data_19365 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19365 _Entry.Title ; Solution structure of Lipid Transfer Protein from Lentil Lens Culinaris ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-07-16 _Entry.Accession_date 2013-07-16 _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 Albina Gizatullina . K . 19365 2 Konstantin Mineev . S. . 19365 3 Zakhar Shenkarev . O. . 19365 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19365 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Lens Culinaris' . 19365 NMR . 19365 'plant lipid transfer protein' . 19365 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19365 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 271 19365 '15N chemical shifts' 97 19365 '1H chemical shifts' 615 19365 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 . . 2013-10-03 2013-07-15 update BMRB 'update entry citation' 19365 1 . . 2013-09-30 2013-07-15 original author 'original release' 19365 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1AFH . 19365 PDB 1BV2 . 19365 PDB 1BWO . 19365 PDB 1CZ2 . 19365 PDB 1GH1 . 19365 PDB 1LIP . 19365 PDB 1RZL . 19365 PDB 1SIY . 19365 PDB 1T12 . 19365 PDB 1UVA . 19365 PDB 1UVB . 19365 PDB 1UVC . 19365 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 19365 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23998937 _Citation.Full_citation . _Citation.Title 'Recombinant production and solution structure of lipid transfer protein from lentil Lens culinaris.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full 'Biochemical and biophysical research communications' _Citation.Journal_volume 439 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 427 _Citation.Page_last 432 _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 Albina Gizatullina . K. . 19365 1 2 Ekaterina Finkina . I. . 19365 1 3 Konstantin Mineev . S. . 19365 1 4 Daria Melnikova . N. . 19365 1 5 Ivan Bogdanov . V. . 19365 1 6 Irina Telezhinskaya . N. . 19365 1 7 Sergey Balandin . V. . 19365 1 8 Zakhar Shenkarev . O. . 19365 1 9 Alexander Arseniev . S. . 19365 1 10 Tatiana Ovchinnikova . V. . 19365 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19365 _Assembly.ID 1 _Assembly.Name 'Lipid Transfer Protein from Lentil Lens Culinaris' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Lipid Transfer Protein' 1 $Lc-LTP2 A . yes native no no . . . 19365 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Lc-LTP2 _Entity.Sf_category entity _Entity.Sf_framecode Lc-LTP2 _Entity.Entry_ID 19365 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Lipid Transfer Protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AISCGAVTSDLSPCLTYLTG GPGPSPQCCGGVKKLLAAAN TTPDRQAACNCLKSAAGSIT KLNTNNAAALPGKCGVNIPY KISTTTNCNTVKF ; _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 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9299.741 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MAL . "Solution Structure Of Lipid Transfer Protein From Lentil Lens Culinaris" . . . . . 100.00 93 100.00 100.00 1.59e-56 . . . . 19365 1 2 no GB AAX35807 . "lipid transfer protein 2 precursor [Lens culinaris]" . . . . . 100.00 118 100.00 100.00 7.68e-57 . . . . 19365 1 3 no GB AAX35810 . "lipid transfer protein 6 precursor [Lens culinaris subsp. culinaris]" . . . . . 100.00 118 97.85 100.00 5.51e-56 . . . . 19365 1 4 no GB AAX35811 . "lipid transfer protein 4 precursor, partial [Lens culinaris subsp. culinaris]" . . . . . 100.00 110 98.92 100.00 2.92e-56 . . . . 19365 1 5 no SP A0AT29 . "RecName: Full=Non-specific lipid-transfer protein 2; Short=LTP2; Contains: RecName: Full=Non-specific lipid-transfer protein 7;" . . . . . 100.00 118 100.00 100.00 7.68e-57 . . . . 19365 1 6 no SP A0AT32 . "RecName: Full=Non-specific lipid-transfer protein 6; Short=LTP6; Flags: Precursor" . . . . . 100.00 118 97.85 100.00 5.51e-56 . . . . 19365 1 7 no SP A0AT33 . "RecName: Full=Non-specific lipid-transfer protein 4; Short=LTP4; Contains: RecName: Full=Non-specific lipid-transfer protein 8;" . . . . . 100.00 110 98.92 100.00 2.92e-56 . . . . 19365 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 . ALA . 19365 1 2 . ILE . 19365 1 3 . SER . 19365 1 4 . CYS . 19365 1 5 . GLY . 19365 1 6 . ALA . 19365 1 7 . VAL . 19365 1 8 . THR . 19365 1 9 . SER . 19365 1 10 . ASP . 19365 1 11 . LEU . 19365 1 12 . SER . 19365 1 13 . PRO . 19365 1 14 . CYS . 19365 1 15 . LEU . 19365 1 16 . THR . 19365 1 17 . TYR . 19365 1 18 . LEU . 19365 1 19 . THR . 19365 1 20 . GLY . 19365 1 21 . GLY . 19365 1 22 . PRO . 19365 1 23 . GLY . 19365 1 24 . PRO . 19365 1 25 . SER . 19365 1 26 . PRO . 19365 1 27 . GLN . 19365 1 28 . CYS . 19365 1 29 . CYS . 19365 1 30 . GLY . 19365 1 31 . GLY . 19365 1 32 . VAL . 19365 1 33 . LYS . 19365 1 34 . LYS . 19365 1 35 . LEU . 19365 1 36 . LEU . 19365 1 37 . ALA . 19365 1 38 . ALA . 19365 1 39 . ALA . 19365 1 40 . ASN . 19365 1 41 . THR . 19365 1 42 . THR . 19365 1 43 . PRO . 19365 1 44 . ASP . 19365 1 45 . ARG . 19365 1 46 . GLN . 19365 1 47 . ALA . 19365 1 48 . ALA . 19365 1 49 . CYS . 19365 1 50 . ASN . 19365 1 51 . CYS . 19365 1 52 . LEU . 19365 1 53 . LYS . 19365 1 54 . SER . 19365 1 55 . ALA . 19365 1 56 . ALA . 19365 1 57 . GLY . 19365 1 58 . SER . 19365 1 59 . ILE . 19365 1 60 . THR . 19365 1 61 . LYS . 19365 1 62 . LEU . 19365 1 63 . ASN . 19365 1 64 . THR . 19365 1 65 . ASN . 19365 1 66 . ASN . 19365 1 67 . ALA . 19365 1 68 . ALA . 19365 1 69 . ALA . 19365 1 70 . LEU . 19365 1 71 . PRO . 19365 1 72 . GLY . 19365 1 73 . LYS . 19365 1 74 . CYS . 19365 1 75 . GLY . 19365 1 76 . VAL . 19365 1 77 . ASN . 19365 1 78 . ILE . 19365 1 79 . PRO . 19365 1 80 . TYR . 19365 1 81 . LYS . 19365 1 82 . ILE . 19365 1 83 . SER . 19365 1 84 . THR . 19365 1 85 . THR . 19365 1 86 . THR . 19365 1 87 . ASN . 19365 1 88 . CYS . 19365 1 89 . ASN . 19365 1 90 . THR . 19365 1 91 . VAL . 19365 1 92 . LYS . 19365 1 93 . PHE . 19365 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 19365 1 . ILE 2 2 19365 1 . SER 3 3 19365 1 . CYS 4 4 19365 1 . GLY 5 5 19365 1 . ALA 6 6 19365 1 . VAL 7 7 19365 1 . THR 8 8 19365 1 . SER 9 9 19365 1 . ASP 10 10 19365 1 . LEU 11 11 19365 1 . SER 12 12 19365 1 . PRO 13 13 19365 1 . CYS 14 14 19365 1 . LEU 15 15 19365 1 . THR 16 16 19365 1 . TYR 17 17 19365 1 . LEU 18 18 19365 1 . THR 19 19 19365 1 . GLY 20 20 19365 1 . GLY 21 21 19365 1 . PRO 22 22 19365 1 . GLY 23 23 19365 1 . PRO 24 24 19365 1 . SER 25 25 19365 1 . PRO 26 26 19365 1 . GLN 27 27 19365 1 . CYS 28 28 19365 1 . CYS 29 29 19365 1 . GLY 30 30 19365 1 . GLY 31 31 19365 1 . VAL 32 32 19365 1 . LYS 33 33 19365 1 . LYS 34 34 19365 1 . LEU 35 35 19365 1 . LEU 36 36 19365 1 . ALA 37 37 19365 1 . ALA 38 38 19365 1 . ALA 39 39 19365 1 . ASN 40 40 19365 1 . THR 41 41 19365 1 . THR 42 42 19365 1 . PRO 43 43 19365 1 . ASP 44 44 19365 1 . ARG 45 45 19365 1 . GLN 46 46 19365 1 . ALA 47 47 19365 1 . ALA 48 48 19365 1 . CYS 49 49 19365 1 . ASN 50 50 19365 1 . CYS 51 51 19365 1 . LEU 52 52 19365 1 . LYS 53 53 19365 1 . SER 54 54 19365 1 . ALA 55 55 19365 1 . ALA 56 56 19365 1 . GLY 57 57 19365 1 . SER 58 58 19365 1 . ILE 59 59 19365 1 . THR 60 60 19365 1 . LYS 61 61 19365 1 . LEU 62 62 19365 1 . ASN 63 63 19365 1 . THR 64 64 19365 1 . ASN 65 65 19365 1 . ASN 66 66 19365 1 . ALA 67 67 19365 1 . ALA 68 68 19365 1 . ALA 69 69 19365 1 . LEU 70 70 19365 1 . PRO 71 71 19365 1 . GLY 72 72 19365 1 . LYS 73 73 19365 1 . CYS 74 74 19365 1 . GLY 75 75 19365 1 . VAL 76 76 19365 1 . ASN 77 77 19365 1 . ILE 78 78 19365 1 . PRO 79 79 19365 1 . TYR 80 80 19365 1 . LYS 81 81 19365 1 . ILE 82 82 19365 1 . SER 83 83 19365 1 . THR 84 84 19365 1 . THR 85 85 19365 1 . THR 86 86 19365 1 . ASN 87 87 19365 1 . CYS 88 88 19365 1 . ASN 89 89 19365 1 . THR 90 90 19365 1 . VAL 91 91 19365 1 . LYS 92 92 19365 1 . PHE 93 93 19365 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 19365 _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 $Lc-LTP2 . 3864 organism . 'Lens culinaris' lentil . . Eukaryota Viridiplantae Lens Culinaris . . . . . . . . . . . . . . . . . . . . . 19365 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 19365 _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 $Lc-LTP2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-His8-TrxL-Lc-LTP2 . . . . . . 19365 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19365 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Lc-LTP2 '[U-100% 15N]' . . 1 $Lc-LTP2 . . 1.4 . . mM . . . . 19365 1 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19365 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19365 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Lc-LTP2 '[U-100% 15N]' . . 1 $Lc-LTP2 . . 1.4 . . mM . . . . 19365 2 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19365 2 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19365 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19365 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM sodium acetate buffer solution' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Lc-LTP2 '[U-100% 13C; U-100% 15N]' . . 1 $Lc-LTP2 . . . 1.0 1.5 mM . . . . 19365 3 2 H2O 'natural source' . . . . . . 95 . . % . . . . 19365 3 3 D2O 'natural source' . . . . . . 5 . . % . . . . 19365 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19365 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 19365 1 pH 5.6 . pH 19365 1 pressure 1 . atm 19365 1 temperature 303 . K 19365 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 19365 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19365 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19365 1 'peak picking' 19365 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19365 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19365 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19365 2 'structure solution' 19365 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19365 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19365 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19365 3 stop_ save_ save_Procheck _Software.Sf_category software _Software.Sf_framecode Procheck _Software.Entry_ID 19365 _Software.ID 4 _Software.Name Procheck _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Tho' . . 19365 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19365 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19365 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19365 _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 . . . 19365 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 19365 _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 DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19365 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19365 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19365 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19365 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19365 1 6 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19365 1 7 '3D HNHA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19365 1 8 '3D HNHB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19365 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19365 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19365 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19365 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 19365 _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 . . . . . . . . . 19365 1 H 1 water protons . . . . ppm 4.75 na direct 1.000000000 . . . . . . . . . 19365 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19365 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19365 _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 2 '2D 1H-1H TOCSY' . . . 19365 1 3 '2D 1H-1H NOESY' . . . 19365 1 6 '3D 1H-15N TOCSY' . . . 19365 1 9 '3D 1H-13C NOESY' . . . 19365 1 10 '3D HCCH-TOCSY' . . . 19365 1 11 '3D 1H-15N NOESY' . . . 19365 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.245 0.020 . 1 . . . A 1 ALA HA . 19365 1 2 . 1 1 1 1 ALA HB1 H 1 1.501 0.020 . 1 . . . A 1 ALA HB1 . 19365 1 3 . 1 1 1 1 ALA HB2 H 1 1.501 0.020 . 1 . . . A 1 ALA HB2 . 19365 1 4 . 1 1 1 1 ALA HB3 H 1 1.501 0.020 . 1 . . . A 1 ALA HB3 . 19365 1 5 . 1 1 1 1 ALA CA C 13 50.927 0.400 . 1 . . . A 1 ALA CA . 19365 1 6 . 1 1 1 1 ALA CB C 13 18.760 0.400 . 1 . . . A 1 ALA CB . 19365 1 7 . 1 1 2 2 ILE H H 1 8.570 0.020 . 1 . . . A 2 ILE H . 19365 1 8 . 1 1 2 2 ILE HA H 1 4.322 0.020 . 1 . . . A 2 ILE HA . 19365 1 9 . 1 1 2 2 ILE HB H 1 1.835 0.020 . 1 . . . A 2 ILE HB . 19365 1 10 . 1 1 2 2 ILE HG12 H 1 1.295 0.020 . 1 . . . A 2 ILE HG12 . 19365 1 11 . 1 1 2 2 ILE HG13 H 1 1.551 0.020 . 1 . . . A 2 ILE HG13 . 19365 1 12 . 1 1 2 2 ILE HG21 H 1 0.764 0.020 . 1 . . . A 2 ILE HG21 . 19365 1 13 . 1 1 2 2 ILE HG22 H 1 0.764 0.020 . 1 . . . A 2 ILE HG22 . 19365 1 14 . 1 1 2 2 ILE HG23 H 1 0.764 0.020 . 1 . . . A 2 ILE HG23 . 19365 1 15 . 1 1 2 2 ILE HD11 H 1 0.761 0.020 . 1 . . . A 2 ILE HD11 . 19365 1 16 . 1 1 2 2 ILE HD12 H 1 0.761 0.020 . 1 . . . A 2 ILE HD12 . 19365 1 17 . 1 1 2 2 ILE HD13 H 1 0.761 0.020 . 1 . . . A 2 ILE HD13 . 19365 1 18 . 1 1 2 2 ILE CA C 13 58.816 0.400 . 1 . . . A 2 ILE CA . 19365 1 19 . 1 1 2 2 ILE CB C 13 38.202 0.400 . 1 . . . A 2 ILE CB . 19365 1 20 . 1 1 2 2 ILE CG1 C 13 26.265 0.400 . 1 . . . A 2 ILE CG1 . 19365 1 21 . 1 1 2 2 ILE CG2 C 13 16.384 0.400 . 1 . . . A 2 ILE CG2 . 19365 1 22 . 1 1 2 2 ILE CD1 C 13 11.132 0.400 . 1 . . . A 2 ILE CD1 . 19365 1 23 . 1 1 2 2 ILE N N 15 121.044 0.400 . 1 . . . A 2 ILE N . 19365 1 24 . 1 1 3 3 SER H H 1 8.335 0.020 . 1 . . . A 3 SER H . 19365 1 25 . 1 1 3 3 SER HA H 1 4.785 0.020 . 1 . . . A 3 SER HA . 19365 1 26 . 1 1 3 3 SER HB2 H 1 4.047 0.020 . 1 . . . A 3 SER HB2 . 19365 1 27 . 1 1 3 3 SER HB3 H 1 3.932 0.020 . 1 . . . A 3 SER HB3 . 19365 1 28 . 1 1 3 3 SER HG H 1 4.754 0.020 . 1 . . . A 3 SER HG . 19365 1 29 . 1 1 3 3 SER CA C 13 55.188 0.400 . 1 . . . A 3 SER CA . 19365 1 30 . 1 1 3 3 SER CB C 13 63.880 0.400 . 1 . . . A 3 SER CB . 19365 1 31 . 1 1 3 3 SER N N 15 120.308 0.400 . 1 . . . A 3 SER N . 19365 1 32 . 1 1 4 4 CYS H H 1 9.388 0.020 . 1 . . . A 4 CYS H . 19365 1 33 . 1 1 4 4 CYS HA H 1 4.629 0.020 . 1 . . . A 4 CYS HA . 19365 1 34 . 1 1 4 4 CYS HB2 H 1 2.909 0.020 . 1 . . . A 4 CYS HB2 . 19365 1 35 . 1 1 4 4 CYS HB3 H 1 3.465 0.020 . 1 . . . A 4 CYS HB3 . 19365 1 36 . 1 1 4 4 CYS CA C 13 54.637 0.400 . 1 . . . A 4 CYS CA . 19365 1 37 . 1 1 4 4 CYS CB C 13 32.296 0.400 . 1 . . . A 4 CYS CB . 19365 1 38 . 1 1 4 4 CYS N N 15 122.758 0.400 . 1 . . . A 4 CYS N . 19365 1 39 . 1 1 5 5 GLY H H 1 8.836 0.020 . 1 . . . A 5 GLY H . 19365 1 40 . 1 1 5 5 GLY HA2 H 1 3.879 0.020 . 1 . . . A 5 GLY HA2 . 19365 1 41 . 1 1 5 5 GLY HA3 H 1 3.922 0.020 . 1 . . . A 5 GLY HA3 . 19365 1 42 . 1 1 5 5 GLY CA C 13 46.355 0.400 . 1 . . . A 5 GLY CA . 19365 1 43 . 1 1 5 5 GLY N N 15 110.873 0.400 . 1 . . . A 5 GLY N . 19365 1 44 . 1 1 6 6 ALA H H 1 7.591 0.020 . 1 . . . A 6 ALA H . 19365 1 45 . 1 1 6 6 ALA HA H 1 4.266 0.020 . 1 . . . A 6 ALA HA . 19365 1 46 . 1 1 6 6 ALA HB1 H 1 1.552 0.020 . 1 . . . A 6 ALA HB1 . 19365 1 47 . 1 1 6 6 ALA HB2 H 1 1.552 0.020 . 1 . . . A 6 ALA HB2 . 19365 1 48 . 1 1 6 6 ALA HB3 H 1 1.552 0.020 . 1 . . . A 6 ALA HB3 . 19365 1 49 . 1 1 6 6 ALA CA C 13 53.833 0.400 . 1 . . . A 6 ALA CA . 19365 1 50 . 1 1 6 6 ALA CB C 13 17.580 0.400 . 1 . . . A 6 ALA CB . 19365 1 51 . 1 1 6 6 ALA N N 15 125.059 0.400 . 1 . . . A 6 ALA N . 19365 1 52 . 1 1 7 7 VAL H H 1 7.614 0.020 . 1 . . . A 7 VAL H . 19365 1 53 . 1 1 7 7 VAL HA H 1 3.756 0.020 . 1 . . . A 7 VAL HA . 19365 1 54 . 1 1 7 7 VAL HB H 1 2.313 0.020 . 1 . . . A 7 VAL HB . 19365 1 55 . 1 1 7 7 VAL HG11 H 1 0.887 0.020 . 1 . . . A 7 VAL HG11 . 19365 1 56 . 1 1 7 7 VAL HG12 H 1 0.887 0.020 . 1 . . . A 7 VAL HG12 . 19365 1 57 . 1 1 7 7 VAL HG13 H 1 0.887 0.020 . 1 . . . A 7 VAL HG13 . 19365 1 58 . 1 1 7 7 VAL HG21 H 1 1.098 0.020 . 1 . . . A 7 VAL HG21 . 19365 1 59 . 1 1 7 7 VAL HG22 H 1 1.098 0.020 . 1 . . . A 7 VAL HG22 . 19365 1 60 . 1 1 7 7 VAL HG23 H 1 1.098 0.020 . 1 . . . A 7 VAL HG23 . 19365 1 61 . 1 1 7 7 VAL CA C 13 65.367 0.400 . 1 . . . A 7 VAL CA . 19365 1 62 . 1 1 7 7 VAL CB C 13 30.893 0.400 . 1 . . . A 7 VAL CB . 19365 1 63 . 1 1 7 7 VAL CG1 C 13 20.519 0.400 . 1 . . . A 7 VAL CG1 . 19365 1 64 . 1 1 7 7 VAL CG2 C 13 21.851 0.400 . 1 . . . A 7 VAL CG2 . 19365 1 65 . 1 1 7 7 VAL N N 15 117.520 0.400 . 1 . . . A 7 VAL N . 19365 1 66 . 1 1 8 8 THR H H 1 8.337 0.020 . 1 . . . A 8 THR H . 19365 1 67 . 1 1 8 8 THR HA H 1 3.742 0.020 . 1 . . . A 8 THR HA . 19365 1 68 . 1 1 8 8 THR HB H 1 4.267 0.020 . 1 . . . A 8 THR HB . 19365 1 69 . 1 1 8 8 THR HG21 H 1 1.216 0.020 . 1 . . . A 8 THR HG21 . 19365 1 70 . 1 1 8 8 THR HG22 H 1 1.216 0.020 . 1 . . . A 8 THR HG22 . 19365 1 71 . 1 1 8 8 THR HG23 H 1 1.216 0.020 . 1 . . . A 8 THR HG23 . 19365 1 72 . 1 1 8 8 THR CA C 13 65.911 0.400 . 1 . . . A 8 THR CA . 19365 1 73 . 1 1 8 8 THR CB C 13 67.643 0.400 . 1 . . . A 8 THR CB . 19365 1 74 . 1 1 8 8 THR CG2 C 13 21.058 0.400 . 1 . . . A 8 THR CG2 . 19365 1 75 . 1 1 8 8 THR N N 15 113.545 0.400 . 1 . . . A 8 THR N . 19365 1 76 . 1 1 9 9 SER H H 1 7.902 0.020 . 1 . . . A 9 SER H . 19365 1 77 . 1 1 9 9 SER HA H 1 4.302 0.020 . 1 . . . A 9 SER HA . 19365 1 78 . 1 1 9 9 SER HB2 H 1 4.009 0.020 . 2 . . . A 9 SER HB2 . 19365 1 79 . 1 1 9 9 SER HB3 H 1 4.009 0.020 . 2 . . . A 9 SER HB3 . 19365 1 80 . 1 1 9 9 SER CA C 13 61.027 0.400 . 1 . . . A 9 SER CA . 19365 1 81 . 1 1 9 9 SER CB C 13 62.046 0.400 . 1 . . . A 9 SER CB . 19365 1 82 . 1 1 9 9 SER N N 15 116.994 0.400 . 1 . . . A 9 SER N . 19365 1 83 . 1 1 10 10 ASP H H 1 8.357 0.020 . 1 . . . A 10 ASP H . 19365 1 84 . 1 1 10 10 ASP HA H 1 4.496 0.020 . 1 . . . A 10 ASP HA . 19365 1 85 . 1 1 10 10 ASP HB2 H 1 2.954 0.020 . 1 . . . A 10 ASP HB2 . 19365 1 86 . 1 1 10 10 ASP HB3 H 1 2.781 0.020 . 1 . . . A 10 ASP HB3 . 19365 1 87 . 1 1 10 10 ASP CA C 13 55.883 0.400 . 1 . . . A 10 ASP CA . 19365 1 88 . 1 1 10 10 ASP CB C 13 38.121 0.400 . 1 . . . A 10 ASP CB . 19365 1 89 . 1 1 10 10 ASP N N 15 122.236 0.400 . 1 . . . A 10 ASP N . 19365 1 90 . 1 1 11 11 LEU H H 1 7.721 0.020 . 1 . . . A 11 LEU H . 19365 1 91 . 1 1 11 11 LEU HA H 1 4.310 0.020 . 1 . . . A 11 LEU HA . 19365 1 92 . 1 1 11 11 LEU HB2 H 1 1.598 0.020 . 1 . . . A 11 LEU HB2 . 19365 1 93 . 1 1 11 11 LEU HB3 H 1 1.640 0.020 . 1 . . . A 11 LEU HB3 . 19365 1 94 . 1 1 11 11 LEU HG H 1 1.796 0.020 . 1 . . . A 11 LEU HG . 19365 1 95 . 1 1 11 11 LEU HD11 H 1 0.734 0.020 . 1 . . . A 11 LEU HD11 . 19365 1 96 . 1 1 11 11 LEU HD12 H 1 0.734 0.020 . 1 . . . A 11 LEU HD12 . 19365 1 97 . 1 1 11 11 LEU HD13 H 1 0.734 0.020 . 1 . . . A 11 LEU HD13 . 19365 1 98 . 1 1 11 11 LEU HD21 H 1 0.697 0.020 . 1 . . . A 11 LEU HD21 . 19365 1 99 . 1 1 11 11 LEU HD22 H 1 0.697 0.020 . 1 . . . A 11 LEU HD22 . 19365 1 100 . 1 1 11 11 LEU HD23 H 1 0.697 0.020 . 1 . . . A 11 LEU HD23 . 19365 1 101 . 1 1 11 11 LEU CA C 13 53.691 0.400 . 1 . . . A 11 LEU CA . 19365 1 102 . 1 1 11 11 LEU CB C 13 41.925 0.400 . 1 . . . A 11 LEU CB . 19365 1 103 . 1 1 11 11 LEU CG C 13 26.126 0.400 . 1 . . . A 11 LEU CG . 19365 1 104 . 1 1 11 11 LEU CD1 C 13 23.790 0.400 . 1 . . . A 11 LEU CD1 . 19365 1 105 . 1 1 11 11 LEU CD2 C 13 22.638 0.400 . 1 . . . A 11 LEU CD2 . 19365 1 106 . 1 1 11 11 LEU N N 15 114.751 0.400 . 1 . . . A 11 LEU N . 19365 1 107 . 1 1 12 12 SER H H 1 7.808 0.020 . 1 . . . A 12 SER H . 19365 1 108 . 1 1 12 12 SER HA H 1 4.367 0.020 . 1 . . . A 12 SER HA . 19365 1 109 . 1 1 12 12 SER HB2 H 1 4.210 0.020 . 2 . . . A 12 SER HB2 . 19365 1 110 . 1 1 12 12 SER HB3 H 1 4.210 0.020 . 2 . . . A 12 SER HB3 . 19365 1 111 . 1 1 12 12 SER CA C 13 63.064 0.400 . 1 . . . A 12 SER CA . 19365 1 112 . 1 1 12 12 SER CB C 13 61.381 0.400 . 1 . . . A 12 SER CB . 19365 1 113 . 1 1 12 12 SER N N 15 118.323 0.400 . 1 . . . A 12 SER N . 19365 1 114 . 1 1 13 13 PRO HA H 1 4.774 0.020 . 1 . . . A 13 PRO HA . 19365 1 115 . 1 1 13 13 PRO HB2 H 1 1.375 0.020 . 1 . . . A 13 PRO HB2 . 19365 1 116 . 1 1 13 13 PRO HB3 H 1 2.484 0.020 . 1 . . . A 13 PRO HB3 . 19365 1 117 . 1 1 13 13 PRO HG2 H 1 1.932 0.020 . 1 . . . A 13 PRO HG2 . 19365 1 118 . 1 1 13 13 PRO HG3 H 1 2.000 0.020 . 1 . . . A 13 PRO HG3 . 19365 1 119 . 1 1 13 13 PRO HD2 H 1 3.756 0.020 . 1 . . . A 13 PRO HD2 . 19365 1 120 . 1 1 13 13 PRO HD3 H 1 3.927 0.020 . 1 . . . A 13 PRO HD3 . 19365 1 121 . 1 1 13 13 PRO CA C 13 64.150 0.400 . 1 . . . A 13 PRO CA . 19365 1 122 . 1 1 13 13 PRO CB C 13 30.582 0.400 . 1 . . . A 13 PRO CB . 19365 1 123 . 1 1 13 13 PRO CG C 13 27.489 0.400 . 1 . . . A 13 PRO CG . 19365 1 124 . 1 1 13 13 PRO CD C 13 50.460 0.400 . 1 . . . A 13 PRO CD . 19365 1 125 . 1 1 14 14 CYS H H 1 8.800 0.020 . 1 . . . A 14 CYS H . 19365 1 126 . 1 1 14 14 CYS HA H 1 4.901 0.020 . 1 . . . A 14 CYS HA . 19365 1 127 . 1 1 14 14 CYS HB2 H 1 3.301 0.020 . 1 . . . A 14 CYS HB2 . 19365 1 128 . 1 1 14 14 CYS HB3 H 1 3.261 0.020 . 1 . . . A 14 CYS HB3 . 19365 1 129 . 1 1 14 14 CYS CA C 13 53.613 0.400 . 1 . . . A 14 CYS CA . 19365 1 130 . 1 1 14 14 CYS CB C 13 41.164 0.400 . 1 . . . A 14 CYS CB . 19365 1 131 . 1 1 14 14 CYS N N 15 113.894 0.400 . 1 . . . A 14 CYS N . 19365 1 132 . 1 1 15 15 LEU H H 1 8.037 0.020 . 1 . . . A 15 LEU H . 19365 1 133 . 1 1 15 15 LEU HA H 1 3.948 0.020 . 1 . . . A 15 LEU HA . 19365 1 134 . 1 1 15 15 LEU HB2 H 1 1.999 0.020 . 1 . . . A 15 LEU HB2 . 19365 1 135 . 1 1 15 15 LEU HB3 H 1 1.728 0.020 . 1 . . . A 15 LEU HB3 . 19365 1 136 . 1 1 15 15 LEU HG H 1 1.879 0.020 . 1 . . . A 15 LEU HG . 19365 1 137 . 1 1 15 15 LEU HD11 H 1 1.002 0.020 . 1 . . . A 15 LEU HD11 . 19365 1 138 . 1 1 15 15 LEU HD12 H 1 1.002 0.020 . 1 . . . A 15 LEU HD12 . 19365 1 139 . 1 1 15 15 LEU HD13 H 1 1.002 0.020 . 1 . . . A 15 LEU HD13 . 19365 1 140 . 1 1 15 15 LEU HD21 H 1 0.877 0.020 . 1 . . . A 15 LEU HD21 . 19365 1 141 . 1 1 15 15 LEU HD22 H 1 0.877 0.020 . 1 . . . A 15 LEU HD22 . 19365 1 142 . 1 1 15 15 LEU HD23 H 1 0.877 0.020 . 1 . . . A 15 LEU HD23 . 19365 1 143 . 1 1 15 15 LEU CA C 13 59.269 0.400 . 1 . . . A 15 LEU CA . 19365 1 144 . 1 1 15 15 LEU CB C 13 40.337 0.400 . 1 . . . A 15 LEU CB . 19365 1 145 . 1 1 15 15 LEU CG C 13 26.440 0.400 . 1 . . . A 15 LEU CG . 19365 1 146 . 1 1 15 15 LEU CD1 C 13 23.646 0.400 . 1 . . . A 15 LEU CD1 . 19365 1 147 . 1 1 15 15 LEU CD2 C 13 22.257 0.400 . 1 . . . A 15 LEU CD2 . 19365 1 148 . 1 1 15 15 LEU N N 15 122.998 0.400 . 1 . . . A 15 LEU N . 19365 1 149 . 1 1 16 16 THR H H 1 8.575 0.020 . 1 . . . A 16 THR H . 19365 1 150 . 1 1 16 16 THR HA H 1 3.923 0.020 . 1 . . . A 16 THR HA . 19365 1 151 . 1 1 16 16 THR HB H 1 4.284 0.020 . 1 . . . A 16 THR HB . 19365 1 152 . 1 1 16 16 THR HG1 H 1 4.764 0.020 . 1 . . . A 16 THR HG1 . 19365 1 153 . 1 1 16 16 THR HG21 H 1 1.386 0.020 . 1 . . . A 16 THR HG21 . 19365 1 154 . 1 1 16 16 THR HG22 H 1 1.386 0.020 . 1 . . . A 16 THR HG22 . 19365 1 155 . 1 1 16 16 THR HG23 H 1 1.386 0.020 . 1 . . . A 16 THR HG23 . 19365 1 156 . 1 1 16 16 THR CA C 13 65.499 0.400 . 1 . . . A 16 THR CA . 19365 1 157 . 1 1 16 16 THR CB C 13 67.771 0.400 . 1 . . . A 16 THR CB . 19365 1 158 . 1 1 16 16 THR CG2 C 13 21.224 0.400 . 1 . . . A 16 THR CG2 . 19365 1 159 . 1 1 16 16 THR N N 15 112.778 0.400 . 1 . . . A 16 THR N . 19365 1 160 . 1 1 17 17 TYR H H 1 7.441 0.020 . 1 . . . A 17 TYR H . 19365 1 161 . 1 1 17 17 TYR HA H 1 4.440 0.020 . 1 . . . A 17 TYR HA . 19365 1 162 . 1 1 17 17 TYR HB2 H 1 3.426 0.020 . 1 . . . A 17 TYR HB2 . 19365 1 163 . 1 1 17 17 TYR HB3 H 1 3.008 0.020 . 1 . . . A 17 TYR HB3 . 19365 1 164 . 1 1 17 17 TYR HD1 H 1 6.872 0.020 . 1 . . . A 17 TYR HD1 . 19365 1 165 . 1 1 17 17 TYR HD2 H 1 6.872 0.020 . 1 . . . A 17 TYR HD2 . 19365 1 166 . 1 1 17 17 TYR HE1 H 1 6.676 0.020 . 1 . . . A 17 TYR HE1 . 19365 1 167 . 1 1 17 17 TYR HE2 H 1 6.676 0.020 . 1 . . . A 17 TYR HE2 . 19365 1 168 . 1 1 17 17 TYR CA C 13 58.730 0.400 . 1 . . . A 17 TYR CA . 19365 1 169 . 1 1 17 17 TYR CB C 13 38.669 0.400 . 1 . . . A 17 TYR CB . 19365 1 170 . 1 1 17 17 TYR N N 15 123.047 0.400 . 1 . . . A 17 TYR N . 19365 1 171 . 1 1 18 18 LEU H H 1 8.878 0.020 . 1 . . . A 18 LEU H . 19365 1 172 . 1 1 18 18 LEU HA H 1 3.846 0.020 . 1 . . . A 18 LEU HA . 19365 1 173 . 1 1 18 18 LEU HB2 H 1 2.007 0.020 . 1 . . . A 18 LEU HB2 . 19365 1 174 . 1 1 18 18 LEU HB3 H 1 1.504 0.020 . 1 . . . A 18 LEU HB3 . 19365 1 175 . 1 1 18 18 LEU HG H 1 1.897 0.020 . 1 . . . A 18 LEU HG . 19365 1 176 . 1 1 18 18 LEU HD11 H 1 0.751 0.020 . 1 . . . A 18 LEU HD11 . 19365 1 177 . 1 1 18 18 LEU HD12 H 1 0.751 0.020 . 1 . . . A 18 LEU HD12 . 19365 1 178 . 1 1 18 18 LEU HD13 H 1 0.751 0.020 . 1 . . . A 18 LEU HD13 . 19365 1 179 . 1 1 18 18 LEU HD21 H 1 0.859 0.020 . 1 . . . A 18 LEU HD21 . 19365 1 180 . 1 1 18 18 LEU HD22 H 1 0.859 0.020 . 1 . . . A 18 LEU HD22 . 19365 1 181 . 1 1 18 18 LEU HD23 H 1 0.859 0.020 . 1 . . . A 18 LEU HD23 . 19365 1 182 . 1 1 18 18 LEU CA C 13 56.594 0.400 . 1 . . . A 18 LEU CA . 19365 1 183 . 1 1 18 18 LEU CB C 13 40.792 0.400 . 1 . . . A 18 LEU CB . 19365 1 184 . 1 1 18 18 LEU CG C 13 26.067 0.400 . 1 . . . A 18 LEU CG . 19365 1 185 . 1 1 18 18 LEU CD1 C 13 24.456 0.400 . 1 . . . A 18 LEU CD1 . 19365 1 186 . 1 1 18 18 LEU CD2 C 13 21.378 0.400 . 1 . . . A 18 LEU CD2 . 19365 1 187 . 1 1 18 18 LEU N N 15 120.016 0.400 . 1 . . . A 18 LEU N . 19365 1 188 . 1 1 19 19 THR H H 1 7.593 0.020 . 1 . . . A 19 THR H . 19365 1 189 . 1 1 19 19 THR HA H 1 4.776 0.020 . 1 . . . A 19 THR HA . 19365 1 190 . 1 1 19 19 THR HB H 1 4.582 0.020 . 1 . . . A 19 THR HB . 19365 1 191 . 1 1 19 19 THR HG21 H 1 1.156 0.020 . 1 . . . A 19 THR HG21 . 19365 1 192 . 1 1 19 19 THR HG22 H 1 1.156 0.020 . 1 . . . A 19 THR HG22 . 19365 1 193 . 1 1 19 19 THR HG23 H 1 1.156 0.020 . 1 . . . A 19 THR HG23 . 19365 1 194 . 1 1 19 19 THR CA C 13 60.526 0.400 . 1 . . . A 19 THR CA . 19365 1 195 . 1 1 19 19 THR CB C 13 68.447 0.400 . 1 . . . A 19 THR CB . 19365 1 196 . 1 1 19 19 THR CG2 C 13 20.942 0.400 . 1 . . . A 19 THR CG2 . 19365 1 197 . 1 1 19 19 THR N N 15 105.866 0.400 . 1 . . . A 19 THR N . 19365 1 198 . 1 1 20 20 GLY H H 1 7.718 0.020 . 1 . . . A 20 GLY H . 19365 1 199 . 1 1 20 20 GLY HA2 H 1 4.656 0.020 . 1 . . . A 20 GLY HA2 . 19365 1 200 . 1 1 20 20 GLY HA3 H 1 3.455 0.020 . 1 . . . A 20 GLY HA3 . 19365 1 201 . 1 1 20 20 GLY CA C 13 44.570 0.400 . 1 . . . A 20 GLY CA . 19365 1 202 . 1 1 20 20 GLY N N 15 107.211 0.400 . 1 . . . A 20 GLY N . 19365 1 203 . 1 1 21 21 GLY H H 1 8.399 0.020 . 1 . . . A 21 GLY H . 19365 1 204 . 1 1 21 21 GLY HA2 H 1 4.447 0.020 . 1 . . . A 21 GLY HA2 . 19365 1 205 . 1 1 21 21 GLY HA3 H 1 3.700 0.020 . 1 . . . A 21 GLY HA3 . 19365 1 206 . 1 1 21 21 GLY CA C 13 43.706 0.400 . 1 . . . A 21 GLY CA . 19365 1 207 . 1 1 21 21 GLY N N 15 110.612 0.400 . 1 . . . A 21 GLY N . 19365 1 208 . 1 1 22 22 PRO HA H 1 4.640 0.020 . 1 . . . A 22 PRO HA . 19365 1 209 . 1 1 22 22 PRO HB2 H 1 1.918 0.020 . 1 . . . A 22 PRO HB2 . 19365 1 210 . 1 1 22 22 PRO HB3 H 1 2.364 0.020 . 1 . . . A 22 PRO HB3 . 19365 1 211 . 1 1 22 22 PRO HG2 H 1 1.988 0.020 . 1 . . . A 22 PRO HG2 . 19365 1 212 . 1 1 22 22 PRO HG3 H 1 2.065 0.020 . 1 . . . A 22 PRO HG3 . 19365 1 213 . 1 1 22 22 PRO HD2 H 1 3.523 0.020 . 1 . . . A 22 PRO HD2 . 19365 1 214 . 1 1 22 22 PRO HD3 H 1 3.640 0.020 . 1 . . . A 22 PRO HD3 . 19365 1 215 . 1 1 22 22 PRO CA C 13 62.058 0.400 . 1 . . . A 22 PRO CA . 19365 1 216 . 1 1 22 22 PRO CB C 13 31.882 0.400 . 1 . . . A 22 PRO CB . 19365 1 217 . 1 1 22 22 PRO CG C 13 26.450 0.400 . 1 . . . A 22 PRO CG . 19365 1 218 . 1 1 22 22 PRO CD C 13 48.805 0.400 . 1 . . . A 22 PRO CD . 19365 1 219 . 1 1 23 23 GLY H H 1 8.292 0.020 . 1 . . . A 23 GLY H . 19365 1 220 . 1 1 23 23 GLY HA2 H 1 4.433 0.020 . 1 . . . A 23 GLY HA2 . 19365 1 221 . 1 1 23 23 GLY HA3 H 1 3.313 0.020 . 1 . . . A 23 GLY HA3 . 19365 1 222 . 1 1 23 23 GLY CA C 13 42.986 0.400 . 1 . . . A 23 GLY CA . 19365 1 223 . 1 1 23 23 GLY N N 15 106.414 0.400 . 1 . . . A 23 GLY N . 19365 1 224 . 1 1 24 24 PRO HA H 1 4.051 0.020 . 1 . . . A 24 PRO HA . 19365 1 225 . 1 1 24 24 PRO HB2 H 1 1.734 0.020 . 1 . . . A 24 PRO HB2 . 19365 1 226 . 1 1 24 24 PRO HB3 H 1 1.580 0.020 . 1 . . . A 24 PRO HB3 . 19365 1 227 . 1 1 24 24 PRO HG2 H 1 1.661 0.020 . 1 . . . A 24 PRO HG2 . 19365 1 228 . 1 1 24 24 PRO HG3 H 1 1.625 0.020 . 1 . . . A 24 PRO HG3 . 19365 1 229 . 1 1 24 24 PRO HD2 H 1 2.527 0.020 . 1 . . . A 24 PRO HD2 . 19365 1 230 . 1 1 24 24 PRO HD3 H 1 3.334 0.020 . 1 . . . A 24 PRO HD3 . 19365 1 231 . 1 1 24 24 PRO CA C 13 60.514 0.400 . 1 . . . A 24 PRO CA . 19365 1 232 . 1 1 24 24 PRO CB C 13 33.201 0.400 . 1 . . . A 24 PRO CB . 19365 1 233 . 1 1 24 24 PRO CG C 13 23.928 0.400 . 1 . . . A 24 PRO CG . 19365 1 234 . 1 1 24 24 PRO CD C 13 48.380 0.400 . 1 . . . A 24 PRO CD . 19365 1 235 . 1 1 25 25 SER H H 1 8.842 0.020 . 1 . . . A 25 SER H . 19365 1 236 . 1 1 25 25 SER HA H 1 4.728 0.020 . 1 . . . A 25 SER HA . 19365 1 237 . 1 1 25 25 SER HB2 H 1 4.524 0.020 . 1 . . . A 25 SER HB2 . 19365 1 238 . 1 1 25 25 SER HB3 H 1 4.133 0.020 . 1 . . . A 25 SER HB3 . 19365 1 239 . 1 1 25 25 SER HG H 1 5.962 0.020 . 1 . . . A 25 SER HG . 19365 1 240 . 1 1 25 25 SER CA C 13 55.570 0.400 . 1 . . . A 25 SER CA . 19365 1 241 . 1 1 25 25 SER CB C 13 62.287 0.400 . 1 . . . A 25 SER CB . 19365 1 242 . 1 1 25 25 SER N N 15 120.709 0.400 . 1 . . . A 25 SER N . 19365 1 243 . 1 1 26 26 PRO HA H 1 4.325 0.020 . 1 . . . A 26 PRO HA . 19365 1 244 . 1 1 26 26 PRO HB2 H 1 1.901 0.020 . 1 . . . A 26 PRO HB2 . 19365 1 245 . 1 1 26 26 PRO HB3 H 1 2.404 0.020 . 1 . . . A 26 PRO HB3 . 19365 1 246 . 1 1 26 26 PRO HG2 H 1 2.215 0.020 . 1 . . . A 26 PRO HG2 . 19365 1 247 . 1 1 26 26 PRO HG3 H 1 2.055 0.020 . 1 . . . A 26 PRO HG3 . 19365 1 248 . 1 1 26 26 PRO HD2 H 1 3.921 0.020 . 2 . . . A 26 PRO HD2 . 19365 1 249 . 1 1 26 26 PRO HD3 H 1 3.921 0.020 . 2 . . . A 26 PRO HD3 . 19365 1 250 . 1 1 26 26 PRO CA C 13 64.750 0.400 . 1 . . . A 26 PRO CA . 19365 1 251 . 1 1 26 26 PRO CB C 13 30.837 0.400 . 1 . . . A 26 PRO CB . 19365 1 252 . 1 1 26 26 PRO CG C 13 27.260 0.400 . 1 . . . A 26 PRO CG . 19365 1 253 . 1 1 26 26 PRO CD C 13 49.700 0.400 . 1 . . . A 26 PRO CD . 19365 1 254 . 1 1 27 27 GLN H H 1 8.622 0.020 . 1 . . . A 27 GLN H . 19365 1 255 . 1 1 27 27 GLN HA H 1 4.146 0.020 . 1 . . . A 27 GLN HA . 19365 1 256 . 1 1 27 27 GLN HB2 H 1 2.152 0.020 . 1 . . . A 27 GLN HB2 . 19365 1 257 . 1 1 27 27 GLN HB3 H 1 1.988 0.020 . 1 . . . A 27 GLN HB3 . 19365 1 258 . 1 1 27 27 GLN HG2 H 1 2.656 0.020 . 1 . . . A 27 GLN HG2 . 19365 1 259 . 1 1 27 27 GLN HG3 H 1 2.510 0.020 . 1 . . . A 27 GLN HG3 . 19365 1 260 . 1 1 27 27 GLN HE21 H 1 7.637 0.020 . 2 . . . A 27 GLN HE21 . 19365 1 261 . 1 1 27 27 GLN HE22 H 1 6.953 0.020 . 2 . . . A 27 GLN HE22 . 19365 1 262 . 1 1 27 27 GLN CA C 13 58.985 0.400 . 1 . . . A 27 GLN CA . 19365 1 263 . 1 1 27 27 GLN CB C 13 26.697 0.400 . 1 . . . A 27 GLN CB . 19365 1 264 . 1 1 27 27 GLN CG C 13 33.720 0.400 . 1 . . . A 27 GLN CG . 19365 1 265 . 1 1 27 27 GLN N N 15 117.621 0.400 . 1 . . . A 27 GLN N . 19365 1 266 . 1 1 27 27 GLN NE2 N 15 111.983 0.400 . 1 . . . A 27 GLN NE2 . 19365 1 267 . 1 1 28 28 CYS H H 1 8.107 0.020 . 1 . . . A 28 CYS H . 19365 1 268 . 1 1 28 28 CYS HA H 1 4.381 0.020 . 1 . . . A 28 CYS HA . 19365 1 269 . 1 1 28 28 CYS HB2 H 1 2.994 0.020 . 1 . . . A 28 CYS HB2 . 19365 1 270 . 1 1 28 28 CYS HB3 H 1 3.336 0.020 . 1 . . . A 28 CYS HB3 . 19365 1 271 . 1 1 28 28 CYS CA C 13 58.300 0.400 . 1 . . . A 28 CYS CA . 19365 1 272 . 1 1 28 28 CYS CB C 13 36.572 0.400 . 1 . . . A 28 CYS CB . 19365 1 273 . 1 1 28 28 CYS N N 15 119.880 0.400 . 1 . . . A 28 CYS N . 19365 1 274 . 1 1 29 29 CYS H H 1 8.279 0.020 . 1 . . . A 29 CYS H . 19365 1 275 . 1 1 29 29 CYS HA H 1 4.676 0.020 . 1 . . . A 29 CYS HA . 19365 1 276 . 1 1 29 29 CYS HB2 H 1 2.759 0.020 . 1 . . . A 29 CYS HB2 . 19365 1 277 . 1 1 29 29 CYS HB3 H 1 3.081 0.020 . 1 . . . A 29 CYS HB3 . 19365 1 278 . 1 1 29 29 CYS CA C 13 54.207 0.400 . 1 . . . A 29 CYS CA . 19365 1 279 . 1 1 29 29 CYS CB C 13 32.154 0.400 . 1 . . . A 29 CYS CB . 19365 1 280 . 1 1 29 29 CYS N N 15 116.049 0.400 . 1 . . . A 29 CYS N . 19365 1 281 . 1 1 30 30 GLY H H 1 8.790 0.020 . 1 . . . A 30 GLY H . 19365 1 282 . 1 1 30 30 GLY HA2 H 1 3.860 0.020 . 1 . . . A 30 GLY HA2 . 19365 1 283 . 1 1 30 30 GLY HA3 H 1 3.986 0.020 . 1 . . . A 30 GLY HA3 . 19365 1 284 . 1 1 30 30 GLY CA C 13 46.450 0.400 . 1 . . . A 30 GLY CA . 19365 1 285 . 1 1 30 30 GLY N N 15 108.311 0.400 . 1 . . . A 30 GLY N . 19365 1 286 . 1 1 31 31 GLY H H 1 7.968 0.020 . 1 . . . A 31 GLY H . 19365 1 287 . 1 1 31 31 GLY HA2 H 1 3.888 0.020 . 1 . . . A 31 GLY HA2 . 19365 1 288 . 1 1 31 31 GLY HA3 H 1 4.200 0.020 . 1 . . . A 31 GLY HA3 . 19365 1 289 . 1 1 31 31 GLY CA C 13 46.754 0.400 . 1 . . . A 31 GLY CA . 19365 1 290 . 1 1 31 31 GLY N N 15 112.061 0.400 . 1 . . . A 31 GLY N . 19365 1 291 . 1 1 32 32 VAL H H 1 8.129 0.020 . 1 . . . A 32 VAL H . 19365 1 292 . 1 1 32 32 VAL HA H 1 3.567 0.020 . 1 . . . A 32 VAL HA . 19365 1 293 . 1 1 32 32 VAL HB H 1 2.255 0.020 . 1 . . . A 32 VAL HB . 19365 1 294 . 1 1 32 32 VAL HG11 H 1 0.848 0.020 . 1 . . . A 32 VAL HG11 . 19365 1 295 . 1 1 32 32 VAL HG12 H 1 0.848 0.020 . 1 . . . A 32 VAL HG12 . 19365 1 296 . 1 1 32 32 VAL HG13 H 1 0.848 0.020 . 1 . . . A 32 VAL HG13 . 19365 1 297 . 1 1 32 32 VAL HG21 H 1 1.080 0.020 . 1 . . . A 32 VAL HG21 . 19365 1 298 . 1 1 32 32 VAL HG22 H 1 1.080 0.020 . 1 . . . A 32 VAL HG22 . 19365 1 299 . 1 1 32 32 VAL HG23 H 1 1.080 0.020 . 1 . . . A 32 VAL HG23 . 19365 1 300 . 1 1 32 32 VAL CA C 13 65.906 0.400 . 1 . . . A 32 VAL CA . 19365 1 301 . 1 1 32 32 VAL CB C 13 30.984 0.400 . 1 . . . A 32 VAL CB . 19365 1 302 . 1 1 32 32 VAL CG1 C 13 20.925 0.400 . 1 . . . A 32 VAL CG1 . 19365 1 303 . 1 1 32 32 VAL CG2 C 13 22.845 0.400 . 1 . . . A 32 VAL CG2 . 19365 1 304 . 1 1 32 32 VAL N N 15 121.447 0.400 . 1 . . . A 32 VAL N . 19365 1 305 . 1 1 33 33 LYS H H 1 8.300 0.020 . 1 . . . A 33 LYS H . 19365 1 306 . 1 1 33 33 LYS HA H 1 3.867 0.020 . 1 . . . A 33 LYS HA . 19365 1 307 . 1 1 33 33 LYS HB2 H 1 1.888 0.020 . 2 . . . A 33 LYS HB2 . 19365 1 308 . 1 1 33 33 LYS HB3 H 1 1.888 0.020 . 2 . . . A 33 LYS HB3 . 19365 1 309 . 1 1 33 33 LYS HG2 H 1 1.373 0.020 . 1 . . . A 33 LYS HG2 . 19365 1 310 . 1 1 33 33 LYS HG3 H 1 1.603 0.020 . 1 . . . A 33 LYS HG3 . 19365 1 311 . 1 1 33 33 LYS HD2 H 1 1.668 0.020 . 1 . . . A 33 LYS HD2 . 19365 1 312 . 1 1 33 33 LYS HD3 H 1 1.668 0.020 . 1 . . . A 33 LYS HD3 . 19365 1 313 . 1 1 33 33 LYS HE2 H 1 2.897 0.020 . 1 . . . A 33 LYS HE2 . 19365 1 314 . 1 1 33 33 LYS HE3 H 1 2.897 0.020 . 1 . . . A 33 LYS HE3 . 19365 1 315 . 1 1 33 33 LYS CA C 13 59.856 0.400 . 1 . . . A 33 LYS CA . 19365 1 316 . 1 1 33 33 LYS CB C 13 31.515 0.400 . 1 . . . A 33 LYS CB . 19365 1 317 . 1 1 33 33 LYS CG C 13 25.985 0.400 . 1 . . . A 33 LYS CG . 19365 1 318 . 1 1 33 33 LYS CD C 13 28.764 0.400 . 1 . . . A 33 LYS CD . 19365 1 319 . 1 1 33 33 LYS CE C 13 41.530 0.400 . 1 . . . A 33 LYS CE . 19365 1 320 . 1 1 33 33 LYS N N 15 117.852 0.400 . 1 . . . A 33 LYS N . 19365 1 321 . 1 1 34 34 LYS H H 1 7.940 0.020 . 1 . . . A 34 LYS H . 19365 1 322 . 1 1 34 34 LYS HA H 1 4.012 0.020 . 1 . . . A 34 LYS HA . 19365 1 323 . 1 1 34 34 LYS HB2 H 1 1.979 0.020 . 1 . . . A 34 LYS HB2 . 19365 1 324 . 1 1 34 34 LYS HB3 H 1 1.928 0.020 . 1 . . . A 34 LYS HB3 . 19365 1 325 . 1 1 34 34 LYS HG2 H 1 1.534 0.020 . 1 . . . A 34 LYS HG2 . 19365 1 326 . 1 1 34 34 LYS HG3 H 1 1.381 0.020 . 1 . . . A 34 LYS HG3 . 19365 1 327 . 1 1 34 34 LYS HD2 H 1 1.696 0.020 . 2 . . . A 34 LYS HD2 . 19365 1 328 . 1 1 34 34 LYS HD3 H 1 1.650 0.020 . 2 . . . A 34 LYS HD3 . 19365 1 329 . 1 1 34 34 LYS HE2 H 1 2.992 0.020 . 1 . . . A 34 LYS HE2 . 19365 1 330 . 1 1 34 34 LYS HE3 H 1 2.992 0.020 . 1 . . . A 34 LYS HE3 . 19365 1 331 . 1 1 34 34 LYS CA C 13 58.962 0.400 . 1 . . . A 34 LYS CA . 19365 1 332 . 1 1 34 34 LYS CB C 13 32.139 0.400 . 1 . . . A 34 LYS CB . 19365 1 333 . 1 1 34 34 LYS CG C 13 24.369 0.400 . 1 . . . A 34 LYS CG . 19365 1 334 . 1 1 34 34 LYS CD C 13 29.050 0.400 . 1 . . . A 34 LYS CD . 19365 1 335 . 1 1 34 34 LYS CE C 13 36.418 0.400 . 1 . . . A 34 LYS CE . 19365 1 336 . 1 1 34 34 LYS N N 15 120.312 0.400 . 1 . . . A 34 LYS N . 19365 1 337 . 1 1 35 35 LEU H H 1 7.904 0.020 . 1 . . . A 35 LEU H . 19365 1 338 . 1 1 35 35 LEU HA H 1 4.135 0.020 . 1 . . . A 35 LEU HA . 19365 1 339 . 1 1 35 35 LEU HB2 H 1 1.817 0.020 . 1 . . . A 35 LEU HB2 . 19365 1 340 . 1 1 35 35 LEU HB3 H 1 2.113 0.020 . 1 . . . A 35 LEU HB3 . 19365 1 341 . 1 1 35 35 LEU HG H 1 1.893 0.020 . 1 . . . A 35 LEU HG . 19365 1 342 . 1 1 35 35 LEU HD11 H 1 0.974 0.020 . 1 . . . A 35 LEU HD11 . 19365 1 343 . 1 1 35 35 LEU HD12 H 1 0.974 0.020 . 1 . . . A 35 LEU HD12 . 19365 1 344 . 1 1 35 35 LEU HD13 H 1 0.974 0.020 . 1 . . . A 35 LEU HD13 . 19365 1 345 . 1 1 35 35 LEU HD21 H 1 0.962 0.020 . 1 . . . A 35 LEU HD21 . 19365 1 346 . 1 1 35 35 LEU HD22 H 1 0.962 0.020 . 1 . . . A 35 LEU HD22 . 19365 1 347 . 1 1 35 35 LEU HD23 H 1 0.962 0.020 . 1 . . . A 35 LEU HD23 . 19365 1 348 . 1 1 35 35 LEU CA C 13 57.427 0.400 . 1 . . . A 35 LEU CA . 19365 1 349 . 1 1 35 35 LEU CB C 13 40.642 0.400 . 1 . . . A 35 LEU CB . 19365 1 350 . 1 1 35 35 LEU CG C 13 26.320 0.400 . 1 . . . A 35 LEU CG . 19365 1 351 . 1 1 35 35 LEU CD1 C 13 25.513 0.400 . 1 . . . A 35 LEU CD1 . 19365 1 352 . 1 1 35 35 LEU CD2 C 13 24.475 0.400 . 1 . . . A 35 LEU CD2 . 19365 1 353 . 1 1 35 35 LEU N N 15 121.249 0.400 . 1 . . . A 35 LEU N . 19365 1 354 . 1 1 36 36 LEU H H 1 7.889 0.020 . 1 . . . A 36 LEU H . 19365 1 355 . 1 1 36 36 LEU HA H 1 4.120 0.020 . 1 . . . A 36 LEU HA . 19365 1 356 . 1 1 36 36 LEU HB2 H 1 1.782 0.020 . 1 . . . A 36 LEU HB2 . 19365 1 357 . 1 1 36 36 LEU HB3 H 1 1.627 0.020 . 1 . . . A 36 LEU HB3 . 19365 1 358 . 1 1 36 36 LEU HG H 1 1.889 0.020 . 1 . . . A 36 LEU HG . 19365 1 359 . 1 1 36 36 LEU HD11 H 1 0.848 0.020 . 1 . . . A 36 LEU HD11 . 19365 1 360 . 1 1 36 36 LEU HD12 H 1 0.848 0.020 . 1 . . . A 36 LEU HD12 . 19365 1 361 . 1 1 36 36 LEU HD13 H 1 0.848 0.020 . 1 . . . A 36 LEU HD13 . 19365 1 362 . 1 1 36 36 LEU HD21 H 1 0.898 0.020 . 1 . . . A 36 LEU HD21 . 19365 1 363 . 1 1 36 36 LEU HD22 H 1 0.898 0.020 . 1 . . . A 36 LEU HD22 . 19365 1 364 . 1 1 36 36 LEU HD23 H 1 0.898 0.020 . 1 . . . A 36 LEU HD23 . 19365 1 365 . 1 1 36 36 LEU CA C 13 56.215 0.400 . 1 . . . A 36 LEU CA . 19365 1 366 . 1 1 36 36 LEU CB C 13 40.640 0.400 . 1 . . . A 36 LEU CB . 19365 1 367 . 1 1 36 36 LEU CG C 13 26.282 0.400 . 1 . . . A 36 LEU CG . 19365 1 368 . 1 1 36 36 LEU CD1 C 13 24.884 0.400 . 1 . . . A 36 LEU CD1 . 19365 1 369 . 1 1 36 36 LEU CD2 C 13 21.589 0.400 . 1 . . . A 36 LEU CD2 . 19365 1 370 . 1 1 36 36 LEU N N 15 117.131 0.400 . 1 . . . A 36 LEU N . 19365 1 371 . 1 1 37 37 ALA H H 1 7.970 0.020 . 1 . . . A 37 ALA H . 19365 1 372 . 1 1 37 37 ALA HA H 1 4.214 0.020 . 1 . . . A 37 ALA HA . 19365 1 373 . 1 1 37 37 ALA HB1 H 1 1.497 0.020 . 1 . . . A 37 ALA HB1 . 19365 1 374 . 1 1 37 37 ALA HB2 H 1 1.497 0.020 . 1 . . . A 37 ALA HB2 . 19365 1 375 . 1 1 37 37 ALA HB3 H 1 1.497 0.020 . 1 . . . A 37 ALA HB3 . 19365 1 376 . 1 1 37 37 ALA CA C 13 53.148 0.400 . 1 . . . A 37 ALA CA . 19365 1 377 . 1 1 37 37 ALA CB C 13 17.492 0.400 . 1 . . . A 37 ALA CB . 19365 1 378 . 1 1 37 37 ALA N N 15 120.483 0.400 . 1 . . . A 37 ALA N . 19365 1 379 . 1 1 38 38 ALA H H 1 7.363 0.020 . 1 . . . A 38 ALA H . 19365 1 380 . 1 1 38 38 ALA HA H 1 4.276 0.020 . 1 . . . A 38 ALA HA . 19365 1 381 . 1 1 38 38 ALA HB1 H 1 1.491 0.020 . 1 . . . A 38 ALA HB1 . 19365 1 382 . 1 1 38 38 ALA HB2 H 1 1.491 0.020 . 1 . . . A 38 ALA HB2 . 19365 1 383 . 1 1 38 38 ALA HB3 H 1 1.491 0.020 . 1 . . . A 38 ALA HB3 . 19365 1 384 . 1 1 38 38 ALA CA C 13 52.154 0.400 . 1 . . . A 38 ALA CA . 19365 1 385 . 1 1 38 38 ALA CB C 13 18.077 0.400 . 1 . . . A 38 ALA CB . 19365 1 386 . 1 1 38 38 ALA N N 15 118.293 0.400 . 1 . . . A 38 ALA N . 19365 1 387 . 1 1 39 39 ALA H H 1 7.395 0.020 . 1 . . . A 39 ALA H . 19365 1 388 . 1 1 39 39 ALA HA H 1 4.518 0.020 . 1 . . . A 39 ALA HA . 19365 1 389 . 1 1 39 39 ALA HB1 H 1 1.212 0.020 . 1 . . . A 39 ALA HB1 . 19365 1 390 . 1 1 39 39 ALA HB2 H 1 1.212 0.020 . 1 . . . A 39 ALA HB2 . 19365 1 391 . 1 1 39 39 ALA HB3 H 1 1.212 0.020 . 1 . . . A 39 ALA HB3 . 19365 1 392 . 1 1 39 39 ALA CA C 13 49.935 0.400 . 1 . . . A 39 ALA CA . 19365 1 393 . 1 1 39 39 ALA CB C 13 16.949 0.400 . 1 . . . A 39 ALA CB . 19365 1 394 . 1 1 39 39 ALA N N 15 121.254 0.400 . 1 . . . A 39 ALA N . 19365 1 395 . 1 1 40 40 ASN H H 1 8.763 0.020 . 1 . . . A 40 ASN H . 19365 1 396 . 1 1 40 40 ASN HA H 1 4.940 0.020 . 1 . . . A 40 ASN HA . 19365 1 397 . 1 1 40 40 ASN HB2 H 1 2.821 0.020 . 2 . . . A 40 ASN HB2 . 19365 1 398 . 1 1 40 40 ASN HB3 H 1 2.821 0.020 . 2 . . . A 40 ASN HB3 . 19365 1 399 . 1 1 40 40 ASN HD21 H 1 7.508 0.020 . 1 . . . A 40 ASN HD21 . 19365 1 400 . 1 1 40 40 ASN HD22 H 1 6.851 0.020 . 1 . . . A 40 ASN HD22 . 19365 1 401 . 1 1 40 40 ASN CA C 13 53.048 0.400 . 1 . . . A 40 ASN CA . 19365 1 402 . 1 1 40 40 ASN CB C 13 39.671 0.400 . 1 . . . A 40 ASN CB . 19365 1 403 . 1 1 40 40 ASN N N 15 119.862 0.400 . 1 . . . A 40 ASN N . 19365 1 404 . 1 1 40 40 ASN ND2 N 15 112.653 0.400 . 1 . . . A 40 ASN ND2 . 19365 1 405 . 1 1 41 41 THR H H 1 7.694 0.020 . 1 . . . A 41 THR H . 19365 1 406 . 1 1 41 41 THR HA H 1 4.703 0.020 . 1 . . . A 41 THR HA . 19365 1 407 . 1 1 41 41 THR HB H 1 4.491 0.020 . 1 . . . A 41 THR HB . 19365 1 408 . 1 1 41 41 THR HG21 H 1 1.318 0.020 . 1 . . . A 41 THR HG21 . 19365 1 409 . 1 1 41 41 THR HG22 H 1 1.318 0.020 . 1 . . . A 41 THR HG22 . 19365 1 410 . 1 1 41 41 THR HG23 H 1 1.318 0.020 . 1 . . . A 41 THR HG23 . 19365 1 411 . 1 1 41 41 THR CA C 13 58.955 0.400 . 1 . . . A 41 THR CA . 19365 1 412 . 1 1 41 41 THR CB C 13 71.590 0.400 . 1 . . . A 41 THR CB . 19365 1 413 . 1 1 41 41 THR CG2 C 13 20.862 0.400 . 1 . . . A 41 THR CG2 . 19365 1 414 . 1 1 41 41 THR N N 15 108.589 0.400 . 1 . . . A 41 THR N . 19365 1 415 . 1 1 42 42 THR H H 1 9.330 0.020 . 1 . . . A 42 THR H . 19365 1 416 . 1 1 42 42 THR HA H 1 3.971 0.020 . 1 . . . A 42 THR HA . 19365 1 417 . 1 1 42 42 THR HB H 1 4.434 0.020 . 1 . . . A 42 THR HB . 19365 1 418 . 1 1 42 42 THR HG21 H 1 1.309 0.020 . 1 . . . A 42 THR HG21 . 19365 1 419 . 1 1 42 42 THR HG22 H 1 1.309 0.020 . 1 . . . A 42 THR HG22 . 19365 1 420 . 1 1 42 42 THR HG23 H 1 1.309 0.020 . 1 . . . A 42 THR HG23 . 19365 1 421 . 1 1 42 42 THR CA C 13 68.368 0.400 . 1 . . . A 42 THR CA . 19365 1 422 . 1 1 42 42 THR CB C 13 65.706 0.400 . 1 . . . A 42 THR CB . 19365 1 423 . 1 1 42 42 THR CG2 C 13 21.991 0.400 . 1 . . . A 42 THR CG2 . 19365 1 424 . 1 1 42 42 THR N N 15 119.270 0.400 . 1 . . . A 42 THR N . 19365 1 425 . 1 1 43 43 PRO HA H 1 4.405 0.020 . 1 . . . A 43 PRO HA . 19365 1 426 . 1 1 43 43 PRO HB2 H 1 1.823 0.020 . 1 . . . A 43 PRO HB2 . 19365 1 427 . 1 1 43 43 PRO HB3 H 1 2.364 0.020 . 1 . . . A 43 PRO HB3 . 19365 1 428 . 1 1 43 43 PRO HG2 H 1 2.131 0.020 . 1 . . . A 43 PRO HG2 . 19365 1 429 . 1 1 43 43 PRO HG3 H 1 1.990 0.020 . 1 . . . A 43 PRO HG3 . 19365 1 430 . 1 1 43 43 PRO HD2 H 1 3.868 0.020 . 1 . . . A 43 PRO HD2 . 19365 1 431 . 1 1 43 43 PRO HD3 H 1 3.755 0.020 . 1 . . . A 43 PRO HD3 . 19365 1 432 . 1 1 43 43 PRO CA C 13 65.149 0.400 . 1 . . . A 43 PRO CA . 19365 1 433 . 1 1 43 43 PRO CB C 13 30.185 0.400 . 1 . . . A 43 PRO CB . 19365 1 434 . 1 1 43 43 PRO CG C 13 27.518 0.400 . 1 . . . A 43 PRO CG . 19365 1 435 . 1 1 43 43 PRO CD C 13 49.117 0.400 . 1 . . . A 43 PRO CD . 19365 1 436 . 1 1 44 44 ASP H H 1 7.353 0.020 . 1 . . . A 44 ASP H . 19365 1 437 . 1 1 44 44 ASP HA H 1 4.615 0.020 . 1 . . . A 44 ASP HA . 19365 1 438 . 1 1 44 44 ASP HB2 H 1 2.730 0.020 . 1 . . . A 44 ASP HB2 . 19365 1 439 . 1 1 44 44 ASP HB3 H 1 2.573 0.020 . 1 . . . A 44 ASP HB3 . 19365 1 440 . 1 1 44 44 ASP CA C 13 56.507 0.400 . 1 . . . A 44 ASP CA . 19365 1 441 . 1 1 44 44 ASP CB C 13 39.964 0.400 . 1 . . . A 44 ASP CB . 19365 1 442 . 1 1 44 44 ASP N N 15 117.439 0.400 . 1 . . . A 44 ASP N . 19365 1 443 . 1 1 45 45 ARG H H 1 8.466 0.020 . 1 . . . A 45 ARG H . 19365 1 444 . 1 1 45 45 ARG HA H 1 3.831 0.020 . 1 . . . A 45 ARG HA . 19365 1 445 . 1 1 45 45 ARG HB2 H 1 1.513 0.020 . 1 . . . A 45 ARG HB2 . 19365 1 446 . 1 1 45 45 ARG HB3 H 1 1.298 0.020 . 1 . . . A 45 ARG HB3 . 19365 1 447 . 1 1 45 45 ARG HG2 H 1 1.608 0.020 . 1 . . . A 45 ARG HG2 . 19365 1 448 . 1 1 45 45 ARG HG3 H 1 1.526 0.020 . 1 . . . A 45 ARG HG3 . 19365 1 449 . 1 1 45 45 ARG HD2 H 1 3.028 0.020 . 2 . . . A 45 ARG HD2 . 19365 1 450 . 1 1 45 45 ARG HD3 H 1 2.870 0.020 . 2 . . . A 45 ARG HD3 . 19365 1 451 . 1 1 45 45 ARG HE H 1 7.055 0.020 . 1 . . . A 45 ARG HE . 19365 1 452 . 1 1 45 45 ARG HH21 H 1 6.758 0.020 . 1 . . . A 45 ARG HH21 . 19365 1 453 . 1 1 45 45 ARG HH22 H 1 6.758 0.020 . 1 . . . A 45 ARG HH22 . 19365 1 454 . 1 1 45 45 ARG CA C 13 59.464 0.400 . 1 . . . A 45 ARG CA . 19365 1 455 . 1 1 45 45 ARG CB C 13 28.530 0.400 . 1 . . . A 45 ARG CB . 19365 1 456 . 1 1 45 45 ARG CG C 13 28.740 0.400 . 1 . . . A 45 ARG CG . 19365 1 457 . 1 1 45 45 ARG CD C 13 43.073 0.400 . 1 . . . A 45 ARG CD . 19365 1 458 . 1 1 45 45 ARG N N 15 122.345 0.400 . 1 . . . A 45 ARG N . 19365 1 459 . 1 1 45 45 ARG NE N 15 85.818 0.400 . 1 . . . A 45 ARG NE . 19365 1 460 . 1 1 45 45 ARG NH2 N 15 72.213 0.400 . 1 . . . A 45 ARG NH2 . 19365 1 461 . 1 1 46 46 GLN H H 1 8.214 0.020 . 1 . . . A 46 GLN H . 19365 1 462 . 1 1 46 46 GLN HA H 1 3.764 0.020 . 1 . . . A 46 GLN HA . 19365 1 463 . 1 1 46 46 GLN HB2 H 1 2.162 0.020 . 1 . . . A 46 GLN HB2 . 19365 1 464 . 1 1 46 46 GLN HB3 H 1 1.995 0.020 . 1 . . . A 46 GLN HB3 . 19365 1 465 . 1 1 46 46 GLN HG2 H 1 2.488 0.020 . 2 . . . A 46 GLN HG2 . 19365 1 466 . 1 1 46 46 GLN HG3 H 1 2.488 0.020 . 2 . . . A 46 GLN HG3 . 19365 1 467 . 1 1 46 46 GLN HE21 H 1 7.494 0.020 . 2 . . . A 46 GLN HE21 . 19365 1 468 . 1 1 46 46 GLN HE22 H 1 6.801 0.020 . 2 . . . A 46 GLN HE22 . 19365 1 469 . 1 1 46 46 GLN CA C 13 58.848 0.400 . 1 . . . A 46 GLN CA . 19365 1 470 . 1 1 46 46 GLN CB C 13 27.261 0.400 . 1 . . . A 46 GLN CB . 19365 1 471 . 1 1 46 46 GLN CG C 13 33.453 0.400 . 1 . . . A 46 GLN CG . 19365 1 472 . 1 1 46 46 GLN N N 15 120.475 0.400 . 1 . . . A 46 GLN N . 19365 1 473 . 1 1 46 46 GLN NE2 N 15 110.684 0.400 . 1 . . . A 46 GLN NE2 . 19365 1 474 . 1 1 47 47 ALA H H 1 8.150 0.020 . 1 . . . A 47 ALA H . 19365 1 475 . 1 1 47 47 ALA HA H 1 4.272 0.020 . 1 . . . A 47 ALA HA . 19365 1 476 . 1 1 47 47 ALA HB1 H 1 1.580 0.020 . 1 . . . A 47 ALA HB1 . 19365 1 477 . 1 1 47 47 ALA HB2 H 1 1.580 0.020 . 1 . . . A 47 ALA HB2 . 19365 1 478 . 1 1 47 47 ALA HB3 H 1 1.580 0.020 . 1 . . . A 47 ALA HB3 . 19365 1 479 . 1 1 47 47 ALA CA C 13 54.427 0.400 . 1 . . . A 47 ALA CA . 19365 1 480 . 1 1 47 47 ALA CB C 13 17.337 0.400 . 1 . . . A 47 ALA CB . 19365 1 481 . 1 1 47 47 ALA N N 15 122.392 0.400 . 1 . . . A 47 ALA N . 19365 1 482 . 1 1 48 48 ALA H H 1 8.633 0.020 . 1 . . . A 48 ALA H . 19365 1 483 . 1 1 48 48 ALA HA H 1 3.790 0.020 . 1 . . . A 48 ALA HA . 19365 1 484 . 1 1 48 48 ALA HB1 H 1 1.418 0.020 . 1 . . . A 48 ALA HB1 . 19365 1 485 . 1 1 48 48 ALA HB2 H 1 1.418 0.020 . 1 . . . A 48 ALA HB2 . 19365 1 486 . 1 1 48 48 ALA HB3 H 1 1.418 0.020 . 1 . . . A 48 ALA HB3 . 19365 1 487 . 1 1 48 48 ALA CA C 13 55.381 0.400 . 1 . . . A 48 ALA CA . 19365 1 488 . 1 1 48 48 ALA CB C 13 16.262 0.400 . 1 . . . A 48 ALA CB . 19365 1 489 . 1 1 48 48 ALA N N 15 121.429 0.400 . 1 . . . A 48 ALA N . 19365 1 490 . 1 1 49 49 CYS H H 1 7.645 0.020 . 1 . . . A 49 CYS H . 19365 1 491 . 1 1 49 49 CYS HA H 1 4.120 0.020 . 1 . . . A 49 CYS HA . 19365 1 492 . 1 1 49 49 CYS HB2 H 1 2.455 0.020 . 1 . . . A 49 CYS HB2 . 19365 1 493 . 1 1 49 49 CYS HB3 H 1 3.506 0.020 . 1 . . . A 49 CYS HB3 . 19365 1 494 . 1 1 49 49 CYS CA C 13 59.720 0.400 . 1 . . . A 49 CYS CA . 19365 1 495 . 1 1 49 49 CYS CB C 13 35.772 0.400 . 1 . . . A 49 CYS CB . 19365 1 496 . 1 1 49 49 CYS N N 15 117.491 0.400 . 1 . . . A 49 CYS N . 19365 1 497 . 1 1 50 50 ASN H H 1 8.265 0.020 . 1 . . . A 50 ASN H . 19365 1 498 . 1 1 50 50 ASN HA H 1 4.485 0.020 . 1 . . . A 50 ASN HA . 19365 1 499 . 1 1 50 50 ASN HB2 H 1 2.854 0.020 . 1 . . . A 50 ASN HB2 . 19365 1 500 . 1 1 50 50 ASN HB3 H 1 2.769 0.020 . 1 . . . A 50 ASN HB3 . 19365 1 501 . 1 1 50 50 ASN HD21 H 1 7.273 0.020 . 1 . . . A 50 ASN HD21 . 19365 1 502 . 1 1 50 50 ASN HD22 H 1 7.251 0.020 . 1 . . . A 50 ASN HD22 . 19365 1 503 . 1 1 50 50 ASN CA C 13 56.093 0.400 . 1 . . . A 50 ASN CA . 19365 1 504 . 1 1 50 50 ASN CB C 13 38.101 0.400 . 1 . . . A 50 ASN CB . 19365 1 505 . 1 1 50 50 ASN N N 15 120.998 0.400 . 1 . . . A 50 ASN N . 19365 1 506 . 1 1 50 50 ASN ND2 N 15 114.812 0.400 . 1 . . . A 50 ASN ND2 . 19365 1 507 . 1 1 51 51 CYS H H 1 8.752 0.020 . 1 . . . A 51 CYS H . 19365 1 508 . 1 1 51 51 CYS HA H 1 4.595 0.020 . 1 . . . A 51 CYS HA . 19365 1 509 . 1 1 51 51 CYS HB2 H 1 3.056 0.020 . 1 . . . A 51 CYS HB2 . 19365 1 510 . 1 1 51 51 CYS HB3 H 1 2.947 0.020 . 1 . . . A 51 CYS HB3 . 19365 1 511 . 1 1 51 51 CYS CA C 13 55.630 0.400 . 1 . . . A 51 CYS CA . 19365 1 512 . 1 1 51 51 CYS CB C 13 35.660 0.400 . 1 . . . A 51 CYS CB . 19365 1 513 . 1 1 51 51 CYS N N 15 119.531 0.400 . 1 . . . A 51 CYS N . 19365 1 514 . 1 1 52 52 LEU H H 1 8.576 0.020 . 1 . . . A 52 LEU H . 19365 1 515 . 1 1 52 52 LEU HA H 1 4.016 0.020 . 1 . . . A 52 LEU HA . 19365 1 516 . 1 1 52 52 LEU HB2 H 1 2.220 0.020 . 1 . . . A 52 LEU HB2 . 19365 1 517 . 1 1 52 52 LEU HB3 H 1 1.429 0.020 . 1 . . . A 52 LEU HB3 . 19365 1 518 . 1 1 52 52 LEU HG H 1 1.755 0.020 . 1 . . . A 52 LEU HG . 19365 1 519 . 1 1 52 52 LEU HD11 H 1 0.976 0.020 . 1 . . . A 52 LEU HD11 . 19365 1 520 . 1 1 52 52 LEU HD12 H 1 0.976 0.020 . 1 . . . A 52 LEU HD12 . 19365 1 521 . 1 1 52 52 LEU HD13 H 1 0.976 0.020 . 1 . . . A 52 LEU HD13 . 19365 1 522 . 1 1 52 52 LEU HD21 H 1 0.788 0.020 . 1 . . . A 52 LEU HD21 . 19365 1 523 . 1 1 52 52 LEU HD22 H 1 0.788 0.020 . 1 . . . A 52 LEU HD22 . 19365 1 524 . 1 1 52 52 LEU HD23 H 1 0.788 0.020 . 1 . . . A 52 LEU HD23 . 19365 1 525 . 1 1 52 52 LEU CA C 13 57.636 0.400 . 1 . . . A 52 LEU CA . 19365 1 526 . 1 1 52 52 LEU CB C 13 41.128 0.400 . 1 . . . A 52 LEU CB . 19365 1 527 . 1 1 52 52 LEU CG C 13 26.627 0.400 . 1 . . . A 52 LEU CG . 19365 1 528 . 1 1 52 52 LEU CD1 C 13 24.573 0.400 . 1 . . . A 52 LEU CD1 . 19365 1 529 . 1 1 52 52 LEU CD2 C 13 22.848 0.400 . 1 . . . A 52 LEU CD2 . 19365 1 530 . 1 1 52 52 LEU N N 15 123.746 0.400 . 1 . . . A 52 LEU N . 19365 1 531 . 1 1 53 53 LYS H H 1 8.398 0.020 . 1 . . . A 53 LYS H . 19365 1 532 . 1 1 53 53 LYS HA H 1 4.044 0.020 . 1 . . . A 53 LYS HA . 19365 1 533 . 1 1 53 53 LYS HB2 H 1 1.985 0.020 . 1 . . . A 53 LYS HB2 . 19365 1 534 . 1 1 53 53 LYS HB3 H 1 2.051 0.020 . 1 . . . A 53 LYS HB3 . 19365 1 535 . 1 1 53 53 LYS HG2 H 1 1.760 0.020 . 1 . . . A 53 LYS HG2 . 19365 1 536 . 1 1 53 53 LYS HG3 H 1 1.374 0.020 . 1 . . . A 53 LYS HG3 . 19365 1 537 . 1 1 53 53 LYS HD2 H 1 1.923 0.020 . 2 . . . A 53 LYS HD2 . 19365 1 538 . 1 1 53 53 LYS HD3 H 1 1.753 0.020 . 2 . . . A 53 LYS HD3 . 19365 1 539 . 1 1 53 53 LYS HE2 H 1 3.047 0.020 . 1 . . . A 53 LYS HE2 . 19365 1 540 . 1 1 53 53 LYS HE3 H 1 3.047 0.020 . 1 . . . A 53 LYS HE3 . 19365 1 541 . 1 1 53 53 LYS CA C 13 58.965 0.400 . 1 . . . A 53 LYS CA . 19365 1 542 . 1 1 53 53 LYS CB C 13 32.663 0.400 . 1 . . . A 53 LYS CB . 19365 1 543 . 1 1 53 53 LYS CG C 13 23.873 0.400 . 1 . . . A 53 LYS CG . 19365 1 544 . 1 1 53 53 LYS CD C 13 29.630 0.400 . 1 . . . A 53 LYS CD . 19365 1 545 . 1 1 53 53 LYS CE C 13 36.547 0.400 . 1 . . . A 53 LYS CE . 19365 1 546 . 1 1 53 53 LYS N N 15 121.121 0.400 . 1 . . . A 53 LYS N . 19365 1 547 . 1 1 54 54 SER H H 1 7.972 0.020 . 1 . . . A 54 SER H . 19365 1 548 . 1 1 54 54 SER HA H 1 4.257 0.020 . 1 . . . A 54 SER HA . 19365 1 549 . 1 1 54 54 SER HB2 H 1 4.024 0.020 . 2 . . . A 54 SER HB2 . 19365 1 550 . 1 1 54 54 SER HB3 H 1 4.024 0.020 . 2 . . . A 54 SER HB3 . 19365 1 551 . 1 1 54 54 SER CA C 13 60.520 0.400 . 1 . . . A 54 SER CA . 19365 1 552 . 1 1 54 54 SER CB C 13 62.229 0.400 . 1 . . . A 54 SER CB . 19365 1 553 . 1 1 54 54 SER N N 15 114.194 0.400 . 1 . . . A 54 SER N . 19365 1 554 . 1 1 55 55 ALA H H 1 8.317 0.020 . 1 . . . A 55 ALA H . 19365 1 555 . 1 1 55 55 ALA HA H 1 4.138 0.020 . 1 . . . A 55 ALA HA . 19365 1 556 . 1 1 55 55 ALA HB1 H 1 1.409 0.020 . 1 . . . A 55 ALA HB1 . 19365 1 557 . 1 1 55 55 ALA HB2 H 1 1.409 0.020 . 1 . . . A 55 ALA HB2 . 19365 1 558 . 1 1 55 55 ALA HB3 H 1 1.409 0.020 . 1 . . . A 55 ALA HB3 . 19365 1 559 . 1 1 55 55 ALA CA C 13 54.118 0.400 . 1 . . . A 55 ALA CA . 19365 1 560 . 1 1 55 55 ALA CB C 13 16.630 0.400 . 1 . . . A 55 ALA CB . 19365 1 561 . 1 1 55 55 ALA N N 15 124.997 0.400 . 1 . . . A 55 ALA N . 19365 1 562 . 1 1 56 56 ALA H H 1 8.419 0.020 . 1 . . . A 56 ALA H . 19365 1 563 . 1 1 56 56 ALA HA H 1 3.909 0.020 . 1 . . . A 56 ALA HA . 19365 1 564 . 1 1 56 56 ALA HB1 H 1 1.329 0.020 . 1 . . . A 56 ALA HB1 . 19365 1 565 . 1 1 56 56 ALA HB2 H 1 1.329 0.020 . 1 . . . A 56 ALA HB2 . 19365 1 566 . 1 1 56 56 ALA HB3 H 1 1.329 0.020 . 1 . . . A 56 ALA HB3 . 19365 1 567 . 1 1 56 56 ALA CA C 13 54.220 0.400 . 1 . . . A 56 ALA CA . 19365 1 568 . 1 1 56 56 ALA CB C 13 16.183 0.400 . 1 . . . A 56 ALA CB . 19365 1 569 . 1 1 56 56 ALA N N 15 119.526 0.400 . 1 . . . A 56 ALA N . 19365 1 570 . 1 1 57 57 GLY H H 1 7.766 0.020 . 1 . . . A 57 GLY H . 19365 1 571 . 1 1 57 57 GLY HA2 H 1 3.962 0.020 . 2 . . . A 57 GLY HA2 . 19365 1 572 . 1 1 57 57 GLY HA3 H 1 3.962 0.020 . 2 . . . A 57 GLY HA3 . 19365 1 573 . 1 1 57 57 GLY CA C 13 45.331 0.400 . 1 . . . A 57 GLY CA . 19365 1 574 . 1 1 57 57 GLY N N 15 102.346 0.400 . 1 . . . A 57 GLY N . 19365 1 575 . 1 1 58 58 SER H H 1 7.644 0.020 . 1 . . . A 58 SER H . 19365 1 576 . 1 1 58 58 SER HA H 1 4.570 0.020 . 1 . . . A 58 SER HA . 19365 1 577 . 1 1 58 58 SER HB2 H 1 3.985 0.020 . 2 . . . A 58 SER HB2 . 19365 1 578 . 1 1 58 58 SER HB3 H 1 3.985 0.020 . 2 . . . A 58 SER HB3 . 19365 1 579 . 1 1 58 58 SER CA C 13 58.053 0.400 . 1 . . . A 58 SER CA . 19365 1 580 . 1 1 58 58 SER CB C 13 63.586 0.400 . 1 . . . A 58 SER CB . 19365 1 581 . 1 1 58 58 SER N N 15 114.542 0.400 . 1 . . . A 58 SER N . 19365 1 582 . 1 1 59 59 ILE H H 1 7.217 0.020 . 1 . . . A 59 ILE H . 19365 1 583 . 1 1 59 59 ILE HA H 1 4.135 0.020 . 1 . . . A 59 ILE HA . 19365 1 584 . 1 1 59 59 ILE HB H 1 1.859 0.020 . 1 . . . A 59 ILE HB . 19365 1 585 . 1 1 59 59 ILE HG12 H 1 1.807 0.020 . 1 . . . A 59 ILE HG12 . 19365 1 586 . 1 1 59 59 ILE HG13 H 1 0.950 0.020 . 1 . . . A 59 ILE HG13 . 19365 1 587 . 1 1 59 59 ILE HG21 H 1 0.721 0.020 . 1 . . . A 59 ILE HG21 . 19365 1 588 . 1 1 59 59 ILE HG22 H 1 0.721 0.020 . 1 . . . A 59 ILE HG22 . 19365 1 589 . 1 1 59 59 ILE HG23 H 1 0.721 0.020 . 1 . . . A 59 ILE HG23 . 19365 1 590 . 1 1 59 59 ILE HD11 H 1 0.702 0.020 . 1 . . . A 59 ILE HD11 . 19365 1 591 . 1 1 59 59 ILE HD12 H 1 0.702 0.020 . 1 . . . A 59 ILE HD12 . 19365 1 592 . 1 1 59 59 ILE HD13 H 1 0.702 0.020 . 1 . . . A 59 ILE HD13 . 19365 1 593 . 1 1 59 59 ILE CA C 13 60.213 0.400 . 1 . . . A 59 ILE CA . 19365 1 594 . 1 1 59 59 ILE CB C 13 37.490 0.400 . 1 . . . A 59 ILE CB . 19365 1 595 . 1 1 59 59 ILE CG1 C 13 26.239 0.400 . 1 . . . A 59 ILE CG1 . 19365 1 596 . 1 1 59 59 ILE CG2 C 13 16.915 0.400 . 1 . . . A 59 ILE CG2 . 19365 1 597 . 1 1 59 59 ILE CD1 C 13 13.307 0.400 . 1 . . . A 59 ILE CD1 . 19365 1 598 . 1 1 59 59 ILE N N 15 123.033 0.400 . 1 . . . A 59 ILE N . 19365 1 599 . 1 1 60 60 THR H H 1 8.316 0.020 . 1 . . . A 60 THR H . 19365 1 600 . 1 1 60 60 THR HA H 1 4.042 0.020 . 1 . . . A 60 THR HA . 19365 1 601 . 1 1 60 60 THR HB H 1 4.149 0.020 . 1 . . . A 60 THR HB . 19365 1 602 . 1 1 60 60 THR HG1 H 1 4.748 0.020 . 1 . . . A 60 THR HG1 . 19365 1 603 . 1 1 60 60 THR HG21 H 1 1.302 0.020 . 1 . . . A 60 THR HG21 . 19365 1 604 . 1 1 60 60 THR HG22 H 1 1.302 0.020 . 1 . . . A 60 THR HG22 . 19365 1 605 . 1 1 60 60 THR HG23 H 1 1.302 0.020 . 1 . . . A 60 THR HG23 . 19365 1 606 . 1 1 60 60 THR CA C 13 64.017 0.400 . 1 . . . A 60 THR CA . 19365 1 607 . 1 1 60 60 THR CB C 13 68.029 0.400 . 1 . . . A 60 THR CB . 19365 1 608 . 1 1 60 60 THR CG2 C 13 21.369 0.400 . 1 . . . A 60 THR CG2 . 19365 1 609 . 1 1 60 60 THR N N 15 123.206 0.400 . 1 . . . A 60 THR N . 19365 1 610 . 1 1 61 61 LYS H H 1 8.363 0.020 . 1 . . . A 61 LYS H . 19365 1 611 . 1 1 61 61 LYS HA H 1 4.245 0.020 . 1 . . . A 61 LYS HA . 19365 1 612 . 1 1 61 61 LYS HB2 H 1 1.743 0.020 . 1 . . . A 61 LYS HB2 . 19365 1 613 . 1 1 61 61 LYS HB3 H 1 2.058 0.020 . 1 . . . A 61 LYS HB3 . 19365 1 614 . 1 1 61 61 LYS HG2 H 1 1.453 0.020 . 1 . . . A 61 LYS HG2 . 19365 1 615 . 1 1 61 61 LYS HG3 H 1 1.385 0.020 . 1 . . . A 61 LYS HG3 . 19365 1 616 . 1 1 61 61 LYS HD2 H 1 1.723 0.020 . 1 . . . A 61 LYS HD2 . 19365 1 617 . 1 1 61 61 LYS HD3 H 1 1.723 0.020 . 1 . . . A 61 LYS HD3 . 19365 1 618 . 1 1 61 61 LYS HE2 H 1 3.022 0.020 . 1 . . . A 61 LYS HE2 . 19365 1 619 . 1 1 61 61 LYS HE3 H 1 3.022 0.020 . 1 . . . A 61 LYS HE3 . 19365 1 620 . 1 1 61 61 LYS CA C 13 54.976 0.400 . 1 . . . A 61 LYS CA . 19365 1 621 . 1 1 61 61 LYS CB C 13 29.834 0.400 . 1 . . . A 61 LYS CB . 19365 1 622 . 1 1 61 61 LYS CG C 13 24.445 0.400 . 1 . . . A 61 LYS CG . 19365 1 623 . 1 1 61 61 LYS CD C 13 29.429 0.400 . 1 . . . A 61 LYS CD . 19365 1 624 . 1 1 61 61 LYS CE C 13 38.449 0.400 . 1 . . . A 61 LYS CE . 19365 1 625 . 1 1 61 61 LYS N N 15 120.529 0.400 . 1 . . . A 61 LYS N . 19365 1 626 . 1 1 62 62 LEU H H 1 7.281 0.020 . 1 . . . A 62 LEU H . 19365 1 627 . 1 1 62 62 LEU HA H 1 3.851 0.020 . 1 . . . A 62 LEU HA . 19365 1 628 . 1 1 62 62 LEU HB2 H 1 1.632 0.020 . 1 . . . A 62 LEU HB2 . 19365 1 629 . 1 1 62 62 LEU HB3 H 1 1.743 0.020 . 1 . . . A 62 LEU HB3 . 19365 1 630 . 1 1 62 62 LEU HG H 1 1.351 0.020 . 1 . . . A 62 LEU HG . 19365 1 631 . 1 1 62 62 LEU HD11 H 1 0.971 0.020 . 2 . . . A 62 LEU HD11 . 19365 1 632 . 1 1 62 62 LEU HD12 H 1 0.971 0.020 . 2 . . . A 62 LEU HD12 . 19365 1 633 . 1 1 62 62 LEU HD13 H 1 0.971 0.020 . 2 . . . A 62 LEU HD13 . 19365 1 634 . 1 1 62 62 LEU HD21 H 1 0.971 0.020 . 2 . . . A 62 LEU HD21 . 19365 1 635 . 1 1 62 62 LEU HD22 H 1 0.971 0.020 . 2 . . . A 62 LEU HD22 . 19365 1 636 . 1 1 62 62 LEU HD23 H 1 0.971 0.020 . 2 . . . A 62 LEU HD23 . 19365 1 637 . 1 1 62 62 LEU CA C 13 55.417 0.400 . 1 . . . A 62 LEU CA . 19365 1 638 . 1 1 62 62 LEU CB C 13 41.890 0.400 . 1 . . . A 62 LEU CB . 19365 1 639 . 1 1 62 62 LEU CG C 13 25.551 0.400 . 1 . . . A 62 LEU CG . 19365 1 640 . 1 1 62 62 LEU CD1 C 13 23.772 0.400 . 1 . . . A 62 LEU CD1 . 19365 1 641 . 1 1 62 62 LEU CD2 C 13 25.497 0.400 . 1 . . . A 62 LEU CD2 . 19365 1 642 . 1 1 62 62 LEU N N 15 120.294 0.400 . 1 . . . A 62 LEU N . 19365 1 643 . 1 1 63 63 ASN H H 1 9.140 0.020 . 1 . . . A 63 ASN H . 19365 1 644 . 1 1 63 63 ASN HA H 1 4.911 0.020 . 1 . . . A 63 ASN HA . 19365 1 645 . 1 1 63 63 ASN HB2 H 1 2.349 0.020 . 1 . . . A 63 ASN HB2 . 19365 1 646 . 1 1 63 63 ASN HB3 H 1 2.634 0.020 . 1 . . . A 63 ASN HB3 . 19365 1 647 . 1 1 63 63 ASN HD21 H 1 7.671 0.020 . 1 . . . A 63 ASN HD21 . 19365 1 648 . 1 1 63 63 ASN HD22 H 1 6.989 0.020 . 1 . . . A 63 ASN HD22 . 19365 1 649 . 1 1 63 63 ASN CA C 13 51.736 0.400 . 1 . . . A 63 ASN CA . 19365 1 650 . 1 1 63 63 ASN CB C 13 37.757 0.400 . 1 . . . A 63 ASN CB . 19365 1 651 . 1 1 63 63 ASN N N 15 127.060 0.400 . 1 . . . A 63 ASN N . 19365 1 652 . 1 1 63 63 ASN ND2 N 15 113.425 0.400 . 1 . . . A 63 ASN ND2 . 19365 1 653 . 1 1 64 64 THR H H 1 8.591 0.020 . 1 . . . A 64 THR H . 19365 1 654 . 1 1 64 64 THR HA H 1 3.858 0.020 . 1 . . . A 64 THR HA . 19365 1 655 . 1 1 64 64 THR HB H 1 4.283 0.020 . 1 . . . A 64 THR HB . 19365 1 656 . 1 1 64 64 THR HG21 H 1 1.324 0.020 . 1 . . . A 64 THR HG21 . 19365 1 657 . 1 1 64 64 THR HG22 H 1 1.324 0.020 . 1 . . . A 64 THR HG22 . 19365 1 658 . 1 1 64 64 THR HG23 H 1 1.324 0.020 . 1 . . . A 64 THR HG23 . 19365 1 659 . 1 1 64 64 THR CA C 13 64.785 0.400 . 1 . . . A 64 THR CA . 19365 1 660 . 1 1 64 64 THR CB C 13 67.348 0.400 . 1 . . . A 64 THR CB . 19365 1 661 . 1 1 64 64 THR CG2 C 13 21.437 0.400 . 1 . . . A 64 THR CG2 . 19365 1 662 . 1 1 64 64 THR N N 15 120.092 0.400 . 1 . . . A 64 THR N . 19365 1 663 . 1 1 65 65 ASN H H 1 8.214 0.020 . 1 . . . A 65 ASN H . 19365 1 664 . 1 1 65 65 ASN HA H 1 4.528 0.020 . 1 . . . A 65 ASN HA . 19365 1 665 . 1 1 65 65 ASN HB2 H 1 2.965 0.020 . 1 . . . A 65 ASN HB2 . 19365 1 666 . 1 1 65 65 ASN HB3 H 1 2.868 0.020 . 1 . . . A 65 ASN HB3 . 19365 1 667 . 1 1 65 65 ASN HD21 H 1 7.642 0.020 . 1 . . . A 65 ASN HD21 . 19365 1 668 . 1 1 65 65 ASN HD22 H 1 7.035 0.020 . 1 . . . A 65 ASN HD22 . 19365 1 669 . 1 1 65 65 ASN CA C 13 55.665 0.400 . 1 . . . A 65 ASN CA . 19365 1 670 . 1 1 65 65 ASN CB C 13 36.803 0.400 . 1 . . . A 65 ASN CB . 19365 1 671 . 1 1 65 65 ASN N N 15 122.671 0.400 . 1 . . . A 65 ASN N . 19365 1 672 . 1 1 65 65 ASN ND2 N 15 113.228 0.400 . 1 . . . A 65 ASN ND2 . 19365 1 673 . 1 1 66 66 ASN H H 1 8.554 0.020 . 1 . . . A 66 ASN H . 19365 1 674 . 1 1 66 66 ASN HA H 1 4.363 0.020 . 1 . . . A 66 ASN HA . 19365 1 675 . 1 1 66 66 ASN HB2 H 1 2.426 0.020 . 1 . . . A 66 ASN HB2 . 19365 1 676 . 1 1 66 66 ASN HB3 H 1 1.555 0.020 . 1 . . . A 66 ASN HB3 . 19365 1 677 . 1 1 66 66 ASN HD21 H 1 7.137 0.020 . 1 . . . A 66 ASN HD21 . 19365 1 678 . 1 1 66 66 ASN HD22 H 1 6.853 0.020 . 1 . . . A 66 ASN HD22 . 19365 1 679 . 1 1 66 66 ASN CA C 13 54.303 0.400 . 1 . . . A 66 ASN CA . 19365 1 680 . 1 1 66 66 ASN CB C 13 34.749 0.400 . 1 . . . A 66 ASN CB . 19365 1 681 . 1 1 66 66 ASN N N 15 123.244 0.400 . 1 . . . A 66 ASN N . 19365 1 682 . 1 1 66 66 ASN ND2 N 15 108.962 0.400 . 1 . . . A 66 ASN ND2 . 19365 1 683 . 1 1 67 67 ALA H H 1 8.247 0.020 . 1 . . . A 67 ALA H . 19365 1 684 . 1 1 67 67 ALA HA H 1 3.915 0.020 . 1 . . . A 67 ALA HA . 19365 1 685 . 1 1 67 67 ALA HB1 H 1 1.496 0.020 . 1 . . . A 67 ALA HB1 . 19365 1 686 . 1 1 67 67 ALA HB2 H 1 1.496 0.020 . 1 . . . A 67 ALA HB2 . 19365 1 687 . 1 1 67 67 ALA HB3 H 1 1.496 0.020 . 1 . . . A 67 ALA HB3 . 19365 1 688 . 1 1 67 67 ALA CA C 13 55.051 0.400 . 1 . . . A 67 ALA CA . 19365 1 689 . 1 1 67 67 ALA CB C 13 16.949 0.400 . 1 . . . A 67 ALA CB . 19365 1 690 . 1 1 67 67 ALA N N 15 122.056 0.400 . 1 . . . A 67 ALA N . 19365 1 691 . 1 1 68 68 ALA H H 1 7.729 0.020 . 1 . . . A 68 ALA H . 19365 1 692 . 1 1 68 68 ALA HA H 1 4.289 0.020 . 1 . . . A 68 ALA HA . 19365 1 693 . 1 1 68 68 ALA HB1 H 1 1.601 0.020 . 1 . . . A 68 ALA HB1 . 19365 1 694 . 1 1 68 68 ALA HB2 H 1 1.601 0.020 . 1 . . . A 68 ALA HB2 . 19365 1 695 . 1 1 68 68 ALA HB3 H 1 1.601 0.020 . 1 . . . A 68 ALA HB3 . 19365 1 696 . 1 1 68 68 ALA CA C 13 53.535 0.400 . 1 . . . A 68 ALA CA . 19365 1 697 . 1 1 68 68 ALA CB C 13 17.509 0.400 . 1 . . . A 68 ALA CB . 19365 1 698 . 1 1 68 68 ALA N N 15 117.452 0.400 . 1 . . . A 68 ALA N . 19365 1 699 . 1 1 69 69 ALA H H 1 7.793 0.020 . 1 . . . A 69 ALA H . 19365 1 700 . 1 1 69 69 ALA HA H 1 4.367 0.020 . 1 . . . A 69 ALA HA . 19365 1 701 . 1 1 69 69 ALA HB1 H 1 1.603 0.020 . 1 . . . A 69 ALA HB1 . 19365 1 702 . 1 1 69 69 ALA HB2 H 1 1.603 0.020 . 1 . . . A 69 ALA HB2 . 19365 1 703 . 1 1 69 69 ALA HB3 H 1 1.603 0.020 . 1 . . . A 69 ALA HB3 . 19365 1 704 . 1 1 69 69 ALA CA C 13 52.213 0.400 . 1 . . . A 69 ALA CA . 19365 1 705 . 1 1 69 69 ALA CB C 13 18.770 0.400 . 1 . . . A 69 ALA CB . 19365 1 706 . 1 1 69 69 ALA N N 15 118.674 0.400 . 1 . . . A 69 ALA N . 19365 1 707 . 1 1 70 70 LEU H H 1 7.622 0.020 . 1 . . . A 70 LEU H . 19365 1 708 . 1 1 70 70 LEU HA H 1 4.200 0.020 . 1 . . . A 70 LEU HA . 19365 1 709 . 1 1 70 70 LEU HB2 H 1 2.039 0.020 . 1 . . . A 70 LEU HB2 . 19365 1 710 . 1 1 70 70 LEU HB3 H 1 2.191 0.020 . 1 . . . A 70 LEU HB3 . 19365 1 711 . 1 1 70 70 LEU HG H 1 1.486 0.020 . 1 . . . A 70 LEU HG . 19365 1 712 . 1 1 70 70 LEU HD11 H 1 1.100 0.020 . 1 . . . A 70 LEU HD11 . 19365 1 713 . 1 1 70 70 LEU HD12 H 1 1.100 0.020 . 1 . . . A 70 LEU HD12 . 19365 1 714 . 1 1 70 70 LEU HD13 H 1 1.100 0.020 . 1 . . . A 70 LEU HD13 . 19365 1 715 . 1 1 70 70 LEU HD21 H 1 0.973 0.020 . 1 . . . A 70 LEU HD21 . 19365 1 716 . 1 1 70 70 LEU HD22 H 1 0.973 0.020 . 1 . . . A 70 LEU HD22 . 19365 1 717 . 1 1 70 70 LEU HD23 H 1 0.973 0.020 . 1 . . . A 70 LEU HD23 . 19365 1 718 . 1 1 70 70 LEU CA C 13 60.036 0.400 . 1 . . . A 70 LEU CA . 19365 1 719 . 1 1 70 70 LEU CB C 13 38.800 0.400 . 1 . . . A 70 LEU CB . 19365 1 720 . 1 1 70 70 LEU CG C 13 26.700 0.400 . 1 . . . A 70 LEU CG . 19365 1 721 . 1 1 70 70 LEU CD1 C 13 24.669 0.400 . 1 . . . A 70 LEU CD1 . 19365 1 722 . 1 1 70 70 LEU CD2 C 13 24.907 0.400 . 1 . . . A 70 LEU CD2 . 19365 1 723 . 1 1 70 70 LEU N N 15 117.440 0.400 . 1 . . . A 70 LEU N . 19365 1 724 . 1 1 71 71 PRO HA H 1 3.903 0.020 . 1 . . . A 71 PRO HA . 19365 1 725 . 1 1 71 71 PRO HB2 H 1 2.128 0.020 . 1 . . . A 71 PRO HB2 . 19365 1 726 . 1 1 71 71 PRO HB3 H 1 2.003 0.020 . 1 . . . A 71 PRO HB3 . 19365 1 727 . 1 1 71 71 PRO HG2 H 1 2.447 0.020 . 1 . . . A 71 PRO HG2 . 19365 1 728 . 1 1 71 71 PRO HG3 H 1 1.682 0.020 . 1 . . . A 71 PRO HG3 . 19365 1 729 . 1 1 71 71 PRO HD2 H 1 3.814 0.020 . 1 . . . A 71 PRO HD2 . 19365 1 730 . 1 1 71 71 PRO HD3 H 1 3.754 0.020 . 1 . . . A 71 PRO HD3 . 19365 1 731 . 1 1 71 71 PRO CA C 13 66.495 0.400 . 1 . . . A 71 PRO CA . 19365 1 732 . 1 1 71 71 PRO CB C 13 29.877 0.400 . 1 . . . A 71 PRO CB . 19365 1 733 . 1 1 71 71 PRO CG C 13 28.298 0.400 . 1 . . . A 71 PRO CG . 19365 1 734 . 1 1 71 71 PRO CD C 13 48.797 0.400 . 1 . . . A 71 PRO CD . 19365 1 735 . 1 1 72 72 GLY H H 1 8.435 0.020 . 1 . . . A 72 GLY H . 19365 1 736 . 1 1 72 72 GLY HA2 H 1 3.945 0.020 . 2 . . . A 72 GLY HA2 . 19365 1 737 . 1 1 72 72 GLY HA3 H 1 3.945 0.020 . 2 . . . A 72 GLY HA3 . 19365 1 738 . 1 1 72 72 GLY CA C 13 46.421 0.400 . 1 . . . A 72 GLY CA . 19365 1 739 . 1 1 72 72 GLY N N 15 106.133 0.400 . 1 . . . A 72 GLY N . 19365 1 740 . 1 1 73 73 LYS H H 1 8.409 0.020 . 1 . . . A 73 LYS H . 19365 1 741 . 1 1 73 73 LYS HA H 1 4.197 0.020 . 1 . . . A 73 LYS HA . 19365 1 742 . 1 1 73 73 LYS HB2 H 1 1.969 0.020 . 1 . . . A 73 LYS HB2 . 19365 1 743 . 1 1 73 73 LYS HB3 H 1 1.600 0.020 . 1 . . . A 73 LYS HB3 . 19365 1 744 . 1 1 73 73 LYS HG2 H 1 1.598 0.020 . 1 . . . A 73 LYS HG2 . 19365 1 745 . 1 1 73 73 LYS HG3 H 1 1.539 0.020 . 1 . . . A 73 LYS HG3 . 19365 1 746 . 1 1 73 73 LYS HD2 H 1 1.697 0.020 . 1 . . . A 73 LYS HD2 . 19365 1 747 . 1 1 73 73 LYS HD3 H 1 1.697 0.020 . 1 . . . A 73 LYS HD3 . 19365 1 748 . 1 1 73 73 LYS HE2 H 1 3.114 0.020 . 2 . . . A 73 LYS HE2 . 19365 1 749 . 1 1 73 73 LYS HE3 H 1 2.987 0.020 . 2 . . . A 73 LYS HE3 . 19365 1 750 . 1 1 73 73 LYS CA C 13 57.499 0.400 . 1 . . . A 73 LYS CA . 19365 1 751 . 1 1 73 73 LYS CB C 13 31.999 0.400 . 1 . . . A 73 LYS CB . 19365 1 752 . 1 1 73 73 LYS CG C 13 24.783 0.400 . 1 . . . A 73 LYS CG . 19365 1 753 . 1 1 73 73 LYS CD C 13 27.724 0.400 . 1 . . . A 73 LYS CD . 19365 1 754 . 1 1 73 73 LYS CE C 13 41.596 0.400 . 1 . . . A 73 LYS CE . 19365 1 755 . 1 1 73 73 LYS N N 15 121.515 0.400 . 1 . . . A 73 LYS N . 19365 1 756 . 1 1 74 74 CYS H H 1 7.848 0.020 . 1 . . . A 74 CYS H . 19365 1 757 . 1 1 74 74 CYS HA H 1 4.949 0.020 . 1 . . . A 74 CYS HA . 19365 1 758 . 1 1 74 74 CYS HB2 H 1 2.671 0.020 . 1 . . . A 74 CYS HB2 . 19365 1 759 . 1 1 74 74 CYS HB3 H 1 3.192 0.020 . 1 . . . A 74 CYS HB3 . 19365 1 760 . 1 1 74 74 CYS CA C 13 51.661 0.400 . 1 . . . A 74 CYS CA . 19365 1 761 . 1 1 74 74 CYS CB C 13 34.763 0.400 . 1 . . . A 74 CYS CB . 19365 1 762 . 1 1 74 74 CYS N N 15 114.783 0.400 . 1 . . . A 74 CYS N . 19365 1 763 . 1 1 75 75 GLY H H 1 7.958 0.020 . 1 . . . A 75 GLY H . 19365 1 764 . 1 1 75 75 GLY HA2 H 1 3.912 0.020 . 1 . . . A 75 GLY HA2 . 19365 1 765 . 1 1 75 75 GLY HA3 H 1 4.047 0.020 . 1 . . . A 75 GLY HA3 . 19365 1 766 . 1 1 75 75 GLY CA C 13 45.896 0.400 . 1 . . . A 75 GLY CA . 19365 1 767 . 1 1 75 75 GLY N N 15 109.635 0.400 . 1 . . . A 75 GLY N . 19365 1 768 . 1 1 76 76 VAL H H 1 8.156 0.020 . 1 . . . A 76 VAL H . 19365 1 769 . 1 1 76 76 VAL HA H 1 4.457 0.020 . 1 . . . A 76 VAL HA . 19365 1 770 . 1 1 76 76 VAL HB H 1 1.912 0.020 . 1 . . . A 76 VAL HB . 19365 1 771 . 1 1 76 76 VAL HG11 H 1 0.709 0.020 . 1 . . . A 76 VAL HG11 . 19365 1 772 . 1 1 76 76 VAL HG12 H 1 0.709 0.020 . 1 . . . A 76 VAL HG12 . 19365 1 773 . 1 1 76 76 VAL HG13 H 1 0.709 0.020 . 1 . . . A 76 VAL HG13 . 19365 1 774 . 1 1 76 76 VAL HG21 H 1 0.796 0.020 . 1 . . . A 76 VAL HG21 . 19365 1 775 . 1 1 76 76 VAL HG22 H 1 0.796 0.020 . 1 . . . A 76 VAL HG22 . 19365 1 776 . 1 1 76 76 VAL HG23 H 1 0.796 0.020 . 1 . . . A 76 VAL HG23 . 19365 1 777 . 1 1 76 76 VAL CA C 13 58.986 0.400 . 1 . . . A 76 VAL CA . 19365 1 778 . 1 1 76 76 VAL CB C 13 33.598 0.400 . 1 . . . A 76 VAL CB . 19365 1 779 . 1 1 76 76 VAL CG1 C 13 19.003 0.400 . 1 . . . A 76 VAL CG1 . 19365 1 780 . 1 1 76 76 VAL CG2 C 13 21.080 0.400 . 1 . . . A 76 VAL CG2 . 19365 1 781 . 1 1 76 76 VAL N N 15 115.877 0.400 . 1 . . . A 76 VAL N . 19365 1 782 . 1 1 77 77 ASN H H 1 8.398 0.020 . 1 . . . A 77 ASN H . 19365 1 783 . 1 1 77 77 ASN HA H 1 4.829 0.020 . 1 . . . A 77 ASN HA . 19365 1 784 . 1 1 77 77 ASN HB2 H 1 2.680 0.020 . 1 . . . A 77 ASN HB2 . 19365 1 785 . 1 1 77 77 ASN HB3 H 1 2.581 0.020 . 1 . . . A 77 ASN HB3 . 19365 1 786 . 1 1 77 77 ASN HD21 H 1 7.509 0.020 . 1 . . . A 77 ASN HD21 . 19365 1 787 . 1 1 77 77 ASN HD22 H 1 6.816 0.020 . 1 . . . A 77 ASN HD22 . 19365 1 788 . 1 1 77 77 ASN CA C 13 51.789 0.400 . 1 . . . A 77 ASN CA . 19365 1 789 . 1 1 77 77 ASN CB C 13 39.118 0.400 . 1 . . . A 77 ASN CB . 19365 1 790 . 1 1 77 77 ASN N N 15 121.422 0.400 . 1 . . . A 77 ASN N . 19365 1 791 . 1 1 77 77 ASN ND2 N 15 112.619 0.400 . 1 . . . A 77 ASN ND2 . 19365 1 792 . 1 1 78 78 ILE H H 1 8.022 0.020 . 1 . . . A 78 ILE H . 19365 1 793 . 1 1 78 78 ILE HA H 1 4.640 0.020 . 1 . . . A 78 ILE HA . 19365 1 794 . 1 1 78 78 ILE HB H 1 1.375 0.020 . 1 . . . A 78 ILE HB . 19365 1 795 . 1 1 78 78 ILE HG12 H 1 1.463 0.020 . 1 . . . A 78 ILE HG12 . 19365 1 796 . 1 1 78 78 ILE HG13 H 1 0.739 0.020 . 1 . . . A 78 ILE HG13 . 19365 1 797 . 1 1 78 78 ILE HG21 H 1 0.734 0.020 . 1 . . . A 78 ILE HG21 . 19365 1 798 . 1 1 78 78 ILE HG22 H 1 0.734 0.020 . 1 . . . A 78 ILE HG22 . 19365 1 799 . 1 1 78 78 ILE HG23 H 1 0.734 0.020 . 1 . . . A 78 ILE HG23 . 19365 1 800 . 1 1 78 78 ILE HD11 H 1 0.425 0.020 . 1 . . . A 78 ILE HD11 . 19365 1 801 . 1 1 78 78 ILE HD12 H 1 0.425 0.020 . 1 . . . A 78 ILE HD12 . 19365 1 802 . 1 1 78 78 ILE HD13 H 1 0.425 0.020 . 1 . . . A 78 ILE HD13 . 19365 1 803 . 1 1 78 78 ILE CA C 13 57.185 0.400 . 1 . . . A 78 ILE CA . 19365 1 804 . 1 1 78 78 ILE CB C 13 39.656 0.400 . 1 . . . A 78 ILE CB . 19365 1 805 . 1 1 78 78 ILE CG1 C 13 25.034 0.400 . 1 . . . A 78 ILE CG1 . 19365 1 806 . 1 1 78 78 ILE CG2 C 13 17.895 0.400 . 1 . . . A 78 ILE CG2 . 19365 1 807 . 1 1 78 78 ILE CD1 C 13 12.106 0.400 . 1 . . . A 78 ILE CD1 . 19365 1 808 . 1 1 78 78 ILE N N 15 119.375 0.400 . 1 . . . A 78 ILE N . 19365 1 809 . 1 1 79 79 PRO HA H 1 4.601 0.020 . 1 . . . A 79 PRO HA . 19365 1 810 . 1 1 79 79 PRO HB2 H 1 2.143 0.020 . 1 . . . A 79 PRO HB2 . 19365 1 811 . 1 1 79 79 PRO HB3 H 1 2.047 0.020 . 1 . . . A 79 PRO HB3 . 19365 1 812 . 1 1 79 79 PRO HG2 H 1 1.587 0.020 . 1 . . . A 79 PRO HG2 . 19365 1 813 . 1 1 79 79 PRO HG3 H 1 2.097 0.020 . 1 . . . A 79 PRO HG3 . 19365 1 814 . 1 1 79 79 PRO HD2 H 1 3.496 0.020 . 1 . . . A 79 PRO HD2 . 19365 1 815 . 1 1 79 79 PRO HD3 H 1 3.745 0.020 . 1 . . . A 79 PRO HD3 . 19365 1 816 . 1 1 79 79 PRO CA C 13 62.877 0.400 . 1 . . . A 79 PRO CA . 19365 1 817 . 1 1 79 79 PRO CB C 13 29.833 0.400 . 1 . . . A 79 PRO CB . 19365 1 818 . 1 1 79 79 PRO CG C 13 26.454 0.400 . 1 . . . A 79 PRO CG . 19365 1 819 . 1 1 79 79 PRO CD C 13 49.917 0.400 . 1 . . . A 79 PRO CD . 19365 1 820 . 1 1 80 80 TYR H H 1 6.743 0.020 . 1 . . . A 80 TYR H . 19365 1 821 . 1 1 80 80 TYR HA H 1 4.782 0.020 . 1 . . . A 80 TYR HA . 19365 1 822 . 1 1 80 80 TYR HB2 H 1 2.940 0.020 . 1 . . . A 80 TYR HB2 . 19365 1 823 . 1 1 80 80 TYR HB3 H 1 2.905 0.020 . 1 . . . A 80 TYR HB3 . 19365 1 824 . 1 1 80 80 TYR HD1 H 1 6.754 0.020 . 1 . . . A 80 TYR HD1 . 19365 1 825 . 1 1 80 80 TYR HD2 H 1 6.754 0.020 . 1 . . . A 80 TYR HD2 . 19365 1 826 . 1 1 80 80 TYR HE1 H 1 6.824 0.020 . 1 . . . A 80 TYR HE1 . 19365 1 827 . 1 1 80 80 TYR HE2 H 1 6.824 0.020 . 1 . . . A 80 TYR HE2 . 19365 1 828 . 1 1 80 80 TYR CA C 13 54.030 0.400 . 1 . . . A 80 TYR CA . 19365 1 829 . 1 1 80 80 TYR CB C 13 39.347 0.400 . 1 . . . A 80 TYR CB . 19365 1 830 . 1 1 80 80 TYR N N 15 115.555 0.400 . 1 . . . A 80 TYR N . 19365 1 831 . 1 1 81 81 LYS H H 1 8.334 0.020 . 1 . . . A 81 LYS H . 19365 1 832 . 1 1 81 81 LYS HA H 1 4.502 0.020 . 1 . . . A 81 LYS HA . 19365 1 833 . 1 1 81 81 LYS HB2 H 1 1.661 0.020 . 2 . . . A 81 LYS HB2 . 19365 1 834 . 1 1 81 81 LYS HB3 H 1 1.661 0.020 . 2 . . . A 81 LYS HB3 . 19365 1 835 . 1 1 81 81 LYS HG2 H 1 1.405 0.020 . 1 . . . A 81 LYS HG2 . 19365 1 836 . 1 1 81 81 LYS HG3 H 1 1.486 0.020 . 1 . . . A 81 LYS HG3 . 19365 1 837 . 1 1 81 81 LYS HD2 H 1 1.688 0.020 . 1 . . . A 81 LYS HD2 . 19365 1 838 . 1 1 81 81 LYS HD3 H 1 1.688 0.020 . 1 . . . A 81 LYS HD3 . 19365 1 839 . 1 1 81 81 LYS HE2 H 1 2.983 0.020 . 1 . . . A 81 LYS HE2 . 19365 1 840 . 1 1 81 81 LYS HE3 H 1 2.983 0.020 . 1 . . . A 81 LYS HE3 . 19365 1 841 . 1 1 81 81 LYS CA C 13 53.866 0.400 . 1 . . . A 81 LYS CA . 19365 1 842 . 1 1 81 81 LYS CB C 13 33.442 0.400 . 1 . . . A 81 LYS CB . 19365 1 843 . 1 1 81 81 LYS CG C 13 24.053 0.400 . 1 . . . A 81 LYS CG . 19365 1 844 . 1 1 81 81 LYS CD C 13 28.260 0.400 . 1 . . . A 81 LYS CD . 19365 1 845 . 1 1 81 81 LYS CE C 13 41.453 0.400 . 1 . . . A 81 LYS CE . 19365 1 846 . 1 1 81 81 LYS N N 15 117.339 0.400 . 1 . . . A 81 LYS N . 19365 1 847 . 1 1 82 82 ILE H H 1 9.201 0.020 . 1 . . . A 82 ILE H . 19365 1 848 . 1 1 82 82 ILE HA H 1 3.972 0.020 . 1 . . . A 82 ILE HA . 19365 1 849 . 1 1 82 82 ILE HB H 1 1.869 0.020 . 1 . . . A 82 ILE HB . 19365 1 850 . 1 1 82 82 ILE HG12 H 1 1.042 0.020 . 2 . . . A 82 ILE HG12 . 19365 1 851 . 1 1 82 82 ILE HG13 H 1 1.042 0.020 . 2 . . . A 82 ILE HG13 . 19365 1 852 . 1 1 82 82 ILE HG21 H 1 0.790 0.020 . 1 . . . A 82 ILE HG21 . 19365 1 853 . 1 1 82 82 ILE HG22 H 1 0.790 0.020 . 1 . . . A 82 ILE HG22 . 19365 1 854 . 1 1 82 82 ILE HG23 H 1 0.790 0.020 . 1 . . . A 82 ILE HG23 . 19365 1 855 . 1 1 82 82 ILE HD11 H 1 0.954 0.020 . 1 . . . A 82 ILE HD11 . 19365 1 856 . 1 1 82 82 ILE HD12 H 1 0.954 0.020 . 1 . . . A 82 ILE HD12 . 19365 1 857 . 1 1 82 82 ILE HD13 H 1 0.954 0.020 . 1 . . . A 82 ILE HD13 . 19365 1 858 . 1 1 82 82 ILE CA C 13 61.457 0.400 . 1 . . . A 82 ILE CA . 19365 1 859 . 1 1 82 82 ILE CB C 13 35.692 0.400 . 1 . . . A 82 ILE CB . 19365 1 860 . 1 1 82 82 ILE CG1 C 13 26.685 0.400 . 1 . . . A 82 ILE CG1 . 19365 1 861 . 1 1 82 82 ILE CG2 C 13 15.707 0.400 . 1 . . . A 82 ILE CG2 . 19365 1 862 . 1 1 82 82 ILE CD1 C 13 12.561 0.400 . 1 . . . A 82 ILE CD1 . 19365 1 863 . 1 1 82 82 ILE N N 15 126.103 0.400 . 1 . . . A 82 ILE N . 19365 1 864 . 1 1 83 83 SER H H 1 7.421 0.020 . 1 . . . A 83 SER H . 19365 1 865 . 1 1 83 83 SER HA H 1 4.570 0.020 . 1 . . . A 83 SER HA . 19365 1 866 . 1 1 83 83 SER HB2 H 1 3.956 0.020 . 1 . . . A 83 SER HB2 . 19365 1 867 . 1 1 83 83 SER HB3 H 1 3.560 0.020 . 1 . . . A 83 SER HB3 . 19365 1 868 . 1 1 83 83 SER CA C 13 55.560 0.400 . 1 . . . A 83 SER CA . 19365 1 869 . 1 1 83 83 SER CB C 13 63.852 0.400 . 1 . . . A 83 SER CB . 19365 1 870 . 1 1 83 83 SER N N 15 119.780 0.400 . 1 . . . A 83 SER N . 19365 1 871 . 1 1 84 84 THR H H 1 8.703 0.020 . 1 . . . A 84 THR H . 19365 1 872 . 1 1 84 84 THR HA H 1 4.240 0.020 . 1 . . . A 84 THR HA . 19365 1 873 . 1 1 84 84 THR HB H 1 4.435 0.020 . 1 . . . A 84 THR HB . 19365 1 874 . 1 1 84 84 THR HG21 H 1 1.270 0.020 . 1 . . . A 84 THR HG21 . 19365 1 875 . 1 1 84 84 THR HG22 H 1 1.270 0.020 . 1 . . . A 84 THR HG22 . 19365 1 876 . 1 1 84 84 THR HG23 H 1 1.270 0.020 . 1 . . . A 84 THR HG23 . 19365 1 877 . 1 1 84 84 THR CA C 13 63.400 0.400 . 1 . . . A 84 THR CA . 19365 1 878 . 1 1 84 84 THR CB C 13 67.971 0.400 . 1 . . . A 84 THR CB . 19365 1 879 . 1 1 84 84 THR CG2 C 13 21.347 0.400 . 1 . . . A 84 THR CG2 . 19365 1 880 . 1 1 84 84 THR N N 15 113.742 0.400 . 1 . . . A 84 THR N . 19365 1 881 . 1 1 85 85 THR H H 1 8.034 0.020 . 1 . . . A 85 THR H . 19365 1 882 . 1 1 85 85 THR HA H 1 4.441 0.020 . 1 . . . A 85 THR HA . 19365 1 883 . 1 1 85 85 THR HB H 1 4.473 0.020 . 1 . . . A 85 THR HB . 19365 1 884 . 1 1 85 85 THR HG1 H 1 5.012 0.020 . 1 . . . A 85 THR HG1 . 19365 1 885 . 1 1 85 85 THR HG21 H 1 1.167 0.020 . 1 . . . A 85 THR HG21 . 19365 1 886 . 1 1 85 85 THR HG22 H 1 1.167 0.020 . 1 . . . A 85 THR HG22 . 19365 1 887 . 1 1 85 85 THR HG23 H 1 1.167 0.020 . 1 . . . A 85 THR HG23 . 19365 1 888 . 1 1 85 85 THR CA C 13 60.606 0.400 . 1 . . . A 85 THR CA . 19365 1 889 . 1 1 85 85 THR CB C 13 68.446 0.400 . 1 . . . A 85 THR CB . 19365 1 890 . 1 1 85 85 THR CG2 C 13 20.673 0.400 . 1 . . . A 85 THR CG2 . 19365 1 891 . 1 1 85 85 THR N N 15 108.994 0.400 . 1 . . . A 85 THR N . 19365 1 892 . 1 1 86 86 THR H H 1 7.094 0.020 . 1 . . . A 86 THR H . 19365 1 893 . 1 1 86 86 THR HA H 1 3.869 0.020 . 1 . . . A 86 THR HA . 19365 1 894 . 1 1 86 86 THR HB H 1 4.059 0.020 . 1 . . . A 86 THR HB . 19365 1 895 . 1 1 86 86 THR HG21 H 1 1.155 0.020 . 1 . . . A 86 THR HG21 . 19365 1 896 . 1 1 86 86 THR HG22 H 1 1.155 0.020 . 1 . . . A 86 THR HG22 . 19365 1 897 . 1 1 86 86 THR HG23 H 1 1.155 0.020 . 1 . . . A 86 THR HG23 . 19365 1 898 . 1 1 86 86 THR CA C 13 63.395 0.400 . 1 . . . A 86 THR CA . 19365 1 899 . 1 1 86 86 THR CB C 13 69.597 0.400 . 1 . . . A 86 THR CB . 19365 1 900 . 1 1 86 86 THR CG2 C 13 21.155 0.400 . 1 . . . A 86 THR CG2 . 19365 1 901 . 1 1 86 86 THR N N 15 120.666 0.400 . 1 . . . A 86 THR N . 19365 1 902 . 1 1 87 87 ASN H H 1 8.758 0.020 . 1 . . . A 87 ASN H . 19365 1 903 . 1 1 87 87 ASN HA H 1 4.864 0.020 . 1 . . . A 87 ASN HA . 19365 1 904 . 1 1 87 87 ASN HB2 H 1 2.720 0.020 . 1 . . . A 87 ASN HB2 . 19365 1 905 . 1 1 87 87 ASN HB3 H 1 3.131 0.020 . 1 . . . A 87 ASN HB3 . 19365 1 906 . 1 1 87 87 ASN HD21 H 1 7.556 0.020 . 1 . . . A 87 ASN HD21 . 19365 1 907 . 1 1 87 87 ASN HD22 H 1 7.053 0.020 . 1 . . . A 87 ASN HD22 . 19365 1 908 . 1 1 87 87 ASN CA C 13 50.689 0.400 . 1 . . . A 87 ASN CA . 19365 1 909 . 1 1 87 87 ASN CB C 13 37.072 0.400 . 1 . . . A 87 ASN CB . 19365 1 910 . 1 1 87 87 ASN N N 15 124.625 0.400 . 1 . . . A 87 ASN N . 19365 1 911 . 1 1 87 87 ASN ND2 N 15 111.645 0.400 . 1 . . . A 87 ASN ND2 . 19365 1 912 . 1 1 88 88 CYS H H 1 8.787 0.020 . 1 . . . A 88 CYS H . 19365 1 913 . 1 1 88 88 CYS HA H 1 4.283 0.020 . 1 . . . A 88 CYS HA . 19365 1 914 . 1 1 88 88 CYS HB2 H 1 2.856 0.020 . 1 . . . A 88 CYS HB2 . 19365 1 915 . 1 1 88 88 CYS HB3 H 1 3.037 0.020 . 1 . . . A 88 CYS HB3 . 19365 1 916 . 1 1 88 88 CYS CA C 13 55.921 0.400 . 1 . . . A 88 CYS CA . 19365 1 917 . 1 1 88 88 CYS CB C 13 38.389 0.400 . 1 . . . A 88 CYS CB . 19365 1 918 . 1 1 88 88 CYS N N 15 123.141 0.400 . 1 . . . A 88 CYS N . 19365 1 919 . 1 1 89 89 ASN H H 1 8.354 0.020 . 1 . . . A 89 ASN H . 19365 1 920 . 1 1 89 89 ASN HA H 1 4.640 0.020 . 1 . . . A 89 ASN HA . 19365 1 921 . 1 1 89 89 ASN HB2 H 1 2.896 0.020 . 2 . . . A 89 ASN HB2 . 19365 1 922 . 1 1 89 89 ASN HB3 H 1 2.896 0.020 . 2 . . . A 89 ASN HB3 . 19365 1 923 . 1 1 89 89 ASN HD21 H 1 7.599 0.020 . 1 . . . A 89 ASN HD21 . 19365 1 924 . 1 1 89 89 ASN HD22 H 1 6.980 0.020 . 1 . . . A 89 ASN HD22 . 19365 1 925 . 1 1 89 89 ASN CA C 13 54.137 0.400 . 1 . . . A 89 ASN CA . 19365 1 926 . 1 1 89 89 ASN CB C 13 37.733 0.400 . 1 . . . A 89 ASN CB . 19365 1 927 . 1 1 89 89 ASN N N 15 115.215 0.400 . 1 . . . A 89 ASN N . 19365 1 928 . 1 1 89 89 ASN ND2 N 15 112.976 0.400 . 1 . . . A 89 ASN ND2 . 19365 1 929 . 1 1 90 90 THR H H 1 7.426 0.020 . 1 . . . A 90 THR H . 19365 1 930 . 1 1 90 90 THR HA H 1 4.436 0.020 . 1 . . . A 90 THR HA . 19365 1 931 . 1 1 90 90 THR HB H 1 4.445 0.020 . 1 . . . A 90 THR HB . 19365 1 932 . 1 1 90 90 THR HG21 H 1 1.112 0.020 . 1 . . . A 90 THR HG21 . 19365 1 933 . 1 1 90 90 THR HG22 H 1 1.112 0.020 . 1 . . . A 90 THR HG22 . 19365 1 934 . 1 1 90 90 THR HG23 H 1 1.112 0.020 . 1 . . . A 90 THR HG23 . 19365 1 935 . 1 1 90 90 THR CA C 13 60.400 0.400 . 1 . . . A 90 THR CA . 19365 1 936 . 1 1 90 90 THR CB C 13 68.312 0.400 . 1 . . . A 90 THR CB . 19365 1 937 . 1 1 90 90 THR CG2 C 13 20.587 0.400 . 1 . . . A 90 THR CG2 . 19365 1 938 . 1 1 90 90 THR N N 15 107.951 0.400 . 1 . . . A 90 THR N . 19365 1 939 . 1 1 91 91 VAL H H 1 6.937 0.020 . 1 . . . A 91 VAL H . 19365 1 940 . 1 1 91 91 VAL HA H 1 3.757 0.020 . 1 . . . A 91 VAL HA . 19365 1 941 . 1 1 91 91 VAL HB H 1 1.679 0.020 . 1 . . . A 91 VAL HB . 19365 1 942 . 1 1 91 91 VAL HG11 H 1 0.317 0.020 . 1 . . . A 91 VAL HG11 . 19365 1 943 . 1 1 91 91 VAL HG12 H 1 0.317 0.020 . 1 . . . A 91 VAL HG12 . 19365 1 944 . 1 1 91 91 VAL HG13 H 1 0.317 0.020 . 1 . . . A 91 VAL HG13 . 19365 1 945 . 1 1 91 91 VAL HG21 H 1 0.864 0.020 . 1 . . . A 91 VAL HG21 . 19365 1 946 . 1 1 91 91 VAL HG22 H 1 0.864 0.020 . 1 . . . A 91 VAL HG22 . 19365 1 947 . 1 1 91 91 VAL HG23 H 1 0.864 0.020 . 1 . . . A 91 VAL HG23 . 19365 1 948 . 1 1 91 91 VAL CA C 13 61.847 0.400 . 1 . . . A 91 VAL CA . 19365 1 949 . 1 1 91 91 VAL CB C 13 31.984 0.400 . 1 . . . A 91 VAL CB . 19365 1 950 . 1 1 91 91 VAL CG1 C 13 20.616 0.400 . 1 . . . A 91 VAL CG1 . 19365 1 951 . 1 1 91 91 VAL CG2 C 13 21.056 0.400 . 1 . . . A 91 VAL CG2 . 19365 1 952 . 1 1 91 91 VAL N N 15 122.911 0.400 . 1 . . . A 91 VAL N . 19365 1 953 . 1 1 92 92 LYS H H 1 8.204 0.020 . 1 . . . A 92 LYS H . 19365 1 954 . 1 1 92 92 LYS HA H 1 4.381 0.020 . 1 . . . A 92 LYS HA . 19365 1 955 . 1 1 92 92 LYS HB2 H 1 1.683 0.020 . 1 . . . A 92 LYS HB2 . 19365 1 956 . 1 1 92 92 LYS HB3 H 1 1.813 0.020 . 1 . . . A 92 LYS HB3 . 19365 1 957 . 1 1 92 92 LYS HG2 H 1 1.373 0.020 . 1 . . . A 92 LYS HG2 . 19365 1 958 . 1 1 92 92 LYS HG3 H 1 1.427 0.020 . 1 . . . A 92 LYS HG3 . 19365 1 959 . 1 1 92 92 LYS HD2 H 1 1.765 0.020 . 1 . . . A 92 LYS HD2 . 19365 1 960 . 1 1 92 92 LYS HD3 H 1 1.765 0.020 . 1 . . . A 92 LYS HD3 . 19365 1 961 . 1 1 92 92 LYS HE2 H 1 3.011 0.020 . 1 . . . A 92 LYS HE2 . 19365 1 962 . 1 1 92 92 LYS HE3 H 1 3.011 0.020 . 1 . . . A 92 LYS HE3 . 19365 1 963 . 1 1 92 92 LYS HZ1 H 1 7.892 0.020 . 1 . . . A 92 LYS HZ1 . 19365 1 964 . 1 1 92 92 LYS HZ2 H 1 7.892 0.020 . 1 . . . A 92 LYS HZ2 . 19365 1 965 . 1 1 92 92 LYS HZ3 H 1 7.892 0.020 . 1 . . . A 92 LYS HZ3 . 19365 1 966 . 1 1 92 92 LYS CA C 13 54.742 0.400 . 1 . . . A 92 LYS CA . 19365 1 967 . 1 1 92 92 LYS CB C 13 31.422 0.400 . 1 . . . A 92 LYS CB . 19365 1 968 . 1 1 92 92 LYS CG C 13 23.878 0.400 . 1 . . . A 92 LYS CG . 19365 1 969 . 1 1 92 92 LYS CD C 13 23.901 0.400 . 1 . . . A 92 LYS CD . 19365 1 970 . 1 1 92 92 LYS CE C 13 41.541 0.400 . 1 . . . A 92 LYS CE . 19365 1 971 . 1 1 92 92 LYS N N 15 126.987 0.400 . 1 . . . A 92 LYS N . 19365 1 972 . 1 1 93 93 PHE H H 1 7.838 0.020 . 1 . . . A 93 PHE H . 19365 1 973 . 1 1 93 93 PHE HA H 1 4.377 0.020 . 1 . . . A 93 PHE HA . 19365 1 974 . 1 1 93 93 PHE HB2 H 1 2.830 0.020 . 1 . . . A 93 PHE HB2 . 19365 1 975 . 1 1 93 93 PHE HB3 H 1 3.267 0.020 . 1 . . . A 93 PHE HB3 . 19365 1 976 . 1 1 93 93 PHE HD1 H 1 7.316 0.020 . 1 . . . A 93 PHE HD1 . 19365 1 977 . 1 1 93 93 PHE HD2 H 1 7.316 0.020 . 1 . . . A 93 PHE HD2 . 19365 1 978 . 1 1 93 93 PHE HE1 H 1 7.154 0.020 . 1 . . . A 93 PHE HE1 . 19365 1 979 . 1 1 93 93 PHE HE2 H 1 7.154 0.020 . 1 . . . A 93 PHE HE2 . 19365 1 980 . 1 1 93 93 PHE HZ H 1 7.100 0.020 . 1 . . . A 93 PHE HZ . 19365 1 981 . 1 1 93 93 PHE CA C 13 59.504 0.400 . 1 . . . A 93 PHE CA . 19365 1 982 . 1 1 93 93 PHE CB C 13 40.140 0.400 . 1 . . . A 93 PHE CB . 19365 1 983 . 1 1 93 93 PHE N N 15 128.668 0.400 . 1 . . . A 93 PHE N . 19365 1 stop_ save_