data_16801 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16801 _Entry.Title ; Structure of residues 160-235 of putative peptidoglycan binding protein lmo0835 from Listeria monocytogenes: target LmR64B of the Northeast Structural Genomics Consortium ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-29 _Entry.Accession_date 2010-03-29 _Entry.Last_release_date 2012-08-03 _Entry.Original_release_date 2012-08-03 _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 'NMR, 20 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 John Cort . R. . 16801 2 Theresa Ramelot . A. . 16801 3 Dan Lee . . . 16801 4 Colleen Ciccosanti . . . 16801 5 Haleema Janjua . . . 16801 6 Thomas Acton . B. . 16801 7 Rong Xiao . . . 16801 8 John Everett . K. . 16801 9 Gaetano Montelione . T. . 16801 10 Michael Kennedy . A. . 16801 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 16801 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'LPXTG motif' . 16801 'peptidoglycan binding motif' . 16801 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16801 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 321 16801 '15N chemical shifts' 72 16801 '1H chemical shifts' 523 16801 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-08-03 2010-03-29 original author . 16801 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KT7 'another domain from same polypeptide and with a similar fold' 16801 PDB 2KVZ 'BMRB Entry Tracking System' 16801 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16801 _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 'Chemical shift assignments for fragment 160-235 of putative peptidoglycan bound protein lmo0835 from Listeria monocytogenes: target LmR64B of the Northeast Structural Genomics Consortium' _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 John Cort . R. . 16801 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16801 _Assembly.ID 1 _Assembly.Name lmo0835 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 lmo0835 1 $entity A . yes native no no . . . 16801 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16801 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name lmo0835 _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 ; MDFGKPNQVTVNYLDENNTS IAPSLYLSGLFNEAYNVPMK KIKGYTLLKYDSEILGVFTE SPQTINIIYQKKAPEQALEH HHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 85 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9785.122 _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 2KVZ . "Structure Of Residues 161-235 Of Putative Peptidoglycan Bind Protein Lmo0835 From Listeria Monocytogenes: Target Lmr64b Northea" . . . . . 100.00 85 100.00 100.00 1.34e-54 . . . . 16801 1 2 no DBJ GAM91864 . "peptidoglycan-binding protein [Listeria monocytogenes]" . . . . . 89.41 326 98.68 100.00 4.34e-44 . . . . 16801 1 3 no DBJ GAM94621 . "peptidoglycan-binding protein [Listeria monocytogenes]" . . . . . 89.41 348 98.68 100.00 4.63e-44 . . . . 16801 1 4 no EMBL CAC98913 . "putative peptidoglycan bound protein (LPXTG motif) [Listeria monocytogenes EGD-e]" . . . . . 89.41 334 97.37 97.37 3.17e-43 . . . . 16801 1 5 no EMBL CAS04619 . "Putative peptidoglycan bound protein (LPXTG motif) [Listeria monocytogenes serotype 4b str. CLIP 80459]" . . . . . 89.41 334 98.68 100.00 3.87e-44 . . . . 16801 1 6 no EMBL CBY03397 . "cell wall surface anchor family protein (LPXTG motif) [Listeria monocytogenes serotype 7 str. SLCC2482]" . . . . . 89.41 334 98.68 100.00 4.40e-44 . . . . 16801 1 7 no EMBL CBY48425 . "cell wall surface anchor family protein (LPXTG motif) [Listeria monocytogenes SLCC2755]" . . . . . 89.41 334 98.68 100.00 4.40e-44 . . . . 16801 1 8 no EMBL CBY51302 . "cell wall surface anchor family protein (LPXTG motif) [Listeria monocytogenes SLCC5850]" . . . . . 89.41 329 97.37 97.37 3.72e-43 . . . . 16801 1 9 no GB AAT03632 . "cell wall surface anchor family protein [Listeria monocytogenes serotype 4b str. F2365]" . . . . . 89.41 334 98.68 100.00 4.13e-44 . . . . 16801 1 10 no GB ABN80104 . "IspE [Listeria monocytogenes]" . . . . . 89.41 294 98.68 100.00 2.62e-44 . . . . 16801 1 11 no GB AEO05833 . "peptidoglycan bound protein [Listeria monocytogenes 10403S]" . . . . . 89.41 343 97.37 97.37 4.68e-43 . . . . 16801 1 12 no GB AEO25133 . "cell wall surface anchor family protein [Listeria monocytogenes FSL R2-561]" . . . . . 89.41 348 97.37 97.37 3.98e-43 . . . . 16801 1 13 no GB AEO38377 . "cell wall surface anchor family protein [Listeria monocytogenes Finland 1998]" . . . . . 89.41 329 97.37 97.37 3.49e-43 . . . . 16801 1 14 no REF NP_464362 . "peptidoglycan binding protein [Listeria monocytogenes EGD-e]" . . . . . 89.41 334 97.37 97.37 3.17e-43 . . . . 16801 1 15 no REF WP_003733401 . "peptidoglycan-binding protein [Listeria monocytogenes]" . . . . . 89.41 318 98.68 100.00 4.50e-44 . . . . 16801 1 16 no REF WP_003743756 . "peptidoglycan-binding protein [Listeria monocytogenes]" . . . . . 89.41 334 98.68 100.00 4.40e-44 . . . . 16801 1 17 no REF WP_009932757 . "peptidoglycan-binding protein [Listeria monocytogenes]" . . . . . 89.41 318 97.37 97.37 2.93e-43 . . . . 16801 1 18 no REF WP_010958814 . "peptidoglycan-binding protein [Listeria monocytogenes]" . . . . . 89.41 334 98.68 100.00 4.13e-44 . . . . 16801 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'unknown function' 16801 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 . 16801 1 2 . ASP . 16801 1 3 . PHE . 16801 1 4 . GLY . 16801 1 5 . LYS . 16801 1 6 . PRO . 16801 1 7 . ASN . 16801 1 8 . GLN . 16801 1 9 . VAL . 16801 1 10 . THR . 16801 1 11 . VAL . 16801 1 12 . ASN . 16801 1 13 . TYR . 16801 1 14 . LEU . 16801 1 15 . ASP . 16801 1 16 . GLU . 16801 1 17 . ASN . 16801 1 18 . ASN . 16801 1 19 . THR . 16801 1 20 . SER . 16801 1 21 . ILE . 16801 1 22 . ALA . 16801 1 23 . PRO . 16801 1 24 . SER . 16801 1 25 . LEU . 16801 1 26 . TYR . 16801 1 27 . LEU . 16801 1 28 . SER . 16801 1 29 . GLY . 16801 1 30 . LEU . 16801 1 31 . PHE . 16801 1 32 . ASN . 16801 1 33 . GLU . 16801 1 34 . ALA . 16801 1 35 . TYR . 16801 1 36 . ASN . 16801 1 37 . VAL . 16801 1 38 . PRO . 16801 1 39 . MET . 16801 1 40 . LYS . 16801 1 41 . LYS . 16801 1 42 . ILE . 16801 1 43 . LYS . 16801 1 44 . GLY . 16801 1 45 . TYR . 16801 1 46 . THR . 16801 1 47 . LEU . 16801 1 48 . LEU . 16801 1 49 . LYS . 16801 1 50 . TYR . 16801 1 51 . ASP . 16801 1 52 . SER . 16801 1 53 . GLU . 16801 1 54 . ILE . 16801 1 55 . LEU . 16801 1 56 . GLY . 16801 1 57 . VAL . 16801 1 58 . PHE . 16801 1 59 . THR . 16801 1 60 . GLU . 16801 1 61 . SER . 16801 1 62 . PRO . 16801 1 63 . GLN . 16801 1 64 . THR . 16801 1 65 . ILE . 16801 1 66 . ASN . 16801 1 67 . ILE . 16801 1 68 . ILE . 16801 1 69 . TYR . 16801 1 70 . GLN . 16801 1 71 . LYS . 16801 1 72 . LYS . 16801 1 73 . ALA . 16801 1 74 . PRO . 16801 1 75 . GLU . 16801 1 76 . GLN . 16801 1 77 . ALA . 16801 1 78 . LEU . 16801 1 79 . GLU . 16801 1 80 . HIS . 16801 1 81 . HIS . 16801 1 82 . HIS . 16801 1 83 . HIS . 16801 1 84 . HIS . 16801 1 85 . HIS . 16801 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 16801 1 . ASP 2 2 16801 1 . PHE 3 3 16801 1 . GLY 4 4 16801 1 . LYS 5 5 16801 1 . PRO 6 6 16801 1 . ASN 7 7 16801 1 . GLN 8 8 16801 1 . VAL 9 9 16801 1 . THR 10 10 16801 1 . VAL 11 11 16801 1 . ASN 12 12 16801 1 . TYR 13 13 16801 1 . LEU 14 14 16801 1 . ASP 15 15 16801 1 . GLU 16 16 16801 1 . ASN 17 17 16801 1 . ASN 18 18 16801 1 . THR 19 19 16801 1 . SER 20 20 16801 1 . ILE 21 21 16801 1 . ALA 22 22 16801 1 . PRO 23 23 16801 1 . SER 24 24 16801 1 . LEU 25 25 16801 1 . TYR 26 26 16801 1 . LEU 27 27 16801 1 . SER 28 28 16801 1 . GLY 29 29 16801 1 . LEU 30 30 16801 1 . PHE 31 31 16801 1 . ASN 32 32 16801 1 . GLU 33 33 16801 1 . ALA 34 34 16801 1 . TYR 35 35 16801 1 . ASN 36 36 16801 1 . VAL 37 37 16801 1 . PRO 38 38 16801 1 . MET 39 39 16801 1 . LYS 40 40 16801 1 . LYS 41 41 16801 1 . ILE 42 42 16801 1 . LYS 43 43 16801 1 . GLY 44 44 16801 1 . TYR 45 45 16801 1 . THR 46 46 16801 1 . LEU 47 47 16801 1 . LEU 48 48 16801 1 . LYS 49 49 16801 1 . TYR 50 50 16801 1 . ASP 51 51 16801 1 . SER 52 52 16801 1 . GLU 53 53 16801 1 . ILE 54 54 16801 1 . LEU 55 55 16801 1 . GLY 56 56 16801 1 . VAL 57 57 16801 1 . PHE 58 58 16801 1 . THR 59 59 16801 1 . GLU 60 60 16801 1 . SER 61 61 16801 1 . PRO 62 62 16801 1 . GLN 63 63 16801 1 . THR 64 64 16801 1 . ILE 65 65 16801 1 . ASN 66 66 16801 1 . ILE 67 67 16801 1 . ILE 68 68 16801 1 . TYR 69 69 16801 1 . GLN 70 70 16801 1 . LYS 71 71 16801 1 . LYS 72 72 16801 1 . ALA 73 73 16801 1 . PRO 74 74 16801 1 . GLU 75 75 16801 1 . GLN 76 76 16801 1 . ALA 77 77 16801 1 . LEU 78 78 16801 1 . GLU 79 79 16801 1 . HIS 80 80 16801 1 . HIS 81 81 16801 1 . HIS 82 82 16801 1 . HIS 83 83 16801 1 . HIS 84 84 16801 1 . HIS 85 85 16801 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 16801 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 1639 organism . 'Listeria monocytogenes' 'Listeria monocytogenes' . . Bacteria . Listeria monocytogenes . . . . . . . . . . . . . . . . . . . . . 16801 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 16801 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET21-23C . . . . . . 16801 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC _Sample.Sf_category sample _Sample.Sf_framecode NC _Sample.Entry_ID 16801 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 lmo0835 '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 0.92 . . mM . . . . 16801 1 2 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 16801 1 3 'Sodium Acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 16801 1 4 'Calcium Chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 16801 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16801 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16801 1 stop_ save_ save_NC5 _Sample.Sf_category sample _Sample.Sf_framecode NC5 _Sample.Entry_ID 16801 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 lmo0835 '[5% 13C biosynthetically directed lableing, U-99% 15N]' . . 1 $entity . . 0.92 . . mM . . . . 16801 2 2 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 16801 2 3 'Sodium Acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 16801 2 4 'Calcium Chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 16801 2 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16801 2 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16801 2 stop_ save_ save_NC-D2O _Sample.Sf_category sample _Sample.Sf_framecode NC-D2O _Sample.Entry_ID 16801 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 lmo0835 '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 0.92 . . mM . . . . 16801 3 2 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 16801 3 3 'Sodium Acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 16801 3 4 'Calcium Chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 16801 3 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16801 3 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 16801 _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' 125 . mM 16801 1 pH 4.5 . pH 16801 1 pressure 1 . atm 16801 1 temperature 293 . K 16801 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16801 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16801 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16801 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16801 _Software.ID 2 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16801 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16801 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16801 _Software.ID 3 _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' . . 16801 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16801 3 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 16801 _Software.ID 4 _Software.Name AutoStruct _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 16801 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16801 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 16801 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16801 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 16801 _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 . . . 16801 1 2 spectrometer_2 Varian INOVA . 750 . . . 16801 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 16801 _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 $NC isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16801 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16801 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16801 1 4 '3D HNCACB' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16801 1 5 '3D HNCO' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16801 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16801 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16801 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16801 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16801 1 10 '3D C(CO)NH' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16801 1 11 '4D HCCH HMQC-NOESY-HMQC' no . . . . . . . . . . 3 $NC-D2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16801 1 12 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $NC5 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16801 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 16801 _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 . . . . . . . . . 16801 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16801 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16801 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 16801 _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' . . . 16801 1 2 '2D 1H-13C HSQC' . . . 16801 1 3 '3D CBCA(CO)NH' . . . 16801 1 4 '3D HNCACB' . . . 16801 1 5 '3D HNCO' . . . 16801 1 6 '3D HBHA(CO)NH' . . . 16801 1 7 '3D HCCH-TOCSY' . . . 16801 1 8 '3D 1H-15N NOESY' . . . 16801 1 9 '3D 1H-13C NOESY' . . . 16801 1 10 '3D C(CO)NH' . . . 16801 1 11 '4D HCCH HMQC-NOESY-HMQC' . . . 16801 1 12 '2D 1H-13C HSQC' . . . 16801 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 1 $SPARKY . . 16801 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 3.95 0.02 . 1 . . . . 1 MET HA . 16801 1 2 . 1 1 1 1 MET HB2 H 1 1.92 0.02 . 2 . . . . 1 MET HB2 . 16801 1 3 . 1 1 1 1 MET HB3 H 1 1.95 0.02 . 2 . . . . 1 MET HB3 . 16801 1 4 . 1 1 1 1 MET HE1 H 1 1.95 0.02 . 1 . . . . 1 MET HE . 16801 1 5 . 1 1 1 1 MET HE2 H 1 1.95 0.02 . 1 . . . . 1 MET HE . 16801 1 6 . 1 1 1 1 MET HE3 H 1 1.95 0.02 . 1 . . . . 1 MET HE . 16801 1 7 . 1 1 1 1 MET HG2 H 1 2.26 0.02 . 2 . . . . 1 MET HG2 . 16801 1 8 . 1 1 1 1 MET HG3 H 1 2.36 0.02 . 2 . . . . 1 MET HG3 . 16801 1 9 . 1 1 1 1 MET C C 13 171.4 0.2 . 1 . . . . 1 MET C . 16801 1 10 . 1 1 1 1 MET CA C 13 54.9 0.2 . 1 . . . . 1 MET CA . 16801 1 11 . 1 1 1 1 MET CB C 13 32.6 0.2 . 1 . . . . 1 MET CB . 16801 1 12 . 1 1 1 1 MET CE C 13 16.8 0.2 . 1 . . . . 1 MET CE . 16801 1 13 . 1 1 1 1 MET CG C 13 30.8 0.2 . 1 . . . . 1 MET CG . 16801 1 14 . 1 1 2 2 ASP H H 1 8.60 0.02 . 1 . . . . 2 ASP H . 16801 1 15 . 1 1 2 2 ASP HA H 1 4.60 0.02 . 1 . . . . 2 ASP HA . 16801 1 16 . 1 1 2 2 ASP HB2 H 1 2.44 0.02 . 2 . . . . 2 ASP HB2 . 16801 1 17 . 1 1 2 2 ASP HB3 H 1 2.60 0.02 . 2 . . . . 2 ASP HB3 . 16801 1 18 . 1 1 2 2 ASP C C 13 175.2 0.2 . 1 . . . . 2 ASP C . 16801 1 19 . 1 1 2 2 ASP CA C 13 53.7 0.2 . 1 . . . . 2 ASP CA . 16801 1 20 . 1 1 2 2 ASP CB C 13 41.3 0.2 . 1 . . . . 2 ASP CB . 16801 1 21 . 1 1 2 2 ASP N N 15 123.8 0.2 . 1 . . . . 2 ASP N . 16801 1 22 . 1 1 3 3 PHE H H 1 8.43 0.02 . 1 . . . . 3 PHE H . 16801 1 23 . 1 1 3 3 PHE HA H 1 4.51 0.02 . 1 . . . . 3 PHE HA . 16801 1 24 . 1 1 3 3 PHE HB2 H 1 2.89 0.02 . 2 . . . . 3 PHE HB2 . 16801 1 25 . 1 1 3 3 PHE HB3 H 1 3.12 0.02 . 2 . . . . 3 PHE HB3 . 16801 1 26 . 1 1 3 3 PHE HD1 H 1 7.17 0.02 . 3 . . . . 3 PHE HD1 . 16801 1 27 . 1 1 3 3 PHE HE1 H 1 7.25 0.02 . 3 . . . . 3 PHE HE1 . 16801 1 28 . 1 1 3 3 PHE C C 13 176.2 0.2 . 1 . . . . 3 PHE C . 16801 1 29 . 1 1 3 3 PHE CA C 13 58.0 0.2 . 1 . . . . 3 PHE CA . 16801 1 30 . 1 1 3 3 PHE CB C 13 39.5 0.2 . 1 . . . . 3 PHE CB . 16801 1 31 . 1 1 3 3 PHE CD1 C 13 131.8 0.2 . 3 . . . . 3 PHE CD1 . 16801 1 32 . 1 1 3 3 PHE N N 15 121.6 0.2 . 1 . . . . 3 PHE N . 16801 1 33 . 1 1 4 4 GLY H H 1 8.38 0.02 . 1 . . . . 4 GLY H . 16801 1 34 . 1 1 4 4 GLY HA2 H 1 3.79 0.02 . 2 . . . . 4 GLY HA2 . 16801 1 35 . 1 1 4 4 GLY HA3 H 1 3.81 0.02 . 2 . . . . 4 GLY HA3 . 16801 1 36 . 1 1 4 4 GLY C C 13 173.7 0.2 . 1 . . . . 4 GLY C . 16801 1 37 . 1 1 4 4 GLY CA C 13 45.2 0.2 . 1 . . . . 4 GLY CA . 16801 1 38 . 1 1 4 4 GLY N N 15 109.9 0.2 . 1 . . . . 4 GLY N . 16801 1 39 . 1 1 5 5 LYS H H 1 7.96 0.02 . 1 . . . . 5 LYS H . 16801 1 40 . 1 1 5 5 LYS HA H 1 4.55 0.02 . 1 . . . . 5 LYS HA . 16801 1 41 . 1 1 5 5 LYS HB2 H 1 1.64 0.02 . 2 . . . . 5 LYS HB2 . 16801 1 42 . 1 1 5 5 LYS HB3 H 1 1.76 0.02 . 2 . . . . 5 LYS HB3 . 16801 1 43 . 1 1 5 5 LYS HD2 H 1 1.59 0.02 . 2 . . . . 5 LYS HD2 . 16801 1 44 . 1 1 5 5 LYS HD3 H 1 1.63 0.02 . 2 . . . . 5 LYS HD3 . 16801 1 45 . 1 1 5 5 LYS HE2 H 1 2.91 0.02 . 2 . . . . 5 LYS HE2 . 16801 1 46 . 1 1 5 5 LYS HE3 H 1 2.93 0.02 . 2 . . . . 5 LYS HE3 . 16801 1 47 . 1 1 5 5 LYS HG2 H 1 1.35 0.02 . 2 . . . . 5 LYS HG2 . 16801 1 48 . 1 1 5 5 LYS HG3 H 1 1.42 0.02 . 2 . . . . 5 LYS HG3 . 16801 1 49 . 1 1 5 5 LYS CA C 13 54.0 0.2 . 1 . . . . 5 LYS CA . 16801 1 50 . 1 1 5 5 LYS CB C 13 32.5 0.2 . 1 . . . . 5 LYS CB . 16801 1 51 . 1 1 5 5 LYS CD C 13 28.8 0.2 . 1 . . . . 5 LYS CD . 16801 1 52 . 1 1 5 5 LYS CG C 13 24.8 0.2 . 1 . . . . 5 LYS CG . 16801 1 53 . 1 1 5 5 LYS N N 15 121.3 0.2 . 1 . . . . 5 LYS N . 16801 1 54 . 1 1 6 6 PRO HA H 1 4.37 0.02 . 1 . . . . 6 PRO HA . 16801 1 55 . 1 1 6 6 PRO HB2 H 1 1.90 0.02 . 2 . . . . 6 PRO HB2 . 16801 1 56 . 1 1 6 6 PRO HB3 H 1 2.21 0.02 . 2 . . . . 6 PRO HB3 . 16801 1 57 . 1 1 6 6 PRO HD2 H 1 3.59 0.02 . 2 . . . . 6 PRO HD2 . 16801 1 58 . 1 1 6 6 PRO HD3 H 1 3.74 0.02 . 2 . . . . 6 PRO HD3 . 16801 1 59 . 1 1 6 6 PRO HG2 H 1 1.94 0.02 . 2 . . . . 6 PRO HG2 . 16801 1 60 . 1 1 6 6 PRO HG3 H 1 1.97 0.02 . 2 . . . . 6 PRO HG3 . 16801 1 61 . 1 1 6 6 PRO C C 13 176.2 0.2 . 1 . . . . 6 PRO C . 16801 1 62 . 1 1 6 6 PRO CA C 13 63.8 0.2 . 1 . . . . 6 PRO CA . 16801 1 63 . 1 1 6 6 PRO CB C 13 32.1 0.2 . 1 . . . . 6 PRO CB . 16801 1 64 . 1 1 6 6 PRO CD C 13 50.6 0.2 . 1 . . . . 6 PRO CD . 16801 1 65 . 1 1 6 6 PRO CG C 13 27.4 0.2 . 1 . . . . 6 PRO CG . 16801 1 66 . 1 1 7 7 ASN H H 1 8.01 0.02 . 1 . . . . 7 ASN H . 16801 1 67 . 1 1 7 7 ASN HA H 1 4.47 0.02 . 1 . . . . 7 ASN HA . 16801 1 68 . 1 1 7 7 ASN HB2 H 1 2.50 0.02 . 2 . . . . 7 ASN HB2 . 16801 1 69 . 1 1 7 7 ASN HB3 H 1 2.86 0.02 . 2 . . . . 7 ASN HB3 . 16801 1 70 . 1 1 7 7 ASN HD21 H 1 6.66 0.02 . 2 . . . . 7 ASN HD21 . 16801 1 71 . 1 1 7 7 ASN HD22 H 1 7.34 0.02 . 2 . . . . 7 ASN HD22 . 16801 1 72 . 1 1 7 7 ASN C C 13 174.5 0.2 . 1 . . . . 7 ASN C . 16801 1 73 . 1 1 7 7 ASN CA C 13 52.3 0.2 . 1 . . . . 7 ASN CA . 16801 1 74 . 1 1 7 7 ASN CB C 13 38.5 0.2 . 1 . . . . 7 ASN CB . 16801 1 75 . 1 1 7 7 ASN CG C 13 177.7 0.2 . 1 . . . . 7 ASN CG . 16801 1 76 . 1 1 7 7 ASN N N 15 117.8 0.2 . 1 . . . . 7 ASN N . 16801 1 77 . 1 1 7 7 ASN ND2 N 15 108.6 0.2 . 1 . . . . 7 ASN ND2 . 16801 1 78 . 1 1 8 8 GLN H H 1 7.84 0.02 . 1 . . . . 8 GLN H . 16801 1 79 . 1 1 8 8 GLN HA H 1 4.73 0.02 . 1 . . . . 8 GLN HA . 16801 1 80 . 1 1 8 8 GLN HB2 H 1 2.03 0.02 . 2 . . . . 8 GLN HB2 . 16801 1 81 . 1 1 8 8 GLN HB3 H 1 2.08 0.02 . 2 . . . . 8 GLN HB3 . 16801 1 82 . 1 1 8 8 GLN HE21 H 1 6.73 0.02 . 2 . . . . 8 GLN HE21 . 16801 1 83 . 1 1 8 8 GLN HE22 H 1 7.21 0.02 . 2 . . . . 8 GLN HE22 . 16801 1 84 . 1 1 8 8 GLN HG2 H 1 2.26 0.02 . 2 . . . . 8 GLN HG2 . 16801 1 85 . 1 1 8 8 GLN HG3 H 1 2.28 0.02 . 2 . . . . 8 GLN HG3 . 16801 1 86 . 1 1 8 8 GLN C C 13 175.9 0.2 . 1 . . . . 8 GLN C . 16801 1 87 . 1 1 8 8 GLN CA C 13 56.5 0.2 . 1 . . . . 8 GLN CA . 16801 1 88 . 1 1 8 8 GLN CB C 13 31.7 0.2 . 1 . . . . 8 GLN CB . 16801 1 89 . 1 1 8 8 GLN CD C 13 180.1 0.2 . 1 . . . . 8 GLN CD . 16801 1 90 . 1 1 8 8 GLN CG C 13 34.3 0.2 . 1 . . . . 8 GLN CG . 16801 1 91 . 1 1 8 8 GLN N N 15 117.7 0.2 . 1 . . . . 8 GLN N . 16801 1 92 . 1 1 8 8 GLN NE2 N 15 111.5 0.2 . 1 . . . . 8 GLN NE2 . 16801 1 93 . 1 1 9 9 VAL H H 1 8.88 0.02 . 1 . . . . 9 VAL H . 16801 1 94 . 1 1 9 9 VAL HA H 1 4.58 0.02 . 1 . . . . 9 VAL HA . 16801 1 95 . 1 1 9 9 VAL HB H 1 1.45 0.02 . 1 . . . . 9 VAL HB . 16801 1 96 . 1 1 9 9 VAL HG11 H 1 0.32 0.02 . 1 . . . . 9 VAL HG1 . 16801 1 97 . 1 1 9 9 VAL HG12 H 1 0.32 0.02 . 1 . . . . 9 VAL HG1 . 16801 1 98 . 1 1 9 9 VAL HG13 H 1 0.32 0.02 . 1 . . . . 9 VAL HG1 . 16801 1 99 . 1 1 9 9 VAL HG21 H 1 0.15 0.02 . 1 . . . . 9 VAL HG2 . 16801 1 100 . 1 1 9 9 VAL HG22 H 1 0.15 0.02 . 1 . . . . 9 VAL HG2 . 16801 1 101 . 1 1 9 9 VAL HG23 H 1 0.15 0.02 . 1 . . . . 9 VAL HG2 . 16801 1 102 . 1 1 9 9 VAL C C 13 174.9 0.2 . 1 . . . . 9 VAL C . 16801 1 103 . 1 1 9 9 VAL CA C 13 61.1 0.2 . 1 . . . . 9 VAL CA . 16801 1 104 . 1 1 9 9 VAL CB C 13 34.3 0.2 . 1 . . . . 9 VAL CB . 16801 1 105 . 1 1 9 9 VAL CG1 C 13 21.9 0.2 . 1 . . . . 9 VAL CG1 . 16801 1 106 . 1 1 9 9 VAL CG2 C 13 20.0 0.2 . 1 . . . . 9 VAL CG2 . 16801 1 107 . 1 1 9 9 VAL N N 15 126.0 0.2 . 1 . . . . 9 VAL N . 16801 1 108 . 1 1 10 10 THR H H 1 8.68 0.02 . 1 . . . . 10 THR H . 16801 1 109 . 1 1 10 10 THR HA H 1 4.74 0.02 . 1 . . . . 10 THR HA . 16801 1 110 . 1 1 10 10 THR HB H 1 4.01 0.02 . 1 . . . . 10 THR HB . 16801 1 111 . 1 1 10 10 THR HG21 H 1 1.00 0.02 . 1 . . . . 10 THR HG2 . 16801 1 112 . 1 1 10 10 THR HG22 H 1 1.00 0.02 . 1 . . . . 10 THR HG2 . 16801 1 113 . 1 1 10 10 THR HG23 H 1 1.00 0.02 . 1 . . . . 10 THR HG2 . 16801 1 114 . 1 1 10 10 THR C C 13 172.4 0.2 . 1 . . . . 10 THR C . 16801 1 115 . 1 1 10 10 THR CA C 13 62.1 0.2 . 1 . . . . 10 THR CA . 16801 1 116 . 1 1 10 10 THR CB C 13 70.6 0.2 . 1 . . . . 10 THR CB . 16801 1 117 . 1 1 10 10 THR CG2 C 13 21.3 0.2 . 1 . . . . 10 THR CG2 . 16801 1 118 . 1 1 10 10 THR N N 15 125.1 0.2 . 1 . . . . 10 THR N . 16801 1 119 . 1 1 11 11 VAL H H 1 9.17 0.02 . 1 . . . . 11 VAL H . 16801 1 120 . 1 1 11 11 VAL HA H 1 4.68 0.02 . 1 . . . . 11 VAL HA . 16801 1 121 . 1 1 11 11 VAL HB H 1 1.89 0.02 . 1 . . . . 11 VAL HB . 16801 1 122 . 1 1 11 11 VAL HG11 H 1 0.41 0.02 . 1 . . . . 11 VAL HG1 . 16801 1 123 . 1 1 11 11 VAL HG12 H 1 0.41 0.02 . 1 . . . . 11 VAL HG1 . 16801 1 124 . 1 1 11 11 VAL HG13 H 1 0.41 0.02 . 1 . . . . 11 VAL HG1 . 16801 1 125 . 1 1 11 11 VAL HG21 H 1 0.62 0.02 . 1 . . . . 11 VAL HG2 . 16801 1 126 . 1 1 11 11 VAL HG22 H 1 0.62 0.02 . 1 . . . . 11 VAL HG2 . 16801 1 127 . 1 1 11 11 VAL HG23 H 1 0.62 0.02 . 1 . . . . 11 VAL HG2 . 16801 1 128 . 1 1 11 11 VAL C C 13 174.4 0.2 . 1 . . . . 11 VAL C . 16801 1 129 . 1 1 11 11 VAL CA C 13 60.4 0.2 . 1 . . . . 11 VAL CA . 16801 1 130 . 1 1 11 11 VAL CB C 13 33.0 0.2 . 1 . . . . 11 VAL CB . 16801 1 131 . 1 1 11 11 VAL CG1 C 13 21.5 0.2 . 1 . . . . 11 VAL CG1 . 16801 1 132 . 1 1 11 11 VAL CG2 C 13 20.9 0.2 . 1 . . . . 11 VAL CG2 . 16801 1 133 . 1 1 11 11 VAL N N 15 127.6 0.2 . 1 . . . . 11 VAL N . 16801 1 134 . 1 1 12 12 ASN H H 1 8.82 0.02 . 1 . . . . 12 ASN H . 16801 1 135 . 1 1 12 12 ASN HA H 1 4.97 0.02 . 1 . . . . 12 ASN HA . 16801 1 136 . 1 1 12 12 ASN HB2 H 1 2.29 0.02 . 2 . . . . 12 ASN HB2 . 16801 1 137 . 1 1 12 12 ASN HB3 H 1 3.02 0.02 . 2 . . . . 12 ASN HB3 . 16801 1 138 . 1 1 12 12 ASN HD21 H 1 6.98 0.02 . 2 . . . . 12 ASN HD21 . 16801 1 139 . 1 1 12 12 ASN HD22 H 1 7.66 0.02 . 2 . . . . 12 ASN HD22 . 16801 1 140 . 1 1 12 12 ASN C C 13 172.5 0.2 . 1 . . . . 12 ASN C . 16801 1 141 . 1 1 12 12 ASN CA C 13 50.9 0.2 . 1 . . . . 12 ASN CA . 16801 1 142 . 1 1 12 12 ASN CB C 13 40.8 0.2 . 1 . . . . 12 ASN CB . 16801 1 143 . 1 1 12 12 ASN CG C 13 176.6 0.2 . 1 . . . . 12 ASN CG . 16801 1 144 . 1 1 12 12 ASN N N 15 122.4 0.2 . 1 . . . . 12 ASN N . 16801 1 145 . 1 1 12 12 ASN ND2 N 15 116.4 0.2 . 1 . . . . 12 ASN ND2 . 16801 1 146 . 1 1 13 13 TYR H H 1 8.89 0.02 . 1 . . . . 13 TYR H . 16801 1 147 . 1 1 13 13 TYR HA H 1 4.92 0.02 . 1 . . . . 13 TYR HA . 16801 1 148 . 1 1 13 13 TYR HB2 H 1 2.33 0.02 . 2 . . . . 13 TYR HB2 . 16801 1 149 . 1 1 13 13 TYR HB3 H 1 2.65 0.02 . 2 . . . . 13 TYR HB3 . 16801 1 150 . 1 1 13 13 TYR HD1 H 1 7.17 0.02 . 3 . . . . 13 TYR HD1 . 16801 1 151 . 1 1 13 13 TYR HE1 H 1 6.68 0.02 . 3 . . . . 13 TYR HE1 . 16801 1 152 . 1 1 13 13 TYR C C 13 174.3 0.2 . 1 . . . . 13 TYR C . 16801 1 153 . 1 1 13 13 TYR CA C 13 57.4 0.2 . 1 . . . . 13 TYR CA . 16801 1 154 . 1 1 13 13 TYR CB C 13 39.1 0.2 . 1 . . . . 13 TYR CB . 16801 1 155 . 1 1 13 13 TYR CD1 C 13 134.2 0.2 . 3 . . . . 13 TYR CD1 . 16801 1 156 . 1 1 13 13 TYR CE1 C 13 117.8 0.2 . 3 . . . . 13 TYR CE1 . 16801 1 157 . 1 1 13 13 TYR N N 15 122.6 0.2 . 1 . . . . 13 TYR N . 16801 1 158 . 1 1 14 14 LEU H H 1 9.17 0.02 . 1 . . . . 14 LEU H . 16801 1 159 . 1 1 14 14 LEU HA H 1 5.32 0.02 . 1 . . . . 14 LEU HA . 16801 1 160 . 1 1 14 14 LEU HB2 H 1 1.45 0.02 . 2 . . . . 14 LEU HB2 . 16801 1 161 . 1 1 14 14 LEU HB3 H 1 1.81 0.02 . 2 . . . . 14 LEU HB3 . 16801 1 162 . 1 1 14 14 LEU HD11 H 1 0.67 0.02 . 1 . . . . 14 LEU HD1 . 16801 1 163 . 1 1 14 14 LEU HD12 H 1 0.67 0.02 . 1 . . . . 14 LEU HD1 . 16801 1 164 . 1 1 14 14 LEU HD13 H 1 0.67 0.02 . 1 . . . . 14 LEU HD1 . 16801 1 165 . 1 1 14 14 LEU HD21 H 1 0.54 0.02 . 1 . . . . 14 LEU HD2 . 16801 1 166 . 1 1 14 14 LEU HD22 H 1 0.54 0.02 . 1 . . . . 14 LEU HD2 . 16801 1 167 . 1 1 14 14 LEU HD23 H 1 0.54 0.02 . 1 . . . . 14 LEU HD2 . 16801 1 168 . 1 1 14 14 LEU HG H 1 1.30 0.02 . 1 . . . . 14 LEU HG . 16801 1 169 . 1 1 14 14 LEU C C 13 176.3 0.2 . 1 . . . . 14 LEU C . 16801 1 170 . 1 1 14 14 LEU CA C 13 53.0 0.2 . 1 . . . . 14 LEU CA . 16801 1 171 . 1 1 14 14 LEU CB C 13 47.3 0.2 . 1 . . . . 14 LEU CB . 16801 1 172 . 1 1 14 14 LEU CD1 C 13 25.8 0.2 . 1 . . . . 14 LEU CD1 . 16801 1 173 . 1 1 14 14 LEU CD2 C 13 22.9 0.2 . 1 . . . . 14 LEU CD2 . 16801 1 174 . 1 1 14 14 LEU CG C 13 26.7 0.2 . 1 . . . . 14 LEU CG . 16801 1 175 . 1 1 14 14 LEU N N 15 123.6 0.2 . 1 . . . . 14 LEU N . 16801 1 176 . 1 1 15 15 ASP H H 1 8.34 0.02 . 1 . . . . 15 ASP H . 16801 1 177 . 1 1 15 15 ASP HA H 1 5.43 0.02 . 1 . . . . 15 ASP HA . 16801 1 178 . 1 1 15 15 ASP HB2 H 1 2.63 0.02 . 2 . . . . 15 ASP HB2 . 16801 1 179 . 1 1 15 15 ASP HB3 H 1 3.58 0.02 . 2 . . . . 15 ASP HB3 . 16801 1 180 . 1 1 15 15 ASP C C 13 178.5 0.2 . 1 . . . . 15 ASP C . 16801 1 181 . 1 1 15 15 ASP CA C 13 51.9 0.2 . 1 . . . . 15 ASP CA . 16801 1 182 . 1 1 15 15 ASP CB C 13 41.2 0.2 . 1 . . . . 15 ASP CB . 16801 1 183 . 1 1 15 15 ASP N N 15 118.1 0.2 . 1 . . . . 15 ASP N . 16801 1 184 . 1 1 16 16 GLU H H 1 8.40 0.02 . 1 . . . . 16 GLU H . 16801 1 185 . 1 1 16 16 GLU HA H 1 4.06 0.02 . 1 . . . . 16 GLU HA . 16801 1 186 . 1 1 16 16 GLU HB2 H 1 2.02 0.02 . 2 . . . . 16 GLU HB2 . 16801 1 187 . 1 1 16 16 GLU HB3 H 1 2.23 0.02 . 2 . . . . 16 GLU HB3 . 16801 1 188 . 1 1 16 16 GLU HG2 H 1 2.11 0.02 . 2 . . . . 16 GLU HG2 . 16801 1 189 . 1 1 16 16 GLU HG3 H 1 2.58 0.02 . 2 . . . . 16 GLU HG3 . 16801 1 190 . 1 1 16 16 GLU C C 13 176.5 0.2 . 1 . . . . 16 GLU C . 16801 1 191 . 1 1 16 16 GLU CA C 13 58.7 0.2 . 1 . . . . 16 GLU CA . 16801 1 192 . 1 1 16 16 GLU CB C 13 29.7 0.2 . 1 . . . . 16 GLU CB . 16801 1 193 . 1 1 16 16 GLU CG C 13 36.9 0.2 . 1 . . . . 16 GLU CG . 16801 1 194 . 1 1 16 16 GLU N N 15 115.2 0.2 . 1 . . . . 16 GLU N . 16801 1 195 . 1 1 17 17 ASN H H 1 8.33 0.02 . 1 . . . . 17 ASN H . 16801 1 196 . 1 1 17 17 ASN HA H 1 4.90 0.02 . 1 . . . . 17 ASN HA . 16801 1 197 . 1 1 17 17 ASN HB2 H 1 2.74 0.02 . 2 . . . . 17 ASN HB2 . 16801 1 198 . 1 1 17 17 ASN HB3 H 1 2.98 0.02 . 2 . . . . 17 ASN HB3 . 16801 1 199 . 1 1 17 17 ASN HD21 H 1 6.91 0.02 . 2 . . . . 17 ASN HD21 . 16801 1 200 . 1 1 17 17 ASN HD22 H 1 7.73 0.02 . 2 . . . . 17 ASN HD22 . 16801 1 201 . 1 1 17 17 ASN C C 13 174.9 0.2 . 1 . . . . 17 ASN C . 16801 1 202 . 1 1 17 17 ASN CA C 13 52.5 0.2 . 1 . . . . 17 ASN CA . 16801 1 203 . 1 1 17 17 ASN CB C 13 39.2 0.2 . 1 . . . . 17 ASN CB . 16801 1 204 . 1 1 17 17 ASN CG C 13 177.9 0.2 . 1 . . . . 17 ASN CG . 16801 1 205 . 1 1 17 17 ASN N N 15 118.3 0.2 . 1 . . . . 17 ASN N . 16801 1 206 . 1 1 17 17 ASN ND2 N 15 114.3 0.2 . 1 . . . . 17 ASN ND2 . 16801 1 207 . 1 1 18 18 ASN H H 1 8.40 0.02 . 1 . . . . 18 ASN H . 16801 1 208 . 1 1 18 18 ASN HA H 1 4.22 0.02 . 1 . . . . 18 ASN HA . 16801 1 209 . 1 1 18 18 ASN HB2 H 1 2.90 0.02 . 2 . . . . 18 ASN HB2 . 16801 1 210 . 1 1 18 18 ASN HB3 H 1 3.04 0.02 . 2 . . . . 18 ASN HB3 . 16801 1 211 . 1 1 18 18 ASN HD21 H 1 6.68 0.02 . 2 . . . . 18 ASN HD21 . 16801 1 212 . 1 1 18 18 ASN HD22 H 1 7.45 0.02 . 2 . . . . 18 ASN HD22 . 16801 1 213 . 1 1 18 18 ASN C C 13 173.7 0.2 . 1 . . . . 18 ASN C . 16801 1 214 . 1 1 18 18 ASN CA C 13 55.3 0.2 . 1 . . . . 18 ASN CA . 16801 1 215 . 1 1 18 18 ASN CB C 13 37.1 0.2 . 1 . . . . 18 ASN CB . 16801 1 216 . 1 1 18 18 ASN CG C 13 178.1 0.2 . 1 . . . . 18 ASN CG . 16801 1 217 . 1 1 18 18 ASN N N 15 114.1 0.2 . 1 . . . . 18 ASN N . 16801 1 218 . 1 1 18 18 ASN ND2 N 15 112.6 0.2 . 1 . . . . 18 ASN ND2 . 16801 1 219 . 1 1 19 19 THR H H 1 8.31 0.02 . 1 . . . . 19 THR H . 16801 1 220 . 1 1 19 19 THR HA H 1 4.33 0.02 . 1 . . . . 19 THR HA . 16801 1 221 . 1 1 19 19 THR HB H 1 4.10 0.02 . 1 . . . . 19 THR HB . 16801 1 222 . 1 1 19 19 THR HG21 H 1 1.12 0.02 . 1 . . . . 19 THR HG2 . 16801 1 223 . 1 1 19 19 THR HG22 H 1 1.12 0.02 . 1 . . . . 19 THR HG2 . 16801 1 224 . 1 1 19 19 THR HG23 H 1 1.12 0.02 . 1 . . . . 19 THR HG2 . 16801 1 225 . 1 1 19 19 THR C C 13 174.0 0.2 . 1 . . . . 19 THR C . 16801 1 226 . 1 1 19 19 THR CA C 13 61.9 0.2 . 1 . . . . 19 THR CA . 16801 1 227 . 1 1 19 19 THR CB C 13 69.5 0.2 . 1 . . . . 19 THR CB . 16801 1 228 . 1 1 19 19 THR CG2 C 13 21.8 0.2 . 1 . . . . 19 THR CG2 . 16801 1 229 . 1 1 19 19 THR N N 15 116.6 0.2 . 1 . . . . 19 THR N . 16801 1 230 . 1 1 20 20 SER H H 1 8.75 0.02 . 1 . . . . 20 SER H . 16801 1 231 . 1 1 20 20 SER HA H 1 4.77 0.02 . 1 . . . . 20 SER HA . 16801 1 232 . 1 1 20 20 SER HB2 H 1 3.74 0.02 . 2 . . . . 20 SER HB2 . 16801 1 233 . 1 1 20 20 SER HB3 H 1 3.79 0.02 . 2 . . . . 20 SER HB3 . 16801 1 234 . 1 1 20 20 SER C C 13 176.2 0.2 . 1 . . . . 20 SER C . 16801 1 235 . 1 1 20 20 SER CA C 13 59.6 0.2 . 1 . . . . 20 SER CA . 16801 1 236 . 1 1 20 20 SER CB C 13 62.9 0.2 . 1 . . . . 20 SER CB . 16801 1 237 . 1 1 20 20 SER N N 15 120.7 0.2 . 1 . . . . 20 SER N . 16801 1 238 . 1 1 21 21 ILE H H 1 8.65 0.02 . 1 . . . . 21 ILE H . 16801 1 239 . 1 1 21 21 ILE HA H 1 4.28 0.02 . 1 . . . . 21 ILE HA . 16801 1 240 . 1 1 21 21 ILE HB H 1 1.44 0.02 . 1 . . . . 21 ILE HB . 16801 1 241 . 1 1 21 21 ILE HD11 H 1 -0.60 0.02 . 1 . . . . 21 ILE HD1 . 16801 1 242 . 1 1 21 21 ILE HD12 H 1 -0.60 0.02 . 1 . . . . 21 ILE HD1 . 16801 1 243 . 1 1 21 21 ILE HD13 H 1 -0.60 0.02 . 1 . . . . 21 ILE HD1 . 16801 1 244 . 1 1 21 21 ILE HG12 H 1 0.31 0.02 . 2 . . . . 21 ILE HG12 . 16801 1 245 . 1 1 21 21 ILE HG13 H 1 0.36 0.02 . 2 . . . . 21 ILE HG13 . 16801 1 246 . 1 1 21 21 ILE HG21 H 1 0.54 0.02 . 1 . . . . 21 ILE HG2 . 16801 1 247 . 1 1 21 21 ILE HG22 H 1 0.54 0.02 . 1 . . . . 21 ILE HG2 . 16801 1 248 . 1 1 21 21 ILE HG23 H 1 0.54 0.02 . 1 . . . . 21 ILE HG2 . 16801 1 249 . 1 1 21 21 ILE C C 13 174.6 0.2 . 1 . . . . 21 ILE C . 16801 1 250 . 1 1 21 21 ILE CA C 13 60.8 0.2 . 1 . . . . 21 ILE CA . 16801 1 251 . 1 1 21 21 ILE CB C 13 39.3 0.2 . 1 . . . . 21 ILE CB . 16801 1 252 . 1 1 21 21 ILE CD1 C 13 13.2 0.2 . 1 . . . . 21 ILE CD1 . 16801 1 253 . 1 1 21 21 ILE CG1 C 13 24.8 0.2 . 1 . . . . 21 ILE CG1 . 16801 1 254 . 1 1 21 21 ILE CG2 C 13 18.0 0.2 . 1 . . . . 21 ILE CG2 . 16801 1 255 . 1 1 21 21 ILE N N 15 119.3 0.2 . 1 . . . . 21 ILE N . 16801 1 256 . 1 1 22 22 ALA H H 1 7.81 0.02 . 1 . . . . 22 ALA H . 16801 1 257 . 1 1 22 22 ALA HA H 1 4.42 0.02 . 1 . . . . 22 ALA HA . 16801 1 258 . 1 1 22 22 ALA HB1 H 1 0.90 0.02 . 1 . . . . 22 ALA HB . 16801 1 259 . 1 1 22 22 ALA HB2 H 1 0.90 0.02 . 1 . . . . 22 ALA HB . 16801 1 260 . 1 1 22 22 ALA HB3 H 1 0.90 0.02 . 1 . . . . 22 ALA HB . 16801 1 261 . 1 1 22 22 ALA CA C 13 50.7 0.2 . 1 . . . . 22 ALA CA . 16801 1 262 . 1 1 22 22 ALA CB C 13 19.4 0.2 . 1 . . . . 22 ALA CB . 16801 1 263 . 1 1 22 22 ALA N N 15 122.9 0.2 . 1 . . . . 22 ALA N . 16801 1 264 . 1 1 23 23 PRO HA H 1 4.40 0.02 . 1 . . . . 23 PRO HA . 16801 1 265 . 1 1 23 23 PRO HB2 H 1 1.81 0.02 . 2 . . . . 23 PRO HB2 . 16801 1 266 . 1 1 23 23 PRO HB3 H 1 2.40 0.02 . 2 . . . . 23 PRO HB3 . 16801 1 267 . 1 1 23 23 PRO HD2 H 1 3.39 0.02 . 2 . . . . 23 PRO HD2 . 16801 1 268 . 1 1 23 23 PRO HD3 H 1 3.66 0.02 . 2 . . . . 23 PRO HD3 . 16801 1 269 . 1 1 23 23 PRO HG2 H 1 1.90 0.02 . 2 . . . . 23 PRO HG2 . 16801 1 270 . 1 1 23 23 PRO HG3 H 1 2.00 0.02 . 2 . . . . 23 PRO HG3 . 16801 1 271 . 1 1 23 23 PRO C C 13 176.6 0.2 . 1 . . . . 23 PRO C . 16801 1 272 . 1 1 23 23 PRO CA C 13 63.2 0.2 . 1 . . . . 23 PRO CA . 16801 1 273 . 1 1 23 23 PRO CB C 13 32.0 0.2 . 1 . . . . 23 PRO CB . 16801 1 274 . 1 1 23 23 PRO CD C 13 50.5 0.2 . 1 . . . . 23 PRO CD . 16801 1 275 . 1 1 23 23 PRO CG C 13 27.7 0.2 . 1 . . . . 23 PRO CG . 16801 1 276 . 1 1 24 24 SER H H 1 8.60 0.02 . 1 . . . . 24 SER H . 16801 1 277 . 1 1 24 24 SER HA H 1 4.90 0.02 . 1 . . . . 24 SER HA . 16801 1 278 . 1 1 24 24 SER HB2 H 1 3.46 0.02 . 2 . . . . 24 SER HB2 . 16801 1 279 . 1 1 24 24 SER HB3 H 1 3.60 0.02 . 2 . . . . 24 SER HB3 . 16801 1 280 . 1 1 24 24 SER C C 13 172.3 0.2 . 1 . . . . 24 SER C . 16801 1 281 . 1 1 24 24 SER CA C 13 60.2 0.2 . 1 . . . . 24 SER CA . 16801 1 282 . 1 1 24 24 SER CB C 13 63.6 0.2 . 1 . . . . 24 SER CB . 16801 1 283 . 1 1 24 24 SER N N 15 118.0 0.2 . 1 . . . . 24 SER N . 16801 1 284 . 1 1 25 25 LEU H H 1 8.81 0.02 . 1 . . . . 25 LEU H . 16801 1 285 . 1 1 25 25 LEU HA H 1 4.56 0.02 . 1 . . . . 25 LEU HA . 16801 1 286 . 1 1 25 25 LEU HB2 H 1 1.59 0.02 . 2 . . . . 25 LEU HB2 . 16801 1 287 . 1 1 25 25 LEU HB3 H 1 1.64 0.02 . 2 . . . . 25 LEU HB3 . 16801 1 288 . 1 1 25 25 LEU HD11 H 1 0.97 0.02 . 1 . . . . 25 LEU HD1 . 16801 1 289 . 1 1 25 25 LEU HD12 H 1 0.97 0.02 . 1 . . . . 25 LEU HD1 . 16801 1 290 . 1 1 25 25 LEU HD13 H 1 0.97 0.02 . 1 . . . . 25 LEU HD1 . 16801 1 291 . 1 1 25 25 LEU HD21 H 1 0.91 0.02 . 1 . . . . 25 LEU HD2 . 16801 1 292 . 1 1 25 25 LEU HD22 H 1 0.91 0.02 . 1 . . . . 25 LEU HD2 . 16801 1 293 . 1 1 25 25 LEU HD23 H 1 0.91 0.02 . 1 . . . . 25 LEU HD2 . 16801 1 294 . 1 1 25 25 LEU HG H 1 1.58 0.02 . 1 . . . . 25 LEU HG . 16801 1 295 . 1 1 25 25 LEU C C 13 174.1 0.2 . 1 . . . . 25 LEU C . 16801 1 296 . 1 1 25 25 LEU CA C 13 53.4 0.2 . 1 . . . . 25 LEU CA . 16801 1 297 . 1 1 25 25 LEU CB C 13 45.7 0.2 . 1 . . . . 25 LEU CB . 16801 1 298 . 1 1 25 25 LEU CD1 C 13 24.5 0.2 . 1 . . . . 25 LEU CD1 . 16801 1 299 . 1 1 25 25 LEU CD2 C 13 25.3 0.2 . 1 . . . . 25 LEU CD2 . 16801 1 300 . 1 1 25 25 LEU CG C 13 27.4 0.2 . 1 . . . . 25 LEU CG . 16801 1 301 . 1 1 25 25 LEU N N 15 123.8 0.2 . 1 . . . . 25 LEU N . 16801 1 302 . 1 1 26 26 TYR H H 1 8.32 0.02 . 1 . . . . 26 TYR H . 16801 1 303 . 1 1 26 26 TYR HA H 1 5.23 0.02 . 1 . . . . 26 TYR HA . 16801 1 304 . 1 1 26 26 TYR HB2 H 1 2.74 0.02 . 2 . . . . 26 TYR HB2 . 16801 1 305 . 1 1 26 26 TYR HB3 H 1 2.82 0.02 . 2 . . . . 26 TYR HB3 . 16801 1 306 . 1 1 26 26 TYR HD1 H 1 7.05 0.02 . 3 . . . . 26 TYR HD1 . 16801 1 307 . 1 1 26 26 TYR HE1 H 1 6.72 0.02 . 3 . . . . 26 TYR HE1 . 16801 1 308 . 1 1 26 26 TYR C C 13 175.8 0.2 . 1 . . . . 26 TYR C . 16801 1 309 . 1 1 26 26 TYR CA C 13 56.2 0.2 . 1 . . . . 26 TYR CA . 16801 1 310 . 1 1 26 26 TYR CB C 13 39.3 0.2 . 1 . . . . 26 TYR CB . 16801 1 311 . 1 1 26 26 TYR CD1 C 13 133.8 0.2 . 3 . . . . 26 TYR CD1 . 16801 1 312 . 1 1 26 26 TYR CE1 C 13 118.1 0.2 . 3 . . . . 26 TYR CE1 . 16801 1 313 . 1 1 26 26 TYR N N 15 121.9 0.2 . 1 . . . . 26 TYR N . 16801 1 314 . 1 1 27 27 LEU H H 1 9.38 0.02 . 1 . . . . 27 LEU H . 16801 1 315 . 1 1 27 27 LEU HA H 1 4.87 0.02 . 1 . . . . 27 LEU HA . 16801 1 316 . 1 1 27 27 LEU HB2 H 1 1.59 0.02 . 2 . . . . 27 LEU HB2 . 16801 1 317 . 1 1 27 27 LEU HB3 H 1 1.62 0.02 . 2 . . . . 27 LEU HB3 . 16801 1 318 . 1 1 27 27 LEU HD11 H 1 0.52 0.02 . 1 . . . . 27 LEU HD1 . 16801 1 319 . 1 1 27 27 LEU HD12 H 1 0.52 0.02 . 1 . . . . 27 LEU HD1 . 16801 1 320 . 1 1 27 27 LEU HD13 H 1 0.52 0.02 . 1 . . . . 27 LEU HD1 . 16801 1 321 . 1 1 27 27 LEU HD21 H 1 0.88 0.02 . 1 . . . . 27 LEU HD2 . 16801 1 322 . 1 1 27 27 LEU HD22 H 1 0.88 0.02 . 1 . . . . 27 LEU HD2 . 16801 1 323 . 1 1 27 27 LEU HD23 H 1 0.88 0.02 . 1 . . . . 27 LEU HD2 . 16801 1 324 . 1 1 27 27 LEU HG H 1 1.43 0.02 . 1 . . . . 27 LEU HG . 16801 1 325 . 1 1 27 27 LEU C C 13 175.9 0.2 . 1 . . . . 27 LEU C . 16801 1 326 . 1 1 27 27 LEU CA C 13 53.6 0.2 . 1 . . . . 27 LEU CA . 16801 1 327 . 1 1 27 27 LEU CB C 13 44.1 0.2 . 1 . . . . 27 LEU CB . 16801 1 328 . 1 1 27 27 LEU CD1 C 13 25.4 0.2 . 1 . . . . 27 LEU CD1 . 16801 1 329 . 1 1 27 27 LEU CD2 C 13 23.4 0.2 . 1 . . . . 27 LEU CD2 . 16801 1 330 . 1 1 27 27 LEU CG C 13 27.0 0.2 . 1 . . . . 27 LEU CG . 16801 1 331 . 1 1 27 27 LEU N N 15 124.8 0.2 . 1 . . . . 27 LEU N . 16801 1 332 . 1 1 28 28 SER H H 1 8.45 0.02 . 1 . . . . 28 SER H . 16801 1 333 . 1 1 28 28 SER HA H 1 4.85 0.02 . 1 . . . . 28 SER HA . 16801 1 334 . 1 1 28 28 SER HB2 H 1 3.58 0.02 . 2 . . . . 28 SER HB2 . 16801 1 335 . 1 1 28 28 SER HB3 H 1 3.63 0.02 . 2 . . . . 28 SER HB3 . 16801 1 336 . 1 1 28 28 SER C C 13 172.8 0.2 . 1 . . . . 28 SER C . 16801 1 337 . 1 1 28 28 SER CA C 13 57.0 0.2 . 1 . . . . 28 SER CA . 16801 1 338 . 1 1 28 28 SER CB C 13 65.7 0.2 . 1 . . . . 28 SER CB . 16801 1 339 . 1 1 28 28 SER N N 15 115.7 0.2 . 1 . . . . 28 SER N . 16801 1 340 . 1 1 29 29 GLY H H 1 7.04 0.02 . 1 . . . . 29 GLY H . 16801 1 341 . 1 1 29 29 GLY HA2 H 1 2.76 0.02 . 2 . . . . 29 GLY HA2 . 16801 1 342 . 1 1 29 29 GLY HA3 H 1 3.66 0.02 . 2 . . . . 29 GLY HA3 . 16801 1 343 . 1 1 29 29 GLY C C 13 170.9 0.2 . 1 . . . . 29 GLY C . 16801 1 344 . 1 1 29 29 GLY CA C 13 44.9 0.2 . 1 . . . . 29 GLY CA . 16801 1 345 . 1 1 29 29 GLY N N 15 110.9 0.2 . 1 . . . . 29 GLY N . 16801 1 346 . 1 1 30 30 LEU H H 1 7.92 0.02 . 1 . . . . 30 LEU H . 16801 1 347 . 1 1 30 30 LEU HA H 1 4.29 0.02 . 1 . . . . 30 LEU HA . 16801 1 348 . 1 1 30 30 LEU HB2 H 1 1.43 0.02 . 2 . . . . 30 LEU HB2 . 16801 1 349 . 1 1 30 30 LEU HB3 H 1 1.49 0.02 . 2 . . . . 30 LEU HB3 . 16801 1 350 . 1 1 30 30 LEU HD11 H 1 0.84 0.02 . 1 . . . . 30 LEU HD1 . 16801 1 351 . 1 1 30 30 LEU HD12 H 1 0.84 0.02 . 1 . . . . 30 LEU HD1 . 16801 1 352 . 1 1 30 30 LEU HD13 H 1 0.84 0.02 . 1 . . . . 30 LEU HD1 . 16801 1 353 . 1 1 30 30 LEU HD21 H 1 0.76 0.02 . 1 . . . . 30 LEU HD2 . 16801 1 354 . 1 1 30 30 LEU HD22 H 1 0.76 0.02 . 1 . . . . 30 LEU HD2 . 16801 1 355 . 1 1 30 30 LEU HD23 H 1 0.76 0.02 . 1 . . . . 30 LEU HD2 . 16801 1 356 . 1 1 30 30 LEU HG H 1 1.58 0.02 . 1 . . . . 30 LEU HG . 16801 1 357 . 1 1 30 30 LEU C C 13 176.2 0.2 . 1 . . . . 30 LEU C . 16801 1 358 . 1 1 30 30 LEU CA C 13 53.5 0.2 . 1 . . . . 30 LEU CA . 16801 1 359 . 1 1 30 30 LEU CB C 13 43.1 0.2 . 1 . . . . 30 LEU CB . 16801 1 360 . 1 1 30 30 LEU CD1 C 13 25.1 0.2 . 1 . . . . 30 LEU CD1 . 16801 1 361 . 1 1 30 30 LEU CD2 C 13 22.8 0.2 . 1 . . . . 30 LEU CD2 . 16801 1 362 . 1 1 30 30 LEU CG C 13 26.9 0.2 . 1 . . . . 30 LEU CG . 16801 1 363 . 1 1 30 30 LEU N N 15 119.7 0.2 . 1 . . . . 30 LEU N . 16801 1 364 . 1 1 31 31 PHE H H 1 8.30 0.02 . 1 . . . . 31 PHE H . 16801 1 365 . 1 1 31 31 PHE HA H 1 3.87 0.02 . 1 . . . . 31 PHE HA . 16801 1 366 . 1 1 31 31 PHE HB2 H 1 2.77 0.02 . 2 . . . . 31 PHE HB2 . 16801 1 367 . 1 1 31 31 PHE HB3 H 1 3.14 0.02 . 2 . . . . 31 PHE HB3 . 16801 1 368 . 1 1 31 31 PHE HD1 H 1 7.08 0.02 . 3 . . . . 31 PHE HD1 . 16801 1 369 . 1 1 31 31 PHE HE1 H 1 7.36 0.02 . 3 . . . . 31 PHE HE1 . 16801 1 370 . 1 1 31 31 PHE C C 13 176.2 0.2 . 1 . . . . 31 PHE C . 16801 1 371 . 1 1 31 31 PHE CA C 13 59.4 0.2 . 1 . . . . 31 PHE CA . 16801 1 372 . 1 1 31 31 PHE CB C 13 39.2 0.2 . 1 . . . . 31 PHE CB . 16801 1 373 . 1 1 31 31 PHE CD1 C 13 131.5 0.2 . 3 . . . . 31 PHE CD1 . 16801 1 374 . 1 1 31 31 PHE CE1 C 13 131.6 0.2 . 3 . . . . 31 PHE CE1 . 16801 1 375 . 1 1 31 31 PHE N N 15 119.6 0.2 . 1 . . . . 31 PHE N . 16801 1 376 . 1 1 32 32 ASN H H 1 8.21 0.02 . 1 . . . . 32 ASN H . 16801 1 377 . 1 1 32 32 ASN HA H 1 3.99 0.02 . 1 . . . . 32 ASN HA . 16801 1 378 . 1 1 32 32 ASN HB2 H 1 2.37 0.02 . 2 . . . . 32 ASN HB2 . 16801 1 379 . 1 1 32 32 ASN HB3 H 1 2.85 0.02 . 2 . . . . 32 ASN HB3 . 16801 1 380 . 1 1 32 32 ASN HD21 H 1 6.48 0.02 . 2 . . . . 32 ASN HD21 . 16801 1 381 . 1 1 32 32 ASN HD22 H 1 7.33 0.02 . 2 . . . . 32 ASN HD22 . 16801 1 382 . 1 1 32 32 ASN C C 13 174.5 0.2 . 1 . . . . 32 ASN C . 16801 1 383 . 1 1 32 32 ASN CA C 13 54.6 0.2 . 1 . . . . 32 ASN CA . 16801 1 384 . 1 1 32 32 ASN CB C 13 37.9 0.2 . 1 . . . . 32 ASN CB . 16801 1 385 . 1 1 32 32 ASN CG C 13 177.3 0.2 . 1 . . . . 32 ASN CG . 16801 1 386 . 1 1 32 32 ASN N N 15 120.9 0.2 . 1 . . . . 32 ASN N . 16801 1 387 . 1 1 32 32 ASN ND2 N 15 111.0 0.2 . 1 . . . . 32 ASN ND2 . 16801 1 388 . 1 1 33 33 GLU H H 1 8.40 0.02 . 1 . . . . 33 GLU H . 16801 1 389 . 1 1 33 33 GLU HA H 1 4.39 0.02 . 1 . . . . 33 GLU HA . 16801 1 390 . 1 1 33 33 GLU HB2 H 1 2.28 0.02 . 2 . . . . 33 GLU HB2 . 16801 1 391 . 1 1 33 33 GLU HB3 H 1 2.38 0.02 . 2 . . . . 33 GLU HB3 . 16801 1 392 . 1 1 33 33 GLU HG2 H 1 2.46 0.02 . 2 . . . . 33 GLU HG2 . 16801 1 393 . 1 1 33 33 GLU HG3 H 1 2.51 0.02 . 2 . . . . 33 GLU HG3 . 16801 1 394 . 1 1 33 33 GLU C C 13 174.9 0.2 . 1 . . . . 33 GLU C . 16801 1 395 . 1 1 33 33 GLU CA C 13 56.1 0.2 . 1 . . . . 33 GLU CA . 16801 1 396 . 1 1 33 33 GLU CB C 13 29.5 0.2 . 1 . . . . 33 GLU CB . 16801 1 397 . 1 1 33 33 GLU CG C 13 33.7 0.2 . 1 . . . . 33 GLU CG . 16801 1 398 . 1 1 33 33 GLU N N 15 120.6 0.2 . 1 . . . . 33 GLU N . 16801 1 399 . 1 1 34 34 ALA H H 1 8.40 0.02 . 1 . . . . 34 ALA H . 16801 1 400 . 1 1 34 34 ALA HA H 1 4.79 0.02 . 1 . . . . 34 ALA HA . 16801 1 401 . 1 1 34 34 ALA HB1 H 1 1.29 0.02 . 1 . . . . 34 ALA HB . 16801 1 402 . 1 1 34 34 ALA HB2 H 1 1.29 0.02 . 1 . . . . 34 ALA HB . 16801 1 403 . 1 1 34 34 ALA HB3 H 1 1.29 0.02 . 1 . . . . 34 ALA HB . 16801 1 404 . 1 1 34 34 ALA CA C 13 51.9 0.2 . 1 . . . . 34 ALA CA . 16801 1 405 . 1 1 34 34 ALA CB C 13 20.3 0.2 . 1 . . . . 34 ALA CB . 16801 1 406 . 1 1 34 34 ALA N N 15 124.6 0.2 . 1 . . . . 34 ALA N . 16801 1 407 . 1 1 35 35 TYR HA H 1 4.81 0.02 . 1 . . . . 35 TYR HA . 16801 1 408 . 1 1 35 35 TYR HB2 H 1 2.50 0.02 . 2 . . . . 35 TYR HB2 . 16801 1 409 . 1 1 35 35 TYR HB3 H 1 2.73 0.02 . 2 . . . . 35 TYR HB3 . 16801 1 410 . 1 1 35 35 TYR HD1 H 1 5.66 0.02 . 3 . . . . 35 TYR HD1 . 16801 1 411 . 1 1 35 35 TYR HE1 H 1 5.95 0.02 . 3 . . . . 35 TYR HE1 . 16801 1 412 . 1 1 35 35 TYR CA C 13 55.4 0.2 . 1 . . . . 35 TYR CA . 16801 1 413 . 1 1 35 35 TYR CB C 13 40.9 0.2 . 1 . . . . 35 TYR CB . 16801 1 414 . 1 1 35 35 TYR CD1 C 13 132.9 0.2 . 3 . . . . 35 TYR CD1 . 16801 1 415 . 1 1 35 35 TYR CE1 C 13 118.0 0.2 . 3 . . . . 35 TYR CE1 . 16801 1 416 . 1 1 36 36 ASN HA H 1 5.02 0.02 . 1 . . . . 36 ASN HA . 16801 1 417 . 1 1 36 36 ASN HB2 H 1 2.45 0.02 . 2 . . . . 36 ASN HB2 . 16801 1 418 . 1 1 36 36 ASN HB3 H 1 2.53 0.02 . 2 . . . . 36 ASN HB3 . 16801 1 419 . 1 1 36 36 ASN C C 13 174.0 0.2 . 1 . . . . 36 ASN C . 16801 1 420 . 1 1 36 36 ASN CA C 13 51.8 0.2 . 1 . . . . 36 ASN CA . 16801 1 421 . 1 1 36 36 ASN CB C 13 41.2 0.2 . 1 . . . . 36 ASN CB . 16801 1 422 . 1 1 37 37 VAL H H 1 8.84 0.02 . 1 . . . . 37 VAL H . 16801 1 423 . 1 1 37 37 VAL HA H 1 4.15 0.02 . 1 . . . . 37 VAL HA . 16801 1 424 . 1 1 37 37 VAL HB H 1 2.04 0.02 . 1 . . . . 37 VAL HB . 16801 1 425 . 1 1 37 37 VAL HG11 H 1 0.83 0.02 . 1 . . . . 37 VAL HG1 . 16801 1 426 . 1 1 37 37 VAL HG12 H 1 0.83 0.02 . 1 . . . . 37 VAL HG1 . 16801 1 427 . 1 1 37 37 VAL HG13 H 1 0.83 0.02 . 1 . . . . 37 VAL HG1 . 16801 1 428 . 1 1 37 37 VAL HG21 H 1 0.88 0.02 . 1 . . . . 37 VAL HG2 . 16801 1 429 . 1 1 37 37 VAL HG22 H 1 0.88 0.02 . 1 . . . . 37 VAL HG2 . 16801 1 430 . 1 1 37 37 VAL HG23 H 1 0.88 0.02 . 1 . . . . 37 VAL HG2 . 16801 1 431 . 1 1 37 37 VAL CA C 13 60.3 0.2 . 1 . . . . 37 VAL CA . 16801 1 432 . 1 1 37 37 VAL CB C 13 33.3 0.2 . 1 . . . . 37 VAL CB . 16801 1 433 . 1 1 37 37 VAL CG1 C 13 21.9 0.2 . 1 . . . . 37 VAL CG1 . 16801 1 434 . 1 1 37 37 VAL CG2 C 13 22.4 0.2 . 1 . . . . 37 VAL CG2 . 16801 1 435 . 1 1 37 37 VAL N N 15 124.7 0.2 . 1 . . . . 37 VAL N . 16801 1 436 . 1 1 38 38 PRO HA H 1 4.48 0.02 . 1 . . . . 38 PRO HA . 16801 1 437 . 1 1 38 38 PRO HB2 H 1 1.84 0.02 . 2 . . . . 38 PRO HB2 . 16801 1 438 . 1 1 38 38 PRO HB3 H 1 2.22 0.02 . 2 . . . . 38 PRO HB3 . 16801 1 439 . 1 1 38 38 PRO HD2 H 1 3.51 0.02 . 2 . . . . 38 PRO HD2 . 16801 1 440 . 1 1 38 38 PRO HD3 H 1 4.09 0.02 . 2 . . . . 38 PRO HD3 . 16801 1 441 . 1 1 38 38 PRO HG2 H 1 1.91 0.02 . 2 . . . . 38 PRO HG2 . 16801 1 442 . 1 1 38 38 PRO HG3 H 1 2.10 0.02 . 2 . . . . 38 PRO HG3 . 16801 1 443 . 1 1 38 38 PRO CA C 13 62.2 0.2 . 1 . . . . 38 PRO CA . 16801 1 444 . 1 1 38 38 PRO CB C 13 31.8 0.2 . 1 . . . . 38 PRO CB . 16801 1 445 . 1 1 38 38 PRO CD C 13 51.2 0.2 . 1 . . . . 38 PRO CD . 16801 1 446 . 1 1 38 38 PRO CG C 13 27.5 0.2 . 1 . . . . 38 PRO CG . 16801 1 447 . 1 1 39 39 MET H H 1 8.75 0.02 . 1 . . . . 39 MET H . 16801 1 448 . 1 1 39 39 MET HA H 1 4.57 0.02 . 1 . . . . 39 MET HA . 16801 1 449 . 1 1 39 39 MET HB2 H 1 1.81 0.02 . 2 . . . . 39 MET HB2 . 16801 1 450 . 1 1 39 39 MET HB3 H 1 2.07 0.02 . 2 . . . . 39 MET HB3 . 16801 1 451 . 1 1 39 39 MET HE1 H 1 1.90 0.02 . 1 . . . . 39 MET HE . 16801 1 452 . 1 1 39 39 MET HE2 H 1 1.90 0.02 . 1 . . . . 39 MET HE . 16801 1 453 . 1 1 39 39 MET HE3 H 1 1.90 0.02 . 1 . . . . 39 MET HE . 16801 1 454 . 1 1 39 39 MET HG2 H 1 2.43 0.02 . 2 . . . . 39 MET HG2 . 16801 1 455 . 1 1 39 39 MET HG3 H 1 2.62 0.02 . 2 . . . . 39 MET HG3 . 16801 1 456 . 1 1 39 39 MET CB C 13 31.8 0.2 . 1 . . . . 39 MET CB . 16801 1 457 . 1 1 39 39 MET CE C 13 18.0 0.2 . 1 . . . . 39 MET CE . 16801 1 458 . 1 1 39 39 MET CG C 13 32.1 0.2 . 1 . . . . 39 MET CG . 16801 1 459 . 1 1 39 39 MET N N 15 125.4 0.2 . 1 . . . . 39 MET N . 16801 1 460 . 1 1 40 40 LYS HA H 1 4.21 0.02 . 1 . . . . 40 LYS HA . 16801 1 461 . 1 1 40 40 LYS HB2 H 1 1.25 0.02 . 2 . . . . 40 LYS HB2 . 16801 1 462 . 1 1 40 40 LYS HB3 H 1 1.34 0.02 . 2 . . . . 40 LYS HB3 . 16801 1 463 . 1 1 40 40 LYS HD2 H 1 0.39 0.02 . 2 . . . . 40 LYS HD2 . 16801 1 464 . 1 1 40 40 LYS HD3 H 1 0.89 0.02 . 2 . . . . 40 LYS HD3 . 16801 1 465 . 1 1 40 40 LYS HE2 H 1 2.49 0.02 . 2 . . . . 40 LYS HE2 . 16801 1 466 . 1 1 40 40 LYS HE3 H 1 2.51 0.02 . 2 . . . . 40 LYS HE3 . 16801 1 467 . 1 1 40 40 LYS HG2 H 1 0.90 0.02 . 2 . . . . 40 LYS HG2 . 16801 1 468 . 1 1 40 40 LYS HG3 H 1 0.92 0.02 . 2 . . . . 40 LYS HG3 . 16801 1 469 . 1 1 40 40 LYS C C 13 176.3 0.2 . 1 . . . . 40 LYS C . 16801 1 470 . 1 1 40 40 LYS CA C 13 56.4 0.2 . 1 . . . . 40 LYS CA . 16801 1 471 . 1 1 40 40 LYS CB C 13 34.3 0.2 . 1 . . . . 40 LYS CB . 16801 1 472 . 1 1 40 40 LYS CD C 13 28.8 0.2 . 1 . . . . 40 LYS CD . 16801 1 473 . 1 1 40 40 LYS CE C 13 41.9 0.2 . 1 . . . . 40 LYS CE . 16801 1 474 . 1 1 40 40 LYS CG C 13 25.1 0.2 . 1 . . . . 40 LYS CG . 16801 1 475 . 1 1 41 41 LYS H H 1 8.72 0.02 . 1 . . . . 41 LYS H . 16801 1 476 . 1 1 41 41 LYS HA H 1 4.50 0.02 . 1 . . . . 41 LYS HA . 16801 1 477 . 1 1 41 41 LYS HB2 H 1 1.69 0.02 . 2 . . . . 41 LYS HB2 . 16801 1 478 . 1 1 41 41 LYS HB3 H 1 1.74 0.02 . 2 . . . . 41 LYS HB3 . 16801 1 479 . 1 1 41 41 LYS HD2 H 1 1.68 0.02 . 2 . . . . 41 LYS HD2 . 16801 1 480 . 1 1 41 41 LYS HD3 H 1 1.67 0.02 . 2 . . . . 41 LYS HD3 . 16801 1 481 . 1 1 41 41 LYS HG2 H 1 1.34 0.02 . 2 . . . . 41 LYS HG2 . 16801 1 482 . 1 1 41 41 LYS HG3 H 1 1.47 0.02 . 2 . . . . 41 LYS HG3 . 16801 1 483 . 1 1 41 41 LYS C C 13 175.6 0.2 . 1 . . . . 41 LYS C . 16801 1 484 . 1 1 41 41 LYS CA C 13 56.1 0.2 . 1 . . . . 41 LYS CA . 16801 1 485 . 1 1 41 41 LYS CB C 13 32.5 0.2 . 1 . . . . 41 LYS CB . 16801 1 486 . 1 1 41 41 LYS CD C 13 29.2 0.2 . 1 . . . . 41 LYS CD . 16801 1 487 . 1 1 41 41 LYS CG C 13 25.0 0.2 . 1 . . . . 41 LYS CG . 16801 1 488 . 1 1 41 41 LYS N N 15 126.7 0.2 . 1 . . . . 41 LYS N . 16801 1 489 . 1 1 42 42 ILE H H 1 9.10 0.02 . 1 . . . . 42 ILE H . 16801 1 490 . 1 1 42 42 ILE HA H 1 3.99 0.02 . 1 . . . . 42 ILE HA . 16801 1 491 . 1 1 42 42 ILE HB H 1 1.00 0.02 . 1 . . . . 42 ILE HB . 16801 1 492 . 1 1 42 42 ILE HD11 H 1 -0.36 0.02 . 1 . . . . 42 ILE HD1 . 16801 1 493 . 1 1 42 42 ILE HD12 H 1 -0.36 0.02 . 1 . . . . 42 ILE HD1 . 16801 1 494 . 1 1 42 42 ILE HD13 H 1 -0.36 0.02 . 1 . . . . 42 ILE HD1 . 16801 1 495 . 1 1 42 42 ILE HG12 H 1 0.28 0.02 . 2 . . . . 42 ILE HG12 . 16801 1 496 . 1 1 42 42 ILE HG13 H 1 0.85 0.02 . 2 . . . . 42 ILE HG13 . 16801 1 497 . 1 1 42 42 ILE HG21 H 1 0.52 0.02 . 1 . . . . 42 ILE HG2 . 16801 1 498 . 1 1 42 42 ILE HG22 H 1 0.52 0.02 . 1 . . . . 42 ILE HG2 . 16801 1 499 . 1 1 42 42 ILE HG23 H 1 0.52 0.02 . 1 . . . . 42 ILE HG2 . 16801 1 500 . 1 1 42 42 ILE C C 13 175.2 0.2 . 1 . . . . 42 ILE C . 16801 1 501 . 1 1 42 42 ILE CA C 13 60.7 0.2 . 1 . . . . 42 ILE CA . 16801 1 502 . 1 1 42 42 ILE CB C 13 39.5 0.2 . 1 . . . . 42 ILE CB . 16801 1 503 . 1 1 42 42 ILE CD1 C 13 12.8 0.2 . 1 . . . . 42 ILE CD1 . 16801 1 504 . 1 1 42 42 ILE CG1 C 13 27.4 0.2 . 1 . . . . 42 ILE CG1 . 16801 1 505 . 1 1 42 42 ILE CG2 C 13 17.3 0.2 . 1 . . . . 42 ILE CG2 . 16801 1 506 . 1 1 42 42 ILE N N 15 128.6 0.2 . 1 . . . . 42 ILE N . 16801 1 507 . 1 1 43 43 LYS H H 1 8.55 0.02 . 1 . . . . 43 LYS H . 16801 1 508 . 1 1 43 43 LYS HA H 1 4.04 0.02 . 1 . . . . 43 LYS HA . 16801 1 509 . 1 1 43 43 LYS HB2 H 1 1.71 0.02 . 2 . . . . 43 LYS HB2 . 16801 1 510 . 1 1 43 43 LYS HB3 H 1 1.80 0.02 . 2 . . . . 43 LYS HB3 . 16801 1 511 . 1 1 43 43 LYS HD2 H 1 1.66 0.02 . 2 . . . . 43 LYS HD2 . 16801 1 512 . 1 1 43 43 LYS HD3 H 1 1.68 0.02 . 2 . . . . 43 LYS HD3 . 16801 1 513 . 1 1 43 43 LYS HE2 H 1 2.96 0.02 . 2 . . . . 43 LYS HE2 . 16801 1 514 . 1 1 43 43 LYS HE3 H 1 2.98 0.02 . 2 . . . . 43 LYS HE3 . 16801 1 515 . 1 1 43 43 LYS HG2 H 1 1.34 0.02 . 2 . . . . 43 LYS HG2 . 16801 1 516 . 1 1 43 43 LYS HG3 H 1 1.48 0.02 . 2 . . . . 43 LYS HG3 . 16801 1 517 . 1 1 43 43 LYS C C 13 177.6 0.2 . 1 . . . . 43 LYS C . 16801 1 518 . 1 1 43 43 LYS CA C 13 58.7 0.2 . 1 . . . . 43 LYS CA . 16801 1 519 . 1 1 43 43 LYS CB C 13 32.3 0.2 . 1 . . . . 43 LYS CB . 16801 1 520 . 1 1 43 43 LYS CD C 13 29.5 0.2 . 1 . . . . 43 LYS CD . 16801 1 521 . 1 1 43 43 LYS CE C 13 41.9 0.2 . 1 . . . . 43 LYS CE . 16801 1 522 . 1 1 43 43 LYS CG C 13 24.7 0.2 . 1 . . . . 43 LYS CG . 16801 1 523 . 1 1 43 43 LYS N N 15 129.2 0.2 . 1 . . . . 43 LYS N . 16801 1 524 . 1 1 44 44 GLY H H 1 9.02 0.02 . 1 . . . . 44 GLY H . 16801 1 525 . 1 1 44 44 GLY HA2 H 1 3.54 0.02 . 2 . . . . 44 GLY HA2 . 16801 1 526 . 1 1 44 44 GLY HA3 H 1 4.19 0.02 . 2 . . . . 44 GLY HA3 . 16801 1 527 . 1 1 44 44 GLY C C 13 173.8 0.2 . 1 . . . . 44 GLY C . 16801 1 528 . 1 1 44 44 GLY CA C 13 45.0 0.2 . 1 . . . . 44 GLY CA . 16801 1 529 . 1 1 44 44 GLY N N 15 112.9 0.2 . 1 . . . . 44 GLY N . 16801 1 530 . 1 1 45 45 TYR H H 1 8.37 0.02 . 1 . . . . 45 TYR H . 16801 1 531 . 1 1 45 45 TYR HA H 1 5.26 0.02 . 1 . . . . 45 TYR HA . 16801 1 532 . 1 1 45 45 TYR HB2 H 1 2.59 0.02 . 2 . . . . 45 TYR HB2 . 16801 1 533 . 1 1 45 45 TYR HB3 H 1 2.97 0.02 . 2 . . . . 45 TYR HB3 . 16801 1 534 . 1 1 45 45 TYR HD1 H 1 6.77 0.02 . 3 . . . . 45 TYR HD1 . 16801 1 535 . 1 1 45 45 TYR HE1 H 1 6.77 0.02 . 3 . . . . 45 TYR HE1 . 16801 1 536 . 1 1 45 45 TYR C C 13 175.4 0.2 . 1 . . . . 45 TYR C . 16801 1 537 . 1 1 45 45 TYR CA C 13 57.6 0.2 . 1 . . . . 45 TYR CA . 16801 1 538 . 1 1 45 45 TYR CB C 13 43.3 0.2 . 1 . . . . 45 TYR CB . 16801 1 539 . 1 1 45 45 TYR CD1 C 13 133.5 0.2 . 3 . . . . 45 TYR CD1 . 16801 1 540 . 1 1 45 45 TYR CE1 C 13 117.4 0.2 . 3 . . . . 45 TYR CE1 . 16801 1 541 . 1 1 45 45 TYR N N 15 119.1 0.2 . 1 . . . . 45 TYR N . 16801 1 542 . 1 1 46 46 THR H H 1 9.50 0.02 . 1 . . . . 46 THR H . 16801 1 543 . 1 1 46 46 THR HA H 1 4.79 0.02 . 1 . . . . 46 THR HA . 16801 1 544 . 1 1 46 46 THR HB H 1 3.96 0.02 . 1 . . . . 46 THR HB . 16801 1 545 . 1 1 46 46 THR HG21 H 1 1.20 0.02 . 1 . . . . 46 THR HG2 . 16801 1 546 . 1 1 46 46 THR HG22 H 1 1.20 0.02 . 1 . . . . 46 THR HG2 . 16801 1 547 . 1 1 46 46 THR HG23 H 1 1.20 0.02 . 1 . . . . 46 THR HG2 . 16801 1 548 . 1 1 46 46 THR C C 13 173.0 0.2 . 1 . . . . 46 THR C . 16801 1 549 . 1 1 46 46 THR CA C 13 60.5 0.2 . 1 . . . . 46 THR CA . 16801 1 550 . 1 1 46 46 THR CB C 13 71.3 0.2 . 1 . . . . 46 THR CB . 16801 1 551 . 1 1 46 46 THR CG2 C 13 21.7 0.2 . 1 . . . . 46 THR CG2 . 16801 1 552 . 1 1 46 46 THR N N 15 116.2 0.2 . 1 . . . . 46 THR N . 16801 1 553 . 1 1 47 47 LEU H H 1 8.64 0.02 . 1 . . . . 47 LEU H . 16801 1 554 . 1 1 47 47 LEU HA H 1 3.35 0.02 . 1 . . . . 47 LEU HA . 16801 1 555 . 1 1 47 47 LEU HB2 H 1 1.35 0.02 . 2 . . . . 47 LEU HB2 . 16801 1 556 . 1 1 47 47 LEU HB3 H 1 1.45 0.02 . 2 . . . . 47 LEU HB3 . 16801 1 557 . 1 1 47 47 LEU HD11 H 1 0.51 0.02 . 1 . . . . 47 LEU HD1 . 16801 1 558 . 1 1 47 47 LEU HD12 H 1 0.51 0.02 . 1 . . . . 47 LEU HD1 . 16801 1 559 . 1 1 47 47 LEU HD13 H 1 0.51 0.02 . 1 . . . . 47 LEU HD1 . 16801 1 560 . 1 1 47 47 LEU HD21 H 1 0.49 0.02 . 1 . . . . 47 LEU HD2 . 16801 1 561 . 1 1 47 47 LEU HD22 H 1 0.49 0.02 . 1 . . . . 47 LEU HD2 . 16801 1 562 . 1 1 47 47 LEU HD23 H 1 0.49 0.02 . 1 . . . . 47 LEU HD2 . 16801 1 563 . 1 1 47 47 LEU HG H 1 1.03 0.02 . 1 . . . . 47 LEU HG . 16801 1 564 . 1 1 47 47 LEU CA C 13 57.3 0.2 . 1 . . . . 47 LEU CA . 16801 1 565 . 1 1 47 47 LEU CB C 13 42.3 0.2 . 1 . . . . 47 LEU CB . 16801 1 566 . 1 1 47 47 LEU CD1 C 13 25.4 0.2 . 1 . . . . 47 LEU CD1 . 16801 1 567 . 1 1 47 47 LEU CD2 C 13 25.1 0.2 . 1 . . . . 47 LEU CD2 . 16801 1 568 . 1 1 47 47 LEU CG C 13 27.5 0.2 . 1 . . . . 47 LEU CG . 16801 1 569 . 1 1 47 47 LEU N N 15 129.5 0.2 . 1 . . . . 47 LEU N . 16801 1 570 . 1 1 48 48 LEU HA H 1 4.41 0.02 . 1 . . . . 48 LEU HA . 16801 1 571 . 1 1 48 48 LEU HB2 H 1 1.27 0.02 . 2 . . . . 48 LEU HB2 . 16801 1 572 . 1 1 48 48 LEU HB3 H 1 1.50 0.02 . 2 . . . . 48 LEU HB3 . 16801 1 573 . 1 1 48 48 LEU HD11 H 1 0.82 0.02 . 1 . . . . 48 LEU HD1 . 16801 1 574 . 1 1 48 48 LEU HD12 H 1 0.82 0.02 . 1 . . . . 48 LEU HD1 . 16801 1 575 . 1 1 48 48 LEU HD13 H 1 0.82 0.02 . 1 . . . . 48 LEU HD1 . 16801 1 576 . 1 1 48 48 LEU HD21 H 1 0.77 0.02 . 1 . . . . 48 LEU HD2 . 16801 1 577 . 1 1 48 48 LEU HD22 H 1 0.77 0.02 . 1 . . . . 48 LEU HD2 . 16801 1 578 . 1 1 48 48 LEU HD23 H 1 0.77 0.02 . 1 . . . . 48 LEU HD2 . 16801 1 579 . 1 1 48 48 LEU HG H 1 1.30 0.02 . 1 . . . . 48 LEU HG . 16801 1 580 . 1 1 48 48 LEU CA C 13 56.2 0.2 . 1 . . . . 48 LEU CA . 16801 1 581 . 1 1 48 48 LEU CB C 13 44.1 0.2 . 1 . . . . 48 LEU CB . 16801 1 582 . 1 1 48 48 LEU CD1 C 13 23.5 0.2 . 1 . . . . 48 LEU CD1 . 16801 1 583 . 1 1 48 48 LEU CD2 C 13 25.0 0.2 . 1 . . . . 48 LEU CD2 . 16801 1 584 . 1 1 48 48 LEU CG C 13 27.0 0.2 . 1 . . . . 48 LEU CG . 16801 1 585 . 1 1 49 49 LYS H H 1 8.10 0.02 . 1 . . . . 49 LYS H . 16801 1 586 . 1 1 49 49 LYS HA H 1 4.29 0.02 . 1 . . . . 49 LYS HA . 16801 1 587 . 1 1 49 49 LYS HB2 H 1 1.64 0.02 . 2 . . . . 49 LYS HB2 . 16801 1 588 . 1 1 49 49 LYS HB3 H 1 1.79 0.02 . 2 . . . . 49 LYS HB3 . 16801 1 589 . 1 1 49 49 LYS C C 13 173.8 0.2 . 1 . . . . 49 LYS C . 16801 1 590 . 1 1 49 49 LYS CA C 13 55.7 0.2 . 1 . . . . 49 LYS CA . 16801 1 591 . 1 1 49 49 LYS CB C 13 33.6 0.2 . 1 . . . . 49 LYS CB . 16801 1 592 . 1 1 49 49 LYS N N 15 115.2 0.2 . 1 . . . . 49 LYS N . 16801 1 593 . 1 1 50 50 TYR H H 1 8.19 0.02 . 1 . . . . 50 TYR H . 16801 1 594 . 1 1 50 50 TYR HA H 1 4.76 0.02 . 1 . . . . 50 TYR HA . 16801 1 595 . 1 1 50 50 TYR HB2 H 1 2.90 0.02 . 2 . . . . 50 TYR HB2 . 16801 1 596 . 1 1 50 50 TYR HB3 H 1 3.04 0.02 . 2 . . . . 50 TYR HB3 . 16801 1 597 . 1 1 50 50 TYR HD1 H 1 6.99 0.02 . 3 . . . . 50 TYR HD1 . 16801 1 598 . 1 1 50 50 TYR HE1 H 1 6.71 0.02 . 3 . . . . 50 TYR HE1 . 16801 1 599 . 1 1 50 50 TYR CA C 13 55.4 0.2 . 1 . . . . 50 TYR CA . 16801 1 600 . 1 1 50 50 TYR CB C 13 39.4 0.2 . 1 . . . . 50 TYR CB . 16801 1 601 . 1 1 50 50 TYR CD1 C 13 133.2 0.2 . 3 . . . . 50 TYR CD1 . 16801 1 602 . 1 1 50 50 TYR CE1 C 13 118.1 0.2 . 3 . . . . 50 TYR CE1 . 16801 1 603 . 1 1 50 50 TYR N N 15 119.2 0.2 . 1 . . . . 50 TYR N . 16801 1 604 . 1 1 51 51 ASP HA H 1 4.62 0.02 . 1 . . . . 51 ASP HA . 16801 1 605 . 1 1 51 51 ASP HB2 H 1 2.63 0.02 . 2 . . . . 51 ASP HB2 . 16801 1 606 . 1 1 51 51 ASP HB3 H 1 2.70 0.02 . 2 . . . . 51 ASP HB3 . 16801 1 607 . 1 1 51 51 ASP C C 13 175.2 0.2 . 1 . . . . 51 ASP C . 16801 1 608 . 1 1 51 51 ASP CA C 13 54.1 0.2 . 1 . . . . 51 ASP CA . 16801 1 609 . 1 1 51 51 ASP CB C 13 41.2 0.2 . 1 . . . . 51 ASP CB . 16801 1 610 . 1 1 52 52 SER H H 1 7.71 0.02 . 1 . . . . 52 SER H . 16801 1 611 . 1 1 52 52 SER HA H 1 4.49 0.02 . 1 . . . . 52 SER HA . 16801 1 612 . 1 1 52 52 SER HB2 H 1 3.77 0.02 . 2 . . . . 52 SER HB2 . 16801 1 613 . 1 1 52 52 SER HB3 H 1 3.88 0.02 . 2 . . . . 52 SER HB3 . 16801 1 614 . 1 1 52 52 SER C C 13 173.4 0.2 . 1 . . . . 52 SER C . 16801 1 615 . 1 1 52 52 SER CA C 13 57.7 0.2 . 1 . . . . 52 SER CA . 16801 1 616 . 1 1 52 52 SER CB C 13 65.0 0.2 . 1 . . . . 52 SER CB . 16801 1 617 . 1 1 52 52 SER N N 15 113.4 0.2 . 1 . . . . 52 SER N . 16801 1 618 . 1 1 53 53 GLU H H 1 8.29 0.02 . 1 . . . . 53 GLU H . 16801 1 619 . 1 1 53 53 GLU HA H 1 4.31 0.02 . 1 . . . . 53 GLU HA . 16801 1 620 . 1 1 53 53 GLU HB2 H 1 1.89 0.02 . 2 . . . . 53 GLU HB2 . 16801 1 621 . 1 1 53 53 GLU HB3 H 1 1.94 0.02 . 2 . . . . 53 GLU HB3 . 16801 1 622 . 1 1 53 53 GLU HG2 H 1 2.22 0.02 . 2 . . . . 53 GLU HG2 . 16801 1 623 . 1 1 53 53 GLU HG3 H 1 2.24 0.02 . 2 . . . . 53 GLU HG3 . 16801 1 624 . 1 1 53 53 GLU C C 13 175.6 0.2 . 1 . . . . 53 GLU C . 16801 1 625 . 1 1 53 53 GLU CA C 13 56.1 0.2 . 1 . . . . 53 GLU CA . 16801 1 626 . 1 1 53 53 GLU CB C 13 29.7 0.2 . 1 . . . . 53 GLU CB . 16801 1 627 . 1 1 53 53 GLU CG C 13 34.5 0.2 . 1 . . . . 53 GLU CG . 16801 1 628 . 1 1 53 53 GLU N N 15 120.4 0.2 . 1 . . . . 53 GLU N . 16801 1 629 . 1 1 54 54 ILE H H 1 8.29 0.02 . 1 . . . . 54 ILE H . 16801 1 630 . 1 1 54 54 ILE HA H 1 4.05 0.02 . 1 . . . . 54 ILE HA . 16801 1 631 . 1 1 54 54 ILE HB H 1 1.67 0.02 . 1 . . . . 54 ILE HB . 16801 1 632 . 1 1 54 54 ILE HD11 H 1 0.51 0.02 . 1 . . . . 54 ILE HD1 . 16801 1 633 . 1 1 54 54 ILE HD12 H 1 0.51 0.02 . 1 . . . . 54 ILE HD1 . 16801 1 634 . 1 1 54 54 ILE HD13 H 1 0.51 0.02 . 1 . . . . 54 ILE HD1 . 16801 1 635 . 1 1 54 54 ILE HG12 H 1 0.86 0.02 . 2 . . . . 54 ILE HG12 . 16801 1 636 . 1 1 54 54 ILE HG13 H 1 1.37 0.02 . 2 . . . . 54 ILE HG13 . 16801 1 637 . 1 1 54 54 ILE HG21 H 1 0.73 0.02 . 1 . . . . 54 ILE HG2 . 16801 1 638 . 1 1 54 54 ILE HG22 H 1 0.73 0.02 . 1 . . . . 54 ILE HG2 . 16801 1 639 . 1 1 54 54 ILE HG23 H 1 0.73 0.02 . 1 . . . . 54 ILE HG2 . 16801 1 640 . 1 1 54 54 ILE CA C 13 60.9 0.2 . 1 . . . . 54 ILE CA . 16801 1 641 . 1 1 54 54 ILE CB C 13 38.8 0.2 . 1 . . . . 54 ILE CB . 16801 1 642 . 1 1 54 54 ILE CD1 C 13 13.4 0.2 . 1 . . . . 54 ILE CD1 . 16801 1 643 . 1 1 54 54 ILE CG1 C 13 27.3 0.2 . 1 . . . . 54 ILE CG1 . 16801 1 644 . 1 1 54 54 ILE CG2 C 13 17.8 0.2 . 1 . . . . 54 ILE CG2 . 16801 1 645 . 1 1 54 54 ILE N N 15 123.3 0.2 . 1 . . . . 54 ILE N . 16801 1 646 . 1 1 57 57 VAL HA H 1 4.76 0.02 . 1 . . . . 57 VAL HA . 16801 1 647 . 1 1 57 57 VAL HB H 1 1.57 0.02 . 1 . . . . 57 VAL HB . 16801 1 648 . 1 1 57 57 VAL HG11 H 1 0.56 0.02 . 1 . . . . 57 VAL HG1 . 16801 1 649 . 1 1 57 57 VAL HG12 H 1 0.56 0.02 . 1 . . . . 57 VAL HG1 . 16801 1 650 . 1 1 57 57 VAL HG13 H 1 0.56 0.02 . 1 . . . . 57 VAL HG1 . 16801 1 651 . 1 1 57 57 VAL HG21 H 1 0.54 0.02 . 1 . . . . 57 VAL HG2 . 16801 1 652 . 1 1 57 57 VAL HG22 H 1 0.54 0.02 . 1 . . . . 57 VAL HG2 . 16801 1 653 . 1 1 57 57 VAL HG23 H 1 0.54 0.02 . 1 . . . . 57 VAL HG2 . 16801 1 654 . 1 1 57 57 VAL C C 13 176.0 0.2 . 1 . . . . 57 VAL C . 16801 1 655 . 1 1 57 57 VAL CA C 13 58.0 0.2 . 1 . . . . 57 VAL CA . 16801 1 656 . 1 1 57 57 VAL CB C 13 36.3 0.2 . 1 . . . . 57 VAL CB . 16801 1 657 . 1 1 57 57 VAL CG1 C 13 21.5 0.2 . 1 . . . . 57 VAL CG1 . 16801 1 658 . 1 1 57 57 VAL CG2 C 13 18.6 0.2 . 1 . . . . 57 VAL CG2 . 16801 1 659 . 1 1 58 58 PHE H H 1 8.59 0.02 . 1 . . . . 58 PHE H . 16801 1 660 . 1 1 58 58 PHE HA H 1 4.16 0.02 . 1 . . . . 58 PHE HA . 16801 1 661 . 1 1 58 58 PHE HB2 H 1 2.89 0.02 . 2 . . . . 58 PHE HB2 . 16801 1 662 . 1 1 58 58 PHE HB3 H 1 3.28 0.02 . 2 . . . . 58 PHE HB3 . 16801 1 663 . 1 1 58 58 PHE HD1 H 1 7.29 0.02 . 3 . . . . 58 PHE HD1 . 16801 1 664 . 1 1 58 58 PHE HE1 H 1 7.01 0.02 . 3 . . . . 58 PHE HE1 . 16801 1 665 . 1 1 58 58 PHE HZ H 1 6.86 0.02 . 1 . . . . 58 PHE HZ . 16801 1 666 . 1 1 58 58 PHE C C 13 177.2 0.2 . 1 . . . . 58 PHE C . 16801 1 667 . 1 1 58 58 PHE CA C 13 60.8 0.2 . 1 . . . . 58 PHE CA . 16801 1 668 . 1 1 58 58 PHE CB C 13 39.2 0.2 . 1 . . . . 58 PHE CB . 16801 1 669 . 1 1 58 58 PHE CD1 C 13 132.3 0.2 . 3 . . . . 58 PHE CD1 . 16801 1 670 . 1 1 58 58 PHE CE1 C 13 131.1 0.2 . 3 . . . . 58 PHE CE1 . 16801 1 671 . 1 1 58 58 PHE CZ C 13 129.7 0.2 . 1 . . . . 58 PHE CZ . 16801 1 672 . 1 1 58 58 PHE N N 15 121.6 0.2 . 1 . . . . 58 PHE N . 16801 1 673 . 1 1 59 59 THR H H 1 9.10 0.02 . 1 . . . . 59 THR H . 16801 1 674 . 1 1 59 59 THR HA H 1 4.80 0.02 . 1 . . . . 59 THR HA . 16801 1 675 . 1 1 59 59 THR HB H 1 4.78 0.02 . 1 . . . . 59 THR HB . 16801 1 676 . 1 1 59 59 THR HG21 H 1 1.16 0.02 . 1 . . . . 59 THR HG2 . 16801 1 677 . 1 1 59 59 THR HG22 H 1 1.16 0.02 . 1 . . . . 59 THR HG2 . 16801 1 678 . 1 1 59 59 THR HG23 H 1 1.16 0.02 . 1 . . . . 59 THR HG2 . 16801 1 679 . 1 1 59 59 THR C C 13 173.9 0.2 . 1 . . . . 59 THR C . 16801 1 680 . 1 1 59 59 THR CA C 13 60.1 0.2 . 1 . . . . 59 THR CA . 16801 1 681 . 1 1 59 59 THR CB C 13 70.1 0.2 . 1 . . . . 59 THR CB . 16801 1 682 . 1 1 59 59 THR CG2 C 13 21.6 0.2 . 1 . . . . 59 THR CG2 . 16801 1 683 . 1 1 59 59 THR N N 15 115.7 0.2 . 1 . . . . 59 THR N . 16801 1 684 . 1 1 60 60 GLU H H 1 8.78 0.02 . 1 . . . . 60 GLU H . 16801 1 685 . 1 1 60 60 GLU HA H 1 4.54 0.02 . 1 . . . . 60 GLU HA . 16801 1 686 . 1 1 60 60 GLU HB2 H 1 1.92 0.02 . 2 . . . . 60 GLU HB2 . 16801 1 687 . 1 1 60 60 GLU HB3 H 1 2.17 0.02 . 2 . . . . 60 GLU HB3 . 16801 1 688 . 1 1 60 60 GLU HG2 H 1 2.12 0.02 . 2 . . . . 60 GLU HG2 . 16801 1 689 . 1 1 60 60 GLU HG3 H 1 2.15 0.02 . 2 . . . . 60 GLU HG3 . 16801 1 690 . 1 1 60 60 GLU C C 13 176.6 0.2 . 1 . . . . 60 GLU C . 16801 1 691 . 1 1 60 60 GLU CA C 13 57.2 0.2 . 1 . . . . 60 GLU CA . 16801 1 692 . 1 1 60 60 GLU CB C 13 29.1 0.2 . 1 . . . . 60 GLU CB . 16801 1 693 . 1 1 60 60 GLU CG C 13 34.8 0.2 . 1 . . . . 60 GLU CG . 16801 1 694 . 1 1 60 60 GLU N N 15 118.1 0.2 . 1 . . . . 60 GLU N . 16801 1 695 . 1 1 61 61 SER H H 1 8.24 0.02 . 1 . . . . 61 SER H . 16801 1 696 . 1 1 61 61 SER HA H 1 5.01 0.02 . 1 . . . . 61 SER HA . 16801 1 697 . 1 1 61 61 SER HB2 H 1 3.70 0.02 . 2 . . . . 61 SER HB2 . 16801 1 698 . 1 1 61 61 SER HB3 H 1 3.89 0.02 . 2 . . . . 61 SER HB3 . 16801 1 699 . 1 1 61 61 SER CA C 13 56.2 0.2 . 1 . . . . 61 SER CA . 16801 1 700 . 1 1 61 61 SER CB C 13 63.9 0.2 . 1 . . . . 61 SER CB . 16801 1 701 . 1 1 61 61 SER N N 15 115.1 0.2 . 1 . . . . 61 SER N . 16801 1 702 . 1 1 62 62 PRO HA H 1 4.65 0.02 . 1 . . . . 62 PRO HA . 16801 1 703 . 1 1 62 62 PRO HB2 H 1 1.85 0.02 . 2 . . . . 62 PRO HB2 . 16801 1 704 . 1 1 62 62 PRO HB3 H 1 2.38 0.02 . 2 . . . . 62 PRO HB3 . 16801 1 705 . 1 1 62 62 PRO HD2 H 1 3.68 0.02 . 2 . . . . 62 PRO HD2 . 16801 1 706 . 1 1 62 62 PRO HD3 H 1 3.94 0.02 . 2 . . . . 62 PRO HD3 . 16801 1 707 . 1 1 62 62 PRO HG2 H 1 1.96 0.02 . 2 . . . . 62 PRO HG2 . 16801 1 708 . 1 1 62 62 PRO HG3 H 1 2.02 0.02 . 2 . . . . 62 PRO HG3 . 16801 1 709 . 1 1 62 62 PRO C C 13 177.0 0.2 . 1 . . . . 62 PRO C . 16801 1 710 . 1 1 62 62 PRO CA C 13 63.3 0.2 . 1 . . . . 62 PRO CA . 16801 1 711 . 1 1 62 62 PRO CB C 13 32.3 0.2 . 1 . . . . 62 PRO CB . 16801 1 712 . 1 1 62 62 PRO CD C 13 50.8 0.2 . 1 . . . . 62 PRO CD . 16801 1 713 . 1 1 62 62 PRO CG C 13 27.5 0.2 . 1 . . . . 62 PRO CG . 16801 1 714 . 1 1 63 63 GLN H H 1 8.04 0.02 . 1 . . . . 63 GLN H . 16801 1 715 . 1 1 63 63 GLN HA H 1 4.79 0.02 . 1 . . . . 63 GLN HA . 16801 1 716 . 1 1 63 63 GLN HB2 H 1 1.74 0.02 . 2 . . . . 63 GLN HB2 . 16801 1 717 . 1 1 63 63 GLN HB3 H 1 2.02 0.02 . 2 . . . . 63 GLN HB3 . 16801 1 718 . 1 1 63 63 GLN HE21 H 1 7.77 0.02 . 2 . . . . 63 GLN HE21 . 16801 1 719 . 1 1 63 63 GLN HE22 H 1 8.15 0.02 . 2 . . . . 63 GLN HE22 . 16801 1 720 . 1 1 63 63 GLN HG2 H 1 2.32 0.02 . 2 . . . . 63 GLN HG2 . 16801 1 721 . 1 1 63 63 GLN HG3 H 1 2.40 0.02 . 2 . . . . 63 GLN HG3 . 16801 1 722 . 1 1 63 63 GLN C C 13 175.4 0.2 . 1 . . . . 63 GLN C . 16801 1 723 . 1 1 63 63 GLN CA C 13 54.4 0.2 . 1 . . . . 63 GLN CA . 16801 1 724 . 1 1 63 63 GLN CB C 13 33.7 0.2 . 1 . . . . 63 GLN CB . 16801 1 725 . 1 1 63 63 GLN CG C 13 33.5 0.2 . 1 . . . . 63 GLN CG . 16801 1 726 . 1 1 63 63 GLN N N 15 119.0 0.2 . 1 . . . . 63 GLN N . 16801 1 727 . 1 1 63 63 GLN NE2 N 15 117.7 0.2 . 1 . . . . 63 GLN NE2 . 16801 1 728 . 1 1 64 64 THR H H 1 8.80 0.02 . 1 . . . . 64 THR H . 16801 1 729 . 1 1 64 64 THR HA H 1 4.96 0.02 . 1 . . . . 64 THR HA . 16801 1 730 . 1 1 64 64 THR HB H 1 3.82 0.02 . 1 . . . . 64 THR HB . 16801 1 731 . 1 1 64 64 THR HG21 H 1 0.95 0.02 . 1 . . . . 64 THR HG2 . 16801 1 732 . 1 1 64 64 THR HG22 H 1 0.95 0.02 . 1 . . . . 64 THR HG2 . 16801 1 733 . 1 1 64 64 THR HG23 H 1 0.95 0.02 . 1 . . . . 64 THR HG2 . 16801 1 734 . 1 1 64 64 THR C C 13 173.1 0.2 . 1 . . . . 64 THR C . 16801 1 735 . 1 1 64 64 THR CA C 13 62.2 0.2 . 1 . . . . 64 THR CA . 16801 1 736 . 1 1 64 64 THR CB C 13 70.8 0.2 . 1 . . . . 64 THR CB . 16801 1 737 . 1 1 64 64 THR CG2 C 13 22.0 0.2 . 1 . . . . 64 THR CG2 . 16801 1 738 . 1 1 64 64 THR N N 15 119.9 0.2 . 1 . . . . 64 THR N . 16801 1 739 . 1 1 65 65 ILE H H 1 9.37 0.02 . 1 . . . . 65 ILE H . 16801 1 740 . 1 1 65 65 ILE HA H 1 4.12 0.02 . 1 . . . . 65 ILE HA . 16801 1 741 . 1 1 65 65 ILE HB H 1 1.62 0.02 . 1 . . . . 65 ILE HB . 16801 1 742 . 1 1 65 65 ILE HD11 H 1 0.71 0.02 . 1 . . . . 65 ILE HD1 . 16801 1 743 . 1 1 65 65 ILE HD12 H 1 0.71 0.02 . 1 . . . . 65 ILE HD1 . 16801 1 744 . 1 1 65 65 ILE HD13 H 1 0.71 0.02 . 1 . . . . 65 ILE HD1 . 16801 1 745 . 1 1 65 65 ILE HG12 H 1 0.99 0.02 . 2 . . . . 65 ILE HG12 . 16801 1 746 . 1 1 65 65 ILE HG13 H 1 1.23 0.02 . 2 . . . . 65 ILE HG13 . 16801 1 747 . 1 1 65 65 ILE HG21 H 1 0.71 0.02 . 1 . . . . 65 ILE HG2 . 16801 1 748 . 1 1 65 65 ILE HG22 H 1 0.71 0.02 . 1 . . . . 65 ILE HG2 . 16801 1 749 . 1 1 65 65 ILE HG23 H 1 0.71 0.02 . 1 . . . . 65 ILE HG2 . 16801 1 750 . 1 1 65 65 ILE C C 13 172.9 0.2 . 1 . . . . 65 ILE C . 16801 1 751 . 1 1 65 65 ILE CA C 13 60.2 0.2 . 1 . . . . 65 ILE CA . 16801 1 752 . 1 1 65 65 ILE CB C 13 40.5 0.2 . 1 . . . . 65 ILE CB . 16801 1 753 . 1 1 65 65 ILE CD1 C 13 14.4 0.2 . 1 . . . . 65 ILE CD1 . 16801 1 754 . 1 1 65 65 ILE CG1 C 13 27.3 0.2 . 1 . . . . 65 ILE CG1 . 16801 1 755 . 1 1 65 65 ILE CG2 C 13 17.1 0.2 . 1 . . . . 65 ILE CG2 . 16801 1 756 . 1 1 65 65 ILE N N 15 130.0 0.2 . 1 . . . . 65 ILE N . 16801 1 757 . 1 1 66 66 ASN H H 1 8.67 0.02 . 1 . . . . 66 ASN H . 16801 1 758 . 1 1 66 66 ASN HA H 1 5.07 0.02 . 1 . . . . 66 ASN HA . 16801 1 759 . 1 1 66 66 ASN HB2 H 1 2.16 0.02 . 2 . . . . 66 ASN HB2 . 16801 1 760 . 1 1 66 66 ASN HB3 H 1 2.63 0.02 . 2 . . . . 66 ASN HB3 . 16801 1 761 . 1 1 66 66 ASN HD21 H 1 6.62 0.02 . 2 . . . . 66 ASN HD21 . 16801 1 762 . 1 1 66 66 ASN HD22 H 1 7.62 0.02 . 2 . . . . 66 ASN HD22 . 16801 1 763 . 1 1 66 66 ASN C C 13 173.1 0.2 . 1 . . . . 66 ASN C . 16801 1 764 . 1 1 66 66 ASN CA C 13 52.1 0.2 . 1 . . . . 66 ASN CA . 16801 1 765 . 1 1 66 66 ASN CB C 13 40.2 0.2 . 1 . . . . 66 ASN CB . 16801 1 766 . 1 1 66 66 ASN CG C 13 175.0 0.2 . 1 . . . . 66 ASN CG . 16801 1 767 . 1 1 66 66 ASN N N 15 125.2 0.2 . 1 . . . . 66 ASN N . 16801 1 768 . 1 1 66 66 ASN ND2 N 15 114.2 0.2 . 1 . . . . 66 ASN ND2 . 16801 1 769 . 1 1 67 67 ILE H H 1 8.87 0.02 . 1 . . . . 67 ILE H . 16801 1 770 . 1 1 67 67 ILE HA H 1 4.05 0.02 . 1 . . . . 67 ILE HA . 16801 1 771 . 1 1 67 67 ILE HB H 1 1.99 0.02 . 1 . . . . 67 ILE HB . 16801 1 772 . 1 1 67 67 ILE HD11 H 1 0.56 0.02 . 1 . . . . 67 ILE HD1 . 16801 1 773 . 1 1 67 67 ILE HD12 H 1 0.56 0.02 . 1 . . . . 67 ILE HD1 . 16801 1 774 . 1 1 67 67 ILE HD13 H 1 0.56 0.02 . 1 . . . . 67 ILE HD1 . 16801 1 775 . 1 1 67 67 ILE HG12 H 1 0.78 0.02 . 2 . . . . 67 ILE HG12 . 16801 1 776 . 1 1 67 67 ILE HG13 H 1 1.29 0.02 . 2 . . . . 67 ILE HG13 . 16801 1 777 . 1 1 67 67 ILE HG21 H 1 0.69 0.02 . 1 . . . . 67 ILE HG2 . 16801 1 778 . 1 1 67 67 ILE HG22 H 1 0.69 0.02 . 1 . . . . 67 ILE HG2 . 16801 1 779 . 1 1 67 67 ILE HG23 H 1 0.69 0.02 . 1 . . . . 67 ILE HG2 . 16801 1 780 . 1 1 67 67 ILE C C 13 173.6 0.2 . 1 . . . . 67 ILE C . 16801 1 781 . 1 1 67 67 ILE CA C 13 61.4 0.2 . 1 . . . . 67 ILE CA . 16801 1 782 . 1 1 67 67 ILE CB C 13 37.4 0.2 . 1 . . . . 67 ILE CB . 16801 1 783 . 1 1 67 67 ILE CD1 C 13 13.2 0.2 . 1 . . . . 67 ILE CD1 . 16801 1 784 . 1 1 67 67 ILE CG1 C 13 27.2 0.2 . 1 . . . . 67 ILE CG1 . 16801 1 785 . 1 1 67 67 ILE CG2 C 13 18.9 0.2 . 1 . . . . 67 ILE CG2 . 16801 1 786 . 1 1 67 67 ILE N N 15 127.0 0.2 . 1 . . . . 67 ILE N . 16801 1 787 . 1 1 68 68 ILE H H 1 8.37 0.02 . 1 . . . . 68 ILE H . 16801 1 788 . 1 1 68 68 ILE HA H 1 4.77 0.02 . 1 . . . . 68 ILE HA . 16801 1 789 . 1 1 68 68 ILE HB H 1 1.80 0.02 . 1 . . . . 68 ILE HB . 16801 1 790 . 1 1 68 68 ILE HD11 H 1 0.65 0.02 . 1 . . . . 68 ILE HD1 . 16801 1 791 . 1 1 68 68 ILE HD12 H 1 0.65 0.02 . 1 . . . . 68 ILE HD1 . 16801 1 792 . 1 1 68 68 ILE HD13 H 1 0.65 0.02 . 1 . . . . 68 ILE HD1 . 16801 1 793 . 1 1 68 68 ILE HG12 H 1 1.26 0.02 . 2 . . . . 68 ILE HG12 . 16801 1 794 . 1 1 68 68 ILE HG13 H 1 1.34 0.02 . 2 . . . . 68 ILE HG13 . 16801 1 795 . 1 1 68 68 ILE HG21 H 1 0.81 0.02 . 1 . . . . 68 ILE HG2 . 16801 1 796 . 1 1 68 68 ILE HG22 H 1 0.81 0.02 . 1 . . . . 68 ILE HG2 . 16801 1 797 . 1 1 68 68 ILE HG23 H 1 0.81 0.02 . 1 . . . . 68 ILE HG2 . 16801 1 798 . 1 1 68 68 ILE C C 13 175.5 0.2 . 1 . . . . 68 ILE C . 16801 1 799 . 1 1 68 68 ILE CA C 13 59.2 0.2 . 1 . . . . 68 ILE CA . 16801 1 800 . 1 1 68 68 ILE CB C 13 37.4 0.2 . 1 . . . . 68 ILE CB . 16801 1 801 . 1 1 68 68 ILE CD1 C 13 11.4 0.2 . 1 . . . . 68 ILE CD1 . 16801 1 802 . 1 1 68 68 ILE CG1 C 13 27.9 0.2 . 1 . . . . 68 ILE CG1 . 16801 1 803 . 1 1 68 68 ILE CG2 C 13 18.2 0.2 . 1 . . . . 68 ILE CG2 . 16801 1 804 . 1 1 68 68 ILE N N 15 126.4 0.2 . 1 . . . . 68 ILE N . 16801 1 805 . 1 1 69 69 TYR H H 1 9.53 0.02 . 1 . . . . 69 TYR H . 16801 1 806 . 1 1 69 69 TYR HA H 1 4.92 0.02 . 1 . . . . 69 TYR HA . 16801 1 807 . 1 1 69 69 TYR HB2 H 1 2.67 0.02 . 2 . . . . 69 TYR HB2 . 16801 1 808 . 1 1 69 69 TYR HB3 H 1 2.79 0.02 . 2 . . . . 69 TYR HB3 . 16801 1 809 . 1 1 69 69 TYR HD1 H 1 7.05 0.02 . 3 . . . . 69 TYR HD1 . 16801 1 810 . 1 1 69 69 TYR HE1 H 1 6.82 0.02 . 3 . . . . 69 TYR HE1 . 16801 1 811 . 1 1 69 69 TYR HH H 1 8.88 0.02 . 1 . . . . 69 TYR HH . 16801 1 812 . 1 1 69 69 TYR C C 13 174.3 0.2 . 1 . . . . 69 TYR C . 16801 1 813 . 1 1 69 69 TYR CA C 13 56.8 0.2 . 1 . . . . 69 TYR CA . 16801 1 814 . 1 1 69 69 TYR CB C 13 41.9 0.2 . 1 . . . . 69 TYR CB . 16801 1 815 . 1 1 69 69 TYR CD1 C 13 132.8 0.2 . 3 . . . . 69 TYR CD1 . 16801 1 816 . 1 1 69 69 TYR CE1 C 13 118.4 0.2 . 3 . . . . 69 TYR CE1 . 16801 1 817 . 1 1 69 69 TYR N N 15 127.3 0.2 . 1 . . . . 69 TYR N . 16801 1 818 . 1 1 70 70 GLN H H 1 9.21 0.02 . 1 . . . . 70 GLN H . 16801 1 819 . 1 1 70 70 GLN HA H 1 4.99 0.02 . 1 . . . . 70 GLN HA . 16801 1 820 . 1 1 70 70 GLN HB2 H 1 1.94 0.02 . 2 . . . . 70 GLN HB2 . 16801 1 821 . 1 1 70 70 GLN HB3 H 1 2.00 0.02 . 2 . . . . 70 GLN HB3 . 16801 1 822 . 1 1 70 70 GLN HE21 H 1 6.85 0.02 . 2 . . . . 70 GLN HE21 . 16801 1 823 . 1 1 70 70 GLN HE22 H 1 7.55 0.02 . 2 . . . . 70 GLN HE22 . 16801 1 824 . 1 1 70 70 GLN HG2 H 1 2.23 0.02 . 2 . . . . 70 GLN HG2 . 16801 1 825 . 1 1 70 70 GLN HG3 H 1 2.31 0.02 . 2 . . . . 70 GLN HG3 . 16801 1 826 . 1 1 70 70 GLN C C 13 175.7 0.2 . 1 . . . . 70 GLN C . 16801 1 827 . 1 1 70 70 GLN CA C 13 53.4 0.2 . 1 . . . . 70 GLN CA . 16801 1 828 . 1 1 70 70 GLN CB C 13 32.9 0.2 . 1 . . . . 70 GLN CB . 16801 1 829 . 1 1 70 70 GLN CD C 13 180.4 0.2 . 1 . . . . 70 GLN CD . 16801 1 830 . 1 1 70 70 GLN CG C 13 34.0 0.2 . 1 . . . . 70 GLN CG . 16801 1 831 . 1 1 70 70 GLN N N 15 116.9 0.2 . 1 . . . . 70 GLN N . 16801 1 832 . 1 1 70 70 GLN NE2 N 15 112.4 0.2 . 1 . . . . 70 GLN NE2 . 16801 1 833 . 1 1 71 71 LYS H H 1 9.13 0.02 . 1 . . . . 71 LYS H . 16801 1 834 . 1 1 71 71 LYS HA H 1 3.76 0.02 . 1 . . . . 71 LYS HA . 16801 1 835 . 1 1 71 71 LYS HB2 H 1 1.63 0.02 . 2 . . . . 71 LYS HB2 . 16801 1 836 . 1 1 71 71 LYS HB3 H 1 1.69 0.02 . 2 . . . . 71 LYS HB3 . 16801 1 837 . 1 1 71 71 LYS HD2 H 1 1.50 0.02 . 2 . . . . 71 LYS HD2 . 16801 1 838 . 1 1 71 71 LYS HD3 H 1 1.52 0.02 . 2 . . . . 71 LYS HD3 . 16801 1 839 . 1 1 71 71 LYS HE2 H 1 2.89 0.02 . 2 . . . . 71 LYS HE2 . 16801 1 840 . 1 1 71 71 LYS HE3 H 1 2.91 0.02 . 2 . . . . 71 LYS HE3 . 16801 1 841 . 1 1 71 71 LYS HG2 H 1 1.00 0.02 . 2 . . . . 71 LYS HG2 . 16801 1 842 . 1 1 71 71 LYS HG3 H 1 1.21 0.02 . 2 . . . . 71 LYS HG3 . 16801 1 843 . 1 1 71 71 LYS C C 13 176.6 0.2 . 1 . . . . 71 LYS C . 16801 1 844 . 1 1 71 71 LYS CA C 13 57.5 0.2 . 1 . . . . 71 LYS CA . 16801 1 845 . 1 1 71 71 LYS CB C 13 32.9 0.2 . 1 . . . . 71 LYS CB . 16801 1 846 . 1 1 71 71 LYS CD C 13 29.3 0.2 . 1 . . . . 71 LYS CD . 16801 1 847 . 1 1 71 71 LYS CE C 13 42.0 0.2 . 1 . . . . 71 LYS CE . 16801 1 848 . 1 1 71 71 LYS CG C 13 25.1 0.2 . 1 . . . . 71 LYS CG . 16801 1 849 . 1 1 71 71 LYS N N 15 128.3 0.2 . 1 . . . . 71 LYS N . 16801 1 850 . 1 1 72 72 LYS H H 1 8.12 0.02 . 1 . . . . 72 LYS H . 16801 1 851 . 1 1 72 72 LYS HA H 1 4.10 0.02 . 1 . . . . 72 LYS HA . 16801 1 852 . 1 1 72 72 LYS HB2 H 1 1.36 0.02 . 2 . . . . 72 LYS HB2 . 16801 1 853 . 1 1 72 72 LYS HB3 H 1 1.58 0.02 . 2 . . . . 72 LYS HB3 . 16801 1 854 . 1 1 72 72 LYS HD2 H 1 1.52 0.02 . 2 . . . . 72 LYS HD2 . 16801 1 855 . 1 1 72 72 LYS HD3 H 1 1.54 0.02 . 2 . . . . 72 LYS HD3 . 16801 1 856 . 1 1 72 72 LYS HE2 H 1 2.88 0.02 . 2 . . . . 72 LYS HE2 . 16801 1 857 . 1 1 72 72 LYS HE3 H 1 2.91 0.02 . 2 . . . . 72 LYS HE3 . 16801 1 858 . 1 1 72 72 LYS HG2 H 1 1.18 0.02 . 2 . . . . 72 LYS HG2 . 16801 1 859 . 1 1 72 72 LYS HG3 H 1 1.29 0.02 . 2 . . . . 72 LYS HG3 . 16801 1 860 . 1 1 72 72 LYS C C 13 175.7 0.2 . 1 . . . . 72 LYS C . 16801 1 861 . 1 1 72 72 LYS CA C 13 56.5 0.2 . 1 . . . . 72 LYS CA . 16801 1 862 . 1 1 72 72 LYS CB C 13 33.1 0.2 . 1 . . . . 72 LYS CB . 16801 1 863 . 1 1 72 72 LYS CD C 13 29.3 0.2 . 1 . . . . 72 LYS CD . 16801 1 864 . 1 1 72 72 LYS CE C 13 42.0 0.2 . 1 . . . . 72 LYS CE . 16801 1 865 . 1 1 72 72 LYS CG C 13 25.0 0.2 . 1 . . . . 72 LYS CG . 16801 1 866 . 1 1 72 72 LYS N N 15 126.6 0.2 . 1 . . . . 72 LYS N . 16801 1 867 . 1 1 73 73 ALA H H 1 8.40 0.02 . 1 . . . . 73 ALA H . 16801 1 868 . 1 1 73 73 ALA HA H 1 4.48 0.02 . 1 . . . . 73 ALA HA . 16801 1 869 . 1 1 73 73 ALA HB1 H 1 1.30 0.02 . 1 . . . . 73 ALA HB . 16801 1 870 . 1 1 73 73 ALA HB2 H 1 1.30 0.02 . 1 . . . . 73 ALA HB . 16801 1 871 . 1 1 73 73 ALA HB3 H 1 1.30 0.02 . 1 . . . . 73 ALA HB . 16801 1 872 . 1 1 73 73 ALA CA C 13 50.5 0.2 . 1 . . . . 73 ALA CA . 16801 1 873 . 1 1 73 73 ALA CB C 13 18.1 0.2 . 1 . . . . 73 ALA CB . 16801 1 874 . 1 1 73 73 ALA N N 15 128.2 0.2 . 1 . . . . 73 ALA N . 16801 1 875 . 1 1 74 74 PRO HA H 1 4.32 0.02 . 1 . . . . 74 PRO HA . 16801 1 876 . 1 1 74 74 PRO HB2 H 1 1.83 0.02 . 2 . . . . 74 PRO HB2 . 16801 1 877 . 1 1 74 74 PRO HB3 H 1 2.23 0.02 . 2 . . . . 74 PRO HB3 . 16801 1 878 . 1 1 74 74 PRO HD2 H 1 3.58 0.02 . 2 . . . . 74 PRO HD2 . 16801 1 879 . 1 1 74 74 PRO HD3 H 1 3.72 0.02 . 2 . . . . 74 PRO HD3 . 16801 1 880 . 1 1 74 74 PRO HG2 H 1 1.94 0.02 . 2 . . . . 74 PRO HG2 . 16801 1 881 . 1 1 74 74 PRO HG3 H 1 1.97 0.02 . 2 . . . . 74 PRO HG3 . 16801 1 882 . 1 1 74 74 PRO C C 13 177.0 0.2 . 1 . . . . 74 PRO C . 16801 1 883 . 1 1 74 74 PRO CA C 13 63.1 0.2 . 1 . . . . 74 PRO CA . 16801 1 884 . 1 1 74 74 PRO CB C 13 32.0 0.2 . 1 . . . . 74 PRO CB . 16801 1 885 . 1 1 74 74 PRO CD C 13 50.6 0.2 . 1 . . . . 74 PRO CD . 16801 1 886 . 1 1 74 74 PRO CG C 13 27.8 0.2 . 1 . . . . 74 PRO CG . 16801 1 887 . 1 1 75 75 GLU H H 1 8.51 0.02 . 1 . . . . 75 GLU H . 16801 1 888 . 1 1 75 75 GLU HA H 1 4.16 0.02 . 1 . . . . 75 GLU HA . 16801 1 889 . 1 1 75 75 GLU HB2 H 1 1.90 0.02 . 2 . . . . 75 GLU HB2 . 16801 1 890 . 1 1 75 75 GLU HB3 H 1 1.97 0.02 . 2 . . . . 75 GLU HB3 . 16801 1 891 . 1 1 75 75 GLU HG2 H 1 2.26 0.02 . 2 . . . . 75 GLU HG2 . 16801 1 892 . 1 1 75 75 GLU HG3 H 1 2.29 0.02 . 2 . . . . 75 GLU HG3 . 16801 1 893 . 1 1 75 75 GLU C C 13 176.7 0.2 . 1 . . . . 75 GLU C . 16801 1 894 . 1 1 75 75 GLU CA C 13 56.6 0.2 . 1 . . . . 75 GLU CA . 16801 1 895 . 1 1 75 75 GLU CB C 13 29.8 0.2 . 1 . . . . 75 GLU CB . 16801 1 896 . 1 1 75 75 GLU CG C 13 35.5 0.2 . 1 . . . . 75 GLU CG . 16801 1 897 . 1 1 75 75 GLU N N 15 121.2 0.2 . 1 . . . . 75 GLU N . 16801 1 898 . 1 1 76 76 GLN H H 1 8.41 0.02 . 1 . . . . 76 GLN H . 16801 1 899 . 1 1 76 76 GLN HA H 1 4.38 0.02 . 1 . . . . 76 GLN HA . 16801 1 900 . 1 1 76 76 GLN HB2 H 1 2.25 0.02 . 2 . . . . 76 GLN HB2 . 16801 1 901 . 1 1 76 76 GLN HB3 H 1 2.40 0.02 . 2 . . . . 76 GLN HB3 . 16801 1 902 . 1 1 76 76 GLN HG2 H 1 2.46 0.02 . 2 . . . . 76 GLN HG2 . 16801 1 903 . 1 1 76 76 GLN HG3 H 1 2.50 0.02 . 2 . . . . 76 GLN HG3 . 16801 1 904 . 1 1 76 76 GLN C C 13 175.8 0.2 . 1 . . . . 76 GLN C . 16801 1 905 . 1 1 76 76 GLN CA C 13 55.7 0.2 . 1 . . . . 76 GLN CA . 16801 1 906 . 1 1 76 76 GLN CB C 13 29.5 0.2 . 1 . . . . 76 GLN CB . 16801 1 907 . 1 1 76 76 GLN CG C 13 35.8 0.2 . 1 . . . . 76 GLN CG . 16801 1 908 . 1 1 76 76 GLN N N 15 121.5 0.2 . 1 . . . . 76 GLN N . 16801 1 909 . 1 1 77 77 ALA H H 1 8.32 0.02 . 1 . . . . 77 ALA H . 16801 1 910 . 1 1 77 77 ALA HA H 1 4.22 0.02 . 1 . . . . 77 ALA HA . 16801 1 911 . 1 1 77 77 ALA HB1 H 1 1.33 0.02 . 1 . . . . 77 ALA HB . 16801 1 912 . 1 1 77 77 ALA HB2 H 1 1.33 0.02 . 1 . . . . 77 ALA HB . 16801 1 913 . 1 1 77 77 ALA HB3 H 1 1.33 0.02 . 1 . . . . 77 ALA HB . 16801 1 914 . 1 1 77 77 ALA CA C 13 52.7 0.2 . 1 . . . . 77 ALA CA . 16801 1 915 . 1 1 77 77 ALA CB C 13 19.0 0.2 . 1 . . . . 77 ALA CB . 16801 1 916 . 1 1 77 77 ALA N N 15 125.1 0.2 . 1 . . . . 77 ALA N . 16801 1 stop_ save_