data_16325 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16325 _Entry.Title ; Chemical shift assignments of the second domain of the listeria protein Lin2157, Northeast Structural Genomics Consortium target Lkr136b ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-05-29 _Entry.Accession_date 2009-05-29 _Entry.Last_release_date 2009-06-11 _Entry.Original_release_date 2009-06-11 _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 Xu Wang . . . 16325 2 Keith Hamilton . . . 16325 3 Rong Xiao . H. . 16325 4 Dan Lee . . . 16325 5 Colleen Ciccosanti . H. . 16325 6 R. Nair . . . 16325 7 B. Rost . . . 16325 8 T. Acton . B. . 16325 9 G. Swapna . . . 16325 10 John Everett . K. . 16325 11 Gaetano Montelione . T. . 16325 12 James Prestegard . H. . 16325 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' 'Northeast Structural Genomics Consortium' . 16325 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PDZ domain' . 16325 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16325 RDCs 1 16325 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 395 16325 '15N chemical shifts' 92 16325 '1H chemical shifts' 520 16325 'residual dipolar couplings' 71 16325 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-06-11 2009-05-29 original author . 16325 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KJK 'BMRB Entry Tracking System' 16325 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16325 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structure of Lkr136b' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Xu Wang . . . 16325 1 2 Gaetano Montelione . . . 16325 1 3 James Prestegard . . . 16325 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'PDZ domain' 16325 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16325 _Assembly.ID 1 _Assembly.Name lkr136b _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 11058.5 _Assembly.Enzyme_commission_number . _Assembly.Details 'lkr136b protein' _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 lkr136b 1 $lkr136b A . yes native no no . . protein 16325 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_lkr136b _Entity.Sf_category entity _Entity.Sf_framecode lkr136b _Entity.Entry_ID 16325 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name lkr136b _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 ; MVKVTYDGVYVLSVKEDVPA AGILHAGDLITEIDGQSFKS SQEFIDYIHSKKVGDTVKIK YKHGNKNEEASIKLTAIDKK GTPGIGITLVDDLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'residues L93 to H100 are part of a His tag' _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 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11058 _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 2KJK . "Solution Structure Of The Second Domain Of The Listeria Protein Lin2157, Northeast Structural Genomics Consortium Target Lkr136" . . . . . 100.00 100 100.00 100.00 1.47e-62 . . . . 16325 1 2 no EMBL CAC97387 . "lin2157 [Listeria innocua Clip11262]" . . . . . 91.00 346 100.00 100.00 4.48e-53 . . . . 16325 1 3 no GB EFR93256 . "YlbL [Listeria innocua FSL J1-023]" . . . . . 91.00 346 98.90 100.00 2.79e-52 . . . . 16325 1 4 no GB EHN62540 . "PDZ domain protein [Listeria innocua ATCC 33091]" . . . . . 91.00 346 98.90 98.90 2.45e-52 . . . . 16325 1 5 no GB KJR55152 . "hypothetical protein VC41_04600 [Listeria innocua]" . . . . . 91.00 346 100.00 100.00 4.48e-53 . . . . 16325 1 6 no GB KJR55498 . "hypothetical protein VC38_03505 [Listeria innocua]" . . . . . 91.00 346 100.00 100.00 4.48e-53 . . . . 16325 1 7 no REF WP_003767762 . "hypothetical protein [Listeria innocua]" . . . . . 91.00 346 98.90 100.00 2.79e-52 . . . . 16325 1 8 no REF WP_003769606 . "hypothetical protein [Listeria innocua]" . . . . . 91.00 346 98.90 98.90 2.45e-52 . . . . 16325 1 9 no REF WP_010991039 . "hypothetical protein [Listeria innocua]" . . . . . 91.00 346 100.00 100.00 4.48e-53 . . . . 16325 1 10 no REF WP_033532865 . "hypothetical protein [Listeria innocua]" . . . . . 91.00 346 100.00 100.00 3.98e-53 . . . . 16325 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16325 1 2 . VAL . 16325 1 3 . LYS . 16325 1 4 . VAL . 16325 1 5 . THR . 16325 1 6 . TYR . 16325 1 7 . ASP . 16325 1 8 . GLY . 16325 1 9 . VAL . 16325 1 10 . TYR . 16325 1 11 . VAL . 16325 1 12 . LEU . 16325 1 13 . SER . 16325 1 14 . VAL . 16325 1 15 . LYS . 16325 1 16 . GLU . 16325 1 17 . ASP . 16325 1 18 . VAL . 16325 1 19 . PRO . 16325 1 20 . ALA . 16325 1 21 . ALA . 16325 1 22 . GLY . 16325 1 23 . ILE . 16325 1 24 . LEU . 16325 1 25 . HIS . 16325 1 26 . ALA . 16325 1 27 . GLY . 16325 1 28 . ASP . 16325 1 29 . LEU . 16325 1 30 . ILE . 16325 1 31 . THR . 16325 1 32 . GLU . 16325 1 33 . ILE . 16325 1 34 . ASP . 16325 1 35 . GLY . 16325 1 36 . GLN . 16325 1 37 . SER . 16325 1 38 . PHE . 16325 1 39 . LYS . 16325 1 40 . SER . 16325 1 41 . SER . 16325 1 42 . GLN . 16325 1 43 . GLU . 16325 1 44 . PHE . 16325 1 45 . ILE . 16325 1 46 . ASP . 16325 1 47 . TYR . 16325 1 48 . ILE . 16325 1 49 . HIS . 16325 1 50 . SER . 16325 1 51 . LYS . 16325 1 52 . LYS . 16325 1 53 . VAL . 16325 1 54 . GLY . 16325 1 55 . ASP . 16325 1 56 . THR . 16325 1 57 . VAL . 16325 1 58 . LYS . 16325 1 59 . ILE . 16325 1 60 . LYS . 16325 1 61 . TYR . 16325 1 62 . LYS . 16325 1 63 . HIS . 16325 1 64 . GLY . 16325 1 65 . ASN . 16325 1 66 . LYS . 16325 1 67 . ASN . 16325 1 68 . GLU . 16325 1 69 . GLU . 16325 1 70 . ALA . 16325 1 71 . SER . 16325 1 72 . ILE . 16325 1 73 . LYS . 16325 1 74 . LEU . 16325 1 75 . THR . 16325 1 76 . ALA . 16325 1 77 . ILE . 16325 1 78 . ASP . 16325 1 79 . LYS . 16325 1 80 . LYS . 16325 1 81 . GLY . 16325 1 82 . THR . 16325 1 83 . PRO . 16325 1 84 . GLY . 16325 1 85 . ILE . 16325 1 86 . GLY . 16325 1 87 . ILE . 16325 1 88 . THR . 16325 1 89 . LEU . 16325 1 90 . VAL . 16325 1 91 . ASP . 16325 1 92 . ASP . 16325 1 93 . LEU . 16325 1 94 . GLU . 16325 1 95 . HIS . 16325 1 96 . HIS . 16325 1 97 . HIS . 16325 1 98 . HIS . 16325 1 99 . HIS . 16325 1 100 . HIS . 16325 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16325 1 . VAL 2 2 16325 1 . LYS 3 3 16325 1 . VAL 4 4 16325 1 . THR 5 5 16325 1 . TYR 6 6 16325 1 . ASP 7 7 16325 1 . GLY 8 8 16325 1 . VAL 9 9 16325 1 . TYR 10 10 16325 1 . VAL 11 11 16325 1 . LEU 12 12 16325 1 . SER 13 13 16325 1 . VAL 14 14 16325 1 . LYS 15 15 16325 1 . GLU 16 16 16325 1 . ASP 17 17 16325 1 . VAL 18 18 16325 1 . PRO 19 19 16325 1 . ALA 20 20 16325 1 . ALA 21 21 16325 1 . GLY 22 22 16325 1 . ILE 23 23 16325 1 . LEU 24 24 16325 1 . HIS 25 25 16325 1 . ALA 26 26 16325 1 . GLY 27 27 16325 1 . ASP 28 28 16325 1 . LEU 29 29 16325 1 . ILE 30 30 16325 1 . THR 31 31 16325 1 . GLU 32 32 16325 1 . ILE 33 33 16325 1 . ASP 34 34 16325 1 . GLY 35 35 16325 1 . GLN 36 36 16325 1 . SER 37 37 16325 1 . PHE 38 38 16325 1 . LYS 39 39 16325 1 . SER 40 40 16325 1 . SER 41 41 16325 1 . GLN 42 42 16325 1 . GLU 43 43 16325 1 . PHE 44 44 16325 1 . ILE 45 45 16325 1 . ASP 46 46 16325 1 . TYR 47 47 16325 1 . ILE 48 48 16325 1 . HIS 49 49 16325 1 . SER 50 50 16325 1 . LYS 51 51 16325 1 . LYS 52 52 16325 1 . VAL 53 53 16325 1 . GLY 54 54 16325 1 . ASP 55 55 16325 1 . THR 56 56 16325 1 . VAL 57 57 16325 1 . LYS 58 58 16325 1 . ILE 59 59 16325 1 . LYS 60 60 16325 1 . TYR 61 61 16325 1 . LYS 62 62 16325 1 . HIS 63 63 16325 1 . GLY 64 64 16325 1 . ASN 65 65 16325 1 . LYS 66 66 16325 1 . ASN 67 67 16325 1 . GLU 68 68 16325 1 . GLU 69 69 16325 1 . ALA 70 70 16325 1 . SER 71 71 16325 1 . ILE 72 72 16325 1 . LYS 73 73 16325 1 . LEU 74 74 16325 1 . THR 75 75 16325 1 . ALA 76 76 16325 1 . ILE 77 77 16325 1 . ASP 78 78 16325 1 . LYS 79 79 16325 1 . LYS 80 80 16325 1 . GLY 81 81 16325 1 . THR 82 82 16325 1 . PRO 83 83 16325 1 . GLY 84 84 16325 1 . ILE 85 85 16325 1 . GLY 86 86 16325 1 . ILE 87 87 16325 1 . THR 88 88 16325 1 . LEU 89 89 16325 1 . VAL 90 90 16325 1 . ASP 91 91 16325 1 . ASP 92 92 16325 1 . LEU 93 93 16325 1 . GLU 94 94 16325 1 . HIS 95 95 16325 1 . HIS 96 96 16325 1 . HIS 97 97 16325 1 . HIS 98 98 16325 1 . HIS 99 99 16325 1 . HIS 100 100 16325 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 16325 _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 $lkr136b . 1642 organism . 'Listeria innocua' 'Listeria innocua' . . Bacteria Firmicutes Listeria innocua . . . . . . . . . . . . . . . . lin2157 . . . . 16325 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 16325 _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 $lkr136b . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pET121 . . . . . . 16325 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16325 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 lkr136b '[U-100% 13C; U-100% 15N]' . . 1 $lkr136b . . 1.18 . . mM . . . . 16325 1 2 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16325 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16325 1 4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 16325 1 5 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 16325 1 6 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 16325 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16325 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16325 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16325 _Sample.ID 2 _Sample.Type bicelle _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 lkr136b '[U-100% 13C; U-100% 15N]' . . 1 $lkr136b . . 1.18 . . mM . . . . 16325 2 2 'pentaethylene glycol monododecyl ether' 'natural abundance' . . . . . . 4 . . % . . . . 16325 2 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 16325 2 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16325 2 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16325 2 6 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 16325 2 7 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 16325 2 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16325 2 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16325 2 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 16325 _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' 0.2 . M 16325 1 pH 4.5 . pH 16325 1 pressure 1 . atm 16325 1 temperature 298 . K 16325 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16325 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16325 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16325 1 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16325 _Software.ID 2 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16325 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16325 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16325 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16325 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16325 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16325 _Software.ID 4 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16325 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16325 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16325 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16325 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 16325 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 16325 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16325 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16325 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16325 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16325 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16325 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16325 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16325 1 8 '2D HSQC/TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16325 1 9 '2D HSQC/TROSY' no . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16325 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 16325 _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 . . . . . . . . . 16325 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16325 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16325 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 16325 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16325 1 3 '3D HNCACB' . . . 16325 1 4 '3D CBCA(CO)NH' . . . 16325 1 5 '3D C(CO)NH' . . . 16325 1 7 '3D 1H-13C NOESY' . . . 16325 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 4 $NMRView . . 16325 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 3.810 0.02 . 1 . . . . 1 M HA . 16325 1 2 . 1 1 1 1 MET HB2 H 1 2.170 0.02 . 2 . . . . 1 M HB2 . 16325 1 3 . 1 1 1 1 MET CA C 13 61.200 0.40 . 1 . . . . 1 M CA . 16325 1 4 . 1 1 1 1 MET CB C 13 32.900 0.40 . 1 . . . . 1 M CB . 16325 1 5 . 1 1 2 2 VAL HA H 1 3.810 0.02 . 1 . . . . 2 V HA . 16325 1 6 . 1 1 2 2 VAL HB H 1 2.170 0.02 . 1 . . . . 2 V HB . 16325 1 7 . 1 1 2 2 VAL HG21 H 1 0.970 0.02 . 2 . . . . 2 V HG21 . 16325 1 8 . 1 1 2 2 VAL HG22 H 1 0.970 0.02 . 2 . . . . 2 V HG21 . 16325 1 9 . 1 1 2 2 VAL HG23 H 1 0.970 0.02 . 2 . . . . 2 V HG21 . 16325 1 10 . 1 1 2 2 VAL C C 13 171.900 0.40 . 1 . . . . 2 V C . 16325 1 11 . 1 1 2 2 VAL CA C 13 61.200 0.40 . 1 . . . . 2 V CA . 16325 1 12 . 1 1 2 2 VAL CB C 13 32.900 0.40 . 1 . . . . 2 V CB . 16325 1 13 . 1 1 2 2 VAL CG2 C 13 20.300 0.40 . 2 . . . . 2 V CG2 . 16325 1 14 . 1 1 3 3 LYS H H 1 8.620 0.02 . 1 . . . . 3 K HN . 16325 1 15 . 1 1 3 3 LYS HA H 1 4.400 0.02 . 1 . . . . 3 K HA . 16325 1 16 . 1 1 3 3 LYS HB2 H 1 1.700 0.02 . 2 . . . . 3 K HB2 . 16325 1 17 . 1 1 3 3 LYS HE2 H 1 2.950 0.02 . 2 . . . . 3 K HE2 . 16325 1 18 . 1 1 3 3 LYS HG2 H 1 1.350 0.02 . 2 . . . . 3 K HG2 . 16325 1 19 . 1 1 3 3 LYS C C 13 175.800 0.40 . 1 . . . . 3 K C . 16325 1 20 . 1 1 3 3 LYS CA C 13 56.240 0.40 . 1 . . . . 3 K CA . 16325 1 21 . 1 1 3 3 LYS CB C 13 33.190 0.40 . 1 . . . . 3 K CB . 16325 1 22 . 1 1 3 3 LYS CD C 13 29.200 0.40 . 1 . . . . 3 K CD . 16325 1 23 . 1 1 3 3 LYS CE C 13 42.300 0.40 . 1 . . . . 3 K CE . 16325 1 24 . 1 1 3 3 LYS CG C 13 24.800 0.40 . 1 . . . . 3 K CG . 16325 1 25 . 1 1 3 3 LYS N N 15 126.140 0.30 . 1 . . . . 3 K N . 16325 1 26 . 1 1 4 4 VAL H H 1 8.350 0.02 . 1 . . . . 4 V HN . 16325 1 27 . 1 1 4 4 VAL HG21 H 1 0.770 0.02 . 2 . . . . 4 V HG21 . 16325 1 28 . 1 1 4 4 VAL HG22 H 1 0.770 0.02 . 2 . . . . 4 V HG21 . 16325 1 29 . 1 1 4 4 VAL HG23 H 1 0.770 0.02 . 2 . . . . 4 V HG21 . 16325 1 30 . 1 1 4 4 VAL C C 13 175.600 0.40 . 1 . . . . 4 V C . 16325 1 31 . 1 1 4 4 VAL CA C 13 62.200 0.40 . 1 . . . . 4 V CA . 16325 1 32 . 1 1 4 4 VAL CB C 13 33.060 0.40 . 1 . . . . 4 V CB . 16325 1 33 . 1 1 4 4 VAL CG2 C 13 21.100 0.40 . 2 . . . . 4 V CG2 . 16325 1 34 . 1 1 4 4 VAL N N 15 123.850 0.30 . 1 . . . . 4 V N . 16325 1 35 . 1 1 5 5 THR H H 1 8.100 0.02 . 1 . . . . 5 T HN . 16325 1 36 . 1 1 5 5 THR HA H 1 4.060 0.02 . 1 . . . . 5 T HA . 16325 1 37 . 1 1 5 5 THR HB H 1 4.330 0.02 . 1 . . . . 5 T HB . 16325 1 38 . 1 1 5 5 THR HG21 H 1 1.100 0.02 . 1 . . . . 5 T HG21 . 16325 1 39 . 1 1 5 5 THR HG22 H 1 1.100 0.02 . 1 . . . . 5 T HG21 . 16325 1 40 . 1 1 5 5 THR HG23 H 1 1.100 0.02 . 1 . . . . 5 T HG21 . 16325 1 41 . 1 1 5 5 THR C C 13 173.400 0.40 . 1 . . . . 5 T C . 16325 1 42 . 1 1 5 5 THR CA C 13 61.220 0.40 . 1 . . . . 5 T CA . 16325 1 43 . 1 1 5 5 THR CB C 13 70.100 0.40 . 1 . . . . 5 T CB . 16325 1 44 . 1 1 5 5 THR CG2 C 13 21.800 0.40 . 1 . . . . 5 T CG2 . 16325 1 45 . 1 1 5 5 THR N N 15 118.630 0.30 . 1 . . . . 5 T N . 16325 1 46 . 1 1 6 6 TYR H H 1 8.300 0.02 . 1 . . . . 6 Y HN . 16325 1 47 . 1 1 6 6 TYR HB2 H 1 3.120 0.02 . 2 . . . . 6 Y HB1 . 16325 1 48 . 1 1 6 6 TYR HB3 H 1 2.800 0.02 . 2 . . . . 6 Y HB2 . 16325 1 49 . 1 1 6 6 TYR HD1 H 1 7.050 0.02 . 3 . . . . 6 Y HD1 . 16325 1 50 . 1 1 6 6 TYR HE1 H 1 6.720 0.02 . 3 . . . . 6 Y HE1 . 16325 1 51 . 1 1 6 6 TYR C C 13 175.400 0.40 . 1 . . . . 6 Y C . 16325 1 52 . 1 1 6 6 TYR CA C 13 57.480 0.40 . 1 . . . . 6 Y CA . 16325 1 53 . 1 1 6 6 TYR CB C 13 39.400 0.40 . 1 . . . . 6 Y CB . 16325 1 54 . 1 1 6 6 TYR CD1 C 13 133.400 0.40 . 2 . . . . 6 Y CD1 . 16325 1 55 . 1 1 6 6 TYR CE1 C 13 118.200 0.40 . 2 . . . . 6 Y CE1 . 16325 1 56 . 1 1 6 6 TYR N N 15 123.230 0.30 . 1 . . . . 6 Y N . 16325 1 57 . 1 1 7 7 ASP H H 1 8.560 0.02 . 1 . . . . 7 D HN . 16325 1 58 . 1 1 7 7 ASP HA H 1 4.670 0.02 . 1 . . . . 7 D HA . 16325 1 59 . 1 1 7 7 ASP HB2 H 1 2.670 0.02 . 2 . . . . 7 D HB2 . 16325 1 60 . 1 1 7 7 ASP C C 13 175.100 0.40 . 1 . . . . 7 D C . 16325 1 61 . 1 1 7 7 ASP CA C 13 54.400 0.40 . 1 . . . . 7 D CA . 16325 1 62 . 1 1 7 7 ASP CB C 13 41.250 0.40 . 1 . . . . 7 D CB . 16325 1 63 . 1 1 7 7 ASP N N 15 122.230 0.30 . 1 . . . . 7 D N . 16325 1 64 . 1 1 8 8 GLY H H 1 7.610 0.02 . 1 . . . . 8 G HN . 16325 1 65 . 1 1 8 8 GLY HA2 H 1 3.930 0.02 . 2 . . . . 8 G HA1 . 16325 1 66 . 1 1 8 8 GLY HA3 H 1 4.140 0.02 . 2 . . . . 8 G HA2 . 16325 1 67 . 1 1 8 8 GLY C C 13 171.900 0.40 . 1 . . . . 8 G C . 16325 1 68 . 1 1 8 8 GLY CA C 13 44.940 0.40 . 1 . . . . 8 G CA . 16325 1 69 . 1 1 8 8 GLY N N 15 106.550 0.30 . 1 . . . . 8 G N . 16325 1 70 . 1 1 9 9 VAL H H 1 8.050 0.02 . 1 . . . . 9 V HN . 16325 1 71 . 1 1 9 9 VAL HA H 1 4.520 0.02 . 1 . . . . 9 V HA . 16325 1 72 . 1 1 9 9 VAL HB H 1 1.900 0.02 . 1 . . . . 9 V HB . 16325 1 73 . 1 1 9 9 VAL HG11 H 1 0.570 0.02 . 2 . . . . 9 V HG11 . 16325 1 74 . 1 1 9 9 VAL HG12 H 1 0.570 0.02 . 2 . . . . 9 V HG11 . 16325 1 75 . 1 1 9 9 VAL HG13 H 1 0.570 0.02 . 2 . . . . 9 V HG11 . 16325 1 76 . 1 1 9 9 VAL HG21 H 1 0.570 0.02 . 2 . . . . 9 V HG21 . 16325 1 77 . 1 1 9 9 VAL HG22 H 1 0.570 0.02 . 2 . . . . 9 V HG21 . 16325 1 78 . 1 1 9 9 VAL HG23 H 1 0.570 0.02 . 2 . . . . 9 V HG21 . 16325 1 79 . 1 1 9 9 VAL C C 13 173.700 0.40 . 1 . . . . 9 V C . 16325 1 80 . 1 1 9 9 VAL CA C 13 59.940 0.40 . 1 . . . . 9 V CA . 16325 1 81 . 1 1 9 9 VAL CB C 13 33.470 0.40 . 1 . . . . 9 V CB . 16325 1 82 . 1 1 9 9 VAL CG1 C 13 20.500 0.40 . 2 . . . . 9 V CG1 . 16325 1 83 . 1 1 9 9 VAL CG2 C 13 22.300 0.40 . 2 . . . . 9 V CG2 . 16325 1 84 . 1 1 9 9 VAL N N 15 115.200 0.30 . 1 . . . . 9 V N . 16325 1 85 . 1 1 10 10 TYR H H 1 8.720 0.02 . 1 . . . . 10 Y HN . 16325 1 86 . 1 1 10 10 TYR HB2 H 1 2.610 0.02 . 2 . . . . 10 Y HB2 . 16325 1 87 . 1 1 10 10 TYR HD1 H 1 6.880 0.02 . 3 . . . . 10 Y HD1 . 16325 1 88 . 1 1 10 10 TYR HE1 H 1 6.720 0.02 . 3 . . . . 10 Y HE1 . 16325 1 89 . 1 1 10 10 TYR C C 13 175.700 0.40 . 1 . . . . 10 Y C . 16325 1 90 . 1 1 10 10 TYR CA C 13 57.730 0.40 . 1 . . . . 10 Y CA . 16325 1 91 . 1 1 10 10 TYR CB C 13 41.210 0.40 . 1 . . . . 10 Y CB . 16325 1 92 . 1 1 10 10 TYR CD1 C 13 133.500 0.40 . 2 . . . . 10 Y CD1 . 16325 1 93 . 1 1 10 10 TYR CE1 C 13 118.450 0.40 . 2 . . . . 10 Y CE1 . 16325 1 94 . 1 1 10 10 TYR N N 15 122.700 0.30 . 1 . . . . 10 Y N . 16325 1 95 . 1 1 11 11 VAL H H 1 8.810 0.02 . 1 . . . . 11 V HN . 16325 1 96 . 1 1 11 11 VAL HA H 1 3.880 0.02 . 1 . . . . 11 V HA . 16325 1 97 . 1 1 11 11 VAL HB H 1 2.250 0.02 . 1 . . . . 11 V HB . 16325 1 98 . 1 1 11 11 VAL HG11 H 1 0.520 0.02 . 2 . . . . 11 V HG11 . 16325 1 99 . 1 1 11 11 VAL HG12 H 1 0.520 0.02 . 2 . . . . 11 V HG11 . 16325 1 100 . 1 1 11 11 VAL HG13 H 1 0.520 0.02 . 2 . . . . 11 V HG11 . 16325 1 101 . 1 1 11 11 VAL HG21 H 1 0.770 0.02 . 2 . . . . 11 V HG21 . 16325 1 102 . 1 1 11 11 VAL HG22 H 1 0.770 0.02 . 2 . . . . 11 V HG21 . 16325 1 103 . 1 1 11 11 VAL HG23 H 1 0.770 0.02 . 2 . . . . 11 V HG21 . 16325 1 104 . 1 1 11 11 VAL C C 13 175.700 0.40 . 1 . . . . 11 V C . 16325 1 105 . 1 1 11 11 VAL CA C 13 62.810 0.40 . 1 . . . . 11 V CA . 16325 1 106 . 1 1 11 11 VAL CB C 13 31.920 0.40 . 1 . . . . 11 V CB . 16325 1 107 . 1 1 11 11 VAL CG1 C 13 22.700 0.40 . 2 . . . . 11 V CG1 . 16325 1 108 . 1 1 11 11 VAL CG2 C 13 22.700 0.40 . 2 . . . . 11 V CG2 . 16325 1 109 . 1 1 11 11 VAL N N 15 121.170 0.30 . 1 . . . . 11 V N . 16325 1 110 . 1 1 12 12 LEU H H 1 9.390 0.02 . 1 . . . . 12 L HN . 16325 1 111 . 1 1 12 12 LEU HA H 1 4.350 0.02 . 1 . . . . 12 L HA . 16325 1 112 . 1 1 12 12 LEU HB2 H 1 1.220 0.02 . 2 . . . . 12 L HB1 . 16325 1 113 . 1 1 12 12 LEU HB3 H 1 1.570 0.02 . 2 . . . . 12 L HB2 . 16325 1 114 . 1 1 12 12 LEU HD11 H 1 0.870 0.02 . 2 . . . . 12 L HD11 . 16325 1 115 . 1 1 12 12 LEU HD12 H 1 0.870 0.02 . 2 . . . . 12 L HD11 . 16325 1 116 . 1 1 12 12 LEU HD13 H 1 0.870 0.02 . 2 . . . . 12 L HD11 . 16325 1 117 . 1 1 12 12 LEU HD21 H 1 0.760 0.02 . 2 . . . . 12 L HD21 . 16325 1 118 . 1 1 12 12 LEU HD22 H 1 0.760 0.02 . 2 . . . . 12 L HD21 . 16325 1 119 . 1 1 12 12 LEU HD23 H 1 0.760 0.02 . 2 . . . . 12 L HD21 . 16325 1 120 . 1 1 12 12 LEU CA C 13 56.560 0.40 . 1 . . . . 12 L CA . 16325 1 121 . 1 1 12 12 LEU CB C 13 43.120 0.40 . 1 . . . . 12 L CB . 16325 1 122 . 1 1 12 12 LEU CD1 C 13 23.500 0.40 . 2 . . . . 12 L CD1 . 16325 1 123 . 1 1 12 12 LEU CD2 C 13 22.500 0.40 . 2 . . . . 12 L CD2 . 16325 1 124 . 1 1 12 12 LEU CG C 13 25.600 0.40 . 1 . . . . 12 L CG . 16325 1 125 . 1 1 12 12 LEU N N 15 133.040 0.30 . 1 . . . . 12 L N . 16325 1 126 . 1 1 13 13 SER H H 1 7.490 0.02 . 1 . . . . 13 S HN . 16325 1 127 . 1 1 13 13 SER HA H 1 3.700 0.02 . 1 . . . . 13 S HA . 16325 1 128 . 1 1 13 13 SER HB2 H 1 4.510 0.02 . 2 . . . . 13 S HB2 . 16325 1 129 . 1 1 13 13 SER C C 13 171.100 0.40 . 1 . . . . 13 S C . 16325 1 130 . 1 1 13 13 SER CA C 13 56.890 0.40 . 1 . . . . 13 S CA . 16325 1 131 . 1 1 13 13 SER CB C 13 65.220 0.40 . 1 . . . . 13 S CB . 16325 1 132 . 1 1 13 13 SER N N 15 109.070 0.30 . 1 . . . . 13 S N . 16325 1 133 . 1 1 14 14 VAL H H 1 8.380 0.02 . 1 . . . . 14 V HN . 16325 1 134 . 1 1 14 14 VAL HA H 1 4.360 0.02 . 1 . . . . 14 V HA . 16325 1 135 . 1 1 14 14 VAL HB H 1 1.690 0.02 . 1 . . . . 14 V HB . 16325 1 136 . 1 1 14 14 VAL HG11 H 1 0.500 0.02 . 2 . . . . 14 V HG11 . 16325 1 137 . 1 1 14 14 VAL HG12 H 1 0.500 0.02 . 2 . . . . 14 V HG11 . 16325 1 138 . 1 1 14 14 VAL HG13 H 1 0.500 0.02 . 2 . . . . 14 V HG11 . 16325 1 139 . 1 1 14 14 VAL HG21 H 1 0.810 0.02 . 2 . . . . 14 V HG21 . 16325 1 140 . 1 1 14 14 VAL HG22 H 1 0.810 0.02 . 2 . . . . 14 V HG21 . 16325 1 141 . 1 1 14 14 VAL HG23 H 1 0.810 0.02 . 2 . . . . 14 V HG21 . 16325 1 142 . 1 1 14 14 VAL C C 13 175.500 0.40 . 1 . . . . 14 V C . 16325 1 143 . 1 1 14 14 VAL CA C 13 61.270 0.40 . 1 . . . . 14 V CA . 16325 1 144 . 1 1 14 14 VAL CB C 13 34.620 0.40 . 1 . . . . 14 V CB . 16325 1 145 . 1 1 14 14 VAL CG1 C 13 20.850 0.40 . 2 . . . . 14 V CG1 . 16325 1 146 . 1 1 14 14 VAL CG2 C 13 20.100 0.40 . 2 . . . . 14 V CG2 . 16325 1 147 . 1 1 14 14 VAL N N 15 121.190 0.30 . 1 . . . . 14 V N . 16325 1 148 . 1 1 15 15 LYS H H 1 7.920 0.02 . 1 . . . . 15 K HN . 16325 1 149 . 1 1 15 15 LYS HA H 1 4.180 0.02 . 1 . . . . 15 K HA . 16325 1 150 . 1 1 15 15 LYS HB2 H 1 2.050 0.02 . 2 . . . . 15 K HB2 . 16325 1 151 . 1 1 15 15 LYS HD2 H 1 1.610 0.02 . 2 . . . . 15 K HD2 . 16325 1 152 . 1 1 15 15 LYS HE2 H 1 2.930 0.02 . 2 . . . . 15 K HE2 . 16325 1 153 . 1 1 15 15 LYS HG2 H 1 1.610 0.02 . 2 . . . . 15 K HG2 . 16325 1 154 . 1 1 15 15 LYS C C 13 175.600 0.40 . 1 . . . . 15 K C . 16325 1 155 . 1 1 15 15 LYS CA C 13 57.150 0.40 . 1 . . . . 15 K CA . 16325 1 156 . 1 1 15 15 LYS CB C 13 33.730 0.40 . 1 . . . . 15 K CB . 16325 1 157 . 1 1 15 15 LYS CD C 13 29.200 0.40 . 1 . . . . 15 K CD . 16325 1 158 . 1 1 15 15 LYS CE C 13 42.300 0.40 . 1 . . . . 15 K CE . 16325 1 159 . 1 1 15 15 LYS CG C 13 25.900 0.40 . 1 . . . . 15 K CG . 16325 1 160 . 1 1 15 15 LYS N N 15 126.860 0.30 . 1 . . . . 15 K N . 16325 1 161 . 1 1 16 16 GLU H H 1 8.200 0.02 . 1 . . . . 16 E HN . 16325 1 162 . 1 1 16 16 GLU HA H 1 4.240 0.02 . 1 . . . . 16 E HA . 16325 1 163 . 1 1 16 16 GLU HB2 H 1 1.960 0.02 . 2 . . . . 16 E HB2 . 16325 1 164 . 1 1 16 16 GLU HG2 H 1 2.360 0.02 . 2 . . . . 16 E HG2 . 16325 1 165 . 1 1 16 16 GLU C C 13 177.000 0.40 . 1 . . . . 16 E C . 16325 1 166 . 1 1 16 16 GLU CA C 13 56.720 0.40 . 1 . . . . 16 E CA . 16325 1 167 . 1 1 16 16 GLU CB C 13 30.090 0.40 . 1 . . . . 16 E CB . 16325 1 168 . 1 1 16 16 GLU CG C 13 35.700 0.40 . 1 . . . . 16 E CG . 16325 1 169 . 1 1 16 16 GLU N N 15 117.010 0.30 . 1 . . . . 16 E N . 16325 1 170 . 1 1 17 17 ASP H H 1 8.910 0.02 . 1 . . . . 17 D HN . 16325 1 171 . 1 1 17 17 ASP HA H 1 4.420 0.02 . 1 . . . . 17 D HA . 16325 1 172 . 1 1 17 17 ASP HB2 H 1 2.780 0.02 . 2 . . . . 17 D HB2 . 16325 1 173 . 1 1 17 17 ASP C C 13 174.500 0.40 . 1 . . . . 17 D C . 16325 1 174 . 1 1 17 17 ASP CA C 13 54.540 0.40 . 1 . . . . 17 D CA . 16325 1 175 . 1 1 17 17 ASP CB C 13 38.700 0.40 . 1 . . . . 17 D CB . 16325 1 176 . 1 1 17 17 ASP N N 15 116.410 0.30 . 1 . . . . 17 D N . 16325 1 177 . 1 1 18 18 VAL H H 1 6.670 0.02 . 1 . . . . 18 V HN . 16325 1 178 . 1 1 18 18 VAL HA H 1 4.840 0.02 . 1 . . . . 18 V HA . 16325 1 179 . 1 1 18 18 VAL HB H 1 2.310 0.02 . 1 . . . . 18 V HB . 16325 1 180 . 1 1 18 18 VAL HG21 H 1 0.870 0.02 . 2 . . . . 18 V HG21 . 16325 1 181 . 1 1 18 18 VAL HG22 H 1 0.870 0.02 . 2 . . . . 18 V HG21 . 16325 1 182 . 1 1 18 18 VAL HG23 H 1 0.870 0.02 . 2 . . . . 18 V HG21 . 16325 1 183 . 1 1 18 18 VAL CA C 13 58.350 0.40 . 1 . . . . 18 V CA . 16325 1 184 . 1 1 18 18 VAL CB C 13 32.330 0.40 . 1 . . . . 18 V CB . 16325 1 185 . 1 1 18 18 VAL CG2 C 13 18.600 0.40 . 2 . . . . 18 V CG2 . 16325 1 186 . 1 1 18 18 VAL N N 15 108.460 0.30 . 1 . . . . 18 V N . 16325 1 187 . 1 1 19 19 PRO HA H 1 4.260 0.02 . 1 . . . . 19 P HA . 16325 1 188 . 1 1 19 19 PRO HB2 H 1 2.570 0.02 . 2 . . . . 19 P HB2 . 16325 1 189 . 1 1 19 19 PRO HD2 H 1 3.820 0.02 . 2 . . . . 19 P HD1 . 16325 1 190 . 1 1 19 19 PRO HD3 H 1 3.500 0.02 . 2 . . . . 19 P HD2 . 16325 1 191 . 1 1 19 19 PRO HG2 H 1 2.100 0.02 . 2 . . . . 19 P HG1 . 16325 1 192 . 1 1 19 19 PRO HG3 H 1 2.320 0.02 . 2 . . . . 19 P HG2 . 16325 1 193 . 1 1 19 19 PRO C C 13 177.600 0.40 . 1 . . . . 19 P C . 16325 1 194 . 1 1 19 19 PRO CA C 13 65.900 0.40 . 1 . . . . 19 P CA . 16325 1 195 . 1 1 19 19 PRO CB C 13 33.200 0.40 . 1 . . . . 19 P CB . 16325 1 196 . 1 1 19 19 PRO CD C 13 50.690 0.40 . 1 . . . . 19 P CD . 16325 1 197 . 1 1 19 19 PRO CG C 13 28.600 0.40 . 1 . . . . 19 P CG . 16325 1 198 . 1 1 20 20 ALA H H 1 8.270 0.02 . 1 . . . . 20 A HN . 16325 1 199 . 1 1 20 20 ALA HA H 1 3.930 0.02 . 1 . . . . 20 A HA . 16325 1 200 . 1 1 20 20 ALA HB1 H 1 1.110 0.02 . 1 . . . . 20 A HB1 . 16325 1 201 . 1 1 20 20 ALA HB2 H 1 1.110 0.02 . 1 . . . . 20 A HB1 . 16325 1 202 . 1 1 20 20 ALA HB3 H 1 1.110 0.02 . 1 . . . . 20 A HB1 . 16325 1 203 . 1 1 20 20 ALA C C 13 177.100 0.40 . 1 . . . . 20 A C . 16325 1 204 . 1 1 20 20 ALA CA C 13 53.150 0.40 . 1 . . . . 20 A CA . 16325 1 205 . 1 1 20 20 ALA CB C 13 19.850 0.40 . 1 . . . . 20 A CB . 16325 1 206 . 1 1 20 20 ALA N N 15 112.780 0.30 . 1 . . . . 20 A N . 16325 1 207 . 1 1 21 21 ALA H H 1 7.880 0.02 . 1 . . . . 21 A HN . 16325 1 208 . 1 1 21 21 ALA HA H 1 4.040 0.02 . 1 . . . . 21 A HA . 16325 1 209 . 1 1 21 21 ALA HB1 H 1 1.580 0.02 . 1 . . . . 21 A HB1 . 16325 1 210 . 1 1 21 21 ALA HB2 H 1 1.580 0.02 . 1 . . . . 21 A HB1 . 16325 1 211 . 1 1 21 21 ALA HB3 H 1 1.580 0.02 . 1 . . . . 21 A HB1 . 16325 1 212 . 1 1 21 21 ALA C C 13 178.500 0.40 . 1 . . . . 21 A C . 16325 1 213 . 1 1 21 21 ALA CA C 13 54.210 0.40 . 1 . . . . 21 A CA . 16325 1 214 . 1 1 21 21 ALA CB C 13 18.010 0.40 . 1 . . . . 21 A CB . 16325 1 215 . 1 1 21 21 ALA N N 15 122.260 0.30 . 1 . . . . 21 A N . 16325 1 216 . 1 1 22 22 GLY H H 1 8.970 0.02 . 1 . . . . 22 G HN . 16325 1 217 . 1 1 22 22 GLY HA2 H 1 4.120 0.02 . 2 . . . . 22 G HA1 . 16325 1 218 . 1 1 22 22 GLY HA3 H 1 3.670 0.02 . 2 . . . . 22 G HA2 . 16325 1 219 . 1 1 22 22 GLY C C 13 173.300 0.40 . 1 . . . . 22 G C . 16325 1 220 . 1 1 22 22 GLY CA C 13 45.210 0.40 . 1 . . . . 22 G CA . 16325 1 221 . 1 1 22 22 GLY N N 15 110.560 0.30 . 1 . . . . 22 G N . 16325 1 222 . 1 1 23 23 ILE H H 1 7.700 0.02 . 1 . . . . 23 I HN . 16325 1 223 . 1 1 23 23 ILE HA H 1 3.950 0.02 . 1 . . . . 23 I HA . 16325 1 224 . 1 1 23 23 ILE HB H 1 1.440 0.02 . 1 . . . . 23 I HB . 16325 1 225 . 1 1 23 23 ILE HD11 H 1 0.790 0.02 . 1 . . . . 23 I HD11 . 16325 1 226 . 1 1 23 23 ILE HD12 H 1 0.790 0.02 . 1 . . . . 23 I HD11 . 16325 1 227 . 1 1 23 23 ILE HD13 H 1 0.790 0.02 . 1 . . . . 23 I HD11 . 16325 1 228 . 1 1 23 23 ILE HG12 H 1 0.970 0.02 . 2 . . . . 23 I HG11 . 16325 1 229 . 1 1 23 23 ILE HG13 H 1 1.360 0.02 . 2 . . . . 23 I HG12 . 16325 1 230 . 1 1 23 23 ILE HG21 H 1 0.690 0.02 . 1 . . . . 23 I HG21 . 16325 1 231 . 1 1 23 23 ILE HG22 H 1 0.690 0.02 . 1 . . . . 23 I HG21 . 16325 1 232 . 1 1 23 23 ILE HG23 H 1 0.690 0.02 . 1 . . . . 23 I HG21 . 16325 1 233 . 1 1 23 23 ILE C C 13 175.300 0.40 . 1 . . . . 23 I C . 16325 1 234 . 1 1 23 23 ILE CA C 13 62.530 0.40 . 1 . . . . 23 I CA . 16325 1 235 . 1 1 23 23 ILE CB C 13 40.040 0.40 . 1 . . . . 23 I CB . 16325 1 236 . 1 1 23 23 ILE CD1 C 13 12.900 0.40 . 1 . . . . 23 I CD1 . 16325 1 237 . 1 1 23 23 ILE CG1 C 13 27.100 0.40 . 1 . . . . 23 I CG1 . 16325 1 238 . 1 1 23 23 ILE CG2 C 13 17.300 0.40 . 1 . . . . 23 I CG2 . 16325 1 239 . 1 1 23 23 ILE N N 15 120.200 0.30 . 1 . . . . 23 I N . 16325 1 240 . 1 1 24 24 LEU H H 1 7.480 0.02 . 1 . . . . 24 L HN . 16325 1 241 . 1 1 24 24 LEU HA H 1 4.250 0.02 . 1 . . . . 24 L HA . 16325 1 242 . 1 1 24 24 LEU HB2 H 1 0.950 0.02 . 2 . . . . 24 L HB1 . 16325 1 243 . 1 1 24 24 LEU HB3 H 1 1.230 0.02 . 2 . . . . 24 L HB2 . 16325 1 244 . 1 1 24 24 LEU HD11 H 1 -0.050 0.02 . 2 . . . . 24 L HD11 . 16325 1 245 . 1 1 24 24 LEU HD12 H 1 -0.050 0.02 . 2 . . . . 24 L HD11 . 16325 1 246 . 1 1 24 24 LEU HD13 H 1 -0.050 0.02 . 2 . . . . 24 L HD11 . 16325 1 247 . 1 1 24 24 LEU HG H 1 0.470 0.02 . 1 . . . . 24 L HG . 16325 1 248 . 1 1 24 24 LEU C C 13 174.000 0.40 . 1 . . . . 24 L C . 16325 1 249 . 1 1 24 24 LEU CA C 13 52.990 0.40 . 1 . . . . 24 L CA . 16325 1 250 . 1 1 24 24 LEU CB C 13 44.740 0.40 . 1 . . . . 24 L CB . 16325 1 251 . 1 1 24 24 LEU CD1 C 13 22.200 0.40 . 2 . . . . 24 L CD1 . 16325 1 252 . 1 1 24 24 LEU CG C 13 26.300 0.40 . 1 . . . . 24 L CG . 16325 1 253 . 1 1 24 24 LEU N N 15 116.660 0.30 . 1 . . . . 24 L N . 16325 1 254 . 1 1 25 25 HIS H H 1 8.280 0.02 . 1 . . . . 25 H HN . 16325 1 255 . 1 1 25 25 HIS HA H 1 4.570 0.02 . 1 . . . . 25 H HA . 16325 1 256 . 1 1 25 25 HIS HB2 H 1 2.790 0.02 . 2 . . . . 25 H HB1 . 16325 1 257 . 1 1 25 25 HIS HB3 H 1 3.400 0.02 . 2 . . . . 25 H HB2 . 16325 1 258 . 1 1 25 25 HIS HE1 H 1 8.260 0.02 . 1 . . . . 25 H HE1 . 16325 1 259 . 1 1 25 25 HIS C C 13 173.400 0.40 . 1 . . . . 25 H C . 16325 1 260 . 1 1 25 25 HIS CA C 13 54.370 0.40 . 1 . . . . 25 H CA . 16325 1 261 . 1 1 25 25 HIS CB C 13 32.150 0.40 . 1 . . . . 25 H CB . 16325 1 262 . 1 1 25 25 HIS CE1 C 13 136.000 0.40 . 1 . . . . 25 H CE1 . 16325 1 263 . 1 1 25 25 HIS N N 15 115.300 0.30 . 1 . . . . 25 H N . 16325 1 264 . 1 1 26 26 ALA H H 1 8.900 0.02 . 1 . . . . 26 A HN . 16325 1 265 . 1 1 26 26 ALA HA H 1 3.730 0.02 . 1 . . . . 26 A HA . 16325 1 266 . 1 1 26 26 ALA HB1 H 1 1.350 0.02 . 1 . . . . 26 A HB1 . 16325 1 267 . 1 1 26 26 ALA HB2 H 1 1.350 0.02 . 1 . . . . 26 A HB1 . 16325 1 268 . 1 1 26 26 ALA HB3 H 1 1.350 0.02 . 1 . . . . 26 A HB1 . 16325 1 269 . 1 1 26 26 ALA C C 13 178.500 0.40 . 1 . . . . 26 A C . 16325 1 270 . 1 1 26 26 ALA CA C 13 53.740 0.40 . 1 . . . . 26 A CA . 16325 1 271 . 1 1 26 26 ALA CB C 13 18.400 0.40 . 1 . . . . 26 A CB . 16325 1 272 . 1 1 26 26 ALA N N 15 124.340 0.30 . 1 . . . . 26 A N . 16325 1 273 . 1 1 27 27 GLY H H 1 9.430 0.02 . 1 . . . . 27 G HN . 16325 1 274 . 1 1 27 27 GLY HA2 H 1 4.500 0.02 . 2 . . . . 27 G HA1 . 16325 1 275 . 1 1 27 27 GLY HA3 H 1 3.620 0.02 . 2 . . . . 27 G HA2 . 16325 1 276 . 1 1 27 27 GLY C C 13 174.500 0.40 . 1 . . . . 27 G C . 16325 1 277 . 1 1 27 27 GLY CA C 13 44.900 0.40 . 1 . . . . 27 G CA . 16325 1 278 . 1 1 27 27 GLY N N 15 113.020 0.30 . 1 . . . . 27 G N . 16325 1 279 . 1 1 28 28 ASP H H 1 8.150 0.02 . 1 . . . . 28 D HN . 16325 1 280 . 1 1 28 28 ASP HA H 1 5.000 0.02 . 1 . . . . 28 D HA . 16325 1 281 . 1 1 28 28 ASP HB2 H 1 2.730 0.02 . 2 . . . . 28 D HB2 . 16325 1 282 . 1 1 28 28 ASP C C 13 173.800 0.40 . 1 . . . . 28 D C . 16325 1 283 . 1 1 28 28 ASP CA C 13 55.510 0.40 . 1 . . . . 28 D CA . 16325 1 284 . 1 1 28 28 ASP CB C 13 41.190 0.40 . 1 . . . . 28 D CB . 16325 1 285 . 1 1 28 28 ASP N N 15 121.760 0.30 . 1 . . . . 28 D N . 16325 1 286 . 1 1 29 29 LEU H H 1 8.000 0.02 . 1 . . . . 29 L HN . 16325 1 287 . 1 1 29 29 LEU HA H 1 4.640 0.02 . 1 . . . . 29 L HA . 16325 1 288 . 1 1 29 29 LEU HB2 H 1 1.260 0.02 . 2 . . . . 29 L HB1 . 16325 1 289 . 1 1 29 29 LEU HB3 H 1 1.630 0.02 . 2 . . . . 29 L HB2 . 16325 1 290 . 1 1 29 29 LEU HD11 H 1 0.070 0.02 . 2 . . . . 29 L HD11 . 16325 1 291 . 1 1 29 29 LEU HD12 H 1 0.070 0.02 . 2 . . . . 29 L HD11 . 16325 1 292 . 1 1 29 29 LEU HD13 H 1 0.070 0.02 . 2 . . . . 29 L HD11 . 16325 1 293 . 1 1 29 29 LEU HG H 1 0.600 0.02 . 1 . . . . 29 L HG . 16325 1 294 . 1 1 29 29 LEU C C 13 176.300 0.40 . 1 . . . . 29 L C . 16325 1 295 . 1 1 29 29 LEU CA C 13 53.120 0.40 . 1 . . . . 29 L CA . 16325 1 296 . 1 1 29 29 LEU CB C 13 45.320 0.40 . 1 . . . . 29 L CB . 16325 1 297 . 1 1 29 29 LEU CD1 C 13 22.400 0.40 . 2 . . . . 29 L CD1 . 16325 1 298 . 1 1 29 29 LEU CG C 13 26.100 0.40 . 1 . . . . 29 L CG . 16325 1 299 . 1 1 29 29 LEU N N 15 122.000 0.30 . 1 . . . . 29 L N . 16325 1 300 . 1 1 30 30 ILE H H 1 9.210 0.02 . 1 . . . . 30 I HN . 16325 1 301 . 1 1 30 30 ILE HA H 1 4.360 0.02 . 1 . . . . 30 I HA . 16325 1 302 . 1 1 30 30 ILE HB H 1 1.480 0.02 . 1 . . . . 30 I HB . 16325 1 303 . 1 1 30 30 ILE HD11 H 1 0.410 0.02 . 1 . . . . 30 I HD11 . 16325 1 304 . 1 1 30 30 ILE HD12 H 1 0.410 0.02 . 1 . . . . 30 I HD11 . 16325 1 305 . 1 1 30 30 ILE HD13 H 1 0.410 0.02 . 1 . . . . 30 I HD11 . 16325 1 306 . 1 1 30 30 ILE HG12 H 1 0.740 0.02 . 2 . . . . 30 I HG12 . 16325 1 307 . 1 1 30 30 ILE HG21 H 1 0.740 0.02 . 1 . . . . 30 I HG21 . 16325 1 308 . 1 1 30 30 ILE HG22 H 1 0.740 0.02 . 1 . . . . 30 I HG21 . 16325 1 309 . 1 1 30 30 ILE HG23 H 1 0.740 0.02 . 1 . . . . 30 I HG21 . 16325 1 310 . 1 1 30 30 ILE C C 13 175.800 0.40 . 1 . . . . 30 I C . 16325 1 311 . 1 1 30 30 ILE CA C 13 61.200 0.40 . 1 . . . . 30 I CA . 16325 1 312 . 1 1 30 30 ILE CB C 13 38.080 0.40 . 1 . . . . 30 I CB . 16325 1 313 . 1 1 30 30 ILE CD1 C 13 13.000 0.40 . 1 . . . . 30 I CD1 . 16325 1 314 . 1 1 30 30 ILE CG1 C 13 27.400 0.40 . 1 . . . . 30 I CG1 . 16325 1 315 . 1 1 30 30 ILE CG2 C 13 17.400 0.40 . 1 . . . . 30 I CG2 . 16325 1 316 . 1 1 30 30 ILE N N 15 126.210 0.30 . 1 . . . . 30 I N . 16325 1 317 . 1 1 31 31 THR H H 1 8.790 0.02 . 1 . . . . 31 T HN . 16325 1 318 . 1 1 31 31 THR HA H 1 4.230 0.02 . 1 . . . . 31 T HA . 16325 1 319 . 1 1 31 31 THR HB H 1 4.590 0.02 . 1 . . . . 31 T HB . 16325 1 320 . 1 1 31 31 THR HG21 H 1 1.070 0.02 . 1 . . . . 31 T HG21 . 16325 1 321 . 1 1 31 31 THR HG22 H 1 1.070 0.02 . 1 . . . . 31 T HG21 . 16325 1 322 . 1 1 31 31 THR HG23 H 1 1.070 0.02 . 1 . . . . 31 T HG21 . 16325 1 323 . 1 1 31 31 THR C C 13 175.900 0.40 . 1 . . . . 31 T C . 16325 1 324 . 1 1 31 31 THR CA C 13 62.260 0.40 . 1 . . . . 31 T CA . 16325 1 325 . 1 1 31 31 THR CB C 13 69.320 0.40 . 1 . . . . 31 T CB . 16325 1 326 . 1 1 31 31 THR CG2 C 13 22.400 0.40 . 1 . . . . 31 T CG2 . 16325 1 327 . 1 1 31 31 THR N N 15 117.100 0.30 . 1 . . . . 31 T N . 16325 1 328 . 1 1 32 32 GLU H H 1 7.790 0.02 . 1 . . . . 32 E HN . 16325 1 329 . 1 1 32 32 GLU HA H 1 5.080 0.02 . 1 . . . . 32 E HA . 16325 1 330 . 1 1 32 32 GLU HB2 H 1 1.770 0.02 . 2 . . . . 32 E HB1 . 16325 1 331 . 1 1 32 32 GLU HB3 H 1 1.850 0.02 . 2 . . . . 32 E HB2 . 16325 1 332 . 1 1 32 32 GLU HG2 H 1 2.040 0.02 . 2 . . . . 32 E HG2 . 16325 1 333 . 1 1 32 32 GLU C C 13 174.700 0.40 . 1 . . . . 32 E C . 16325 1 334 . 1 1 32 32 GLU CA C 13 55.870 0.40 . 1 . . . . 32 E CA . 16325 1 335 . 1 1 32 32 GLU CB C 13 35.300 0.40 . 1 . . . . 32 E CB . 16325 1 336 . 1 1 32 32 GLU CG C 13 36.300 0.40 . 1 . . . . 32 E CG . 16325 1 337 . 1 1 32 32 GLU N N 15 120.420 0.30 . 1 . . . . 32 E N . 16325 1 338 . 1 1 33 33 ILE H H 1 8.770 0.02 . 1 . . . . 33 I HN . 16325 1 339 . 1 1 33 33 ILE HA H 1 5.220 0.02 . 1 . . . . 33 I HA . 16325 1 340 . 1 1 33 33 ILE HB H 1 1.740 0.02 . 1 . . . . 33 I HB . 16325 1 341 . 1 1 33 33 ILE HD11 H 1 0.870 0.02 . 1 . . . . 33 I HD11 . 16325 1 342 . 1 1 33 33 ILE HD12 H 1 0.870 0.02 . 1 . . . . 33 I HD11 . 16325 1 343 . 1 1 33 33 ILE HD13 H 1 0.870 0.02 . 1 . . . . 33 I HD11 . 16325 1 344 . 1 1 33 33 ILE HG12 H 1 0.930 0.02 . 2 . . . . 33 I HG12 . 16325 1 345 . 1 1 33 33 ILE HG21 H 1 0.930 0.02 . 1 . . . . 33 I HG21 . 16325 1 346 . 1 1 33 33 ILE HG22 H 1 0.930 0.02 . 1 . . . . 33 I HG21 . 16325 1 347 . 1 1 33 33 ILE HG23 H 1 0.930 0.02 . 1 . . . . 33 I HG21 . 16325 1 348 . 1 1 33 33 ILE C C 13 174.200 0.40 . 1 . . . . 33 I C . 16325 1 349 . 1 1 33 33 ILE CA C 13 59.380 0.40 . 1 . . . . 33 I CA . 16325 1 350 . 1 1 33 33 ILE CB C 13 41.120 0.40 . 1 . . . . 33 I CB . 16325 1 351 . 1 1 33 33 ILE CD1 C 13 14.800 0.40 . 1 . . . . 33 I CD1 . 16325 1 352 . 1 1 33 33 ILE CG1 C 13 28.700 0.40 . 1 . . . . 33 I CG1 . 16325 1 353 . 1 1 33 33 ILE CG2 C 13 16.800 0.40 . 1 . . . . 33 I CG2 . 16325 1 354 . 1 1 33 33 ILE N N 15 119.470 0.30 . 1 . . . . 33 I N . 16325 1 355 . 1 1 34 34 ASP H H 1 10.100 0.02 . 1 . . . . 34 D HN . 16325 1 356 . 1 1 34 34 ASP HA H 1 4.430 0.02 . 1 . . . . 34 D HA . 16325 1 357 . 1 1 34 34 ASP HB2 H 1 2.720 0.02 . 2 . . . . 34 D HB1 . 16325 1 358 . 1 1 34 34 ASP HB3 H 1 3.090 0.02 . 2 . . . . 34 D HB2 . 16325 1 359 . 1 1 34 34 ASP C C 13 176.200 0.40 . 1 . . . . 34 D C . 16325 1 360 . 1 1 34 34 ASP CA C 13 55.530 0.40 . 1 . . . . 34 D CA . 16325 1 361 . 1 1 34 34 ASP CB C 13 39.000 0.40 . 1 . . . . 34 D CB . 16325 1 362 . 1 1 34 34 ASP N N 15 128.840 0.30 . 1 . . . . 34 D N . 16325 1 363 . 1 1 35 35 GLY H H 1 8.860 0.02 . 1 . . . . 35 G HN . 16325 1 364 . 1 1 35 35 GLY HA2 H 1 3.630 0.02 . 2 . . . . 35 G HA1 . 16325 1 365 . 1 1 35 35 GLY HA3 H 1 3.970 0.02 . 2 . . . . 35 G HA2 . 16325 1 366 . 1 1 35 35 GLY C C 13 173.900 0.40 . 1 . . . . 35 G C . 16325 1 367 . 1 1 35 35 GLY CA C 13 45.580 0.40 . 1 . . . . 35 G CA . 16325 1 368 . 1 1 35 35 GLY N N 15 103.110 0.30 . 1 . . . . 35 G N . 16325 1 369 . 1 1 36 36 GLN H H 1 8.070 0.02 . 1 . . . . 36 Q HN . 16325 1 370 . 1 1 36 36 GLN HA H 1 4.240 0.02 . 1 . . . . 36 Q HA . 16325 1 371 . 1 1 36 36 GLN HB2 H 1 1.080 0.02 . 2 . . . . 36 Q HB1 . 16325 1 372 . 1 1 36 36 GLN HB3 H 1 1.480 0.02 . 2 . . . . 36 Q HB2 . 16325 1 373 . 1 1 36 36 GLN HG2 H 1 1.880 0.02 . 2 . . . . 36 Q HG2 . 16325 1 374 . 1 1 36 36 GLN C C 13 174.200 0.40 . 1 . . . . 36 Q C . 16325 1 375 . 1 1 36 36 GLN CA C 13 54.250 0.40 . 1 . . . . 36 Q CA . 16325 1 376 . 1 1 36 36 GLN CB C 13 30.870 0.40 . 1 . . . . 36 Q CB . 16325 1 377 . 1 1 36 36 GLN CG C 13 33.400 0.40 . 1 . . . . 36 Q CG . 16325 1 378 . 1 1 36 36 GLN N N 15 119.670 0.30 . 1 . . . . 36 Q N . 16325 1 379 . 1 1 37 37 SER H H 1 8.290 0.02 . 1 . . . . 37 S HN . 16325 1 380 . 1 1 37 37 SER HA H 1 3.750 0.02 . 1 . . . . 37 S HA . 16325 1 381 . 1 1 37 37 SER HB2 H 1 4.650 0.02 . 2 . . . . 37 S HB2 . 16325 1 382 . 1 1 37 37 SER C C 13 173.500 0.40 . 1 . . . . 37 S C . 16325 1 383 . 1 1 37 37 SER CA C 13 56.280 0.40 . 1 . . . . 37 S CA . 16325 1 384 . 1 1 37 37 SER CB C 13 63.630 0.40 . 1 . . . . 37 S CB . 16325 1 385 . 1 1 37 37 SER N N 15 118.770 0.30 . 1 . . . . 37 S N . 16325 1 386 . 1 1 38 38 PHE H H 1 6.960 0.02 . 1 . . . . 38 F HN . 16325 1 387 . 1 1 38 38 PHE HA H 1 3.090 0.02 . 1 . . . . 38 F HA . 16325 1 388 . 1 1 38 38 PHE HB2 H 1 2.150 0.02 . 2 . . . . 38 F HB2 . 16325 1 389 . 1 1 38 38 PHE HD1 H 1 6.670 0.02 . 3 . . . . 38 F HD1 . 16325 1 390 . 1 1 38 38 PHE HE1 H 1 6.830 0.02 . 3 . . . . 38 F HE1 . 16325 1 391 . 1 1 38 38 PHE C C 13 175.600 0.40 . 1 . . . . 38 F C . 16325 1 392 . 1 1 38 38 PHE CA C 13 56.590 0.40 . 1 . . . . 38 F CA . 16325 1 393 . 1 1 38 38 PHE CB C 13 40.910 0.40 . 1 . . . . 38 F CB . 16325 1 394 . 1 1 38 38 PHE CD1 C 13 131.400 0.40 . 2 . . . . 38 F CD1 . 16325 1 395 . 1 1 38 38 PHE CE1 C 13 131.200 0.40 . 2 . . . . 38 F CE1 . 16325 1 396 . 1 1 38 38 PHE N N 15 120.740 0.30 . 1 . . . . 38 F N . 16325 1 397 . 1 1 39 39 LYS H H 1 8.740 0.02 . 1 . . . . 39 K HN . 16325 1 398 . 1 1 39 39 LYS HA H 1 4.160 0.02 . 1 . . . . 39 K HA . 16325 1 399 . 1 1 39 39 LYS HB2 H 1 1.680 0.02 . 2 . . . . 39 K HB2 . 16325 1 400 . 1 1 39 39 LYS HE2 H 1 2.980 0.02 . 2 . . . . 39 K HE2 . 16325 1 401 . 1 1 39 39 LYS HG2 H 1 1.360 0.02 . 2 . . . . 39 K HG2 . 16325 1 402 . 1 1 39 39 LYS C C 13 175.500 0.40 . 1 . . . . 39 K C . 16325 1 403 . 1 1 39 39 LYS CA C 13 56.500 0.40 . 1 . . . . 39 K CA . 16325 1 404 . 1 1 39 39 LYS CB C 13 33.210 0.40 . 1 . . . . 39 K CB . 16325 1 405 . 1 1 39 39 LYS CD C 13 28.800 0.40 . 1 . . . . 39 K CD . 16325 1 406 . 1 1 39 39 LYS CE C 13 42.400 0.40 . 1 . . . . 39 K CE . 16325 1 407 . 1 1 39 39 LYS CG C 13 24.800 0.40 . 1 . . . . 39 K CG . 16325 1 408 . 1 1 39 39 LYS N N 15 118.100 0.30 . 1 . . . . 39 K N . 16325 1 409 . 1 1 40 40 SER H H 1 7.480 0.02 . 1 . . . . 40 S HN . 16325 1 410 . 1 1 40 40 SER HA H 1 3.830 0.02 . 1 . . . . 40 S HA . 16325 1 411 . 1 1 40 40 SER HB2 H 1 4.240 0.02 . 2 . . . . 40 S HB2 . 16325 1 412 . 1 1 40 40 SER C C 13 174.800 0.40 . 1 . . . . 40 S C . 16325 1 413 . 1 1 40 40 SER CA C 13 56.380 0.40 . 1 . . . . 40 S CA . 16325 1 414 . 1 1 40 40 SER CB C 13 66.790 0.40 . 1 . . . . 40 S CB . 16325 1 415 . 1 1 40 40 SER N N 15 111.180 0.30 . 1 . . . . 40 S N . 16325 1 416 . 1 1 41 41 SER H H 1 10.310 0.02 . 1 . . . . 41 S HN . 16325 1 417 . 1 1 41 41 SER HA H 1 3.780 0.02 . 1 . . . . 41 S HA . 16325 1 418 . 1 1 41 41 SER HB2 H 1 4.000 0.02 . 2 . . . . 41 S HB2 . 16325 1 419 . 1 1 41 41 SER C C 13 176.300 0.40 . 1 . . . . 41 S C . 16325 1 420 . 1 1 41 41 SER CA C 13 62.530 0.40 . 1 . . . . 41 S CA . 16325 1 421 . 1 1 41 41 SER CB C 13 66.770 0.40 . 1 . . . . 41 S CB . 16325 1 422 . 1 1 41 41 SER N N 15 121.470 0.30 . 1 . . . . 41 S N . 16325 1 423 . 1 1 42 42 GLN H H 1 8.510 0.02 . 1 . . . . 42 Q HN . 16325 1 424 . 1 1 42 42 GLN HA H 1 3.830 0.02 . 1 . . . . 42 Q HA . 16325 1 425 . 1 1 42 42 GLN HG2 H 1 2.360 0.02 . 2 . . . . 42 Q HG2 . 16325 1 426 . 1 1 42 42 GLN C C 13 177.300 0.40 . 1 . . . . 42 Q C . 16325 1 427 . 1 1 42 42 GLN CA C 13 58.480 0.40 . 1 . . . . 42 Q CA . 16325 1 428 . 1 1 42 42 GLN CB C 13 28.450 0.40 . 1 . . . . 42 Q CB . 16325 1 429 . 1 1 42 42 GLN CG C 13 33.600 0.40 . 1 . . . . 42 Q CG . 16325 1 430 . 1 1 42 42 GLN N N 15 121.500 0.30 . 1 . . . . 42 Q N . 16325 1 431 . 1 1 43 43 GLU H H 1 7.470 0.02 . 1 . . . . 43 E HN . 16325 1 432 . 1 1 43 43 GLU HA H 1 3.840 0.02 . 1 . . . . 43 E HA . 16325 1 433 . 1 1 43 43 GLU HG2 H 1 2.240 0.02 . 2 . . . . 43 E HG2 . 16325 1 434 . 1 1 43 43 GLU C C 13 179.200 0.40 . 1 . . . . 43 E C . 16325 1 435 . 1 1 43 43 GLU CA C 13 59.110 0.40 . 1 . . . . 43 E CA . 16325 1 436 . 1 1 43 43 GLU CB C 13 29.990 0.40 . 1 . . . . 43 E CB . 16325 1 437 . 1 1 43 43 GLU CG C 13 37.000 0.40 . 1 . . . . 43 E CG . 16325 1 438 . 1 1 43 43 GLU N N 15 116.740 0.30 . 1 . . . . 43 E N . 16325 1 439 . 1 1 44 44 PHE H H 1 7.320 0.02 . 1 . . . . 44 F HN . 16325 1 440 . 1 1 44 44 PHE HA H 1 3.630 0.02 . 1 . . . . 44 F HA . 16325 1 441 . 1 1 44 44 PHE HB2 H 1 2.920 0.02 . 2 . . . . 44 F HB2 . 16325 1 442 . 1 1 44 44 PHE HD1 H 1 7.140 0.02 . 3 . . . . 44 F HD1 . 16325 1 443 . 1 1 44 44 PHE HZ H 1 7.080 0.02 . 1 . . . . 44 F HZ . 16325 1 444 . 1 1 44 44 PHE C C 13 176.800 0.40 . 1 . . . . 44 F C . 16325 1 445 . 1 1 44 44 PHE CA C 13 62.270 0.40 . 1 . . . . 44 F CA . 16325 1 446 . 1 1 44 44 PHE CB C 13 39.920 0.40 . 1 . . . . 44 F CB . 16325 1 447 . 1 1 44 44 PHE CD1 C 13 132.300 0.40 . 2 . . . . 44 F CD1 . 16325 1 448 . 1 1 44 44 PHE CZ C 13 129.400 0.40 . 1 . . . . 44 F CZ . 16325 1 449 . 1 1 44 44 PHE N N 15 118.660 0.30 . 1 . . . . 44 F N . 16325 1 450 . 1 1 45 45 ILE H H 1 8.120 0.02 . 1 . . . . 45 I HN . 16325 1 451 . 1 1 45 45 ILE HA H 1 3.390 0.02 . 1 . . . . 45 I HA . 16325 1 452 . 1 1 45 45 ILE HB H 1 1.740 0.02 . 1 . . . . 45 I HB . 16325 1 453 . 1 1 45 45 ILE HD11 H 1 0.780 0.02 . 1 . . . . 45 I HD11 . 16325 1 454 . 1 1 45 45 ILE HD12 H 1 0.780 0.02 . 1 . . . . 45 I HD11 . 16325 1 455 . 1 1 45 45 ILE HD13 H 1 0.780 0.02 . 1 . . . . 45 I HD11 . 16325 1 456 . 1 1 45 45 ILE HG12 H 1 1.210 0.02 . 2 . . . . 45 I HG11 . 16325 1 457 . 1 1 45 45 ILE HG13 H 1 1.550 0.02 . 2 . . . . 45 I HG12 . 16325 1 458 . 1 1 45 45 ILE HG21 H 1 0.580 0.02 . 1 . . . . 45 I HG21 . 16325 1 459 . 1 1 45 45 ILE HG22 H 1 0.580 0.02 . 1 . . . . 45 I HG21 . 16325 1 460 . 1 1 45 45 ILE HG23 H 1 0.580 0.02 . 1 . . . . 45 I HG21 . 16325 1 461 . 1 1 45 45 ILE C C 13 177.600 0.40 . 1 . . . . 45 I C . 16325 1 462 . 1 1 45 45 ILE CA C 13 64.000 0.40 . 1 . . . . 45 I CA . 16325 1 463 . 1 1 45 45 ILE CB C 13 37.440 0.40 . 1 . . . . 45 I CB . 16325 1 464 . 1 1 45 45 ILE CD1 C 13 12.400 0.40 . 1 . . . . 45 I CD1 . 16325 1 465 . 1 1 45 45 ILE CG1 C 13 28.700 0.40 . 1 . . . . 45 I CG1 . 16325 1 466 . 1 1 45 45 ILE CG2 C 13 17.800 0.40 . 1 . . . . 45 I CG2 . 16325 1 467 . 1 1 45 45 ILE N N 15 119.470 0.30 . 1 . . . . 45 I N . 16325 1 468 . 1 1 46 46 ASP H H 1 8.590 0.02 . 1 . . . . 46 D HN . 16325 1 469 . 1 1 46 46 ASP HA H 1 4.180 0.02 . 1 . . . . 46 D HA . 16325 1 470 . 1 1 46 46 ASP HB2 H 1 2.600 0.02 . 2 . . . . 46 D HB2 . 16325 1 471 . 1 1 46 46 ASP C C 13 178.900 0.40 . 1 . . . . 46 D C . 16325 1 472 . 1 1 46 46 ASP CA C 13 57.000 0.40 . 1 . . . . 46 D CA . 16325 1 473 . 1 1 46 46 ASP CB C 13 39.350 0.40 . 1 . . . . 46 D CB . 16325 1 474 . 1 1 46 46 ASP N N 15 119.870 0.30 . 1 . . . . 46 D N . 16325 1 475 . 1 1 47 47 TYR H H 1 7.530 0.02 . 1 . . . . 47 Y HN . 16325 1 476 . 1 1 47 47 TYR HA H 1 4.090 0.02 . 1 . . . . 47 Y HA . 16325 1 477 . 1 1 47 47 TYR HB2 H 1 2.860 0.02 . 2 . . . . 47 Y HB2 . 16325 1 478 . 1 1 47 47 TYR HD1 H 1 7.000 0.02 . 3 . . . . 47 Y HD1 . 16325 1 479 . 1 1 47 47 TYR HE1 H 1 6.780 0.02 . 3 . . . . 47 Y HE1 . 16325 1 480 . 1 1 47 47 TYR C C 13 179.500 0.40 . 1 . . . . 47 Y C . 16325 1 481 . 1 1 47 47 TYR CA C 13 61.960 0.40 . 1 . . . . 47 Y CA . 16325 1 482 . 1 1 47 47 TYR CB C 13 38.350 0.40 . 1 . . . . 47 Y CB . 16325 1 483 . 1 1 47 47 TYR CD1 C 13 133.300 0.40 . 2 . . . . 47 Y CD1 . 16325 1 484 . 1 1 47 47 TYR CE1 C 13 117.900 0.40 . 2 . . . . 47 Y CE1 . 16325 1 485 . 1 1 47 47 TYR N N 15 120.170 0.30 . 1 . . . . 47 Y N . 16325 1 486 . 1 1 48 48 ILE H H 1 8.020 0.02 . 1 . . . . 48 I HN . 16325 1 487 . 1 1 48 48 ILE HA H 1 3.200 0.02 . 1 . . . . 48 I HA . 16325 1 488 . 1 1 48 48 ILE HB H 1 1.950 0.02 . 1 . . . . 48 I HB . 16325 1 489 . 1 1 48 48 ILE HD11 H 1 0.670 0.02 . 1 . . . . 48 I HD11 . 16325 1 490 . 1 1 48 48 ILE HD12 H 1 0.670 0.02 . 1 . . . . 48 I HD11 . 16325 1 491 . 1 1 48 48 ILE HD13 H 1 0.670 0.02 . 1 . . . . 48 I HD11 . 16325 1 492 . 1 1 48 48 ILE HG12 H 1 1.000 0.02 . 2 . . . . 48 I HG11 . 16325 1 493 . 1 1 48 48 ILE HG13 H 1 1.680 0.02 . 2 . . . . 48 I HG12 . 16325 1 494 . 1 1 48 48 ILE HG21 H 1 0.920 0.02 . 1 . . . . 48 I HG21 . 16325 1 495 . 1 1 48 48 ILE HG22 H 1 0.920 0.02 . 1 . . . . 48 I HG21 . 16325 1 496 . 1 1 48 48 ILE HG23 H 1 0.920 0.02 . 1 . . . . 48 I HG21 . 16325 1 497 . 1 1 48 48 ILE C C 13 177.000 0.40 . 1 . . . . 48 I C . 16325 1 498 . 1 1 48 48 ILE CA C 13 65.450 0.40 . 1 . . . . 48 I CA . 16325 1 499 . 1 1 48 48 ILE CB C 13 36.770 0.40 . 1 . . . . 48 I CB . 16325 1 500 . 1 1 48 48 ILE CD1 C 13 11.900 0.40 . 1 . . . . 48 I CD1 . 16325 1 501 . 1 1 48 48 ILE CG1 C 13 29.300 0.40 . 1 . . . . 48 I CG1 . 16325 1 502 . 1 1 48 48 ILE CG2 C 13 18.600 0.40 . 1 . . . . 48 I CG2 . 16325 1 503 . 1 1 48 48 ILE N N 15 122.120 0.30 . 1 . . . . 48 I N . 16325 1 504 . 1 1 49 49 HIS H H 1 8.250 0.02 . 1 . . . . 49 H HN . 16325 1 505 . 1 1 49 49 HIS HA H 1 4.490 0.02 . 1 . . . . 49 H HA . 16325 1 506 . 1 1 49 49 HIS HB2 H 1 3.310 0.02 . 2 . . . . 49 H HB2 . 16325 1 507 . 1 1 49 49 HIS C C 13 174.300 0.40 . 1 . . . . 49 H C . 16325 1 508 . 1 1 49 49 HIS CA C 13 55.550 0.40 . 1 . . . . 49 H CA . 16325 1 509 . 1 1 49 49 HIS CB C 13 28.650 0.40 . 1 . . . . 49 H CB . 16325 1 510 . 1 1 49 49 HIS N N 15 112.280 0.30 . 1 . . . . 49 H N . 16325 1 511 . 1 1 50 50 SER H H 1 7.700 0.02 . 1 . . . . 50 S HN . 16325 1 512 . 1 1 50 50 SER HA H 1 3.970 0.02 . 1 . . . . 50 S HA . 16325 1 513 . 1 1 50 50 SER HB2 H 1 4.490 0.02 . 2 . . . . 50 S HB2 . 16325 1 514 . 1 1 50 50 SER C C 13 174.300 0.40 . 1 . . . . 50 S C . 16325 1 515 . 1 1 50 50 SER CA C 13 59.300 0.40 . 1 . . . . 50 S CA . 16325 1 516 . 1 1 50 50 SER CB C 13 63.840 0.40 . 1 . . . . 50 S CB . 16325 1 517 . 1 1 50 50 SER N N 15 115.110 0.30 . 1 . . . . 50 S N . 16325 1 518 . 1 1 51 51 LYS H H 1 7.060 0.02 . 1 . . . . 51 K HN . 16325 1 519 . 1 1 51 51 LYS HA H 1 4.320 0.02 . 1 . . . . 51 K HA . 16325 1 520 . 1 1 51 51 LYS HB2 H 1 2.100 0.02 . 2 . . . . 51 K HB1 . 16325 1 521 . 1 1 51 51 LYS HB3 H 1 1.770 0.02 . 2 . . . . 51 K HB2 . 16325 1 522 . 1 1 51 51 LYS HD2 H 1 1.390 0.02 . 2 . . . . 51 K HD1 . 16325 1 523 . 1 1 51 51 LYS HD3 H 1 1.270 0.02 . 2 . . . . 51 K HD2 . 16325 1 524 . 1 1 51 51 LYS HE2 H 1 2.570 0.02 . 2 . . . . 51 K HE2 . 16325 1 525 . 1 1 51 51 LYS HG2 H 1 1.250 0.02 . 2 . . . . 51 K HG1 . 16325 1 526 . 1 1 51 51 LYS HG3 H 1 0.950 0.02 . 2 . . . . 51 K HG2 . 16325 1 527 . 1 1 51 51 LYS C C 13 173.100 0.40 . 1 . . . . 51 K C . 16325 1 528 . 1 1 51 51 LYS CA C 13 53.730 0.40 . 1 . . . . 51 K CA . 16325 1 529 . 1 1 51 51 LYS CB C 13 31.350 0.40 . 1 . . . . 51 K CB . 16325 1 530 . 1 1 51 51 LYS CD C 13 26.900 0.40 . 1 . . . . 51 K CD . 16325 1 531 . 1 1 51 51 LYS CE C 13 42.400 0.40 . 1 . . . . 51 K CE . 16325 1 532 . 1 1 51 51 LYS CG C 13 23.900 0.40 . 1 . . . . 51 K CG . 16325 1 533 . 1 1 51 51 LYS N N 15 123.340 0.30 . 1 . . . . 51 K N . 16325 1 534 . 1 1 52 52 LYS H H 1 8.250 0.02 . 1 . . . . 52 K HN . 16325 1 535 . 1 1 52 52 LYS HA H 1 4.610 0.02 . 1 . . . . 52 K HA . 16325 1 536 . 1 1 52 52 LYS HB2 H 1 1.680 0.02 . 2 . . . . 52 K HB1 . 16325 1 537 . 1 1 52 52 LYS HB3 H 1 1.620 0.02 . 2 . . . . 52 K HB2 . 16325 1 538 . 1 1 52 52 LYS HE2 H 1 3.000 0.02 . 2 . . . . 52 K HE2 . 16325 1 539 . 1 1 52 52 LYS HG2 H 1 1.370 0.02 . 2 . . . . 52 K HG2 . 16325 1 540 . 1 1 52 52 LYS C C 13 177.000 0.40 . 1 . . . . 52 K C . 16325 1 541 . 1 1 52 52 LYS CA C 13 54.060 0.40 . 1 . . . . 52 K CA . 16325 1 542 . 1 1 52 52 LYS CB C 13 34.900 0.40 . 1 . . . . 52 K CB . 16325 1 543 . 1 1 52 52 LYS CD C 13 28.800 0.40 . 1 . . . . 52 K CD . 16325 1 544 . 1 1 52 52 LYS CE C 13 42.400 0.40 . 1 . . . . 52 K CE . 16325 1 545 . 1 1 52 52 LYS CG C 13 24.500 0.40 . 1 . . . . 52 K CG . 16325 1 546 . 1 1 52 52 LYS N N 15 115.990 0.30 . 1 . . . . 52 K N . 16325 1 547 . 1 1 53 53 VAL H H 1 8.520 0.02 . 1 . . . . 53 V HN . 16325 1 548 . 1 1 53 53 VAL HA H 1 3.050 0.02 . 1 . . . . 53 V HA . 16325 1 549 . 1 1 53 53 VAL HB H 1 1.860 0.02 . 1 . . . . 53 V HB . 16325 1 550 . 1 1 53 53 VAL HG11 H 1 0.910 0.02 . 2 . . . . 53 V HG11 . 16325 1 551 . 1 1 53 53 VAL HG12 H 1 0.910 0.02 . 2 . . . . 53 V HG11 . 16325 1 552 . 1 1 53 53 VAL HG13 H 1 0.910 0.02 . 2 . . . . 53 V HG11 . 16325 1 553 . 1 1 53 53 VAL HG21 H 1 0.830 0.02 . 2 . . . . 53 V HG21 . 16325 1 554 . 1 1 53 53 VAL HG22 H 1 0.830 0.02 . 2 . . . . 53 V HG21 . 16325 1 555 . 1 1 53 53 VAL HG23 H 1 0.830 0.02 . 2 . . . . 53 V HG21 . 16325 1 556 . 1 1 53 53 VAL C C 13 177.200 0.40 . 1 . . . . 53 V C . 16325 1 557 . 1 1 53 53 VAL CA C 13 66.270 0.40 . 1 . . . . 53 V CA . 16325 1 558 . 1 1 53 53 VAL CB C 13 31.290 0.40 . 1 . . . . 53 V CB . 16325 1 559 . 1 1 53 53 VAL CG1 C 13 21.600 0.40 . 2 . . . . 53 V CG1 . 16325 1 560 . 1 1 53 53 VAL CG2 C 13 22.700 0.40 . 2 . . . . 53 V CG2 . 16325 1 561 . 1 1 53 53 VAL N N 15 120.780 0.30 . 1 . . . . 53 V N . 16325 1 562 . 1 1 54 54 GLY H H 1 8.310 0.02 . 1 . . . . 54 G HN . 16325 1 563 . 1 1 54 54 GLY HA2 H 1 3.520 0.02 . 2 . . . . 54 G HA1 . 16325 1 564 . 1 1 54 54 GLY HA3 H 1 4.520 0.02 . 2 . . . . 54 G HA2 . 16325 1 565 . 1 1 54 54 GLY C C 13 174.500 0.40 . 1 . . . . 54 G C . 16325 1 566 . 1 1 54 54 GLY CA C 13 45.010 0.40 . 1 . . . . 54 G CA . 16325 1 567 . 1 1 54 54 GLY N N 15 116.140 0.30 . 1 . . . . 54 G N . 16325 1 568 . 1 1 55 55 ASP H H 1 8.110 0.02 . 1 . . . . 55 D HN . 16325 1 569 . 1 1 55 55 ASP HA H 1 4.710 0.02 . 1 . . . . 55 D HA . 16325 1 570 . 1 1 55 55 ASP HB2 H 1 2.600 0.02 . 2 . . . . 55 D HB1 . 16325 1 571 . 1 1 55 55 ASP HB3 H 1 3.000 0.02 . 2 . . . . 55 D HB2 . 16325 1 572 . 1 1 55 55 ASP C C 13 175.000 0.40 . 1 . . . . 55 D C . 16325 1 573 . 1 1 55 55 ASP CA C 13 54.950 0.40 . 1 . . . . 55 D CA . 16325 1 574 . 1 1 55 55 ASP CB C 13 41.300 0.40 . 1 . . . . 55 D CB . 16325 1 575 . 1 1 55 55 ASP N N 15 121.670 0.30 . 1 . . . . 55 D N . 16325 1 576 . 1 1 56 56 THR H H 1 8.670 0.02 . 1 . . . . 56 T HN . 16325 1 577 . 1 1 56 56 THR HA H 1 3.920 0.02 . 1 . . . . 56 T HA . 16325 1 578 . 1 1 56 56 THR HB H 1 4.970 0.02 . 1 . . . . 56 T HB . 16325 1 579 . 1 1 56 56 THR HG21 H 1 1.020 0.02 . 1 . . . . 56 T HG21 . 16325 1 580 . 1 1 56 56 THR HG22 H 1 1.020 0.02 . 1 . . . . 56 T HG21 . 16325 1 581 . 1 1 56 56 THR HG23 H 1 1.020 0.02 . 1 . . . . 56 T HG21 . 16325 1 582 . 1 1 56 56 THR C C 13 175.200 0.40 . 1 . . . . 56 T C . 16325 1 583 . 1 1 56 56 THR CA C 13 62.350 0.40 . 1 . . . . 56 T CA . 16325 1 584 . 1 1 56 56 THR CB C 13 70.380 0.40 . 1 . . . . 56 T CB . 16325 1 585 . 1 1 56 56 THR CG2 C 13 22.100 0.40 . 1 . . . . 56 T CG2 . 16325 1 586 . 1 1 56 56 THR N N 15 115.670 0.30 . 1 . . . . 56 T N . 16325 1 587 . 1 1 57 57 VAL H H 1 8.990 0.02 . 1 . . . . 57 V HN . 16325 1 588 . 1 1 57 57 VAL HA H 1 5.190 0.02 . 1 . . . . 57 V HA . 16325 1 589 . 1 1 57 57 VAL HB H 1 2.050 0.02 . 1 . . . . 57 V HB . 16325 1 590 . 1 1 57 57 VAL HG11 H 1 0.890 0.02 . 2 . . . . 57 V HG11 . 16325 1 591 . 1 1 57 57 VAL HG12 H 1 0.890 0.02 . 2 . . . . 57 V HG11 . 16325 1 592 . 1 1 57 57 VAL HG13 H 1 0.890 0.02 . 2 . . . . 57 V HG11 . 16325 1 593 . 1 1 57 57 VAL HG21 H 1 1.010 0.02 . 2 . . . . 57 V HG21 . 16325 1 594 . 1 1 57 57 VAL HG22 H 1 1.010 0.02 . 2 . . . . 57 V HG21 . 16325 1 595 . 1 1 57 57 VAL HG23 H 1 1.010 0.02 . 2 . . . . 57 V HG21 . 16325 1 596 . 1 1 57 57 VAL C C 13 173.900 0.40 . 1 . . . . 57 V C . 16325 1 597 . 1 1 57 57 VAL CA C 13 58.570 0.40 . 1 . . . . 57 V CA . 16325 1 598 . 1 1 57 57 VAL CB C 13 34.480 0.40 . 1 . . . . 57 V CB . 16325 1 599 . 1 1 57 57 VAL CG1 C 13 18.600 0.40 . 2 . . . . 57 V CG1 . 16325 1 600 . 1 1 57 57 VAL CG2 C 13 22.000 0.40 . 2 . . . . 57 V CG2 . 16325 1 601 . 1 1 57 57 VAL N N 15 119.230 0.30 . 1 . . . . 57 V N . 16325 1 602 . 1 1 58 58 LYS H H 1 9.000 0.02 . 1 . . . . 58 K HN . 16325 1 603 . 1 1 58 58 LYS HA H 1 5.170 0.02 . 1 . . . . 58 K HA . 16325 1 604 . 1 1 58 58 LYS HB2 H 1 1.730 0.02 . 2 . . . . 58 K HB1 . 16325 1 605 . 1 1 58 58 LYS HB3 H 1 1.870 0.02 . 2 . . . . 58 K HB2 . 16325 1 606 . 1 1 58 58 LYS HE2 H 1 2.870 0.02 . 2 . . . . 58 K HE2 . 16325 1 607 . 1 1 58 58 LYS HG2 H 1 1.350 0.02 . 2 . . . . 58 K HG2 . 16325 1 608 . 1 1 58 58 LYS C C 13 176.400 0.40 . 1 . . . . 58 K C . 16325 1 609 . 1 1 58 58 LYS CA C 13 54.990 0.40 . 1 . . . . 58 K CA . 16325 1 610 . 1 1 58 58 LYS CB C 13 33.510 0.40 . 1 . . . . 58 K CB . 16325 1 611 . 1 1 58 58 LYS CD C 13 29.100 0.40 . 1 . . . . 58 K CD . 16325 1 612 . 1 1 58 58 LYS CE C 13 42.200 0.40 . 1 . . . . 58 K CE . 16325 1 613 . 1 1 58 58 LYS CG C 13 24.900 0.40 . 1 . . . . 58 K CG . 16325 1 614 . 1 1 58 58 LYS N N 15 123.700 0.30 . 1 . . . . 58 K N . 16325 1 615 . 1 1 59 59 ILE H H 1 9.460 0.02 . 1 . . . . 59 I HN . 16325 1 616 . 1 1 59 59 ILE HA H 1 5.100 0.02 . 1 . . . . 59 I HA . 16325 1 617 . 1 1 59 59 ILE HB H 1 1.800 0.02 . 1 . . . . 59 I HB . 16325 1 618 . 1 1 59 59 ILE HD11 H 1 0.710 0.02 . 1 . . . . 59 I HD11 . 16325 1 619 . 1 1 59 59 ILE HD12 H 1 0.710 0.02 . 1 . . . . 59 I HD11 . 16325 1 620 . 1 1 59 59 ILE HD13 H 1 0.710 0.02 . 1 . . . . 59 I HD11 . 16325 1 621 . 1 1 59 59 ILE HG12 H 1 1.700 0.02 . 2 . . . . 59 I HG11 . 16325 1 622 . 1 1 59 59 ILE HG13 H 1 1.070 0.02 . 2 . . . . 59 I HG12 . 16325 1 623 . 1 1 59 59 ILE HG21 H 1 0.970 0.02 . 1 . . . . 59 I HG21 . 16325 1 624 . 1 1 59 59 ILE HG22 H 1 0.970 0.02 . 1 . . . . 59 I HG21 . 16325 1 625 . 1 1 59 59 ILE HG23 H 1 0.970 0.02 . 1 . . . . 59 I HG21 . 16325 1 626 . 1 1 59 59 ILE C C 13 175.100 0.40 . 1 . . . . 59 I C . 16325 1 627 . 1 1 59 59 ILE CA C 13 59.940 0.40 . 1 . . . . 59 I CA . 16325 1 628 . 1 1 59 59 ILE CB C 13 41.740 0.40 . 1 . . . . 59 I CB . 16325 1 629 . 1 1 59 59 ILE CD1 C 13 14.300 0.40 . 1 . . . . 59 I CD1 . 16325 1 630 . 1 1 59 59 ILE CG1 C 13 27.600 0.40 . 1 . . . . 59 I CG1 . 16325 1 631 . 1 1 59 59 ILE CG2 C 13 18.100 0.40 . 1 . . . . 59 I CG2 . 16325 1 632 . 1 1 59 59 ILE N N 15 125.190 0.30 . 1 . . . . 59 I N . 16325 1 633 . 1 1 60 60 LYS H H 1 8.780 0.02 . 1 . . . . 60 K HN . 16325 1 634 . 1 1 60 60 LYS HA H 1 5.210 0.02 . 1 . . . . 60 K HA . 16325 1 635 . 1 1 60 60 LYS HB2 H 1 1.900 0.02 . 2 . . . . 60 K HB2 . 16325 1 636 . 1 1 60 60 LYS HE2 H 1 2.820 0.02 . 2 . . . . 60 K HE2 . 16325 1 637 . 1 1 60 60 LYS HG2 H 1 1.440 0.02 . 2 . . . . 60 K HG1 . 16325 1 638 . 1 1 60 60 LYS HG3 H 1 1.240 0.02 . 2 . . . . 60 K HG2 . 16325 1 639 . 1 1 60 60 LYS C C 13 175.000 0.40 . 1 . . . . 60 K C . 16325 1 640 . 1 1 60 60 LYS CA C 13 55.910 0.40 . 1 . . . . 60 K CA . 16325 1 641 . 1 1 60 60 LYS CB C 13 34.340 0.40 . 1 . . . . 60 K CB . 16325 1 642 . 1 1 60 60 LYS CD C 13 29.400 0.40 . 1 . . . . 60 K CD . 16325 1 643 . 1 1 60 60 LYS CE C 13 42.400 0.40 . 1 . . . . 60 K CE . 16325 1 644 . 1 1 60 60 LYS CG C 13 25.700 0.40 . 1 . . . . 60 K CG . 16325 1 645 . 1 1 60 60 LYS N N 15 126.140 0.30 . 1 . . . . 60 K N . 16325 1 646 . 1 1 61 61 TYR H H 1 8.660 0.02 . 1 . . . . 61 Y HN . 16325 1 647 . 1 1 61 61 TYR HA H 1 5.680 0.02 . 1 . . . . 61 Y HA . 16325 1 648 . 1 1 61 61 TYR HB2 H 1 2.770 0.02 . 2 . . . . 61 Y HB2 . 16325 1 649 . 1 1 61 61 TYR HD1 H 1 6.650 0.02 . 3 . . . . 61 Y HD1 . 16325 1 650 . 1 1 61 61 TYR HE1 H 1 6.430 0.02 . 3 . . . . 61 Y HE1 . 16325 1 651 . 1 1 61 61 TYR CA C 13 55.090 0.40 . 1 . . . . 61 Y CA . 16325 1 652 . 1 1 61 61 TYR CB C 13 41.640 0.40 . 1 . . . . 61 Y CB . 16325 1 653 . 1 1 61 61 TYR CD1 C 13 133.500 0.40 . 2 . . . . 61 Y CD1 . 16325 1 654 . 1 1 61 61 TYR CE1 C 13 118.300 0.40 . 2 . . . . 61 Y CE1 . 16325 1 655 . 1 1 61 61 TYR N N 15 120.100 0.30 . 1 . . . . 61 Y N . 16325 1 656 . 1 1 62 62 LYS H H 1 9.590 0.02 . 1 . . . . 62 K HN . 16325 1 657 . 1 1 62 62 LYS C C 13 172.100 0.40 . 1 . . . . 62 K C . 16325 1 658 . 1 1 62 62 LYS CA C 13 54.820 0.40 . 1 . . . . 62 K CA . 16325 1 659 . 1 1 62 62 LYS CB C 13 35.540 0.40 . 1 . . . . 62 K CB . 16325 1 660 . 1 1 62 62 LYS N N 15 120.730 0.30 . 1 . . . . 62 K N . 16325 1 661 . 1 1 63 63 HIS H H 1 8.570 0.02 . 1 . . . . 63 H HN . 16325 1 662 . 1 1 63 63 HIS HA H 1 5.240 0.02 . 1 . . . . 63 H HA . 16325 1 663 . 1 1 63 63 HIS HB2 H 1 2.990 0.02 . 2 . . . . 63 H HB1 . 16325 1 664 . 1 1 63 63 HIS HB3 H 1 3.320 0.02 . 2 . . . . 63 H HB2 . 16325 1 665 . 1 1 63 63 HIS C C 13 175.200 0.40 . 1 . . . . 63 H C . 16325 1 666 . 1 1 63 63 HIS CA C 13 54.100 0.40 . 1 . . . . 63 H CA . 16325 1 667 . 1 1 63 63 HIS CB C 13 30.300 0.40 . 1 . . . . 63 H CB . 16325 1 668 . 1 1 63 63 HIS N N 15 123.800 0.30 . 1 . . . . 63 H N . 16325 1 669 . 1 1 64 64 GLY H H 1 9.080 0.02 . 1 . . . . 64 G HN . 16325 1 670 . 1 1 64 64 GLY HA2 H 1 3.730 0.02 . 2 . . . . 64 G HA2 . 16325 1 671 . 1 1 64 64 GLY C C 13 174.200 0.40 . 1 . . . . 64 G C . 16325 1 672 . 1 1 64 64 GLY CA C 13 47.090 0.40 . 1 . . . . 64 G CA . 16325 1 673 . 1 1 64 64 GLY N N 15 119.110 0.30 . 1 . . . . 64 G N . 16325 1 674 . 1 1 65 65 ASN H H 1 8.770 0.02 . 1 . . . . 65 N HN . 16325 1 675 . 1 1 65 65 ASN HA H 1 4.650 0.02 . 1 . . . . 65 N HA . 16325 1 676 . 1 1 65 65 ASN HB2 H 1 2.850 0.02 . 2 . . . . 65 N HB2 . 16325 1 677 . 1 1 65 65 ASN C C 13 174.600 0.40 . 1 . . . . 65 N C . 16325 1 678 . 1 1 65 65 ASN CA C 13 53.080 0.40 . 1 . . . . 65 N CA . 16325 1 679 . 1 1 65 65 ASN CB C 13 38.700 0.40 . 1 . . . . 65 N CB . 16325 1 680 . 1 1 65 65 ASN N N 15 122.390 0.30 . 1 . . . . 65 N N . 16325 1 681 . 1 1 66 66 LYS H H 1 7.830 0.02 . 1 . . . . 66 K HN . 16325 1 682 . 1 1 66 66 LYS HA H 1 4.470 0.02 . 1 . . . . 66 K HA . 16325 1 683 . 1 1 66 66 LYS HB2 H 1 1.880 0.02 . 2 . . . . 66 K HB2 . 16325 1 684 . 1 1 66 66 LYS HE2 H 1 3.000 0.02 . 2 . . . . 66 K HE2 . 16325 1 685 . 1 1 66 66 LYS HG2 H 1 1.460 0.02 . 2 . . . . 66 K HG2 . 16325 1 686 . 1 1 66 66 LYS C C 13 174.900 0.40 . 1 . . . . 66 K C . 16325 1 687 . 1 1 66 66 LYS CA C 13 55.490 0.40 . 1 . . . . 66 K CA . 16325 1 688 . 1 1 66 66 LYS CB C 13 34.670 0.40 . 1 . . . . 66 K CB . 16325 1 689 . 1 1 66 66 LYS CD C 13 29.200 0.40 . 1 . . . . 66 K CD . 16325 1 690 . 1 1 66 66 LYS CE C 13 42.400 0.40 . 1 . . . . 66 K CE . 16325 1 691 . 1 1 66 66 LYS CG C 13 24.900 0.40 . 1 . . . . 66 K CG . 16325 1 692 . 1 1 66 66 LYS N N 15 120.640 0.30 . 1 . . . . 66 K N . 16325 1 693 . 1 1 67 67 ASN H H 1 8.570 0.02 . 1 . . . . 67 N HN . 16325 1 694 . 1 1 67 67 ASN HA H 1 4.860 0.02 . 1 . . . . 67 N HA . 16325 1 695 . 1 1 67 67 ASN HB2 H 1 2.670 0.02 . 2 . . . . 67 N HB2 . 16325 1 696 . 1 1 67 67 ASN C C 13 174.700 0.40 . 1 . . . . 67 N C . 16325 1 697 . 1 1 67 67 ASN CA C 13 53.680 0.40 . 1 . . . . 67 N CA . 16325 1 698 . 1 1 67 67 ASN CB C 13 39.050 0.40 . 1 . . . . 67 N CB . 16325 1 699 . 1 1 67 67 ASN N N 15 123.400 0.30 . 1 . . . . 67 N N . 16325 1 700 . 1 1 68 68 GLU H H 1 8.970 0.02 . 1 . . . . 68 E HN . 16325 1 701 . 1 1 68 68 GLU HA H 1 4.630 0.02 . 1 . . . . 68 E HA . 16325 1 702 . 1 1 68 68 GLU HB2 H 1 1.660 0.02 . 2 . . . . 68 E HB2 . 16325 1 703 . 1 1 68 68 GLU HG2 H 1 2.010 0.02 . 2 . . . . 68 E HG2 . 16325 1 704 . 1 1 68 68 GLU C C 13 174.500 0.40 . 1 . . . . 68 E C . 16325 1 705 . 1 1 68 68 GLU CA C 13 54.130 0.40 . 1 . . . . 68 E CA . 16325 1 706 . 1 1 68 68 GLU CB C 13 32.450 0.40 . 1 . . . . 68 E CB . 16325 1 707 . 1 1 68 68 GLU CG C 13 33.300 0.40 . 1 . . . . 68 E CG . 16325 1 708 . 1 1 68 68 GLU N N 15 123.040 0.30 . 1 . . . . 68 E N . 16325 1 709 . 1 1 69 69 GLU H H 1 8.440 0.02 . 1 . . . . 69 E HN . 16325 1 710 . 1 1 69 69 GLU HA H 1 5.500 0.02 . 1 . . . . 69 E HA . 16325 1 711 . 1 1 69 69 GLU HB2 H 1 1.880 0.02 . 2 . . . . 69 E HB2 . 16325 1 712 . 1 1 69 69 GLU HG2 H 1 2.150 0.02 . 2 . . . . 69 E HG2 . 16325 1 713 . 1 1 69 69 GLU C C 13 175.000 0.40 . 1 . . . . 69 E C . 16325 1 714 . 1 1 69 69 GLU CA C 13 55.010 0.40 . 1 . . . . 69 E CA . 16325 1 715 . 1 1 69 69 GLU CB C 13 33.200 0.40 . 1 . . . . 69 E CB . 16325 1 716 . 1 1 69 69 GLU CG C 13 35.600 0.40 . 1 . . . . 69 E CG . 16325 1 717 . 1 1 69 69 GLU N N 15 118.940 0.30 . 1 . . . . 69 E N . 16325 1 718 . 1 1 70 70 ALA H H 1 9.140 0.02 . 1 . . . . 70 A HN . 16325 1 719 . 1 1 70 70 ALA HA H 1 4.840 0.02 . 1 . . . . 70 A HA . 16325 1 720 . 1 1 70 70 ALA HB1 H 1 1.430 0.02 . 1 . . . . 70 A HB1 . 16325 1 721 . 1 1 70 70 ALA HB2 H 1 1.430 0.02 . 1 . . . . 70 A HB1 . 16325 1 722 . 1 1 70 70 ALA HB3 H 1 1.430 0.02 . 1 . . . . 70 A HB1 . 16325 1 723 . 1 1 70 70 ALA C C 13 175.500 0.40 . 1 . . . . 70 A C . 16325 1 724 . 1 1 70 70 ALA CA C 13 51.720 0.40 . 1 . . . . 70 A CA . 16325 1 725 . 1 1 70 70 ALA CB C 13 23.780 0.40 . 1 . . . . 70 A CB . 16325 1 726 . 1 1 70 70 ALA N N 15 124.420 0.30 . 1 . . . . 70 A N . 16325 1 727 . 1 1 71 71 SER H H 1 8.640 0.02 . 1 . . . . 71 S HN . 16325 1 728 . 1 1 71 71 SER HA H 1 5.480 0.02 . 1 . . . . 71 S HA . 16325 1 729 . 1 1 71 71 SER HB2 H 1 3.600 0.02 . 2 . . . . 71 S HB1 . 16325 1 730 . 1 1 71 71 SER HB3 H 1 3.700 0.02 . 2 . . . . 71 S HB2 . 16325 1 731 . 1 1 71 71 SER C C 13 173.900 0.40 . 1 . . . . 71 S C . 16325 1 732 . 1 1 71 71 SER CA C 13 57.470 0.40 . 1 . . . . 71 S CA . 16325 1 733 . 1 1 71 71 SER CB C 13 63.760 0.40 . 1 . . . . 71 S CB . 16325 1 734 . 1 1 71 71 SER N N 15 118.040 0.30 . 1 . . . . 71 S N . 16325 1 735 . 1 1 72 72 ILE H H 1 9.100 0.02 . 1 . . . . 72 I HN . 16325 1 736 . 1 1 72 72 ILE HA H 1 4.340 0.02 . 1 . . . . 72 I HA . 16325 1 737 . 1 1 72 72 ILE HB H 1 1.460 0.02 . 1 . . . . 72 I HB . 16325 1 738 . 1 1 72 72 ILE HD11 H 1 0.600 0.02 . 9 . . . . 72 I HD11 . 16325 1 739 . 1 1 72 72 ILE HD12 H 1 0.600 0.02 . 9 . . . . 72 I HD11 . 16325 1 740 . 1 1 72 72 ILE HD13 H 1 0.600 0.02 . 9 . . . . 72 I HD11 . 16325 1 741 . 1 1 72 72 ILE HG12 H 1 0.940 0.02 . 2 . . . . 72 I HG11 . 16325 1 742 . 1 1 72 72 ILE HG13 H 1 1.390 0.02 . 2 . . . . 72 I HG12 . 16325 1 743 . 1 1 72 72 ILE HG21 H 1 0.800 0.02 . 1 . . . . 72 I HG21 . 16325 1 744 . 1 1 72 72 ILE HG22 H 1 0.800 0.02 . 1 . . . . 72 I HG21 . 16325 1 745 . 1 1 72 72 ILE HG23 H 1 0.800 0.02 . 1 . . . . 72 I HG21 . 16325 1 746 . 1 1 72 72 ILE C C 13 173.500 0.40 . 1 . . . . 72 I C . 16325 1 747 . 1 1 72 72 ILE CA C 13 60.140 0.40 . 1 . . . . 72 I CA . 16325 1 748 . 1 1 72 72 ILE CB C 13 41.920 0.40 . 1 . . . . 72 I CB . 16325 1 749 . 1 1 72 72 ILE CD1 C 13 13.500 0.40 . 1 . . . . 72 I CD1 . 16325 1 750 . 1 1 72 72 ILE CG1 C 13 26.800 0.40 . 1 . . . . 72 I CG1 . 16325 1 751 . 1 1 72 72 ILE CG2 C 13 18.900 0.40 . 1 . . . . 72 I CG2 . 16325 1 752 . 1 1 72 72 ILE N N 15 124.670 0.30 . 1 . . . . 72 I N . 16325 1 753 . 1 1 73 73 LYS H H 1 8.530 0.02 . 1 . . . . 73 K HN . 16325 1 754 . 1 1 73 73 LYS HA H 1 4.810 0.02 . 1 . . . . 73 K HA . 16325 1 755 . 1 1 73 73 LYS HB2 H 1 1.630 0.02 . 2 . . . . 73 K HB2 . 16325 1 756 . 1 1 73 73 LYS HD2 H 1 1.610 0.02 . 2 . . . . 73 K HD2 . 16325 1 757 . 1 1 73 73 LYS HE2 H 1 3.000 0.02 . 2 . . . . 73 K HE2 . 16325 1 758 . 1 1 73 73 LYS HG2 H 1 1.310 0.02 . 2 . . . . 73 K HG2 . 16325 1 759 . 1 1 73 73 LYS C C 13 176.000 0.40 . 1 . . . . 73 K C . 16325 1 760 . 1 1 73 73 LYS CA C 13 55.630 0.40 . 1 . . . . 73 K CA . 16325 1 761 . 1 1 73 73 LYS CB C 13 33.440 0.40 . 1 . . . . 73 K CB . 16325 1 762 . 1 1 73 73 LYS CD C 13 29.400 0.40 . 1 . . . . 73 K CD . 16325 1 763 . 1 1 73 73 LYS CE C 13 42.100 0.40 . 1 . . . . 73 K CE . 16325 1 764 . 1 1 73 73 LYS CG C 13 24.800 0.40 . 1 . . . . 73 K CG . 16325 1 765 . 1 1 73 73 LYS N N 15 128.060 0.30 . 1 . . . . 73 K N . 16325 1 766 . 1 1 74 74 LEU H H 1 8.900 0.02 . 1 . . . . 74 L HN . 16325 1 767 . 1 1 74 74 LEU HA H 1 4.230 0.02 . 1 . . . . 74 L HA . 16325 1 768 . 1 1 74 74 LEU HB2 H 1 1.250 0.02 . 2 . . . . 74 L HB1 . 16325 1 769 . 1 1 74 74 LEU HB3 H 1 2.000 0.02 . 2 . . . . 74 L HB2 . 16325 1 770 . 1 1 74 74 LEU HD11 H 1 0.640 0.02 . 2 . . . . 74 L HD11 . 16325 1 771 . 1 1 74 74 LEU HD12 H 1 0.640 0.02 . 2 . . . . 74 L HD11 . 16325 1 772 . 1 1 74 74 LEU HD13 H 1 0.640 0.02 . 2 . . . . 74 L HD11 . 16325 1 773 . 1 1 74 74 LEU HG H 1 0.820 0.02 . 1 . . . . 74 L HG . 16325 1 774 . 1 1 74 74 LEU C C 13 178.400 0.40 . 1 . . . . 74 L C . 16325 1 775 . 1 1 74 74 LEU CA C 13 55.520 0.40 . 1 . . . . 74 L CA . 16325 1 776 . 1 1 74 74 LEU CB C 13 42.240 0.40 . 1 . . . . 74 L CB . 16325 1 777 . 1 1 74 74 LEU CD1 C 13 25.400 0.40 . 2 . . . . 74 L CD1 . 16325 1 778 . 1 1 74 74 LEU CG C 13 26.900 0.40 . 1 . . . . 74 L CG . 16325 1 779 . 1 1 74 74 LEU N N 15 123.270 0.30 . 1 . . . . 74 L N . 16325 1 780 . 1 1 75 75 THR H H 1 8.550 0.02 . 1 . . . . 75 T HN . 16325 1 781 . 1 1 75 75 THR HA H 1 4.680 0.02 . 1 . . . . 75 T HA . 16325 1 782 . 1 1 75 75 THR HB H 1 4.110 0.02 . 1 . . . . 75 T HB . 16325 1 783 . 1 1 75 75 THR HG21 H 1 1.030 0.02 . 1 . . . . 75 T HG21 . 16325 1 784 . 1 1 75 75 THR HG22 H 1 1.030 0.02 . 1 . . . . 75 T HG21 . 16325 1 785 . 1 1 75 75 THR HG23 H 1 1.030 0.02 . 1 . . . . 75 T HG21 . 16325 1 786 . 1 1 75 75 THR C C 13 172.600 0.40 . 1 . . . . 75 T C . 16325 1 787 . 1 1 75 75 THR CA C 13 59.400 0.40 . 1 . . . . 75 T CA . 16325 1 788 . 1 1 75 75 THR CB C 13 71.300 0.40 . 1 . . . . 75 T CB . 16325 1 789 . 1 1 75 75 THR CG2 C 13 21.100 0.40 . 1 . . . . 75 T CG2 . 16325 1 790 . 1 1 75 75 THR N N 15 116.480 0.30 . 1 . . . . 75 T N . 16325 1 791 . 1 1 76 76 ALA H H 1 8.360 0.02 . 1 . . . . 76 A HN . 16325 1 792 . 1 1 76 76 ALA HA H 1 4.490 0.02 . 1 . . . . 76 A HA . 16325 1 793 . 1 1 76 76 ALA HB1 H 1 1.360 0.02 . 1 . . . . 76 A HB1 . 16325 1 794 . 1 1 76 76 ALA HB2 H 1 1.360 0.02 . 1 . . . . 76 A HB1 . 16325 1 795 . 1 1 76 76 ALA HB3 H 1 1.360 0.02 . 1 . . . . 76 A HB1 . 16325 1 796 . 1 1 76 76 ALA C C 13 179.100 0.40 . 1 . . . . 76 A C . 16325 1 797 . 1 1 76 76 ALA CA C 13 51.730 0.40 . 1 . . . . 76 A CA . 16325 1 798 . 1 1 76 76 ALA CB C 13 18.930 0.40 . 1 . . . . 76 A CB . 16325 1 799 . 1 1 76 76 ALA N N 15 123.400 0.30 . 1 . . . . 76 A N . 16325 1 800 . 1 1 77 77 ILE H H 1 8.850 0.02 . 1 . . . . 77 I HN . 16325 1 801 . 1 1 77 77 ILE HA H 1 4.370 0.02 . 1 . . . . 77 I HA . 16325 1 802 . 1 1 77 77 ILE HB H 1 2.060 0.02 . 1 . . . . 77 I HB . 16325 1 803 . 1 1 77 77 ILE HD11 H 1 0.710 0.02 . 1 . . . . 77 I HD11 . 16325 1 804 . 1 1 77 77 ILE HD12 H 1 0.710 0.02 . 1 . . . . 77 I HD11 . 16325 1 805 . 1 1 77 77 ILE HD13 H 1 0.710 0.02 . 1 . . . . 77 I HD11 . 16325 1 806 . 1 1 77 77 ILE HG12 H 1 1.180 0.02 . 2 . . . . 77 I HG11 . 16325 1 807 . 1 1 77 77 ILE HG13 H 1 1.220 0.02 . 2 . . . . 77 I HG12 . 16325 1 808 . 1 1 77 77 ILE HG21 H 1 0.730 0.02 . 1 . . . . 77 I HG21 . 16325 1 809 . 1 1 77 77 ILE HG22 H 1 0.730 0.02 . 1 . . . . 77 I HG21 . 16325 1 810 . 1 1 77 77 ILE HG23 H 1 0.730 0.02 . 1 . . . . 77 I HG21 . 16325 1 811 . 1 1 77 77 ILE C C 13 174.900 0.40 . 1 . . . . 77 I C . 16325 1 812 . 1 1 77 77 ILE CA C 13 59.850 0.40 . 1 . . . . 77 I CA . 16325 1 813 . 1 1 77 77 ILE CB C 13 39.200 0.40 . 1 . . . . 77 I CB . 16325 1 814 . 1 1 77 77 ILE CD1 C 13 14.400 0.40 . 1 . . . . 77 I CD1 . 16325 1 815 . 1 1 77 77 ILE CG1 C 13 26.900 0.40 . 1 . . . . 77 I CG1 . 16325 1 816 . 1 1 77 77 ILE CG2 C 13 19.100 0.40 . 1 . . . . 77 I CG2 . 16325 1 817 . 1 1 77 77 ILE N N 15 118.310 0.30 . 1 . . . . 77 I N . 16325 1 818 . 1 1 78 78 ASP H H 1 7.580 0.02 . 1 . . . . 78 D HN . 16325 1 819 . 1 1 78 78 ASP HA H 1 4.670 0.02 . 1 . . . . 78 D HA . 16325 1 820 . 1 1 78 78 ASP HB2 H 1 2.750 0.02 . 2 . . . . 78 D HB1 . 16325 1 821 . 1 1 78 78 ASP HB3 H 1 3.180 0.02 . 2 . . . . 78 D HB2 . 16325 1 822 . 1 1 78 78 ASP C C 13 177.300 0.40 . 1 . . . . 78 D C . 16325 1 823 . 1 1 78 78 ASP CA C 13 52.500 0.40 . 1 . . . . 78 D CA . 16325 1 824 . 1 1 78 78 ASP CB C 13 42.100 0.40 . 1 . . . . 78 D CB . 16325 1 825 . 1 1 78 78 ASP N N 15 118.160 0.30 . 1 . . . . 78 D N . 16325 1 826 . 1 1 79 79 LYS H H 1 8.380 0.02 . 1 . . . . 79 K HN . 16325 1 827 . 1 1 79 79 LYS HA H 1 4.200 0.02 . 1 . . . . 79 K HA . 16325 1 828 . 1 1 79 79 LYS HB2 H 1 1.800 0.02 . 2 . . . . 79 K HB2 . 16325 1 829 . 1 1 79 79 LYS HD2 H 1 1.700 0.02 . 2 . . . . 79 K HD2 . 16325 1 830 . 1 1 79 79 LYS HE2 H 1 2.980 0.02 . 2 . . . . 79 K HE2 . 16325 1 831 . 1 1 79 79 LYS HG2 H 1 1.490 0.02 . 2 . . . . 79 K HG2 . 16325 1 832 . 1 1 79 79 LYS C C 13 177.200 0.40 . 1 . . . . 79 K C . 16325 1 833 . 1 1 79 79 LYS CA C 13 57.620 0.40 . 1 . . . . 79 K CA . 16325 1 834 . 1 1 79 79 LYS CB C 13 31.940 0.40 . 1 . . . . 79 K CB . 16325 1 835 . 1 1 79 79 LYS CD C 13 28.900 0.40 . 1 . . . . 79 K CD . 16325 1 836 . 1 1 79 79 LYS CE C 13 42.300 0.40 . 1 . . . . 79 K CE . 16325 1 837 . 1 1 79 79 LYS CG C 13 25.000 0.40 . 1 . . . . 79 K CG . 16325 1 838 . 1 1 79 79 LYS N N 15 117.260 0.30 . 1 . . . . 79 K N . 16325 1 839 . 1 1 80 80 LYS H H 1 7.900 0.02 . 1 . . . . 80 K HN . 16325 1 840 . 1 1 80 80 LYS HA H 1 4.350 0.02 . 1 . . . . 80 K HA . 16325 1 841 . 1 1 80 80 LYS HB2 H 1 1.810 0.02 . 2 . . . . 80 K HB2 . 16325 1 842 . 1 1 80 80 LYS HD2 H 1 1.590 0.02 . 2 . . . . 80 K HD2 . 16325 1 843 . 1 1 80 80 LYS HE2 H 1 2.900 0.02 . 2 . . . . 80 K HE2 . 16325 1 844 . 1 1 80 80 LYS HG2 H 1 1.330 0.02 . 2 . . . . 80 K HG2 . 16325 1 845 . 1 1 80 80 LYS C C 13 176.800 0.40 . 1 . . . . 80 K C . 16325 1 846 . 1 1 80 80 LYS CA C 13 56.070 0.40 . 1 . . . . 80 K CA . 16325 1 847 . 1 1 80 80 LYS CB C 13 32.430 0.40 . 1 . . . . 80 K CB . 16325 1 848 . 1 1 80 80 LYS CD C 13 29.200 0.40 . 1 . . . . 80 K CD . 16325 1 849 . 1 1 80 80 LYS CE C 13 42.200 0.40 . 1 . . . . 80 K CE . 16325 1 850 . 1 1 80 80 LYS CG C 13 24.800 0.40 . 1 . . . . 80 K CG . 16325 1 851 . 1 1 80 80 LYS N N 15 118.240 0.30 . 1 . . . . 80 K N . 16325 1 852 . 1 1 81 81 GLY H H 1 7.850 0.02 . 1 . . . . 81 G HN . 16325 1 853 . 1 1 81 81 GLY HA2 H 1 4.170 0.02 . 2 . . . . 81 G HA1 . 16325 1 854 . 1 1 81 81 GLY HA3 H 1 3.520 0.02 . 2 . . . . 81 G HA2 . 16325 1 855 . 1 1 81 81 GLY C C 13 173.700 0.40 . 1 . . . . 81 G C . 16325 1 856 . 1 1 81 81 GLY CA C 13 45.340 0.40 . 1 . . . . 81 G CA . 16325 1 857 . 1 1 81 81 GLY N N 15 107.740 0.30 . 1 . . . . 81 G N . 16325 1 858 . 1 1 82 82 THR H H 1 8.760 0.02 . 1 . . . . 82 T HN . 16325 1 859 . 1 1 82 82 THR HA H 1 4.060 0.02 . 1 . . . . 82 T HA . 16325 1 860 . 1 1 82 82 THR HB H 1 3.650 0.02 . 1 . . . . 82 T HB . 16325 1 861 . 1 1 82 82 THR HG21 H 1 0.850 0.02 . 1 . . . . 82 T HG21 . 16325 1 862 . 1 1 82 82 THR HG22 H 1 0.850 0.02 . 1 . . . . 82 T HG21 . 16325 1 863 . 1 1 82 82 THR HG23 H 1 0.850 0.02 . 1 . . . . 82 T HG21 . 16325 1 864 . 1 1 82 82 THR CA C 13 61.340 0.40 . 1 . . . . 82 T CA . 16325 1 865 . 1 1 82 82 THR CB C 13 68.440 0.40 . 1 . . . . 82 T CB . 16325 1 866 . 1 1 82 82 THR CG2 C 13 20.970 0.40 . 1 . . . . 82 T CG2 . 16325 1 867 . 1 1 82 82 THR N N 15 122.360 0.30 . 1 . . . . 82 T N . 16325 1 868 . 1 1 83 83 PRO HA H 1 4.760 0.02 . 1 . . . . 83 P HA . 16325 1 869 . 1 1 83 83 PRO HB2 H 1 1.720 0.02 . 2 . . . . 83 P HB2 . 16325 1 870 . 1 1 83 83 PRO HD2 H 1 3.640 0.02 . 2 . . . . 83 P HD1 . 16325 1 871 . 1 1 83 83 PRO HD3 H 1 4.040 0.02 . 2 . . . . 83 P HD2 . 16325 1 872 . 1 1 83 83 PRO HG2 H 1 2.220 0.02 . 2 . . . . 83 P HG1 . 16325 1 873 . 1 1 83 83 PRO HG3 H 1 1.900 0.02 . 2 . . . . 83 P HG2 . 16325 1 874 . 1 1 83 83 PRO C C 13 177.100 0.40 . 1 . . . . 83 P C . 16325 1 875 . 1 1 83 83 PRO CA C 13 61.750 0.40 . 1 . . . . 83 P CA . 16325 1 876 . 1 1 83 83 PRO CB C 13 33.000 0.40 . 1 . . . . 83 P CB . 16325 1 877 . 1 1 83 83 PRO CD C 13 51.200 0.40 . 1 . . . . 83 P CD . 16325 1 878 . 1 1 83 83 PRO CG C 13 27.500 0.40 . 1 . . . . 83 P CG . 16325 1 879 . 1 1 84 84 GLY H H 1 8.870 0.02 . 1 . . . . 84 G HN . 16325 1 880 . 1 1 84 84 GLY HA2 H 1 4.140 0.02 . 2 . . . . 84 G HA2 . 16325 1 881 . 1 1 84 84 GLY C C 13 171.400 0.40 . 1 . . . . 84 G C . 16325 1 882 . 1 1 84 84 GLY CA C 13 46.360 0.40 . 1 . . . . 84 G CA . 16325 1 883 . 1 1 84 84 GLY N N 15 104.120 0.30 . 1 . . . . 84 G N . 16325 1 884 . 1 1 85 85 ILE H H 1 8.920 0.02 . 1 . . . . 85 I HN . 16325 1 885 . 1 1 85 85 ILE HA H 1 4.570 0.02 . 1 . . . . 85 I HA . 16325 1 886 . 1 1 85 85 ILE HB H 1 1.870 0.02 . 1 . . . . 85 I HB . 16325 1 887 . 1 1 85 85 ILE HD11 H 1 0.670 0.02 . 1 . . . . 85 I HD11 . 16325 1 888 . 1 1 85 85 ILE HD12 H 1 0.670 0.02 . 1 . . . . 85 I HD11 . 16325 1 889 . 1 1 85 85 ILE HD13 H 1 0.670 0.02 . 1 . . . . 85 I HD11 . 16325 1 890 . 1 1 85 85 ILE HG12 H 1 1.070 0.02 . 2 . . . . 85 I HG11 . 16325 1 891 . 1 1 85 85 ILE HG13 H 1 1.340 0.02 . 2 . . . . 85 I HG12 . 16325 1 892 . 1 1 85 85 ILE HG21 H 1 0.750 0.02 . 1 . . . . 85 I HG21 . 16325 1 893 . 1 1 85 85 ILE HG22 H 1 0.750 0.02 . 1 . . . . 85 I HG21 . 16325 1 894 . 1 1 85 85 ILE HG23 H 1 0.750 0.02 . 1 . . . . 85 I HG21 . 16325 1 895 . 1 1 85 85 ILE C C 13 175.100 0.40 . 1 . . . . 85 I C . 16325 1 896 . 1 1 85 85 ILE CA C 13 61.110 0.40 . 1 . . . . 85 I CA . 16325 1 897 . 1 1 85 85 ILE CB C 13 40.020 0.40 . 1 . . . . 85 I CB . 16325 1 898 . 1 1 85 85 ILE CD1 C 13 13.600 0.40 . 1 . . . . 85 I CD1 . 16325 1 899 . 1 1 85 85 ILE CG1 C 13 27.000 0.40 . 1 . . . . 85 I CG1 . 16325 1 900 . 1 1 85 85 ILE CG2 C 13 19.000 0.40 . 1 . . . . 85 I CG2 . 16325 1 901 . 1 1 85 85 ILE N N 15 112.690 0.30 . 1 . . . . 85 I N . 16325 1 902 . 1 1 86 86 GLY H H 1 8.980 0.02 . 1 . . . . 86 G HN . 16325 1 903 . 1 1 86 86 GLY HA2 H 1 3.770 0.02 . 2 . . . . 86 G HA1 . 16325 1 904 . 1 1 86 86 GLY HA3 H 1 4.160 0.02 . 2 . . . . 86 G HA2 . 16325 1 905 . 1 1 86 86 GLY C C 13 173.300 0.40 . 1 . . . . 86 G C . 16325 1 906 . 1 1 86 86 GLY CA C 13 45.960 0.40 . 1 . . . . 86 G CA . 16325 1 907 . 1 1 86 86 GLY N N 15 112.050 0.30 . 1 . . . . 86 G N . 16325 1 908 . 1 1 87 87 ILE H H 1 7.290 0.02 . 1 . . . . 87 I HN . 16325 1 909 . 1 1 87 87 ILE HA H 1 5.170 0.02 . 1 . . . . 87 I HA . 16325 1 910 . 1 1 87 87 ILE HB H 1 1.850 0.02 . 1 . . . . 87 I HB . 16325 1 911 . 1 1 87 87 ILE HD11 H 1 0.560 0.02 . 1 . . . . 87 I HD11 . 16325 1 912 . 1 1 87 87 ILE HD12 H 1 0.560 0.02 . 1 . . . . 87 I HD11 . 16325 1 913 . 1 1 87 87 ILE HD13 H 1 0.560 0.02 . 1 . . . . 87 I HD11 . 16325 1 914 . 1 1 87 87 ILE HG12 H 1 1.210 0.02 . 2 . . . . 87 I HG12 . 16325 1 915 . 1 1 87 87 ILE HG21 H 1 0.660 0.02 . 1 . . . . 87 I HG21 . 16325 1 916 . 1 1 87 87 ILE HG22 H 1 0.660 0.02 . 1 . . . . 87 I HG21 . 16325 1 917 . 1 1 87 87 ILE HG23 H 1 0.660 0.02 . 1 . . . . 87 I HG21 . 16325 1 918 . 1 1 87 87 ILE C C 13 174.800 0.40 . 1 . . . . 87 I C . 16325 1 919 . 1 1 87 87 ILE CA C 13 58.850 0.40 . 1 . . . . 87 I CA . 16325 1 920 . 1 1 87 87 ILE CB C 13 41.480 0.40 . 1 . . . . 87 I CB . 16325 1 921 . 1 1 87 87 ILE CD1 C 13 14.900 0.40 . 1 . . . . 87 I CD1 . 16325 1 922 . 1 1 87 87 ILE CG1 C 13 24.800 0.40 . 1 . . . . 87 I CG1 . 16325 1 923 . 1 1 87 87 ILE CG2 C 13 18.700 0.40 . 1 . . . . 87 I CG2 . 16325 1 924 . 1 1 87 87 ILE N N 15 110.880 0.30 . 1 . . . . 87 I N . 16325 1 925 . 1 1 88 88 THR H H 1 8.350 0.02 . 1 . . . . 88 T HN . 16325 1 926 . 1 1 88 88 THR HA H 1 4.580 0.02 . 1 . . . . 88 T HA . 16325 1 927 . 1 1 88 88 THR HB H 1 4.050 0.02 . 1 . . . . 88 T HB . 16325 1 928 . 1 1 88 88 THR HG21 H 1 1.200 0.02 . 1 . . . . 88 T HG21 . 16325 1 929 . 1 1 88 88 THR HG22 H 1 1.200 0.02 . 1 . . . . 88 T HG21 . 16325 1 930 . 1 1 88 88 THR HG23 H 1 1.200 0.02 . 1 . . . . 88 T HG21 . 16325 1 931 . 1 1 88 88 THR C C 13 173.700 0.40 . 1 . . . . 88 T C . 16325 1 932 . 1 1 88 88 THR CA C 13 61.410 0.40 . 1 . . . . 88 T CA . 16325 1 933 . 1 1 88 88 THR CB C 13 70.570 0.40 . 1 . . . . 88 T CB . 16325 1 934 . 1 1 88 88 THR CG2 C 13 22.300 0.40 . 1 . . . . 88 T CG2 . 16325 1 935 . 1 1 88 88 THR N N 15 116.050 0.30 . 1 . . . . 88 T N . 16325 1 936 . 1 1 89 89 LEU H H 1 8.950 0.02 . 1 . . . . 89 L HN . 16325 1 937 . 1 1 89 89 LEU HA H 1 5.210 0.02 . 1 . . . . 89 L HA . 16325 1 938 . 1 1 89 89 LEU HB2 H 1 1.410 0.02 . 2 . . . . 89 L HB1 . 16325 1 939 . 1 1 89 89 LEU HB3 H 1 1.640 0.02 . 2 . . . . 89 L HB2 . 16325 1 940 . 1 1 89 89 LEU HD11 H 1 0.530 0.02 . 2 . . . . 89 L HD11 . 16325 1 941 . 1 1 89 89 LEU HD12 H 1 0.530 0.02 . 2 . . . . 89 L HD11 . 16325 1 942 . 1 1 89 89 LEU HD13 H 1 0.530 0.02 . 2 . . . . 89 L HD11 . 16325 1 943 . 1 1 89 89 LEU HG H 1 0.640 0.02 . 1 . . . . 89 L HG . 16325 1 944 . 1 1 89 89 LEU C C 13 176.000 0.40 . 1 . . . . 89 L C . 16325 1 945 . 1 1 89 89 LEU CA C 13 53.600 0.40 . 1 . . . . 89 L CA . 16325 1 946 . 1 1 89 89 LEU CB C 13 44.840 0.40 . 1 . . . . 89 L CB . 16325 1 947 . 1 1 89 89 LEU CD1 C 13 24.300 0.40 . 2 . . . . 89 L CD1 . 16325 1 948 . 1 1 89 89 LEU CG C 13 26.000 0.40 . 1 . . . . 89 L CG . 16325 1 949 . 1 1 89 89 LEU N N 15 126.710 0.30 . 1 . . . . 89 L N . 16325 1 950 . 1 1 90 90 VAL H H 1 8.820 0.02 . 1 . . . . 90 V HN . 16325 1 951 . 1 1 90 90 VAL HA H 1 4.320 0.02 . 1 . . . . 90 V HA . 16325 1 952 . 1 1 90 90 VAL HB H 1 2.140 0.02 . 1 . . . . 90 V HB . 16325 1 953 . 1 1 90 90 VAL HG21 H 1 0.900 0.02 . 2 . . . . 90 V HG21 . 16325 1 954 . 1 1 90 90 VAL HG22 H 1 0.900 0.02 . 2 . . . . 90 V HG21 . 16325 1 955 . 1 1 90 90 VAL HG23 H 1 0.900 0.02 . 2 . . . . 90 V HG21 . 16325 1 956 . 1 1 90 90 VAL C C 13 174.600 0.40 . 1 . . . . 90 V C . 16325 1 957 . 1 1 90 90 VAL CA C 13 61.300 0.40 . 1 . . . . 90 V CA . 16325 1 958 . 1 1 90 90 VAL CB C 13 34.850 0.40 . 1 . . . . 90 V CB . 16325 1 959 . 1 1 90 90 VAL CG1 C 13 21.800 0.40 . 2 . . . . 90 V CG1 . 16325 1 960 . 1 1 90 90 VAL CG2 C 13 21.800 0.40 . 2 . . . . 90 V CG2 . 16325 1 961 . 1 1 90 90 VAL N N 15 117.740 0.30 . 1 . . . . 90 V N . 16325 1 962 . 1 1 91 91 ASP H H 1 8.510 0.02 . 1 . . . . 91 D HN . 16325 1 963 . 1 1 91 91 ASP HA H 1 4.890 0.02 . 1 . . . . 91 D HA . 16325 1 964 . 1 1 91 91 ASP HB2 H 1 2.750 0.02 . 2 . . . . 91 D HB2 . 16325 1 965 . 1 1 91 91 ASP C C 13 176.000 0.40 . 1 . . . . 91 D C . 16325 1 966 . 1 1 91 91 ASP CA C 13 54.920 0.40 . 1 . . . . 91 D CA . 16325 1 967 . 1 1 91 91 ASP CB C 13 41.590 0.40 . 1 . . . . 91 D CB . 16325 1 968 . 1 1 91 91 ASP N N 15 123.890 0.30 . 1 . . . . 91 D N . 16325 1 969 . 1 1 92 92 ASP H H 1 8.390 0.02 . 1 . . . . 92 D HN . 16325 1 970 . 1 1 92 92 ASP HA H 1 4.730 0.02 . 1 . . . . 92 D HA . 16325 1 971 . 1 1 92 92 ASP HB2 H 1 2.770 0.02 . 2 . . . . 92 D HB2 . 16325 1 972 . 1 1 92 92 ASP C C 13 175.800 0.40 . 1 . . . . 92 D C . 16325 1 973 . 1 1 92 92 ASP CA C 13 53.890 0.40 . 1 . . . . 92 D CA . 16325 1 974 . 1 1 92 92 ASP CB C 13 41.650 0.40 . 1 . . . . 92 D CB . 16325 1 975 . 1 1 92 92 ASP N N 15 119.860 0.30 . 1 . . . . 92 D N . 16325 1 976 . 1 1 93 93 LEU H H 1 8.180 0.02 . 1 . . . . 93 L HN . 16325 1 977 . 1 1 93 93 LEU HA H 1 4.130 0.02 . 1 . . . . 93 L HA . 16325 1 978 . 1 1 93 93 LEU HB2 H 1 1.420 0.02 . 2 . . . . 93 L HB2 . 16325 1 979 . 1 1 93 93 LEU HD21 H 1 0.750 0.02 . 2 . . . . 93 L HD21 . 16325 1 980 . 1 1 93 93 LEU HD22 H 1 0.750 0.02 . 2 . . . . 93 L HD21 . 16325 1 981 . 1 1 93 93 LEU HD23 H 1 0.750 0.02 . 2 . . . . 93 L HD21 . 16325 1 982 . 1 1 93 93 LEU HG H 1 1.400 0.02 . 1 . . . . 93 L HG . 16325 1 983 . 1 1 93 93 LEU C C 13 177.700 0.40 . 1 . . . . 93 L C . 16325 1 984 . 1 1 93 93 LEU CA C 13 55.920 0.40 . 1 . . . . 93 L CA . 16325 1 985 . 1 1 93 93 LEU CB C 13 42.120 0.40 . 1 . . . . 93 L CB . 16325 1 986 . 1 1 93 93 LEU CD1 C 13 24.800 0.40 . 2 . . . . 93 L CD1 . 16325 1 987 . 1 1 93 93 LEU CD2 C 13 23.800 0.40 . 2 . . . . 93 L CD2 . 16325 1 988 . 1 1 93 93 LEU CG C 13 27.000 0.40 . 1 . . . . 93 L CG . 16325 1 989 . 1 1 93 93 LEU N N 15 122.430 0.30 . 1 . . . . 93 L N . 16325 1 990 . 1 1 94 94 GLU H H 1 8.240 0.02 . 1 . . . . 94 E HN . 16325 1 991 . 1 1 94 94 GLU HA H 1 4.070 0.02 . 1 . . . . 94 E HA . 16325 1 992 . 1 1 94 94 GLU HB2 H 1 1.860 0.02 . 2 . . . . 94 E HB2 . 16325 1 993 . 1 1 94 94 GLU HG2 H 1 2.120 0.02 . 2 . . . . 94 E HG1 . 16325 1 994 . 1 1 94 94 GLU HG3 H 1 2.170 0.02 . 2 . . . . 94 E HG2 . 16325 1 995 . 1 1 94 94 GLU C C 13 176.500 0.40 . 1 . . . . 94 E C . 16325 1 996 . 1 1 94 94 GLU CA C 13 56.790 0.40 . 1 . . . . 94 E CA . 16325 1 997 . 1 1 94 94 GLU CB C 13 29.440 0.40 . 1 . . . . 94 E CB . 16325 1 998 . 1 1 94 94 GLU CG C 13 35.400 0.40 . 1 . . . . 94 E CG . 16325 1 999 . 1 1 94 94 GLU N N 15 118.890 0.30 . 1 . . . . 94 E N . 16325 1 1000 . 1 1 95 95 HIS H H 1 8.250 0.02 . 1 . . . . 95 H HN . 16325 1 1001 . 1 1 95 95 HIS CA C 13 55.680 0.40 . 1 . . . . 95 H CA . 16325 1 1002 . 1 1 95 95 HIS CB C 13 28.300 0.40 . 1 . . . . 95 H CB . 16325 1 1003 . 1 1 95 95 HIS N N 15 117.130 0.30 . 1 . . . . 95 H N . 16325 1 1004 . 1 1 96 96 HIS H H 1 8.440 0.02 . 1 . . . . 96 H HN . 16325 1 1005 . 1 1 96 96 HIS CA C 13 55.550 0.40 . 1 . . . . 96 H CA . 16325 1 1006 . 1 1 96 96 HIS CB C 13 28.830 0.40 . 1 . . . . 96 H CB . 16325 1 1007 . 1 1 96 96 HIS N N 15 118.170 0.30 . 1 . . . . 96 H N . 16325 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 16325 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 8 '2D HSQC/TROSY' . . . 16325 1 9 '2D HSQC/TROSY' . . . 16325 1 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 3 $NMRPipe . . 16325 1 4 $NMRView . . 16325 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DHN . 1 1 7 7 ASP H H 1 . . 1 1 7 7 ASP N N 15 . 6.66 . . 1.0 . . . . . . . . . . . 16325 1 2 DHN . 1 1 8 8 GLY H H 1 . . 1 1 8 8 GLY N N 15 . 5.086 . . 1.0 . . . . . . . . . . . 16325 1 3 DHN . 1 1 9 9 VAL H H 1 . . 1 1 9 9 VAL N N 15 . 3.12 . . 1.0 . . . . . . . . . . . 16325 1 4 DHN . 1 1 10 10 TYR H H 1 . . 1 1 10 10 TYR N N 15 . 3.704 . . 1.0 . . . . . . . . . . . 16325 1 5 DHN . 1 1 11 11 VAL H H 1 . . 1 1 11 11 VAL N N 15 . -1.254 . . 1.0 . . . . . . . . . . . 16325 1 6 DHN . 1 1 12 12 LEU H H 1 . . 1 1 12 12 LEU N N 15 . 3.038 . . 1.0 . . . . . . . . . . . 16325 1 7 DHN . 1 1 13 13 SER H H 1 . . 1 1 13 13 SER N N 15 . 15.388 . . 1.0 . . . . . . . . . . . 16325 1 8 DHN . 1 1 14 14 VAL H H 1 . . 1 1 14 14 VAL N N 15 . 14.204 . . 1.0 . . . . . . . . . . . 16325 1 9 DHN . 1 1 15 15 LYS H H 1 . . 1 1 15 15 LYS N N 15 . 15.69 . . 1.0 . . . . . . . . . . . 16325 1 10 DHN . 1 1 16 16 GLU H H 1 . . 1 1 16 16 GLU N N 15 . 4.922 . . 1.0 . . . . . . . . . . . 16325 1 11 DHN . 1 1 17 17 ASP H H 1 . . 1 1 17 17 ASP N N 15 . 3.742 . . 1.0 . . . . . . . . . . . 16325 1 12 DHN . 1 1 18 18 VAL H H 1 . . 1 1 18 18 VAL N N 15 . -7.322 . . 1.0 . . . . . . . . . . . 16325 1 13 DHN . 1 1 21 21 ALA H H 1 . . 1 1 21 21 ALA N N 15 . -17.254 . . 1.0 . . . . . . . . . . . 16325 1 14 DHN . 1 1 22 22 GLY H H 1 . . 1 1 22 22 GLY N N 15 . -3.726 . . 1.0 . . . . . . . . . . . 16325 1 15 DHN . 1 1 23 23 ILE H H 1 . . 1 1 23 23 ILE N N 15 . -1.24 . . 1.0 . . . . . . . . . . . 16325 1 16 DHN . 1 1 25 25 HIS H H 1 . . 1 1 25 25 HIS N N 15 . -5.176 . . 1.0 . . . . . . . . . . . 16325 1 17 DHN . 1 1 26 26 ALA H H 1 . . 1 1 26 26 ALA N N 15 . -0.07 . . 1.0 . . . . . . . . . . . 16325 1 18 DHN . 1 1 27 27 GLY H H 1 . . 1 1 27 27 GLY N N 15 . 4.12 . . 1.0 . . . . . . . . . . . 16325 1 19 DHN . 1 1 28 28 ASP H H 1 . . 1 1 28 28 ASP N N 15 . -17.83 . . 1.0 . . . . . . . . . . . 16325 1 20 DHN . 1 1 30 30 ILE H H 1 . . 1 1 30 30 ILE N N 15 . 3.962 . . 1.0 . . . . . . . . . . . 16325 1 21 DHN . 1 1 31 31 THR H H 1 . . 1 1 31 31 THR N N 15 . 0.994 . . 1.0 . . . . . . . . . . . 16325 1 22 DHN . 1 1 34 34 ASP H H 1 . . 1 1 34 34 ASP N N 15 . 11.538 . . 1.0 . . . . . . . . . . . 16325 1 23 DHN . 1 1 40 40 SER H H 1 . . 1 1 40 40 SER N N 15 . -2.078 . . 1.0 . . . . . . . . . . . 16325 1 24 DHN . 1 1 41 41 SER H H 1 . . 1 1 41 41 SER N N 15 . -7.632 . . 1.0 . . . . . . . . . . . 16325 1 25 DHN . 1 1 42 42 GLN H H 1 . . 1 1 42 42 GLN N N 15 . -13.66 . . 1.0 . . . . . . . . . . . 16325 1 26 DHN . 1 1 44 44 PHE H H 1 . . 1 1 44 44 PHE N N 15 . -6.286 . . 1.0 . . . . . . . . . . . 16325 1 27 DHN . 1 1 45 45 ILE H H 1 . . 1 1 45 45 ILE N N 15 . -14.09 . . 1.0 . . . . . . . . . . . 16325 1 28 DHN . 1 1 47 47 TYR H H 1 . . 1 1 47 47 TYR N N 15 . -12.578 . . 1.0 . . . . . . . . . . . 16325 1 29 DHN . 1 1 48 48 ILE H H 1 . . 1 1 48 48 ILE N N 15 . -13.884 . . 1.0 . . . . . . . . . . . 16325 1 30 DHN . 1 1 50 50 SER H H 1 . . 1 1 50 50 SER N N 15 . -15.04 . . 1.0 . . . . . . . . . . . 16325 1 31 DHN . 1 1 51 51 LYS H H 1 . . 1 1 51 51 LYS N N 15 . 6.73 . . 1.0 . . . . . . . . . . . 16325 1 32 DHN . 1 1 52 52 LYS H H 1 . . 1 1 52 52 LYS N N 15 . 3.398 . . 1.0 . . . . . . . . . . . 16325 1 33 DHN . 1 1 53 53 VAL H H 1 . . 1 1 53 53 VAL N N 15 . -0.406 . . 1.0 . . . . . . . . . . . 16325 1 34 DHN . 1 1 54 54 GLY H H 1 . . 1 1 54 54 GLY N N 15 . 3.168 . . 1.0 . . . . . . . . . . . 16325 1 35 DHN . 1 1 55 55 ASP H H 1 . . 1 1 55 55 ASP N N 15 . 6.064 . . 1.0 . . . . . . . . . . . 16325 1 36 DHN . 1 1 56 56 THR H H 1 . . 1 1 56 56 THR N N 15 . 13.868 . . 1.0 . . . . . . . . . . . 16325 1 37 DHN . 1 1 57 57 VAL H H 1 . . 1 1 57 57 VAL N N 15 . 13.09 . . 1.0 . . . . . . . . . . . 16325 1 38 DHN . 1 1 58 58 LYS H H 1 . . 1 1 58 58 LYS N N 15 . 11.778 . . 1.0 . . . . . . . . . . . 16325 1 39 DHN . 1 1 59 59 ILE H H 1 . . 1 1 59 59 ILE N N 15 . 2.078 . . 1.0 . . . . . . . . . . . 16325 1 40 DHN . 1 1 60 60 LYS H H 1 . . 1 1 60 60 LYS N N 15 . 7.584 . . 1.0 . . . . . . . . . . . 16325 1 41 DHN . 1 1 61 61 TYR H H 1 . . 1 1 61 61 TYR N N 15 . 5.326 . . 1.0 . . . . . . . . . . . 16325 1 42 DHN . 1 1 62 62 LYS H H 1 . . 1 1 62 62 LYS N N 15 . 5.02 . . 1.0 . . . . . . . . . . . 16325 1 43 DHN . 1 1 63 63 HIS H H 1 . . 1 1 63 63 HIS N N 15 . 3.752 . . 1.0 . . . . . . . . . . . 16325 1 44 DHN . 1 1 64 64 GLY H H 1 . . 1 1 64 64 GLY N N 15 . 5.678 . . 1.0 . . . . . . . . . . . 16325 1 45 DHN . 1 1 65 65 ASN H H 1 . . 1 1 65 65 ASN N N 15 . 7.676 . . 1.0 . . . . . . . . . . . 16325 1 46 DHN . 1 1 66 66 LYS H H 1 . . 1 1 66 66 LYS N N 15 . 4.368 . . 1.0 . . . . . . . . . . . 16325 1 47 DHN . 1 1 67 67 ASN H H 1 . . 1 1 67 67 ASN N N 15 . -5.636 . . 1.0 . . . . . . . . . . . 16325 1 48 DHN . 1 1 68 68 GLU H H 1 . . 1 1 68 68 GLU N N 15 . 4.658 . . 1.0 . . . . . . . . . . . 16325 1 49 DHN . 1 1 69 69 GLU H H 1 . . 1 1 69 69 GLU N N 15 . 7.856 . . 1.0 . . . . . . . . . . . 16325 1 50 DHN . 1 1 70 70 ALA H H 1 . . 1 1 70 70 ALA N N 15 . 4.898 . . 1.0 . . . . . . . . . . . 16325 1 51 DHN . 1 1 71 71 SER H H 1 . . 1 1 71 71 SER N N 15 . 7.992 . . 1.0 . . . . . . . . . . . 16325 1 52 DHN . 1 1 72 72 ILE H H 1 . . 1 1 72 72 ILE N N 15 . 6.726 . . 1.0 . . . . . . . . . . . 16325 1 53 DHN . 1 1 73 73 LYS H H 1 . . 1 1 73 73 LYS N N 15 . 12.14 . . 1.0 . . . . . . . . . . . 16325 1 54 DHN . 1 1 74 74 LEU H H 1 . . 1 1 74 74 LEU N N 15 . 14.52 . . 1.0 . . . . . . . . . . . 16325 1 55 DHN . 1 1 75 75 THR H H 1 . . 1 1 75 75 THR N N 15 . -15.182 . . 1.0 . . . . . . . . . . . 16325 1 56 DHN . 1 1 76 76 ALA H H 1 . . 1 1 76 76 ALA N N 15 . -9.238 . . 1.0 . . . . . . . . . . . 16325 1 57 DHN . 1 1 77 77 ILE H H 1 . . 1 1 77 77 ILE N N 15 . 14.144 . . 1.0 . . . . . . . . . . . 16325 1 58 DHN . 1 1 78 78 ASP H H 1 . . 1 1 78 78 ASP N N 15 . 8.952 . . 1.0 . . . . . . . . . . . 16325 1 59 DHN . 1 1 79 79 LYS H H 1 . . 1 1 79 79 LYS N N 15 . 2.698 . . 1.0 . . . . . . . . . . . 16325 1 60 DHN . 1 1 80 80 LYS H H 1 . . 1 1 80 80 LYS N N 15 . -12.908 . . 1.0 . . . . . . . . . . . 16325 1 61 DHN . 1 1 81 81 GLY H H 1 . . 1 1 81 81 GLY N N 15 . 13.68 . . 1.0 . . . . . . . . . . . 16325 1 62 DHN . 1 1 84 84 GLY H H 1 . . 1 1 84 84 GLY N N 15 . -10.672 . . 1.0 . . . . . . . . . . . 16325 1 63 DHN . 1 1 86 86 GLY H H 1 . . 1 1 86 86 GLY N N 15 . 9.194 . . 1.0 . . . . . . . . . . . 16325 1 64 DHN . 1 1 87 87 ILE H H 1 . . 1 1 87 87 ILE N N 15 . 13.932 . . 1.0 . . . . . . . . . . . 16325 1 65 DHN . 1 1 88 88 THR H H 1 . . 1 1 88 88 THR N N 15 . 8.324 . . 1.0 . . . . . . . . . . . 16325 1 66 DHN . 1 1 89 89 LEU H H 1 . . 1 1 89 89 LEU N N 15 . 1.214 . . 1.0 . . . . . . . . . . . 16325 1 67 DHN . 1 1 90 90 VAL H H 1 . . 1 1 90 90 VAL N N 15 . 2.644 . . 1.0 . . . . . . . . . . . 16325 1 68 DHN . 1 1 91 91 ASP H H 1 . . 1 1 91 91 ASP N N 15 . 9.526 . . 1.0 . . . . . . . . . . . 16325 1 69 DHN . 1 1 92 92 ASP H H 1 . . 1 1 92 92 ASP N N 15 . 5.846 . . 1.0 . . . . . . . . . . . 16325 1 70 DHN . 1 1 93 93 LEU H H 1 . . 1 1 93 93 LEU N N 15 . -1.106 . . 1.0 . . . . . . . . . . . 16325 1 71 DHN . 1 1 94 94 GLU H H 1 . . 1 1 94 94 GLU N N 15 . -0.772 . . 1.0 . . . . . . . . . . . 16325 1 stop_ save_