data_16981 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16981 _Entry.Title ; NMR Structure of the SARS Coronavirus Nonstructural Protein Nsp7 in Solution at pH 6.5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-06-07 _Entry.Accession_date 2010-06-07 _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 Margaret Johnson N. A. . 16981 2 Kristaps Jaudzems . . . 16981 3 Kurt Wuthrich . . . 16981 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 . 'PSI, Protein Structure Initiative' 'Joint Center for Structural Genomics' . 16981 . 'PSI, Protein Structure Initiative' 'Functional and Structural Proteomics of the SARS Coronavirus' . 16981 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'conformational polymorphism' . 16981 coronavirus . 16981 nsp7 . 16981 'severe acute respiratory syndrome (SARS)' . 16981 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16981 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 293 16981 '15N chemical shifts' 93 16981 '1H chemical shifts' 630 16981 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 . . 2010-09-23 2010-06-07 update BMRB 'complete entry citation' 16981 2 . . 2010-09-23 2010-06-07 update BMRB 'update entry citation' 16981 1 . . 2010-07-08 2010-06-07 original author 'Original release' 16981 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 16981 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20709084 _Citation.Full_citation . _Citation.Title 'NMR Structure of the SARS-CoV Nonstructural Protein 7 in Solution at pH6.5.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 402 _Citation.Journal_issue 4 _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 619 _Citation.Page_last 628 _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 Margaret Johnson . A. . 16981 1 2 Kristaps Jaudzems . . . 16981 1 3 Kurt Wuthrich . . . 16981 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16981 _Assembly.ID 1 _Assembly.Name 'SARS Coronavirus Nonstructural Protein Nsp7' _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 nsp7 1 $nsp7 A . yes native no no . . . 16981 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_nsp7 _Entity.Sf_category entity _Entity.Sf_framecode nsp7 _Entity.Entry_ID 16981 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name nsp7 _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 ; GHSKMSDVKCTSVVLLSVLQ QLRVESSSKLWAQCVQLHND ILLAKDTTEAFEKMVSLLSV LLSMQGAVDINRLCEEMLDN RATLQ ; _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 85 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9472.080 _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 1YSY . "Nmr Structure Of The Nonstructural Protein 7 (Nsp7) From The Sars Coronavirus" . . . . . 100.00 85 100.00 100.00 1.01e-51 . . . . 16981 1 2 no PDB 2AHM . "Crystal Structure Of Sars-Cov Super Complex Of Non-Structural Proteins: The Hexadecamer" . . . . . 100.00 88 98.82 98.82 2.01e-50 . . . . 16981 1 3 no PDB 2KYS . "Nmr Structure Of The Sars Coronavirus Nonstructural Protein Nsp7 In Solution At Ph 6.5" . . . . . 100.00 85 100.00 100.00 1.01e-51 . . . . 16981 1 4 no DBJ BAC81346 . "polyprotein 1ab [SARS coronavirus TWH]" . . . . . 98.82 7073 98.81 98.81 4.33e-45 . . . . 16981 1 5 no DBJ BAC81347 . "polyprotein 1a [SARS coronavirus TWH]" . . . . . 98.82 4382 98.81 98.81 1.87e-44 . . . . 16981 1 6 no DBJ BAC81360 . "polyprotein 1ab [SARS coronavirus TWJ]" . . . . . 98.82 7073 98.81 98.81 4.33e-45 . . . . 16981 1 7 no DBJ BAC81361 . "polyprotein 1a [SARS coronavirus TWJ]" . . . . . 98.82 4382 98.81 98.81 1.87e-44 . . . . 16981 1 8 no DBJ BAC81374 . "polyprotein 1ab [SARS coronavirus TWK]" . . . . . 98.82 7073 98.81 98.81 4.33e-45 . . . . 16981 1 9 no GB AAP13439 . "nonstructural polyprotein pp1a [SARS coronavirus Urbani]" . . . . . 98.82 4382 98.81 98.81 1.87e-44 . . . . 16981 1 10 no GB AAP13442 . "nonstructural polyprotein pp1ab [SARS coronavirus Urbani]" . . . . . 98.82 7073 98.81 98.81 4.33e-45 . . . . 16981 1 11 no GB AAP13566 . "putative orf1ab polyprotein [SARS coronavirus CUHK-W1]" . . . . . 98.82 7073 98.81 98.81 4.33e-45 . . . . 16981 1 12 no GB AAP13575 . "orf1a polyprotein [SARS coronavirus CUHK-W1]" . . . . . 98.82 4382 98.81 98.81 1.83e-44 . . . . 16981 1 13 no GB AAP30028 . "orf1ab [SARS coronavirus BJ01]" . . . . . 98.82 7073 98.81 98.81 4.33e-45 . . . . 16981 1 14 no REF NP_828849 . "orf1ab polyprotein (pp1ab) [SARS coronavirus]" . . . . . 98.82 7073 98.81 98.81 4.33e-45 . . . . 16981 1 15 no REF NP_828850 . "orf1a polyprotein (pp1a) [SARS coronavirus]" . . . . . 98.82 4382 98.81 98.81 1.87e-44 . . . . 16981 1 16 no REF NP_828865 . "nsp7-pp1a/pp1ab [SARS coronavirus]" . . . . . 97.65 83 100.00 100.00 1.87e-49 . . . . 16981 1 17 no SP P0C6F5 . "RecName: Full=Replicase polyprotein 1a; Short=pp1a; AltName: Full=ORF1a polyprotein; Contains: RecName: Full=Non-structural pro" . . . . . 98.82 4388 97.62 98.81 5.66e-44 . . . . 16981 1 18 no SP P0C6F8 . "RecName: Full=Replicase polyprotein 1a; Short=pp1a; AltName: Full=ORF1a polyprotein; Contains: RecName: Full=Non-structural pro" . . . . . 98.82 4376 97.62 98.81 4.24e-44 . . . . 16981 1 19 no SP P0C6T7 . "RecName: Full=Replicase polyprotein 1a; Short=pp1a; AltName: Full=ORF1a polyprotein; Contains: RecName: Full=Non-structural pro" . . . . . 98.82 4380 97.62 98.81 5.55e-44 . . . . 16981 1 20 no SP P0C6U8 . "RecName: Full=Replicase polyprotein 1a; Short=pp1a; AltName: Full=ORF1a polyprotein; Contains: RecName: Full=Non-structural pro" . . . . . 98.82 4382 98.81 98.81 1.87e-44 . . . . 16981 1 21 no SP P0C6V9 . "RecName: Full=Replicase polyprotein 1ab; Short=pp1ab; AltName: Full=ORF1ab polyprotein; Contains: RecName: Full=Host translatio" . . . . . 98.82 7079 97.62 98.81 1.40e-44 . . . . 16981 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 16981 1 2 . HIS . 16981 1 3 . SER . 16981 1 4 . LYS . 16981 1 5 . MET . 16981 1 6 . SER . 16981 1 7 . ASP . 16981 1 8 . VAL . 16981 1 9 . LYS . 16981 1 10 . CYS . 16981 1 11 . THR . 16981 1 12 . SER . 16981 1 13 . VAL . 16981 1 14 . VAL . 16981 1 15 . LEU . 16981 1 16 . LEU . 16981 1 17 . SER . 16981 1 18 . VAL . 16981 1 19 . LEU . 16981 1 20 . GLN . 16981 1 21 . GLN . 16981 1 22 . LEU . 16981 1 23 . ARG . 16981 1 24 . VAL . 16981 1 25 . GLU . 16981 1 26 . SER . 16981 1 27 . SER . 16981 1 28 . SER . 16981 1 29 . LYS . 16981 1 30 . LEU . 16981 1 31 . TRP . 16981 1 32 . ALA . 16981 1 33 . GLN . 16981 1 34 . CYS . 16981 1 35 . VAL . 16981 1 36 . GLN . 16981 1 37 . LEU . 16981 1 38 . HIS . 16981 1 39 . ASN . 16981 1 40 . ASP . 16981 1 41 . ILE . 16981 1 42 . LEU . 16981 1 43 . LEU . 16981 1 44 . ALA . 16981 1 45 . LYS . 16981 1 46 . ASP . 16981 1 47 . THR . 16981 1 48 . THR . 16981 1 49 . GLU . 16981 1 50 . ALA . 16981 1 51 . PHE . 16981 1 52 . GLU . 16981 1 53 . LYS . 16981 1 54 . MET . 16981 1 55 . VAL . 16981 1 56 . SER . 16981 1 57 . LEU . 16981 1 58 . LEU . 16981 1 59 . SER . 16981 1 60 . VAL . 16981 1 61 . LEU . 16981 1 62 . LEU . 16981 1 63 . SER . 16981 1 64 . MET . 16981 1 65 . GLN . 16981 1 66 . GLY . 16981 1 67 . ALA . 16981 1 68 . VAL . 16981 1 69 . ASP . 16981 1 70 . ILE . 16981 1 71 . ASN . 16981 1 72 . ARG . 16981 1 73 . LEU . 16981 1 74 . CYS . 16981 1 75 . GLU . 16981 1 76 . GLU . 16981 1 77 . MET . 16981 1 78 . LEU . 16981 1 79 . ASP . 16981 1 80 . ASN . 16981 1 81 . ARG . 16981 1 82 . ALA . 16981 1 83 . THR . 16981 1 84 . LEU . 16981 1 85 . GLN . 16981 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16981 1 . HIS 2 2 16981 1 . SER 3 3 16981 1 . LYS 4 4 16981 1 . MET 5 5 16981 1 . SER 6 6 16981 1 . ASP 7 7 16981 1 . VAL 8 8 16981 1 . LYS 9 9 16981 1 . CYS 10 10 16981 1 . THR 11 11 16981 1 . SER 12 12 16981 1 . VAL 13 13 16981 1 . VAL 14 14 16981 1 . LEU 15 15 16981 1 . LEU 16 16 16981 1 . SER 17 17 16981 1 . VAL 18 18 16981 1 . LEU 19 19 16981 1 . GLN 20 20 16981 1 . GLN 21 21 16981 1 . LEU 22 22 16981 1 . ARG 23 23 16981 1 . VAL 24 24 16981 1 . GLU 25 25 16981 1 . SER 26 26 16981 1 . SER 27 27 16981 1 . SER 28 28 16981 1 . LYS 29 29 16981 1 . LEU 30 30 16981 1 . TRP 31 31 16981 1 . ALA 32 32 16981 1 . GLN 33 33 16981 1 . CYS 34 34 16981 1 . VAL 35 35 16981 1 . GLN 36 36 16981 1 . LEU 37 37 16981 1 . HIS 38 38 16981 1 . ASN 39 39 16981 1 . ASP 40 40 16981 1 . ILE 41 41 16981 1 . LEU 42 42 16981 1 . LEU 43 43 16981 1 . ALA 44 44 16981 1 . LYS 45 45 16981 1 . ASP 46 46 16981 1 . THR 47 47 16981 1 . THR 48 48 16981 1 . GLU 49 49 16981 1 . ALA 50 50 16981 1 . PHE 51 51 16981 1 . GLU 52 52 16981 1 . LYS 53 53 16981 1 . MET 54 54 16981 1 . VAL 55 55 16981 1 . SER 56 56 16981 1 . LEU 57 57 16981 1 . LEU 58 58 16981 1 . SER 59 59 16981 1 . VAL 60 60 16981 1 . LEU 61 61 16981 1 . LEU 62 62 16981 1 . SER 63 63 16981 1 . MET 64 64 16981 1 . GLN 65 65 16981 1 . GLY 66 66 16981 1 . ALA 67 67 16981 1 . VAL 68 68 16981 1 . ASP 69 69 16981 1 . ILE 70 70 16981 1 . ASN 71 71 16981 1 . ARG 72 72 16981 1 . LEU 73 73 16981 1 . CYS 74 74 16981 1 . GLU 75 75 16981 1 . GLU 76 76 16981 1 . MET 77 77 16981 1 . LEU 78 78 16981 1 . ASP 79 79 16981 1 . ASN 80 80 16981 1 . ARG 81 81 16981 1 . ALA 82 82 16981 1 . THR 83 83 16981 1 . LEU 84 84 16981 1 . GLN 85 85 16981 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 16981 _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 $nsp7 . 227859 virus . 'SARS coronavirus' 'SARS coronavirus' . 03.019.0.01.014.00.038.001. virus . Betacoronavirus 'Severe acute respiratory syndrome-related coronavirus' Tor2 . . . . . . . . . . . . . . . . . . . . 16981 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 16981 _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 $nsp7 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)-RIL . . . . . . . . . . . . . . . pET-28a . . . . . . 16981 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16981 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 nsp7 '[U-98% 13C; U-98% 15N]' . . 1 $nsp7 . . 2 . . mM . . . . 16981 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16981 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 16981 1 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16981 1 5 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 16981 1 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 16981 1 7 D2O 'natural abundance' . . . . . . 7 . . % . . . . 16981 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 16981 _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' 0.253 . M 16981 1 pH 6.5 . pH 16981 1 pressure 1 . atm 16981 1 temperature 298 . K 16981 1 stop_ save_ ############################ # Computer software used # ############################ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 16981 _Software.ID 1 _Software.Name UNIO _Software.Version 1.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Torsten Herrmann' . . 16981 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16981 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16981 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16981 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16981 2 stop_ save_ save_ATNOS _Software.Sf_category software _Software.Sf_framecode ATNOS _Software.Entry_ID 16981 _Software.ID 3 _Software.Name ATNOS _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Torsten Herrmann, Peter G ntert, Kurt Wuthrich' . . 16981 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16981 3 stop_ save_ save_CANDID _Software.Sf_category software _Software.Sf_framecode CANDID _Software.Entry_ID 16981 _Software.ID 4 _Software.Name CANDID _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Torsten Herrmann, Peter G ntert, Kurt Wuthrich' . . 16981 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16981 4 stop_ save_ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 16981 _Software.ID 5 _Software.Name OPAL _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 16981 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16981 5 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16981 _Software.ID 6 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16981 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16981 6 'data analysis' 16981 6 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16981 _Software.ID 7 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 16981 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16981 7 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 16981 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16981 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16981 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 16981 1 2 spectrometer_2 Bruker Avance . 800 . . . 16981 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 16981 _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 '3D 15N-resolved [1H,1H]-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16981 1 2 '3D 13C-resolved [1H,1H]-NOESY (aliphatic carbons)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16981 1 3 '3D 13C-resolved [1H,1H]-NOESY (aromatic carbons)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16981 1 4 '2D [15N,1H]-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16981 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16981 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16981 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16981 1 8 '3D HC(C)H-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16981 1 9 '2D [13C,1H]-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16981 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 16981 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16981 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16981 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16981 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 16981 _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 '3D 15N-resolved [1H,1H]-NOESY' . . . 16981 1 2 '3D 13C-resolved [1H,1H]-NOESY (aliphatic carbons)' . . . 16981 1 3 '3D 13C-resolved [1H,1H]-NOESY (aromatic carbons)' . . . 16981 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 6 $TOPSPIN . . 16981 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.736 0.02 . 2 . . . . 1 GLY HA2 . 16981 1 2 . 1 1 1 1 GLY HA3 H 1 3.692 0.02 . 2 . . . . 1 GLY HA3 . 16981 1 3 . 1 1 1 1 GLY CA C 13 43.348 0.4 . 1 . . . . 1 GLY CA . 16981 1 4 . 1 1 2 2 HIS HA H 1 4.626 0.02 . 1 . . . . 2 HIS HA . 16981 1 5 . 1 1 2 2 HIS HB2 H 1 3.081 0.02 . 2 . . . . 2 HIS HB2 . 16981 1 6 . 1 1 2 2 HIS HB3 H 1 3.010 0.02 . 2 . . . . 2 HIS HB3 . 16981 1 7 . 1 1 2 2 HIS HD2 H 1 7.030 0.02 . 1 . . . . 2 HIS HD2 . 16981 1 8 . 1 1 2 2 HIS HE1 H 1 7.993 0.02 . 1 . . . . 2 HIS HE1 . 16981 1 9 . 1 1 2 2 HIS CA C 13 55.970 0.4 . 1 . . . . 2 HIS CA . 16981 1 10 . 1 1 2 2 HIS CB C 13 30.507 0.4 . 1 . . . . 2 HIS CB . 16981 1 11 . 1 1 2 2 HIS CD2 C 13 119.930 0.4 . 1 . . . . 2 HIS CD2 . 16981 1 12 . 1 1 2 2 HIS CE1 C 13 137.790 0.4 . 1 . . . . 2 HIS CE1 . 16981 1 13 . 1 1 3 3 SER H H 1 8.421 0.02 . 1 . . . . 3 SER H . 16981 1 14 . 1 1 3 3 SER HA H 1 4.343 0.02 . 1 . . . . 3 SER HA . 16981 1 15 . 1 1 3 3 SER HB2 H 1 3.741 0.02 . 2 . . . . 3 SER QB . 16981 1 16 . 1 1 3 3 SER HB3 H 1 3.741 0.02 . 2 . . . . 3 SER QB . 16981 1 17 . 1 1 3 3 SER CA C 13 58.219 0.4 . 1 . . . . 3 SER CA . 16981 1 18 . 1 1 3 3 SER CB C 13 63.752 0.4 . 1 . . . . 3 SER CB . 16981 1 19 . 1 1 3 3 SER N N 15 117.829 0.4 . 1 . . . . 3 SER N . 16981 1 20 . 1 1 4 4 LYS H H 1 8.487 0.02 . 1 . . . . 4 LYS H . 16981 1 21 . 1 1 4 4 LYS HA H 1 4.252 0.02 . 1 . . . . 4 LYS HA . 16981 1 22 . 1 1 4 4 LYS HB2 H 1 1.641 0.02 . 2 . . . . 4 LYS QB . 16981 1 23 . 1 1 4 4 LYS HB3 H 1 1.641 0.02 . 2 . . . . 4 LYS QB . 16981 1 24 . 1 1 4 4 LYS HD2 H 1 1.580 0.02 . 2 . . . . 4 LYS QD . 16981 1 25 . 1 1 4 4 LYS HD3 H 1 1.580 0.02 . 2 . . . . 4 LYS QD . 16981 1 26 . 1 1 4 4 LYS HE2 H 1 2.880 0.02 . 2 . . . . 4 LYS QE . 16981 1 27 . 1 1 4 4 LYS HE3 H 1 2.880 0.02 . 2 . . . . 4 LYS QE . 16981 1 28 . 1 1 4 4 LYS HG2 H 1 1.350 0.02 . 2 . . . . 4 LYS QG . 16981 1 29 . 1 1 4 4 LYS HG3 H 1 1.350 0.02 . 2 . . . . 4 LYS QG . 16981 1 30 . 1 1 4 4 LYS CA C 13 56.442 0.4 . 1 . . . . 4 LYS CA . 16981 1 31 . 1 1 4 4 LYS CB C 13 33.170 0.4 . 1 . . . . 4 LYS CB . 16981 1 32 . 1 1 4 4 LYS CD C 13 29.170 0.4 . 1 . . . . 4 LYS CD . 16981 1 33 . 1 1 4 4 LYS CE C 13 42.057 0.4 . 1 . . . . 4 LYS CE . 16981 1 34 . 1 1 4 4 LYS CG C 13 24.600 0.4 . 1 . . . . 4 LYS CG . 16981 1 35 . 1 1 4 4 LYS N N 15 123.502 0.4 . 1 . . . . 4 LYS N . 16981 1 36 . 1 1 5 5 MET H H 1 8.367 0.02 . 1 . . . . 5 MET H . 16981 1 37 . 1 1 5 5 MET HA H 1 4.343 0.02 . 1 . . . . 5 MET HA . 16981 1 38 . 1 1 5 5 MET HB2 H 1 1.989 0.02 . 2 . . . . 5 MET HB2 . 16981 1 39 . 1 1 5 5 MET HB3 H 1 1.895 0.02 . 2 . . . . 5 MET HB3 . 16981 1 40 . 1 1 5 5 MET HE1 H 1 1.975 0.02 . 1 . . . . 5 MET QE . 16981 1 41 . 1 1 5 5 MET HE2 H 1 1.975 0.02 . 1 . . . . 5 MET QE . 16981 1 42 . 1 1 5 5 MET HE3 H 1 1.975 0.02 . 1 . . . . 5 MET QE . 16981 1 43 . 1 1 5 5 MET HG2 H 1 2.527 0.02 . 2 . . . . 5 MET HG2 . 16981 1 44 . 1 1 5 5 MET HG3 H 1 2.440 0.02 . 2 . . . . 5 MET HG3 . 16981 1 45 . 1 1 5 5 MET CA C 13 55.817 0.4 . 1 . . . . 5 MET CA . 16981 1 46 . 1 1 5 5 MET CB C 13 32.625 0.4 . 1 . . . . 5 MET CB . 16981 1 47 . 1 1 5 5 MET CE C 13 16.938 0.4 . 1 . . . . 5 MET CE . 16981 1 48 . 1 1 5 5 MET CG C 13 31.999 0.4 . 1 . . . . 5 MET CG . 16981 1 49 . 1 1 5 5 MET N N 15 121.513 0.4 . 1 . . . . 5 MET N . 16981 1 50 . 1 1 6 6 SER H H 1 8.150 0.02 . 1 . . . . 6 SER H . 16981 1 51 . 1 1 6 6 SER HA H 1 4.298 0.02 . 1 . . . . 6 SER HA . 16981 1 52 . 1 1 6 6 SER HB2 H 1 3.720 0.02 . 2 . . . . 6 SER HB2 . 16981 1 53 . 1 1 6 6 SER HB3 H 1 3.772 0.02 . 2 . . . . 6 SER HB3 . 16981 1 54 . 1 1 6 6 SER CA C 13 58.392 0.4 . 1 . . . . 6 SER CA . 16981 1 55 . 1 1 6 6 SER CB C 13 63.654 0.4 . 1 . . . . 6 SER CB . 16981 1 56 . 1 1 6 6 SER N N 15 116.065 0.4 . 1 . . . . 6 SER N . 16981 1 57 . 1 1 7 7 ASP H H 1 8.203 0.02 . 1 . . . . 7 ASP H . 16981 1 58 . 1 1 7 7 ASP HA H 1 4.541 0.02 . 1 . . . . 7 ASP HA . 16981 1 59 . 1 1 7 7 ASP HB2 H 1 2.597 0.02 . 2 . . . . 7 ASP HB2 . 16981 1 60 . 1 1 7 7 ASP HB3 H 1 2.500 0.02 . 2 . . . . 7 ASP HB3 . 16981 1 61 . 1 1 7 7 ASP CA C 13 54.293 0.4 . 1 . . . . 7 ASP CA . 16981 1 62 . 1 1 7 7 ASP CB C 13 41.160 0.4 . 1 . . . . 7 ASP CB . 16981 1 63 . 1 1 7 7 ASP N N 15 122.411 0.4 . 1 . . . . 7 ASP N . 16981 1 64 . 1 1 8 8 VAL H H 1 7.931 0.02 . 1 . . . . 8 VAL H . 16981 1 65 . 1 1 8 8 VAL HA H 1 3.986 0.02 . 1 . . . . 8 VAL HA . 16981 1 66 . 1 1 8 8 VAL HB H 1 2.007 0.02 . 1 . . . . 8 VAL HB . 16981 1 67 . 1 1 8 8 VAL HG11 H 1 0.855 0.02 . 2 . . . . 8 VAL QG1 . 16981 1 68 . 1 1 8 8 VAL HG12 H 1 0.855 0.02 . 2 . . . . 8 VAL QG1 . 16981 1 69 . 1 1 8 8 VAL HG13 H 1 0.855 0.02 . 2 . . . . 8 VAL QG1 . 16981 1 70 . 1 1 8 8 VAL HG21 H 1 0.832 0.02 . 2 . . . . 8 VAL QG2 . 16981 1 71 . 1 1 8 8 VAL HG22 H 1 0.832 0.02 . 2 . . . . 8 VAL QG2 . 16981 1 72 . 1 1 8 8 VAL HG23 H 1 0.832 0.02 . 2 . . . . 8 VAL QG2 . 16981 1 73 . 1 1 8 8 VAL CA C 13 62.460 0.4 . 1 . . . . 8 VAL CA . 16981 1 74 . 1 1 8 8 VAL CB C 13 32.468 0.4 . 1 . . . . 8 VAL CB . 16981 1 75 . 1 1 8 8 VAL CG1 C 13 20.802 0.4 . 2 . . . . 8 VAL CG1 . 16981 1 76 . 1 1 8 8 VAL CG2 C 13 21.294 0.4 . 2 . . . . 8 VAL CG2 . 16981 1 77 . 1 1 8 8 VAL N N 15 120.229 0.4 . 1 . . . . 8 VAL N . 16981 1 78 . 1 1 9 9 LYS H H 1 8.327 0.02 . 1 . . . . 9 LYS H . 16981 1 79 . 1 1 9 9 LYS HA H 1 4.317 0.02 . 1 . . . . 9 LYS HA . 16981 1 80 . 1 1 9 9 LYS HB2 H 1 1.690 0.02 . 2 . . . . 9 LYS HB2 . 16981 1 81 . 1 1 9 9 LYS HB3 H 1 1.710 0.02 . 2 . . . . 9 LYS HB3 . 16981 1 82 . 1 1 9 9 LYS HD2 H 1 1.575 0.02 . 2 . . . . 9 LYS QD . 16981 1 83 . 1 1 9 9 LYS HD3 H 1 1.575 0.02 . 2 . . . . 9 LYS QD . 16981 1 84 . 1 1 9 9 LYS HE2 H 1 2.890 0.02 . 2 . . . . 9 LYS QE . 16981 1 85 . 1 1 9 9 LYS HE3 H 1 2.890 0.02 . 2 . . . . 9 LYS QE . 16981 1 86 . 1 1 9 9 LYS HG2 H 1 1.360 0.02 . 2 . . . . 9 LYS HG2 . 16981 1 87 . 1 1 9 9 LYS HG3 H 1 1.300 0.02 . 2 . . . . 9 LYS HG3 . 16981 1 88 . 1 1 9 9 LYS CA C 13 55.895 0.4 . 1 . . . . 9 LYS CA . 16981 1 89 . 1 1 9 9 LYS CB C 13 33.303 0.4 . 1 . . . . 9 LYS CB . 16981 1 90 . 1 1 9 9 LYS CD C 13 28.923 0.4 . 1 . . . . 9 LYS CD . 16981 1 91 . 1 1 9 9 LYS CE C 13 42.057 0.4 . 1 . . . . 9 LYS CE . 16981 1 92 . 1 1 9 9 LYS CG C 13 24.617 0.4 . 1 . . . . 9 LYS CG . 16981 1 93 . 1 1 9 9 LYS N N 15 124.951 0.4 . 1 . . . . 9 LYS N . 16981 1 94 . 1 1 10 10 CYS H H 1 8.478 0.02 . 1 . . . . 10 CYS H . 16981 1 95 . 1 1 10 10 CYS HA H 1 4.482 0.02 . 1 . . . . 10 CYS HA . 16981 1 96 . 1 1 10 10 CYS HB2 H 1 2.808 0.02 . 2 . . . . 10 CYS HB2 . 16981 1 97 . 1 1 10 10 CYS HB3 H 1 2.669 0.02 . 2 . . . . 10 CYS HB3 . 16981 1 98 . 1 1 10 10 CYS CA C 13 58.240 0.4 . 1 . . . . 10 CYS CA . 16981 1 99 . 1 1 10 10 CYS CB C 13 28.087 0.4 . 1 . . . . 10 CYS CB . 16981 1 100 . 1 1 10 10 CYS N N 15 121.257 0.4 . 1 . . . . 10 CYS N . 16981 1 101 . 1 1 11 11 THR H H 1 8.567 0.02 . 1 . . . . 11 THR H . 16981 1 102 . 1 1 11 11 THR HA H 1 4.164 0.02 . 1 . . . . 11 THR HA . 16981 1 103 . 1 1 11 11 THR HB H 1 4.188 0.02 . 1 . . . . 11 THR HB . 16981 1 104 . 1 1 11 11 THR HG21 H 1 1.056 0.02 . 1 . . . . 11 THR QG2 . 16981 1 105 . 1 1 11 11 THR HG22 H 1 1.056 0.02 . 1 . . . . 11 THR QG2 . 16981 1 106 . 1 1 11 11 THR HG23 H 1 1.056 0.02 . 1 . . . . 11 THR QG2 . 16981 1 107 . 1 1 11 11 THR CA C 13 62.538 0.4 . 1 . . . . 11 THR CA . 16981 1 108 . 1 1 11 11 THR CB C 13 69.068 0.4 . 1 . . . . 11 THR CB . 16981 1 109 . 1 1 11 11 THR CG2 C 13 21.759 0.4 . 1 . . . . 11 THR CG2 . 16981 1 110 . 1 1 11 11 THR N N 15 118.641 0.4 . 1 . . . . 11 THR N . 16981 1 111 . 1 1 12 12 SER H H 1 7.654 0.02 . 1 . . . . 12 SER H . 16981 1 112 . 1 1 12 12 SER HA H 1 4.511 0.02 . 1 . . . . 12 SER HA . 16981 1 113 . 1 1 12 12 SER HB2 H 1 3.847 0.02 . 2 . . . . 12 SER HB2 . 16981 1 114 . 1 1 12 12 SER HB3 H 1 3.204 0.02 . 2 . . . . 12 SER HB3 . 16981 1 115 . 1 1 12 12 SER CA C 13 56.989 0.4 . 1 . . . . 12 SER CA . 16981 1 116 . 1 1 12 12 SER CB C 13 63.140 0.4 . 1 . . . . 12 SER CB . 16981 1 117 . 1 1 12 12 SER N N 15 117.418 0.4 . 1 . . . . 12 SER N . 16981 1 118 . 1 1 13 13 VAL H H 1 8.414 0.02 . 1 . . . . 13 VAL H . 16981 1 119 . 1 1 13 13 VAL HA H 1 3.705 0.02 . 1 . . . . 13 VAL HA . 16981 1 120 . 1 1 13 13 VAL HB H 1 2.042 0.02 . 1 . . . . 13 VAL HB . 16981 1 121 . 1 1 13 13 VAL HG11 H 1 0.937 0.02 . 2 . . . . 13 VAL QG1 . 16981 1 122 . 1 1 13 13 VAL HG12 H 1 0.937 0.02 . 2 . . . . 13 VAL QG1 . 16981 1 123 . 1 1 13 13 VAL HG13 H 1 0.937 0.02 . 2 . . . . 13 VAL QG1 . 16981 1 124 . 1 1 13 13 VAL HG21 H 1 0.891 0.02 . 2 . . . . 13 VAL QG2 . 16981 1 125 . 1 1 13 13 VAL HG22 H 1 0.891 0.02 . 2 . . . . 13 VAL QG2 . 16981 1 126 . 1 1 13 13 VAL HG23 H 1 0.891 0.02 . 2 . . . . 13 VAL QG2 . 16981 1 127 . 1 1 13 13 VAL CA C 13 65.078 0.4 . 1 . . . . 13 VAL CA . 16981 1 128 . 1 1 13 13 VAL CB C 13 31.550 0.4 . 1 . . . . 13 VAL CB . 16981 1 129 . 1 1 13 13 VAL CG1 C 13 20.925 0.4 . 2 . . . . 13 VAL CG1 . 16981 1 130 . 1 1 13 13 VAL CG2 C 13 21.152 0.4 . 2 . . . . 13 VAL CG2 . 16981 1 131 . 1 1 13 13 VAL N N 15 126.974 0.4 . 1 . . . . 13 VAL N . 16981 1 132 . 1 1 14 14 VAL H H 1 8.037 0.02 . 1 . . . . 14 VAL H . 16981 1 133 . 1 1 14 14 VAL HA H 1 3.690 0.02 . 1 . . . . 14 VAL HA . 16981 1 134 . 1 1 14 14 VAL HB H 1 1.783 0.02 . 1 . . . . 14 VAL HB . 16981 1 135 . 1 1 14 14 VAL HG11 H 1 0.691 0.02 . 2 . . . . 14 VAL QG1 . 16981 1 136 . 1 1 14 14 VAL HG12 H 1 0.691 0.02 . 2 . . . . 14 VAL QG1 . 16981 1 137 . 1 1 14 14 VAL HG13 H 1 0.691 0.02 . 2 . . . . 14 VAL QG1 . 16981 1 138 . 1 1 14 14 VAL HG21 H 1 0.823 0.02 . 2 . . . . 14 VAL QG2 . 16981 1 139 . 1 1 14 14 VAL HG22 H 1 0.823 0.02 . 2 . . . . 14 VAL QG2 . 16981 1 140 . 1 1 14 14 VAL HG23 H 1 0.823 0.02 . 2 . . . . 14 VAL QG2 . 16981 1 141 . 1 1 14 14 VAL CA C 13 65.469 0.4 . 1 . . . . 14 VAL CA . 16981 1 142 . 1 1 14 14 VAL CB C 13 31.171 0.4 . 1 . . . . 14 VAL CB . 16981 1 143 . 1 1 14 14 VAL CG1 C 13 22.156 0.4 . 2 . . . . 14 VAL CG1 . 16981 1 144 . 1 1 14 14 VAL CG2 C 13 22.617 0.4 . 2 . . . . 14 VAL CG2 . 16981 1 145 . 1 1 14 14 VAL N N 15 122.441 0.4 . 1 . . . . 14 VAL N . 16981 1 146 . 1 1 15 15 LEU H H 1 7.911 0.02 . 1 . . . . 15 LEU H . 16981 1 147 . 1 1 15 15 LEU HA H 1 3.636 0.02 . 1 . . . . 15 LEU HA . 16981 1 148 . 1 1 15 15 LEU HB2 H 1 0.713 0.02 . 2 . . . . 15 LEU HB2 . 16981 1 149 . 1 1 15 15 LEU HB3 H 1 1.408 0.02 . 2 . . . . 15 LEU HB3 . 16981 1 150 . 1 1 15 15 LEU HD11 H 1 0.477 0.02 . 2 . . . . 15 LEU QD1 . 16981 1 151 . 1 1 15 15 LEU HD12 H 1 0.477 0.02 . 2 . . . . 15 LEU QD1 . 16981 1 152 . 1 1 15 15 LEU HD13 H 1 0.477 0.02 . 2 . . . . 15 LEU QD1 . 16981 1 153 . 1 1 15 15 LEU HD21 H 1 0.330 0.02 . 2 . . . . 15 LEU QD2 . 16981 1 154 . 1 1 15 15 LEU HD22 H 1 0.330 0.02 . 2 . . . . 15 LEU QD2 . 16981 1 155 . 1 1 15 15 LEU HD23 H 1 0.330 0.02 . 2 . . . . 15 LEU QD2 . 16981 1 156 . 1 1 15 15 LEU HG H 1 1.060 0.02 . 1 . . . . 15 LEU HG . 16981 1 157 . 1 1 15 15 LEU CA C 13 58.123 0.4 . 1 . . . . 15 LEU CA . 16981 1 158 . 1 1 15 15 LEU CB C 13 40.163 0.4 . 1 . . . . 15 LEU CB . 16981 1 159 . 1 1 15 15 LEU CD1 C 13 22.500 0.4 . 2 . . . . 15 LEU CD1 . 16981 1 160 . 1 1 15 15 LEU CD2 C 13 26.062 0.4 . 2 . . . . 15 LEU CD2 . 16981 1 161 . 1 1 15 15 LEU CG C 13 26.407 0.4 . 1 . . . . 15 LEU CG . 16981 1 162 . 1 1 15 15 LEU N N 15 121.745 0.4 . 1 . . . . 15 LEU N . 16981 1 163 . 1 1 16 16 LEU H H 1 7.479 0.02 . 1 . . . . 16 LEU H . 16981 1 164 . 1 1 16 16 LEU HA H 1 3.666 0.02 . 1 . . . . 16 LEU HA . 16981 1 165 . 1 1 16 16 LEU HB2 H 1 1.743 0.02 . 2 . . . . 16 LEU HB2 . 16981 1 166 . 1 1 16 16 LEU HB3 H 1 1.544 0.02 . 2 . . . . 16 LEU HB3 . 16981 1 167 . 1 1 16 16 LEU HD11 H 1 0.819 0.02 . 2 . . . . 16 LEU QD1 . 16981 1 168 . 1 1 16 16 LEU HD12 H 1 0.819 0.02 . 2 . . . . 16 LEU QD1 . 16981 1 169 . 1 1 16 16 LEU HD13 H 1 0.819 0.02 . 2 . . . . 16 LEU QD1 . 16981 1 170 . 1 1 16 16 LEU HD21 H 1 0.893 0.02 . 2 . . . . 16 LEU QD2 . 16981 1 171 . 1 1 16 16 LEU HD22 H 1 0.893 0.02 . 2 . . . . 16 LEU QD2 . 16981 1 172 . 1 1 16 16 LEU HD23 H 1 0.893 0.02 . 2 . . . . 16 LEU QD2 . 16981 1 173 . 1 1 16 16 LEU HG H 1 1.732 0.02 . 1 . . . . 16 LEU HG . 16981 1 174 . 1 1 16 16 LEU CA C 13 58.462 0.4 . 1 . . . . 16 LEU CA . 16981 1 175 . 1 1 16 16 LEU CB C 13 40.841 0.4 . 1 . . . . 16 LEU CB . 16981 1 176 . 1 1 16 16 LEU CD1 C 13 23.603 0.4 . 2 . . . . 16 LEU CD1 . 16981 1 177 . 1 1 16 16 LEU CD2 C 13 25.050 0.4 . 2 . . . . 16 LEU CD2 . 16981 1 178 . 1 1 16 16 LEU CG C 13 26.841 0.4 . 1 . . . . 16 LEU CG . 16981 1 179 . 1 1 16 16 LEU N N 15 116.244 0.4 . 1 . . . . 16 LEU N . 16981 1 180 . 1 1 17 17 SER H H 1 7.766 0.02 . 1 . . . . 17 SER H . 16981 1 181 . 1 1 17 17 SER HA H 1 4.185 0.02 . 1 . . . . 17 SER HA . 16981 1 182 . 1 1 17 17 SER HB2 H 1 3.936 0.02 . 2 . . . . 17 SER QB . 16981 1 183 . 1 1 17 17 SER HB3 H 1 3.936 0.02 . 2 . . . . 17 SER QB . 16981 1 184 . 1 1 17 17 SER CA C 13 61.900 0.4 . 1 . . . . 17 SER CA . 16981 1 185 . 1 1 17 17 SER CB C 13 62.600 0.4 . 1 . . . . 17 SER CB . 16981 1 186 . 1 1 17 17 SER N N 15 114.837 0.4 . 1 . . . . 17 SER N . 16981 1 187 . 1 1 18 18 VAL H H 1 7.995 0.02 . 1 . . . . 18 VAL H . 16981 1 188 . 1 1 18 18 VAL HA H 1 3.551 0.02 . 1 . . . . 18 VAL HA . 16981 1 189 . 1 1 18 18 VAL HB H 1 2.047 0.02 . 1 . . . . 18 VAL HB . 16981 1 190 . 1 1 18 18 VAL HG11 H 1 0.734 0.02 . 2 . . . . 18 VAL QG1 . 16981 1 191 . 1 1 18 18 VAL HG12 H 1 0.734 0.02 . 2 . . . . 18 VAL QG1 . 16981 1 192 . 1 1 18 18 VAL HG13 H 1 0.734 0.02 . 2 . . . . 18 VAL QG1 . 16981 1 193 . 1 1 18 18 VAL HG21 H 1 0.600 0.02 . 2 . . . . 18 VAL QG2 . 16981 1 194 . 1 1 18 18 VAL HG22 H 1 0.600 0.02 . 2 . . . . 18 VAL QG2 . 16981 1 195 . 1 1 18 18 VAL HG23 H 1 0.600 0.02 . 2 . . . . 18 VAL QG2 . 16981 1 196 . 1 1 18 18 VAL CA C 13 66.524 0.4 . 1 . . . . 18 VAL CA . 16981 1 197 . 1 1 18 18 VAL CB C 13 31.425 0.4 . 1 . . . . 18 VAL CB . 16981 1 198 . 1 1 18 18 VAL CG1 C 13 23.909 0.4 . 2 . . . . 18 VAL CG1 . 16981 1 199 . 1 1 18 18 VAL CG2 C 13 21.152 0.4 . 2 . . . . 18 VAL CG2 . 16981 1 200 . 1 1 18 18 VAL N N 15 122.552 0.4 . 1 . . . . 18 VAL N . 16981 1 201 . 1 1 19 19 LEU H H 1 8.220 0.02 . 1 . . . . 19 LEU H . 16981 1 202 . 1 1 19 19 LEU HA H 1 3.730 0.02 . 1 . . . . 19 LEU HA . 16981 1 203 . 1 1 19 19 LEU HB2 H 1 1.624 0.02 . 2 . . . . 19 LEU HB2 . 16981 1 204 . 1 1 19 19 LEU HB3 H 1 1.150 0.02 . 2 . . . . 19 LEU HB3 . 16981 1 205 . 1 1 19 19 LEU HD11 H 1 -0.213 0.02 . 2 . . . . 19 LEU QD1 . 16981 1 206 . 1 1 19 19 LEU HD12 H 1 -0.213 0.02 . 2 . . . . 19 LEU QD1 . 16981 1 207 . 1 1 19 19 LEU HD13 H 1 -0.213 0.02 . 2 . . . . 19 LEU QD1 . 16981 1 208 . 1 1 19 19 LEU HD21 H 1 0.476 0.02 . 2 . . . . 19 LEU QD2 . 16981 1 209 . 1 1 19 19 LEU HD22 H 1 0.476 0.02 . 2 . . . . 19 LEU QD2 . 16981 1 210 . 1 1 19 19 LEU HD23 H 1 0.476 0.02 . 2 . . . . 19 LEU QD2 . 16981 1 211 . 1 1 19 19 LEU HG H 1 1.496 0.02 . 1 . . . . 19 LEU HG . 16981 1 212 . 1 1 19 19 LEU CA C 13 58.473 0.4 . 1 . . . . 19 LEU CA . 16981 1 213 . 1 1 19 19 LEU CB C 13 40.438 0.4 . 1 . . . . 19 LEU CB . 16981 1 214 . 1 1 19 19 LEU CD1 C 13 24.500 0.4 . 2 . . . . 19 LEU CD1 . 16981 1 215 . 1 1 19 19 LEU CD2 C 13 22.500 0.4 . 2 . . . . 19 LEU CD2 . 16981 1 216 . 1 1 19 19 LEU CG C 13 26.101 0.4 . 1 . . . . 19 LEU CG . 16981 1 217 . 1 1 19 19 LEU N N 15 117.438 0.4 . 1 . . . . 19 LEU N . 16981 1 218 . 1 1 20 20 GLN H H 1 7.985 0.02 . 1 . . . . 20 GLN H . 16981 1 219 . 1 1 20 20 GLN HA H 1 4.198 0.02 . 1 . . . . 20 GLN HA . 16981 1 220 . 1 1 20 20 GLN HB2 H 1 2.289 0.02 . 2 . . . . 20 GLN HB2 . 16981 1 221 . 1 1 20 20 GLN HB3 H 1 2.141 0.02 . 2 . . . . 20 GLN HB3 . 16981 1 222 . 1 1 20 20 GLN HE21 H 1 6.802 0.02 . 2 . . . . 20 GLN HE21 . 16981 1 223 . 1 1 20 20 GLN HE22 H 1 7.332 0.02 . 2 . . . . 20 GLN HE22 . 16981 1 224 . 1 1 20 20 GLN HG2 H 1 2.404 0.02 . 2 . . . . 20 GLN HG2 . 16981 1 225 . 1 1 20 20 GLN HG3 H 1 2.630 0.02 . 2 . . . . 20 GLN HG3 . 16981 1 226 . 1 1 20 20 GLN CA C 13 59.127 0.4 . 1 . . . . 20 GLN CA . 16981 1 227 . 1 1 20 20 GLN CB C 13 28.451 0.4 . 1 . . . . 20 GLN CB . 16981 1 228 . 1 1 20 20 GLN CG C 13 34.299 0.4 . 1 . . . . 20 GLN CG . 16981 1 229 . 1 1 20 20 GLN N N 15 117.880 0.4 . 1 . . . . 20 GLN N . 16981 1 230 . 1 1 20 20 GLN NE2 N 15 110.903 0.4 . 1 . . . . 20 GLN NE2 . 16981 1 231 . 1 1 21 21 GLN H H 1 8.782 0.02 . 1 . . . . 21 GLN H . 16981 1 232 . 1 1 21 21 GLN HA H 1 3.903 0.02 . 1 . . . . 21 GLN HA . 16981 1 233 . 1 1 21 21 GLN HB2 H 1 2.394 0.02 . 2 . . . . 21 GLN HB2 . 16981 1 234 . 1 1 21 21 GLN HB3 H 1 2.143 0.02 . 2 . . . . 21 GLN HB3 . 16981 1 235 . 1 1 21 21 GLN HE21 H 1 6.860 0.02 . 2 . . . . 21 GLN QE2 . 16981 1 236 . 1 1 21 21 GLN HE22 H 1 6.860 0.02 . 2 . . . . 21 GLN QE2 . 16981 1 237 . 1 1 21 21 GLN HG2 H 1 2.616 0.02 . 2 . . . . 21 GLN HG2 . 16981 1 238 . 1 1 21 21 GLN HG3 H 1 2.496 0.02 . 2 . . . . 21 GLN HG3 . 16981 1 239 . 1 1 21 21 GLN CA C 13 59.295 0.4 . 1 . . . . 21 GLN CA . 16981 1 240 . 1 1 21 21 GLN CB C 13 27.166 0.4 . 1 . . . . 21 GLN CB . 16981 1 241 . 1 1 21 21 GLN CG C 13 34.521 0.4 . 1 . . . . 21 GLN CG . 16981 1 242 . 1 1 21 21 GLN N N 15 123.347 0.4 . 1 . . . . 21 GLN N . 16981 1 243 . 1 1 21 21 GLN NE2 N 15 108.008 0.4 . 1 . . . . 21 GLN NE2 . 16981 1 244 . 1 1 22 22 LEU H H 1 7.532 0.02 . 1 . . . . 22 LEU H . 16981 1 245 . 1 1 22 22 LEU HA H 1 4.230 0.02 . 1 . . . . 22 LEU HA . 16981 1 246 . 1 1 22 22 LEU HB2 H 1 1.651 0.02 . 2 . . . . 22 LEU HB2 . 16981 1 247 . 1 1 22 22 LEU HB3 H 1 1.678 0.02 . 2 . . . . 22 LEU HB3 . 16981 1 248 . 1 1 22 22 LEU HD11 H 1 0.700 0.02 . 2 . . . . 22 LEU QD1 . 16981 1 249 . 1 1 22 22 LEU HD12 H 1 0.700 0.02 . 2 . . . . 22 LEU QD1 . 16981 1 250 . 1 1 22 22 LEU HD13 H 1 0.700 0.02 . 2 . . . . 22 LEU QD1 . 16981 1 251 . 1 1 22 22 LEU HD21 H 1 0.635 0.02 . 2 . . . . 22 LEU QD2 . 16981 1 252 . 1 1 22 22 LEU HD22 H 1 0.635 0.02 . 2 . . . . 22 LEU QD2 . 16981 1 253 . 1 1 22 22 LEU HD23 H 1 0.635 0.02 . 2 . . . . 22 LEU QD2 . 16981 1 254 . 1 1 22 22 LEU HG H 1 1.655 0.02 . 1 . . . . 22 LEU HG . 16981 1 255 . 1 1 22 22 LEU CA C 13 54.176 0.4 . 1 . . . . 22 LEU CA . 16981 1 256 . 1 1 22 22 LEU CB C 13 42.141 0.4 . 1 . . . . 22 LEU CB . 16981 1 257 . 1 1 22 22 LEU CD1 C 13 28.185 0.4 . 2 . . . . 22 LEU CD1 . 16981 1 258 . 1 1 22 22 LEU CD2 C 13 21.935 0.4 . 2 . . . . 22 LEU CD2 . 16981 1 259 . 1 1 22 22 LEU CG C 13 26.585 0.4 . 1 . . . . 22 LEU CG . 16981 1 260 . 1 1 22 22 LEU N N 15 116.748 0.4 . 1 . . . . 22 LEU N . 16981 1 261 . 1 1 23 23 ARG H H 1 7.878 0.02 . 1 . . . . 23 ARG H . 16981 1 262 . 1 1 23 23 ARG HA H 1 3.795 0.02 . 1 . . . . 23 ARG HA . 16981 1 263 . 1 1 23 23 ARG HB2 H 1 2.063 0.02 . 2 . . . . 23 ARG HB2 . 16981 1 264 . 1 1 23 23 ARG HB3 H 1 1.889 0.02 . 2 . . . . 23 ARG HB3 . 16981 1 265 . 1 1 23 23 ARG HD2 H 1 3.228 0.02 . 2 . . . . 23 ARG HD2 . 16981 1 266 . 1 1 23 23 ARG HD3 H 1 3.155 0.02 . 2 . . . . 23 ARG HD3 . 16981 1 267 . 1 1 23 23 ARG HG2 H 1 1.519 0.02 . 2 . . . . 23 ARG QG . 16981 1 268 . 1 1 23 23 ARG HG3 H 1 1.519 0.02 . 2 . . . . 23 ARG QG . 16981 1 269 . 1 1 23 23 ARG CA C 13 56.872 0.4 . 1 . . . . 23 ARG CA . 16981 1 270 . 1 1 23 23 ARG CB C 13 25.939 0.4 . 1 . . . . 23 ARG CB . 16981 1 271 . 1 1 23 23 ARG CD C 13 43.356 0.4 . 1 . . . . 23 ARG CD . 16981 1 272 . 1 1 23 23 ARG CG C 13 27.392 0.4 . 1 . . . . 23 ARG CG . 16981 1 273 . 1 1 23 23 ARG N N 15 114.296 0.4 . 1 . . . . 23 ARG N . 16981 1 274 . 1 1 24 24 VAL H H 1 8.244 0.02 . 1 . . . . 24 VAL H . 16981 1 275 . 1 1 24 24 VAL HA H 1 3.874 0.02 . 1 . . . . 24 VAL HA . 16981 1 276 . 1 1 24 24 VAL HB H 1 2.013 0.02 . 1 . . . . 24 VAL HB . 16981 1 277 . 1 1 24 24 VAL HG11 H 1 0.945 0.02 . 2 . . . . 24 VAL QG1 . 16981 1 278 . 1 1 24 24 VAL HG12 H 1 0.945 0.02 . 2 . . . . 24 VAL QG1 . 16981 1 279 . 1 1 24 24 VAL HG13 H 1 0.945 0.02 . 2 . . . . 24 VAL QG1 . 16981 1 280 . 1 1 24 24 VAL HG21 H 1 0.825 0.02 . 2 . . . . 24 VAL QG2 . 16981 1 281 . 1 1 24 24 VAL HG22 H 1 0.825 0.02 . 2 . . . . 24 VAL QG2 . 16981 1 282 . 1 1 24 24 VAL HG23 H 1 0.825 0.02 . 2 . . . . 24 VAL QG2 . 16981 1 283 . 1 1 24 24 VAL CA C 13 62.616 0.4 . 1 . . . . 24 VAL CA . 16981 1 284 . 1 1 24 24 VAL CB C 13 31.470 0.4 . 1 . . . . 24 VAL CB . 16981 1 285 . 1 1 24 24 VAL CG1 C 13 21.676 0.4 . 2 . . . . 24 VAL CG1 . 16981 1 286 . 1 1 24 24 VAL CG2 C 13 21.633 0.4 . 2 . . . . 24 VAL CG2 . 16981 1 287 . 1 1 24 24 VAL N N 15 120.804 0.4 . 1 . . . . 24 VAL N . 16981 1 288 . 1 1 25 25 GLU H H 1 8.767 0.02 . 1 . . . . 25 GLU H . 16981 1 289 . 1 1 25 25 GLU HA H 1 4.163 0.02 . 1 . . . . 25 GLU HA . 16981 1 290 . 1 1 25 25 GLU HB2 H 1 1.987 0.02 . 2 . . . . 25 GLU HB2 . 16981 1 291 . 1 1 25 25 GLU HB3 H 1 1.905 0.02 . 2 . . . . 25 GLU HB3 . 16981 1 292 . 1 1 25 25 GLU HG2 H 1 2.240 0.02 . 2 . . . . 25 GLU HG2 . 16981 1 293 . 1 1 25 25 GLU HG3 H 1 2.320 0.02 . 2 . . . . 25 GLU HG3 . 16981 1 294 . 1 1 25 25 GLU CA C 13 56.638 0.4 . 1 . . . . 25 GLU CA . 16981 1 295 . 1 1 25 25 GLU CB C 13 30.261 0.4 . 1 . . . . 25 GLU CB . 16981 1 296 . 1 1 25 25 GLU CG C 13 36.310 0.4 . 1 . . . . 25 GLU CG . 16981 1 297 . 1 1 25 25 GLU N N 15 127.880 0.4 . 1 . . . . 25 GLU N . 16981 1 298 . 1 1 26 26 SER H H 1 8.696 0.02 . 1 . . . . 26 SER H . 16981 1 299 . 1 1 26 26 SER HA H 1 2.622 0.02 . 1 . . . . 26 SER HA . 16981 1 300 . 1 1 26 26 SER HB2 H 1 2.688 0.02 . 2 . . . . 26 SER QB . 16981 1 301 . 1 1 26 26 SER HB3 H 1 2.688 0.02 . 2 . . . . 26 SER QB . 16981 1 302 . 1 1 26 26 SER CA C 13 60.428 0.4 . 1 . . . . 26 SER CA . 16981 1 303 . 1 1 26 26 SER CB C 13 61.559 0.4 . 1 . . . . 26 SER CB . 16981 1 304 . 1 1 26 26 SER N N 15 122.230 0.4 . 1 . . . . 26 SER N . 16981 1 305 . 1 1 27 27 SER H H 1 7.192 0.02 . 1 . . . . 27 SER H . 16981 1 306 . 1 1 27 27 SER HA H 1 4.165 0.02 . 1 . . . . 27 SER HA . 16981 1 307 . 1 1 27 27 SER HB2 H 1 3.645 0.02 . 2 . . . . 27 SER HB2 . 16981 1 308 . 1 1 27 27 SER HB3 H 1 3.896 0.02 . 2 . . . . 27 SER HB3 . 16981 1 309 . 1 1 27 27 SER CA C 13 57.985 0.4 . 1 . . . . 27 SER CA . 16981 1 310 . 1 1 27 27 SER CB C 13 63.163 0.4 . 1 . . . . 27 SER CB . 16981 1 311 . 1 1 27 27 SER N N 15 113.564 0.4 . 1 . . . . 27 SER N . 16981 1 312 . 1 1 28 28 SER H H 1 7.770 0.02 . 1 . . . . 28 SER H . 16981 1 313 . 1 1 28 28 SER HA H 1 4.465 0.02 . 1 . . . . 28 SER HA . 16981 1 314 . 1 1 28 28 SER HB2 H 1 4.016 0.02 . 2 . . . . 28 SER HB2 . 16981 1 315 . 1 1 28 28 SER HB3 H 1 4.350 0.02 . 2 . . . . 28 SER HB3 . 16981 1 316 . 1 1 28 28 SER CA C 13 58.279 0.4 . 1 . . . . 28 SER CA . 16981 1 317 . 1 1 28 28 SER CB C 13 66.641 0.4 . 1 . . . . 28 SER CB . 16981 1 318 . 1 1 28 28 SER N N 15 117.395 0.4 . 1 . . . . 28 SER N . 16981 1 319 . 1 1 29 29 LYS H H 1 8.994 0.02 . 1 . . . . 29 LYS H . 16981 1 320 . 1 1 29 29 LYS HA H 1 4.110 0.02 . 1 . . . . 29 LYS HA . 16981 1 321 . 1 1 29 29 LYS HB2 H 1 1.797 0.02 . 2 . . . . 29 LYS QB . 16981 1 322 . 1 1 29 29 LYS HB3 H 1 1.797 0.02 . 2 . . . . 29 LYS QB . 16981 1 323 . 1 1 29 29 LYS HD2 H 1 1.640 0.02 . 2 . . . . 29 LYS QD . 16981 1 324 . 1 1 29 29 LYS HD3 H 1 1.640 0.02 . 2 . . . . 29 LYS QD . 16981 1 325 . 1 1 29 29 LYS HE2 H 1 2.930 0.02 . 2 . . . . 29 LYS QE . 16981 1 326 . 1 1 29 29 LYS HE3 H 1 2.930 0.02 . 2 . . . . 29 LYS QE . 16981 1 327 . 1 1 29 29 LYS HG2 H 1 1.423 0.02 . 2 . . . . 29 LYS HG2 . 16981 1 328 . 1 1 29 29 LYS HG3 H 1 1.541 0.02 . 2 . . . . 29 LYS HG3 . 16981 1 329 . 1 1 29 29 LYS CA C 13 59.191 0.4 . 1 . . . . 29 LYS CA . 16981 1 330 . 1 1 29 29 LYS CB C 13 31.872 0.4 . 1 . . . . 29 LYS CB . 16981 1 331 . 1 1 29 29 LYS CD C 13 29.037 0.4 . 1 . . . . 29 LYS CD . 16981 1 332 . 1 1 29 29 LYS CE C 13 42.089 0.4 . 1 . . . . 29 LYS CE . 16981 1 333 . 1 1 29 29 LYS CG C 13 25.158 0.4 . 1 . . . . 29 LYS CG . 16981 1 334 . 1 1 29 29 LYS N N 15 124.360 0.4 . 1 . . . . 29 LYS N . 16981 1 335 . 1 1 30 30 LEU H H 1 8.195 0.02 . 1 . . . . 30 LEU H . 16981 1 336 . 1 1 30 30 LEU HA H 1 4.186 0.02 . 1 . . . . 30 LEU HA . 16981 1 337 . 1 1 30 30 LEU HB2 H 1 1.608 0.02 . 2 . . . . 30 LEU QB . 16981 1 338 . 1 1 30 30 LEU HB3 H 1 1.608 0.02 . 2 . . . . 30 LEU QB . 16981 1 339 . 1 1 30 30 LEU HD11 H 1 0.884 0.02 . 2 . . . . 30 LEU QD1 . 16981 1 340 . 1 1 30 30 LEU HD12 H 1 0.884 0.02 . 2 . . . . 30 LEU QD1 . 16981 1 341 . 1 1 30 30 LEU HD13 H 1 0.884 0.02 . 2 . . . . 30 LEU QD1 . 16981 1 342 . 1 1 30 30 LEU HD21 H 1 0.814 0.02 . 2 . . . . 30 LEU QD2 . 16981 1 343 . 1 1 30 30 LEU HD22 H 1 0.814 0.02 . 2 . . . . 30 LEU QD2 . 16981 1 344 . 1 1 30 30 LEU HD23 H 1 0.814 0.02 . 2 . . . . 30 LEU QD2 . 16981 1 345 . 1 1 30 30 LEU HG H 1 1.449 0.02 . 1 . . . . 30 LEU HG . 16981 1 346 . 1 1 30 30 LEU CA C 13 57.608 0.4 . 1 . . . . 30 LEU CA . 16981 1 347 . 1 1 30 30 LEU CB C 13 41.864 0.4 . 1 . . . . 30 LEU CB . 16981 1 348 . 1 1 30 30 LEU CD1 C 13 26.235 0.4 . 2 . . . . 30 LEU CD1 . 16981 1 349 . 1 1 30 30 LEU CD2 C 13 24.308 0.4 . 2 . . . . 30 LEU CD2 . 16981 1 350 . 1 1 30 30 LEU CG C 13 27.447 0.4 . 1 . . . . 30 LEU CG . 16981 1 351 . 1 1 30 30 LEU N N 15 120.004 0.4 . 1 . . . . 30 LEU N . 16981 1 352 . 1 1 31 31 TRP H H 1 7.678 0.02 . 1 . . . . 31 TRP H . 16981 1 353 . 1 1 31 31 TRP HA H 1 3.566 0.02 . 1 . . . . 31 TRP HA . 16981 1 354 . 1 1 31 31 TRP HB2 H 1 3.309 0.02 . 2 . . . . 31 TRP HB2 . 16981 1 355 . 1 1 31 31 TRP HB3 H 1 3.108 0.02 . 2 . . . . 31 TRP HB3 . 16981 1 356 . 1 1 31 31 TRP HD1 H 1 6.816 0.02 . 1 . . . . 31 TRP HD1 . 16981 1 357 . 1 1 31 31 TRP HE1 H 1 9.867 0.02 . 1 . . . . 31 TRP HE1 . 16981 1 358 . 1 1 31 31 TRP HE3 H 1 7.087 0.02 . 1 . . . . 31 TRP HE3 . 16981 1 359 . 1 1 31 31 TRP HH2 H 1 7.026 0.02 . 1 . . . . 31 TRP HH2 . 16981 1 360 . 1 1 31 31 TRP HZ2 H 1 7.232 0.02 . 1 . . . . 31 TRP HZ2 . 16981 1 361 . 1 1 31 31 TRP HZ3 H 1 6.935 0.02 . 1 . . . . 31 TRP HZ3 . 16981 1 362 . 1 1 31 31 TRP CA C 13 62.256 0.4 . 1 . . . . 31 TRP CA . 16981 1 363 . 1 1 31 31 TRP CB C 13 29.239 0.4 . 1 . . . . 31 TRP CB . 16981 1 364 . 1 1 31 31 TRP CD1 C 13 127.213 0.4 . 1 . . . . 31 TRP CD1 . 16981 1 365 . 1 1 31 31 TRP CE3 C 13 120.663 0.4 . 1 . . . . 31 TRP CE3 . 16981 1 366 . 1 1 31 31 TRP CH2 C 13 123.932 0.4 . 1 . . . . 31 TRP CH2 . 16981 1 367 . 1 1 31 31 TRP CZ2 C 13 114.335 0.4 . 1 . . . . 31 TRP CZ2 . 16981 1 368 . 1 1 31 31 TRP CZ3 C 13 122.350 0.4 . 1 . . . . 31 TRP CZ3 . 16981 1 369 . 1 1 31 31 TRP N N 15 121.061 0.4 . 1 . . . . 31 TRP N . 16981 1 370 . 1 1 31 31 TRP NE1 N 15 128.945 0.4 . 1 . . . . 31 TRP NE1 . 16981 1 371 . 1 1 32 32 ALA H H 1 7.371 0.02 . 1 . . . . 32 ALA H . 16981 1 372 . 1 1 32 32 ALA HA H 1 3.994 0.02 . 1 . . . . 32 ALA HA . 16981 1 373 . 1 1 32 32 ALA HB1 H 1 1.574 0.02 . 1 . . . . 32 ALA QB . 16981 1 374 . 1 1 32 32 ALA HB2 H 1 1.574 0.02 . 1 . . . . 32 ALA QB . 16981 1 375 . 1 1 32 32 ALA HB3 H 1 1.574 0.02 . 1 . . . . 32 ALA QB . 16981 1 376 . 1 1 32 32 ALA CA C 13 55.270 0.4 . 1 . . . . 32 ALA CA . 16981 1 377 . 1 1 32 32 ALA CB C 13 18.010 0.4 . 1 . . . . 32 ALA CB . 16981 1 378 . 1 1 32 32 ALA N N 15 118.272 0.4 . 1 . . . . 32 ALA N . 16981 1 379 . 1 1 33 33 GLN H H 1 8.409 0.02 . 1 . . . . 33 GLN H . 16981 1 380 . 1 1 33 33 GLN HA H 1 4.001 0.02 . 1 . . . . 33 GLN HA . 16981 1 381 . 1 1 33 33 GLN HB2 H 1 2.167 0.02 . 2 . . . . 33 GLN QB . 16981 1 382 . 1 1 33 33 GLN HB3 H 1 2.167 0.02 . 2 . . . . 33 GLN QB . 16981 1 383 . 1 1 33 33 GLN HE21 H 1 7.145 0.02 . 2 . . . . 33 GLN HE21 . 16981 1 384 . 1 1 33 33 GLN HE22 H 1 6.575 0.02 . 2 . . . . 33 GLN HE22 . 16981 1 385 . 1 1 33 33 GLN HG2 H 1 2.429 0.02 . 2 . . . . 33 GLN HG2 . 16981 1 386 . 1 1 33 33 GLN HG3 H 1 2.146 0.02 . 2 . . . . 33 GLN HG3 . 16981 1 387 . 1 1 33 33 GLN CA C 13 58.904 0.4 . 1 . . . . 33 GLN CA . 16981 1 388 . 1 1 33 33 GLN CB C 13 28.423 0.4 . 1 . . . . 33 GLN CB . 16981 1 389 . 1 1 33 33 GLN CG C 13 33.449 0.4 . 1 . . . . 33 GLN CG . 16981 1 390 . 1 1 33 33 GLN N N 15 119.205 0.4 . 1 . . . . 33 GLN N . 16981 1 391 . 1 1 33 33 GLN NE2 N 15 108.904 0.4 . 1 . . . . 33 GLN NE2 . 16981 1 392 . 1 1 34 34 CYS H H 1 8.203 0.02 . 1 . . . . 34 CYS H . 16981 1 393 . 1 1 34 34 CYS HA H 1 3.901 0.02 . 1 . . . . 34 CYS HA . 16981 1 394 . 1 1 34 34 CYS HB2 H 1 2.914 0.02 . 2 . . . . 34 CYS HB2 . 16981 1 395 . 1 1 34 34 CYS HB3 H 1 2.082 0.02 . 2 . . . . 34 CYS HB3 . 16981 1 396 . 1 1 34 34 CYS CA C 13 64.766 0.4 . 1 . . . . 34 CYS CA . 16981 1 397 . 1 1 34 34 CYS CB C 13 27.214 0.4 . 1 . . . . 34 CYS CB . 16981 1 398 . 1 1 34 34 CYS N N 15 118.080 0.4 . 1 . . . . 34 CYS N . 16981 1 399 . 1 1 35 35 VAL H H 1 7.987 0.02 . 1 . . . . 35 VAL H . 16981 1 400 . 1 1 35 35 VAL HA H 1 3.218 0.02 . 1 . . . . 35 VAL HA . 16981 1 401 . 1 1 35 35 VAL HB H 1 1.741 0.02 . 1 . . . . 35 VAL HB . 16981 1 402 . 1 1 35 35 VAL HG11 H 1 0.631 0.02 . 2 . . . . 35 VAL QG1 . 16981 1 403 . 1 1 35 35 VAL HG12 H 1 0.631 0.02 . 2 . . . . 35 VAL QG1 . 16981 1 404 . 1 1 35 35 VAL HG13 H 1 0.631 0.02 . 2 . . . . 35 VAL QG1 . 16981 1 405 . 1 1 35 35 VAL HG21 H 1 0.109 0.02 . 2 . . . . 35 VAL QG2 . 16981 1 406 . 1 1 35 35 VAL HG22 H 1 0.109 0.02 . 2 . . . . 35 VAL QG2 . 16981 1 407 . 1 1 35 35 VAL HG23 H 1 0.109 0.02 . 2 . . . . 35 VAL QG2 . 16981 1 408 . 1 1 35 35 VAL CA C 13 66.876 0.4 . 1 . . . . 35 VAL CA . 16981 1 409 . 1 1 35 35 VAL CB C 13 31.612 0.4 . 1 . . . . 35 VAL CB . 16981 1 410 . 1 1 35 35 VAL CG1 C 13 21.162 0.4 . 2 . . . . 35 VAL CG1 . 16981 1 411 . 1 1 35 35 VAL CG2 C 13 21.533 0.4 . 2 . . . . 35 VAL CG2 . 16981 1 412 . 1 1 35 35 VAL N N 15 120.168 0.4 . 1 . . . . 35 VAL N . 16981 1 413 . 1 1 36 36 GLN H H 1 7.929 0.02 . 1 . . . . 36 GLN H . 16981 1 414 . 1 1 36 36 GLN HA H 1 3.909 0.02 . 1 . . . . 36 GLN HA . 16981 1 415 . 1 1 36 36 GLN HB2 H 1 2.086 0.02 . 2 . . . . 36 GLN QB . 16981 1 416 . 1 1 36 36 GLN HB3 H 1 2.086 0.02 . 2 . . . . 36 GLN QB . 16981 1 417 . 1 1 36 36 GLN HE21 H 1 7.719 0.02 . 2 . . . . 36 GLN HE21 . 16981 1 418 . 1 1 36 36 GLN HE22 H 1 6.785 0.02 . 2 . . . . 36 GLN HE22 . 16981 1 419 . 1 1 36 36 GLN HG2 H 1 2.290 0.02 . 2 . . . . 36 GLN QG . 16981 1 420 . 1 1 36 36 GLN HG3 H 1 2.290 0.02 . 2 . . . . 36 GLN QG . 16981 1 421 . 1 1 36 36 GLN CA C 13 59.021 0.4 . 1 . . . . 36 GLN CA . 16981 1 422 . 1 1 36 36 GLN CB C 13 28.197 0.4 . 1 . . . . 36 GLN CB . 16981 1 423 . 1 1 36 36 GLN CG C 13 33.665 0.4 . 1 . . . . 36 GLN CG . 16981 1 424 . 1 1 36 36 GLN N N 15 119.648 0.4 . 1 . . . . 36 GLN N . 16981 1 425 . 1 1 36 36 GLN NE2 N 15 115.180 0.4 . 1 . . . . 36 GLN NE2 . 16981 1 426 . 1 1 37 37 LEU H H 1 8.158 0.02 . 1 . . . . 37 LEU H . 16981 1 427 . 1 1 37 37 LEU HA H 1 4.049 0.02 . 1 . . . . 37 LEU HA . 16981 1 428 . 1 1 37 37 LEU HB2 H 1 1.900 0.02 . 2 . . . . 37 LEU HB2 . 16981 1 429 . 1 1 37 37 LEU HB3 H 1 1.228 0.02 . 2 . . . . 37 LEU HB3 . 16981 1 430 . 1 1 37 37 LEU HD11 H 1 0.890 0.02 . 2 . . . . 37 LEU QD1 . 16981 1 431 . 1 1 37 37 LEU HD12 H 1 0.890 0.02 . 2 . . . . 37 LEU QD1 . 16981 1 432 . 1 1 37 37 LEU HD13 H 1 0.890 0.02 . 2 . . . . 37 LEU QD1 . 16981 1 433 . 1 1 37 37 LEU HD21 H 1 0.742 0.02 . 2 . . . . 37 LEU QD2 . 16981 1 434 . 1 1 37 37 LEU HD22 H 1 0.742 0.02 . 2 . . . . 37 LEU QD2 . 16981 1 435 . 1 1 37 37 LEU HD23 H 1 0.742 0.02 . 2 . . . . 37 LEU QD2 . 16981 1 436 . 1 1 37 37 LEU HG H 1 1.736 0.02 . 1 . . . . 37 LEU HG . 16981 1 437 . 1 1 37 37 LEU CA C 13 58.332 0.4 . 1 . . . . 37 LEU CA . 16981 1 438 . 1 1 37 37 LEU CB C 13 43.166 0.4 . 1 . . . . 37 LEU CB . 16981 1 439 . 1 1 37 37 LEU CD1 C 13 23.493 0.4 . 2 . . . . 37 LEU CD1 . 16981 1 440 . 1 1 37 37 LEU CD2 C 13 24.991 0.4 . 2 . . . . 37 LEU CD2 . 16981 1 441 . 1 1 37 37 LEU CG C 13 27.693 0.4 . 1 . . . . 37 LEU CG . 16981 1 442 . 1 1 37 37 LEU N N 15 119.796 0.4 . 1 . . . . 37 LEU N . 16981 1 443 . 1 1 38 38 HIS H H 1 8.159 0.02 . 1 . . . . 38 HIS H . 16981 1 444 . 1 1 38 38 HIS HA H 1 3.937 0.02 . 1 . . . . 38 HIS HA . 16981 1 445 . 1 1 38 38 HIS HB2 H 1 3.177 0.02 . 2 . . . . 38 HIS HB2 . 16981 1 446 . 1 1 38 38 HIS HB3 H 1 2.828 0.02 . 2 . . . . 38 HIS HB3 . 16981 1 447 . 1 1 38 38 HIS HD2 H 1 6.796 0.02 . 1 . . . . 38 HIS HD2 . 16981 1 448 . 1 1 38 38 HIS HE1 H 1 7.640 0.02 . 1 . . . . 38 HIS HE1 . 16981 1 449 . 1 1 38 38 HIS CA C 13 60.936 0.4 . 1 . . . . 38 HIS CA . 16981 1 450 . 1 1 38 38 HIS CB C 13 30.497 0.4 . 1 . . . . 38 HIS CB . 16981 1 451 . 1 1 38 38 HIS CD2 C 13 120.347 0.4 . 1 . . . . 38 HIS CD2 . 16981 1 452 . 1 1 38 38 HIS CE1 C 13 138.487 0.4 . 1 . . . . 38 HIS CE1 . 16981 1 453 . 1 1 38 38 HIS N N 15 117.616 0.4 . 1 . . . . 38 HIS N . 16981 1 454 . 1 1 39 39 ASN H H 1 7.894 0.02 . 1 . . . . 39 ASN H . 16981 1 455 . 1 1 39 39 ASN HA H 1 4.086 0.02 . 1 . . . . 39 ASN HA . 16981 1 456 . 1 1 39 39 ASN HB2 H 1 2.875 0.02 . 2 . . . . 39 ASN HB2 . 16981 1 457 . 1 1 39 39 ASN HB3 H 1 2.801 0.02 . 2 . . . . 39 ASN HB3 . 16981 1 458 . 1 1 39 39 ASN HD21 H 1 6.793 0.02 . 2 . . . . 39 ASN HD21 . 16981 1 459 . 1 1 39 39 ASN HD22 H 1 7.539 0.02 . 2 . . . . 39 ASN HD22 . 16981 1 460 . 1 1 39 39 ASN CA C 13 56.381 0.4 . 1 . . . . 39 ASN CA . 16981 1 461 . 1 1 39 39 ASN CB C 13 38.136 0.4 . 1 . . . . 39 ASN CB . 16981 1 462 . 1 1 39 39 ASN N N 15 117.782 0.4 . 1 . . . . 39 ASN N . 16981 1 463 . 1 1 39 39 ASN ND2 N 15 112.606 0.4 . 1 . . . . 39 ASN ND2 . 16981 1 464 . 1 1 40 40 ASP H H 1 8.341 0.02 . 1 . . . . 40 ASP H . 16981 1 465 . 1 1 40 40 ASP HA H 1 4.168 0.02 . 1 . . . . 40 ASP HA . 16981 1 466 . 1 1 40 40 ASP HB2 H 1 2.923 0.02 . 2 . . . . 40 ASP HB2 . 16981 1 467 . 1 1 40 40 ASP HB3 H 1 2.345 0.02 . 2 . . . . 40 ASP HB3 . 16981 1 468 . 1 1 40 40 ASP CA C 13 56.944 0.4 . 1 . . . . 40 ASP CA . 16981 1 469 . 1 1 40 40 ASP CB C 13 40.267 0.4 . 1 . . . . 40 ASP CB . 16981 1 470 . 1 1 40 40 ASP N N 15 119.270 0.4 . 1 . . . . 40 ASP N . 16981 1 471 . 1 1 41 41 ILE H H 1 8.159 0.02 . 1 . . . . 41 ILE H . 16981 1 472 . 1 1 41 41 ILE HA H 1 3.238 0.02 . 1 . . . . 41 ILE HA . 16981 1 473 . 1 1 41 41 ILE HB H 1 1.821 0.02 . 1 . . . . 41 ILE HB . 16981 1 474 . 1 1 41 41 ILE HD11 H 1 0.701 0.02 . 1 . . . . 41 ILE QD1 . 16981 1 475 . 1 1 41 41 ILE HD12 H 1 0.701 0.02 . 1 . . . . 41 ILE QD1 . 16981 1 476 . 1 1 41 41 ILE HD13 H 1 0.701 0.02 . 1 . . . . 41 ILE QD1 . 16981 1 477 . 1 1 41 41 ILE HG12 H 1 0.857 0.02 . 2 . . . . 41 ILE QG1 . 16981 1 478 . 1 1 41 41 ILE HG13 H 1 0.857 0.02 . 2 . . . . 41 ILE QG1 . 16981 1 479 . 1 1 41 41 ILE HG21 H 1 0.679 0.02 . 1 . . . . 41 ILE QG2 . 16981 1 480 . 1 1 41 41 ILE HG22 H 1 0.679 0.02 . 1 . . . . 41 ILE QG2 . 16981 1 481 . 1 1 41 41 ILE HG23 H 1 0.679 0.02 . 1 . . . . 41 ILE QG2 . 16981 1 482 . 1 1 41 41 ILE CA C 13 66.121 0.4 . 1 . . . . 41 ILE CA . 16981 1 483 . 1 1 41 41 ILE CB C 13 37.892 0.4 . 1 . . . . 41 ILE CB . 16981 1 484 . 1 1 41 41 ILE CD1 C 13 15.768 0.4 . 1 . . . . 41 ILE CD1 . 16981 1 485 . 1 1 41 41 ILE CG1 C 13 31.459 0.4 . 1 . . . . 41 ILE CG1 . 16981 1 486 . 1 1 41 41 ILE CG2 C 13 18.115 0.4 . 1 . . . . 41 ILE CG2 . 16981 1 487 . 1 1 41 41 ILE N N 15 122.298 0.4 . 1 . . . . 41 ILE N . 16981 1 488 . 1 1 42 42 LEU H H 1 7.332 0.02 . 1 . . . . 42 LEU H . 16981 1 489 . 1 1 42 42 LEU HA H 1 3.782 0.02 . 1 . . . . 42 LEU HA . 16981 1 490 . 1 1 42 42 LEU HB2 H 1 1.659 0.02 . 2 . . . . 42 LEU HB2 . 16981 1 491 . 1 1 42 42 LEU HB3 H 1 1.325 0.02 . 2 . . . . 42 LEU HB3 . 16981 1 492 . 1 1 42 42 LEU HD11 H 1 0.597 0.02 . 2 . . . . 42 LEU QD1 . 16981 1 493 . 1 1 42 42 LEU HD12 H 1 0.597 0.02 . 2 . . . . 42 LEU QD1 . 16981 1 494 . 1 1 42 42 LEU HD13 H 1 0.597 0.02 . 2 . . . . 42 LEU QD1 . 16981 1 495 . 1 1 42 42 LEU HD21 H 1 0.605 0.02 . 2 . . . . 42 LEU QD2 . 16981 1 496 . 1 1 42 42 LEU HD22 H 1 0.605 0.02 . 2 . . . . 42 LEU QD2 . 16981 1 497 . 1 1 42 42 LEU HD23 H 1 0.605 0.02 . 2 . . . . 42 LEU QD2 . 16981 1 498 . 1 1 42 42 LEU HG H 1 1.380 0.02 . 1 . . . . 42 LEU HG . 16981 1 499 . 1 1 42 42 LEU CA C 13 57.475 0.4 . 1 . . . . 42 LEU CA . 16981 1 500 . 1 1 42 42 LEU CB C 13 40.896 0.4 . 1 . . . . 42 LEU CB . 16981 1 501 . 1 1 42 42 LEU CD1 C 13 25.157 0.4 . 2 . . . . 42 LEU CD1 . 16981 1 502 . 1 1 42 42 LEU CD2 C 13 23.032 0.4 . 2 . . . . 42 LEU CD2 . 16981 1 503 . 1 1 42 42 LEU CG C 13 27.037 0.4 . 1 . . . . 42 LEU CG . 16981 1 504 . 1 1 42 42 LEU N N 15 118.669 0.4 . 1 . . . . 42 LEU N . 16981 1 505 . 1 1 43 43 LEU H H 1 7.285 0.02 . 1 . . . . 43 LEU H . 16981 1 506 . 1 1 43 43 LEU HA H 1 4.186 0.02 . 1 . . . . 43 LEU HA . 16981 1 507 . 1 1 43 43 LEU HB2 H 1 1.559 0.02 . 2 . . . . 43 LEU QB . 16981 1 508 . 1 1 43 43 LEU HB3 H 1 1.559 0.02 . 2 . . . . 43 LEU QB . 16981 1 509 . 1 1 43 43 LEU HD11 H 1 0.748 0.02 . 2 . . . . 43 LEU QD1 . 16981 1 510 . 1 1 43 43 LEU HD12 H 1 0.748 0.02 . 2 . . . . 43 LEU QD1 . 16981 1 511 . 1 1 43 43 LEU HD13 H 1 0.748 0.02 . 2 . . . . 43 LEU QD1 . 16981 1 512 . 1 1 43 43 LEU HD21 H 1 0.692 0.02 . 2 . . . . 43 LEU QD2 . 16981 1 513 . 1 1 43 43 LEU HD22 H 1 0.692 0.02 . 2 . . . . 43 LEU QD2 . 16981 1 514 . 1 1 43 43 LEU HD23 H 1 0.692 0.02 . 2 . . . . 43 LEU QD2 . 16981 1 515 . 1 1 43 43 LEU HG H 1 1.593 0.02 . 1 . . . . 43 LEU HG . 16981 1 516 . 1 1 43 43 LEU CA C 13 54.182 0.4 . 1 . . . . 43 LEU CA . 16981 1 517 . 1 1 43 43 LEU CB C 13 42.206 0.4 . 1 . . . . 43 LEU CB . 16981 1 518 . 1 1 43 43 LEU CD1 C 13 25.230 0.4 . 2 . . . . 43 LEU CD1 . 16981 1 519 . 1 1 43 43 LEU CD2 C 13 22.515 0.4 . 2 . . . . 43 LEU CD2 . 16981 1 520 . 1 1 43 43 LEU CG C 13 26.831 0.4 . 1 . . . . 43 LEU CG . 16981 1 521 . 1 1 43 43 LEU N N 15 115.962 0.4 . 1 . . . . 43 LEU N . 16981 1 522 . 1 1 44 44 ALA H H 1 7.130 0.02 . 1 . . . . 44 ALA H . 16981 1 523 . 1 1 44 44 ALA HA H 1 4.021 0.02 . 1 . . . . 44 ALA HA . 16981 1 524 . 1 1 44 44 ALA HB1 H 1 1.299 0.02 . 1 . . . . 44 ALA QB . 16981 1 525 . 1 1 44 44 ALA HB2 H 1 1.299 0.02 . 1 . . . . 44 ALA QB . 16981 1 526 . 1 1 44 44 ALA HB3 H 1 1.299 0.02 . 1 . . . . 44 ALA QB . 16981 1 527 . 1 1 44 44 ALA CA C 13 52.887 0.4 . 1 . . . . 44 ALA CA . 16981 1 528 . 1 1 44 44 ALA CB C 13 18.384 0.4 . 1 . . . . 44 ALA CB . 16981 1 529 . 1 1 44 44 ALA N N 15 123.595 0.4 . 1 . . . . 44 ALA N . 16981 1 530 . 1 1 45 45 LYS H H 1 8.705 0.02 . 1 . . . . 45 LYS H . 16981 1 531 . 1 1 45 45 LYS HA H 1 4.026 0.02 . 1 . . . . 45 LYS HA . 16981 1 532 . 1 1 45 45 LYS HB2 H 1 1.762 0.02 . 2 . . . . 45 LYS QB . 16981 1 533 . 1 1 45 45 LYS HB3 H 1 1.762 0.02 . 2 . . . . 45 LYS QB . 16981 1 534 . 1 1 45 45 LYS HD2 H 1 1.615 0.02 . 2 . . . . 45 LYS QD . 16981 1 535 . 1 1 45 45 LYS HD3 H 1 1.615 0.02 . 2 . . . . 45 LYS QD . 16981 1 536 . 1 1 45 45 LYS HE2 H 1 2.938 0.02 . 2 . . . . 45 LYS QE . 16981 1 537 . 1 1 45 45 LYS HE3 H 1 2.938 0.02 . 2 . . . . 45 LYS QE . 16981 1 538 . 1 1 45 45 LYS HG2 H 1 1.441 0.02 . 2 . . . . 45 LYS HG2 . 16981 1 539 . 1 1 45 45 LYS HG3 H 1 1.400 0.02 . 2 . . . . 45 LYS HG3 . 16981 1 540 . 1 1 45 45 LYS CA C 13 57.839 0.4 . 1 . . . . 45 LYS CA . 16981 1 541 . 1 1 45 45 LYS CB C 13 32.838 0.4 . 1 . . . . 45 LYS CB . 16981 1 542 . 1 1 45 45 LYS CD C 13 28.823 0.4 . 1 . . . . 45 LYS CD . 16981 1 543 . 1 1 45 45 LYS CE C 13 41.996 0.4 . 1 . . . . 45 LYS CE . 16981 1 544 . 1 1 45 45 LYS CG C 13 24.537 0.4 . 1 . . . . 45 LYS CG . 16981 1 545 . 1 1 45 45 LYS N N 15 121.525 0.4 . 1 . . . . 45 LYS N . 16981 1 546 . 1 1 46 46 ASP H H 1 7.489 0.02 . 1 . . . . 46 ASP H . 16981 1 547 . 1 1 46 46 ASP HA H 1 4.623 0.02 . 1 . . . . 46 ASP HA . 16981 1 548 . 1 1 46 46 ASP HB2 H 1 2.864 0.02 . 2 . . . . 46 ASP HB2 . 16981 1 549 . 1 1 46 46 ASP HB3 H 1 2.761 0.02 . 2 . . . . 46 ASP HB3 . 16981 1 550 . 1 1 46 46 ASP CA C 13 52.613 0.4 . 1 . . . . 46 ASP CA . 16981 1 551 . 1 1 46 46 ASP CB C 13 42.859 0.4 . 1 . . . . 46 ASP CB . 16981 1 552 . 1 1 46 46 ASP N N 15 115.238 0.4 . 1 . . . . 46 ASP N . 16981 1 553 . 1 1 47 47 THR H H 1 8.483 0.02 . 1 . . . . 47 THR H . 16981 1 554 . 1 1 47 47 THR HA H 1 3.588 0.02 . 1 . . . . 47 THR HA . 16981 1 555 . 1 1 47 47 THR HB H 1 4.031 0.02 . 1 . . . . 47 THR HB . 16981 1 556 . 1 1 47 47 THR HG21 H 1 1.095 0.02 . 1 . . . . 47 THR QG2 . 16981 1 557 . 1 1 47 47 THR HG22 H 1 1.095 0.02 . 1 . . . . 47 THR QG2 . 16981 1 558 . 1 1 47 47 THR HG23 H 1 1.095 0.02 . 1 . . . . 47 THR QG2 . 16981 1 559 . 1 1 47 47 THR CA C 13 65.938 0.4 . 1 . . . . 47 THR CA . 16981 1 560 . 1 1 47 47 THR CB C 13 68.871 0.4 . 1 . . . . 47 THR CB . 16981 1 561 . 1 1 47 47 THR CG2 C 13 22.772 0.4 . 1 . . . . 47 THR CG2 . 16981 1 562 . 1 1 47 47 THR N N 15 115.846 0.4 . 1 . . . . 47 THR N . 16981 1 563 . 1 1 48 48 THR H H 1 7.951 0.02 . 1 . . . . 48 THR H . 16981 1 564 . 1 1 48 48 THR HA H 1 4.156 0.02 . 1 . . . . 48 THR HA . 16981 1 565 . 1 1 48 48 THR HB H 1 3.760 0.02 . 1 . . . . 48 THR HB . 16981 1 566 . 1 1 48 48 THR HG21 H 1 1.172 0.02 . 1 . . . . 48 THR QG2 . 16981 1 567 . 1 1 48 48 THR HG22 H 1 1.172 0.02 . 1 . . . . 48 THR QG2 . 16981 1 568 . 1 1 48 48 THR HG23 H 1 1.172 0.02 . 1 . . . . 48 THR QG2 . 16981 1 569 . 1 1 48 48 THR CA C 13 68.100 0.4 . 1 . . . . 48 THR CA . 16981 1 570 . 1 1 48 48 THR CB C 13 67.800 0.4 . 1 . . . . 48 THR CB . 16981 1 571 . 1 1 48 48 THR CG2 C 13 22.087 0.4 . 1 . . . . 48 THR CG2 . 16981 1 572 . 1 1 48 48 THR N N 15 118.524 0.4 . 1 . . . . 48 THR N . 16981 1 573 . 1 1 49 49 GLU H H 1 8.189 0.02 . 1 . . . . 49 GLU H . 16981 1 574 . 1 1 49 49 GLU HA H 1 3.950 0.02 . 1 . . . . 49 GLU HA . 16981 1 575 . 1 1 49 49 GLU HB2 H 1 2.033 0.02 . 2 . . . . 49 GLU HB2 . 16981 1 576 . 1 1 49 49 GLU HB3 H 1 1.907 0.02 . 2 . . . . 49 GLU HB3 . 16981 1 577 . 1 1 49 49 GLU HG2 H 1 1.993 0.02 . 2 . . . . 49 GLU HG2 . 16981 1 578 . 1 1 49 49 GLU HG3 H 1 1.970 0.02 . 2 . . . . 49 GLU HG3 . 16981 1 579 . 1 1 49 49 GLU CA C 13 59.139 0.4 . 1 . . . . 49 GLU CA . 16981 1 580 . 1 1 49 49 GLU CB C 13 30.008 0.4 . 1 . . . . 49 GLU CB . 16981 1 581 . 1 1 49 49 GLU CG C 13 36.583 0.4 . 1 . . . . 49 GLU CG . 16981 1 582 . 1 1 49 49 GLU N N 15 121.970 0.4 . 1 . . . . 49 GLU N . 16981 1 583 . 1 1 50 50 ALA H H 1 7.731 0.02 . 1 . . . . 50 ALA H . 16981 1 584 . 1 1 50 50 ALA HA H 1 3.643 0.02 . 1 . . . . 50 ALA HA . 16981 1 585 . 1 1 50 50 ALA HB1 H 1 1.150 0.02 . 1 . . . . 50 ALA QB . 16981 1 586 . 1 1 50 50 ALA HB2 H 1 1.150 0.02 . 1 . . . . 50 ALA QB . 16981 1 587 . 1 1 50 50 ALA HB3 H 1 1.150 0.02 . 1 . . . . 50 ALA QB . 16981 1 588 . 1 1 50 50 ALA CA C 13 55.702 0.4 . 1 . . . . 50 ALA CA . 16981 1 589 . 1 1 50 50 ALA CB C 13 17.462 0.4 . 1 . . . . 50 ALA CB . 16981 1 590 . 1 1 50 50 ALA N N 15 120.104 0.4 . 1 . . . . 50 ALA N . 16981 1 591 . 1 1 51 51 PHE H H 1 8.154 0.02 . 1 . . . . 51 PHE H . 16981 1 592 . 1 1 51 51 PHE HA H 1 4.129 0.02 . 1 . . . . 51 PHE HA . 16981 1 593 . 1 1 51 51 PHE HB2 H 1 2.601 0.02 . 2 . . . . 51 PHE HB2 . 16981 1 594 . 1 1 51 51 PHE HB3 H 1 2.407 0.02 . 2 . . . . 51 PHE HB3 . 16981 1 595 . 1 1 51 51 PHE HD1 H 1 7.115 0.02 . 3 . . . . 51 PHE QD . 16981 1 596 . 1 1 51 51 PHE HD2 H 1 7.115 0.02 . 3 . . . . 51 PHE QD . 16981 1 597 . 1 1 51 51 PHE HE1 H 1 7.197 0.02 . 3 . . . . 51 PHE QE . 16981 1 598 . 1 1 51 51 PHE HE2 H 1 7.197 0.02 . 3 . . . . 51 PHE QE . 16981 1 599 . 1 1 51 51 PHE HZ H 1 7.238 0.02 . 1 . . . . 51 PHE HZ . 16981 1 600 . 1 1 51 51 PHE CA C 13 61.327 0.4 . 1 . . . . 51 PHE CA . 16981 1 601 . 1 1 51 51 PHE CB C 13 38.555 0.4 . 1 . . . . 51 PHE CB . 16981 1 602 . 1 1 51 51 PHE CD1 C 13 131.056 0.4 . 3 . . . . 51 PHE CD1 . 16981 1 603 . 1 1 51 51 PHE CE1 C 13 131.027 0.4 . 3 . . . . 51 PHE CE1 . 16981 1 604 . 1 1 51 51 PHE CZ C 13 130.228 0.4 . 1 . . . . 51 PHE CZ . 16981 1 605 . 1 1 51 51 PHE N N 15 115.725 0.4 . 1 . . . . 51 PHE N . 16981 1 606 . 1 1 52 52 GLU H H 1 8.247 0.02 . 1 . . . . 52 GLU H . 16981 1 607 . 1 1 52 52 GLU HA H 1 3.442 0.02 . 1 . . . . 52 GLU HA . 16981 1 608 . 1 1 52 52 GLU HB2 H 1 1.914 0.02 . 2 . . . . 52 GLU HB2 . 16981 1 609 . 1 1 52 52 GLU HB3 H 1 1.858 0.02 . 2 . . . . 52 GLU HB3 . 16981 1 610 . 1 1 52 52 GLU HG2 H 1 2.185 0.02 . 2 . . . . 52 GLU HG2 . 16981 1 611 . 1 1 52 52 GLU HG3 H 1 1.906 0.02 . 2 . . . . 52 GLU HG3 . 16981 1 612 . 1 1 52 52 GLU CA C 13 60.194 0.4 . 1 . . . . 52 GLU CA . 16981 1 613 . 1 1 52 52 GLU CB C 13 29.372 0.4 . 1 . . . . 52 GLU CB . 16981 1 614 . 1 1 52 52 GLU CG C 13 36.480 0.4 . 1 . . . . 52 GLU CG . 16981 1 615 . 1 1 52 52 GLU N N 15 119.697 0.4 . 1 . . . . 52 GLU N . 16981 1 616 . 1 1 53 53 LYS H H 1 8.060 0.02 . 1 . . . . 53 LYS H . 16981 1 617 . 1 1 53 53 LYS HA H 1 3.990 0.02 . 1 . . . . 53 LYS HA . 16981 1 618 . 1 1 53 53 LYS HB2 H 1 1.828 0.02 . 2 . . . . 53 LYS HB2 . 16981 1 619 . 1 1 53 53 LYS HB3 H 1 1.571 0.02 . 2 . . . . 53 LYS HB3 . 16981 1 620 . 1 1 53 53 LYS HD2 H 1 1.560 0.02 . 2 . . . . 53 LYS HD2 . 16981 1 621 . 1 1 53 53 LYS HD3 H 1 1.327 0.02 . 2 . . . . 53 LYS HD3 . 16981 1 622 . 1 1 53 53 LYS HE2 H 1 2.860 0.02 . 2 . . . . 53 LYS HE2 . 16981 1 623 . 1 1 53 53 LYS HE3 H 1 2.827 0.02 . 2 . . . . 53 LYS HE3 . 16981 1 624 . 1 1 53 53 LYS HG2 H 1 1.478 0.02 . 2 . . . . 53 LYS HG2 . 16981 1 625 . 1 1 53 53 LYS HG3 H 1 1.403 0.02 . 2 . . . . 53 LYS HG3 . 16981 1 626 . 1 1 53 53 LYS CA C 13 59.250 0.4 . 1 . . . . 53 LYS CA . 16981 1 627 . 1 1 53 53 LYS CB C 13 33.458 0.4 . 1 . . . . 53 LYS CB . 16981 1 628 . 1 1 53 53 LYS CD C 13 29.131 0.4 . 1 . . . . 53 LYS CD . 16981 1 629 . 1 1 53 53 LYS CE C 13 42.282 0.4 . 1 . . . . 53 LYS CE . 16981 1 630 . 1 1 53 53 LYS CG C 13 26.460 0.4 . 1 . . . . 53 LYS CG . 16981 1 631 . 1 1 53 53 LYS N N 15 118.723 0.4 . 1 . . . . 53 LYS N . 16981 1 632 . 1 1 54 54 MET H H 1 8.515 0.02 . 1 . . . . 54 MET H . 16981 1 633 . 1 1 54 54 MET HA H 1 4.000 0.02 . 1 . . . . 54 MET HA . 16981 1 634 . 1 1 54 54 MET HB2 H 1 2.075 0.02 . 2 . . . . 54 MET HB2 . 16981 1 635 . 1 1 54 54 MET HB3 H 1 2.241 0.02 . 2 . . . . 54 MET HB3 . 16981 1 636 . 1 1 54 54 MET HE1 H 1 1.835 0.02 . 1 . . . . 54 MET QE . 16981 1 637 . 1 1 54 54 MET HE2 H 1 1.835 0.02 . 1 . . . . 54 MET QE . 16981 1 638 . 1 1 54 54 MET HE3 H 1 1.835 0.02 . 1 . . . . 54 MET QE . 16981 1 639 . 1 1 54 54 MET HG2 H 1 2.530 0.02 . 2 . . . . 54 MET QG . 16981 1 640 . 1 1 54 54 MET HG3 H 1 2.530 0.02 . 2 . . . . 54 MET QG . 16981 1 641 . 1 1 54 54 MET CA C 13 59.600 0.4 . 1 . . . . 54 MET CA . 16981 1 642 . 1 1 54 54 MET CB C 13 33.449 0.4 . 1 . . . . 54 MET CB . 16981 1 643 . 1 1 54 54 MET CE C 13 17.589 0.4 . 1 . . . . 54 MET CE . 16981 1 644 . 1 1 54 54 MET CG C 13 32.860 0.4 . 1 . . . . 54 MET CG . 16981 1 645 . 1 1 54 54 MET N N 15 122.377 0.4 . 1 . . . . 54 MET N . 16981 1 646 . 1 1 55 55 VAL H H 1 8.537 0.02 . 1 . . . . 55 VAL H . 16981 1 647 . 1 1 55 55 VAL HA H 1 3.369 0.02 . 1 . . . . 55 VAL HA . 16981 1 648 . 1 1 55 55 VAL HB H 1 2.297 0.02 . 1 . . . . 55 VAL HB . 16981 1 649 . 1 1 55 55 VAL HG11 H 1 1.113 0.02 . 2 . . . . 55 VAL QG1 . 16981 1 650 . 1 1 55 55 VAL HG12 H 1 1.113 0.02 . 2 . . . . 55 VAL QG1 . 16981 1 651 . 1 1 55 55 VAL HG13 H 1 1.113 0.02 . 2 . . . . 55 VAL QG1 . 16981 1 652 . 1 1 55 55 VAL HG21 H 1 0.906 0.02 . 2 . . . . 55 VAL QG2 . 16981 1 653 . 1 1 55 55 VAL HG22 H 1 0.906 0.02 . 2 . . . . 55 VAL QG2 . 16981 1 654 . 1 1 55 55 VAL HG23 H 1 0.906 0.02 . 2 . . . . 55 VAL QG2 . 16981 1 655 . 1 1 55 55 VAL CA C 13 67.682 0.4 . 1 . . . . 55 VAL CA . 16981 1 656 . 1 1 55 55 VAL CB C 13 31.292 0.4 . 1 . . . . 55 VAL CB . 16981 1 657 . 1 1 55 55 VAL CG1 C 13 24.798 0.4 . 2 . . . . 55 VAL CG1 . 16981 1 658 . 1 1 55 55 VAL CG2 C 13 21.845 0.4 . 2 . . . . 55 VAL CG2 . 16981 1 659 . 1 1 55 55 VAL N N 15 119.577 0.4 . 1 . . . . 55 VAL N . 16981 1 660 . 1 1 56 56 SER H H 1 7.840 0.02 . 1 . . . . 56 SER H . 16981 1 661 . 1 1 56 56 SER HA H 1 4.048 0.02 . 1 . . . . 56 SER HA . 16981 1 662 . 1 1 56 56 SER HB2 H 1 4.101 0.02 . 2 . . . . 56 SER HB2 . 16981 1 663 . 1 1 56 56 SER HB3 H 1 3.919 0.02 . 2 . . . . 56 SER HB3 . 16981 1 664 . 1 1 56 56 SER CA C 13 62.652 0.4 . 1 . . . . 56 SER CA . 16981 1 665 . 1 1 56 56 SER CB C 13 62.560 0.4 . 1 . . . . 56 SER CB . 16981 1 666 . 1 1 56 56 SER N N 15 117.478 0.4 . 1 . . . . 56 SER N . 16981 1 667 . 1 1 57 57 LEU H H 1 8.133 0.02 . 1 . . . . 57 LEU H . 16981 1 668 . 1 1 57 57 LEU HA H 1 3.908 0.02 . 1 . . . . 57 LEU HA . 16981 1 669 . 1 1 57 57 LEU HB2 H 1 1.976 0.02 . 2 . . . . 57 LEU HB2 . 16981 1 670 . 1 1 57 57 LEU HB3 H 1 1.401 0.02 . 2 . . . . 57 LEU HB3 . 16981 1 671 . 1 1 57 57 LEU HD11 H 1 0.857 0.02 . 2 . . . . 57 LEU QD1 . 16981 1 672 . 1 1 57 57 LEU HD12 H 1 0.857 0.02 . 2 . . . . 57 LEU QD1 . 16981 1 673 . 1 1 57 57 LEU HD13 H 1 0.857 0.02 . 2 . . . . 57 LEU QD1 . 16981 1 674 . 1 1 57 57 LEU HD21 H 1 0.683 0.02 . 2 . . . . 57 LEU QD2 . 16981 1 675 . 1 1 57 57 LEU HD22 H 1 0.683 0.02 . 2 . . . . 57 LEU QD2 . 16981 1 676 . 1 1 57 57 LEU HD23 H 1 0.683 0.02 . 2 . . . . 57 LEU QD2 . 16981 1 677 . 1 1 57 57 LEU HG H 1 1.333 0.02 . 1 . . . . 57 LEU HG . 16981 1 678 . 1 1 57 57 LEU CA C 13 58.553 0.4 . 1 . . . . 57 LEU CA . 16981 1 679 . 1 1 57 57 LEU CB C 13 41.799 0.4 . 1 . . . . 57 LEU CB . 16981 1 680 . 1 1 57 57 LEU CD1 C 13 23.878 0.4 . 2 . . . . 57 LEU CD1 . 16981 1 681 . 1 1 57 57 LEU CD2 C 13 25.847 0.4 . 2 . . . . 57 LEU CD2 . 16981 1 682 . 1 1 57 57 LEU CG C 13 27.939 0.4 . 1 . . . . 57 LEU CG . 16981 1 683 . 1 1 57 57 LEU N N 15 122.417 0.4 . 1 . . . . 57 LEU N . 16981 1 684 . 1 1 58 58 LEU H H 1 8.398 0.02 . 1 . . . . 58 LEU H . 16981 1 685 . 1 1 58 58 LEU HA H 1 3.760 0.02 . 1 . . . . 58 LEU HA . 16981 1 686 . 1 1 58 58 LEU HB2 H 1 1.764 0.02 . 2 . . . . 58 LEU HB2 . 16981 1 687 . 1 1 58 58 LEU HB3 H 1 1.243 0.02 . 2 . . . . 58 LEU HB3 . 16981 1 688 . 1 1 58 58 LEU HD11 H 1 0.812 0.02 . 2 . . . . 58 LEU QD1 . 16981 1 689 . 1 1 58 58 LEU HD12 H 1 0.812 0.02 . 2 . . . . 58 LEU QD1 . 16981 1 690 . 1 1 58 58 LEU HD13 H 1 0.812 0.02 . 2 . . . . 58 LEU QD1 . 16981 1 691 . 1 1 58 58 LEU HD21 H 1 0.567 0.02 . 2 . . . . 58 LEU QD2 . 16981 1 692 . 1 1 58 58 LEU HD22 H 1 0.567 0.02 . 2 . . . . 58 LEU QD2 . 16981 1 693 . 1 1 58 58 LEU HD23 H 1 0.567 0.02 . 2 . . . . 58 LEU QD2 . 16981 1 694 . 1 1 58 58 LEU HG H 1 1.885 0.02 . 1 . . . . 58 LEU HG . 16981 1 695 . 1 1 58 58 LEU CA C 13 58.279 0.4 . 1 . . . . 58 LEU CA . 16981 1 696 . 1 1 58 58 LEU CB C 13 41.667 0.4 . 1 . . . . 58 LEU CB . 16981 1 697 . 1 1 58 58 LEU CD1 C 13 26.626 0.4 . 2 . . . . 58 LEU CD1 . 16981 1 698 . 1 1 58 58 LEU CD2 C 13 23.069 0.4 . 2 . . . . 58 LEU CD2 . 16981 1 699 . 1 1 58 58 LEU CG C 13 27.670 0.4 . 1 . . . . 58 LEU CG . 16981 1 700 . 1 1 58 58 LEU N N 15 116.153 0.4 . 1 . . . . 58 LEU N . 16981 1 701 . 1 1 59 59 SER H H 1 8.445 0.02 . 1 . . . . 59 SER H . 16981 1 702 . 1 1 59 59 SER HA H 1 3.966 0.02 . 1 . . . . 59 SER HA . 16981 1 703 . 1 1 59 59 SER HB2 H 1 3.736 0.02 . 2 . . . . 59 SER QB . 16981 1 704 . 1 1 59 59 SER HB3 H 1 3.736 0.02 . 2 . . . . 59 SER QB . 16981 1 705 . 1 1 59 59 SER CA C 13 63.057 0.4 . 1 . . . . 59 SER CA . 16981 1 706 . 1 1 59 59 SER CB C 13 63.049 0.4 . 1 . . . . 59 SER CB . 16981 1 707 . 1 1 59 59 SER N N 15 114.131 0.4 . 1 . . . . 59 SER N . 16981 1 708 . 1 1 60 60 VAL H H 1 8.182 0.02 . 1 . . . . 60 VAL H . 16981 1 709 . 1 1 60 60 VAL HA H 1 3.753 0.02 . 1 . . . . 60 VAL HA . 16981 1 710 . 1 1 60 60 VAL HB H 1 2.127 0.02 . 1 . . . . 60 VAL HB . 16981 1 711 . 1 1 60 60 VAL HG11 H 1 0.914 0.02 . 2 . . . . 60 VAL QG1 . 16981 1 712 . 1 1 60 60 VAL HG12 H 1 0.914 0.02 . 2 . . . . 60 VAL QG1 . 16981 1 713 . 1 1 60 60 VAL HG13 H 1 0.914 0.02 . 2 . . . . 60 VAL QG1 . 16981 1 714 . 1 1 60 60 VAL HG21 H 1 0.798 0.02 . 2 . . . . 60 VAL QG2 . 16981 1 715 . 1 1 60 60 VAL HG22 H 1 0.798 0.02 . 2 . . . . 60 VAL QG2 . 16981 1 716 . 1 1 60 60 VAL HG23 H 1 0.798 0.02 . 2 . . . . 60 VAL QG2 . 16981 1 717 . 1 1 60 60 VAL CA C 13 66.329 0.4 . 1 . . . . 60 VAL CA . 16981 1 718 . 1 1 60 60 VAL CB C 13 31.205 0.4 . 1 . . . . 60 VAL CB . 16981 1 719 . 1 1 60 60 VAL CG1 C 13 22.588 0.4 . 2 . . . . 60 VAL CG1 . 16981 1 720 . 1 1 60 60 VAL CG2 C 13 21.428 0.4 . 2 . . . . 60 VAL CG2 . 16981 1 721 . 1 1 60 60 VAL N N 15 123.583 0.4 . 1 . . . . 60 VAL N . 16981 1 722 . 1 1 61 61 LEU H H 1 7.398 0.02 . 1 . . . . 61 LEU H . 16981 1 723 . 1 1 61 61 LEU HA H 1 3.949 0.02 . 1 . . . . 61 LEU HA . 16981 1 724 . 1 1 61 61 LEU HB2 H 1 1.103 0.02 . 2 . . . . 61 LEU HB2 . 16981 1 725 . 1 1 61 61 LEU HB3 H 1 1.867 0.02 . 2 . . . . 61 LEU HB3 . 16981 1 726 . 1 1 61 61 LEU HD11 H 1 0.486 0.02 . 2 . . . . 61 LEU QD1 . 16981 1 727 . 1 1 61 61 LEU HD12 H 1 0.486 0.02 . 2 . . . . 61 LEU QD1 . 16981 1 728 . 1 1 61 61 LEU HD13 H 1 0.486 0.02 . 2 . . . . 61 LEU QD1 . 16981 1 729 . 1 1 61 61 LEU HD21 H 1 0.677 0.02 . 2 . . . . 61 LEU QD2 . 16981 1 730 . 1 1 61 61 LEU HD22 H 1 0.677 0.02 . 2 . . . . 61 LEU QD2 . 16981 1 731 . 1 1 61 61 LEU HD23 H 1 0.677 0.02 . 2 . . . . 61 LEU QD2 . 16981 1 732 . 1 1 61 61 LEU HG H 1 1.844 0.02 . 1 . . . . 61 LEU HG . 16981 1 733 . 1 1 61 61 LEU CA C 13 57.916 0.4 . 1 . . . . 61 LEU CA . 16981 1 734 . 1 1 61 61 LEU CB C 13 41.990 0.4 . 1 . . . . 61 LEU CB . 16981 1 735 . 1 1 61 61 LEU CD1 C 13 24.570 0.4 . 2 . . . . 61 LEU CD1 . 16981 1 736 . 1 1 61 61 LEU CD2 C 13 22.509 0.4 . 2 . . . . 61 LEU CD2 . 16981 1 737 . 1 1 61 61 LEU CG C 13 26.330 0.4 . 1 . . . . 61 LEU CG . 16981 1 738 . 1 1 61 61 LEU N N 15 119.896 0.4 . 1 . . . . 61 LEU N . 16981 1 739 . 1 1 62 62 LEU H H 1 8.158 0.02 . 1 . . . . 62 LEU H . 16981 1 740 . 1 1 62 62 LEU HA H 1 3.891 0.02 . 1 . . . . 62 LEU HA . 16981 1 741 . 1 1 62 62 LEU HB2 H 1 1.876 0.02 . 2 . . . . 62 LEU HB2 . 16981 1 742 . 1 1 62 62 LEU HB3 H 1 1.268 0.02 . 2 . . . . 62 LEU HB3 . 16981 1 743 . 1 1 62 62 LEU HD11 H 1 0.845 0.02 . 2 . . . . 62 LEU QD1 . 16981 1 744 . 1 1 62 62 LEU HD12 H 1 0.845 0.02 . 2 . . . . 62 LEU QD1 . 16981 1 745 . 1 1 62 62 LEU HD13 H 1 0.845 0.02 . 2 . . . . 62 LEU QD1 . 16981 1 746 . 1 1 62 62 LEU HD21 H 1 0.678 0.02 . 2 . . . . 62 LEU QD2 . 16981 1 747 . 1 1 62 62 LEU HD22 H 1 0.678 0.02 . 2 . . . . 62 LEU QD2 . 16981 1 748 . 1 1 62 62 LEU HD23 H 1 0.678 0.02 . 2 . . . . 62 LEU QD2 . 16981 1 749 . 1 1 62 62 LEU HG H 1 1.564 0.02 . 1 . . . . 62 LEU HG . 16981 1 750 . 1 1 62 62 LEU CA C 13 57.941 0.4 . 1 . . . . 62 LEU CA . 16981 1 751 . 1 1 62 62 LEU CB C 13 42.089 0.4 . 1 . . . . 62 LEU CB . 16981 1 752 . 1 1 62 62 LEU CD1 C 13 26.127 0.4 . 2 . . . . 62 LEU CD1 . 16981 1 753 . 1 1 62 62 LEU CD2 C 13 24.632 0.4 . 2 . . . . 62 LEU CD2 . 16981 1 754 . 1 1 62 62 LEU CG C 13 27.688 0.4 . 1 . . . . 62 LEU CG . 16981 1 755 . 1 1 62 62 LEU N N 15 119.396 0.4 . 1 . . . . 62 LEU N . 16981 1 756 . 1 1 63 63 SER H H 1 8.777 0.02 . 1 . . . . 63 SER H . 16981 1 757 . 1 1 63 63 SER HA H 1 3.925 0.02 . 1 . . . . 63 SER HA . 16981 1 758 . 1 1 63 63 SER HB2 H 1 3.920 0.02 . 2 . . . . 63 SER QB . 16981 1 759 . 1 1 63 63 SER HB3 H 1 3.920 0.02 . 2 . . . . 63 SER QB . 16981 1 760 . 1 1 63 63 SER CA C 13 61.639 0.4 . 1 . . . . 63 SER CA . 16981 1 761 . 1 1 63 63 SER CB C 13 62.413 0.4 . 1 . . . . 63 SER CB . 16981 1 762 . 1 1 63 63 SER N N 15 117.288 0.4 . 1 . . . . 63 SER N . 16981 1 763 . 1 1 64 64 MET H H 1 7.393 0.02 . 1 . . . . 64 MET H . 16981 1 764 . 1 1 64 64 MET HA H 1 4.225 0.02 . 1 . . . . 64 MET HA . 16981 1 765 . 1 1 64 64 MET HB2 H 1 2.134 0.02 . 2 . . . . 64 MET HB2 . 16981 1 766 . 1 1 64 64 MET HB3 H 1 2.177 0.02 . 2 . . . . 64 MET HB3 . 16981 1 767 . 1 1 64 64 MET HE1 H 1 2.022 0.02 . 1 . . . . 64 MET QE . 16981 1 768 . 1 1 64 64 MET HE2 H 1 2.022 0.02 . 1 . . . . 64 MET QE . 16981 1 769 . 1 1 64 64 MET HE3 H 1 2.022 0.02 . 1 . . . . 64 MET QE . 16981 1 770 . 1 1 64 64 MET HG2 H 1 2.590 0.02 . 2 . . . . 64 MET HG2 . 16981 1 771 . 1 1 64 64 MET HG3 H 1 2.690 0.02 . 2 . . . . 64 MET HG3 . 16981 1 772 . 1 1 64 64 MET CA C 13 57.243 0.4 . 1 . . . . 64 MET CA . 16981 1 773 . 1 1 64 64 MET CB C 13 31.384 0.4 . 1 . . . . 64 MET CB . 16981 1 774 . 1 1 64 64 MET CE C 13 17.659 0.4 . 1 . . . . 64 MET CE . 16981 1 775 . 1 1 64 64 MET CG C 13 31.630 0.4 . 1 . . . . 64 MET CG . 16981 1 776 . 1 1 64 64 MET N N 15 120.245 0.4 . 1 . . . . 64 MET N . 16981 1 777 . 1 1 65 65 GLN H H 1 7.415 0.02 . 1 . . . . 65 GLN H . 16981 1 778 . 1 1 65 65 GLN HA H 1 4.229 0.02 . 1 . . . . 65 GLN HA . 16981 1 779 . 1 1 65 65 GLN HB2 H 1 2.451 0.02 . 2 . . . . 65 GLN HB2 . 16981 1 780 . 1 1 65 65 GLN HB3 H 1 1.983 0.02 . 2 . . . . 65 GLN HB3 . 16981 1 781 . 1 1 65 65 GLN HE21 H 1 6.920 0.02 . 2 . . . . 65 GLN HE21 . 16981 1 782 . 1 1 65 65 GLN HE22 H 1 7.484 0.02 . 2 . . . . 65 GLN HE22 . 16981 1 783 . 1 1 65 65 GLN HG2 H 1 2.579 0.02 . 2 . . . . 65 GLN HG2 . 16981 1 784 . 1 1 65 65 GLN HG3 H 1 2.018 0.02 . 2 . . . . 65 GLN HG3 . 16981 1 785 . 1 1 65 65 GLN CA C 13 54.997 0.4 . 1 . . . . 65 GLN CA . 16981 1 786 . 1 1 65 65 GLN CB C 13 28.516 0.4 . 1 . . . . 65 GLN CB . 16981 1 787 . 1 1 65 65 GLN CG C 13 33.712 0.4 . 1 . . . . 65 GLN CG . 16981 1 788 . 1 1 65 65 GLN N N 15 115.671 0.4 . 1 . . . . 65 GLN N . 16981 1 789 . 1 1 65 65 GLN NE2 N 15 112.679 0.4 . 1 . . . . 65 GLN NE2 . 16981 1 790 . 1 1 66 66 GLY H H 1 7.518 0.02 . 1 . . . . 66 GLY H . 16981 1 791 . 1 1 66 66 GLY HA2 H 1 3.638 0.02 . 2 . . . . 66 GLY HA2 . 16981 1 792 . 1 1 66 66 GLY HA3 H 1 4.414 0.02 . 2 . . . . 66 GLY HA3 . 16981 1 793 . 1 1 66 66 GLY CA C 13 44.524 0.4 . 1 . . . . 66 GLY CA . 16981 1 794 . 1 1 66 66 GLY N N 15 104.283 0.4 . 1 . . . . 66 GLY N . 16981 1 795 . 1 1 67 67 ALA H H 1 7.603 0.02 . 1 . . . . 67 ALA H . 16981 1 796 . 1 1 67 67 ALA HA H 1 4.934 0.02 . 1 . . . . 67 ALA HA . 16981 1 797 . 1 1 67 67 ALA HB1 H 1 1.076 0.02 . 1 . . . . 67 ALA QB . 16981 1 798 . 1 1 67 67 ALA HB2 H 1 1.076 0.02 . 1 . . . . 67 ALA QB . 16981 1 799 . 1 1 67 67 ALA HB3 H 1 1.076 0.02 . 1 . . . . 67 ALA QB . 16981 1 800 . 1 1 67 67 ALA CA C 13 50.269 0.4 . 1 . . . . 67 ALA CA . 16981 1 801 . 1 1 67 67 ALA CB C 13 16.779 0.4 . 1 . . . . 67 ALA CB . 16981 1 802 . 1 1 67 67 ALA N N 15 123.785 0.4 . 1 . . . . 67 ALA N . 16981 1 803 . 1 1 68 68 VAL H H 1 7.631 0.02 . 1 . . . . 68 VAL H . 16981 1 804 . 1 1 68 68 VAL HA H 1 3.861 0.02 . 1 . . . . 68 VAL HA . 16981 1 805 . 1 1 68 68 VAL HB H 1 2.009 0.02 . 1 . . . . 68 VAL HB . 16981 1 806 . 1 1 68 68 VAL HG11 H 1 0.866 0.02 . 2 . . . . 68 VAL QG1 . 16981 1 807 . 1 1 68 68 VAL HG12 H 1 0.866 0.02 . 2 . . . . 68 VAL QG1 . 16981 1 808 . 1 1 68 68 VAL HG13 H 1 0.866 0.02 . 2 . . . . 68 VAL QG1 . 16981 1 809 . 1 1 68 68 VAL HG21 H 1 0.840 0.02 . 2 . . . . 68 VAL QG2 . 16981 1 810 . 1 1 68 68 VAL HG22 H 1 0.840 0.02 . 2 . . . . 68 VAL QG2 . 16981 1 811 . 1 1 68 68 VAL HG23 H 1 0.840 0.02 . 2 . . . . 68 VAL QG2 . 16981 1 812 . 1 1 68 68 VAL CA C 13 64.023 0.4 . 1 . . . . 68 VAL CA . 16981 1 813 . 1 1 68 68 VAL CB C 13 31.899 0.4 . 1 . . . . 68 VAL CB . 16981 1 814 . 1 1 68 68 VAL CG1 C 13 21.433 0.4 . 2 . . . . 68 VAL CG1 . 16981 1 815 . 1 1 68 68 VAL CG2 C 13 20.176 0.4 . 2 . . . . 68 VAL CG2 . 16981 1 816 . 1 1 68 68 VAL N N 15 121.190 0.4 . 1 . . . . 68 VAL N . 16981 1 817 . 1 1 69 69 ASP H H 1 8.385 0.02 . 1 . . . . 69 ASP H . 16981 1 818 . 1 1 69 69 ASP HA H 1 4.990 0.02 . 1 . . . . 69 ASP HA . 16981 1 819 . 1 1 69 69 ASP HB2 H 1 2.837 0.02 . 2 . . . . 69 ASP HB2 . 16981 1 820 . 1 1 69 69 ASP HB3 H 1 2.307 0.02 . 2 . . . . 69 ASP HB3 . 16981 1 821 . 1 1 69 69 ASP CA C 13 55.270 0.4 . 1 . . . . 69 ASP CA . 16981 1 822 . 1 1 69 69 ASP CB C 13 41.100 0.4 . 1 . . . . 69 ASP CB . 16981 1 823 . 1 1 69 69 ASP N N 15 119.157 0.4 . 1 . . . . 69 ASP N . 16981 1 824 . 1 1 70 70 ILE H H 1 7.777 0.02 . 1 . . . . 70 ILE H . 16981 1 825 . 1 1 70 70 ILE HA H 1 3.898 0.02 . 1 . . . . 70 ILE HA . 16981 1 826 . 1 1 70 70 ILE HB H 1 1.870 0.02 . 1 . . . . 70 ILE HB . 16981 1 827 . 1 1 70 70 ILE HD11 H 1 0.724 0.02 . 1 . . . . 70 ILE QD1 . 16981 1 828 . 1 1 70 70 ILE HD12 H 1 0.724 0.02 . 1 . . . . 70 ILE QD1 . 16981 1 829 . 1 1 70 70 ILE HD13 H 1 0.724 0.02 . 1 . . . . 70 ILE QD1 . 16981 1 830 . 1 1 70 70 ILE HG12 H 1 1.303 0.02 . 2 . . . . 70 ILE QG1 . 16981 1 831 . 1 1 70 70 ILE HG13 H 1 1.303 0.02 . 2 . . . . 70 ILE QG1 . 16981 1 832 . 1 1 70 70 ILE HG21 H 1 1.024 0.02 . 1 . . . . 70 ILE QG2 . 16981 1 833 . 1 1 70 70 ILE HG22 H 1 1.024 0.02 . 1 . . . . 70 ILE QG2 . 16981 1 834 . 1 1 70 70 ILE HG23 H 1 1.024 0.02 . 1 . . . . 70 ILE QG2 . 16981 1 835 . 1 1 70 70 ILE CA C 13 61.131 0.4 . 1 . . . . 70 ILE CA . 16981 1 836 . 1 1 70 70 ILE CB C 13 38.497 0.4 . 1 . . . . 70 ILE CB . 16981 1 837 . 1 1 70 70 ILE CD1 C 13 14.700 0.4 . 1 . . . . 70 ILE CD1 . 16981 1 838 . 1 1 70 70 ILE CG1 C 13 28.746 0.4 . 1 . . . . 70 ILE CG1 . 16981 1 839 . 1 1 70 70 ILE CG2 C 13 19.982 0.4 . 1 . . . . 70 ILE CG2 . 16981 1 840 . 1 1 70 70 ILE N N 15 120.017 0.4 . 1 . . . . 70 ILE N . 16981 1 841 . 1 1 71 71 ASN H H 1 8.121 0.02 . 1 . . . . 71 ASN H . 16981 1 842 . 1 1 71 71 ASN HA H 1 4.394 0.02 . 1 . . . . 71 ASN HA . 16981 1 843 . 1 1 71 71 ASN HB2 H 1 2.724 0.02 . 2 . . . . 71 ASN QB . 16981 1 844 . 1 1 71 71 ASN HB3 H 1 2.724 0.02 . 2 . . . . 71 ASN QB . 16981 1 845 . 1 1 71 71 ASN HD21 H 1 7.600 0.02 . 2 . . . . 71 ASN HD21 . 16981 1 846 . 1 1 71 71 ASN HD22 H 1 6.750 0.02 . 2 . . . . 71 ASN HD22 . 16981 1 847 . 1 1 71 71 ASN CA C 13 56.872 0.4 . 1 . . . . 71 ASN CA . 16981 1 848 . 1 1 71 71 ASN CB C 13 37.244 0.4 . 1 . . . . 71 ASN CB . 16981 1 849 . 1 1 71 71 ASN N N 15 121.801 0.4 . 1 . . . . 71 ASN N . 16981 1 850 . 1 1 71 71 ASN ND2 N 15 112.491 0.4 . 1 . . . . 71 ASN ND2 . 16981 1 851 . 1 1 72 72 ARG H H 1 7.687 0.02 . 1 . . . . 72 ARG H . 16981 1 852 . 1 1 72 72 ARG HA H 1 3.978 0.02 . 1 . . . . 72 ARG HA . 16981 1 853 . 1 1 72 72 ARG HB2 H 1 1.800 0.02 . 2 . . . . 72 ARG HB2 . 16981 1 854 . 1 1 72 72 ARG HB3 H 1 1.764 0.02 . 2 . . . . 72 ARG HB3 . 16981 1 855 . 1 1 72 72 ARG HD2 H 1 3.156 0.02 . 2 . . . . 72 ARG HD2 . 16981 1 856 . 1 1 72 72 ARG HD3 H 1 3.088 0.02 . 2 . . . . 72 ARG HD3 . 16981 1 857 . 1 1 72 72 ARG HG2 H 1 1.520 0.02 . 2 . . . . 72 ARG HG2 . 16981 1 858 . 1 1 72 72 ARG HG3 H 1 1.668 0.02 . 2 . . . . 72 ARG HG3 . 16981 1 859 . 1 1 72 72 ARG CA C 13 58.709 0.4 . 1 . . . . 72 ARG CA . 16981 1 860 . 1 1 72 72 ARG CB C 13 29.877 0.4 . 1 . . . . 72 ARG CB . 16981 1 861 . 1 1 72 72 ARG CD C 13 43.456 0.4 . 1 . . . . 72 ARG CD . 16981 1 862 . 1 1 72 72 ARG CG C 13 27.477 0.4 . 1 . . . . 72 ARG CG . 16981 1 863 . 1 1 72 72 ARG N N 15 120.472 0.4 . 1 . . . . 72 ARG N . 16981 1 864 . 1 1 73 73 LEU H H 1 7.776 0.02 . 1 . . . . 73 LEU H . 16981 1 865 . 1 1 73 73 LEU HA H 1 3.895 0.02 . 1 . . . . 73 LEU HA . 16981 1 866 . 1 1 73 73 LEU HB2 H 1 2.110 0.02 . 2 . . . . 73 LEU HB2 . 16981 1 867 . 1 1 73 73 LEU HB3 H 1 1.234 0.02 . 2 . . . . 73 LEU HB3 . 16981 1 868 . 1 1 73 73 LEU HD11 H 1 0.683 0.02 . 2 . . . . 73 LEU QD1 . 16981 1 869 . 1 1 73 73 LEU HD12 H 1 0.683 0.02 . 2 . . . . 73 LEU QD1 . 16981 1 870 . 1 1 73 73 LEU HD13 H 1 0.683 0.02 . 2 . . . . 73 LEU QD1 . 16981 1 871 . 1 1 73 73 LEU HD21 H 1 0.757 0.02 . 2 . . . . 73 LEU QD2 . 16981 1 872 . 1 1 73 73 LEU HD22 H 1 0.757 0.02 . 2 . . . . 73 LEU QD2 . 16981 1 873 . 1 1 73 73 LEU HD23 H 1 0.757 0.02 . 2 . . . . 73 LEU QD2 . 16981 1 874 . 1 1 73 73 LEU HG H 1 1.515 0.02 . 1 . . . . 73 LEU HG . 16981 1 875 . 1 1 73 73 LEU CA C 13 58.038 0.4 . 1 . . . . 73 LEU CA . 16981 1 876 . 1 1 73 73 LEU CB C 13 41.170 0.4 . 1 . . . . 73 LEU CB . 16981 1 877 . 1 1 73 73 LEU CD1 C 13 25.847 0.4 . 2 . . . . 73 LEU CD1 . 16981 1 878 . 1 1 73 73 LEU CD2 C 13 23.417 0.4 . 2 . . . . 73 LEU CD2 . 16981 1 879 . 1 1 73 73 LEU CG C 13 27.354 0.4 . 1 . . . . 73 LEU CG . 16981 1 880 . 1 1 73 73 LEU N N 15 120.304 0.4 . 1 . . . . 73 LEU N . 16981 1 881 . 1 1 74 74 CYS H H 1 7.976 0.02 . 1 . . . . 74 CYS H . 16981 1 882 . 1 1 74 74 CYS HA H 1 3.873 0.02 . 1 . . . . 74 CYS HA . 16981 1 883 . 1 1 74 74 CYS HB2 H 1 3.061 0.02 . 2 . . . . 74 CYS HB2 . 16981 1 884 . 1 1 74 74 CYS HB3 H 1 2.690 0.02 . 2 . . . . 74 CYS HB3 . 16981 1 885 . 1 1 74 74 CYS CA C 13 64.609 0.4 . 1 . . . . 74 CYS CA . 16981 1 886 . 1 1 74 74 CYS CB C 13 26.618 0.4 . 1 . . . . 74 CYS CB . 16981 1 887 . 1 1 74 74 CYS N N 15 117.317 0.4 . 1 . . . . 74 CYS N . 16981 1 888 . 1 1 75 75 GLU H H 1 8.008 0.02 . 1 . . . . 75 GLU H . 16981 1 889 . 1 1 75 75 GLU HA H 1 3.831 0.02 . 1 . . . . 75 GLU HA . 16981 1 890 . 1 1 75 75 GLU HB2 H 1 1.964 0.02 . 2 . . . . 75 GLU QB . 16981 1 891 . 1 1 75 75 GLU HB3 H 1 1.964 0.02 . 2 . . . . 75 GLU QB . 16981 1 892 . 1 1 75 75 GLU HG2 H 1 2.310 0.02 . 2 . . . . 75 GLU HG2 . 16981 1 893 . 1 1 75 75 GLU HG3 H 1 2.130 0.02 . 2 . . . . 75 GLU HG3 . 16981 1 894 . 1 1 75 75 GLU CA C 13 59.334 0.4 . 1 . . . . 75 GLU CA . 16981 1 895 . 1 1 75 75 GLU CB C 13 29.744 0.4 . 1 . . . . 75 GLU CB . 16981 1 896 . 1 1 75 75 GLU CG C 13 36.298 0.4 . 1 . . . . 75 GLU CG . 16981 1 897 . 1 1 75 75 GLU N N 15 118.260 0.4 . 1 . . . . 75 GLU N . 16981 1 898 . 1 1 76 76 GLU H H 1 8.039 0.02 . 1 . . . . 76 GLU H . 16981 1 899 . 1 1 76 76 GLU HA H 1 3.926 0.02 . 1 . . . . 76 GLU HA . 16981 1 900 . 1 1 76 76 GLU HB2 H 1 2.042 0.02 . 2 . . . . 76 GLU HB2 . 16981 1 901 . 1 1 76 76 GLU HB3 H 1 2.193 0.02 . 2 . . . . 76 GLU HB3 . 16981 1 902 . 1 1 76 76 GLU HG2 H 1 2.254 0.02 . 2 . . . . 76 GLU HG2 . 16981 1 903 . 1 1 76 76 GLU HG3 H 1 2.114 0.02 . 2 . . . . 76 GLU HG3 . 16981 1 904 . 1 1 76 76 GLU CA C 13 59.412 0.4 . 1 . . . . 76 GLU CA . 16981 1 905 . 1 1 76 76 GLU CB C 13 30.018 0.4 . 1 . . . . 76 GLU CB . 16981 1 906 . 1 1 76 76 GLU CG C 13 36.798 0.4 . 1 . . . . 76 GLU CG . 16981 1 907 . 1 1 76 76 GLU N N 15 119.188 0.4 . 1 . . . . 76 GLU N . 16981 1 908 . 1 1 77 77 MET H H 1 8.018 0.02 . 1 . . . . 77 MET H . 16981 1 909 . 1 1 77 77 MET HA H 1 3.905 0.02 . 1 . . . . 77 MET HA . 16981 1 910 . 1 1 77 77 MET HB2 H 1 2.103 0.02 . 2 . . . . 77 MET HB2 . 16981 1 911 . 1 1 77 77 MET HB3 H 1 1.786 0.02 . 2 . . . . 77 MET HB3 . 16981 1 912 . 1 1 77 77 MET HE1 H 1 1.815 0.02 . 1 . . . . 77 MET QE . 16981 1 913 . 1 1 77 77 MET HE2 H 1 1.815 0.02 . 1 . . . . 77 MET QE . 16981 1 914 . 1 1 77 77 MET HE3 H 1 1.815 0.02 . 1 . . . . 77 MET QE . 16981 1 915 . 1 1 77 77 MET HG2 H 1 2.198 0.02 . 2 . . . . 77 MET HG2 . 16981 1 916 . 1 1 77 77 MET HG3 H 1 2.908 0.02 . 2 . . . . 77 MET HG3 . 16981 1 917 . 1 1 77 77 MET CA C 13 59.334 0.4 . 1 . . . . 77 MET CA . 16981 1 918 . 1 1 77 77 MET CB C 13 33.762 0.4 . 1 . . . . 77 MET CB . 16981 1 919 . 1 1 77 77 MET CE C 13 16.921 0.4 . 1 . . . . 77 MET CE . 16981 1 920 . 1 1 77 77 MET CG C 13 32.140 0.4 . 1 . . . . 77 MET CG . 16981 1 921 . 1 1 77 77 MET N N 15 116.441 0.4 . 1 . . . . 77 MET N . 16981 1 922 . 1 1 78 78 LEU H H 1 7.572 0.02 . 1 . . . . 78 LEU H . 16981 1 923 . 1 1 78 78 LEU HA H 1 3.950 0.02 . 1 . . . . 78 LEU HA . 16981 1 924 . 1 1 78 78 LEU HB2 H 1 1.703 0.02 . 2 . . . . 78 LEU HB2 . 16981 1 925 . 1 1 78 78 LEU HB3 H 1 1.370 0.02 . 2 . . . . 78 LEU HB3 . 16981 1 926 . 1 1 78 78 LEU HD11 H 1 0.731 0.02 . 2 . . . . 78 LEU QD1 . 16981 1 927 . 1 1 78 78 LEU HD12 H 1 0.731 0.02 . 2 . . . . 78 LEU QD1 . 16981 1 928 . 1 1 78 78 LEU HD13 H 1 0.731 0.02 . 2 . . . . 78 LEU QD1 . 16981 1 929 . 1 1 78 78 LEU HD21 H 1 0.465 0.02 . 2 . . . . 78 LEU QD2 . 16981 1 930 . 1 1 78 78 LEU HD22 H 1 0.465 0.02 . 2 . . . . 78 LEU QD2 . 16981 1 931 . 1 1 78 78 LEU HD23 H 1 0.465 0.02 . 2 . . . . 78 LEU QD2 . 16981 1 932 . 1 1 78 78 LEU HG H 1 1.554 0.02 . 1 . . . . 78 LEU HG . 16981 1 933 . 1 1 78 78 LEU CA C 13 56.248 0.4 . 1 . . . . 78 LEU CA . 16981 1 934 . 1 1 78 78 LEU CB C 13 41.628 0.4 . 1 . . . . 78 LEU CB . 16981 1 935 . 1 1 78 78 LEU CD1 C 13 25.346 0.4 . 2 . . . . 78 LEU CD1 . 16981 1 936 . 1 1 78 78 LEU CD2 C 13 22.448 0.4 . 2 . . . . 78 LEU CD2 . 16981 1 937 . 1 1 78 78 LEU CG C 13 26.870 0.4 . 1 . . . . 78 LEU CG . 16981 1 938 . 1 1 78 78 LEU N N 15 116.542 0.4 . 1 . . . . 78 LEU N . 16981 1 939 . 1 1 79 79 ASP H H 1 8.005 0.02 . 1 . . . . 79 ASP H . 16981 1 940 . 1 1 79 79 ASP HA H 1 4.393 0.02 . 1 . . . . 79 ASP HA . 16981 1 941 . 1 1 79 79 ASP HB2 H 1 2.600 0.02 . 2 . . . . 79 ASP HB2 . 16981 1 942 . 1 1 79 79 ASP HB3 H 1 2.634 0.02 . 2 . . . . 79 ASP HB3 . 16981 1 943 . 1 1 79 79 ASP CA C 13 56.325 0.4 . 1 . . . . 79 ASP CA . 16981 1 944 . 1 1 79 79 ASP CB C 13 40.760 0.4 . 1 . . . . 79 ASP CB . 16981 1 945 . 1 1 79 79 ASP N N 15 120.637 0.4 . 1 . . . . 79 ASP N . 16981 1 946 . 1 1 80 80 ASN H H 1 8.241 0.02 . 1 . . . . 80 ASN H . 16981 1 947 . 1 1 80 80 ASN HA H 1 4.514 0.02 . 1 . . . . 80 ASN HA . 16981 1 948 . 1 1 80 80 ASN HB2 H 1 2.715 0.02 . 2 . . . . 80 ASN QB . 16981 1 949 . 1 1 80 80 ASN HB3 H 1 2.715 0.02 . 2 . . . . 80 ASN QB . 16981 1 950 . 1 1 80 80 ASN HD21 H 1 6.893 0.02 . 2 . . . . 80 ASN HD21 . 16981 1 951 . 1 1 80 80 ASN HD22 H 1 7.552 0.02 . 2 . . . . 80 ASN HD22 . 16981 1 952 . 1 1 80 80 ASN CA C 13 54.254 0.4 . 1 . . . . 80 ASN CA . 16981 1 953 . 1 1 80 80 ASN CB C 13 38.648 0.4 . 1 . . . . 80 ASN CB . 16981 1 954 . 1 1 80 80 ASN N N 15 117.418 0.4 . 1 . . . . 80 ASN N . 16981 1 955 . 1 1 80 80 ASN ND2 N 15 112.649 0.4 . 1 . . . . 80 ASN ND2 . 16981 1 956 . 1 1 81 81 ARG H H 1 7.735 0.02 . 1 . . . . 81 ARG H . 16981 1 957 . 1 1 81 81 ARG HA H 1 4.104 0.02 . 1 . . . . 81 ARG HA . 16981 1 958 . 1 1 81 81 ARG HB2 H 1 1.742 0.02 . 2 . . . . 81 ARG HB2 . 16981 1 959 . 1 1 81 81 ARG HB3 H 1 1.689 0.02 . 2 . . . . 81 ARG HB3 . 16981 1 960 . 1 1 81 81 ARG HD2 H 1 3.054 0.02 . 2 . . . . 81 ARG HD2 . 16981 1 961 . 1 1 81 81 ARG HD3 H 1 2.871 0.02 . 2 . . . . 81 ARG HD3 . 16981 1 962 . 1 1 81 81 ARG HG2 H 1 1.570 0.02 . 2 . . . . 81 ARG HG2 . 16981 1 963 . 1 1 81 81 ARG HG3 H 1 1.617 0.02 . 2 . . . . 81 ARG HG3 . 16981 1 964 . 1 1 81 81 ARG CA C 13 57.185 0.4 . 1 . . . . 81 ARG CA . 16981 1 965 . 1 1 81 81 ARG CB C 13 30.140 0.4 . 1 . . . . 81 ARG CB . 16981 1 966 . 1 1 81 81 ARG CD C 13 42.950 0.4 . 1 . . . . 81 ARG CD . 16981 1 967 . 1 1 81 81 ARG CG C 13 26.831 0.4 . 1 . . . . 81 ARG CG . 16981 1 968 . 1 1 81 81 ARG N N 15 119.147 0.4 . 1 . . . . 81 ARG N . 16981 1 969 . 1 1 82 82 ALA H H 1 7.959 0.02 . 1 . . . . 82 ALA H . 16981 1 970 . 1 1 82 82 ALA HA H 1 4.213 0.02 . 1 . . . . 82 ALA HA . 16981 1 971 . 1 1 82 82 ALA HB1 H 1 1.357 0.02 . 1 . . . . 82 ALA QB . 16981 1 972 . 1 1 82 82 ALA HB2 H 1 1.357 0.02 . 1 . . . . 82 ALA QB . 16981 1 973 . 1 1 82 82 ALA HB3 H 1 1.357 0.02 . 1 . . . . 82 ALA QB . 16981 1 974 . 1 1 82 82 ALA CA C 13 53.277 0.4 . 1 . . . . 82 ALA CA . 16981 1 975 . 1 1 82 82 ALA CB C 13 18.966 0.4 . 1 . . . . 82 ALA CB . 16981 1 976 . 1 1 82 82 ALA N N 15 122.884 0.4 . 1 . . . . 82 ALA N . 16981 1 977 . 1 1 83 83 THR H H 1 7.890 0.02 . 1 . . . . 83 THR H . 16981 1 978 . 1 1 83 83 THR HA H 1 4.226 0.02 . 1 . . . . 83 THR HA . 16981 1 979 . 1 1 83 83 THR HB H 1 4.175 0.02 . 1 . . . . 83 THR HB . 16981 1 980 . 1 1 83 83 THR HG21 H 1 1.129 0.02 . 1 . . . . 83 THR QG2 . 16981 1 981 . 1 1 83 83 THR HG22 H 1 1.129 0.02 . 1 . . . . 83 THR QG2 . 16981 1 982 . 1 1 83 83 THR HG23 H 1 1.129 0.02 . 1 . . . . 83 THR QG2 . 16981 1 983 . 1 1 83 83 THR CA C 13 62.147 0.4 . 1 . . . . 83 THR CA . 16981 1 984 . 1 1 83 83 THR CB C 13 69.991 0.4 . 1 . . . . 83 THR CB . 16981 1 985 . 1 1 83 83 THR CG2 C 13 21.634 0.4 . 1 . . . . 83 THR CG2 . 16981 1 986 . 1 1 83 83 THR N N 15 111.769 0.4 . 1 . . . . 83 THR N . 16981 1 987 . 1 1 84 84 LEU H H 1 7.938 0.02 . 1 . . . . 84 LEU H . 16981 1 988 . 1 1 84 84 LEU HA H 1 4.258 0.02 . 1 . . . . 84 LEU HA . 16981 1 989 . 1 1 84 84 LEU HB2 H 1 1.514 0.02 . 2 . . . . 84 LEU HB2 . 16981 1 990 . 1 1 84 84 LEU HB3 H 1 1.585 0.02 . 2 . . . . 84 LEU HB3 . 16981 1 991 . 1 1 84 84 LEU HD11 H 1 0.795 0.02 . 2 . . . . 84 LEU QD1 . 16981 1 992 . 1 1 84 84 LEU HD12 H 1 0.795 0.02 . 2 . . . . 84 LEU QD1 . 16981 1 993 . 1 1 84 84 LEU HD13 H 1 0.795 0.02 . 2 . . . . 84 LEU QD1 . 16981 1 994 . 1 1 84 84 LEU HD21 H 1 0.752 0.02 . 2 . . . . 84 LEU QD2 . 16981 1 995 . 1 1 84 84 LEU HD22 H 1 0.752 0.02 . 2 . . . . 84 LEU QD2 . 16981 1 996 . 1 1 84 84 LEU HD23 H 1 0.752 0.02 . 2 . . . . 84 LEU QD2 . 16981 1 997 . 1 1 84 84 LEU HG H 1 1.569 0.02 . 1 . . . . 84 LEU HG . 16981 1 998 . 1 1 84 84 LEU CA C 13 55.309 0.4 . 1 . . . . 84 LEU CA . 16981 1 999 . 1 1 84 84 LEU CB C 13 42.206 0.4 . 1 . . . . 84 LEU CB . 16981 1 1000 . 1 1 84 84 LEU CD1 C 13 25.100 0.4 . 2 . . . . 84 LEU CD1 . 16981 1 1001 . 1 1 84 84 LEU CD2 C 13 23.323 0.4 . 2 . . . . 84 LEU CD2 . 16981 1 1002 . 1 1 84 84 LEU CG C 13 26.788 0.4 . 1 . . . . 84 LEU CG . 16981 1 1003 . 1 1 84 84 LEU N N 15 124.247 0.4 . 1 . . . . 84 LEU N . 16981 1 1004 . 1 1 85 85 GLN H H 1 7.739 0.02 . 1 . . . . 85 GLN H . 16981 1 1005 . 1 1 85 85 GLN HA H 1 4.046 0.02 . 1 . . . . 85 GLN HA . 16981 1 1006 . 1 1 85 85 GLN HB2 H 1 2.019 0.02 . 2 . . . . 85 GLN HB2 . 16981 1 1007 . 1 1 85 85 GLN HB3 H 1 1.817 0.02 . 2 . . . . 85 GLN HB3 . 16981 1 1008 . 1 1 85 85 GLN HE21 H 1 7.430 0.02 . 2 . . . . 85 GLN HE21 . 16981 1 1009 . 1 1 85 85 GLN HE22 H 1 6.720 0.02 . 2 . . . . 85 GLN HE22 . 16981 1 1010 . 1 1 85 85 GLN HG2 H 1 2.221 0.02 . 2 . . . . 85 GLN QG . 16981 1 1011 . 1 1 85 85 GLN HG3 H 1 2.221 0.02 . 2 . . . . 85 GLN QG . 16981 1 1012 . 1 1 85 85 GLN CA C 13 57.263 0.4 . 1 . . . . 85 GLN CA . 16981 1 1013 . 1 1 85 85 GLN CB C 13 30.342 0.4 . 1 . . . . 85 GLN CB . 16981 1 1014 . 1 1 85 85 GLN CG C 13 34.170 0.4 . 1 . . . . 85 GLN CG . 16981 1 1015 . 1 1 85 85 GLN N N 15 125.453 0.4 . 1 . . . . 85 GLN N . 16981 1 1016 . 1 1 85 85 GLN NE2 N 15 112.438 0.4 . 1 . . . . 85 GLN NE2 . 16981 1 stop_ save_