0.02 . 1 . . . . 49 TYR HD1 . 16320 1 630 . 1 1 49 49 TYR HD2 H 1 6.76 0.02 . 1 . . . . 49 TYR HD2 . 16320 1 631 . 1 1 49 49 TYR HE1 H 1 6.54 0.02 . 1 . . . . 49 TYR HE1 . 16320 1 632 . 1 1 49 49 TYR HE2 H 1 6.54 0.02 . 1 . . . . 49 TYR HE2 . 16320 1 633 . 1 1 49 49 TYR C C 13 179.3 0.2 . 1 . . . . 49 TYR C . 16320 1 634 . 1 1 49 49 TYR CA C 13 59.9 0.2 . 1 . . . . 49 TYR CA . 16320 1 635 . 1 1 49 49 TYR CB C 13 35.3 0.2 . 1 . . . . 49 TYR CB . 16320 1 636 . 1 1 49 49 TYR CD1 C 13 130.3 0.2 . 1 . . . . 49 TYR CD1 . 16320 1 637 . 1 1 49 49 TYR CD2 C 13 130.3 0.2 . 1 . . . . 49 TYR CD2 . 16320 1 638 . 1 1 49 49 TYR CE1 C 13 117.6 0.2 . 1 . . . . 49 TYR CE1 . 16320 1 639 . 1 1 49 49 TYR CE2 C 13 117.6 0.2 . 1 . . . . 49 TYR CE2 . 16320 1 640 . 1 1 49 49 TYR N N 15 122 0.2 . 1 . . . . 49 TYR N . 16320 1 641 . 1 1 50 50 SER H H 1 8.12 0.02 . 1 . . . . 50 SER H . 16320 1 642 . 1 1 50 50 SER HA H 1 4.13 0.02 . 1 . . . . 50 SER HA . 16320 1 643 . 1 1 50 50 SER HB2 H 1 4.01 0.02 . 1 . . . . 50 SER HB2 . 16320 1 644 . 1 1 50 50 SER HB3 H 1 4.01 0.02 . 1 . . . . 50 SER HB3 . 16320 1 645 . 1 1 50 50 SER C C 13 175.7 0.2 . 1 . . . . 50 SER C . 16320 1 646 . 1 1 50 50 SER CA C 13 62 0.2 . 1 . . . . 50 SER CA . 16320 1 647 . 1 1 50 50 SER CB C 13 62.9 0.2 . 1 . . . . 50 SER CB . 16320 1 648 . 1 1 50 50 SER N N 15 112.6 0.2 . 1 . . . . 50 SER N . 16320 1 649 . 1 1 51 51 SER H H 1 7.51 0.02 . 1 . . . . 51 SER H . 16320 1 650 . 1 1 51 51 SER HA H 1 4.35 0.02 . 1 . . . . 51 SER HA . 16320 1 651 . 1 1 51 51 SER HB2 H 1 3.58 0.02 . 2 . . . . 51 SER HB2 . 16320 1 652 . 1 1 51 51 SER HB3 H 1 3.85 0.02 . 2 . . . . 51 SER HB3 . 16320 1 653 . 1 1 51 51 SER C C 13 173.6 0.2 . 1 . . . . 51 SER C . 16320 1 654 . 1 1 51 51 SER CA C 13 59.5 0.2 . 1 . . . . 51 SER CA . 16320 1 655 . 1 1 51 51 SER CB C 13 63.3 0.2 . 1 . . . . 51 SER CB . 16320 1 656 . 1 1 51 51 SER N N 15 116.8 0.2 . 1 . . . . 51 SER N . 16320 1 657 . 1 1 52 52 HIS H H 1 7.59 0.02 . 1 . . . . 52 HIS H . 16320 1 658 . 1 1 52 52 HIS HA H 1 4.89 0.02 . 1 . . . . 52 HIS HA . 16320 1 659 . 1 1 52 52 HIS HB2 H 1 2.46 0.02 . 2 . . . . 52 HIS HB2 . 16320 1 660 . 1 1 52 52 HIS HB3 H 1 3.3 0.02 . 2 . . . . 52 HIS HB3 . 16320 1 661 . 1 1 52 52 HIS HD2 H 1 7.41 0.02 . 1 . . . . 52 HIS HD2 . 16320 1 662 . 1 1 52 52 HIS HE1 H 1 8.18 0.02 . 1 . . . . 52 HIS HE1 . 16320 1 663 . 1 1 52 52 HIS C C 13 175.2 0.2 . 1 . . . . 52 HIS C . 16320 1 664 . 1 1 52 52 HIS CA C 13 54.1 0.2 . 1 . . . . 52 HIS CA . 16320 1 665 . 1 1 52 52 HIS CB C 13 29.5 0.2 . 1 . . . . 52 HIS CB . 16320 1 666 . 1 1 52 52 HIS CD2 C 13 121.7 0.2 . 1 . . . . 52 HIS CD2 . 16320 1 667 . 1 1 52 52 HIS CE1 C 13 136.1 0.2 . 1 . . . . 52 HIS CE1 . 16320 1 668 . 1 1 52 52 HIS N N 15 120.5 0.2 . 1 . . . . 52 HIS N . 16320 1 669 . 1 1 53 53 LEU H H 1 7.44 0.02 . 1 . . . . 53 LEU H . 16320 1 670 . 1 1 53 53 LEU HA H 1 3.87 0.02 . 1 . . . . 53 LEU HA . 16320 1 671 . 1 1 53 53 LEU HB2 H 1 1.55 0.02 . 2 . . . . 53 LEU HB2 . 16320 1 672 . 1 1 53 53 LEU HB3 H 1 1.73 0.02 . 2 . . . . 53 LEU HB3 . 16320 1 673 . 1 1 53 53 LEU HD11 H 1 0.87 0.02 . 2 . . . . 53 LEU HD1 . 16320 1 674 . 1 1 53 53 LEU HD12 H 1 0.87 0.02 . 2 . . . . 53 LEU HD1 . 16320 1 675 . 1 1 53 53 LEU HD13 H 1 0.87 0.02 . 2 . . . . 53 LEU HD1 . 16320 1 676 . 1 1 53 53 LEU HD21 H 1 0.87 0.02 . 2 . . . . 53 LEU HD2 . 16320 1 677 . 1 1 53 53 LEU HD22 H 1 0.87 0.02 . 2 . . . . 53 LEU HD2 . 16320 1 678 . 1 1 53 53 LEU HD23 H 1 0.87 0.02 . 2 . . . . 53 LEU HD2 . 16320 1 679 . 1 1 53 53 LEU HG H 1 1.68 0.02 . 1 . . . . 53 LEU HG . 16320 1 680 . 1 1 53 53 LEU C C 13 177.9 0.2 . 1 . . . . 53 LEU C . 16320 1 681 . 1 1 53 53 LEU CA C 13 59.1 0.2 . 1 . . . . 53 LEU CA . 16320 1 682 . 1 1 53 53 LEU CB C 13 42.3 0.2 . 1 . . . . 53 LEU CB . 16320 1 683 . 1 1 53 53 LEU CD1 C 13 24.3 0.2 . 2 . . . . 53 LEU CD1 . 16320 1 684 . 1 1 53 53 LEU CD2 C 13 24.3 0.2 . 2 . . . . 53 LEU CD2 . 16320 1 685 . 1 1 53 53 LEU CG C 13 26.7 0.2 . 1 . . . . 53 LEU CG . 16320 1 686 . 1 1 53 53 LEU N N 15 121.4 0.2 . 1 . . . . 53 LEU N . 16320 1 687 . 1 1 54 54 ASP H H 1 8.4 0.02 . 1 . . . . 54 ASP H . 16320 1 688 . 1 1 54 54 ASP HA H 1 4.29 0.02 . 1 . . . . 54 ASP HA . 16320 1 689 . 1 1 54 54 ASP HB2 H 1 2.61 0.02 . 1 . . . . 54 ASP HB2 . 16320 1 690 . 1 1 54 54 ASP HB3 H 1 2.61 0.02 . 1 . . . . 54 ASP HB3 . 16320 1 691 . 1 1 54 54 ASP C C 13 177.9 0.2 . 1 . . . . 54 ASP C . 16320 1 692 . 1 1 54 54 ASP CA C 13 57.6 0.2 . 1 . . . . 54 ASP CA . 16320 1 693 . 1 1 54 54 ASP CB C 13 40.2 0.2 . 1 . . . . 54 ASP CB . 16320 1 694 . 1 1 54 54 ASP N N 15 115.9 0.2 . 1 . . . . 54 ASP N . 16320 1 695 . 1 1 55 55 GLU H H 1 7.5 0.02 . 1 . . . . 55 GLU H . 16320 1 696 . 1 1 55 55 GLU HA H 1 4.31 0.02 . 1 . . . . 55 GLU HA . 16320 1 697 . 1 1 55 55 GLU HB2 H 1 1.82 0.02 . 2 . . . . 55 GLU HB2 . 16320 1 698 . 1 1 55 55 GLU HB3 H 1 2.05 0.02 . 2 . . . . 55 GLU HB3 . 16320 1 699 . 1 1 55 55 GLU HG2 H 1 2.25 0.02 . 2 . . . . 55 GLU HG2 . 16320 1 700 . 1 1 55 55 GLU HG3 H 1 2.1 0.02 . 2 . . . . 55 GLU HG3 . 16320 1 701 . 1 1 55 55 GLU C C 13 178.3 0.2 . 1 . . . . 55 GLU C . 16320 1 702 . 1 1 55 55 GLU CA C 13 57.8 0.2 . 1 . . . . 55 GLU CA . 16320 1 703 . 1 1 55 55 GLU CB C 13 29.1 0.2 . 1 . . . . 55 GLU CB . 16320 1 704 . 1 1 55 55 GLU CG C 13 34.3 0.2 . 1 . . . . 55 GLU CG . 16320 1 705 . 1 1 55 55 GLU N N 15 120.1 0.2 . 1 . . . . 55 GLU N . 16320 1 706 . 1 1 56 56 ILE H H 1 7.72 0.02 . 1 . . . . 56 ILE H . 16320 1 707 . 1 1 56 56 ILE HA H 1 3.44 0.02 . 1 . . . . 56 ILE HA . 16320 1 708 . 1 1 56 56 ILE HB H 1 1.64 0.02 . 1 . . . . 56 ILE HB . 16320 1 709 . 1 1 56 56 ILE HD11 H 1 0 0.02 . 1 . . . . 56 ILE HD1 . 16320 1 710 . 1 1 56 56 ILE HD12 H 1 0 0.02 . 1 . . . . 56 ILE HD1 . 16320 1 711 . 1 1 56 56 ILE HD13 H 1 0 0.02 . 1 . . . . 56 ILE HD1 . 16320 1 712 . 1 1 56 56 ILE HG12 H 1 0.86 0.02 . 2 . . . . 56 ILE HG12 . 16320 1 713 . 1 1 56 56 ILE HG13 H 1 0.6 0.02 . 2 . . . . 56 ILE HG13 . 16320 1 714 . 1 1 56 56 ILE HG21 H 1 0.42 0.02 . 1 . . . . 56 ILE HG2 . 16320 1 715 . 1 1 56 56 ILE HG22 H 1 0.42 0.02 . 1 . . . . 56 ILE HG2 . 16320 1 716 . 1 1 56 56 ILE HG23 H 1 0.42 0.02 . 1 . . . . 56 ILE HG2 . 16320 1 717 . 1 1 56 56 ILE C C 13 178.6 0.2 . 1 . . . . 56 ILE C . 16320 1 718 . 1 1 56 56 ILE CA C 13 62.5 0.2 . 1 . . . . 56 ILE CA . 16320 1 719 . 1 1 56 56 ILE CB C 13 36.2 0.2 . 1 . . . . 56 ILE CB . 16320 1 720 . 1 1 56 56 ILE CD1 C 13 9.8 0.2 . 1 . . . . 56 ILE CD1 . 16320 1 721 . 1 1 56 56 ILE CG1 C 13 28.1 0.2 . 1 . . . . 56 ILE CG1 . 16320 1 722 . 1 1 56 56 ILE CG2 C 13 17.9 0.2 . 1 . . . . 56 ILE CG2 . 16320 1 723 . 1 1 56 56 ILE N N 15 119.6 0.2 . 1 . . . . 56 ILE N . 16320 1 724 . 1 1 57 57 ARG H H 1 8.2 0.02 . 1 . . . . 57 ARG H . 16320 1 725 . 1 1 57 57 ARG HA H 1 3.93 0.02 . 1 . . . . 57 ARG HA . 16320 1 726 . 1 1 57 57 ARG HB2 H 1 1.88 0.02 . 1 . . . . 57 ARG HB2 . 16320 1 727 . 1 1 57 57 ARG HB3 H 1 1.88 0.02 . 1 . . . . 57 ARG HB3 . 16320 1 728 . 1 1 57 57 ARG HD2 H 1 3.17 0.02 . 1 . . . . 57 ARG HD2 . 16320 1 729 . 1 1 57 57 ARG HD3 H 1 3.17 0.02 . 1 . . . . 57 ARG HD3 . 16320 1 730 . 1 1 57 57 ARG HG2 H 1 1.71 0.02 . 1 . . . . 57 ARG HG2 . 16320 1 731 . 1 1 57 57 ARG HG3 H 1 1.71 0.02 . 1 . . . . 57 ARG HG3 . 16320 1 732 . 1 1 57 57 ARG C C 13 178.8 0.2 . 1 . . . . 57 ARG C . 16320 1 733 . 1 1 57 57 ARG CA C 13 59 0.2 . 1 . . . . 57 ARG CA . 16320 1 734 . 1 1 57 57 ARG CB C 13 30.1 0.2 . 1 . . . . 57 ARG CB . 16320 1 735 . 1 1 57 57 ARG CD C 13 43.7 0.2 . 1 . . . . 57 ARG CD . 16320 1 736 . 1 1 57 57 ARG CG C 13 27.7 0.2 . 1 . . . . 57 ARG CG . 16320 1 737 . 1 1 57 57 ARG N N 15 115.5 0.2 . 1 . . . . 57 ARG N . 16320 1 738 . 1 1 58 58 LYS H H 1 7.4 0.02 . 1 . . . . 58 LYS H . 16320 1 739 . 1 1 58 58 LYS HA H 1 4.21 0.02 . 1 . . . . 58 LYS HA . 16320 1 740 . 1 1 58 58 LYS HB2 H 1 1.95 0.02 . 1 . . . . 58 LYS HB2 . 16320 1 741 . 1 1 58 58 LYS HB3 H 1 1.95 0.02 . 1 . . . . 58 LYS HB3 . 16320 1 742 . 1 1 58 58 LYS HD2 H 1 1.75 0.02 . 1 . . . . 58 LYS HD2 . 16320 1 743 . 1 1 58 58 LYS HD3 H 1 1.75 0.02 . 1 . . . . 58 LYS HD3 . 16320 1 744 . 1 1 58 58 LYS HE2 H 1 3.02 0.02 . 1 . . . . 58 LYS HE2 . 16320 1 745 . 1 1 58 58 LYS HE3 H 1 3.02 0.02 . 1 . . . . 58 LYS HE3 . 16320 1 746 . 1 1 58 58 LYS HG2 H 1 1.49 0.02 . 1 . . . . 58 LYS HG2 . 16320 1 747 . 1 1 58 58 LYS HG3 H 1 1.49 0.02 . 1 . . . . 58 LYS HG3 . 16320 1 748 . 1 1 58 58 LYS C C 13 176.8 0.2 . 1 . . . . 58 LYS C . 16320 1 749 . 1 1 58 58 LYS CA C 13 58.1 0.2 . 1 . . . . 58 LYS CA . 16320 1 750 . 1 1 58 58 LYS CB C 13 33.1 0.2 . 1 . . . . 58 LYS CB . 16320 1 751 . 1 1 58 58 LYS CD C 13 29.4 0.2 . 1 . . . . 58 LYS CD . 16320 1 752 . 1 1 58 58 LYS CE C 13 42.1 0.2 . 1 . . . . 58 LYS CE . 16320 1 753 . 1 1 58 58 LYS CG C 13 25.3 0.2 . 1 . . . . 58 LYS CG . 16320 1 754 . 1 1 58 58 LYS N N 15 117.4 0.2 . 1 . . . . 58 LYS N . 16320 1 755 . 1 1 59 59 ASN H H 1 7.63 0.02 . 1 . . . . 59 ASN H . 16320 1 756 . 1 1 59 59 ASN HA H 1 5.31 0.02 . 1 . . . . 59 ASN HA . 16320 1 757 . 1 1 59 59 ASN HB2 H 1 2.77 0.02 . 2 . . . . 59 ASN HB2 . 16320 1 758 . 1 1 59 59 ASN HB3 H 1 2.92 0.02 . 2 . . . . 59 ASN HB3 . 16320 1 759 . 1 1 59 59 ASN HD21 H 1 7.79 0.02 . 2 . . . . 59 ASN HD21 . 16320 1 760 . 1 1 59 59 ASN HD22 H 1 6.77 0.02 . 2 . . . . 59 ASN HD22 . 16320 1 761 . 1 1 59 59 ASN C C 13 174.9 0.2 . 1 . . . . 59 ASN C . 16320 1 762 . 1 1 59 59 ASN CA C 13 52.1 0.2 . 1 . . . . 59 ASN CA . 16320 1 763 . 1 1 59 59 ASN CB C 13 40.2 0.2 . 1 . . . . 59 ASN CB . 16320 1 764 . 1 1 59 59 ASN N N 15 119.2 0.2 . 1 . . . . 59 ASN N . 16320 1 765 . 1 1 59 59 ASN ND2 N 15 115.4 0.2 . 1 . . . . 59 ASN ND2 . 16320 1 766 . 1 1 60 60 LYS H H 1 7.46 0.02 . 1 . . . . 60 LYS H . 16320 1 767 . 1 1 60 60 LYS HA H 1 4.07 0.02 . 1 . . . . 60 LYS HA . 16320 1 768 . 1 1 60 60 LYS HB2 H 1 1.98 0.02 . 2 . . . . 60 LYS HB2 . 16320 1 769 . 1 1 60 60 LYS HB3 H 1 1.84 0.02 . 2 . . . . 60 LYS HB3 . 16320 1 770 . 1 1 60 60 LYS HD2 H 1 1.58 0.02 . 2 . . . . 60 LYS HD2 . 16320 1 771 . 1 1 60 60 LYS HD3 H 1 1.71 0.02 . 2 . . . . 60 LYS HD3 . 16320 1 772 . 1 1 60 60 LYS HE2 H 1 2.98 0.02 . 1 . . . . 60 LYS HE2 . 16320 1 773 . 1 1 60 60 LYS HE3 H 1 2.98 0.02 . 1 . . . . 60 LYS HE3 . 16320 1 774 . 1 1 60 60 LYS HG2 H 1 1.44 0.02 . 1 . . . . 60 LYS HG2 . 16320 1 775 . 1 1 60 60 LYS HG3 H 1 1.44 0.02 . 1 . . . . 60 LYS HG3 . 16320 1 776 . 1 1 60 60 LYS C C 13 177.9 0.2 . 1 . . . . 60 LYS C . 16320 1 777 . 1 1 60 60 LYS CA C 13 61.1 0.2 . 1 . . . . 60 LYS CA . 16320 1 778 . 1 1 60 60 LYS CB C 13 33.3 0.2 . 1 . . . . 60 LYS CB . 16320 1 779 . 1 1 60 60 LYS CD C 13 29.3 0.2 . 1 . . . . 60 LYS CD . 16320 1 780 . 1 1 60 60 LYS CE C 13 42.3 0.2 . 1 . . . . 60 LYS CE . 16320 1 781 . 1 1 60 60 LYS CG C 13 24.6 0.2 . 1 . . . . 60 LYS CG . 16320 1 782 . 1 1 60 60 LYS N N 15 122.7 0.2 . 1 . . . . 60 LYS N . 16320 1 783 . 1 1 61 61 GLU H H 1 8.66 0.02 . 1 . . . . 61 GLU H . 16320 1 784 . 1 1 61 61 GLU HA H 1 4.08 0.02 . 1 . . . . 61 GLU HA . 16320 1 785 . 1 1 61 61 GLU HB2 H 1 2.21 0.02 . 2 . . . . 61 GLU HB2 . 16320 1 786 . 1 1 61 61 GLU HB3 H 1 2.1 0.02 . 2 . . . . 61 GLU HB3 . 16320 1 787 . 1 1 61 61 GLU HG2 H 1 2.43 0.02 . 1 . . . . 61 GLU HG2 . 16320 1 788 . 1 1 61 61 GLU HG3 H 1 2.43 0.02 . 1 . . . . 61 GLU HG3 . 16320 1 789 . 1 1 61 61 GLU C C 13 178.9 0.2 . 1 . . . . 61 GLU C . 16320 1 790 . 1 1 61 61 GLU CA C 13 60.1 0.2 . 1 . . . . 61 GLU CA . 16320 1 791 . 1 1 61 61 GLU CB C 13 29.1 0.2 . 1 . . . . 61 GLU CB . 16320 1 792 . 1 1 61 61 GLU CG C 13 36.9 0.2 . 1 . . . . 61 GLU CG . 16320 1 793 . 1 1 61 61 GLU N N 15 117.3 0.2 . 1 . . . . 61 GLU N . 16320 1 794 . 1 1 62 62 PHE H H 1 7.67 0.02 . 1 . . . . 62 PHE H . 16320 1 795 . 1 1 62 62 PHE HA H 1 3.42 0.02 . 1 . . . . 62 PHE HA . 16320 1 796 . 1 1 62 62 PHE HB2 H 1 1.92 0.02 . 2 . . . . 62 PHE HB2 . 16320 1 797 . 1 1 62 62 PHE HB3 H 1 2.42 0.02 . 2 . . . . 62 PHE HB3 . 16320 1 798 . 1 1 62 62 PHE HD1 H 1 5.68 0.02 . 1 . . . . 62 PHE HD1 . 16320 1 799 . 1 1 62 62 PHE HD2 H 1 5.68 0.02 . 1 . . . . 62 PHE HD2 . 16320 1 800 . 1 1 62 62 PHE HE1 H 1 6.68 0.02 . 1 . . . . 62 PHE HE1 . 16320 1 801 . 1 1 62 62 PHE HE2 H 1 6.68 0.02 . 1 . . . . 62 PHE HE2 . 16320 1 802 . 1 1 62 62 PHE HZ H 1 6.71 0.02 . 1 . . . . 62 PHE HZ . 16320 1 803 . 1 1 62 62 PHE C C 13 176.2 0.2 . 1 . . . . 62 PHE C . 16320 1 804 . 1 1 62 62 PHE CA C 13 60.9 0.2 . 1 . . . . 62 PHE CA . 16320 1 805 . 1 1 62 62 PHE CB C 13 38.3 0.2 . 1 . . . . 62 PHE CB . 16320 1 806 . 1 1 62 62 PHE CD1 C 13 131.5 0.2 . 1 . . . . 62 PHE CD1 . 16320 1 807 . 1 1 62 62 PHE CD2 C 13 131.5 0.2 . 1 . . . . 62 PHE CD2 . 16320 1 808 . 1 1 62 62 PHE CE1 C 13 130.9 0.2 . 1 . . . . 62 PHE CE1 . 16320 1 809 . 1 1 62 62 PHE CE2 C 13 130.9 0.2 . 1 . . . . 62 PHE CE2 . 16320 1 810 . 1 1 62 62 PHE CZ C 13 128.1 0.2 . 1 . . . . 62 PHE CZ . 16320 1 811 . 1 1 62 62 PHE N N 15 119.3 0.2 . 1 . . . . 62 PHE N . 16320 1 812 . 1 1 63 63 TYR H H 1 7.85 0.02 . 1 . . . . 63 TYR H . 16320 1 813 . 1 1 63 63 TYR HA H 1 3.87 0.02 . 1 . . . . 63 TYR HA . 16320 1 814 . 1 1 63 63 TYR HB2 H 1 2.82 0.02 . 2 . . . . 63 TYR HB2 . 16320 1 815 . 1 1 63 63 TYR HB3 H 1 2.48 0.02 . 2 . . . . 63 TYR HB3 . 16320 1 816 . 1 1 63 63 TYR HD1 H 1 7.12 0.02 . 1 . . . . 63 TYR HD1 . 16320 1 817 . 1 1 63 63 TYR HD2 H 1 7.12 0.02 . 1 . . . . 63 TYR HD2 . 16320 1 818 . 1 1 63 63 TYR HE1 H 1 6.58 0.02 . 1 . . . . 63 TYR HE1 . 16320 1 819 . 1 1 63 63 TYR HE2 H 1 6.58 0.02 . 1 . . . . 63 TYR HE2 . 16320 1 820 . 1 1 63 63 TYR C C 13 180.2 0.2 . 1 . . . . 63 TYR C . 16320 1 821 . 1 1 63 63 TYR CA C 13 63.5 0.2 . 1 . . . . 63 TYR CA . 16320 1 822 . 1 1 63 63 TYR CB C 13 37.1 0.2 . 1 . . . . 63 TYR CB . 16320 1 823 . 1 1 63 63 TYR CD1 C 13 133.3 0.2 . 1 . . . . 63 TYR CD1 . 16320 1 824 . 1 1 63 63 TYR CD2 C 13 133.3 0.2 . 1 . . . . 63 TYR CD2 . 16320 1 825 . 1 1 63 63 TYR CE1 C 13 117.5 0.2 . 1 . . . . 63 TYR CE1 . 16320 1 826 . 1 1 63 63 TYR CE2 C 13 117.5 0.2 . 1 . . . . 63 TYR CE2 . 16320 1 827 . 1 1 63 63 TYR N N 15 116.5 0.2 . 1 . . . . 63 TYR N . 16320 1 828 . 1 1 64 64 ASP H H 1 9.11 0.02 . 1 . . . . 64 ASP H . 16320 1 829 . 1 1 64 64 ASP HA H 1 4.65 0.02 . 1 . . . . 64 ASP HA . 16320 1 830 . 1 1 64 64 ASP HB2 H 1 2.65 0.02 . 2 . . . . 64 ASP HB2 . 16320 1 831 . 1 1 64 64 ASP HB3 H 1 2.92 0.02 . 2 . . . . 64 ASP HB3 . 16320 1 832 . 1 1 64 64 ASP C C 13 178.7 0.2 . 1 . . . . 64 ASP C . 16320 1 833 . 1 1 64 64 ASP CA C 13 57.6 0.2 . 1 . . . . 64 ASP CA . 16320 1 834 . 1 1 64 64 ASP CB C 13 39.8 0.2 . 1 . . . . 64 ASP CB . 16320 1 835 . 1 1 64 64 ASP N N 15 126.1 0.2 . 1 . . . . 64 ASP N . 16320 1 836 . 1 1 65 65 MET H H 1 7.6 0.02 . 1 . . . . 65 MET H . 16320 1 837 . 1 1 65 65 MET HA H 1 4.14 0.02 . 1 . . . . 65 MET HA . 16320 1 838 . 1 1 65 65 MET HB2 H 1 1.85 0.02 . 2 . . . . 65 MET HB2 . 16320 1 839 . 1 1 65 65 MET HB3 H 1 2.19 0.02 . 2 . . . . 65 MET HB3 . 16320 1 840 . 1 1 65 65 MET HE1 H 1 2.05 0.02 . 1 . . . . 65 MET HE . 16320 1 841 . 1 1 65 65 MET HE2 H 1 2.05 0.02 . 1 . . . . 65 MET HE . 16320 1 842 . 1 1 65 65 MET HE3 H 1 2.05 0.02 . 1 . . . . 65 MET HE . 16320 1 843 . 1 1 65 65 MET HG2 H 1 2.72 0.02 . 2 . . . . 65 MET HG2 . 16320 1 844 . 1 1 65 65 MET HG3 H 1 2.49 0.02 . 2 . . . . 65 MET HG3 . 16320 1 845 . 1 1 65 65 MET C C 13 178.8 0.2 . 1 . . . . 65 MET C . 16320 1 846 . 1 1 65 65 MET CA C 13 59.3 0.2 . 1 . . . . 65 MET CA . 16320 1 847 . 1 1 65 65 MET CB C 13 32.8 0.2 . 1 . . . . 65 MET CB . 16320 1 848 . 1 1 65 65 MET CE C 13 17.5 0.2 . 1 . . . . 65 MET CE . 16320 1 849 . 1 1 65 65 MET CG C 13 31.9 0.2 . 1 . . . . 65 MET CG . 16320 1 850 . 1 1 65 65 MET N N 15 121.1 0.2 . 1 . . . . 65 MET N . 16320 1 851 . 1 1 66 66 ILE H H 1 7.91 0.02 . 1 . . . . 66 ILE H . 16320 1 852 . 1 1 66 66 ILE HA H 1 3.43 0.02 . 1 . . . . 66 ILE HA . 16320 1 853 . 1 1 66 66 ILE HB H 1 1.81 0.02 . 1 . . . . 66 ILE HB . 16320 1 854 . 1 1 66 66 ILE HD11 H 1 0.31 0.02 . 1 . . . . 66 ILE HD1 . 16320 1 855 . 1 1 66 66 ILE HD12 H 1 0.31 0.02 . 1 . . . . 66 ILE HD1 . 16320 1 856 . 1 1 66 66 ILE HD13 H 1 0.31 0.02 . 1 . . . . 66 ILE HD1 . 16320 1 857 . 1 1 66 66 ILE HG12 H 1 0.9 0.02 . 2 . . . . 66 ILE HG12 . 16320 1 858 . 1 1 66 66 ILE HG13 H 1 0.57 0.02 . 2 . . . . 66 ILE HG13 . 16320 1 859 . 1 1 66 66 ILE HG21 H 1 0.66 0.02 . 1 . . . . 66 ILE HG2 . 16320 1 860 . 1 1 66 66 ILE HG22 H 1 0.66 0.02 . 1 . . . . 66 ILE HG2 . 16320 1 861 . 1 1 66 66 ILE HG23 H 1 0.66 0.02 . 1 . . . . 66 ILE HG2 . 16320 1 862 . 1 1 66 66 ILE C C 13 177 0.2 . 1 . . . . 66 ILE C . 16320 1 863 . 1 1 66 66 ILE CA C 13 64.5 0.2 . 1 . . . . 66 ILE CA . 16320 1 864 . 1 1 66 66 ILE CB C 13 36.7 0.2 . 1 . . . . 66 ILE CB . 16320 1 865 . 1 1 66 66 ILE CD1 C 13 12.9 0.2 . 1 . . . . 66 ILE CD1 . 16320 1 866 . 1 1 66 66 ILE CG1 C 13 27.7 0.2 . 1 . . . . 66 ILE CG1 . 16320 1 867 . 1 1 66 66 ILE CG2 C 13 18 0.2 . 1 . . . . 66 ILE CG2 . 16320 1 868 . 1 1 66 66 ILE N N 15 116.9 0.2 . 1 . . . . 66 ILE N . 16320 1 869 . 1 1 67 67 ALA H H 1 7.66 0.02 . 1 . . . . 67 ALA H . 16320 1 870 . 1 1 67 67 ALA HA H 1 3.94 0.02 . 1 . . . . 67 ALA HA . 16320 1 871 . 1 1 67 67 ALA HB1 H 1 1.56 0.02 . 1 . . . . 67 ALA HB . 16320 1 872 . 1 1 67 67 ALA HB2 H 1 1.56 0.02 . 1 . . . . 67 ALA HB . 16320 1 873 . 1 1 67 67 ALA HB3 H 1 1.56 0.02 . 1 . . . . 67 ALA HB . 16320 1 874 . 1 1 67 67 ALA C C 13 180.2 0.2 . 1 . . . . 67 ALA C . 16320 1 875 . 1 1 67 67 ALA CA C 13 55.6 0.2 . 1 . . . . 67 ALA CA . 16320 1 876 . 1 1 67 67 ALA CB C 13 18 0.2 . 1 . . . . 67 ALA CB . 16320 1 877 . 1 1 67 67 ALA N N 15 120.7 0.2 . 1 . . . . 67 ALA N . 16320 1 878 . 1 1 68 68 GLU H H 1 7.66 0.02 . 1 . . . . 68 GLU H . 16320 1 879 . 1 1 68 68 GLU HA H 1 4.04 0.02 . 1 . . . . 68 GLU HA . 16320 1 880 . 1 1 68 68 GLU HB2 H 1 2.16 0.02 . 2 . . . . 68 GLU HB2 . 16320 1 881 . 1 1 68 68 GLU HB3 H 1 2.09 0.02 . 2 . . . . 68 GLU HB3 . 16320 1 882 . 1 1 68 68 GLU HG2 H 1 2.28 0.02 . 2 . . . . 68 GLU HG2 . 16320 1 883 . 1 1 68 68 GLU HG3 H 1 2.32 0.02 . 2 . . . . 68 GLU HG3 . 16320 1 884 . 1 1 68 68 GLU C C 13 179 0.2 . 1 . . . . 68 GLU C . 16320 1 885 . 1 1 68 68 GLU CA C 13 59.3 0.2 . 1 . . . . 68 GLU CA . 16320 1 886 . 1 1 68 68 GLU CB C 13 29.5 0.2 . 1 . . . . 68 GLU CB . 16320 1 887 . 1 1 68 68 GLU CG C 13 35.7 0.2 . 1 . . . . 68 GLU CG . 16320 1 888 . 1 1 68 68 GLU N N 15 118.7 0.2 . 1 . . . . 68 GLU N . 16320 1 889 . 1 1 69 69 ILE H H 1 8.24 0.02 . 1 . . . . 69 ILE H . 16320 1 890 . 1 1 69 69 ILE HA H 1 3.63 0.02 . 1 . . . . 69 ILE HA . 16320 1 891 . 1 1 69 69 ILE HB H 1 1.86 0.02 . 1 . . . . 69 ILE HB . 16320 1 892 . 1 1 69 69 ILE HD11 H 1 0.39 0.02 . 1 . . . . 69 ILE HD1 . 16320 1 893 . 1 1 69 69 ILE HD12 H 1 0.39 0.02 . 1 . . . . 69 ILE HD1 . 16320 1 894 . 1 1 69 69 ILE HD13 H 1 0.39 0.02 . 1 . . . . 69 ILE HD1 . 16320 1 895 . 1 1 69 69 ILE HG12 H 1 0.79 0.02 . 2 . . . . 69 ILE HG12 . 16320 1 896 . 1 1 69 69 ILE HG13 H 1 1.71 0.02 . 2 . . . . 69 ILE HG13 . 16320 1 897 . 1 1 69 69 ILE HG21 H 1 0.83 0.02 . 1 . . . . 69 ILE HG2 . 16320 1 898 . 1 1 69 69 ILE HG22 H 1 0.83 0.02 . 1 . . . . 69 ILE HG2 . 16320 1 899 . 1 1 69 69 ILE HG23 H 1 0.83 0.02 . 1 . . . . 69 ILE HG2 . 16320 1 900 . 1 1 69 69 ILE C C 13 178.2 0.2 . 1 . . . . 69 ILE C . 16320 1 901 . 1 1 69 69 ILE CA C 13 65.7 0.2 . 1 . . . . 69 ILE CA . 16320 1 902 . 1 1 69 69 ILE CB C 13 38.1 0.2 . 1 . . . . 69 ILE CB . 16320 1 903 . 1 1 69 69 ILE CD1 C 13 13.6 0.2 . 1 . . . . 69 ILE CD1 . 16320 1 904 . 1 1 69 69 ILE CG1 C 13 30.1 0.2 . 1 . . . . 69 ILE CG1 . 16320 1 905 . 1 1 69 69 ILE CG2 C 13 18.5 0.2 . 1 . . . . 69 ILE CG2 . 16320 1 906 . 1 1 69 69 ILE N N 15 120.7 0.2 . 1 . . . . 69 ILE N . 16320 1 907 . 1 1 70 70 LEU H H 1 8.77 0.02 . 1 . . . . 70 LEU H . 16320 1 908 . 1 1 70 70 LEU HA H 1 3.96 0.02 . 1 . . . . 70 LEU HA . 16320 1 909 . 1 1 70 70 LEU HB2 H 1 1.14 0.02 . 2 . . . . 70 LEU HB2 . 16320 1 910 . 1 1 70 70 LEU HB3 H 1 1.96 0.02 . 2 . . . . 70 LEU HB3 . 16320 1 911 . 1 1 70 70 LEU HD11 H 1 0.76 0.02 . 2 . . . . 70 LEU HD1 . 16320 1 912 . 1 1 70 70 LEU HD12 H 1 0.76 0.02 . 2 . . . . 70 LEU HD1 . 16320 1 913 . 1 1 70 70 LEU HD13 H 1 0.76 0.02 . 2 . . . . 70 LEU HD1 . 16320 1 914 . 1 1 70 70 LEU HD21 H 1 0.92 0.02 . 2 . . . . 70 LEU HD2 . 16320 1 915 . 1 1 70 70 LEU HD22 H 1 0.92 0.02 . 2 . . . . 70 LEU HD2 . 16320 1 916 . 1 1 70 70 LEU HD23 H 1 0.92 0.02 . 2 . . . . 70 LEU HD2 . 16320 1 917 . 1 1 70 70 LEU HG H 1 1.77 0.02 . 1 . . . . 70 LEU HG . 16320 1 918 . 1 1 70 70 LEU C C 13 179.3 0.2 . 1 . . . . 70 LEU C . 16320 1 919 . 1 1 70 70 LEU CA C 13 59.1 0.2 . 1 . . . . 70 LEU CA . 16320 1 920 . 1 1 70 70 LEU CB C 13 43 0.2 . 1 . . . . 70 LEU CB . 16320 1 921 . 1 1 70 70 LEU CD1 C 13 26.1 0.2 . 2 . . . . 70 LEU CD1 . 16320 1 922 . 1 1 70 70 LEU CD2 C 13 23.8 0.2 . 2 . . . . 70 LEU CD2 . 16320 1 923 . 1 1 70 70 LEU CG C 13 27 0.2 . 1 . . . . 70 LEU CG . 16320 1 924 . 1 1 70 70 LEU N N 15 119.1 0.2 . 1 . . . . 70 LEU N . 16320 1 925 . 1 1 71 71 GLN H H 1 7.66 0.02 . 1 . . . . 71 GLN H . 16320 1 926 . 1 1 71 71 GLN HA H 1 3.96 0.02 . 1 . . . . 71 GLN HA . 16320 1 927 . 1 1 71 71 GLN HB2 H 1 2.11 0.02 . 2 . . . . 71 GLN HB2 . 16320 1 928 . 1 1 71 71 GLN HB3 H 1 2.18 0.02 . 2 . . . . 71 GLN HB3 . 16320 1 929 . 1 1 71 71 GLN HE21 H 1 6.89 0.02 . 1 . . . . 71 GLN HE21 . 16320 1 930 . 1 1 71 71 GLN HE22 H 1 6.67 0.02 . 1 . . . . 71 GLN HE22 . 16320 1 931 . 1 1 71 71 GLN HG2 H 1 2.06 0.02 . 2 . . . . 71 GLN HG2 . 16320 1 932 . 1 1 71 71 GLN HG3 H 1 2.49 0.02 . 2 . . . . 71 GLN HG3 . 16320 1 933 . 1 1 71 71 GLN C C 13 177.7 0.2 . 1 . . . . 71 GLN C . 16320 1 934 . 1 1 71 71 GLN CA C 13 59.8 0.2 . 1 . . . . 71 GLN CA . 16320 1 935 . 1 1 71 71 GLN CB C 13 30 0.2 . 1 . . . . 71 GLN CB . 16320 1 936 . 1 1 71 71 GLN CG C 13 36.2 0.2 . 1 . . . . 71 GLN CG . 16320 1 937 . 1 1 71 71 GLN N N 15 114.2 0.2 . 1 . . . . 71 GLN N . 16320 1 938 . 1 1 71 71 GLN NE2 N 15 109 0.2 . 1 . . . . 71 GLN NE2 . 16320 1 939 . 1 1 72 72 ARG H H 1 8.18 0.02 . 1 . . . . 72 ARG H . 16320 1 940 . 1 1 72 72 ARG HA H 1 4 0.02 . 1 . . . . 72 ARG HA . 16320 1 941 . 1 1 72 72 ARG HB2 H 1 1.36 0.02 . 2 . . . . 72 ARG HB2 . 16320 1 942 . 1 1 72 72 ARG HB3 H 1 1.78 0.02 . 2 . . . . 72 ARG HB3 . 16320 1 943 . 1 1 72 72 ARG HD2 H 1 2.95 0.02 . 2 . . . . 72 ARG HD2 . 16320 1 944 . 1 1 72 72 ARG HD3 H 1 3.09 0.02 . 2 . . . . 72 ARG HD3 . 16320 1 945 . 1 1 72 72 ARG HG2 H 1 1.47 0.02 . 2 . . . . 72 ARG HG2 . 16320 1 946 . 1 1 72 72 ARG HG3 H 1 0.85 0.02 . 2 . . . . 72 ARG HG3 . 16320 1 947 . 1 1 72 72 ARG C C 13 178.9 0.2 . 1 . . . . 72 ARG C . 16320 1 948 . 1 1 72 72 ARG CA C 13 58.9 0.2 . 1 . . . . 72 ARG CA . 16320 1 949 . 1 1 72 72 ARG CB C 13 31.1 0.2 . 1 . . . . 72 ARG CB . 16320 1 950 . 1 1 72 72 ARG CD C 13 43.7 0.2 . 1 . . . . 72 ARG CD . 16320 1 951 . 1 1 72 72 ARG CG C 13 27.4 0.2 . 1 . . . . 72 ARG CG . 16320 1 952 . 1 1 72 72 ARG N N 15 118.3 0.2 . 1 . . . . 72 ARG N . 16320 1 953 . 1 1 73 73 TYR H H 1 7.97 0.02 . 1 . . . . 73 TYR H . 16320 1 954 . 1 1 73 73 TYR HA H 1 4.8 0.02 . 1 . . . . 73 TYR HA . 16320 1 955 . 1 1 73 73 TYR HB2 H 1 2.76 0.02 . 2 . . . . 73 TYR HB2 . 16320 1 956 . 1 1 73 73 TYR HB3 H 1 3.16 0.02 . 2 . . . . 73 TYR HB3 . 16320 1 957 . 1 1 73 73 TYR HD1 H 1 7.34 0.02 . 1 . . . . 73 TYR HD1 . 16320 1 958 . 1 1 73 73 TYR HD2 H 1 7.34 0.02 . 1 . . . . 73 TYR HD2 . 16320 1 959 . 1 1 73 73 TYR HE1 H 1 6.83 0.02 . 1 . . . . 73 TYR HE1 . 16320 1 960 . 1 1 73 73 TYR HE2 H 1 6.83 0.02 . 1 . . . . 73 TYR HE2 . 16320 1 961 . 1 1 73 73 TYR C C 13 178 0.2 . 1 . . . . 73 TYR C . 16320 1 962 . 1 1 73 73 TYR CA C 13 60.1 0.2 . 1 . . . . 73 TYR CA . 16320 1 963 . 1 1 73 73 TYR CB C 13 41.2 0.2 . 1 . . . . 73 TYR CB . 16320 1 964 . 1 1 73 73 TYR CD1 C 13 133.4 0.2 . 1 . . . . 73 TYR CD1 . 16320 1 965 . 1 1 73 73 TYR CD2 C 13 133.4 0.2 . 1 . . . . 73 TYR CD2 . 16320 1 966 . 1 1 73 73 TYR CE1 C 13 118 0.2 . 1 . . . . 73 TYR CE1 . 16320 1 967 . 1 1 73 73 TYR CE2 C 13 118 0.2 . 1 . . . . 73 TYR CE2 . 16320 1 968 . 1 1 73 73 TYR N N 15 111.5 0.2 . 1 . . . . 73 TYR N . 16320 1 969 . 1 1 74 74 TYR H H 1 8.75 0.02 . 1 . . . . 74 TYR H . 16320 1 970 . 1 1 74 74 TYR HA H 1 4.08 0.02 . 1 . . . . 74 TYR HA . 16320 1 971 . 1 1 74 74 TYR HB2 H 1 2.9 0.02 . 2 . . . . 74 TYR HB2 . 16320 1 972 . 1 1 74 74 TYR HB3 H 1 3.57 0.02 . 2 . . . . 74 TYR HB3 . 16320 1 973 . 1 1 74 74 TYR HD1 H 1 7.29 0.02 . 1 . . . . 74 TYR HD1 . 16320 1 974 . 1 1 74 74 TYR HD2 H 1 7.29 0.02 . 1 . . . . 74 TYR HD2 . 16320 1 975 . 1 1 74 74 TYR HE1 H 1 6.93 0.02 . 1 . . . . 74 TYR HE1 . 16320 1 976 . 1 1 74 74 TYR HE2 H 1 6.93 0.02 . 1 . . . . 74 TYR HE2 . 16320 1 977 . 1 1 74 74 TYR C C 13 176.6 0.2 . 1 . . . . 74 TYR C . 16320 1 978 . 1 1 74 74 TYR CA C 13 62.4 0.2 . 1 . . . . 74 TYR CA . 16320 1 979 . 1 1 74 74 TYR CB C 13 36.1 0.2 . 1 . . . . 74 TYR CB . 16320 1 980 . 1 1 74 74 TYR CD1 C 13 133.6 0.2 . 1 . . . . 74 TYR CD1 . 16320 1 981 . 1 1 74 74 TYR CD2 C 13 133.6 0.2 . 1 . . . . 74 TYR CD2 . 16320 1 982 . 1 1 74 74 TYR CE1 C 13 118.5 0.2 . 1 . . . . 74 TYR CE1 . 16320 1 983 . 1 1 74 74 TYR CE2 C 13 118.5 0.2 . 1 . . . . 74 TYR CE2 . 16320 1 984 . 1 1 74 74 TYR N N 15 121.5 0.2 . 1 . . . . 74 TYR N . 16320 1 985 . 1 1 75 75 LYS H H 1 7.76 0.02 . 1 . . . . 75 LYS H . 16320 1 986 . 1 1 75 75 LYS HA H 1 3.71 0.02 . 1 . . . . 75 LYS HA . 16320 1 987 . 1 1 75 75 LYS HB2 H 1 1.3 0.02 . 2 . . . . 75 LYS HB2 . 16320 1 988 . 1 1 75 75 LYS HB3 H 1 1.55 0.02 . 2 . . . . 75 LYS HB3 . 16320 1 989 . 1 1 75 75 LYS HD2 H 1 1.5 0.02 . 1 . . . . 75 LYS HD2 . 16320 1 990 . 1 1 75 75 LYS HD3 H 1 1.5 0.02 . 1 . . . . 75 LYS HD3 . 16320 1 991 . 1 1 75 75 LYS HE2 H 1 2.97 0.02 . 1 . . . . 75 LYS HE2 . 16320 1 992 . 1 1 75 75 LYS HE3 H 1 2.97 0.02 . 1 . . . . 75 LYS HE3 . 16320 1 993 . 1 1 75 75 LYS HG2 H 1 0.88 0.02 . 1 . . . . 75 LYS HG2 . 16320 1 994 . 1 1 75 75 LYS HG3 H 1 0.88 0.02 . 1 . . . . 75 LYS HG3 . 16320 1 995 . 1 1 75 75 LYS C C 13 177.5 0.2 . 1 . . . . 75 LYS C . 16320 1 996 . 1 1 75 75 LYS CA C 13 57.6 0.2 . 1 . . . . 75 LYS CA . 16320 1 997 . 1 1 75 75 LYS CB C 13 31.8 0.2 . 1 . . . . 75 LYS CB . 16320 1 998 . 1 1 75 75 LYS CD C 13 28.9 0.2 . 1 . . . . 75 LYS CD . 16320 1 999 . 1 1 75 75 LYS CE C 13 42 0.2 . 1 . . . . 75 LYS CE . 16320 1 1000 . 1 1 75 75 LYS CG C 13 24.8 0.2 . 1 . . . . 75 LYS CG . 16320 1 1001 . 1 1 75 75 LYS N N 15 120.3 0.2 . 1 . . . . 75 LYS N . 16320 1 1002 . 1 1 76 76 LYS H H 1 7.51 0.02 . 1 . . . . 76 LYS H . 16320 1 1003 . 1 1 76 76 LYS HA H 1 4.23 0.02 . 1 . . . . 76 LYS HA . 16320 1 1004 . 1 1 76 76 LYS HB2 H 1 1.99 0.02 . 1 . . . . 76 LYS HB2 . 16320 1 1005 . 1 1 76 76 LYS HB3 H 1 1.99 0.02 . 1 . . . . 76 LYS HB3 . 16320 1 1006 . 1 1 76 76 LYS HD2 H 1 1.75 0.02 . 1 . . . . 76 LYS HD2 . 16320 1 1007 . 1 1 76 76 LYS HD3 H 1 1.75 0.02 . 1 . . . . 76 LYS HD3 . 16320 1 1008 . 1 1 76 76 LYS HE2 H 1 3.01 0.02 . 1 . . . . 76 LYS HE2 . 16320 1 1009 . 1 1 76 76 LYS HE3 H 1 3.01 0.02 . 1 . . . . 76 LYS HE3 . 16320 1 1010 . 1 1 76 76 LYS HG2 H 1 1.58 0.02 . 1 . . . . 76 LYS HG2 . 16320 1 1011 . 1 1 76 76 LYS HG3 H 1 1.58 0.02 . 1 . . . . 76 LYS HG3 . 16320 1 1012 . 1 1 76 76 LYS C C 13 177.9 0.2 . 1 . . . . 76 LYS C . 16320 1 1013 . 1 1 76 76 LYS CA C 13 58.3 0.2 . 1 . . . . 76 LYS CA . 16320 1 1014 . 1 1 76 76 LYS CB C 13 33.7 0.2 . 1 . . . . 76 LYS CB . 16320 1 1015 . 1 1 76 76 LYS CD C 13 29.3 0.2 . 1 . . . . 76 LYS CD . 16320 1 1016 . 1 1 76 76 LYS CE C 13 42.2 0.2 . 1 . . . . 76 LYS CE . 16320 1 1017 . 1 1 76 76 LYS CG C 13 25.2 0.2 . 1 . . . . 76 LYS CG . 16320 1 1018 . 1 1 76 76 LYS N N 15 118 0.2 . 1 . . . . 76 LYS N . 16320 1 1019 . 1 1 77 77 ILE H H 1 7.61 0.02 . 1 . . . . 77 ILE H . 16320 1 1020 . 1 1 77 77 ILE HA H 1 4.67 0.02 . 1 . . . . 77 ILE HA . 16320 1 1021 . 1 1 77 77 ILE HB H 1 2.18 0.02 . 1 . . . . 77 ILE HB . 16320 1 1022 . 1 1 77 77 ILE HD11 H 1 0.67 0.02 . 1 . . . . 77 ILE HD1 . 16320 1 1023 . 1 1 77 77 ILE HD12 H 1 0.67 0.02 . 1 . . . . 77 ILE HD1 . 16320 1 1024 . 1 1 77 77 ILE HD13 H 1 0.67 0.02 . 1 . . . . 77 ILE HD1 . 16320 1 1025 . 1 1 77 77 ILE HG12 H 1 1.56 0.02 . 2 . . . . 77 ILE HG12 . 16320 1 1026 . 1 1 77 77 ILE HG13 H 1 1.21 0.02 . 2 . . . . 77 ILE HG13 . 16320 1 1027 . 1 1 77 77 ILE HG21 H 1 0.92 0.02 . 1 . . . . 77 ILE HG2 . 16320 1 1028 . 1 1 77 77 ILE HG22 H 1 0.92 0.02 . 1 . . . . 77 ILE HG2 . 16320 1 1029 . 1 1 77 77 ILE HG23 H 1 0.92 0.02 . 1 . . . . 77 ILE HG2 . 16320 1 1030 . 1 1 77 77 ILE C C 13 176 0.2 . 1 . . . . 77 ILE C . 16320 1 1031 . 1 1 77 77 ILE CA C 13 60.6 0.2 . 1 . . . . 77 ILE CA . 16320 1 1032 . 1 1 77 77 ILE CB C 13 39.7 0.2 . 1 . . . . 77 ILE CB . 16320 1 1033 . 1 1 77 77 ILE CD1 C 13 13.2 0.2 . 1 . . . . 77 ILE CD1 . 16320 1 1034 . 1 1 77 77 ILE CG1 C 13 26.3 0.2 . 1 . . . . 77 ILE CG1 . 16320 1 1035 . 1 1 77 77 ILE CG2 C 13 17.8 0.2 . 1 . . . . 77 ILE CG2 . 16320 1 1036 . 1 1 77 77 ILE N N 15 108.2 0.2 . 1 . . . . 77 ILE N . 16320 1 1037 . 1 1 78 78 GLY H H 1 7.39 0.02 . 1 . . . . 78 GLY H . 16320 1 1038 . 1 1 78 78 GLY HA2 H 1 4.73 0.02 . 2 . . . . 78 GLY HA2 . 16320 1 1039 . 1 1 78 78 GLY HA3 H 1 3.97 0.02 . 2 . . . . 78 GLY HA3 . 16320 1 1040 . 1 1 78 78 GLY C C 13 175.8 0.2 . 1 . . . . 78 GLY C . 16320 1 1041 . 1 1 78 78 GLY CA C 13 44.9 0.2 . 1 . . . . 78 GLY CA . 16320 1 1042 . 1 1 78 78 GLY N N 15 112.2 0.2 . 1 . . . . 78 GLY N . 16320 1 1043 . 1 1 79 79 ILE H H 1 9.03 0.02 . 1 . . . . 79 ILE H . 16320 1 1044 . 1 1 79 79 ILE HA H 1 4.08 0.02 . 1 . . . . 79 ILE HA . 16320 1 1045 . 1 1 79 79 ILE HB H 1 1.94 0.02 . 1 . . . . 79 ILE HB . 16320 1 1046 . 1 1 79 79 ILE HD11 H 1 0.85 0.02 . 1 . . . . 79 ILE HD1 . 16320 1 1047 . 1 1 79 79 ILE HD12 H 1 0.85 0.02 . 1 . . . . 79 ILE HD1 . 16320 1 1048 . 1 1 79 79 ILE HD13 H 1 0.85 0.02 . 1 . . . . 79 ILE HD1 . 16320 1 1049 . 1 1 79 79 ILE HG12 H 1 1.41 0.02 . 2 . . . . 79 ILE HG12 . 16320 1 1050 . 1 1 79 79 ILE HG13 H 1 1.29 0.02 . 2 . . . . 79 ILE HG13 . 16320 1 1051 . 1 1 79 79 ILE HG21 H 1 1.16 0.02 . 1 . . . . 79 ILE HG2 . 16320 1 1052 . 1 1 79 79 ILE HG22 H 1 1.16 0.02 . 1 . . . . 79 ILE HG2 . 16320 1 1053 . 1 1 79 79 ILE HG23 H 1 1.16 0.02 . 1 . . . . 79 ILE HG2 . 16320 1 1054 . 1 1 79 79 ILE C C 13 174.7 0.2 . 1 . . . . 79 ILE C . 16320 1 1055 . 1 1 79 79 ILE CA C 13 62.9 0.2 . 1 . . . . 79 ILE CA . 16320 1 1056 . 1 1 79 79 ILE CB C 13 38.6 0.2 . 1 . . . . 79 ILE CB . 16320 1 1057 . 1 1 79 79 ILE CD1 C 13 15 0.2 . 1 . . . . 79 ILE CD1 . 16320 1 1058 . 1 1 79 79 ILE CG1 C 13 29.7 0.2 . 1 . . . . 79 ILE CG1 . 16320 1 1059 . 1 1 79 79 ILE CG2 C 13 18.6 0.2 . 1 . . . . 79 ILE CG2 . 16320 1 1060 . 1 1 79 79 ILE N N 15 125.7 0.2 . 1 . . . . 79 ILE N . 16320 1 1061 . 1 1 80 80 GLU H H 1 9.48 0.02 . 1 . . . . 80 GLU H . 16320 1 1062 . 1 1 80 80 GLU HA H 1 4.07 0.02 . 1 . . . . 80 GLU HA . 16320 1 1063 . 1 1 80 80 GLU HB2 H 1 2.08 0.02 . 2 . . . . 80 GLU HB2 . 16320 1 1064 . 1 1 80 80 GLU HB3 H 1 2.02 0.02 . 2 . . . . 80 GLU HB3 . 16320 1 1065 . 1 1 80 80 GLU HG2 H 1 2.34 0.02 . 1 . . . . 80 GLU HG2 . 16320 1 1066 . 1 1 80 80 GLU HG3 H 1 2.34 0.02 . 1 . . . . 80 GLU HG3 . 16320 1 1067 . 1 1 80 80 GLU C C 13 179.2 0.2 . 1 . . . . 80 GLU C . 16320 1 1068 . 1 1 80 80 GLU CA C 13 59.7 0.2 . 1 . . . . 80 GLU CA . 16320 1 1069 . 1 1 80 80 GLU CB C 13 28.1 0.2 . 1 . . . . 80 GLU CB . 16320 1 1070 . 1 1 80 80 GLU CG C 13 36.2 0.2 . 1 . . . . 80 GLU CG . 16320 1 1071 . 1 1 80 80 GLU N N 15 122.4 0.2 . 1 . . . . 80 GLU N . 16320 1 1072 . 1 1 81 81 ASN H H 1 7.57 0.02 . 1 . . . . 81 ASN H . 16320 1 1073 . 1 1 81 81 ASN HA H 1 4.58 0.02 . 1 . . . . 81 ASN HA . 16320 1 1074 . 1 1 81 81 ASN HB2 H 1 2.58 0.02 . 2 . . . . 81 ASN HB2 . 16320 1 1075 . 1 1 81 81 ASN HB3 H 1 2.82 0.02 . 2 . . . . 81 ASN HB3 . 16320 1 1076 . 1 1 81 81 ASN HD21 H 1 7.95 0.02 . 2 . . . . 81 ASN HD21 . 16320 1 1077 . 1 1 81 81 ASN HD22 H 1 7.04 0.02 . 2 . . . . 81 ASN HD22 . 16320 1 1078 . 1 1 81 81 ASN C C 13 177.6 0.2 . 1 . . . . 81 ASN C . 16320 1 1079 . 1 1 81 81 ASN CA C 13 55.6 0.2 . 1 . . . . 81 ASN CA . 16320 1 1080 . 1 1 81 81 ASN CB C 13 37.9 0.2 . 1 . . . . 81 ASN CB . 16320 1 1081 . 1 1 81 81 ASN N N 15 117 0.2 . 1 . . . . 81 ASN N . 16320 1 1082 . 1 1 81 81 ASN ND2 N 15 113.6 0.2 . 1 . . . . 81 ASN ND2 . 16320 1 1083 . 1 1 82 82 VAL H H 1 8.18 0.02 . 1 . . . . 82 VAL H . 16320 1 1084 . 1 1 82 82 VAL HA H 1 3.59 0.02 . 1 . . . . 82 VAL HA . 16320 1 1085 . 1 1 82 82 VAL HB H 1 2.11 0.02 . 1 . . . . 82 VAL HB . 16320 1 1086 . 1 1 82 82 VAL HG11 H 1 1.12 0.02 . 2 . . . . 82 VAL HG1 . 16320 1 1087 . 1 1 82 82 VAL HG12 H 1 1.12 0.02 . 2 . . . . 82 VAL HG1 . 16320 1 1088 . 1 1 82 82 VAL HG13 H 1 1.12 0.02 . 2 . . . . 82 VAL HG1 . 16320 1 1089 . 1 1 82 82 VAL HG21 H 1 1.01 0.02 . 2 . . . . 82 VAL HG2 . 16320 1 1090 . 1 1 82 82 VAL HG22 H 1 1.01 0.02 . 2 . . . . 82 VAL HG2 . 16320 1 1091 . 1 1 82 82 VAL HG23 H 1 1.01 0.02 . 2 . . . . 82 VAL HG2 . 16320 1 1092 . 1 1 82 82 VAL C C 13 176.9 0.2 . 1 . . . . 82 VAL C . 16320 1 1093 . 1 1 82 82 VAL CA C 13 66.8 0.2 . 1 . . . . 82 VAL CA . 16320 1 1094 . 1 1 82 82 VAL CB C 13 31.1 0.2 . 1 . . . . 82 VAL CB . 16320 1 1095 . 1 1 82 82 VAL CG1 C 13 23 0.2 . 2 . . . . 82 VAL CG1 . 16320 1 1096 . 1 1 82 82 VAL CG2 C 13 24.2 0.2 . 2 . . . . 82 VAL CG2 . 16320 1 1097 . 1 1 82 82 VAL N N 15 120.9 0.2 . 1 . . . . 82 VAL N . 16320 1 1098 . 1 1 83 83 ASN H H 1 8.44 0.02 . 1 . . . . 83 ASN H . 16320 1 1099 . 1 1 83 83 ASN HA H 1 4.44 0.02 . 1 . . . . 83 ASN HA . 16320 1 1100 . 1 1 83 83 ASN HB2 H 1 2.51 0.02 . 2 . . . . 83 ASN HB2 . 16320 1 1101 . 1 1 83 83 ASN HB3 H 1 2.94 0.02 . 2 . . . . 83 ASN HB3 . 16320 1 1102 . 1 1 83 83 ASN HD21 H 1 7.59 0.02 . 1 . . . . 83 ASN HD21 . 16320 1 1103 . 1 1 83 83 ASN HD22 H 1 7.59 0.02 . 1 . . . . 83 ASN HD22 . 16320 1 1104 . 1 1 83 83 ASN C C 13 177.7 0.2 . 1 . . . . 83 ASN C . 16320 1 1105 . 1 1 83 83 ASN CA C 13 56 0.2 . 1 . . . . 83 ASN CA . 16320 1 1106 . 1 1 83 83 ASN CB C 13 37 0.2 . 1 . . . . 83 ASN CB . 16320 1 1107 . 1 1 83 83 ASN N N 15 120.5 0.2 . 1 . . . . 83 ASN N . 16320 1 1108 . 1 1 83 83 ASN ND2 N 15 102.6 0.2 . 1 . . . . 83 ASN ND2 . 16320 1 1109 . 1 1 84 84 GLN H H 1 7.55 0.02 . 1 . . . . 84 GLN H . 16320 1 1110 . 1 1 84 84 GLN HA H 1 4.05 0.02 . 1 . . . . 84 GLN HA . 16320 1 1111 . 1 1 84 84 GLN HB2 H 1 2.22 0.02 . 1 . . . . 84 GLN HB2 . 16320 1 1112 . 1 1 84 84 GLN HB3 H 1 2.22 0.02 . 1 . . . . 84 GLN HB3 . 16320 1 1113 . 1 1 84 84 GLN HE21 H 1 7.54 0.02 . 1 . . . . 84 GLN HE21 . 16320 1 1114 . 1 1 84 84 GLN HE22 H 1 6.8 0.02 . 1 . . . . 84 GLN HE22 . 16320 1 1115 . 1 1 84 84 GLN HG2 H 1 2.5 0.02 . 1 . . . . 84 GLN HG2 . 16320 1 1116 . 1 1 84 84 GLN HG3 H 1 2.5 0.02 . 1 . . . . 84 GLN HG3 . 16320 1 1117 . 1 1 84 84 GLN C C 13 179 0.2 . 1 . . . . 84 GLN C . 16320 1 1118 . 1 1 84 84 GLN CA C 13 58.9 0.2 . 1 . . . . 84 GLN CA . 16320 1 1119 . 1 1 84 84 GLN CB C 13 28.3 0.2 . 1 . . . . 84 GLN CB . 16320 1 1120 . 1 1 84 84 GLN CG C 13 33.9 0.2 . 1 . . . . 84 GLN CG . 16320 1 1121 . 1 1 84 84 GLN N N 15 116.9 0.2 . 1 . . . . 84 GLN N . 16320 1 1122 . 1 1 84 84 GLN NE2 N 15 112.5 0.2 . 1 . . . . 84 GLN NE2 . 16320 1 1123 . 1 1 85 85 LEU H H 1 7.99 0.02 . 1 . . . . 85 LEU H . 16320 1 1124 . 1 1 85 85 LEU HA H 1 4.08 0.02 . 1 . . . . 85 LEU HA . 16320 1 1125 . 1 1 85 85 LEU HB2 H 1 1.3 0.02 . 2 . . . . 85 LEU HB2 . 16320 1 1126 . 1 1 85 85 LEU HB3 H 1 1.94 0.02 . 2 . . . . 85 LEU HB3 . 16320 1 1127 . 1 1 85 85 LEU HD11 H 1 0.55 0.02 . 2 . . . . 85 LEU HD1 . 16320 1 1128 . 1 1 85 85 LEU HD12 H 1 0.55 0.02 . 2 . . . . 85 LEU HD1 . 16320 1 1129 . 1 1 85 85 LEU HD13 H 1 0.55 0.02 . 2 . . . . 85 LEU HD1 . 16320 1 1130 . 1 1 85 85 LEU HD21 H 1 0.64 0.02 . 2 . . . . 85 LEU HD2 . 16320 1 1131 . 1 1 85 85 LEU HD22 H 1 0.64 0.02 . 2 . . . . 85 LEU HD2 . 16320 1 1132 . 1 1 85 85 LEU HD23 H 1 0.64 0.02 . 2 . . . . 85 LEU HD2 . 16320 1 1133 . 1 1 85 85 LEU HG H 1 1.5 0.02 . 1 . . . . 85 LEU HG . 16320 1 1134 . 1 1 85 85 LEU C C 13 180.4 0.2 . 1 . . . . 85 LEU C . 16320 1 1135 . 1 1 85 85 LEU CA C 13 58.2 0.2 . 1 . . . . 85 LEU CA . 16320 1 1136 . 1 1 85 85 LEU CB C 13 41.7 0.2 . 1 . . . . 85 LEU CB . 16320 1 1137 . 1 1 85 85 LEU CD1 C 13 25.4 0.2 . 2 . . . . 85 LEU CD1 . 16320 1 1138 . 1 1 85 85 LEU CD2 C 13 22.8 0.2 . 2 . . . . 85 LEU CD2 . 16320 1 1139 . 1 1 85 85 LEU CG C 13 26.6 0.2 . 1 . . . . 85 LEU CG . 16320 1 1140 . 1 1 85 85 LEU N N 15 121.3 0.2 . 1 . . . . 85 LEU N . 16320 1 1141 . 1 1 86 86 ILE H H 1 8.63 0.02 . 1 . . . . 86 ILE H . 16320 1 1142 . 1 1 86 86 ILE HA H 1 3.56 0.02 . 1 . . . . 86 ILE HA . 16320 1 1143 . 1 1 86 86 ILE HB H 1 2.06 0.02 . 1 . . . . 86 ILE HB . 16320 1 1144 . 1 1 86 86 ILE HD11 H 1 0.89 0.02 . 1 . . . . 86 ILE HD1 . 16320 1 1145 . 1 1 86 86 ILE HD12 H 1 0.89 0.02 . 1 . . . . 86 ILE HD1 . 16320 1 1146 . 1 1 86 86 ILE HD13 H 1 0.89 0.02 . 1 . . . . 86 ILE HD1 . 16320 1 1147 . 1 1 86 86 ILE HG12 H 1 2.06 0.02 . 2 . . . . 86 ILE HG12 . 16320 1 1148 . 1 1 86 86 ILE HG13 H 1 0.75 0.02 . 2 . . . . 86 ILE HG13 . 16320 1 1149 . 1 1 86 86 ILE HG21 H 1 0.77 0.02 . 1 . . . . 86 ILE HG2 . 16320 1 1150 . 1 1 86 86 ILE HG22 H 1 0.77 0.02 . 1 . . . . 86 ILE HG2 . 16320 1 1151 . 1 1 86 86 ILE HG23 H 1 0.77 0.02 . 1 . . . . 86 ILE HG2 . 16320 1 1152 . 1 1 86 86 ILE C C 13 177.7 0.2 . 1 . . . . 86 ILE C . 16320 1 1153 . 1 1 86 86 ILE CA C 13 66.6 0.2 . 1 . . . . 86 ILE CA . 16320 1 1154 . 1 1 86 86 ILE CB C 13 37.8 0.2 . 1 . . . . 86 ILE CB . 16320 1 1155 . 1 1 86 86 ILE CD1 C 13 14.5 0.2 . 1 . . . . 86 ILE CD1 . 16320 1 1156 . 1 1 86 86 ILE CG1 C 13 29.5 0.2 . 1 . . . . 86 ILE CG1 . 16320 1 1157 . 1 1 86 86 ILE CG2 C 13 17.1 0.2 . 1 . . . . 86 ILE CG2 . 16320 1 1158 . 1 1 86 86 ILE N N 15 122 0.2 . 1 . . . . 86 ILE N . 16320 1 1159 . 1 1 87 87 LEU H H 1 8.2 0.02 . 1 . . . . 87 LEU H . 16320 1 1160 . 1 1 87 87 LEU HA H 1 4.01 0.02 . 1 . . . . 87 LEU HA . 16320 1 1161 . 1 1 87 87 LEU HB2 H 1 1.6 0.02 . 2 . . . . 87 LEU HB2 . 16320 1 1162 . 1 1 87 87 LEU HB3 H 1 1.97 0.02 . 2 . . . . 87 LEU HB3 . 16320 1 1163 . 1 1 87 87 LEU HD11 H 1 0.4 0.02 . 2 . . . . 87 LEU HD1 . 16320 1 1164 . 1 1 87 87 LEU HD12 H 1 0.4 0.02 . 2 . . . . 87 LEU HD1 . 16320 1 1165 . 1 1 87 87 LEU HD13 H 1 0.4 0.02 . 2 . . . . 87 LEU HD1 . 16320 1 1166 . 1 1 87 87 LEU HD21 H 1 0.83 0.02 . 2 . . . . 87 LEU HD2 . 16320 1 1167 . 1 1 87 87 LEU HD22 H 1 0.83 0.02 . 2 . . . . 87 LEU HD2 . 16320 1 1168 . 1 1 87 87 LEU HD23 H 1 0.83 0.02 . 2 . . . . 87 LEU HD2 . 16320 1 1169 . 1 1 87 87 LEU HG H 1 1.78 0.02 . 1 . . . . 87 LEU HG . 16320 1 1170 . 1 1 87 87 LEU C C 13 179 0.2 . 1 . . . . 87 LEU C . 16320 1 1171 . 1 1 87 87 LEU CA C 13 58.2 0.2 . 1 . . . . 87 LEU CA . 16320 1 1172 . 1 1 87 87 LEU CB C 13 40.8 0.2 . 1 . . . . 87 LEU CB . 16320 1 1173 . 1 1 87 87 LEU CD1 C 13 22.2 0.2 . 2 . . . . 87 LEU CD1 . 16320 1 1174 . 1 1 87 87 LEU CD2 C 13 25.8 0.2 . 2 . . . . 87 LEU CD2 . 16320 1 1175 . 1 1 87 87 LEU CG C 13 26.3 0.2 . 1 . . . . 87 LEU CG . 16320 1 1176 . 1 1 87 87 LEU N N 15 118.3 0.2 . 1 . . . . 87 LEU N . 16320 1 1177 . 1 1 88 88 THR H H 1 8.42 0.02 . 1 . . . . 88 THR H . 16320 1 1178 . 1 1 88 88 THR HA H 1 4 0.02 . 1 . . . . 88 THR HA . 16320 1 1179 . 1 1 88 88 THR HB H 1 4.31 0.02 . 1 . . . . 88 THR HB . 16320 1 1180 . 1 1 88 88 THR HG21 H 1 1.33 0.02 . 1 . . . . 88 THR HG2 . 16320 1 1181 . 1 1 88 88 THR HG22 H 1 1.33 0.02 . 1 . . . . 88 THR HG2 . 16320 1 1182 . 1 1 88 88 THR HG23 H 1 1.33 0.02 . 1 . . . . 88 THR HG2 . 16320 1 1183 . 1 1 88 88 THR C C 13 176.3 0.2 . 1 . . . . 88 THR C . 16320 1 1184 . 1 1 88 88 THR CA C 13 66.5 0.2 . 1 . . . . 88 THR CA . 16320 1 1185 . 1 1 88 88 THR CB C 13 69.4 0.2 . 1 . . . . 88 THR CB . 16320 1 1186 . 1 1 88 88 THR CG2 C 13 21.6 0.2 . 1 . . . . 88 THR CG2 . 16320 1 1187 . 1 1 88 88 THR N N 15 112.7 0.2 . 1 . . . . 88 THR N . 16320 1 1188 . 1 1 89 89 THR H H 1 7.69 0.02 . 1 . . . . 89 THR H . 16320 1 1189 . 1 1 89 89 THR HA H 1 4.04 0.02 . 1 . . . . 89 THR HA . 16320 1 1190 . 1 1 89 89 THR HB H 1 4.41 0.02 . 1 . . . . 89 THR HB . 16320 1 1191 . 1 1 89 89 THR HG21 H 1 1.22 0.02 . 1 . . . . 89 THR HG2 . 16320 1 1192 . 1 1 89 89 THR HG22 H 1 1.22 0.02 . 1 . . . . 89 THR HG2 . 16320 1 1193 . 1 1 89 89 THR HG23 H 1 1.22 0.02 . 1 . . . . 89 THR HG2 . 16320 1 1194 . 1 1 89 89 THR C C 13 175.5 0.2 . 1 . . . . 89 THR C . 16320 1 1195 . 1 1 89 89 THR CA C 13 67.1 0.2 . 1 . . . . 89 THR CA . 16320 1 1196 . 1 1 89 89 THR CB C 13 68.5 0.2 . 1 . . . . 89 THR CB . 16320 1 1197 . 1 1 89 89 THR CG2 C 13 22.1 0.2 . 1 . . . . 89 THR CG2 . 16320 1 1198 . 1 1 89 89 THR N N 15 116.6 0.2 . 1 . . . . 89 THR N . 16320 1 1199 . 1 1 90 90 ILE H H 1 8.33 0.02 . 1 . . . . 90 ILE H . 16320 1 1200 . 1 1 90 90 ILE HA H 1 4.42 0.02 . 1 . . . . 90 ILE HA . 16320 1 1201 . 1 1 90 90 ILE HB H 1 2.26 0.02 . 1 . . . . 90 ILE HB . 16320 1 1202 . 1 1 90 90 ILE HD11 H 1 0.92 0.02 . 1 . . . . 90 ILE HD1 . 16320 1 1203 . 1 1 90 90 ILE HD12 H 1 0.92 0.02 . 1 . . . . 90 ILE HD1 . 16320 1 1204 . 1 1 90 90 ILE HD13 H 1 0.92 0.02 . 1 . . . . 90 ILE HD1 . 16320 1 1205 . 1 1 90 90 ILE HG12 H 1 1.68 0.02 . 1 . . . . 90 ILE HG12 . 16320 1 1206 . 1 1 90 90 ILE HG13 H 1 1.68 0.02 . 1 . . . . 90 ILE HG13 . 16320 1 1207 . 1 1 90 90 ILE HG21 H 1 1 0.02 . 1 . . . . 90 ILE HG2 . 16320 1 1208 . 1 1 90 90 ILE HG22 H 1 1 0.02 . 1 . . . . 90 ILE HG2 . 16320 1 1209 . 1 1 90 90 ILE HG23 H 1 1 0.02 . 1 . . . . 90 ILE HG2 . 16320 1 1210 . 1 1 90 90 ILE C C 13 175.7 0.2 . 1 . . . . 90 ILE C . 16320 1 1211 . 1 1 90 90 ILE CA C 13 62 0.2 . 1 . . . . 90 ILE CA . 16320 1 1212 . 1 1 90 90 ILE CB C 13 38.5 0.2 . 1 . . . . 90 ILE CB . 16320 1 1213 . 1 1 90 90 ILE CD1 C 13 15.3 0.2 . 1 . . . . 90 ILE CD1 . 16320 1 1214 . 1 1 90 90 ILE CG1 C 13 26.3 0.2 . 1 . . . . 90 ILE CG1 . 16320 1 1215 . 1 1 90 90 ILE CG2 C 13 18.6 0.2 . 1 . . . . 90 ILE CG2 . 16320 1 1216 . 1 1 90 90 ILE N N 15 125.3 0.2 . 1 . . . . 90 ILE N . 16320 1 1217 . 1 1 91 91 LYS H H 1 7.45 0.02 . 1 . . . . 91 LYS H . 16320 1 1218 . 1 1 91 91 LYS HA H 1 3.97 0.02 . 1 . . . . 91 LYS HA . 16320 1 1219 . 1 1 91 91 LYS HB2 H 1 1.77 0.02 . 1 . . . . 91 LYS HB2 . 16320 1 1220 . 1 1 91 91 LYS HB3 H 1 1.77 0.02 . 1 . . . . 91 LYS HB3 . 16320 1 1221 . 1 1 91 91 LYS HD2 H 1 1.4 0.02 . 1 . . . . 91 LYS HD2 . 16320 1 1222 . 1 1 91 91 LYS HD3 H 1 1.4 0.02 . 1 . . . . 91 LYS HD3 . 16320 1 1223 . 1 1 91 91 LYS HE2 H 1 2.68 0.02 . 1 . . . . 91 LYS HE2 . 16320 1 1224 . 1 1 91 91 LYS HE3 H 1 2.68 0.02 . 1 . . . . 91 LYS HE3 . 16320 1 1225 . 1 1 91 91 LYS HG2 H 1 1.18 0.02 . 1 . . . . 91 LYS HG2 . 16320 1 1226 . 1 1 91 91 LYS HG3 H 1 1.18 0.02 . 1 . . . . 91 LYS HG3 . 16320 1 1227 . 1 1 91 91 LYS CA C 13 57.2 0.2 . 1 . . . . 91 LYS CA . 16320 1 1228 . 1 1 91 91 LYS CB C 13 32.9 0.2 . 1 . . . . 91 LYS CB . 16320 1 1229 . 1 1 91 91 LYS CD C 13 29.3 0.2 . 1 . . . . 91 LYS CD . 16320 1 1230 . 1 1 91 91 LYS CE C 13 41.9 0.2 . 1 . . . . 91 LYS CE . 16320 1 1231 . 1 1 91 91 LYS CG C 13 24.4 0.2 . 1 . . . . 91 LYS CG . 16320 1 1232 . 1 1 91 91 LYS N N 15 123.6 0.2 . 1 . . . . 91 LYS N . 16320 1 stop_ save_