data_18342 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18342 _Entry.Title ; Backbone and sidechain assignments for Get5_UBL domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-03-21 _Entry.Accession_date 2012-03-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Aline Simon . C. . 18342 2 Peter Simpson . J. . 18342 3 Rivka Isaacson . L. . 18342 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18342 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 383 18342 '15N chemical shifts' 82 18342 '1H chemical shifts' 601 18342 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 2 . . 2014-02-24 2012-03-21 update BMRB 'update entry citation' 18342 1 . . 2012-11-15 2012-03-21 original author 'original release' 18342 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18341 'Sgt2_NT homodimer' 18342 PDB 4ASW 'BMRB Entry Tracking System' 18342 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18342 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23001946 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N assignments of Sgt2N-terminal dimerisation domain and its binding partner, Get5 Ubiquitin-like domain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 271 _Citation.Page_last 274 _Citation.Year 2013 _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 Aline Simon . C. . 18342 1 2 Peter Simpson . J. . 18342 1 3 William Hawthorne . . . 18342 1 4 Lisa Hale . R. . 18342 1 5 Rachael Goldstone . M. . 18342 1 6 Rivka Isaacson . L. . 18342 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18342 _Assembly.ID 1 _Assembly.Name 'Get5_UBL domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 10963.5 _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 Get5_ubl 1 $Get5_ubl A . yes native no no . . . 18342 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Get5_ubl _Entity.Sf_category entity _Entity.Sf_framecode Get5_ubl _Entity.Entry_ID 18342 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Get5_ubl _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AHHHHHHVDDDDKMDNAAVH LTLKKIQAPKFSIEHDFSPS DTILQIKQHLISEEKASHIS EIKLLLKGKVLHDNLFLSDL KVTPANSTITVMIKPNP ; _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 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10963.5 _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 BMRB 18669 . Get5 . . . . . 80.41 87 100.00 100.00 2.71e-44 . . . . 18342 1 2 no BMRB 18671 . Get5 . . . . . 80.41 81 100.00 100.00 5.81e-45 . . . . 18342 1 3 no PDB 2LXA . "Solution Structure Of The Get5 Ubiquitin-like Domain" . . . . . 80.41 87 100.00 100.00 2.71e-44 . . . . 18342 1 4 no PDB 2LXC . "Solution Structure Of The Complex Between The Sgt2 Homodimerization Domain And The Get5 Ubl Domain" . . . . . 80.41 81 100.00 100.00 5.81e-45 . . . . 18342 1 5 no PDB 3ZDM . "Crystal Structure Of The Sgt2 N Domain And The Get5 Ubl Domain Complex" . . . . . 83.51 81 100.00 100.00 2.53e-47 . . . . 18342 1 6 no PDB 4A20 . "Crystal Structure Of The Ubl Domain Of Mdy2 (get5) At 1.78a" . . . . . 100.00 98 100.00 100.00 1.65e-59 . . . . 18342 1 7 no PDB 4ASW . "Structure Of The Complex Between The N-terminal Dimerisation Domain Of Sgt2 And The Ubl Domain Of Get5" . . . . . 85.57 83 100.00 100.00 4.52e-49 . . . . 18342 1 8 no PDB 4GOC . "Crystal Structure Of The Get5 Ubiquitin-like Domain" . . . . . 78.35 76 98.68 100.00 1.53e-42 . . . . 18342 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 -6 ALA . 18342 1 2 -5 HIS . 18342 1 3 -4 HIS . 18342 1 4 -3 HIS . 18342 1 5 -2 HIS . 18342 1 6 -1 HIS . 18342 1 7 1 HIS . 18342 1 8 2 VAL . 18342 1 9 3 ASP . 18342 1 10 4 ASP . 18342 1 11 5 ASP . 18342 1 12 6 ASP . 18342 1 13 7 LYS . 18342 1 14 8 MET . 18342 1 15 9 ASP . 18342 1 16 10 ASN . 18342 1 17 11 ALA . 18342 1 18 12 ALA . 18342 1 19 13 VAL . 18342 1 20 14 HIS . 18342 1 21 15 LEU . 18342 1 22 16 THR . 18342 1 23 17 LEU . 18342 1 24 18 LYS . 18342 1 25 19 LYS . 18342 1 26 20 ILE . 18342 1 27 21 GLN . 18342 1 28 22 ALA . 18342 1 29 23 PRO . 18342 1 30 24 LYS . 18342 1 31 25 PHE . 18342 1 32 26 SER . 18342 1 33 27 ILE . 18342 1 34 28 GLU . 18342 1 35 29 HIS . 18342 1 36 30 ASP . 18342 1 37 31 PHE . 18342 1 38 32 SER . 18342 1 39 33 PRO . 18342 1 40 34 SER . 18342 1 41 35 ASP . 18342 1 42 36 THR . 18342 1 43 37 ILE . 18342 1 44 38 LEU . 18342 1 45 39 GLN . 18342 1 46 40 ILE . 18342 1 47 41 LYS . 18342 1 48 42 GLN . 18342 1 49 43 HIS . 18342 1 50 44 LEU . 18342 1 51 45 ILE . 18342 1 52 46 SER . 18342 1 53 47 GLU . 18342 1 54 48 GLU . 18342 1 55 49 LYS . 18342 1 56 50 ALA . 18342 1 57 51 SER . 18342 1 58 52 HIS . 18342 1 59 53 ILE . 18342 1 60 54 SER . 18342 1 61 55 GLU . 18342 1 62 56 ILE . 18342 1 63 57 LYS . 18342 1 64 58 LEU . 18342 1 65 59 LEU . 18342 1 66 60 LEU . 18342 1 67 61 LYS . 18342 1 68 62 GLY . 18342 1 69 63 LYS . 18342 1 70 64 VAL . 18342 1 71 65 LEU . 18342 1 72 66 HIS . 18342 1 73 67 ASP . 18342 1 74 68 ASN . 18342 1 75 69 LEU . 18342 1 76 70 PHE . 18342 1 77 71 LEU . 18342 1 78 72 SER . 18342 1 79 73 ASP . 18342 1 80 74 LEU . 18342 1 81 75 LYS . 18342 1 82 76 VAL . 18342 1 83 77 THR . 18342 1 84 78 PRO . 18342 1 85 79 ALA . 18342 1 86 80 ASN . 18342 1 87 81 SER . 18342 1 88 82 THR . 18342 1 89 83 ILE . 18342 1 90 84 THR . 18342 1 91 85 VAL . 18342 1 92 86 MET . 18342 1 93 87 ILE . 18342 1 94 88 LYS . 18342 1 95 89 PRO . 18342 1 96 90 ASN . 18342 1 97 91 PRO . 18342 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 . ALA 1 1 18342 1 . HIS 2 2 18342 1 . HIS 3 3 18342 1 . HIS 4 4 18342 1 . HIS 5 5 18342 1 . HIS 6 6 18342 1 . HIS 7 7 18342 1 . VAL 8 8 18342 1 . ASP 9 9 18342 1 . ASP 10 10 18342 1 . ASP 11 11 18342 1 . ASP 12 12 18342 1 . LYS 13 13 18342 1 . MET 14 14 18342 1 . ASP 15 15 18342 1 . ASN 16 16 18342 1 . ALA 17 17 18342 1 . ALA 18 18 18342 1 . VAL 19 19 18342 1 . HIS 20 20 18342 1 . LEU 21 21 18342 1 . THR 22 22 18342 1 . LEU 23 23 18342 1 . LYS 24 24 18342 1 . LYS 25 25 18342 1 . ILE 26 26 18342 1 . GLN 27 27 18342 1 . ALA 28 28 18342 1 . PRO 29 29 18342 1 . LYS 30 30 18342 1 . PHE 31 31 18342 1 . SER 32 32 18342 1 . ILE 33 33 18342 1 . GLU 34 34 18342 1 . HIS 35 35 18342 1 . ASP 36 36 18342 1 . PHE 37 37 18342 1 . SER 38 38 18342 1 . PRO 39 39 18342 1 . SER 40 40 18342 1 . ASP 41 41 18342 1 . THR 42 42 18342 1 . ILE 43 43 18342 1 . LEU 44 44 18342 1 . GLN 45 45 18342 1 . ILE 46 46 18342 1 . LYS 47 47 18342 1 . GLN 48 48 18342 1 . HIS 49 49 18342 1 . LEU 50 50 18342 1 . ILE 51 51 18342 1 . SER 52 52 18342 1 . GLU 53 53 18342 1 . GLU 54 54 18342 1 . LYS 55 55 18342 1 . ALA 56 56 18342 1 . SER 57 57 18342 1 . HIS 58 58 18342 1 . ILE 59 59 18342 1 . SER 60 60 18342 1 . GLU 61 61 18342 1 . ILE 62 62 18342 1 . LYS 63 63 18342 1 . LEU 64 64 18342 1 . LEU 65 65 18342 1 . LEU 66 66 18342 1 . LYS 67 67 18342 1 . GLY 68 68 18342 1 . LYS 69 69 18342 1 . VAL 70 70 18342 1 . LEU 71 71 18342 1 . HIS 72 72 18342 1 . ASP 73 73 18342 1 . ASN 74 74 18342 1 . LEU 75 75 18342 1 . PHE 76 76 18342 1 . LEU 77 77 18342 1 . SER 78 78 18342 1 . ASP 79 79 18342 1 . LEU 80 80 18342 1 . LYS 81 81 18342 1 . VAL 82 82 18342 1 . THR 83 83 18342 1 . PRO 84 84 18342 1 . ALA 85 85 18342 1 . ASN 86 86 18342 1 . SER 87 87 18342 1 . THR 88 88 18342 1 . ILE 89 89 18342 1 . THR 90 90 18342 1 . VAL 91 91 18342 1 . MET 92 92 18342 1 . ILE 93 93 18342 1 . LYS 94 94 18342 1 . PRO 95 95 18342 1 . ASN 96 96 18342 1 . PRO 97 97 18342 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 18342 _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 $Get5_ubl . 4932 organism . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 18342 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 18342 _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 $Get5_ubl . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET46 . . . . . . 18342 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18342 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; S. cerevisiae Get5 UBL domain (70-152 of full-length protein) with 14 amino acid tag MAHHHHHHVDDDDKdnaavhltlkkiqapkfsiehdfspsdtilqikqhliseekashiseiklllkgkvlhdnlflsdlkvtpanstitvmikpnp ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Get5_ubl '[U-98% 13C; U-98% 15N]' . . 1 $Get5_ubl . . 700 . . uM . . . . 18342 1 2 MES 'natural abundance' . . . . . . 100 . . mM . . . . 18342 1 3 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 18342 1 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 18342 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18342 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18342 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18342 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; S. cerevisiae Get5 UBL domain (70-152 of full-length protein) with 14 amino acid tag MAHHHHHHVDDDDKdnaavhltlkkiqapkfsiehdfspsdtilqikqhliseekashiseiklllkgkvlhdnlflsdlkvtpanstitvmikpnp ; _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 Get5_ubl '[U-98% 13C; U-98% 15N]' . . 1 $Get5_ubl . . 700 . . uM . . . . 18342 2 2 MES 'natural abundance' . . . . . . 100 . . mM . . . . 18342 2 3 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 18342 2 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 18342 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18342 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18342 _Sample_condition_list.ID 1 _Sample_condition_list.Details '100mM MES, 150mM KCl, 0.5mM TCEP' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.25 . M 18342 1 pH 6 . pH 18342 1 pressure 1 . atm 18342 1 temperature 308 . K 18342 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18342 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18342 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18342 1 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 18342 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18342 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18342 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 18342 1 2 spectrometer_2 Bruker Avance . 800 . . . 18342 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 18342 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18342 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18342 1 3 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18342 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18342 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18342 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18342 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18342 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18342 1 9 '3D (H)CCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18342 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 18342 _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 . . . . . . . . . 18342 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18342 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18342 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_assignments_get5_ubl_minus1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assignments_get5_ubl_minus1 _Assigned_chem_shift_list.Entry_ID 18342 _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' . . . 18342 1 2 '3D HNCACB' . . . 18342 1 3 '3D HBHA(CO)NH' . . . 18342 1 4 '3D HNCO' . . . 18342 1 5 '3D HN(CA)CO' . . . 18342 1 6 '3D CBCA(CO)NH' . . . 18342 1 7 '3D C(CO)NH' . . . 18342 1 8 '3D HCCH-TOCSY' . . . 18342 1 9 '3D (H)CCH-TOCSY' . . . 18342 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 7 7 HIS HA H 1 4.594 0.03 . 1 . . . . 1 HIS HA . 18342 1 2 . 1 1 7 7 HIS HB2 H 1 3.039 0.03 . 2 . . . . 1 HIS HB2 . 18342 1 3 . 1 1 7 7 HIS HB3 H 1 3.099 0.03 . 2 . . . . 1 HIS HB3 . 18342 1 4 . 1 1 7 7 HIS C C 13 174.448 0.50 . 1 . . . . 1 HIS C . 18342 1 5 . 1 1 7 7 HIS CA C 13 55.999 0.50 . 1 . . . . 1 HIS CA . 18342 1 6 . 1 1 7 7 HIS CB C 13 29.733 0.50 . 1 . . . . 1 HIS CB . 18342 1 7 . 1 1 8 8 VAL H H 1 8.079 0.03 . 1 . . . . 2 VAL HN . 18342 1 8 . 1 1 8 8 VAL HA H 1 4.052 0.03 . 1 . . . . 2 VAL HA . 18342 1 9 . 1 1 8 8 VAL HB H 1 2.016 0.03 . 1 . . . . 2 VAL HB . 18342 1 10 . 1 1 8 8 VAL HG11 H 1 0.866 0.03 . 1 . . . . 2 VAL HG11 . 18342 1 11 . 1 1 8 8 VAL HG12 H 1 0.866 0.03 . 1 . . . . 2 VAL HG11 . 18342 1 12 . 1 1 8 8 VAL HG13 H 1 0.866 0.03 . 1 . . . . 2 VAL HG11 . 18342 1 13 . 1 1 8 8 VAL HG21 H 1 0.866 0.03 . 1 . . . . 2 VAL HG21 . 18342 1 14 . 1 1 8 8 VAL HG22 H 1 0.866 0.03 . 1 . . . . 2 VAL HG21 . 18342 1 15 . 1 1 8 8 VAL HG23 H 1 0.866 0.03 . 1 . . . . 2 VAL HG21 . 18342 1 16 . 1 1 8 8 VAL C C 13 175.538 0.50 . 1 . . . . 2 VAL C . 18342 1 17 . 1 1 8 8 VAL CA C 13 62.487 0.50 . 1 . . . . 2 VAL CA . 18342 1 18 . 1 1 8 8 VAL CB C 13 32.860 0.50 . 1 . . . . 2 VAL CB . 18342 1 19 . 1 1 8 8 VAL CG1 C 13 21.339 0.50 . 2 . . . . 2 VAL CG1 . 18342 1 20 . 1 1 8 8 VAL CG2 C 13 20.436 0.50 . 2 . . . . 2 VAL CG2 . 18342 1 21 . 1 1 8 8 VAL N N 15 121.725 0.20 . 1 . . . . 2 VAL N . 18342 1 22 . 1 1 9 9 ASP H H 1 8.377 0.03 . 1 . . . . 3 ASP HN . 18342 1 23 . 1 1 9 9 ASP C C 13 176.021 0.50 . 1 . . . . 3 ASP C . 18342 1 24 . 1 1 9 9 ASP CA C 13 54.592 0.50 . 1 . . . . 3 ASP CA . 18342 1 25 . 1 1 9 9 ASP CB C 13 41.303 0.50 . 1 . . . . 3 ASP CB . 18342 1 26 . 1 1 9 9 ASP N N 15 122.997 0.20 . 1 . . . . 3 ASP N . 18342 1 27 . 1 1 10 10 ASP HA H 1 4.524 0.03 . 1 . . . . 4 ASP HA . 18342 1 28 . 1 1 10 10 ASP HB2 H 1 2.718 0.03 . 2 . . . . 4 ASP HB2 . 18342 1 29 . 1 1 10 10 ASP HB3 H 1 2.608 0.03 . 2 . . . . 4 ASP HB3 . 18342 1 30 . 1 1 10 10 ASP C C 13 176.021 0.50 . 1 . . . . 4 ASP C . 18342 1 31 . 1 1 10 10 ASP CA C 13 54.670 0.50 . 1 . . . . 4 ASP CA . 18342 1 32 . 1 1 10 10 ASP CB C 13 41.224 0.50 . 1 . . . . 4 ASP CB . 18342 1 33 . 1 1 11 11 ASP H H 1 8.138 0.03 . 1 . . . . 5 ASP HN . 18342 1 34 . 1 1 11 11 ASP HA H 1 4.554 0.03 . 1 . . . . 5 ASP HA . 18342 1 35 . 1 1 11 11 ASP HB2 H 1 2.698 0.03 . 2 . . . . 5 ASP HB2 . 18342 1 36 . 1 1 11 11 ASP HB3 H 1 2.588 0.03 . 2 . . . . 5 ASP HB3 . 18342 1 37 . 1 1 11 11 ASP C C 13 176.128 0.50 . 1 . . . . 5 ASP C . 18342 1 38 . 1 1 11 11 ASP CA C 13 54.670 0.50 . 1 . . . . 5 ASP CA . 18342 1 39 . 1 1 11 11 ASP CB C 13 41.224 0.50 . 1 . . . . 5 ASP CB . 18342 1 40 . 1 1 11 11 ASP N N 15 120.096 0.20 . 1 . . . . 5 ASP N . 18342 1 41 . 1 1 12 12 ASP H H 1 8.200 0.03 . 1 . . . . 6 ASP HN . 18342 1 42 . 1 1 12 12 ASP HA H 1 4.534 0.03 . 1 . . . . 6 ASP HA . 18342 1 43 . 1 1 12 12 ASP HB2 H 1 2.708 0.03 . 2 . . . . 6 ASP HB2 . 18342 1 44 . 1 1 12 12 ASP HB3 H 1 2.608 0.03 . 2 . . . . 6 ASP HB3 . 18342 1 45 . 1 1 12 12 ASP C C 13 176.146 0.50 . 1 . . . . 6 ASP C . 18342 1 46 . 1 1 12 12 ASP CA C 13 54.748 0.50 . 1 . . . . 6 ASP CA . 18342 1 47 . 1 1 12 12 ASP CB C 13 41.146 0.50 . 1 . . . . 6 ASP CB . 18342 1 48 . 1 1 12 12 ASP N N 15 120.157 0.20 . 1 . . . . 6 ASP N . 18342 1 49 . 1 1 13 13 LYS H H 1 8.025 0.03 . 1 . . . . 7 LYS HN . 18342 1 50 . 1 1 13 13 LYS HA H 1 4.253 0.03 . 1 . . . . 7 LYS HA . 18342 1 51 . 1 1 13 13 LYS HB2 H 1 1.755 0.03 . 2 . . . . 7 LYS HB2 . 18342 1 52 . 1 1 13 13 LYS HB3 H 1 1.835 0.03 . 2 . . . . 7 LYS HB3 . 18342 1 53 . 1 1 13 13 LYS HG2 H 1 1.394 0.03 . 2 . . . . 7 LYS HG2 . 18342 1 54 . 1 1 13 13 LYS HG3 H 1 1.414 0.03 . 2 . . . . 7 LYS HG3 . 18342 1 55 . 1 1 13 13 LYS HD2 H 1 1.654 0.03 . 2 . . . . 7 LYS HD2 . 18342 1 56 . 1 1 13 13 LYS HD3 H 1 1.654 0.03 . 2 . . . . 7 LYS HD3 . 18342 1 57 . 1 1 13 13 LYS HE2 H 1 2.969 0.03 . 2 . . . . 7 LYS HE2 . 18342 1 58 . 1 1 13 13 LYS HE3 H 1 2.969 0.03 . 2 . . . . 7 LYS HE3 . 18342 1 59 . 1 1 13 13 LYS C C 13 176.771 0.50 . 1 . . . . 7 LYS C . 18342 1 60 . 1 1 13 13 LYS CA C 13 56.555 0.50 . 1 . . . . 7 LYS CA . 18342 1 61 . 1 1 13 13 LYS CB C 13 32.877 0.50 . 1 . . . . 7 LYS CB . 18342 1 62 . 1 1 13 13 LYS CG C 13 24.650 0.50 . 1 . . . . 7 LYS CG . 18342 1 63 . 1 1 13 13 LYS CD C 13 28.864 0.50 . 1 . . . . 7 LYS CD . 18342 1 64 . 1 1 13 13 LYS CE C 13 42.107 0.50 . 1 . . . . 7 LYS CE . 18342 1 65 . 1 1 13 13 LYS N N 15 120.572 0.20 . 1 . . . . 7 LYS N . 18342 1 66 . 1 1 14 14 MET H H 1 8.211 0.03 . 1 . . . . 8 MET HN . 18342 1 67 . 1 1 14 14 MET HA H 1 4.403 0.03 . 1 . . . . 8 MET HA . 18342 1 68 . 1 1 14 14 MET HB2 H 1 2.056 0.03 . 2 . . . . 8 MET HB2 . 18342 1 69 . 1 1 14 14 MET HB3 H 1 1.986 0.03 . 2 . . . . 8 MET HB3 . 18342 1 70 . 1 1 14 14 MET HG2 H 1 2.484 0.03 . 2 . . . . 8 MET HG2 . 18342 1 71 . 1 1 14 14 MET HG3 H 1 2.568 0.03 . 2 . . . . 8 MET HG3 . 18342 1 72 . 1 1 14 14 MET HE1 H 1 0.852 0.03 . 1 . . . . 8 MET HE1 . 18342 1 73 . 1 1 14 14 MET HE2 H 1 0.852 0.03 . 1 . . . . 8 MET HE1 . 18342 1 74 . 1 1 14 14 MET HE3 H 1 0.852 0.03 . 1 . . . . 8 MET HE1 . 18342 1 75 . 1 1 14 14 MET C C 13 176.021 0.50 . 1 . . . . 8 MET C . 18342 1 76 . 1 1 14 14 MET CA C 13 55.921 0.50 . 1 . . . . 8 MET CA . 18342 1 77 . 1 1 14 14 MET CB C 13 32.704 0.50 . 1 . . . . 8 MET CB . 18342 1 78 . 1 1 14 14 MET CG C 13 32.175 0.50 . 1 . . . . 8 MET CG . 18342 1 79 . 1 1 14 14 MET CE C 13 16.824 0.50 . 1 . . . . 8 MET CE . 18342 1 80 . 1 1 14 14 MET N N 15 120.496 0.20 . 1 . . . . 8 MET N . 18342 1 81 . 1 1 15 15 ASP H H 1 8.258 0.03 . 1 . . . . 9 ASP HN . 18342 1 82 . 1 1 15 15 ASP CA C 13 54.436 0.50 . 1 . . . . 9 ASP CA . 18342 1 83 . 1 1 15 15 ASP CB C 13 41.224 0.50 . 1 . . . . 9 ASP CB . 18342 1 84 . 1 1 15 15 ASP N N 15 121.316 0.20 . 1 . . . . 9 ASP N . 18342 1 85 . 1 1 16 16 ASN HA H 1 4.664 0.03 . 1 . . . . 10 ASN HA . 18342 1 86 . 1 1 16 16 ASN HB2 H 1 2.798 0.03 . 2 . . . . 10 ASN HB2 . 18342 1 87 . 1 1 16 16 ASN HB3 H 1 2.718 0.03 . 2 . . . . 10 ASN HB3 . 18342 1 88 . 1 1 16 16 ASN C C 13 174.680 0.50 . 1 . . . . 10 ASN C . 18342 1 89 . 1 1 16 16 ASN CA C 13 53.107 0.50 . 1 . . . . 10 ASN CA . 18342 1 90 . 1 1 16 16 ASN CB C 13 39.036 0.50 . 1 . . . . 10 ASN CB . 18342 1 91 . 1 1 17 17 ALA H H 1 8.003 0.03 . 1 . . . . 11 ALA HN . 18342 1 92 . 1 1 17 17 ALA HA H 1 4.263 0.03 . 1 . . . . 11 ALA HA . 18342 1 93 . 1 1 17 17 ALA HB1 H 1 1.353 0.03 . 1 . . . . 11 ALA HB1 . 18342 1 94 . 1 1 17 17 ALA HB2 H 1 1.353 0.03 . 1 . . . . 11 ALA HB1 . 18342 1 95 . 1 1 17 17 ALA HB3 H 1 1.353 0.03 . 1 . . . . 11 ALA HB1 . 18342 1 96 . 1 1 17 17 ALA C C 13 176.485 0.50 . 1 . . . . 11 ALA C . 18342 1 97 . 1 1 17 17 ALA CA C 13 52.325 0.50 . 1 . . . . 11 ALA CA . 18342 1 98 . 1 1 17 17 ALA CB C 13 19.414 0.50 . 1 . . . . 11 ALA CB . 18342 1 99 . 1 1 17 17 ALA N N 15 123.877 0.20 . 1 . . . . 11 ALA N . 18342 1 100 . 1 1 18 18 ALA H H 1 7.875 0.03 . 1 . . . . 12 ALA HN . 18342 1 101 . 1 1 18 18 ALA HA H 1 4.484 0.03 . 1 . . . . 12 ALA HA . 18342 1 102 . 1 1 18 18 ALA HB1 H 1 1.223 0.03 . 1 . . . . 12 ALA HB1 . 18342 1 103 . 1 1 18 18 ALA HB2 H 1 1.223 0.03 . 1 . . . . 12 ALA HB1 . 18342 1 104 . 1 1 18 18 ALA HB3 H 1 1.223 0.03 . 1 . . . . 12 ALA HB1 . 18342 1 105 . 1 1 18 18 ALA C C 13 176.825 0.50 . 1 . . . . 12 ALA C . 18342 1 106 . 1 1 18 18 ALA CA C 13 52.090 0.50 . 1 . . . . 12 ALA CA . 18342 1 107 . 1 1 18 18 ALA CB C 13 20.587 0.50 . 1 . . . . 12 ALA CB . 18342 1 108 . 1 1 18 18 ALA N N 15 121.043 0.20 . 1 . . . . 12 ALA N . 18342 1 109 . 1 1 19 19 VAL H H 1 8.925 0.03 . 1 . . . . 13 VAL HN . 18342 1 110 . 1 1 19 19 VAL HA H 1 4.102 0.03 . 1 . . . . 13 VAL HA . 18342 1 111 . 1 1 19 19 VAL HB H 1 1.845 0.03 . 1 . . . . 13 VAL HB . 18342 1 112 . 1 1 19 19 VAL HG11 H 1 0.782 0.03 . 1 . . . . 13 VAL HG11 . 18342 1 113 . 1 1 19 19 VAL HG12 H 1 0.782 0.03 . 1 . . . . 13 VAL HG11 . 18342 1 114 . 1 1 19 19 VAL HG13 H 1 0.782 0.03 . 1 . . . . 13 VAL HG11 . 18342 1 115 . 1 1 19 19 VAL HG21 H 1 0.822 0.03 . 1 . . . . 13 VAL HG21 . 18342 1 116 . 1 1 19 19 VAL HG22 H 1 0.822 0.03 . 1 . . . . 13 VAL HG21 . 18342 1 117 . 1 1 19 19 VAL HG23 H 1 0.822 0.03 . 1 . . . . 13 VAL HG21 . 18342 1 118 . 1 1 19 19 VAL C C 13 174.412 0.50 . 1 . . . . 13 VAL C . 18342 1 119 . 1 1 19 19 VAL CA C 13 61.170 0.50 . 1 . . . . 13 VAL CA . 18342 1 120 . 1 1 19 19 VAL CB C 13 32.860 0.50 . 1 . . . . 13 VAL CB . 18342 1 121 . 1 1 19 19 VAL CG1 C 13 20.536 0.50 . 2 . . . . 13 VAL CG1 . 18342 1 122 . 1 1 19 19 VAL CG2 C 13 21.038 0.50 . 2 . . . . 13 VAL CG2 . 18342 1 123 . 1 1 19 19 VAL N N 15 121.198 0.20 . 1 . . . . 13 VAL N . 18342 1 124 . 1 1 20 20 HIS H H 1 8.734 0.03 . 1 . . . . 14 HIS HN . 18342 1 125 . 1 1 20 20 HIS HA H 1 5.005 0.03 . 1 . . . . 14 HIS HA . 18342 1 126 . 1 1 20 20 HIS HB2 H 1 3.300 0.03 . 2 . . . . 14 HIS HB2 . 18342 1 127 . 1 1 20 20 HIS HB3 H 1 3.019 0.03 . 2 . . . . 14 HIS HB3 . 18342 1 128 . 1 1 20 20 HIS C C 13 173.858 0.50 . 1 . . . . 14 HIS C . 18342 1 129 . 1 1 20 20 HIS CA C 13 56.077 0.50 . 1 . . . . 14 HIS CA . 18342 1 130 . 1 1 20 20 HIS CB C 13 28.639 0.50 . 1 . . . . 14 HIS CB . 18342 1 131 . 1 1 20 20 HIS N N 15 127.772 0.20 . 1 . . . . 14 HIS N . 18342 1 132 . 1 1 21 21 LEU H H 1 8.168 0.03 . 1 . . . . 15 LEU HN . 18342 1 133 . 1 1 21 21 LEU HA H 1 5.146 0.03 . 1 . . . . 15 LEU HA . 18342 1 134 . 1 1 21 21 LEU HB2 H 1 1.705 0.03 . 2 . . . . 15 LEU HB2 . 18342 1 135 . 1 1 21 21 LEU HB3 H 1 1.333 0.03 . 2 . . . . 15 LEU HB3 . 18342 1 136 . 1 1 21 21 LEU HG H 1 1.474 0.03 . 1 . . . . 15 LEU HG . 18342 1 137 . 1 1 21 21 LEU HD11 H 1 0.822 0.03 . 1 . . . . 15 LEU HD11 . 18342 1 138 . 1 1 21 21 LEU HD12 H 1 0.822 0.03 . 1 . . . . 15 LEU HD11 . 18342 1 139 . 1 1 21 21 LEU HD13 H 1 0.822 0.03 . 1 . . . . 15 LEU HD11 . 18342 1 140 . 1 1 21 21 LEU HD21 H 1 0.641 0.03 . 1 . . . . 15 LEU HD21 . 18342 1 141 . 1 1 21 21 LEU HD22 H 1 0.641 0.03 . 1 . . . . 15 LEU HD21 . 18342 1 142 . 1 1 21 21 LEU HD23 H 1 0.641 0.03 . 1 . . . . 15 LEU HD21 . 18342 1 143 . 1 1 21 21 LEU C C 13 175.663 0.50 . 1 . . . . 15 LEU C . 18342 1 144 . 1 1 21 21 LEU CA C 13 53.445 0.50 . 1 . . . . 15 LEU CA . 18342 1 145 . 1 1 21 21 LEU CB C 13 46.697 0.50 . 1 . . . . 15 LEU CB . 18342 1 146 . 1 1 21 21 LEU CG C 13 28.462 0.50 . 1 . . . . 15 LEU CG . 18342 1 147 . 1 1 21 21 LEU CD1 C 13 24.048 0.50 . 2 . . . . 15 LEU CD1 . 18342 1 148 . 1 1 21 21 LEU CD2 C 13 26.556 0.50 . 2 . . . . 15 LEU CD2 . 18342 1 149 . 1 1 21 21 LEU N N 15 125.604 0.20 . 1 . . . . 15 LEU N . 18342 1 150 . 1 1 22 22 THR H H 1 8.402 0.03 . 1 . . . . 16 THR HN . 18342 1 151 . 1 1 22 22 THR HA H 1 4.855 0.03 . 1 . . . . 16 THR HA . 18342 1 152 . 1 1 22 22 THR HB H 1 4.082 0.03 . 1 . . . . 16 THR HB . 18342 1 153 . 1 1 22 22 THR HG21 H 1 1.113 0.03 . 1 . . . . 16 THR HG21 . 18342 1 154 . 1 1 22 22 THR HG22 H 1 1.113 0.03 . 1 . . . . 16 THR HG21 . 18342 1 155 . 1 1 22 22 THR HG23 H 1 1.113 0.03 . 1 . . . . 16 THR HG21 . 18342 1 156 . 1 1 22 22 THR C C 13 172.965 0.50 . 1 . . . . 16 THR C . 18342 1 157 . 1 1 22 22 THR CA C 13 62.253 0.50 . 1 . . . . 16 THR CA . 18342 1 158 . 1 1 22 22 THR CB C 13 69.497 0.50 . 1 . . . . 16 THR CB . 18342 1 159 . 1 1 22 22 THR CG2 C 13 21.540 0.50 . 1 . . . . 16 THR CG2 . 18342 1 160 . 1 1 22 22 THR N N 15 116.787 0.20 . 1 . . . . 16 THR N . 18342 1 161 . 1 1 23 23 LEU H H 1 9.736 0.03 . 1 . . . . 17 LEU HN . 18342 1 162 . 1 1 23 23 LEU HA H 1 5.066 0.03 . 1 . . . . 17 LEU HA . 18342 1 163 . 1 1 23 23 LEU HB2 H 1 2.232 0.03 . 2 . . . . 17 LEU HB2 . 18342 1 164 . 1 1 23 23 LEU HB3 H 1 1.203 0.03 . 2 . . . . 17 LEU HB3 . 18342 1 165 . 1 1 23 23 LEU HG H 1 1.773 0.03 . 1 . . . . 17 LEU HG . 18342 1 166 . 1 1 23 23 LEU HD11 H 1 0.960 0.03 . 2 . . . . 17 LEU HD11 . 18342 1 167 . 1 1 23 23 LEU HD12 H 1 0.960 0.03 . 2 . . . . 17 LEU HD11 . 18342 1 168 . 1 1 23 23 LEU HD13 H 1 0.960 0.03 . 2 . . . . 17 LEU HD11 . 18342 1 169 . 1 1 23 23 LEU HD21 H 1 0.782 0.03 . 1 . . . . 17 LEU HD21 . 18342 1 170 . 1 1 23 23 LEU HD22 H 1 0.782 0.03 . 1 . . . . 17 LEU HD21 . 18342 1 171 . 1 1 23 23 LEU HD23 H 1 0.782 0.03 . 1 . . . . 17 LEU HD21 . 18342 1 172 . 1 1 23 23 LEU C C 13 174.377 0.50 . 1 . . . . 17 LEU C . 18342 1 173 . 1 1 23 23 LEU CA C 13 52.737 0.50 . 1 . . . . 17 LEU CA . 18342 1 174 . 1 1 23 23 LEU CB C 13 41.606 0.50 . 1 . . . . 17 LEU CB . 18342 1 175 . 1 1 23 23 LEU CG C 13 26.957 0.50 . 1 . . . . 17 LEU CG . 18342 1 176 . 1 1 23 23 LEU CD1 C 13 25.849 0.50 . 2 . . . . 17 LEU CD1 . 18342 1 177 . 1 1 23 23 LEU CD2 C 13 24.544 0.50 . 2 . . . . 17 LEU CD2 . 18342 1 178 . 1 1 23 23 LEU N N 15 128.157 0.20 . 1 . . . . 17 LEU N . 18342 1 179 . 1 1 24 24 LYS H H 1 8.798 0.03 . 1 . . . . 18 LYS HN . 18342 1 180 . 1 1 24 24 LYS HA H 1 5.086 0.03 . 1 . . . . 18 LYS HA . 18342 1 181 . 1 1 24 24 LYS HB2 H 1 1.705 0.03 . 2 . . . . 18 LYS HB2 . 18342 1 182 . 1 1 24 24 LYS HB3 H 1 1.454 0.03 . 2 . . . . 18 LYS HB3 . 18342 1 183 . 1 1 24 24 LYS HG2 H 1 1.184 0.03 . 2 . . . . 18 LYS HG2 . 18342 1 184 . 1 1 24 24 LYS HG3 H 1 1.374 0.03 . 2 . . . . 18 LYS HG3 . 18342 1 185 . 1 1 24 24 LYS HD2 H 1 1.596 0.03 . 2 . . . . 18 LYS HD2 . 18342 1 186 . 1 1 24 24 LYS HD3 H 1 1.590 0.03 . 2 . . . . 18 LYS HD3 . 18342 1 187 . 1 1 24 24 LYS HE2 H 1 2.878 0.03 . 2 . . . . 18 LYS HE2 . 18342 1 188 . 1 1 24 24 LYS HE3 H 1 2.878 0.03 . 2 . . . . 18 LYS HE3 . 18342 1 189 . 1 1 24 24 LYS C C 13 173.537 0.50 . 1 . . . . 18 LYS C . 18342 1 190 . 1 1 24 24 LYS CA C 13 55.145 0.50 . 1 . . . . 18 LYS CA . 18342 1 191 . 1 1 24 24 LYS CB C 13 36.612 0.50 . 1 . . . . 18 LYS CB . 18342 1 192 . 1 1 24 24 LYS CG C 13 25.252 0.50 . 1 . . . . 18 LYS CG . 18342 1 193 . 1 1 24 24 LYS CD C 13 29.767 0.50 . 1 . . . . 18 LYS CD . 18342 1 194 . 1 1 24 24 LYS CE C 13 41.907 0.50 . 1 . . . . 18 LYS CE . 18342 1 195 . 1 1 24 24 LYS N N 15 124.534 0.20 . 1 . . . . 18 LYS N . 18342 1 196 . 1 1 25 25 LYS H H 1 8.281 0.03 . 1 . . . . 19 LYS HN . 18342 1 197 . 1 1 25 25 LYS HA H 1 4.785 0.03 . 1 . . . . 19 LYS HA . 18342 1 198 . 1 1 25 25 LYS HB2 H 1 0.681 0.03 . 2 . . . . 19 LYS HB2 . 18342 1 199 . 1 1 25 25 LYS HB3 H 1 0.370 0.03 . 2 . . . . 19 LYS HB3 . 18342 1 200 . 1 1 25 25 LYS HG2 H 1 1.353 0.03 . 2 . . . . 19 LYS HG2 . 18342 1 201 . 1 1 25 25 LYS HG3 H 1 1.540 0.03 . 2 . . . . 19 LYS HG3 . 18342 1 202 . 1 1 25 25 LYS HD2 H 1 1.520 0.03 . 2 . . . . 19 LYS HD2 . 18342 1 203 . 1 1 25 25 LYS HD3 H 1 1.710 0.03 . 2 . . . . 19 LYS HD3 . 18342 1 204 . 1 1 25 25 LYS HE2 H 1 3.129 0.03 . 2 . . . . 19 LYS HE2 . 18342 1 205 . 1 1 25 25 LYS HE3 H 1 3.099 0.03 . 2 . . . . 19 LYS HE3 . 18342 1 206 . 1 1 25 25 LYS C C 13 176.539 0.50 . 1 . . . . 19 LYS C . 18342 1 207 . 1 1 25 25 LYS CA C 13 55.061 0.50 . 1 . . . . 19 LYS CA . 18342 1 208 . 1 1 25 25 LYS CB C 13 34.582 0.50 . 1 . . . . 19 LYS CB . 18342 1 209 . 1 1 25 25 LYS CG C 13 24.850 0.50 . 1 . . . . 19 LYS CG . 18342 1 210 . 1 1 25 25 LYS CD C 13 30.770 0.50 . 1 . . . . 19 LYS CD . 18342 1 211 . 1 1 25 25 LYS CE C 13 42.709 0.50 . 1 . . . . 19 LYS CE . 18342 1 212 . 1 1 25 25 LYS N N 15 129.202 0.20 . 1 . . . . 19 LYS N . 18342 1 213 . 1 1 26 26 ILE H H 1 8.274 0.03 . 1 . . . . 20 ILE HN . 18342 1 214 . 1 1 26 26 ILE HA H 1 4.082 0.03 . 1 . . . . 20 ILE HA . 18342 1 215 . 1 1 26 26 ILE HB H 1 1.965 0.03 . 1 . . . . 20 ILE HB . 18342 1 216 . 1 1 26 26 ILE HG12 H 1 1.364 0.03 . 9 . . . . 20 ILE HG12 . 18342 1 217 . 1 1 26 26 ILE HG13 H 1 1.133 0.03 . 9 . . . . 20 ILE HG13 . 18342 1 218 . 1 1 26 26 ILE HG21 H 1 0.857 0.03 . 1 . . . . 20 ILE HG21 . 18342 1 219 . 1 1 26 26 ILE HG22 H 1 0.857 0.03 . 1 . . . . 20 ILE HG21 . 18342 1 220 . 1 1 26 26 ILE HG23 H 1 0.857 0.03 . 1 . . . . 20 ILE HG21 . 18342 1 221 . 1 1 26 26 ILE HD11 H 1 0.848 0.03 . 1 . . . . 20 ILE HD11 . 18342 1 222 . 1 1 26 26 ILE HD12 H 1 0.848 0.03 . 1 . . . . 20 ILE HD11 . 18342 1 223 . 1 1 26 26 ILE HD13 H 1 0.848 0.03 . 1 . . . . 20 ILE HD11 . 18342 1 224 . 1 1 26 26 ILE C C 13 175.842 0.50 . 1 . . . . 20 ILE C . 18342 1 225 . 1 1 26 26 ILE CA C 13 62.274 0.50 . 1 . . . . 20 ILE CA . 18342 1 226 . 1 1 26 26 ILE CB C 13 38.645 0.50 . 1 . . . . 20 ILE CB . 18342 1 227 . 1 1 26 26 ILE CG1 C 13 27.058 0.50 . 1 . . . . 20 ILE CG1 . 18342 1 228 . 1 1 26 26 ILE CG2 C 13 18.128 0.50 . 1 . . . . 20 ILE CG2 . 18342 1 229 . 1 1 26 26 ILE CD1 C 13 13.212 0.50 . 1 . . . . 20 ILE CD1 . 18342 1 230 . 1 1 26 26 ILE N N 15 123.283 0.20 . 1 . . . . 20 ILE N . 18342 1 231 . 1 1 27 27 GLN H H 1 7.262 0.03 . 1 . . . . 21 GLN HN . 18342 1 232 . 1 1 27 27 GLN HA H 1 4.323 0.03 . 1 . . . . 21 GLN HA . 18342 1 233 . 1 1 27 27 GLN HB2 H 1 1.955 0.03 . 2 . . . . 21 GLN HB2 . 18342 1 234 . 1 1 27 27 GLN HB3 H 1 1.986 0.03 . 2 . . . . 21 GLN HB3 . 18342 1 235 . 1 1 27 27 GLN HG2 H 1 2.397 0.03 . 2 . . . . 21 GLN HG2 . 18342 1 236 . 1 1 27 27 GLN HG3 H 1 2.456 0.03 . 2 . . . . 21 GLN HG3 . 18342 1 237 . 1 1 27 27 GLN C C 13 175.288 0.50 . 1 . . . . 21 GLN C . 18342 1 238 . 1 1 27 27 GLN CA C 13 55.250 0.50 . 1 . . . . 21 GLN CA . 18342 1 239 . 1 1 27 27 GLN CB C 13 31.673 0.50 . 1 . . . . 21 GLN CB . 18342 1 240 . 1 1 27 27 GLN CG C 13 33.980 0.50 . 1 . . . . 21 GLN CG . 18342 1 241 . 1 1 27 27 GLN N N 15 120.862 0.20 . 1 . . . . 21 GLN N . 18342 1 242 . 1 1 28 28 ALA H H 1 8.615 0.03 . 1 . . . . 22 ALA HN . 18342 1 243 . 1 1 28 28 ALA HA H 1 4.330 0.03 . 1 . . . . 22 ALA HA . 18342 1 244 . 1 1 28 28 ALA HB1 H 1 1.380 0.03 . 1 . . . . 22 ALA HB1 . 18342 1 245 . 1 1 28 28 ALA HB2 H 1 1.380 0.03 . 1 . . . . 22 ALA HB1 . 18342 1 246 . 1 1 28 28 ALA HB3 H 1 1.380 0.03 . 1 . . . . 22 ALA HB1 . 18342 1 247 . 1 1 28 28 ALA C C 13 176.610 0.50 . 1 . . . . 22 ALA C . 18342 1 248 . 1 1 28 28 ALA CA C 13 51.230 0.50 . 1 . . . . 22 ALA CA . 18342 1 249 . 1 1 28 28 ALA CB C 13 17.622 0.50 . 1 . . . . 22 ALA CB . 18342 1 250 . 1 1 28 28 ALA N N 15 126.961 0.20 . 1 . . . . 22 ALA N . 18342 1 251 . 1 1 29 29 PRO HA H 1 4.604 0.03 . 1 . . . . 23 PRO HA . 18342 1 252 . 1 1 29 29 PRO HB2 H 1 2.236 0.03 . 2 . . . . 23 PRO HB2 . 18342 1 253 . 1 1 29 29 PRO HB3 H 1 2.417 0.03 . 2 . . . . 23 PRO HB3 . 18342 1 254 . 1 1 29 29 PRO HG2 H 1 2.194 0.03 . 2 . . . . 23 PRO HG2 . 18342 1 255 . 1 1 29 29 PRO HG3 H 1 1.961 0.03 . 2 . . . . 23 PRO HG3 . 18342 1 256 . 1 1 29 29 PRO HD2 H 1 3.625 0.03 . 2 . . . . 23 PRO HD2 . 18342 1 257 . 1 1 29 29 PRO HD3 H 1 3.532 0.03 . 2 . . . . 23 PRO HD3 . 18342 1 258 . 1 1 29 29 PRO C C 13 176.021 0.50 . 1 . . . . 23 PRO C . 18342 1 259 . 1 1 29 29 PRO CA C 13 62.331 0.50 . 1 . . . . 23 PRO CA . 18342 1 260 . 1 1 29 29 PRO CB C 13 33.407 0.50 . 1 . . . . 23 PRO CB . 18342 1 261 . 1 1 29 29 PRO CG C 13 25.452 0.50 . 1 . . . . 23 PRO CG . 18342 1 262 . 1 1 29 29 PRO CD C 13 51.037 0.50 . 1 . . . . 23 PRO CD . 18342 1 263 . 1 1 30 30 LYS H H 1 8.542 0.03 . 1 . . . . 24 LYS HN . 18342 1 264 . 1 1 30 30 LYS HA H 1 3.992 0.03 . 1 . . . . 24 LYS HA . 18342 1 265 . 1 1 30 30 LYS HB2 H 1 1.785 0.03 . 2 . . . . 24 LYS HB2 . 18342 1 266 . 1 1 30 30 LYS HB3 H 1 1.745 0.03 . 2 . . . . 24 LYS HB3 . 18342 1 267 . 1 1 30 30 LYS HG2 H 1 1.223 0.03 . 2 . . . . 24 LYS HG2 . 18342 1 268 . 1 1 30 30 LYS HG3 H 1 1.233 0.03 . 2 . . . . 24 LYS HG3 . 18342 1 269 . 1 1 30 30 LYS HD2 H 1 1.652 0.03 . 2 . . . . 24 LYS HD2 . 18342 1 270 . 1 1 30 30 LYS HD3 H 1 2.136 0.03 . 2 . . . . 24 LYS HD3 . 18342 1 271 . 1 1 30 30 LYS HE2 H 1 2.999 0.03 . 2 . . . . 24 LYS HE2 . 18342 1 272 . 1 1 30 30 LYS HE3 H 1 2.999 0.03 . 2 . . . . 24 LYS HE3 . 18342 1 273 . 1 1 30 30 LYS C C 13 177.432 0.50 . 1 . . . . 24 LYS C . 18342 1 274 . 1 1 30 30 LYS CA C 13 56.859 0.50 . 1 . . . . 24 LYS CA . 18342 1 275 . 1 1 30 30 LYS CB C 13 34.683 0.50 . 1 . . . . 24 LYS CB . 18342 1 276 . 1 1 30 30 LYS CG C 13 25.452 0.50 . 1 . . . . 24 LYS CG . 18342 1 277 . 1 1 30 30 LYS CD C 13 29.666 0.50 . 1 . . . . 24 LYS CD . 18342 1 278 . 1 1 30 30 LYS CE C 13 42.107 0.50 . 1 . . . . 24 LYS CE . 18342 1 279 . 1 1 30 30 LYS N N 15 126.302 0.20 . 1 . . . . 24 LYS N . 18342 1 280 . 1 1 31 31 PHE H H 1 7.646 0.03 . 1 . . . . 25 PHE HN . 18342 1 281 . 1 1 31 31 PHE HA H 1 4.915 0.03 . 1 . . . . 25 PHE HA . 18342 1 282 . 1 1 31 31 PHE HB2 H 1 3.370 0.03 . 2 . . . . 25 PHE HB2 . 18342 1 283 . 1 1 31 31 PHE HB3 H 1 3.210 0.03 . 2 . . . . 25 PHE HB3 . 18342 1 284 . 1 1 31 31 PHE C C 13 174.055 0.50 . 1 . . . . 25 PHE C . 18342 1 285 . 1 1 31 31 PHE CA C 13 57.797 0.50 . 1 . . . . 25 PHE CA . 18342 1 286 . 1 1 31 31 PHE CB C 13 41.104 0.50 . 1 . . . . 25 PHE CB . 18342 1 287 . 1 1 31 31 PHE N N 15 111.984 0.20 . 1 . . . . 25 PHE N . 18342 1 288 . 1 1 32 32 SER H H 1 8.708 0.03 . 1 . . . . 26 SER HN . 18342 1 289 . 1 1 32 32 SER HA H 1 5.346 0.03 . 1 . . . . 26 SER HA . 18342 1 290 . 1 1 32 32 SER HB2 H 1 3.842 0.03 . 2 . . . . 26 SER HB2 . 18342 1 291 . 1 1 32 32 SER HB3 H 1 3.641 0.03 . 2 . . . . 26 SER HB3 . 18342 1 292 . 1 1 32 32 SER C C 13 173.733 0.50 . 1 . . . . 26 SER C . 18342 1 293 . 1 1 32 32 SER CA C 13 57.797 0.50 . 1 . . . . 26 SER CA . 18342 1 294 . 1 1 32 32 SER CB C 13 63.894 0.50 . 1 . . . . 26 SER CB . 18342 1 295 . 1 1 32 32 SER N N 15 115.901 0.20 . 1 . . . . 26 SER N . 18342 1 296 . 1 1 33 33 ILE H H 1 9.131 0.03 . 1 . . . . 27 ILE HN . 18342 1 297 . 1 1 33 33 ILE HA H 1 4.825 0.03 . 1 . . . . 27 ILE HA . 18342 1 298 . 1 1 33 33 ILE HB H 1 2.006 0.03 . 1 . . . . 27 ILE HB . 18342 1 299 . 1 1 33 33 ILE HG12 H 1 1.540 0.03 . 9 . . . . 27 ILE HG12 . 18342 1 300 . 1 1 33 33 ILE HG13 H 1 1.278 0.03 . 9 . . . . 27 ILE HG13 . 18342 1 301 . 1 1 33 33 ILE HG21 H 1 0.960 0.03 . 1 . . . . 27 ILE HG21 . 18342 1 302 . 1 1 33 33 ILE HG22 H 1 0.960 0.03 . 1 . . . . 27 ILE HG21 . 18342 1 303 . 1 1 33 33 ILE HG23 H 1 0.960 0.03 . 1 . . . . 27 ILE HG21 . 18342 1 304 . 1 1 33 33 ILE HD11 H 1 0.586 0.03 . 1 . . . . 27 ILE HD11 . 18342 1 305 . 1 1 33 33 ILE HD12 H 1 0.586 0.03 . 1 . . . . 27 ILE HD11 . 18342 1 306 . 1 1 33 33 ILE HD13 H 1 0.586 0.03 . 1 . . . . 27 ILE HD11 . 18342 1 307 . 1 1 33 33 ILE C C 13 173.966 0.50 . 1 . . . . 27 ILE C . 18342 1 308 . 1 1 33 33 ILE CA C 13 59.908 0.50 . 1 . . . . 27 ILE CA . 18342 1 309 . 1 1 33 33 ILE CB C 13 42.241 0.50 . 1 . . . . 27 ILE CB . 18342 1 310 . 1 1 33 33 ILE CG1 C 13 26.651 0.50 . 1 . . . . 27 ILE CG1 . 18342 1 311 . 1 1 33 33 ILE CG2 C 13 17.526 0.50 . 1 . . . . 27 ILE CG2 . 18342 1 312 . 1 1 33 33 ILE CD1 C 13 13.613 0.50 . 1 . . . . 27 ILE CD1 . 18342 1 313 . 1 1 33 33 ILE N N 15 124.264 0.20 . 1 . . . . 27 ILE N . 18342 1 314 . 1 1 34 34 GLU H H 1 8.750 0.03 . 1 . . . . 28 GLU HN . 18342 1 315 . 1 1 34 34 GLU HA H 1 5.487 0.03 . 1 . . . . 28 GLU HA . 18342 1 316 . 1 1 34 34 GLU HB2 H 1 1.855 0.03 . 2 . . . . 28 GLU HB2 . 18342 1 317 . 1 1 34 34 GLU HB3 H 1 1.865 0.03 . 2 . . . . 28 GLU HB3 . 18342 1 318 . 1 1 34 34 GLU HG2 H 1 2.487 0.03 . 2 . . . . 28 GLU HG2 . 18342 1 319 . 1 1 34 34 GLU HG3 H 1 2.246 0.03 . 2 . . . . 28 GLU HG3 . 18342 1 320 . 1 1 34 34 GLU C C 13 176.307 0.50 . 1 . . . . 28 GLU C . 18342 1 321 . 1 1 34 34 GLU CA C 13 54.279 0.50 . 1 . . . . 28 GLU CA . 18342 1 322 . 1 1 34 34 GLU CB C 13 33.016 0.50 . 1 . . . . 28 GLU CB . 18342 1 323 . 1 1 34 34 GLU CG C 13 36.489 0.50 . 1 . . . . 28 GLU CG . 18342 1 324 . 1 1 34 34 GLU N N 15 123.067 0.20 . 1 . . . . 28 GLU N . 18342 1 325 . 1 1 35 35 HIS H H 1 8.541 0.03 . 1 . . . . 29 HIS HN . 18342 1 326 . 1 1 35 35 HIS HA H 1 4.373 0.03 . 1 . . . . 29 HIS HA . 18342 1 327 . 1 1 35 35 HIS HB2 H 1 2.236 0.03 . 2 . . . . 29 HIS HB2 . 18342 1 328 . 1 1 35 35 HIS HB3 H 1 2.618 0.03 . 2 . . . . 29 HIS HB3 . 18342 1 329 . 1 1 35 35 HIS C C 13 170.713 0.50 . 1 . . . . 29 HIS C . 18342 1 330 . 1 1 35 35 HIS CA C 13 55.686 0.50 . 1 . . . . 29 HIS CA . 18342 1 331 . 1 1 35 35 HIS CB C 13 31.844 0.50 . 1 . . . . 29 HIS CB . 18342 1 332 . 1 1 35 35 HIS N N 15 119.590 0.20 . 1 . . . . 29 HIS N . 18342 1 333 . 1 1 36 36 ASP H H 1 7.146 0.03 . 1 . . . . 30 ASP HN . 18342 1 334 . 1 1 36 36 ASP HA H 1 5.176 0.03 . 1 . . . . 30 ASP HA . 18342 1 335 . 1 1 36 36 ASP HB2 H 1 2.216 0.03 . 2 . . . . 30 ASP HB2 . 18342 1 336 . 1 1 36 36 ASP HB3 H 1 2.146 0.03 . 2 . . . . 30 ASP HB3 . 18342 1 337 . 1 1 36 36 ASP C C 13 174.412 0.50 . 1 . . . . 30 ASP C . 18342 1 338 . 1 1 36 36 ASP CA C 13 53.144 0.50 . 1 . . . . 30 ASP CA . 18342 1 339 . 1 1 36 36 ASP CB C 13 41.693 0.50 . 1 . . . . 30 ASP CB . 18342 1 340 . 1 1 36 36 ASP N N 15 123.926 0.20 . 1 . . . . 30 ASP N . 18342 1 341 . 1 1 37 37 PHE H H 1 8.749 0.03 . 1 . . . . 31 PHE HN . 18342 1 342 . 1 1 37 37 PHE HA H 1 4.634 0.03 . 1 . . . . 31 PHE HA . 18342 1 343 . 1 1 37 37 PHE HB2 H 1 2.417 0.03 . 2 . . . . 31 PHE HB2 . 18342 1 344 . 1 1 37 37 PHE HB3 H 1 3.601 0.03 . 2 . . . . 31 PHE HB3 . 18342 1 345 . 1 1 37 37 PHE C C 13 174.537 0.50 . 1 . . . . 31 PHE C . 18342 1 346 . 1 1 37 37 PHE CA C 13 57.093 0.50 . 1 . . . . 31 PHE CA . 18342 1 347 . 1 1 37 37 PHE CB C 13 42.944 0.50 . 1 . . . . 31 PHE CB . 18342 1 348 . 1 1 37 37 PHE N N 15 121.152 0.20 . 1 . . . . 31 PHE N . 18342 1 349 . 1 1 38 38 SER H H 1 9.050 0.03 . 1 . . . . 32 SER HN . 18342 1 350 . 1 1 38 38 SER HA H 1 5.050 0.03 . 1 . . . . 32 SER HA . 18342 1 351 . 1 1 38 38 SER HB2 H 1 3.950 0.03 . 2 . . . . 32 SER HB2 . 18342 1 352 . 1 1 38 38 SER HB3 H 1 3.820 0.03 . 2 . . . . 32 SER HB3 . 18342 1 353 . 1 1 38 38 SER C C 13 174.806 0.50 . 1 . . . . 32 SER C . 18342 1 354 . 1 1 38 38 SER CA C 13 55.686 0.50 . 1 . . . . 32 SER CA . 18342 1 355 . 1 1 38 38 SER CB C 13 63.973 0.50 . 1 . . . . 32 SER CB . 18342 1 356 . 1 1 38 38 SER N N 15 117.525 0.20 . 1 . . . . 32 SER N . 18342 1 357 . 1 1 39 39 PRO HA H 1 4.203 0.03 . 1 . . . . 33 PRO HA . 18342 1 358 . 1 1 39 39 PRO HB2 H 1 2.016 0.03 . 2 . . . . 33 PRO HB2 . 18342 1 359 . 1 1 39 39 PRO HB3 H 1 2.297 0.03 . 2 . . . . 33 PRO HB3 . 18342 1 360 . 1 1 39 39 PRO HG2 H 1 2.073 0.03 . 2 . . . . 33 PRO HG2 . 18342 1 361 . 1 1 39 39 PRO HG3 H 1 1.923 0.03 . 2 . . . . 33 PRO HG3 . 18342 1 362 . 1 1 39 39 PRO HD2 H 1 3.803 0.03 . 2 . . . . 33 PRO HD2 . 18342 1 363 . 1 1 39 39 PRO HD3 H 1 3.925 0.03 . 2 . . . . 33 PRO HD3 . 18342 1 364 . 1 1 39 39 PRO C C 13 175.628 0.50 . 1 . . . . 33 PRO C . 18342 1 365 . 1 1 39 39 PRO CA C 13 65.145 0.50 . 1 . . . . 33 PRO CA . 18342 1 366 . 1 1 39 39 PRO CB C 13 31.766 0.50 . 1 . . . . 33 PRO CB . 18342 1 367 . 1 1 39 39 PRO CG C 13 27.860 0.50 . 1 . . . . 33 PRO CG . 18342 1 368 . 1 1 39 39 PRO CD C 13 50.936 0.50 . 1 . . . . 33 PRO CD . 18342 1 369 . 1 1 40 40 SER H H 1 7.591 0.03 . 1 . . . . 34 SER HN . 18342 1 370 . 1 1 40 40 SER HA H 1 4.554 0.03 . 1 . . . . 34 SER HA . 18342 1 371 . 1 1 40 40 SER HB2 H 1 4.022 0.03 . 2 . . . . 34 SER HB2 . 18342 1 372 . 1 1 40 40 SER HB3 H 1 3.781 0.03 . 2 . . . . 34 SER HB3 . 18342 1 373 . 1 1 40 40 SER C C 13 175.091 0.50 . 1 . . . . 34 SER C . 18342 1 374 . 1 1 40 40 SER CA C 13 57.953 0.50 . 1 . . . . 34 SER CA . 18342 1 375 . 1 1 40 40 SER CB C 13 63.504 0.50 . 1 . . . . 34 SER CB . 18342 1 376 . 1 1 40 40 SER N N 15 107.077 0.20 . 1 . . . . 34 SER N . 18342 1 377 . 1 1 41 41 ASP H H 1 7.764 0.03 . 1 . . . . 35 ASP HN . 18342 1 378 . 1 1 41 41 ASP HA H 1 4.945 0.03 . 1 . . . . 35 ASP HA . 18342 1 379 . 1 1 41 41 ASP HB2 H 1 3.220 0.03 . 2 . . . . 35 ASP HB2 . 18342 1 380 . 1 1 41 41 ASP HB3 H 1 2.678 0.03 . 2 . . . . 35 ASP HB3 . 18342 1 381 . 1 1 41 41 ASP C C 13 175.592 0.50 . 1 . . . . 35 ASP C . 18342 1 382 . 1 1 41 41 ASP CA C 13 55.608 0.50 . 1 . . . . 35 ASP CA . 18342 1 383 . 1 1 41 41 ASP CB C 13 41.928 0.50 . 1 . . . . 35 ASP CB . 18342 1 384 . 1 1 41 41 ASP N N 15 122.456 0.20 . 1 . . . . 35 ASP N . 18342 1 385 . 1 1 42 42 THR H H 1 8.420 0.03 . 1 . . . . 36 THR HN . 18342 1 386 . 1 1 42 42 THR HA H 1 5.397 0.03 . 1 . . . . 36 THR HA . 18342 1 387 . 1 1 42 42 THR HB H 1 4.363 0.03 . 1 . . . . 36 THR HB . 18342 1 388 . 1 1 42 42 THR HG21 H 1 0.711 0.03 . 1 . . . . 36 THR HG21 . 18342 1 389 . 1 1 42 42 THR HG22 H 1 0.711 0.03 . 1 . . . . 36 THR HG21 . 18342 1 390 . 1 1 42 42 THR HG23 H 1 0.711 0.03 . 1 . . . . 36 THR HG21 . 18342 1 391 . 1 1 42 42 THR C C 13 176.914 0.50 . 1 . . . . 36 THR C . 18342 1 392 . 1 1 42 42 THR CA C 13 59.517 0.50 . 1 . . . . 36 THR CA . 18342 1 393 . 1 1 42 42 THR CB C 13 73.353 0.50 . 1 . . . . 36 THR CB . 18342 1 394 . 1 1 42 42 THR CG2 C 13 21.640 0.50 . 1 . . . . 36 THR CG2 . 18342 1 395 . 1 1 42 42 THR N N 15 108.251 0.20 . 1 . . . . 36 THR N . 18342 1 396 . 1 1 43 43 ILE H H 1 7.922 0.03 . 1 . . . . 37 ILE HN . 18342 1 397 . 1 1 43 43 ILE HA H 1 3.490 0.03 . 1 . . . . 37 ILE HA . 18342 1 398 . 1 1 43 43 ILE HB H 1 2.427 0.03 . 1 . . . . 37 ILE HB . 18342 1 399 . 1 1 43 43 ILE HG12 H 1 1.371 0.03 . 9 . . . . 37 ILE HG12 . 18342 1 400 . 1 1 43 43 ILE HG13 H 1 1.680 0.03 . 9 . . . . 37 ILE HG13 . 18342 1 401 . 1 1 43 43 ILE HG21 H 1 0.707 0.03 . 1 . . . . 37 ILE HG21 . 18342 1 402 . 1 1 43 43 ILE HG22 H 1 0.707 0.03 . 1 . . . . 37 ILE HG21 . 18342 1 403 . 1 1 43 43 ILE HG23 H 1 0.707 0.03 . 1 . . . . 37 ILE HG21 . 18342 1 404 . 1 1 43 43 ILE HD11 H 1 0.520 0.03 . 1 . . . . 37 ILE HD11 . 18342 1 405 . 1 1 43 43 ILE HD12 H 1 0.520 0.03 . 1 . . . . 37 ILE HD11 . 18342 1 406 . 1 1 43 43 ILE HD13 H 1 0.520 0.03 . 1 . . . . 37 ILE HD11 . 18342 1 407 . 1 1 43 43 ILE C C 13 178.487 0.50 . 1 . . . . 37 ILE C . 18342 1 408 . 1 1 43 43 ILE CA C 13 61.471 0.50 . 1 . . . . 37 ILE CA . 18342 1 409 . 1 1 43 43 ILE CB C 13 34.736 0.50 . 1 . . . . 37 ILE CB . 18342 1 410 . 1 1 43 43 ILE CG1 C 13 27.559 0.50 . 1 . . . . 37 ILE CG1 . 18342 1 411 . 1 1 43 43 ILE CG2 C 13 17.727 0.50 . 1 . . . . 37 ILE CG2 . 18342 1 412 . 1 1 43 43 ILE CD1 C 13 9.801 0.50 . 1 . . . . 37 ILE CD1 . 18342 1 413 . 1 1 43 43 ILE N N 15 121.004 0.20 . 1 . . . . 37 ILE N . 18342 1 414 . 1 1 44 44 LEU H H 1 8.166 0.03 . 1 . . . . 38 LEU HN . 18342 1 415 . 1 1 44 44 LEU HA H 1 3.832 0.03 . 1 . . . . 38 LEU HA . 18342 1 416 . 1 1 44 44 LEU HB2 H 1 1.685 0.03 . 2 . . . . 38 LEU HB2 . 18342 1 417 . 1 1 44 44 LEU HB3 H 1 1.414 0.03 . 2 . . . . 38 LEU HB3 . 18342 1 418 . 1 1 44 44 LEU HG H 1 1.465 0.03 . 1 . . . . 38 LEU HG . 18342 1 419 . 1 1 44 44 LEU HD11 H 1 0.904 0.03 . 1 . . . . 38 LEU HD11 . 18342 1 420 . 1 1 44 44 LEU HD12 H 1 0.904 0.03 . 1 . . . . 38 LEU HD11 . 18342 1 421 . 1 1 44 44 LEU HD13 H 1 0.904 0.03 . 1 . . . . 38 LEU HD11 . 18342 1 422 . 1 1 44 44 LEU HD21 H 1 0.829 0.03 . 1 . . . . 38 LEU HD21 . 18342 1 423 . 1 1 44 44 LEU HD22 H 1 0.829 0.03 . 1 . . . . 38 LEU HD21 . 18342 1 424 . 1 1 44 44 LEU HD23 H 1 0.829 0.03 . 1 . . . . 38 LEU HD21 . 18342 1 425 . 1 1 44 44 LEU C C 13 178.523 0.50 . 1 . . . . 38 LEU C . 18342 1 426 . 1 1 44 44 LEU CA C 13 58.762 0.50 . 1 . . . . 38 LEU CA . 18342 1 427 . 1 1 44 44 LEU CB C 13 42.084 0.50 . 1 . . . . 38 LEU CB . 18342 1 428 . 1 1 44 44 LEU CG C 13 26.957 0.50 . 1 . . . . 38 LEU CG . 18342 1 429 . 1 1 44 44 LEU CD1 C 13 23.747 0.50 . 2 . . . . 38 LEU CD1 . 18342 1 430 . 1 1 44 44 LEU CD2 C 13 25.252 0.50 . 2 . . . . 38 LEU CD2 . 18342 1 431 . 1 1 44 44 LEU N N 15 121.718 0.20 . 1 . . . . 38 LEU N . 18342 1 432 . 1 1 45 45 GLN H H 1 7.556 0.03 . 1 . . . . 39 GLN HN . 18342 1 433 . 1 1 45 45 GLN HA H 1 4.283 0.03 . 1 . . . . 39 GLN HA . 18342 1 434 . 1 1 45 45 GLN HB2 H 1 2.648 0.03 . 2 . . . . 39 GLN HB2 . 18342 1 435 . 1 1 45 45 GLN HB3 H 1 2.166 0.03 . 2 . . . . 39 GLN HB3 . 18342 1 436 . 1 1 45 45 GLN HG2 H 1 2.497 0.03 . 2 . . . . 39 GLN HG2 . 18342 1 437 . 1 1 45 45 GLN HG3 H 1 2.690 0.03 . 2 . . . . 39 GLN HG3 . 18342 1 438 . 1 1 45 45 GLN C C 13 179.988 0.50 . 1 . . . . 39 GLN C . 18342 1 439 . 1 1 45 45 GLN CA C 13 60.267 0.50 . 1 . . . . 39 GLN CA . 18342 1 440 . 1 1 45 45 GLN CB C 13 28.873 0.50 . 1 . . . . 39 GLN CB . 18342 1 441 . 1 1 45 45 GLN CG C 13 36.990 0.50 . 1 . . . . 39 GLN CG . 18342 1 442 . 1 1 45 45 GLN N N 15 116.758 0.20 . 1 . . . . 39 GLN N . 18342 1 443 . 1 1 46 46 ILE H H 1 7.665 0.03 . 1 . . . . 40 ILE HN . 18342 1 444 . 1 1 46 46 ILE HA H 1 3.635 0.03 . 1 . . . . 40 ILE HA . 18342 1 445 . 1 1 46 46 ILE HB H 1 1.895 0.03 . 1 . . . . 40 ILE HB . 18342 1 446 . 1 1 46 46 ILE HG12 H 1 -0.256 0.03 . 9 . . . . 40 ILE HG12 . 18342 1 447 . 1 1 46 46 ILE HG13 H 1 1.091 0.03 . 9 . . . . 40 ILE HG13 . 18342 1 448 . 1 1 46 46 ILE HG21 H 1 0.642 0.03 . 1 . . . . 40 ILE HG21 . 18342 1 449 . 1 1 46 46 ILE HG22 H 1 0.642 0.03 . 1 . . . . 40 ILE HG21 . 18342 1 450 . 1 1 46 46 ILE HG23 H 1 0.642 0.03 . 1 . . . . 40 ILE HG21 . 18342 1 451 . 1 1 46 46 ILE HD11 H 1 0.240 0.03 . 1 . . . . 40 ILE HD11 . 18342 1 452 . 1 1 46 46 ILE HD12 H 1 0.240 0.03 . 1 . . . . 40 ILE HD11 . 18342 1 453 . 1 1 46 46 ILE HD13 H 1 0.240 0.03 . 1 . . . . 40 ILE HD11 . 18342 1 454 . 1 1 46 46 ILE C C 13 178.237 0.50 . 1 . . . . 40 ILE C . 18342 1 455 . 1 1 46 46 ILE CA C 13 60.468 0.50 . 1 . . . . 40 ILE CA . 18342 1 456 . 1 1 46 46 ILE CB C 13 36.589 0.50 . 1 . . . . 40 ILE CB . 18342 1 457 . 1 1 46 46 ILE CG1 C 13 25.854 0.50 . 1 . . . . 40 ILE CG1 . 18342 1 458 . 1 1 46 46 ILE CG2 C 13 19.031 0.50 . 1 . . . . 40 ILE CG2 . 18342 1 459 . 1 1 46 46 ILE CD1 C 13 13.513 0.50 . 1 . . . . 40 ILE CD1 . 18342 1 460 . 1 1 46 46 ILE N N 15 121.514 0.20 . 1 . . . . 40 ILE N . 18342 1 461 . 1 1 47 47 LYS H H 1 7.626 0.03 . 1 . . . . 41 LYS HN . 18342 1 462 . 1 1 47 47 LYS HA H 1 3.791 0.03 . 1 . . . . 41 LYS HA . 18342 1 463 . 1 1 47 47 LYS HB2 H 1 1.695 0.03 . 2 . . . . 41 LYS HB2 . 18342 1 464 . 1 1 47 47 LYS HB3 H 1 2.236 0.03 . 2 . . . . 41 LYS HB3 . 18342 1 465 . 1 1 47 47 LYS HE2 H 1 3.036 0.03 . 2 . . . . 41 LYS HE2 . 18342 1 466 . 1 1 47 47 LYS HE3 H 1 3.109 0.03 . 2 . . . . 41 LYS HE3 . 18342 1 467 . 1 1 47 47 LYS C C 13 178.111 0.50 . 1 . . . . 41 LYS C . 18342 1 468 . 1 1 47 47 LYS CA C 13 61.571 0.50 . 1 . . . . 41 LYS CA . 18342 1 469 . 1 1 47 47 LYS CB C 13 32.787 0.50 . 1 . . . . 41 LYS CB . 18342 1 470 . 1 1 47 47 LYS CG C 13 28.160 0.50 . 1 . . . . 41 LYS CG . 18342 1 471 . 1 1 47 47 LYS CD C 13 30.470 0.50 . 1 . . . . 41 LYS CD . 18342 1 472 . 1 1 47 47 LYS CE C 13 42.910 0.50 . 1 . . . . 41 LYS CE . 18342 1 473 . 1 1 47 47 LYS N N 15 118.986 0.20 . 1 . . . . 41 LYS N . 18342 1 474 . 1 1 48 48 GLN H H 1 8.543 0.03 . 1 . . . . 42 GLN HN . 18342 1 475 . 1 1 48 48 GLN HA H 1 3.822 0.03 . 1 . . . . 42 GLN HA . 18342 1 476 . 1 1 48 48 GLN HB2 H 1 2.046 0.03 . 2 . . . . 42 GLN HB2 . 18342 1 477 . 1 1 48 48 GLN HB3 H 1 2.277 0.03 . 2 . . . . 42 GLN HB3 . 18342 1 478 . 1 1 48 48 GLN HG2 H 1 2.507 0.03 . 2 . . . . 42 GLN HG2 . 18342 1 479 . 1 1 48 48 GLN HG3 H 1 2.377 0.03 . 2 . . . . 42 GLN HG3 . 18342 1 480 . 1 1 48 48 GLN C C 13 178.826 0.50 . 1 . . . . 42 GLN C . 18342 1 481 . 1 1 48 48 GLN CA C 13 59.126 0.50 . 1 . . . . 42 GLN CA . 18342 1 482 . 1 1 48 48 GLN CB C 13 27.660 0.50 . 1 . . . . 42 GLN CB . 18342 1 483 . 1 1 48 48 GLN CG C 13 34.081 0.50 . 1 . . . . 42 GLN CG . 18342 1 484 . 1 1 48 48 GLN N N 15 116.442 0.20 . 1 . . . . 42 GLN N . 18342 1 485 . 1 1 49 49 HIS H H 1 8.077 0.03 . 1 . . . . 43 HIS HN . 18342 1 486 . 1 1 49 49 HIS HA H 1 4.283 0.03 . 1 . . . . 43 HIS HA . 18342 1 487 . 1 1 49 49 HIS HB2 H 1 3.490 0.03 . 2 . . . . 43 HIS HB2 . 18342 1 488 . 1 1 49 49 HIS HB3 H 1 3.300 0.03 . 2 . . . . 43 HIS HB3 . 18342 1 489 . 1 1 49 49 HIS C C 13 177.111 0.50 . 1 . . . . 43 HIS C . 18342 1 490 . 1 1 49 49 HIS CA C 13 60.377 0.50 . 1 . . . . 43 HIS CA . 18342 1 491 . 1 1 49 49 HIS CB C 13 30.046 0.50 . 1 . . . . 43 HIS CB . 18342 1 492 . 1 1 49 49 HIS N N 15 121.220 0.20 . 1 . . . . 43 HIS N . 18342 1 493 . 1 1 50 50 LEU H H 1 7.648 0.03 . 1 . . . . 44 LEU HN . 18342 1 494 . 1 1 50 50 LEU HA H 1 3.541 0.03 . 1 . . . . 44 LEU HA . 18342 1 495 . 1 1 50 50 LEU HB2 H 1 2.250 0.03 . 2 . . . . 44 LEU HB2 . 18342 1 496 . 1 1 50 50 LEU HB3 H 1 0.952 0.03 . 2 . . . . 44 LEU HB3 . 18342 1 497 . 1 1 50 50 LEU HG H 1 1.886 0.03 . 1 . . . . 44 LEU HG . 18342 1 498 . 1 1 50 50 LEU HD11 H 1 0.969 0.03 . 1 . . . . 44 LEU HD11 . 18342 1 499 . 1 1 50 50 LEU HD12 H 1 0.969 0.03 . 1 . . . . 44 LEU HD11 . 18342 1 500 . 1 1 50 50 LEU HD13 H 1 0.969 0.03 . 1 . . . . 44 LEU HD11 . 18342 1 501 . 1 1 50 50 LEU HD21 H 1 0.801 0.03 . 1 . . . . 44 LEU HD21 . 18342 1 502 . 1 1 50 50 LEU HD22 H 1 0.801 0.03 . 1 . . . . 44 LEU HD21 . 18342 1 503 . 1 1 50 50 LEU HD23 H 1 0.801 0.03 . 1 . . . . 44 LEU HD21 . 18342 1 504 . 1 1 50 50 LEU C C 13 178.326 0.50 . 1 . . . . 44 LEU C . 18342 1 505 . 1 1 50 50 LEU CA C 13 58.110 0.50 . 1 . . . . 44 LEU CA . 18342 1 506 . 1 1 50 50 LEU CB C 13 41.706 0.50 . 1 . . . . 44 LEU CB . 18342 1 507 . 1 1 50 50 LEU CG C 13 27.158 0.50 . 1 . . . . 44 LEU CG . 18342 1 508 . 1 1 50 50 LEU CD1 C 13 28.061 0.50 . 2 . . . . 44 LEU CD1 . 18342 1 509 . 1 1 50 50 LEU CD2 C 13 24.148 0.50 . 2 . . . . 44 LEU CD2 . 18342 1 510 . 1 1 50 50 LEU N N 15 117.417 0.20 . 1 . . . . 44 LEU N . 18342 1 511 . 1 1 51 51 ILE H H 1 7.540 0.03 . 1 . . . . 45 ILE HN . 18342 1 512 . 1 1 51 51 ILE HA H 1 3.922 0.03 . 1 . . . . 45 ILE HA . 18342 1 513 . 1 1 51 51 ILE HB H 1 1.976 0.03 . 1 . . . . 45 ILE HB . 18342 1 514 . 1 1 51 51 ILE HG12 H 1 1.353 0.03 . 9 . . . . 45 ILE HG12 . 18342 1 515 . 1 1 51 51 ILE HG13 H 1 0.894 0.03 . 9 . . . . 45 ILE HG13 . 18342 1 516 . 1 1 51 51 ILE HG21 H 1 0.810 0.03 . 1 . . . . 45 ILE HG21 . 18342 1 517 . 1 1 51 51 ILE HG22 H 1 0.810 0.03 . 1 . . . . 45 ILE HG21 . 18342 1 518 . 1 1 51 51 ILE HG23 H 1 0.810 0.03 . 1 . . . . 45 ILE HG21 . 18342 1 519 . 1 1 51 51 ILE HD11 H 1 0.420 0.03 . 1 . . . . 45 ILE HD11 . 18342 1 520 . 1 1 51 51 ILE HD12 H 1 0.420 0.03 . 1 . . . . 45 ILE HD11 . 18342 1 521 . 1 1 51 51 ILE HD13 H 1 0.420 0.03 . 1 . . . . 45 ILE HD11 . 18342 1 522 . 1 1 51 51 ILE C C 13 180.631 0.50 . 1 . . . . 45 ILE C . 18342 1 523 . 1 1 51 51 ILE CA C 13 63.678 0.50 . 1 . . . . 45 ILE CA . 18342 1 524 . 1 1 51 51 ILE CB C 13 36.589 0.50 . 1 . . . . 45 ILE CB . 18342 1 525 . 1 1 51 51 ILE CG1 C 13 27.860 0.50 . 1 . . . . 45 ILE CG1 . 18342 1 526 . 1 1 51 51 ILE CG2 C 13 16.623 0.50 . 1 . . . . 45 ILE CG2 . 18342 1 527 . 1 1 51 51 ILE CD1 C 13 12.510 0.50 . 1 . . . . 45 ILE CD1 . 18342 1 528 . 1 1 51 51 ILE N N 15 119.985 0.20 . 1 . . . . 45 ILE N . 18342 1 529 . 1 1 52 52 SER H H 1 8.294 0.03 . 1 . . . . 46 SER HN . 18342 1 530 . 1 1 52 52 SER HA H 1 4.163 0.03 . 1 . . . . 46 SER HA . 18342 1 531 . 1 1 52 52 SER HB2 H 1 3.962 0.03 . 2 . . . . 46 SER HB2 . 18342 1 532 . 1 1 52 52 SER HB3 H 1 3.801 0.03 . 2 . . . . 46 SER HB3 . 18342 1 533 . 1 1 52 52 SER C C 13 175.860 0.50 . 1 . . . . 46 SER C . 18342 1 534 . 1 1 52 52 SER CA C 13 59.063 0.50 . 1 . . . . 46 SER CA . 18342 1 535 . 1 1 52 52 SER CB C 13 62.173 0.50 . 1 . . . . 46 SER CB . 18342 1 536 . 1 1 52 52 SER N N 15 120.772 0.20 . 1 . . . . 46 SER N . 18342 1 537 . 1 1 53 53 GLU H H 1 7.303 0.03 . 1 . . . . 47 GLU HN . 18342 1 538 . 1 1 53 53 GLU HA H 1 4.143 0.03 . 1 . . . . 47 GLU HA . 18342 1 539 . 1 1 53 53 GLU HB2 H 1 1.283 0.03 . 2 . . . . 47 GLU HB2 . 18342 1 540 . 1 1 53 53 GLU HB3 H 1 2.186 0.03 . 2 . . . . 47 GLU HB3 . 18342 1 541 . 1 1 53 53 GLU C C 13 174.359 0.50 . 1 . . . . 47 GLU C . 18342 1 542 . 1 1 53 53 GLU CA C 13 55.843 0.50 . 1 . . . . 47 GLU CA . 18342 1 543 . 1 1 53 53 GLU CB C 13 29.265 0.50 . 1 . . . . 47 GLU CB . 18342 1 544 . 1 1 53 53 GLU CG C 13 35.686 0.50 . 1 . . . . 47 GLU CG . 18342 1 545 . 1 1 53 53 GLU N N 15 117.677 0.20 . 1 . . . . 47 GLU N . 18342 1 546 . 1 1 54 54 GLU H H 1 8.054 0.03 . 1 . . . . 48 GLU HN . 18342 1 547 . 1 1 54 54 GLU HA H 1 3.932 0.03 . 1 . . . . 48 GLU HA . 18342 1 548 . 1 1 54 54 GLU HB2 H 1 2.166 0.03 . 2 . . . . 48 GLU HB2 . 18342 1 549 . 1 1 54 54 GLU HB3 H 1 2.166 0.03 . 2 . . . . 48 GLU HB3 . 18342 1 550 . 1 1 54 54 GLU HG2 H 1 2.110 0.03 . 2 . . . . 48 GLU HG2 . 18342 1 551 . 1 1 54 54 GLU HG3 H 1 2.106 0.03 . 2 . . . . 48 GLU HG3 . 18342 1 552 . 1 1 54 54 GLU C C 13 176.271 0.50 . 1 . . . . 48 GLU C . 18342 1 553 . 1 1 54 54 GLU CA C 13 57.257 0.50 . 1 . . . . 48 GLU CA . 18342 1 554 . 1 1 54 54 GLU CB C 13 26.215 0.50 . 1 . . . . 48 GLU CB . 18342 1 555 . 1 1 54 54 GLU CG C 13 36.890 0.50 . 1 . . . . 48 GLU CG . 18342 1 556 . 1 1 54 54 GLU N N 15 113.741 0.20 . 1 . . . . 48 GLU N . 18342 1 557 . 1 1 55 55 LYS H H 1 8.039 0.03 . 1 . . . . 49 LYS HN . 18342 1 558 . 1 1 55 55 LYS HA H 1 4.223 0.03 . 1 . . . . 49 LYS HA . 18342 1 559 . 1 1 55 55 LYS HB2 H 1 1.705 0.03 . 2 . . . . 49 LYS HB2 . 18342 1 560 . 1 1 55 55 LYS HB3 H 1 1.323 0.03 . 2 . . . . 49 LYS HB3 . 18342 1 561 . 1 1 55 55 LYS HG2 H 1 0.941 0.03 . 2 . . . . 49 LYS HG2 . 18342 1 562 . 1 1 55 55 LYS HG3 H 1 0.389 0.03 . 2 . . . . 49 LYS HG3 . 18342 1 563 . 1 1 55 55 LYS HD2 H 1 0.960 0.03 . 2 . . . . 49 LYS HD2 . 18342 1 564 . 1 1 55 55 LYS HE2 H 1 2.372 0.03 . 2 . . . . 49 LYS HE2 . 18342 1 565 . 1 1 55 55 LYS HE3 H 1 1.979 0.03 . 2 . . . . 49 LYS HE3 . 18342 1 566 . 1 1 55 55 LYS C C 13 175.091 0.50 . 1 . . . . 49 LYS C . 18342 1 567 . 1 1 55 55 LYS CA C 13 54.147 0.50 . 1 . . . . 49 LYS CA . 18342 1 568 . 1 1 55 55 LYS CB C 13 31.272 0.50 . 1 . . . . 49 LYS CB . 18342 1 569 . 1 1 55 55 LYS CG C 13 23.541 0.50 . 1 . . . . 49 LYS CG . 18342 1 570 . 1 1 55 55 LYS CD C 13 26.656 0.50 . 1 . . . . 49 LYS CD . 18342 1 571 . 1 1 55 55 LYS CE C 13 42.007 0.50 . 1 . . . . 49 LYS CE . 18342 1 572 . 1 1 55 55 LYS N N 15 113.335 0.20 . 1 . . . . 49 LYS N . 18342 1 573 . 1 1 56 56 ALA H H 1 7.430 0.03 . 1 . . . . 50 ALA HN . 18342 1 574 . 1 1 56 56 ALA HA H 1 4.393 0.03 . 1 . . . . 50 ALA HA . 18342 1 575 . 1 1 56 56 ALA HB1 H 1 1.283 0.03 . 1 . . . . 50 ALA HB1 . 18342 1 576 . 1 1 56 56 ALA HB2 H 1 1.283 0.03 . 1 . . . . 50 ALA HB1 . 18342 1 577 . 1 1 56 56 ALA HB3 H 1 1.283 0.03 . 1 . . . . 50 ALA HB1 . 18342 1 578 . 1 1 56 56 ALA C C 13 175.252 0.50 . 1 . . . . 50 ALA C . 18342 1 579 . 1 1 56 56 ALA CA C 13 50.527 0.50 . 1 . . . . 50 ALA CA . 18342 1 580 . 1 1 56 56 ALA CB C 13 21.838 0.50 . 1 . . . . 50 ALA CB . 18342 1 581 . 1 1 56 56 ALA N N 15 116.536 0.20 . 1 . . . . 50 ALA N . 18342 1 582 . 1 1 57 57 SER H H 1 9.012 0.03 . 1 . . . . 51 SER HN . 18342 1 583 . 1 1 57 57 SER HA H 1 4.544 0.03 . 1 . . . . 51 SER HA . 18342 1 584 . 1 1 57 57 SER HB2 H 1 3.801 0.03 . 2 . . . . 51 SER HB2 . 18342 1 585 . 1 1 57 57 SER HB3 H 1 3.611 0.03 . 2 . . . . 51 SER HB3 . 18342 1 586 . 1 1 57 57 SER C C 13 173.662 0.50 . 1 . . . . 51 SER C . 18342 1 587 . 1 1 57 57 SER CA C 13 59.751 0.50 . 1 . . . . 51 SER CA . 18342 1 588 . 1 1 57 57 SER CB C 13 64.754 0.50 . 1 . . . . 51 SER CB . 18342 1 589 . 1 1 57 57 SER N N 15 113.600 0.20 . 1 . . . . 51 SER N . 18342 1 590 . 1 1 58 58 HIS H H 1 7.732 0.03 . 1 . . . . 52 HIS HN . 18342 1 591 . 1 1 58 58 HIS HA H 1 4.317 0.03 . 1 . . . . 52 HIS HA . 18342 1 592 . 1 1 58 58 HIS HB2 H 1 2.330 0.03 . 2 . . . . 52 HIS HB2 . 18342 1 593 . 1 1 58 58 HIS C C 13 175.735 0.50 . 1 . . . . 52 HIS C . 18342 1 594 . 1 1 58 58 HIS CA C 13 55.764 0.50 . 1 . . . . 52 HIS CA . 18342 1 595 . 1 1 58 58 HIS CB C 13 33.329 0.50 . 1 . . . . 52 HIS CB . 18342 1 596 . 1 1 58 58 HIS N N 15 118.657 0.20 . 1 . . . . 52 HIS N . 18342 1 597 . 1 1 59 59 ILE H H 1 8.665 0.03 . 1 . . . . 53 ILE HN . 18342 1 598 . 1 1 59 59 ILE HA H 1 3.661 0.03 . 1 . . . . 53 ILE HA . 18342 1 599 . 1 1 59 59 ILE HB H 1 1.867 0.03 . 1 . . . . 53 ILE HB . 18342 1 600 . 1 1 59 59 ILE HG12 H 1 1.175 0.03 . 9 . . . . 53 ILE HG12 . 18342 1 601 . 1 1 59 59 ILE HG13 H 1 1.484 0.03 . 9 . . . . 53 ILE HG13 . 18342 1 602 . 1 1 59 59 ILE HG21 H 1 0.857 0.03 . 1 . . . . 53 ILE HG21 . 18342 1 603 . 1 1 59 59 ILE HG22 H 1 0.857 0.03 . 1 . . . . 53 ILE HG21 . 18342 1 604 . 1 1 59 59 ILE HG23 H 1 0.857 0.03 . 1 . . . . 53 ILE HG21 . 18342 1 605 . 1 1 59 59 ILE HD11 H 1 0.801 0.03 . 1 . . . . 53 ILE HD11 . 18342 1 606 . 1 1 59 59 ILE HD12 H 1 0.801 0.03 . 1 . . . . 53 ILE HD11 . 18342 1 607 . 1 1 59 59 ILE HD13 H 1 0.801 0.03 . 1 . . . . 53 ILE HD11 . 18342 1 608 . 1 1 59 59 ILE C C 13 177.808 0.50 . 1 . . . . 53 ILE C . 18342 1 609 . 1 1 59 59 ILE CA C 13 65.083 0.50 . 1 . . . . 53 ILE CA . 18342 1 610 . 1 1 59 59 ILE CB C 13 37.788 0.50 . 1 . . . . 53 ILE CB . 18342 1 611 . 1 1 59 59 ILE CG1 C 13 27.554 0.50 . 1 . . . . 53 ILE CG1 . 18342 1 612 . 1 1 59 59 ILE CG2 C 13 18.028 0.50 . 1 . . . . 53 ILE CG2 . 18342 1 613 . 1 1 59 59 ILE CD1 C 13 13.513 0.50 . 1 . . . . 53 ILE CD1 . 18342 1 614 . 1 1 59 59 ILE N N 15 124.657 0.20 . 1 . . . . 53 ILE N . 18342 1 615 . 1 1 60 60 SER H H 1 9.019 0.03 . 1 . . . . 54 SER HN . 18342 1 616 . 1 1 60 60 SER HA H 1 4.213 0.03 . 1 . . . . 54 SER HA . 18342 1 617 . 1 1 60 60 SER HB2 H 1 4.012 0.03 . 2 . . . . 54 SER HB2 . 18342 1 618 . 1 1 60 60 SER HB3 H 1 4.012 0.03 . 2 . . . . 54 SER HB3 . 18342 1 619 . 1 1 60 60 SER C C 13 175.217 0.50 . 1 . . . . 54 SER C . 18342 1 620 . 1 1 60 60 SER CA C 13 60.568 0.50 . 1 . . . . 54 SER CA . 18342 1 621 . 1 1 60 60 SER CB C 13 62.775 0.50 . 1 . . . . 54 SER CB . 18342 1 622 . 1 1 60 60 SER N N 15 116.422 0.20 . 1 . . . . 54 SER N . 18342 1 623 . 1 1 61 61 GLU H H 1 7.602 0.03 . 1 . . . . 55 GLU HN . 18342 1 624 . 1 1 61 61 GLU HA H 1 4.303 0.03 . 1 . . . . 55 GLU HA . 18342 1 625 . 1 1 61 61 GLU HB2 H 1 2.106 0.03 . 2 . . . . 55 GLU HB2 . 18342 1 626 . 1 1 61 61 GLU HB3 H 1 2.307 0.03 . 2 . . . . 55 GLU HB3 . 18342 1 627 . 1 1 61 61 GLU HG2 H 1 2.447 0.03 . 2 . . . . 55 GLU HG2 . 18342 1 628 . 1 1 61 61 GLU HG3 H 1 2.250 0.03 . 2 . . . . 55 GLU HG3 . 18342 1 629 . 1 1 61 61 GLU C C 13 175.538 0.50 . 1 . . . . 55 GLU C . 18342 1 630 . 1 1 61 61 GLU CA C 13 56.781 0.50 . 1 . . . . 55 GLU CA . 18342 1 631 . 1 1 61 61 GLU CB C 13 31.218 0.50 . 1 . . . . 55 GLU CB . 18342 1 632 . 1 1 61 61 GLU CG C 13 37.091 0.50 . 1 . . . . 55 GLU CG . 18342 1 633 . 1 1 61 61 GLU N N 15 119.264 0.20 . 1 . . . . 55 GLU N . 18342 1 634 . 1 1 62 62 ILE H H 1 7.369 0.03 . 1 . . . . 56 ILE HN . 18342 1 635 . 1 1 62 62 ILE HA H 1 4.434 0.03 . 1 . . . . 56 ILE HA . 18342 1 636 . 1 1 62 62 ILE HB H 1 1.685 0.03 . 1 . . . . 56 ILE HB . 18342 1 637 . 1 1 62 62 ILE HG12 H 1 0.576 0.03 . 9 . . . . 56 ILE HG12 . 18342 1 638 . 1 1 62 62 ILE HG13 H 1 1.700 0.03 . 1 . . . . 56 ILE HG13 . 18342 1 639 . 1 1 62 62 ILE HG21 H 1 0.763 0.03 . 1 . . . . 56 ILE HG21 . 18342 1 640 . 1 1 62 62 ILE HG22 H 1 0.763 0.03 . 1 . . . . 56 ILE HG21 . 18342 1 641 . 1 1 62 62 ILE HG23 H 1 0.763 0.03 . 1 . . . . 56 ILE HG21 . 18342 1 642 . 1 1 62 62 ILE HD11 H 1 0.791 0.03 . 1 . . . . 56 ILE HD11 . 18342 1 643 . 1 1 62 62 ILE HD12 H 1 0.791 0.03 . 1 . . . . 56 ILE HD11 . 18342 1 644 . 1 1 62 62 ILE HD13 H 1 0.791 0.03 . 1 . . . . 56 ILE HD11 . 18342 1 645 . 1 1 62 62 ILE C C 13 174.466 0.50 . 1 . . . . 56 ILE C . 18342 1 646 . 1 1 62 62 ILE CA C 13 61.393 0.50 . 1 . . . . 56 ILE CA . 18342 1 647 . 1 1 62 62 ILE CB C 13 40.834 0.50 . 1 . . . . 56 ILE CB . 18342 1 648 . 1 1 62 62 ILE CG1 C 13 26.952 0.50 . 1 . . . . 56 ILE CG1 . 18342 1 649 . 1 1 62 62 ILE CG2 C 13 19.734 0.50 . 1 . . . . 56 ILE CG2 . 18342 1 650 . 1 1 62 62 ILE CD1 C 13 16.122 0.50 . 1 . . . . 56 ILE CD1 . 18342 1 651 . 1 1 62 62 ILE N N 15 117.263 0.20 . 1 . . . . 56 ILE N . 18342 1 652 . 1 1 63 63 LYS H H 1 9.037 0.03 . 1 . . . . 57 LYS HN . 18342 1 653 . 1 1 63 63 LYS HA H 1 4.554 0.03 . 1 . . . . 57 LYS HA . 18342 1 654 . 1 1 63 63 LYS HB2 H 1 1.624 0.03 . 2 . . . . 57 LYS HB2 . 18342 1 655 . 1 1 63 63 LYS HB3 H 1 1.633 0.03 . 2 . . . . 57 LYS HB3 . 18342 1 656 . 1 1 63 63 LYS HG2 H 1 1.259 0.03 . 2 . . . . 57 LYS HG2 . 18342 1 657 . 1 1 63 63 LYS HG3 H 1 1.465 0.03 . 2 . . . . 57 LYS HG3 . 18342 1 658 . 1 1 63 63 LYS HD2 H 1 1.630 0.03 . 2 . . . . 57 LYS HD2 . 18342 1 659 . 1 1 63 63 LYS HD3 H 1 1.630 0.03 . 2 . . . . 57 LYS HD3 . 18342 1 660 . 1 1 63 63 LYS HE2 H 1 2.886 0.03 . 2 . . . . 57 LYS HE2 . 18342 1 661 . 1 1 63 63 LYS HE3 H 1 2.888 0.03 . 2 . . . . 57 LYS HE3 . 18342 1 662 . 1 1 63 63 LYS C C 13 174.037 0.50 . 1 . . . . 57 LYS C . 18342 1 663 . 1 1 63 63 LYS CA C 13 54.670 0.50 . 1 . . . . 57 LYS CA . 18342 1 664 . 1 1 63 63 LYS CB C 13 35.485 0.50 . 1 . . . . 57 LYS CB . 18342 1 665 . 1 1 63 63 LYS CG C 13 24.650 0.50 . 1 . . . . 57 LYS CG . 18342 1 666 . 1 1 63 63 LYS CD C 13 29.165 0.50 . 1 . . . . 57 LYS CD . 18342 1 667 . 1 1 63 63 LYS CE C 13 42.007 0.50 . 1 . . . . 57 LYS CE . 18342 1 668 . 1 1 63 63 LYS N N 15 128.116 0.20 . 1 . . . . 57 LYS N . 18342 1 669 . 1 1 64 64 LEU H H 1 8.502 0.03 . 1 . . . . 58 LEU HN . 18342 1 670 . 1 1 64 64 LEU HA H 1 5.397 0.03 . 1 . . . . 58 LEU HA . 18342 1 671 . 1 1 64 64 LEU HB2 H 1 1.624 0.03 . 2 . . . . 58 LEU HB2 . 18342 1 672 . 1 1 64 64 LEU HB3 H 1 1.138 0.03 . 2 . . . . 58 LEU HB3 . 18342 1 673 . 1 1 64 64 LEU HG H 1 1.427 0.03 . 1 . . . . 58 LEU HG . 18342 1 674 . 1 1 64 64 LEU HD11 H 1 0.773 0.03 . 1 . . . . 58 LEU HD11 . 18342 1 675 . 1 1 64 64 LEU HD12 H 1 0.773 0.03 . 1 . . . . 58 LEU HD11 . 18342 1 676 . 1 1 64 64 LEU HD13 H 1 0.773 0.03 . 1 . . . . 58 LEU HD11 . 18342 1 677 . 1 1 64 64 LEU HD21 H 1 0.772 0.03 . 1 . . . . 58 LEU HD21 . 18342 1 678 . 1 1 64 64 LEU HD22 H 1 0.772 0.03 . 1 . . . . 58 LEU HD21 . 18342 1 679 . 1 1 64 64 LEU HD23 H 1 0.772 0.03 . 1 . . . . 58 LEU HD21 . 18342 1 680 . 1 1 64 64 LEU C C 13 175.056 0.50 . 1 . . . . 58 LEU C . 18342 1 681 . 1 1 64 64 LEU CA C 13 52.441 0.50 . 1 . . . . 58 LEU CA . 18342 1 682 . 1 1 64 64 LEU CB C 13 43.908 0.50 . 1 . . . . 58 LEU CB . 18342 1 683 . 1 1 64 64 LEU CG C 13 26.752 0.50 . 1 . . . . 58 LEU CG . 18342 1 684 . 1 1 64 64 LEU CD1 C 13 25.146 0.50 . 2 . . . . 58 LEU CD1 . 18342 1 685 . 1 1 64 64 LEU CD2 C 13 27.956 0.50 . 2 . . . . 58 LEU CD2 . 18342 1 686 . 1 1 64 64 LEU N N 15 122.851 0.20 . 1 . . . . 58 LEU N . 18342 1 687 . 1 1 65 65 LEU H H 1 8.976 0.03 . 1 . . . . 59 LEU HN . 18342 1 688 . 1 1 65 65 LEU HA H 1 5.346 0.03 . 1 . . . . 59 LEU HA . 18342 1 689 . 1 1 65 65 LEU HB2 H 1 1.474 0.03 . 2 . . . . 59 LEU HB2 . 18342 1 690 . 1 1 65 65 LEU HB3 H 1 1.233 0.03 . 2 . . . . 59 LEU HB3 . 18342 1 691 . 1 1 65 65 LEU HG H 1 1.381 0.03 . 1 . . . . 59 LEU HG . 18342 1 692 . 1 1 65 65 LEU HD11 H 1 0.726 0.03 . 1 . . . . 59 LEU HD11 . 18342 1 693 . 1 1 65 65 LEU HD12 H 1 0.726 0.03 . 1 . . . . 59 LEU HD11 . 18342 1 694 . 1 1 65 65 LEU HD13 H 1 0.726 0.03 . 1 . . . . 59 LEU HD11 . 18342 1 695 . 1 1 65 65 LEU HD21 H 1 0.640 0.03 . 2 . . . . 59 LEU HD21 . 18342 1 696 . 1 1 65 65 LEU HD22 H 1 0.640 0.03 . 2 . . . . 59 LEU HD21 . 18342 1 697 . 1 1 65 65 LEU HD23 H 1 0.640 0.03 . 2 . . . . 59 LEU HD21 . 18342 1 698 . 1 1 65 65 LEU C C 13 175.359 0.50 . 1 . . . . 59 LEU C . 18342 1 699 . 1 1 65 65 LEU CA C 13 54.201 0.50 . 1 . . . . 59 LEU CA . 18342 1 700 . 1 1 65 65 LEU CB C 13 46.618 0.50 . 1 . . . . 59 LEU CB . 18342 1 701 . 1 1 65 65 LEU CG C 13 28.563 0.50 . 1 . . . . 59 LEU CG . 18342 1 702 . 1 1 65 65 LEU CD1 C 13 25.700 0.50 . 1 . . . . 59 LEU CD1 . 18342 1 703 . 1 1 65 65 LEU CD2 C 13 26.255 0.50 . 2 . . . . 59 LEU CD2 . 18342 1 704 . 1 1 65 65 LEU N N 15 120.869 0.20 . 1 . . . . 59 LEU N . 18342 1 705 . 1 1 66 66 LEU H H 1 8.532 0.03 . 1 . . . . 60 LEU HN . 18342 1 706 . 1 1 66 66 LEU HA H 1 4.865 0.03 . 1 . . . . 60 LEU HA . 18342 1 707 . 1 1 66 66 LEU HB2 H 1 1.875 0.03 . 2 . . . . 60 LEU HB2 . 18342 1 708 . 1 1 66 66 LEU HB3 H 1 1.263 0.03 . 2 . . . . 60 LEU HB3 . 18342 1 709 . 1 1 66 66 LEU HG H 1 1.474 0.03 . 1 . . . . 60 LEU HG . 18342 1 710 . 1 1 66 66 LEU HD11 H 1 0.913 0.03 . 1 . . . . 60 LEU HD11 . 18342 1 711 . 1 1 66 66 LEU HD12 H 1 0.913 0.03 . 1 . . . . 60 LEU HD11 . 18342 1 712 . 1 1 66 66 LEU HD13 H 1 0.913 0.03 . 1 . . . . 60 LEU HD11 . 18342 1 713 . 1 1 66 66 LEU HD21 H 1 0.913 0.03 . 1 . . . . 60 LEU HD21 . 18342 1 714 . 1 1 66 66 LEU HD22 H 1 0.913 0.03 . 1 . . . . 60 LEU HD21 . 18342 1 715 . 1 1 66 66 LEU HD23 H 1 0.913 0.03 . 1 . . . . 60 LEU HD21 . 18342 1 716 . 1 1 66 66 LEU C C 13 176.253 0.50 . 1 . . . . 60 LEU C . 18342 1 717 . 1 1 66 66 LEU CA C 13 53.746 0.50 . 1 . . . . 60 LEU CA . 18342 1 718 . 1 1 66 66 LEU CB C 13 45.680 0.50 . 1 . . . . 60 LEU CB . 18342 1 719 . 1 1 66 66 LEU CG C 13 27.961 0.50 . 1 . . . . 60 LEU CG . 18342 1 720 . 1 1 66 66 LEU CD1 C 13 26.456 0.50 . 2 . . . . 60 LEU CD1 . 18342 1 721 . 1 1 66 66 LEU CD2 C 13 23.345 0.50 . 2 . . . . 60 LEU CD2 . 18342 1 722 . 1 1 66 66 LEU N N 15 121.301 0.20 . 1 . . . . 60 LEU N . 18342 1 723 . 1 1 67 67 LYS H H 1 9.475 0.03 . 1 . . . . 61 LYS HN . 18342 1 724 . 1 1 67 67 LYS HA H 1 3.872 0.03 . 1 . . . . 61 LYS HA . 18342 1 725 . 1 1 67 67 LYS HB2 H 1 2.026 0.03 . 2 . . . . 61 LYS HB2 . 18342 1 726 . 1 1 67 67 LYS HB3 H 1 1.845 0.03 . 2 . . . . 61 LYS HB3 . 18342 1 727 . 1 1 67 67 LYS HG2 H 1 1.474 0.03 . 2 . . . . 61 LYS HG2 . 18342 1 728 . 1 1 67 67 LYS HG3 H 1 1.484 0.03 . 2 . . . . 61 LYS HG3 . 18342 1 729 . 1 1 67 67 LYS HD2 H 1 1.736 0.03 . 2 . . . . 61 LYS HD2 . 18342 1 730 . 1 1 67 67 LYS HD3 H 1 1.727 0.03 . 2 . . . . 61 LYS HD3 . 18342 1 731 . 1 1 67 67 LYS HE2 H 1 3.027 0.03 . 2 . . . . 61 LYS HE2 . 18342 1 732 . 1 1 67 67 LYS HE3 H 1 3.029 0.03 . 2 . . . . 61 LYS HE3 . 18342 1 733 . 1 1 67 67 LYS C C 13 176.485 0.50 . 1 . . . . 61 LYS C . 18342 1 734 . 1 1 67 67 LYS CA C 13 57.484 0.50 . 1 . . . . 61 LYS CA . 18342 1 735 . 1 1 67 67 LYS CB C 13 30.280 0.50 . 1 . . . . 61 LYS CB . 18342 1 736 . 1 1 67 67 LYS CG C 13 25.252 0.50 . 1 . . . . 61 LYS CG . 18342 1 737 . 1 1 67 67 LYS CD C 13 29.566 0.50 . 1 . . . . 61 LYS CD . 18342 1 738 . 1 1 67 67 LYS CE C 13 42.002 0.50 . 1 . . . . 61 LYS CE . 18342 1 739 . 1 1 67 67 LYS N N 15 128.331 0.20 . 1 . . . . 61 LYS N . 18342 1 740 . 1 1 68 68 GLY H H 1 8.391 0.03 . 1 . . . . 62 GLY HN . 18342 1 741 . 1 1 68 68 GLY HA2 H 1 4.123 0.03 . 2 . . . . 62 GLY HA2 . 18342 1 742 . 1 1 68 68 GLY HA3 H 1 3.531 0.03 . 2 . . . . 62 GLY HA3 . 18342 1 743 . 1 1 68 68 GLY C C 13 173.287 0.50 . 1 . . . . 62 GLY C . 18342 1 744 . 1 1 68 68 GLY CA C 13 45.446 0.50 . 1 . . . . 62 GLY CA . 18342 1 745 . 1 1 68 68 GLY N N 15 103.963 0.20 . 1 . . . . 62 GLY N . 18342 1 746 . 1 1 69 69 LYS H H 1 7.670 0.03 . 1 . . . . 63 LYS HN . 18342 1 747 . 1 1 69 69 LYS HA H 1 4.544 0.03 . 1 . . . . 63 LYS HA . 18342 1 748 . 1 1 69 69 LYS HB2 H 1 1.835 0.03 . 2 . . . . 63 LYS HB2 . 18342 1 749 . 1 1 69 69 LYS HB3 H 1 1.805 0.03 . 2 . . . . 63 LYS HB3 . 18342 1 750 . 1 1 69 69 LYS HG2 H 1 1.343 0.03 . 2 . . . . 63 LYS HG2 . 18342 1 751 . 1 1 69 69 LYS HG3 H 1 1.455 0.03 . 2 . . . . 63 LYS HG3 . 18342 1 752 . 1 1 69 69 LYS HD2 H 1 1.680 0.03 . 2 . . . . 63 LYS HD2 . 18342 1 753 . 1 1 69 69 LYS HD3 H 1 1.685 0.03 . 2 . . . . 63 LYS HD3 . 18342 1 754 . 1 1 69 69 LYS HE2 H 1 2.999 0.03 . 2 . . . . 63 LYS HE2 . 18342 1 755 . 1 1 69 69 LYS HE3 H 1 2.999 0.03 . 2 . . . . 63 LYS HE3 . 18342 1 756 . 1 1 69 69 LYS C C 13 175.449 0.50 . 1 . . . . 63 LYS C . 18342 1 757 . 1 1 69 69 LYS CA C 13 54.670 0.50 . 1 . . . . 63 LYS CA . 18342 1 758 . 1 1 69 69 LYS CB C 13 33.798 0.50 . 1 . . . . 63 LYS CB . 18342 1 759 . 1 1 69 69 LYS CG C 13 24.650 0.50 . 1 . . . . 63 LYS CG . 18342 1 760 . 1 1 69 69 LYS CD C 13 29.064 0.50 . 1 . . . . 63 LYS CD . 18342 1 761 . 1 1 69 69 LYS CE C 13 42.408 0.50 . 1 . . . . 63 LYS CE . 18342 1 762 . 1 1 69 69 LYS N N 15 121.858 0.20 . 1 . . . . 63 LYS N . 18342 1 763 . 1 1 70 70 VAL H H 1 8.406 0.03 . 1 . . . . 64 VAL HN . 18342 1 764 . 1 1 70 70 VAL HA H 1 4.012 0.03 . 1 . . . . 64 VAL HA . 18342 1 765 . 1 1 70 70 VAL HB H 1 1.895 0.03 . 1 . . . . 64 VAL HB . 18342 1 766 . 1 1 70 70 VAL HG11 H 1 0.962 0.03 . 1 . . . . 64 VAL HG11 . 18342 1 767 . 1 1 70 70 VAL HG12 H 1 0.962 0.03 . 1 . . . . 64 VAL HG11 . 18342 1 768 . 1 1 70 70 VAL HG13 H 1 0.962 0.03 . 1 . . . . 64 VAL HG11 . 18342 1 769 . 1 1 70 70 VAL HG21 H 1 0.792 0.03 . 1 . . . . 64 VAL HG21 . 18342 1 770 . 1 1 70 70 VAL HG22 H 1 0.792 0.03 . 1 . . . . 64 VAL HG21 . 18342 1 771 . 1 1 70 70 VAL HG23 H 1 0.792 0.03 . 1 . . . . 64 VAL HG21 . 18342 1 772 . 1 1 70 70 VAL C C 13 175.985 0.50 . 1 . . . . 64 VAL C . 18342 1 773 . 1 1 70 70 VAL CA C 13 63.504 0.50 . 1 . . . . 64 VAL CA . 18342 1 774 . 1 1 70 70 VAL CB C 13 31.687 0.50 . 1 . . . . 64 VAL CB . 18342 1 775 . 1 1 70 70 VAL CG1 C 13 22.442 0.50 . 2 . . . . 64 VAL CG1 . 18342 1 776 . 1 1 70 70 VAL CG2 C 13 21.239 0.50 . 2 . . . . 64 VAL CG2 . 18342 1 777 . 1 1 70 70 VAL N N 15 125.036 0.20 . 1 . . . . 64 VAL N . 18342 1 778 . 1 1 71 71 LEU H H 1 8.520 0.03 . 1 . . . . 65 LEU HN . 18342 1 779 . 1 1 71 71 LEU HA H 1 4.383 0.03 . 1 . . . . 65 LEU HA . 18342 1 780 . 1 1 71 71 LEU HB2 H 1 1.654 0.03 . 2 . . . . 65 LEU HB2 . 18342 1 781 . 1 1 71 71 LEU HB3 H 1 1.103 0.03 . 2 . . . . 65 LEU HB3 . 18342 1 782 . 1 1 71 71 LEU HG H 1 1.755 0.03 . 1 . . . . 65 LEU HG . 18342 1 783 . 1 1 71 71 LEU HD11 H 1 0.721 0.03 . 1 . . . . 65 LEU HD11 . 18342 1 784 . 1 1 71 71 LEU HD12 H 1 0.721 0.03 . 1 . . . . 65 LEU HD11 . 18342 1 785 . 1 1 71 71 LEU HD13 H 1 0.721 0.03 . 1 . . . . 65 LEU HD11 . 18342 1 786 . 1 1 71 71 LEU HD21 H 1 0.721 0.03 . 1 . . . . 65 LEU HD21 . 18342 1 787 . 1 1 71 71 LEU HD22 H 1 0.721 0.03 . 1 . . . . 65 LEU HD21 . 18342 1 788 . 1 1 71 71 LEU HD23 H 1 0.721 0.03 . 1 . . . . 65 LEU HD21 . 18342 1 789 . 1 1 71 71 LEU C C 13 175.181 0.50 . 1 . . . . 65 LEU C . 18342 1 790 . 1 1 71 71 LEU CA C 13 53.419 0.50 . 1 . . . . 65 LEU CA . 18342 1 791 . 1 1 71 71 LEU CB C 13 42.866 0.50 . 1 . . . . 65 LEU CB . 18342 1 792 . 1 1 71 71 LEU CG C 13 26.054 0.50 . 1 . . . . 65 LEU CG . 18342 1 793 . 1 1 71 71 LEU CD1 C 13 22.342 0.50 . 2 . . . . 65 LEU CD1 . 18342 1 794 . 1 1 71 71 LEU CD2 C 13 26.054 0.50 . 2 . . . . 65 LEU CD2 . 18342 1 795 . 1 1 71 71 LEU N N 15 128.240 0.20 . 1 . . . . 65 LEU N . 18342 1 796 . 1 1 72 72 HIS H H 1 7.649 0.03 . 1 . . . . 66 HIS HN . 18342 1 797 . 1 1 72 72 HIS HA H 1 4.594 0.03 . 1 . . . . 66 HIS HA . 18342 1 798 . 1 1 72 72 HIS HB2 H 1 3.210 0.03 . 2 . . . . 66 HIS HB2 . 18342 1 799 . 1 1 72 72 HIS HB3 H 1 3.049 0.03 . 2 . . . . 66 HIS HB3 . 18342 1 800 . 1 1 72 72 HIS C C 13 175.574 0.50 . 1 . . . . 66 HIS C . 18342 1 801 . 1 1 72 72 HIS CA C 13 55.999 0.50 . 1 . . . . 66 HIS CA . 18342 1 802 . 1 1 72 72 HIS CB C 13 31.297 0.50 . 1 . . . . 66 HIS CB . 18342 1 803 . 1 1 72 72 HIS N N 15 122.788 0.20 . 1 . . . . 66 HIS N . 18342 1 804 . 1 1 73 73 ASP H H 1 7.932 0.03 . 1 . . . . 67 ASP HN . 18342 1 805 . 1 1 73 73 ASP HA H 1 4.092 0.03 . 1 . . . . 67 ASP HA . 18342 1 806 . 1 1 73 73 ASP HB2 H 1 2.475 0.03 . 2 . . . . 67 ASP HB2 . 18342 1 807 . 1 1 73 73 ASP HB3 H 1 2.400 0.03 . 2 . . . . 67 ASP HB3 . 18342 1 808 . 1 1 73 73 ASP C C 13 176.056 0.50 . 1 . . . . 67 ASP C . 18342 1 809 . 1 1 73 73 ASP CA C 13 57.797 0.50 . 1 . . . . 67 ASP CA . 18342 1 810 . 1 1 73 73 ASP CB C 13 41.772 0.50 . 1 . . . . 67 ASP CB . 18342 1 811 . 1 1 73 73 ASP N N 15 119.028 0.20 . 1 . . . . 67 ASP N . 18342 1 812 . 1 1 74 74 ASN H H 1 8.345 0.03 . 1 . . . . 68 ASN HN . 18342 1 813 . 1 1 74 74 ASN HA H 1 4.544 0.03 . 1 . . . . 68 ASN HA . 18342 1 814 . 1 1 74 74 ASN HB2 H 1 2.830 0.03 . 2 . . . . 68 ASN HB2 . 18342 1 815 . 1 1 74 74 ASN HB3 H 1 2.802 0.03 . 2 . . . . 68 ASN HB3 . 18342 1 816 . 1 1 74 74 ASN C C 13 175.038 0.50 . 1 . . . . 68 ASN C . 18342 1 817 . 1 1 74 74 ASN CA C 13 52.559 0.50 . 1 . . . . 68 ASN CA . 18342 1 818 . 1 1 74 74 ASN CB C 13 37.941 0.50 . 1 . . . . 68 ASN CB . 18342 1 819 . 1 1 74 74 ASN N N 15 112.353 0.20 . 1 . . . . 68 ASN N . 18342 1 820 . 1 1 75 75 LEU H H 1 7.217 0.03 . 1 . . . . 69 LEU HN . 18342 1 821 . 1 1 75 75 LEU HA H 1 4.143 0.03 . 1 . . . . 69 LEU HA . 18342 1 822 . 1 1 75 75 LEU HB2 H 1 1.614 0.03 . 2 . . . . 69 LEU HB2 . 18342 1 823 . 1 1 75 75 LEU HB3 H 1 1.454 0.03 . 2 . . . . 69 LEU HB3 . 18342 1 824 . 1 1 75 75 LEU HG H 1 1.605 0.03 . 1 . . . . 69 LEU HG . 18342 1 825 . 1 1 75 75 LEU HD11 H 1 1.016 0.03 . 1 . . . . 69 LEU HD11 . 18342 1 826 . 1 1 75 75 LEU HD12 H 1 1.016 0.03 . 1 . . . . 69 LEU HD11 . 18342 1 827 . 1 1 75 75 LEU HD13 H 1 1.016 0.03 . 1 . . . . 69 LEU HD11 . 18342 1 828 . 1 1 75 75 LEU HD21 H 1 0.857 0.03 . 1 . . . . 69 LEU HD21 . 18342 1 829 . 1 1 75 75 LEU HD22 H 1 0.857 0.03 . 1 . . . . 69 LEU HD21 . 18342 1 830 . 1 1 75 75 LEU HD23 H 1 0.857 0.03 . 1 . . . . 69 LEU HD21 . 18342 1 831 . 1 1 75 75 LEU C C 13 176.414 0.50 . 1 . . . . 69 LEU C . 18342 1 832 . 1 1 75 75 LEU CA C 13 55.530 0.50 . 1 . . . . 69 LEU CA . 18342 1 833 . 1 1 75 75 LEU CB C 13 42.553 0.50 . 1 . . . . 69 LEU CB . 18342 1 834 . 1 1 75 75 LEU CG C 13 26.757 0.50 . 1 . . . . 69 LEU CG . 18342 1 835 . 1 1 75 75 LEU CD1 C 13 26.155 0.50 . 2 . . . . 69 LEU CD1 . 18342 1 836 . 1 1 75 75 LEU CD2 C 13 24.850 0.50 . 2 . . . . 69 LEU CD2 . 18342 1 837 . 1 1 75 75 LEU N N 15 121.782 0.20 . 1 . . . . 69 LEU N . 18342 1 838 . 1 1 76 76 PHE H H 1 8.612 0.03 . 1 . . . . 70 PHE HN . 18342 1 839 . 1 1 76 76 PHE HA H 1 4.835 0.03 . 1 . . . . 70 PHE HA . 18342 1 840 . 1 1 76 76 PHE HB2 H 1 3.300 0.03 . 2 . . . . 70 PHE HB2 . 18342 1 841 . 1 1 76 76 PHE HB3 H 1 2.878 0.03 . 2 . . . . 70 PHE HB3 . 18342 1 842 . 1 1 76 76 PHE C C 13 178.665 0.50 . 1 . . . . 70 PHE C . 18342 1 843 . 1 1 76 76 PHE CA C 13 57.719 0.50 . 1 . . . . 70 PHE CA . 18342 1 844 . 1 1 76 76 PHE CB C 13 40.052 0.50 . 1 . . . . 70 PHE CB . 18342 1 845 . 1 1 76 76 PHE N N 15 121.661 0.20 . 1 . . . . 70 PHE N . 18342 1 846 . 1 1 77 77 LEU H H 1 9.028 0.03 . 1 . . . . 71 LEU HN . 18342 1 847 . 1 1 77 77 LEU HA H 1 3.942 0.03 . 1 . . . . 71 LEU HA . 18342 1 848 . 1 1 77 77 LEU HB2 H 1 1.986 0.03 . 2 . . . . 71 LEU HB2 . 18342 1 849 . 1 1 77 77 LEU HB3 H 1 1.384 0.03 . 2 . . . . 71 LEU HB3 . 18342 1 850 . 1 1 77 77 LEU HG H 1 1.544 0.03 . 1 . . . . 71 LEU HG . 18342 1 851 . 1 1 77 77 LEU HD11 H 1 0.691 0.03 . 1 . . . . 71 LEU HD11 . 18342 1 852 . 1 1 77 77 LEU HD12 H 1 0.691 0.03 . 1 . . . . 71 LEU HD11 . 18342 1 853 . 1 1 77 77 LEU HD13 H 1 0.691 0.03 . 1 . . . . 71 LEU HD11 . 18342 1 854 . 1 1 77 77 LEU HD21 H 1 0.541 0.03 . 1 . . . . 71 LEU HD21 . 18342 1 855 . 1 1 77 77 LEU HD22 H 1 0.541 0.03 . 1 . . . . 71 LEU HD21 . 18342 1 856 . 1 1 77 77 LEU HD23 H 1 0.541 0.03 . 1 . . . . 71 LEU HD21 . 18342 1 857 . 1 1 77 77 LEU C C 13 180.595 0.50 . 1 . . . . 71 LEU C . 18342 1 858 . 1 1 77 77 LEU CA C 13 58.031 0.50 . 1 . . . . 71 LEU CA . 18342 1 859 . 1 1 77 77 LEU CB C 13 40.100 0.50 . 1 . . . . 71 LEU CB . 18342 1 860 . 1 1 77 77 LEU CG C 13 27.660 0.50 . 1 . . . . 71 LEU CG . 18342 1 861 . 1 1 77 77 LEU CD1 C 13 25.653 0.50 . 2 . . . . 71 LEU CD1 . 18342 1 862 . 1 1 77 77 LEU CD2 C 13 23.345 0.50 . 2 . . . . 71 LEU CD2 . 18342 1 863 . 1 1 77 77 LEU N N 15 122.447 0.20 . 1 . . . . 71 LEU N . 18342 1 864 . 1 1 78 78 SER H H 1 8.714 0.03 . 1 . . . . 72 SER HN . 18342 1 865 . 1 1 78 78 SER HA H 1 4.153 0.03 . 1 . . . . 72 SER HA . 18342 1 866 . 1 1 78 78 SER HB2 H 1 3.992 0.03 . 2 . . . . 72 SER HB2 . 18342 1 867 . 1 1 78 78 SER HB3 H 1 3.801 0.03 . 2 . . . . 72 SER HB3 . 18342 1 868 . 1 1 78 78 SER C C 13 176.003 0.50 . 1 . . . . 72 SER C . 18342 1 869 . 1 1 78 78 SER CA C 13 60.689 0.50 . 1 . . . . 72 SER CA . 18342 1 870 . 1 1 78 78 SER CB C 13 62.331 0.50 . 1 . . . . 72 SER CB . 18342 1 871 . 1 1 78 78 SER N N 15 113.531 0.20 . 1 . . . . 72 SER N . 18342 1 872 . 1 1 79 79 ASP H H 1 7.770 0.03 . 1 . . . . 73 ASP HN . 18342 1 873 . 1 1 79 79 ASP HA H 1 4.745 0.03 . 1 . . . . 73 ASP HA . 18342 1 874 . 1 1 79 79 ASP HB2 H 1 3.059 0.03 . 2 . . . . 73 ASP HB2 . 18342 1 875 . 1 1 79 79 ASP HB3 H 1 2.858 0.03 . 2 . . . . 73 ASP HB3 . 18342 1 876 . 1 1 79 79 ASP C C 13 177.111 0.50 . 1 . . . . 73 ASP C . 18342 1 877 . 1 1 79 79 ASP CA C 13 55.921 0.50 . 1 . . . . 73 ASP CA . 18342 1 878 . 1 1 79 79 ASP CB C 13 41.381 0.50 . 1 . . . . 73 ASP CB . 18342 1 879 . 1 1 79 79 ASP N N 15 121.120 0.20 . 1 . . . . 73 ASP N . 18342 1 880 . 1 1 80 80 LEU H H 1 7.549 0.03 . 1 . . . . 74 LEU HN . 18342 1 881 . 1 1 80 80 LEU HA H 1 4.133 0.03 . 1 . . . . 74 LEU HA . 18342 1 882 . 1 1 80 80 LEU HB2 H 1 1.815 0.03 . 2 . . . . 74 LEU HB2 . 18342 1 883 . 1 1 80 80 LEU HB3 H 1 1.514 0.03 . 2 . . . . 74 LEU HB3 . 18342 1 884 . 1 1 80 80 LEU HG H 1 1.800 0.03 . 1 . . . . 74 LEU HG . 18342 1 885 . 1 1 80 80 LEU HD11 H 1 0.791 0.03 . 1 . . . . 74 LEU HD11 . 18342 1 886 . 1 1 80 80 LEU HD12 H 1 0.791 0.03 . 1 . . . . 74 LEU HD11 . 18342 1 887 . 1 1 80 80 LEU HD13 H 1 0.791 0.03 . 1 . . . . 74 LEU HD11 . 18342 1 888 . 1 1 80 80 LEU HD21 H 1 0.770 0.03 . 2 . . . . 74 LEU HD21 . 18342 1 889 . 1 1 80 80 LEU HD22 H 1 0.770 0.03 . 2 . . . . 74 LEU HD21 . 18342 1 890 . 1 1 80 80 LEU HD23 H 1 0.770 0.03 . 2 . . . . 74 LEU HD21 . 18342 1 891 . 1 1 80 80 LEU C C 13 176.307 0.50 . 1 . . . . 74 LEU C . 18342 1 892 . 1 1 80 80 LEU CA C 13 55.764 0.50 . 1 . . . . 74 LEU CA . 18342 1 893 . 1 1 80 80 LEU CB C 13 42.866 0.50 . 1 . . . . 74 LEU CB . 18342 1 894 . 1 1 80 80 LEU CG C 13 26.857 0.50 . 1 . . . . 74 LEU CG . 18342 1 895 . 1 1 80 80 LEU CD1 C 13 25.352 0.50 . 2 . . . . 74 LEU CD1 . 18342 1 896 . 1 1 80 80 LEU CD2 C 13 23.646 0.50 . 2 . . . . 74 LEU CD2 . 18342 1 897 . 1 1 80 80 LEU N N 15 118.939 0.20 . 1 . . . . 74 LEU N . 18342 1 898 . 1 1 81 81 LYS H H 1 7.800 0.03 . 1 . . . . 75 LYS HN . 18342 1 899 . 1 1 81 81 LYS HA H 1 4.072 0.03 . 1 . . . . 75 LYS HA . 18342 1 900 . 1 1 81 81 LYS HB2 H 1 1.945 0.03 . 2 . . . . 75 LYS HB2 . 18342 1 901 . 1 1 81 81 LYS HB3 H 1 1.805 0.03 . 2 . . . . 75 LYS HB3 . 18342 1 902 . 1 1 81 81 LYS HG2 H 1 1.404 0.03 . 2 . . . . 75 LYS HG2 . 18342 1 903 . 1 1 81 81 LYS HG3 H 1 1.404 0.03 . 2 . . . . 75 LYS HG3 . 18342 1 904 . 1 1 81 81 LYS HD2 H 1 1.671 0.03 . 2 . . . . 75 LYS HD2 . 18342 1 905 . 1 1 81 81 LYS HD3 H 1 1.708 0.03 . 2 . . . . 75 LYS HD3 . 18342 1 906 . 1 1 81 81 LYS HE2 H 1 3.017 0.03 . 2 . . . . 75 LYS HE2 . 18342 1 907 . 1 1 81 81 LYS HE3 H 1 3.019 0.03 . 2 . . . . 75 LYS HE3 . 18342 1 908 . 1 1 81 81 LYS C C 13 176.199 0.50 . 1 . . . . 75 LYS C . 18342 1 909 . 1 1 81 81 LYS CA C 13 56.155 0.50 . 1 . . . . 75 LYS CA . 18342 1 910 . 1 1 81 81 LYS CB C 13 29.264 0.50 . 1 . . . . 75 LYS CB . 18342 1 911 . 1 1 81 81 LYS CG C 13 24.650 0.50 . 1 . . . . 75 LYS CG . 18342 1 912 . 1 1 81 81 LYS CD C 13 29.064 0.50 . 1 . . . . 75 LYS CD . 18342 1 913 . 1 1 81 81 LYS CE C 13 42.609 0.50 . 1 . . . . 75 LYS CE . 18342 1 914 . 1 1 81 81 LYS N N 15 117.149 0.20 . 1 . . . . 75 LYS N . 18342 1 915 . 1 1 82 82 VAL H H 1 8.131 0.03 . 1 . . . . 76 VAL HN . 18342 1 916 . 1 1 82 82 VAL HA H 1 4.243 0.03 . 1 . . . . 76 VAL HA . 18342 1 917 . 1 1 82 82 VAL HB H 1 2.116 0.03 . 1 . . . . 76 VAL HB . 18342 1 918 . 1 1 82 82 VAL HG11 H 1 0.862 0.03 . 1 . . . . 76 VAL HG11 . 18342 1 919 . 1 1 82 82 VAL HG12 H 1 0.862 0.03 . 1 . . . . 76 VAL HG11 . 18342 1 920 . 1 1 82 82 VAL HG13 H 1 0.862 0.03 . 1 . . . . 76 VAL HG11 . 18342 1 921 . 1 1 82 82 VAL HG21 H 1 0.862 0.03 . 1 . . . . 76 VAL HG21 . 18342 1 922 . 1 1 82 82 VAL HG22 H 1 0.862 0.03 . 1 . . . . 76 VAL HG21 . 18342 1 923 . 1 1 82 82 VAL HG23 H 1 0.862 0.03 . 1 . . . . 76 VAL HG21 . 18342 1 924 . 1 1 82 82 VAL C C 13 176.575 0.50 . 1 . . . . 76 VAL C . 18342 1 925 . 1 1 82 82 VAL CA C 13 63.034 0.50 . 1 . . . . 76 VAL CA . 18342 1 926 . 1 1 82 82 VAL CB C 13 32.469 0.50 . 1 . . . . 76 VAL CB . 18342 1 927 . 1 1 82 82 VAL CG1 C 13 21.941 0.50 . 2 . . . . 76 VAL CG1 . 18342 1 928 . 1 1 82 82 VAL CG2 C 13 20.436 0.50 . 2 . . . . 76 VAL CG2 . 18342 1 929 . 1 1 82 82 VAL N N 15 117.409 0.20 . 1 . . . . 76 VAL N . 18342 1 930 . 1 1 83 83 THR H H 1 7.665 0.03 . 1 . . . . 77 THR HN . 18342 1 931 . 1 1 83 83 THR HA H 1 4.870 0.03 . 1 . . . . 77 THR HA . 18342 1 932 . 1 1 83 83 THR HB H 1 4.542 0.03 . 1 . . . . 77 THR HB . 18342 1 933 . 1 1 83 83 THR HG21 H 1 1.250 0.03 . 1 . . . . 77 THR HG21 . 18342 1 934 . 1 1 83 83 THR HG22 H 1 1.250 0.03 . 1 . . . . 77 THR HG21 . 18342 1 935 . 1 1 83 83 THR HG23 H 1 1.250 0.03 . 1 . . . . 77 THR HG21 . 18342 1 936 . 1 1 83 83 THR C C 13 173.876 0.50 . 1 . . . . 77 THR C . 18342 1 937 . 1 1 83 83 THR CA C 13 59.126 0.50 . 1 . . . . 77 THR CA . 18342 1 938 . 1 1 83 83 THR CB C 13 69.835 0.50 . 1 . . . . 77 THR CB . 18342 1 939 . 1 1 83 83 THR CG2 C 13 21.900 0.50 . 1 . . . . 77 THR CG2 . 18342 1 940 . 1 1 83 83 THR N N 15 116.160 0.20 . 1 . . . . 77 THR N . 18342 1 941 . 1 1 84 84 PRO HA H 1 4.343 0.03 . 1 . . . . 78 PRO HA . 18342 1 942 . 1 1 84 84 PRO HB2 H 1 2.407 0.03 . 2 . . . . 78 PRO HB2 . 18342 1 943 . 1 1 84 84 PRO HB3 H 1 1.915 0.03 . 2 . . . . 78 PRO HB3 . 18342 1 944 . 1 1 84 84 PRO HG2 H 1 2.176 0.03 . 2 . . . . 78 PRO HG2 . 18342 1 945 . 1 1 84 84 PRO HG3 H 1 1.998 0.03 . 2 . . . . 78 PRO HG3 . 18342 1 946 . 1 1 84 84 PRO HD2 H 1 3.887 0.03 . 2 . . . . 78 PRO HD2 . 18342 1 947 . 1 1 84 84 PRO HD3 H 1 3.812 0.03 . 2 . . . . 78 PRO HD3 . 18342 1 948 . 1 1 84 84 PRO C C 13 178.272 0.50 . 1 . . . . 78 PRO C . 18342 1 949 . 1 1 84 84 PRO CA C 13 66.396 0.50 . 1 . . . . 78 PRO CA . 18342 1 950 . 1 1 84 84 PRO CB C 13 31.609 0.50 . 1 . . . . 78 PRO CB . 18342 1 951 . 1 1 84 84 PRO CG C 13 27.961 0.50 . 1 . . . . 78 PRO CG . 18342 1 952 . 1 1 84 84 PRO CD C 13 50.435 0.50 . 1 . . . . 78 PRO CD . 18342 1 953 . 1 1 85 85 ALA H H 1 7.787 0.03 . 1 . . . . 79 ALA HN . 18342 1 954 . 1 1 85 85 ALA HA H 1 4.336 0.03 . 1 . . . . 79 ALA HA . 18342 1 955 . 1 1 85 85 ALA HB1 H 1 1.364 0.03 . 1 . . . . 79 ALA HB1 . 18342 1 956 . 1 1 85 85 ALA HB2 H 1 1.364 0.03 . 1 . . . . 79 ALA HB1 . 18342 1 957 . 1 1 85 85 ALA HB3 H 1 1.364 0.03 . 1 . . . . 79 ALA HB1 . 18342 1 958 . 1 1 85 85 ALA C C 13 177.039 0.50 . 1 . . . . 79 ALA C . 18342 1 959 . 1 1 85 85 ALA CA C 13 53.107 0.50 . 1 . . . . 79 ALA CA . 18342 1 960 . 1 1 85 85 ALA CB C 13 19.102 0.50 . 1 . . . . 79 ALA CB . 18342 1 961 . 1 1 85 85 ALA N N 15 116.840 0.20 . 1 . . . . 79 ALA N . 18342 1 962 . 1 1 86 86 ASN H H 1 8.044 0.03 . 1 . . . . 80 ASN HN . 18342 1 963 . 1 1 86 86 ASN HA H 1 5.076 0.03 . 1 . . . . 80 ASN HA . 18342 1 964 . 1 1 86 86 ASN HB2 H 1 2.939 0.03 . 2 . . . . 80 ASN HB2 . 18342 1 965 . 1 1 86 86 ASN HB3 H 1 2.567 0.03 . 2 . . . . 80 ASN HB3 . 18342 1 966 . 1 1 86 86 ASN C C 13 173.572 0.50 . 1 . . . . 80 ASN C . 18342 1 967 . 1 1 86 86 ASN CA C 13 52.090 0.50 . 1 . . . . 80 ASN CA . 18342 1 968 . 1 1 86 86 ASN CB C 13 38.957 0.50 . 1 . . . . 80 ASN CB . 18342 1 969 . 1 1 86 86 ASN N N 15 119.429 0.20 . 1 . . . . 80 ASN N . 18342 1 970 . 1 1 87 87 SER H H 1 8.075 0.03 . 1 . . . . 81 SER HN . 18342 1 971 . 1 1 87 87 SER HA H 1 4.564 0.03 . 1 . . . . 81 SER HA . 18342 1 972 . 1 1 87 87 SER HB2 H 1 4.434 0.03 . 2 . . . . 81 SER HB2 . 18342 1 973 . 1 1 87 87 SER HB3 H 1 4.062 0.03 . 2 . . . . 81 SER HB3 . 18342 1 974 . 1 1 87 87 SER C C 13 172.983 0.50 . 1 . . . . 81 SER C . 18342 1 975 . 1 1 87 87 SER CA C 13 57.719 0.50 . 1 . . . . 81 SER CA . 18342 1 976 . 1 1 87 87 SER CB C 13 63.504 0.50 . 1 . . . . 81 SER CB . 18342 1 977 . 1 1 87 87 SER N N 15 112.131 0.20 . 1 . . . . 81 SER N . 18342 1 978 . 1 1 88 88 THR H H 1 8.010 0.03 . 1 . . . . 82 THR HN . 18342 1 979 . 1 1 88 88 THR HA H 1 5.156 0.03 . 1 . . . . 82 THR HA . 18342 1 980 . 1 1 88 88 THR HB H 1 4.022 0.03 . 1 . . . . 82 THR HB . 18342 1 981 . 1 1 88 88 THR HG21 H 1 1.042 0.03 . 1 . . . . 82 THR HG21 . 18342 1 982 . 1 1 88 88 THR HG22 H 1 1.042 0.03 . 1 . . . . 82 THR HG21 . 18342 1 983 . 1 1 88 88 THR HG23 H 1 1.042 0.03 . 1 . . . . 82 THR HG21 . 18342 1 984 . 1 1 88 88 THR C C 13 173.983 0.50 . 1 . . . . 82 THR C . 18342 1 985 . 1 1 88 88 THR CA C 13 62.096 0.50 . 1 . . . . 82 THR CA . 18342 1 986 . 1 1 88 88 THR CB C 13 69.445 0.50 . 1 . . . . 82 THR CB . 18342 1 987 . 1 1 88 88 THR CG2 C 13 21.339 0.50 . 1 . . . . 82 THR CG2 . 18342 1 988 . 1 1 88 88 THR N N 15 117.534 0.20 . 1 . . . . 82 THR N . 18342 1 989 . 1 1 89 89 ILE H H 1 9.496 0.03 . 1 . . . . 83 ILE HN . 18342 1 990 . 1 1 89 89 ILE HA H 1 4.467 0.03 . 1 . . . . 83 ILE HA . 18342 1 991 . 1 1 89 89 ILE HB H 1 1.955 0.03 . 1 . . . . 83 ILE HB . 18342 1 992 . 1 1 89 89 ILE HG12 H 1 1.287 0.03 . 9 . . . . 83 ILE HG12 . 18342 1 993 . 1 1 89 89 ILE HG13 H 1 1.283 0.03 . 9 . . . . 83 ILE HG13 . 18342 1 994 . 1 1 89 89 ILE HG21 H 1 0.838 0.03 . 1 . . . . 83 ILE HG21 . 18342 1 995 . 1 1 89 89 ILE HG22 H 1 0.838 0.03 . 1 . . . . 83 ILE HG21 . 18342 1 996 . 1 1 89 89 ILE HG23 H 1 0.838 0.03 . 1 . . . . 83 ILE HG21 . 18342 1 997 . 1 1 89 89 ILE HD11 H 1 0.604 0.03 . 1 . . . . 83 ILE HD11 . 18342 1 998 . 1 1 89 89 ILE HD12 H 1 0.604 0.03 . 1 . . . . 83 ILE HD11 . 18342 1 999 . 1 1 89 89 ILE HD13 H 1 0.604 0.03 . 1 . . . . 83 ILE HD11 . 18342 1 1000 . 1 1 89 89 ILE C C 13 175.091 0.50 . 1 . . . . 83 ILE C . 18342 1 1001 . 1 1 89 89 ILE CA C 13 58.662 0.50 . 1 . . . . 83 ILE CA . 18342 1 1002 . 1 1 89 89 ILE CB C 13 39.427 0.50 . 1 . . . . 83 ILE CB . 18342 1 1003 . 1 1 89 89 ILE CG1 C 13 28.462 0.50 . 1 . . . . 83 ILE CG1 . 18342 1 1004 . 1 1 89 89 ILE CG2 C 13 19.031 0.50 . 1 . . . . 83 ILE CG2 . 18342 1 1005 . 1 1 89 89 ILE CD1 C 13 11.807 0.50 . 1 . . . . 83 ILE CD1 . 18342 1 1006 . 1 1 89 89 ILE N N 15 130.846 0.20 . 1 . . . . 83 ILE N . 18342 1 1007 . 1 1 90 90 THR H H 1 9.142 0.03 . 1 . . . . 84 THR HN . 18342 1 1008 . 1 1 90 90 THR HA H 1 4.813 0.03 . 1 . . . . 84 THR HA . 18342 1 1009 . 1 1 90 90 THR HB H 1 4.093 0.03 . 1 . . . . 84 THR HB . 18342 1 1010 . 1 1 90 90 THR HG21 H 1 1.203 0.03 . 1 . . . . 84 THR HG21 . 18342 1 1011 . 1 1 90 90 THR HG22 H 1 1.203 0.03 . 1 . . . . 84 THR HG21 . 18342 1 1012 . 1 1 90 90 THR HG23 H 1 1.203 0.03 . 1 . . . . 84 THR HG21 . 18342 1 1013 . 1 1 90 90 THR C C 13 173.054 0.50 . 1 . . . . 84 THR C . 18342 1 1014 . 1 1 90 90 THR CA C 13 62.670 0.50 . 1 . . . . 84 THR CA . 18342 1 1015 . 1 1 90 90 THR CB C 13 69.593 0.50 . 1 . . . . 84 THR CB . 18342 1 1016 . 1 1 90 90 THR CG2 C 13 21.535 0.50 . 1 . . . . 84 THR CG2 . 18342 1 1017 . 1 1 90 90 THR N N 15 124.881 0.20 . 1 . . . . 84 THR N . 18342 1 1018 . 1 1 91 91 VAL H H 1 8.731 0.03 . 1 . . . . 85 VAL HN . 18342 1 1019 . 1 1 91 91 VAL HA H 1 4.454 0.03 . 1 . . . . 85 VAL HA . 18342 1 1020 . 1 1 91 91 VAL HB H 1 1.584 0.03 . 1 . . . . 85 VAL HB . 18342 1 1021 . 1 1 91 91 VAL HG11 H 1 0.862 0.03 . 1 . . . . 85 VAL HG11 . 18342 1 1022 . 1 1 91 91 VAL HG12 H 1 0.862 0.03 . 1 . . . . 85 VAL HG11 . 18342 1 1023 . 1 1 91 91 VAL HG13 H 1 0.862 0.03 . 1 . . . . 85 VAL HG11 . 18342 1 1024 . 1 1 91 91 VAL HG21 H 1 0.866 0.03 . 1 . . . . 85 VAL HG21 . 18342 1 1025 . 1 1 91 91 VAL HG22 H 1 0.866 0.03 . 1 . . . . 85 VAL HG21 . 18342 1 1026 . 1 1 91 91 VAL HG23 H 1 0.866 0.03 . 1 . . . . 85 VAL HG21 . 18342 1 1027 . 1 1 91 91 VAL C C 13 174.913 0.50 . 1 . . . . 85 VAL C . 18342 1 1028 . 1 1 91 91 VAL CA C 13 60.964 0.50 . 1 . . . . 85 VAL CA . 18342 1 1029 . 1 1 91 91 VAL CB C 13 33.485 0.50 . 1 . . . . 85 VAL CB . 18342 1 1030 . 1 1 91 91 VAL CG1 C 13 21.740 0.50 . 2 . . . . 85 VAL CG1 . 18342 1 1031 . 1 1 91 91 VAL CG2 C 13 21.540 0.50 . 2 . . . . 85 VAL CG2 . 18342 1 1032 . 1 1 91 91 VAL N N 15 126.906 0.20 . 1 . . . . 85 VAL N . 18342 1 1033 . 1 1 92 92 MET H H 1 9.117 0.03 . 1 . . . . 86 MET HN . 18342 1 1034 . 1 1 92 92 MET HA H 1 4.785 0.03 . 1 . . . . 86 MET HA . 18342 1 1035 . 1 1 92 92 MET HB2 H 1 2.026 0.03 . 2 . . . . 86 MET HB2 . 18342 1 1036 . 1 1 92 92 MET HB3 H 1 1.795 0.03 . 2 . . . . 86 MET HB3 . 18342 1 1037 . 1 1 92 92 MET HG2 H 1 2.363 0.03 . 2 . . . . 86 MET HG2 . 18342 1 1038 . 1 1 92 92 MET HG3 H 1 2.367 0.03 . 2 . . . . 86 MET HG3 . 18342 1 1039 . 1 1 92 92 MET C C 13 174.555 0.50 . 1 . . . . 86 MET C . 18342 1 1040 . 1 1 92 92 MET CA C 13 54.201 0.50 . 1 . . . . 86 MET CA . 18342 1 1041 . 1 1 92 92 MET CB C 13 34.893 0.50 . 1 . . . . 86 MET CB . 18342 1 1042 . 1 1 92 92 MET CG C 13 32.074 0.50 . 1 . . . . 86 MET CG . 18342 1 1043 . 1 1 92 92 MET N N 15 126.657 0.20 . 1 . . . . 86 MET N . 18342 1 1044 . 1 1 93 93 ILE H H 1 8.623 0.03 . 1 . . . . 87 ILE HN . 18342 1 1045 . 1 1 93 93 ILE HA H 1 5.009 0.03 . 1 . . . . 87 ILE HA . 18342 1 1046 . 1 1 93 93 ILE HB H 1 1.717 0.03 . 1 . . . . 87 ILE HB . 18342 1 1047 . 1 1 93 93 ILE HG12 H 1 1.530 0.03 . 9 . . . . 87 ILE HG12 . 18342 1 1048 . 1 1 93 93 ILE HG13 H 1 1.072 0.03 . 9 . . . . 87 ILE HG13 . 18342 1 1049 . 1 1 93 93 ILE HG21 H 1 0.902 0.03 . 1 . . . . 87 ILE HG21 . 18342 1 1050 . 1 1 93 93 ILE HG22 H 1 0.902 0.03 . 1 . . . . 87 ILE HG21 . 18342 1 1051 . 1 1 93 93 ILE HG23 H 1 0.902 0.03 . 1 . . . . 87 ILE HG21 . 18342 1 1052 . 1 1 93 93 ILE HD11 H 1 0.904 0.03 . 1 . . . . 87 ILE HD11 . 18342 1 1053 . 1 1 93 93 ILE HD12 H 1 0.904 0.03 . 1 . . . . 87 ILE HD11 . 18342 1 1054 . 1 1 93 93 ILE HD13 H 1 0.904 0.03 . 1 . . . . 87 ILE HD11 . 18342 1 1055 . 1 1 93 93 ILE C C 13 175.342 0.50 . 1 . . . . 87 ILE C . 18342 1 1056 . 1 1 93 93 ILE CA C 13 58.757 0.50 . 1 . . . . 87 ILE CA . 18342 1 1057 . 1 1 93 93 ILE CB C 13 39.694 0.50 . 1 . . . . 87 ILE CB . 18342 1 1058 . 1 1 93 93 ILE CG1 C 13 27.956 0.50 . 1 . . . . 87 ILE CG1 . 18342 1 1059 . 1 1 93 93 ILE CG2 C 13 17.321 0.50 . 1 . . . . 87 ILE CG2 . 18342 1 1060 . 1 1 93 93 ILE CD1 C 13 12.806 0.50 . 1 . . . . 87 ILE CD1 . 18342 1 1061 . 1 1 93 93 ILE N N 15 123.862 0.20 . 1 . . . . 87 ILE N . 18342 1 1062 . 1 1 94 94 LYS H H 1 8.949 0.03 . 1 . . . . 88 LYS HN . 18342 1 1063 . 1 1 94 94 LYS C C 13 173.197 0.50 . 1 . . . . 88 LYS C . 18342 1 1064 . 1 1 94 94 LYS CA C 13 53.810 0.50 . 1 . . . . 88 LYS CA . 18342 1 1065 . 1 1 94 94 LYS CB C 13 33.720 0.50 . 1 . . . . 88 LYS CB . 18342 1 1066 . 1 1 94 94 LYS N N 15 130.472 0.20 . 1 . . . . 88 LYS N . 18342 1 stop_ save_