data_18080 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18080 _Entry.Title ; structure of amyloid precursor protein's transmembrane domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-11-15 _Entry.Accession_date 2011-11-15 _Entry.Last_release_date 2012-01-25 _Entry.Original_release_date 2012-01-25 _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 'NMR, 20 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kirill Nadezhdin . D. . 18080 2 Olga Bocharova . V. . 18080 3 Eduard Bocharov . V. . 18080 4 Alexander Arseniev . A. . 18080 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' . 18080 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Alzheimer's disease' . 18080 'amyloid precursor protein' . 18080 'DPC micelles' . 18080 'solution NMR' . 18080 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18080 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 138 18080 '15N chemical shifts' 44 18080 '1H chemical shifts' 273 18080 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-01-25 2011-11-15 original author . 18080 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LLM 'BMRB Entry Tracking System' 18080 PDB 2LOH 'BMRB Entry Tracking System' 18080 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18080 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI http://actanaturae.ru/article.aspx?id=236 _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Structural and Dynamic Study of the Transmembrane Domain of the Amyloid Precursor Protein' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Acta Naturae' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Kirill Nadezhdin . D. . 18080 1 2 Olga Bocharova . V. . 18080 1 3 Eduard Bocharov . V. . 18080 1 4 Alexander Arseniev . A. . 18080 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18080 _Assembly.ID 1 _Assembly.Name 'amyloid precursor protein's transmembrane domain' _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 'amyloid precursor protein's transmembrane domain' 1 $entity A . yes native no no . . . 18080 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 18080 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; GSQKLVFFAEDVGSNKGAII GLMVGGVVIATVIVITLVML KKK ; _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 43 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4450.500 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15775 . APP_C99 . . . . . 97.67 122 97.62 97.62 6.70e-17 . . . . 18080 1 2 no BMRB 18649 . "wild type monomer" . . . . . 65.12 32 100.00 100.00 5.01e-06 . . . . 18080 1 3 no PDB 2LLM . "Structure Of Amyloid Precursor Protein's Transmembrane Domain" . . . . . 100.00 43 100.00 100.00 5.00e-18 . . . . 18080 1 4 no PDB 2LOH . "Dimeric Structure Of Transmembrane Domain Of Amyloid Precursor Protein In Micellar Environment" . . . . . 100.00 43 100.00 100.00 5.00e-18 . . . . 18080 1 5 no PDB 2LP1 . "The Solution Nmr Structure Of The Transmembrane C-Terminal Domain Of The Amyloid Precursor Protein (C99)" . . . . . 97.67 122 97.62 97.62 6.70e-17 . . . . 18080 1 6 no PDB 2LZ3 . "Solution Nmr Structure Of Transmembrane Domain Of Amyloid Precursor Protein Wt" . . . . . 65.12 28 100.00 100.00 5.73e-06 . . . . 18080 1 7 no PDB 5AEF . "Electron Cryo-microscopy Of An Abeta(1-42)amyloid Fibril" . . . . . 65.12 28 100.00 100.00 2.62e-08 . . . . 18080 1 8 no DBJ BAA22264 . "amyloid precursor protein [Homo sapiens]" . . . . . 95.35 770 100.00 100.00 3.52e-16 . . . . 18080 1 9 no DBJ BAA84580 . "amyloid precursor protein [Sus scrofa]" . . . . . 95.35 770 100.00 100.00 3.52e-16 . . . . 18080 1 10 no DBJ BAB71958 . "amyloid precursor protein [Homo sapiens]" . . . . . 90.70 52 97.44 97.44 9.96e-15 . . . . 18080 1 11 no DBJ BAC34997 . "unnamed protein product [Mus musculus]" . . . . . 95.35 218 100.00 100.00 4.99e-17 . . . . 18080 1 12 no DBJ BAC36369 . "unnamed protein product [Mus musculus]" . . . . . 95.35 384 100.00 100.00 8.77e-17 . . . . 18080 1 13 no EMBL CAA30050 . "amyloid A4 protein [Homo sapiens]" . . . . . 95.35 751 100.00 100.00 3.45e-16 . . . . 18080 1 14 no EMBL CAA30488 . "unnamed protein product [Rattus rattus]" . . . . . 95.35 695 100.00 100.00 3.19e-16 . . . . 18080 1 15 no EMBL CAA31830 . "A4 amyloid protein precursor [Homo sapiens]" . . . . . 95.35 695 100.00 100.00 3.19e-16 . . . . 18080 1 16 no EMBL CAA39589 . "amyloid precursor protein [Bos taurus]" . . . . . 93.02 59 97.50 97.50 1.77e-15 . . . . 18080 1 17 no EMBL CAA39590 . "amyloid precursor protein [Canis lupus familiaris]" . . . . . 90.70 58 97.44 97.44 9.45e-15 . . . . 18080 1 18 no GB AAA35540 . "amyloid protein, partial [Homo sapiens]" . . . . . 97.67 97 97.62 97.62 3.91e-17 . . . . 18080 1 19 no GB AAA36829 . "amyloid b-protein precursor [Macaca fascicularis]" . . . . . 95.35 695 100.00 100.00 3.19e-16 . . . . 18080 1 20 no GB AAA37139 . "beta-amyloid protein [Mus musculus]" . . . . . 95.35 695 100.00 100.00 3.19e-16 . . . . 18080 1 21 no GB AAA51722 . "amyloid beta-protein precursor, partial [Homo sapiens]" . . . . . 95.35 412 100.00 100.00 1.17e-16 . . . . 18080 1 22 no GB AAA51726 . "beta-amyloid A4, partial [Homo sapiens]" . . . . . 95.35 264 100.00 100.00 3.41e-17 . . . . 18080 1 23 no PIR A60045 . "Alzheimer's disease amyloid beta/A4 protein precursor - dog (fragment)" . . . . . 90.70 57 97.44 97.44 9.26e-15 . . . . 18080 1 24 no PIR D60045 . "Alzheimer's disease amyloid beta/A4 protein precursor - bovine (fragment)" . . . . . 90.70 57 97.44 97.44 9.26e-15 . . . . 18080 1 25 no PIR E60045 . "Alzheimer's disease amyloid beta/A4 protein precursor - sheep (fragment)" . . . . . 90.70 57 97.44 97.44 9.26e-15 . . . . 18080 1 26 no PIR G60045 . "Alzheimer's disease amyloid beta/A4 protein precursor - guinea pig (fragment)" . . . . . 90.70 57 97.44 97.44 9.26e-15 . . . . 18080 1 27 no PIR JH0773 . "Alzheimer's disease amyloid beta protein precursor - African clawed frog" . . . . . 95.35 747 97.56 100.00 1.46e-15 . . . . 18080 1 28 no PRF 1303338A . "amyloid A4 protein precursor" . . . . . 95.35 695 100.00 100.00 3.19e-16 . . . . 18080 1 29 no PRF 1403400A . "amyloid protein A4" . . . . . 95.35 751 100.00 100.00 3.45e-16 . . . . 18080 1 30 no PRF 1507304A . "beta amyloid peptide precursor" . . . . . 95.35 412 100.00 100.00 1.17e-16 . . . . 18080 1 31 no PRF 1507304B . "beta amyloid peptide precursor" . . . . . 95.35 574 100.00 100.00 2.50e-16 . . . . 18080 1 32 no PRF 1507304C . "beta amyloid peptide precursor" . . . . . 95.35 165 100.00 100.00 3.85e-17 . . . . 18080 1 33 no REF NP_000475 . "amyloid beta A4 protein isoform a precursor [Homo sapiens]" . . . . . 95.35 770 100.00 100.00 3.52e-16 . . . . 18080 1 34 no REF NP_001005698 . "amyloid beta A4 protein precursor [Xenopus (Silurana) tropicalis]" . . . . . 95.35 750 97.56 100.00 1.46e-15 . . . . 18080 1 35 no REF NP_001006601 . "amyloid beta A4 protein isoform APP-770 precursor [Canis lupus familiaris]" . . . . . 95.35 770 100.00 100.00 3.52e-16 . . . . 18080 1 36 no REF NP_001013036 . "amyloid beta A4 protein precursor [Pan troglodytes]" . . . . . 95.35 770 100.00 100.00 3.52e-16 . . . . 18080 1 37 no REF NP_001070264 . "amyloid beta A4 protein precursor [Bos taurus]" . . . . . 95.35 695 100.00 100.00 3.19e-16 . . . . 18080 1 38 no SP O73683 . "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" . . . . . 95.35 780 97.56 100.00 7.97e-16 . . . . 18080 1 39 no SP P05067 . "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; AltName: Full=APPI; Short=APP; AltName: Full=Alzheimer disease amylo" . . . . . 95.35 770 100.00 100.00 3.52e-16 . . . . 18080 1 40 no SP P08592 . "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" . . . . . 95.35 770 100.00 100.00 3.52e-16 . . . . 18080 1 41 no SP P12023 . "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" . . . . . 95.35 770 100.00 100.00 3.52e-16 . . . . 18080 1 42 no SP P53601 . "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" . . . . . 95.35 770 100.00 100.00 3.52e-16 . . . . 18080 1 43 no TPG DAA33655 . "TPA: amyloid beta A4 protein [Bos taurus]" . . . . . 95.35 695 100.00 100.00 3.19e-16 . . . . 18080 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 18080 1 2 . SER . 18080 1 3 . GLN . 18080 1 4 . LYS . 18080 1 5 . LEU . 18080 1 6 . VAL . 18080 1 7 . PHE . 18080 1 8 . PHE . 18080 1 9 . ALA . 18080 1 10 . GLU . 18080 1 11 . ASP . 18080 1 12 . VAL . 18080 1 13 . GLY . 18080 1 14 . SER . 18080 1 15 . ASN . 18080 1 16 . LYS . 18080 1 17 . GLY . 18080 1 18 . ALA . 18080 1 19 . ILE . 18080 1 20 . ILE . 18080 1 21 . GLY . 18080 1 22 . LEU . 18080 1 23 . MET . 18080 1 24 . VAL . 18080 1 25 . GLY . 18080 1 26 . GLY . 18080 1 27 . VAL . 18080 1 28 . VAL . 18080 1 29 . ILE . 18080 1 30 . ALA . 18080 1 31 . THR . 18080 1 32 . VAL . 18080 1 33 . ILE . 18080 1 34 . VAL . 18080 1 35 . ILE . 18080 1 36 . THR . 18080 1 37 . LEU . 18080 1 38 . VAL . 18080 1 39 . MET . 18080 1 40 . LEU . 18080 1 41 . LYS . 18080 1 42 . LYS . 18080 1 43 . LYS . 18080 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18080 1 . SER 2 2 18080 1 . GLN 3 3 18080 1 . LYS 4 4 18080 1 . LEU 5 5 18080 1 . VAL 6 6 18080 1 . PHE 7 7 18080 1 . PHE 8 8 18080 1 . ALA 9 9 18080 1 . GLU 10 10 18080 1 . ASP 11 11 18080 1 . VAL 12 12 18080 1 . GLY 13 13 18080 1 . SER 14 14 18080 1 . ASN 15 15 18080 1 . LYS 16 16 18080 1 . GLY 17 17 18080 1 . ALA 18 18 18080 1 . ILE 19 19 18080 1 . ILE 20 20 18080 1 . GLY 21 21 18080 1 . LEU 22 22 18080 1 . MET 23 23 18080 1 . VAL 24 24 18080 1 . GLY 25 25 18080 1 . GLY 26 26 18080 1 . VAL 27 27 18080 1 . VAL 28 28 18080 1 . ILE 29 29 18080 1 . ALA 30 30 18080 1 . THR 31 31 18080 1 . VAL 32 32 18080 1 . ILE 33 33 18080 1 . VAL 34 34 18080 1 . ILE 35 35 18080 1 . THR 36 36 18080 1 . LEU 37 37 18080 1 . VAL 38 38 18080 1 . MET 39 39 18080 1 . LEU 40 40 18080 1 . LYS 41 41 18080 1 . LYS 42 42 18080 1 . LYS 43 43 18080 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 18080 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18080 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 18080 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEMEX-1 . . . . . . 18080 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18080 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'APPjmtm = peptide under investigations' _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 APPjmtm '[U-100% 13C; U-100% 15N]' . . 1 $entity . . . 0.3 1 mM . . . . 18080 1 2 DPC '[U-100% 2H]' . . . . . . . 21 70 mM . . . . 18080 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18080 1 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18080 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18080 _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 APPjmtm '[U-100% 15N]' . . 1 $entity . . . 0.3 1 mM . . . . 18080 2 2 DPC 'natural abundance' . . . . . . . 21 70 mM . . . . 18080 2 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18080 2 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18080 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18080 _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' 20 . mM 18080 1 pH 4.6 . pH 18080 1 pressure 1 . atm 18080 1 temperature 273 . K 18080 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18080 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18080 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18080 1 processing 18080 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18080 _Software.ID 2 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18080 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18080 2 'structure solution' 18080 2 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 18080 _Software.ID 3 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 18080 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18080 3 visualization 18080 3 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 18080 _Software.ID 4 _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' . . 18080 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18080 4 'structure solution' 18080 4 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18080 _Software.ID 5 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID R.L.J.Keller . . 18080 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18080 5 'data analysis' 18080 5 'peak picking' 18080 5 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 18080 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18080 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18080 _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 . . . 18080 1 2 spectrometer_2 Bruker Avance . 800 . . . 18080 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 18080 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18080 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18080 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18080 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18080 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18080 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18080 1 7 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18080 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18080 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18080 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18080 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 18080 _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 . . . . . . . . . 18080 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18080 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18080 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 18080 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18080 1 2 '2D 1H-13C HSQC' . . . 18080 1 3 '3D HNCO' . . . 18080 1 4 '3D HNCA' . . . 18080 1 5 '3D HN(CO)CA' . . . 18080 1 9 '3D 1H-15N NOESY' . . . 18080 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 4.018 0.000 . 1 . . . A 1 GLY HA2 . 18080 1 2 . 1 1 1 1 GLY HA3 H 1 4.018 0.000 . 1 . . . A 1 GLY HA3 . 18080 1 3 . 1 1 1 1 GLY CA C 13 40.899 0.000 . 1 . . . A 1 GLY CA . 18080 1 4 . 1 1 2 2 SER H H 1 8.902 0.000 . 1 . . . A 2 SER H . 18080 1 5 . 1 1 2 2 SER HA H 1 4.722 0.000 . 1 . . . A 2 SER HA . 18080 1 6 . 1 1 2 2 SER HB3 H 1 4.578 0.000 . 1 . . . A 2 SER HB3 . 18080 1 7 . 1 1 2 2 SER CA C 13 56.168 0.000 . 1 . . . A 2 SER CA . 18080 1 8 . 1 1 2 2 SER N N 15 116.055 0.000 . 1 . . . A 2 SER N . 18080 1 9 . 1 1 3 3 GLN H H 1 8.817 0.000 . 1 . . . A 3 GLN H . 18080 1 10 . 1 1 3 3 GLN HA H 1 4.329 0.000 . 1 . . . A 3 GLN HA . 18080 1 11 . 1 1 3 3 GLN HB3 H 1 2.168 0.000 . 1 . . . A 3 GLN HB3 . 18080 1 12 . 1 1 3 3 GLN HG3 H 1 2.455 0.000 . 1 . . . A 3 GLN HG3 . 18080 1 13 . 1 1 3 3 GLN HE21 H 1 7.521 0.000 . 2 . . . A 3 GLN HE21 . 18080 1 14 . 1 1 3 3 GLN HE22 H 1 6.901 0.000 . 2 . . . A 3 GLN HE22 . 18080 1 15 . 1 1 3 3 GLN CA C 13 54.674 0.000 . 1 . . . A 3 GLN CA . 18080 1 16 . 1 1 3 3 GLN CB C 13 26.279 0.000 . 1 . . . A 3 GLN CB . 18080 1 17 . 1 1 3 3 GLN CG C 13 31.474 0.000 . 1 . . . A 3 GLN CG . 18080 1 18 . 1 1 3 3 GLN N N 15 123.740 0.000 . 1 . . . A 3 GLN N . 18080 1 19 . 1 1 3 3 GLN NE2 N 15 111.630 0.000 . 1 . . . A 3 GLN NE2 . 18080 1 20 . 1 1 4 4 LYS H H 1 8.442 0.000 . 1 . . . A 4 LYS H . 18080 1 21 . 1 1 4 4 LYS HA H 1 4.286 0.000 . 1 . . . A 4 LYS HA . 18080 1 22 . 1 1 4 4 LYS HB3 H 1 1.921 0.000 . 1 . . . A 4 LYS HB3 . 18080 1 23 . 1 1 4 4 LYS HG3 H 1 1.658 0.000 . 2 . . . A 4 LYS HG3 . 18080 1 24 . 1 1 4 4 LYS HD3 H 1 1.813 0.000 . 1 . . . A 4 LYS HD3 . 18080 1 25 . 1 1 4 4 LYS HE3 H 1 3.085 0.000 . 1 . . . A 4 LYS HE3 . 18080 1 26 . 1 1 4 4 LYS CA C 13 55.656 0.000 . 1 . . . A 4 LYS CA . 18080 1 27 . 1 1 4 4 LYS CB C 13 30.427 0.000 . 1 . . . A 4 LYS CB . 18080 1 28 . 1 1 4 4 LYS CG C 13 22.512 0.000 . 1 . . . A 4 LYS CG . 18080 1 29 . 1 1 4 4 LYS CD C 13 26.538 0.000 . 1 . . . A 4 LYS CD . 18080 1 30 . 1 1 4 4 LYS CE C 13 39.592 0.000 . 1 . . . A 4 LYS CE . 18080 1 31 . 1 1 4 4 LYS N N 15 120.182 0.000 . 1 . . . A 4 LYS N . 18080 1 32 . 1 1 5 5 LEU H H 1 8.181 0.000 . 1 . . . A 5 LEU H . 18080 1 33 . 1 1 5 5 LEU HA H 1 4.333 0.000 . 1 . . . A 5 LEU HA . 18080 1 34 . 1 1 5 5 LEU HB3 H 1 1.754 0.000 . 1 . . . A 5 LEU HB3 . 18080 1 35 . 1 1 5 5 LEU HG H 1 1.844 0.000 . 1 . . . A 5 LEU HG . 18080 1 36 . 1 1 5 5 LEU HD11 H 1 1.085 0.000 . 2 . . . A 5 LEU HD11 . 18080 1 37 . 1 1 5 5 LEU HD12 H 1 1.085 0.000 . 2 . . . A 5 LEU HD12 . 18080 1 38 . 1 1 5 5 LEU HD13 H 1 1.085 0.000 . 2 . . . A 5 LEU HD13 . 18080 1 39 . 1 1 5 5 LEU HD21 H 1 1.013 0.000 . 2 . . . A 5 LEU HD21 . 18080 1 40 . 1 1 5 5 LEU HD22 H 1 1.013 0.000 . 2 . . . A 5 LEU HD22 . 18080 1 41 . 1 1 5 5 LEU HD23 H 1 1.013 0.000 . 2 . . . A 5 LEU HD23 . 18080 1 42 . 1 1 5 5 LEU CA C 13 54.479 0.000 . 1 . . . A 5 LEU CA . 18080 1 43 . 1 1 5 5 LEU CB C 13 39.457 0.000 . 1 . . . A 5 LEU CB . 18080 1 44 . 1 1 5 5 LEU CG C 13 24.931 0.000 . 1 . . . A 5 LEU CG . 18080 1 45 . 1 1 5 5 LEU CD1 C 13 22.432 0.000 . 1 . . . A 5 LEU CD1 . 18080 1 46 . 1 1 5 5 LEU CD2 C 13 21.475 0.000 . 1 . . . A 5 LEU CD2 . 18080 1 47 . 1 1 5 5 LEU N N 15 119.225 0.000 . 1 . . . A 5 LEU N . 18080 1 48 . 1 1 6 6 VAL H H 1 7.749 0.000 . 1 . . . A 6 VAL H . 18080 1 49 . 1 1 6 6 VAL HA H 1 3.859 0.000 . 1 . . . A 6 VAL HA . 18080 1 50 . 1 1 6 6 VAL HB H 1 2.152 0.000 . 1 . . . A 6 VAL HB . 18080 1 51 . 1 1 6 6 VAL HG11 H 1 1.045 0.000 . 1 . . . A 6 VAL HG11 . 18080 1 52 . 1 1 6 6 VAL HG12 H 1 1.045 0.000 . 1 . . . A 6 VAL HG11 . 18080 1 53 . 1 1 6 6 VAL HG13 H 1 1.045 0.000 . 1 . . . A 6 VAL HG13 . 18080 1 54 . 1 1 6 6 VAL HG21 H 1 0.931 0.000 . 1 . . . A 6 VAL HG21 . 18080 1 55 . 1 1 6 6 VAL HG22 H 1 0.931 0.000 . 1 . . . A 6 VAL HG22 . 18080 1 56 . 1 1 6 6 VAL HG23 H 1 0.931 0.000 . 1 . . . A 6 VAL HG23 . 18080 1 57 . 1 1 6 6 VAL CA C 13 62.483 0.000 . 1 . . . A 6 VAL CA . 18080 1 58 . 1 1 6 6 VAL CB C 13 29.618 0.000 . 1 . . . A 6 VAL CB . 18080 1 59 . 1 1 6 6 VAL CG1 C 13 19.438 0.000 . 1 . . . A 6 VAL CG1 . 18080 1 60 . 1 1 6 6 VAL CG2 C 13 18.621 0.000 . 1 . . . A 6 VAL CG2 . 18080 1 61 . 1 1 6 6 VAL N N 15 118.118 0.000 . 1 . . . A 6 VAL N . 18080 1 62 . 1 1 7 7 PHE H H 1 7.989 0.000 . 1 . . . A 7 PHE H . 18080 1 63 . 1 1 7 7 PHE HA H 1 4.511 0.000 . 1 . . . A 7 PHE HA . 18080 1 64 . 1 1 7 7 PHE HB3 H 1 3.206 0.000 . 1 . . . A 7 PHE HB3 . 18080 1 65 . 1 1 7 7 PHE HD1 H 1 7.256 0.000 . 1 . . . A 7 PHE HD1 . 18080 1 66 . 1 1 7 7 PHE HD2 H 1 7.256 0.000 . 1 . . . A 7 PHE HD2 . 18080 1 67 . 1 1 7 7 PHE CA C 13 57.016 0.000 . 1 . . . A 7 PHE CA . 18080 1 68 . 1 1 7 7 PHE CB C 13 36.183 0.000 . 1 . . . A 7 PHE CB . 18080 1 69 . 1 1 7 7 PHE N N 15 119.494 0.000 . 1 . . . A 7 PHE N . 18080 1 70 . 1 1 8 8 PHE H H 1 8.031 0.000 . 1 . . . A 8 PHE H . 18080 1 71 . 1 1 8 8 PHE HA H 1 4.445 0.000 . 1 . . . A 8 PHE HA . 18080 1 72 . 1 1 8 8 PHE HB3 H 1 3.277 0.000 . 1 . . . A 8 PHE HB3 . 18080 1 73 . 1 1 8 8 PHE HD1 H 1 7.278 0.000 . 1 . . . A 8 PHE HD1 . 18080 1 74 . 1 1 8 8 PHE HD2 H 1 7.278 0.000 . 1 . . . A 8 PHE HD2 . 18080 1 75 . 1 1 8 8 PHE CA C 13 57.437 0.000 . 1 . . . A 8 PHE CA . 18080 1 76 . 1 1 8 8 PHE CB C 13 36.634 0.000 . 1 . . . A 8 PHE CB . 18080 1 77 . 1 1 8 8 PHE N N 15 118.388 0.000 . 1 . . . A 8 PHE N . 18080 1 78 . 1 1 9 9 ALA H H 1 8.246 0.000 . 1 . . . A 9 ALA H . 18080 1 79 . 1 1 9 9 ALA HA H 1 4.066 0.000 . 1 . . . A 9 ALA HA . 18080 1 80 . 1 1 9 9 ALA HB1 H 1 1.566 0.000 . 1 . . . A 9 ALA HB1 . 18080 1 81 . 1 1 9 9 ALA HB2 H 1 1.566 0.000 . 1 . . . A 9 ALA HB3 . 18080 1 82 . 1 1 9 9 ALA HB3 H 1 1.566 0.000 . 1 . . . A 9 ALA HB3 . 18080 1 83 . 1 1 9 9 ALA CA C 13 52.027 0.000 . 1 . . . A 9 ALA CA . 18080 1 84 . 1 1 9 9 ALA CB C 13 16.190 0.000 . 1 . . . A 9 ALA CB . 18080 1 85 . 1 1 9 9 ALA N N 15 120.899 0.000 . 1 . . . A 9 ALA N . 18080 1 86 . 1 1 10 10 GLU H H 1 8.167 0.000 . 1 . . . A 10 GLU H . 18080 1 87 . 1 1 10 10 GLU HA H 1 4.239 0.000 . 1 . . . A 10 GLU HA . 18080 1 88 . 1 1 10 10 GLU HB3 H 1 2.226 0.000 . 1 . . . A 10 GLU HB3 . 18080 1 89 . 1 1 10 10 GLU HG3 H 1 2.699 0.000 . 2 . . . A 10 GLU HG3 . 18080 1 90 . 1 1 10 10 GLU CA C 13 55.032 0.000 . 1 . . . A 10 GLU CA . 18080 1 91 . 1 1 10 10 GLU CB C 13 26.033 0.000 . 1 . . . A 10 GLU CB . 18080 1 92 . 1 1 10 10 GLU CG C 13 30.933 0.000 . 1 . . . A 10 GLU CG . 18080 1 93 . 1 1 10 10 GLU N N 15 115.098 0.000 . 1 . . . A 10 GLU N . 18080 1 94 . 1 1 11 11 ASP H H 1 8.174 0.000 . 1 . . . A 11 ASP H . 18080 1 95 . 1 1 11 11 ASP HA H 1 4.711 0.000 . 1 . . . A 11 ASP HA . 18080 1 96 . 1 1 11 11 ASP HB3 H 1 2.922 0.000 . 1 . . . A 11 ASP HB3 . 18080 1 97 . 1 1 11 11 ASP CA C 13 52.033 0.000 . 1 . . . A 11 ASP CA . 18080 1 98 . 1 1 11 11 ASP N N 15 118.059 0.000 . 1 . . . A 11 ASP N . 18080 1 99 . 1 1 12 12 VAL H H 1 7.846 0.000 . 1 . . . A 12 VAL H . 18080 1 100 . 1 1 12 12 VAL HA H 1 4.059 0.000 . 1 . . . A 12 VAL HA . 18080 1 101 . 1 1 12 12 VAL HB H 1 2.174 0.000 . 1 . . . A 12 VAL HB . 18080 1 102 . 1 1 12 12 VAL HG11 H 1 0.927 0.000 . 1 . . . A 12 VAL HG11 . 18080 1 103 . 1 1 12 12 VAL HG12 H 1 0.927 0.000 . 1 . . . A 12 VAL HG12 . 18080 1 104 . 1 1 12 12 VAL HG13 H 1 0.927 0.000 . 1 . . . A 12 VAL HG13 . 18080 1 105 . 1 1 12 12 VAL HG21 H 1 0.927 0.000 . 1 . . . A 12 VAL HG21 . 18080 1 106 . 1 1 12 12 VAL HG22 H 1 0.927 0.000 . 1 . . . A 12 VAL HG22 . 18080 1 107 . 1 1 12 12 VAL HG23 H 1 0.927 0.000 . 1 . . . A 12 VAL HG23 . 18080 1 108 . 1 1 12 12 VAL CA C 13 61.057 0.000 . 1 . . . A 12 VAL CA . 18080 1 109 . 1 1 12 12 VAL CB C 13 29.513 0.000 . 1 . . . A 12 VAL CB . 18080 1 110 . 1 1 12 12 VAL CG1 C 13 18.769 0.000 . 1 . . . A 12 VAL CG1 . 18080 1 111 . 1 1 12 12 VAL N N 15 116.474 0.000 . 1 . . . A 12 VAL N . 18080 1 112 . 1 1 13 13 GLY H H 1 8.163 0.000 . 1 . . . A 13 GLY H . 18080 1 113 . 1 1 13 13 GLY HA2 H 1 3.995 0.000 . 1 . . . A 13 GLY HA2 . 18080 1 114 . 1 1 13 13 GLY HA3 H 1 3.995 0.000 . 1 . . . A 13 GLY HA3 . 18080 1 115 . 1 1 13 13 GLY CA C 13 43.545 0.000 . 1 . . . A 13 GLY CA . 18080 1 116 . 1 1 13 13 GLY N N 15 107.383 0.000 . 1 . . . A 13 GLY N . 18080 1 117 . 1 1 14 14 SER H H 1 8.031 0.000 . 1 . . . A 14 SER H . 18080 1 118 . 1 1 14 14 SER HA H 1 4.567 0.000 . 1 . . . A 14 SER HA . 18080 1 119 . 1 1 14 14 SER HB3 H 1 4.065 0.000 . 2 . . . A 14 SER HB3 . 18080 1 120 . 1 1 14 14 SER CA C 13 56.065 0.000 . 1 . . . A 14 SER CA . 18080 1 121 . 1 1 14 14 SER CB C 13 61.566 0.000 . 1 . . . A 14 SER CB . 18080 1 122 . 1 1 14 14 SER N N 15 113.723 0.000 . 1 . . . A 14 SER N . 18080 1 123 . 1 1 15 15 ASN H H 1 8.334 0.000 . 1 . . . A 15 ASN H . 18080 1 124 . 1 1 15 15 ASN HA H 1 4.889 0.000 . 1 . . . A 15 ASN HA . 18080 1 125 . 1 1 15 15 ASN HB3 H 1 3.018 0.000 . 2 . . . A 15 ASN HB3 . 18080 1 126 . 1 1 15 15 ASN HD21 H 1 7.050 0.000 . 2 . . . A 15 ASN HD21 . 18080 1 127 . 1 1 15 15 ASN HD22 H 1 7.792 0.000 . 2 . . . A 15 ASN HD22 . 18080 1 128 . 1 1 15 15 ASN CA C 13 51.205 0.000 . 1 . . . A 15 ASN CA . 18080 1 129 . 1 1 15 15 ASN CB C 13 36.680 0.000 . 1 . . . A 15 ASN CB . 18080 1 130 . 1 1 15 15 ASN N N 15 120.384 0.000 . 1 . . . A 15 ASN N . 18080 1 131 . 1 1 15 15 ASN ND2 N 15 112.791 0.000 . 1 . . . A 15 ASN ND2 . 18080 1 132 . 1 1 16 16 LYS H H 1 8.610 0.000 . 1 . . . A 16 LYS H . 18080 1 133 . 1 1 16 16 LYS HA H 1 4.159 0.000 . 1 . . . A 16 LYS HA . 18080 1 134 . 1 1 16 16 LYS HB3 H 1 1.943 0.000 . 2 . . . A 16 LYS HB3 . 18080 1 135 . 1 1 16 16 LYS HG3 H 1 1.628 0.000 . 2 . . . A 16 LYS HG3 . 18080 1 136 . 1 1 16 16 LYS HD3 H 1 1.811 0.000 . 1 . . . A 16 LYS HD3 . 18080 1 137 . 1 1 16 16 LYS HE3 H 1 3.074 0.000 . 1 . . . A 16 LYS HE3 . 18080 1 138 . 1 1 16 16 LYS CA C 13 56.438 0.000 . 1 . . . A 16 LYS CA . 18080 1 139 . 1 1 16 16 LYS CB C 13 30.170 0.000 . 1 . . . A 16 LYS CB . 18080 1 140 . 1 1 16 16 LYS CG C 13 22.808 0.000 . 1 . . . A 16 LYS CG . 18080 1 141 . 1 1 16 16 LYS CD C 13 26.639 0.000 . 1 . . . A 16 LYS CD . 18080 1 142 . 1 1 16 16 LYS CE C 13 39.572 0.000 . 1 . . . A 16 LYS CE . 18080 1 143 . 1 1 16 16 LYS N N 15 121.348 0.000 . 1 . . . A 16 LYS N . 18080 1 144 . 1 1 17 17 GLY H H 1 8.620 0.000 . 1 . . . A 17 GLY H . 18080 1 145 . 1 1 17 17 GLY HA2 H 1 4.018 0.000 . 2 . . . A 17 GLY HA2 . 18080 1 146 . 1 1 17 17 GLY HA3 H 1 3.828 0.000 . 2 . . . A 17 GLY HA3 . 18080 1 147 . 1 1 17 17 GLY CA C 13 44.775 0.000 . 1 . . . A 17 GLY CA . 18080 1 148 . 1 1 17 17 GLY N N 15 106.755 0.000 . 1 . . . A 17 GLY N . 18080 1 149 . 1 1 18 18 ALA H H 1 8.099 0.000 . 1 . . . A 18 ALA H . 18080 1 150 . 1 1 18 18 ALA HA H 1 4.200 0.000 . 1 . . . A 18 ALA HA . 18080 1 151 . 1 1 18 18 ALA HB1 H 1 1.579 0.000 . 1 . . . A 18 ALA HB1 . 18080 1 152 . 1 1 18 18 ALA HB2 H 1 1.579 0.000 . 1 . . . A 18 ALA HB3 . 18080 1 153 . 1 1 18 18 ALA HB3 H 1 1.579 0.000 . 1 . . . A 18 ALA HB3 . 18080 1 154 . 1 1 18 18 ALA CA C 13 52.412 0.000 . 1 . . . A 18 ALA CA . 18080 1 155 . 1 1 18 18 ALA CB C 13 16.212 0.000 . 1 . . . A 18 ALA CB . 18080 1 156 . 1 1 18 18 ALA N N 15 122.574 0.000 . 1 . . . A 18 ALA N . 18080 1 157 . 1 1 19 19 ILE H H 1 7.899 0.000 . 1 . . . A 19 ILE H . 18080 1 158 . 1 1 19 19 ILE HA H 1 3.898 0.000 . 1 . . . A 19 ILE HA . 18080 1 159 . 1 1 19 19 ILE HB H 1 2.133 0.000 . 1 . . . A 19 ILE HB . 18080 1 160 . 1 1 19 19 ILE HG13 H 1 1.839 0.000 . 2 . . . A 19 ILE HG13 . 18080 1 161 . 1 1 19 19 ILE HG21 H 1 1.069 0.000 . 1 . . . A 19 ILE HG21 . 18080 1 162 . 1 1 19 19 ILE HG22 H 1 1.069 0.000 . 1 . . . A 19 ILE HG22 . 18080 1 163 . 1 1 19 19 ILE HG23 H 1 1.069 0.000 . 1 . . . A 19 ILE HG23 . 18080 1 164 . 1 1 19 19 ILE HD11 H 1 0.990 0.000 . 1 . . . A 19 ILE HD11 . 18080 1 165 . 1 1 19 19 ILE HD12 H 1 0.990 0.000 . 1 . . . A 19 ILE HD12 . 18080 1 166 . 1 1 19 19 ILE HD13 H 1 0.990 0.000 . 1 . . . A 19 ILE HD13 . 18080 1 167 . 1 1 19 19 ILE CA C 13 61.770 0.000 . 1 . . . A 19 ILE CA . 18080 1 168 . 1 1 19 19 ILE CB C 13 35.134 0.000 . 1 . . . A 19 ILE CB . 18080 1 169 . 1 1 19 19 ILE CG1 C 13 26.553 0.000 . 1 . . . A 19 ILE CG1 . 18080 1 170 . 1 1 19 19 ILE CG2 C 13 15.343 0.000 . 1 . . . A 19 ILE CG2 . 18080 1 171 . 1 1 19 19 ILE CD1 C 13 10.376 0.000 . 1 . . . A 19 ILE CD1 . 18080 1 172 . 1 1 19 19 ILE N N 15 116.264 0.000 . 1 . . . A 19 ILE N . 18080 1 173 . 1 1 20 20 ILE H H 1 8.210 0.000 . 1 . . . A 20 ILE H . 18080 1 174 . 1 1 20 20 ILE HA H 1 3.839 0.000 . 1 . . . A 20 ILE HA . 18080 1 175 . 1 1 20 20 ILE HB H 1 2.110 0.000 . 1 . . . A 20 ILE HB . 18080 1 176 . 1 1 20 20 ILE HG13 H 1 1.898 0.000 . 1 . . . A 20 ILE HG13 . 18080 1 177 . 1 1 20 20 ILE HG21 H 1 1.014 0.000 . 1 . . . A 20 ILE HG21 . 18080 1 178 . 1 1 20 20 ILE HG22 H 1 1.014 0.000 . 1 . . . A 20 ILE HG22 . 18080 1 179 . 1 1 20 20 ILE HG23 H 1 1.014 0.000 . 1 . . . A 20 ILE HG23 . 18080 1 180 . 1 1 20 20 ILE HD11 H 1 0.979 0.000 . 1 . . . A 20 ILE HD11 . 18080 1 181 . 1 1 20 20 ILE HD12 H 1 0.979 0.000 . 1 . . . A 20 ILE HD12 . 18080 1 182 . 1 1 20 20 ILE HD13 H 1 0.979 0.000 . 1 . . . A 20 ILE HD13 . 18080 1 183 . 1 1 20 20 ILE CA C 13 62.615 0.000 . 1 . . . A 20 ILE CA . 18080 1 184 . 1 1 20 20 ILE CB C 13 34.972 0.000 . 1 . . . A 20 ILE CB . 18080 1 185 . 1 1 20 20 ILE CG1 C 13 26.816 0.000 . 1 . . . A 20 ILE CG1 . 18080 1 186 . 1 1 20 20 ILE CG2 C 13 15.151 0.000 . 1 . . . A 20 ILE CG2 . 18080 1 187 . 1 1 20 20 ILE CD1 C 13 10.600 0.000 . 1 . . . A 20 ILE CD1 . 18080 1 188 . 1 1 20 20 ILE N N 15 119.344 0.000 . 1 . . . A 20 ILE N . 18080 1 189 . 1 1 21 21 GLY H H 1 8.531 0.000 . 1 . . . A 21 GLY H . 18080 1 190 . 1 1 21 21 GLY HA2 H 1 3.749 0.000 . 1 . . . A 21 GLY HA2 . 18080 1 191 . 1 1 21 21 GLY HA3 H 1 3.749 0.000 . 1 . . . A 21 GLY HA3 . 18080 1 192 . 1 1 21 21 GLY CA C 13 45.299 0.000 . 1 . . . A 21 GLY CA . 18080 1 193 . 1 1 21 21 GLY N N 15 106.546 0.000 . 1 . . . A 21 GLY N . 18080 1 194 . 1 1 22 22 LEU H H 1 8.310 0.000 . 1 . . . A 22 LEU H . 18080 1 195 . 1 1 22 22 LEU HA H 1 4.122 0.000 . 1 . . . A 22 LEU HA . 18080 1 196 . 1 1 22 22 LEU HB3 H 1 1.712 0.000 . 2 . . . A 22 LEU HB3 . 18080 1 197 . 1 1 22 22 LEU HG H 1 1.953 0.000 . 1 . . . A 22 LEU HG . 18080 1 198 . 1 1 22 22 LEU HD11 H 1 0.986 0.000 . 1 . . . A 22 LEU HD11 . 18080 1 199 . 1 1 22 22 LEU HD12 H 1 0.986 0.000 . 1 . . . A 22 LEU HD12 . 18080 1 200 . 1 1 22 22 LEU HD13 H 1 0.986 0.000 . 1 . . . A 22 LEU HD13 . 18080 1 201 . 1 1 22 22 LEU CA C 13 55.894 0.000 . 1 . . . A 22 LEU CA . 18080 1 202 . 1 1 22 22 LEU CB C 13 39.708 0.000 . 1 . . . A 22 LEU CB . 18080 1 203 . 1 1 22 22 LEU CG C 13 24.534 0.000 . 1 . . . A 22 LEU CG . 18080 1 204 . 1 1 22 22 LEU CD1 C 13 21.959 0.000 . 1 . . . A 22 LEU CD1 . 18080 1 205 . 1 1 22 22 LEU N N 15 120.869 0.000 . 1 . . . A 22 LEU N . 18080 1 206 . 1 1 23 23 MET H H 1 8.263 0.000 . 1 . . . A 23 MET H . 18080 1 207 . 1 1 23 23 MET HA H 1 4.167 0.000 . 1 . . . A 23 MET HA . 18080 1 208 . 1 1 23 23 MET HB3 H 1 2.414 0.000 . 2 . . . A 23 MET HB3 . 18080 1 209 . 1 1 23 23 MET HG3 H 1 2.503 0.000 . 2 . . . A 23 MET HG3 . 18080 1 210 . 1 1 23 23 MET CA C 13 56.961 0.000 . 1 . . . A 23 MET CA . 18080 1 211 . 1 1 23 23 MET CB C 13 30.421 0.000 . 1 . . . A 23 MET CB . 18080 1 212 . 1 1 23 23 MET CG C 13 30.513 0.000 . 1 . . . A 23 MET CG . 18080 1 213 . 1 1 23 23 MET N N 15 117.191 0.000 . 1 . . . A 23 MET N . 18080 1 214 . 1 1 24 24 VAL H H 1 8.682 0.000 . 1 . . . A 24 VAL H . 18080 1 215 . 1 1 24 24 VAL HA H 1 3.601 0.000 . 1 . . . A 24 VAL HA . 18080 1 216 . 1 1 24 24 VAL HB H 1 2.290 0.000 . 1 . . . A 24 VAL HB . 18080 1 217 . 1 1 24 24 VAL HG11 H 1 0.962 0.000 . 1 . . . A 24 VAL HG11 . 18080 1 218 . 1 1 24 24 VAL HG12 H 1 0.962 0.000 . 1 . . . A 24 VAL HG13 . 18080 1 219 . 1 1 24 24 VAL HG13 H 1 0.962 0.000 . 1 . . . A 24 VAL HG13 . 18080 1 220 . 1 1 24 24 VAL HG21 H 1 1.142 0.000 . 1 . . . A 24 VAL HG21 . 18080 1 221 . 1 1 24 24 VAL HG22 H 1 1.142 0.000 . 1 . . . A 24 VAL HG22 . 18080 1 222 . 1 1 24 24 VAL HG23 H 1 1.142 0.000 . 1 . . . A 24 VAL HG23 . 18080 1 223 . 1 1 24 24 VAL CA C 13 64.681 0.000 . 1 . . . A 24 VAL CA . 18080 1 224 . 1 1 24 24 VAL CB C 13 28.867 0.000 . 1 . . . A 24 VAL CB . 18080 1 225 . 1 1 24 24 VAL CG1 C 13 18.855 0.000 . 1 . . . A 24 VAL CG1 . 18080 1 226 . 1 1 24 24 VAL CG2 C 13 20.841 0.000 . 1 . . . A 24 VAL CG2 . 18080 1 227 . 1 1 24 24 VAL N N 15 117.660 0.000 . 1 . . . A 24 VAL N . 18080 1 228 . 1 1 25 25 GLY H H 1 8.774 0.000 . 1 . . . A 25 GLY H . 18080 1 229 . 1 1 25 25 GLY HA2 H 1 3.669 0.000 . 1 . . . A 25 GLY HA2 . 18080 1 230 . 1 1 25 25 GLY HA3 H 1 3.669 0.000 . 1 . . . A 25 GLY HA3 . 18080 1 231 . 1 1 25 25 GLY CA C 13 45.063 0.000 . 1 . . . A 25 GLY CA . 18080 1 232 . 1 1 25 25 GLY N N 15 106.038 0.000 . 1 . . . A 25 GLY N . 18080 1 233 . 1 1 26 26 GLY H H 1 8.806 0.000 . 1 . . . A 26 GLY H . 18080 1 234 . 1 1 26 26 GLY HA2 H 1 3.711 0.000 . 1 . . . A 26 GLY HA2 . 18080 1 235 . 1 1 26 26 GLY HA3 H 1 3.711 0.000 . 1 . . . A 26 GLY HA3 . 18080 1 236 . 1 1 26 26 GLY CA C 13 44.968 0.000 . 1 . . . A 26 GLY CA . 18080 1 237 . 1 1 26 26 GLY N N 15 108.191 0.000 . 1 . . . A 26 GLY N . 18080 1 238 . 1 1 27 27 VAL H H 1 8.280 0.000 . 1 . . . A 27 VAL H . 18080 1 239 . 1 1 27 27 VAL HA H 1 3.697 0.000 . 1 . . . A 27 VAL HA . 18080 1 240 . 1 1 27 27 VAL HB H 1 2.377 0.000 . 1 . . . A 27 VAL HB . 18080 1 241 . 1 1 27 27 VAL HG11 H 1 1.138 0.000 . 1 . . . A 27 VAL HG11 . 18080 1 242 . 1 1 27 27 VAL HG12 H 1 1.138 0.000 . 1 . . . A 27 VAL HG13 . 18080 1 243 . 1 1 27 27 VAL HG13 H 1 1.138 0.000 . 1 . . . A 27 VAL HG13 . 18080 1 244 . 1 1 27 27 VAL HG21 H 1 0.977 0.000 . 1 . . . A 27 VAL HG21 . 18080 1 245 . 1 1 27 27 VAL HG22 H 1 0.977 0.000 . 1 . . . A 27 VAL HG22 . 18080 1 246 . 1 1 27 27 VAL HG23 H 1 0.977 0.000 . 1 . . . A 27 VAL HG23 . 18080 1 247 . 1 1 27 27 VAL CA C 13 64.557 0.000 . 1 . . . A 27 VAL CA . 18080 1 248 . 1 1 27 27 VAL CB C 13 28.836 0.000 . 1 . . . A 27 VAL CB . 18080 1 249 . 1 1 27 27 VAL CG1 C 13 20.692 0.000 . 1 . . . A 27 VAL CG1 . 18080 1 250 . 1 1 27 27 VAL CG2 C 13 18.824 0.000 . 1 . . . A 27 VAL CG2 . 18080 1 251 . 1 1 27 27 VAL N N 15 120.729 0.000 . 1 . . . A 27 VAL N . 18080 1 252 . 1 1 28 28 VAL H H 1 8.577 0.000 . 1 . . . A 28 VAL H . 18080 1 253 . 1 1 28 28 VAL HA H 1 3.563 0.000 . 1 . . . A 28 VAL HA . 18080 1 254 . 1 1 28 28 VAL HB H 1 2.386 0.000 . 1 . . . A 28 VAL HB . 18080 1 255 . 1 1 28 28 VAL HG11 H 1 1.103 0.000 . 1 . . . A 28 VAL HG11 . 18080 1 256 . 1 1 28 28 VAL HG12 H 1 1.103 0.000 . 1 . . . A 28 VAL HG13 . 18080 1 257 . 1 1 28 28 VAL HG13 H 1 1.103 0.000 . 1 . . . A 28 VAL HG13 . 18080 1 258 . 1 1 28 28 VAL HG21 H 1 0.925 0.000 . 1 . . . A 28 VAL HG21 . 18080 1 259 . 1 1 28 28 VAL HG22 H 1 0.925 0.000 . 1 . . . A 28 VAL HG22 . 18080 1 260 . 1 1 28 28 VAL HG23 H 1 0.925 0.000 . 1 . . . A 28 VAL HG23 . 18080 1 261 . 1 1 28 28 VAL CA C 13 65.280 0.000 . 1 . . . A 28 VAL CA . 18080 1 262 . 1 1 28 28 VAL CB C 13 28.839 0.000 . 1 . . . A 28 VAL CB . 18080 1 263 . 1 1 28 28 VAL CG1 C 13 20.598 0.000 . 1 . . . A 28 VAL CG1 . 18080 1 264 . 1 1 28 28 VAL CG2 C 13 18.842 0.000 . 1 . . . A 28 VAL CG2 . 18080 1 265 . 1 1 28 28 VAL N N 15 122.275 0.000 . 1 . . . A 28 VAL N . 18080 1 266 . 1 1 29 29 ILE H H 1 8.527 0.000 . 1 . . . A 29 ILE H . 18080 1 267 . 1 1 29 29 ILE HA H 1 3.661 0.000 . 1 . . . A 29 ILE HA . 18080 1 268 . 1 1 29 29 ILE HB H 1 2.044 0.000 . 1 . . . A 29 ILE HB . 18080 1 269 . 1 1 29 29 ILE HG13 H 1 1.841 0.000 . 2 . . . A 29 ILE HG13 . 18080 1 270 . 1 1 29 29 ILE HG21 H 1 0.943 0.000 . 1 . . . A 29 ILE HG21 . 18080 1 271 . 1 1 29 29 ILE HG22 H 1 0.943 0.000 . 1 . . . A 29 ILE HG22 . 18080 1 272 . 1 1 29 29 ILE HG23 H 1 0.943 0.000 . 1 . . . A 29 ILE HG23 . 18080 1 273 . 1 1 29 29 ILE HD11 H 1 0.838 0.000 . 1 . . . A 29 ILE HD11 . 18080 1 274 . 1 1 29 29 ILE HD12 H 1 0.838 0.000 . 1 . . . A 29 ILE HD12 . 18080 1 275 . 1 1 29 29 ILE HD13 H 1 0.838 0.000 . 1 . . . A 29 ILE HD13 . 18080 1 276 . 1 1 29 29 ILE CA C 13 63.131 0.000 . 1 . . . A 29 ILE CA . 18080 1 277 . 1 1 29 29 ILE CB C 13 34.769 0.000 . 1 . . . A 29 ILE CB . 18080 1 278 . 1 1 29 29 ILE CG1 C 13 27.009 0.000 . 1 . . . A 29 ILE CG1 . 18080 1 279 . 1 1 29 29 ILE CG2 C 13 14.864 0.000 . 1 . . . A 29 ILE CG2 . 18080 1 280 . 1 1 29 29 ILE CD1 C 13 10.039 0.000 . 1 . . . A 29 ILE CD1 . 18080 1 281 . 1 1 29 29 ILE N N 15 118.627 0.000 . 1 . . . A 29 ILE N . 18080 1 282 . 1 1 30 30 ALA H H 1 8.645 0.000 . 1 . . . A 30 ALA H . 18080 1 283 . 1 1 30 30 ALA HA H 1 3.973 0.000 . 1 . . . A 30 ALA HA . 18080 1 284 . 1 1 30 30 ALA HB1 H 1 1.507 0.000 . 1 . . . A 30 ALA HB1 . 18080 1 285 . 1 1 30 30 ALA HB2 H 1 1.507 0.000 . 1 . . . A 30 ALA HB3 . 18080 1 286 . 1 1 30 30 ALA HB3 H 1 1.507 0.000 . 1 . . . A 30 ALA HB3 . 18080 1 287 . 1 1 30 30 ALA CA C 13 53.382 0.000 . 1 . . . A 30 ALA CA . 18080 1 288 . 1 1 30 30 ALA CB C 13 15.554 0.000 . 1 . . . A 30 ALA CB . 18080 1 289 . 1 1 30 30 ALA N N 15 120.541 0.000 . 1 . . . A 30 ALA N . 18080 1 290 . 1 1 31 31 THR H H 1 8.238 0.000 . 1 . . . A 31 THR H . 18080 1 291 . 1 1 31 31 THR HA H 1 3.775 0.000 . 1 . . . A 31 THR HA . 18080 1 292 . 1 1 31 31 THR HB H 1 4.399 0.000 . 1 . . . A 31 THR HB . 18080 1 293 . 1 1 31 31 THR HG21 H 1 1.212 0.000 . 1 . . . A 31 THR HG21 . 18080 1 294 . 1 1 31 31 THR HG22 H 1 1.212 0.000 . 1 . . . A 31 THR HG22 . 18080 1 295 . 1 1 31 31 THR HG23 H 1 1.212 0.000 . 1 . . . A 31 THR HG23 . 18080 1 296 . 1 1 31 31 THR CA C 13 66.027 0.000 . 1 . . . A 31 THR CA . 18080 1 297 . 1 1 31 31 THR CB C 13 65.255 0.000 . 1 . . . A 31 THR CB . 18080 1 298 . 1 1 31 31 THR CG2 C 13 19.020 0.000 . 1 . . . A 31 THR CG2 . 18080 1 299 . 1 1 31 31 THR N N 15 113.932 0.000 . 1 . . . A 31 THR N . 18080 1 300 . 1 1 32 32 VAL H H 1 8.324 0.000 . 1 . . . A 32 VAL H . 18080 1 301 . 1 1 32 32 VAL HA H 1 3.609 0.000 . 1 . . . A 32 VAL HA . 18080 1 302 . 1 1 32 32 VAL HB H 1 2.370 0.000 . 1 . . . A 32 VAL HB . 18080 1 303 . 1 1 32 32 VAL HG11 H 1 1.121 0.000 . 2 . . . A 32 VAL HG11 . 18080 1 304 . 1 1 32 32 VAL HG12 H 1 1.121 0.000 . 2 . . . A 32 VAL HG13 . 18080 1 305 . 1 1 32 32 VAL HG13 H 1 1.121 0.000 . 2 . . . A 32 VAL HG13 . 18080 1 306 . 1 1 32 32 VAL HG21 H 1 0.980 0.000 . 2 . . . A 32 VAL HG21 . 18080 1 307 . 1 1 32 32 VAL HG22 H 1 0.980 0.000 . 2 . . . A 32 VAL HG22 . 18080 1 308 . 1 1 32 32 VAL HG23 H 1 0.980 0.000 . 2 . . . A 32 VAL HG23 . 18080 1 309 . 1 1 32 32 VAL CA C 13 64.669 0.000 . 1 . . . A 32 VAL CA . 18080 1 310 . 1 1 32 32 VAL CB C 13 28.895 0.000 . 1 . . . A 32 VAL CB . 18080 1 311 . 1 1 32 32 VAL CG1 C 13 20.428 0.000 . 1 . . . A 32 VAL CG1 . 18080 1 312 . 1 1 32 32 VAL CG2 C 13 18.950 0.000 . 1 . . . A 32 VAL CG2 . 18080 1 313 . 1 1 32 32 VAL N N 15 120.206 0.000 . 1 . . . A 32 VAL N . 18080 1 314 . 1 1 33 33 ILE H H 1 8.520 0.000 . 1 . . . A 33 ILE H . 18080 1 315 . 1 1 33 33 ILE HA H 1 3.657 0.000 . 1 . . . A 33 ILE HA . 18080 1 316 . 1 1 33 33 ILE HB H 1 2.188 0.000 . 1 . . . A 33 ILE HB . 18080 1 317 . 1 1 33 33 ILE HG12 H 1 2.021 0.000 . 2 . . . A 33 ILE HG13 . 18080 1 318 . 1 1 33 33 ILE HG13 H 1 2.021 0.000 . 2 . . . A 33 ILE HG13 . 18080 1 319 . 1 1 33 33 ILE HG21 H 1 0.954 0.000 . 1 . . . A 33 ILE HG21 . 18080 1 320 . 1 1 33 33 ILE HG22 H 1 0.954 0.000 . 1 . . . A 33 ILE HG22 . 18080 1 321 . 1 1 33 33 ILE HG23 H 1 0.954 0.000 . 1 . . . A 33 ILE HG23 . 18080 1 322 . 1 1 33 33 ILE HD11 H 1 0.868 0.000 . 1 . . . A 33 ILE HD11 . 18080 1 323 . 1 1 33 33 ILE HD12 H 1 0.868 0.000 . 1 . . . A 33 ILE HD12 . 18080 1 324 . 1 1 33 33 ILE HD13 H 1 0.868 0.000 . 1 . . . A 33 ILE HD13 . 18080 1 325 . 1 1 33 33 ILE CA C 13 63.841 0.000 . 1 . . . A 33 ILE CA . 18080 1 326 . 1 1 33 33 ILE CB C 13 34.915 0.000 . 1 . . . A 33 ILE CB . 18080 1 327 . 1 1 33 33 ILE CG2 C 13 14.741 0.000 . 1 . . . A 33 ILE CG2 . 18080 1 328 . 1 1 33 33 ILE CD1 C 13 10.957 0.000 . 1 . . . A 33 ILE CD1 . 18080 1 329 . 1 1 33 33 ILE N N 15 121.976 0.000 . 1 . . . A 33 ILE N . 18080 1 330 . 1 1 34 34 VAL H H 1 8.539 0.000 . 1 . . . A 34 VAL H . 18080 1 331 . 1 1 34 34 VAL HA H 1 3.638 0.000 . 1 . . . A 34 VAL HA . 18080 1 332 . 1 1 34 34 VAL HB H 1 2.377 0.000 . 1 . . . A 34 VAL HB . 18080 1 333 . 1 1 34 34 VAL HG11 H 1 1.190 0.000 . 2 . . . A 34 VAL HG11 . 18080 1 334 . 1 1 34 34 VAL HG12 H 1 1.190 0.000 . 2 . . . A 34 VAL HG13 . 18080 1 335 . 1 1 34 34 VAL HG13 H 1 1.190 0.000 . 2 . . . A 34 VAL HG13 . 18080 1 336 . 1 1 34 34 VAL HG21 H 1 1.040 0.000 . 2 . . . A 34 VAL HG21 . 18080 1 337 . 1 1 34 34 VAL HG22 H 1 1.040 0.000 . 2 . . . A 34 VAL HG22 . 18080 1 338 . 1 1 34 34 VAL HG23 H 1 1.040 0.000 . 2 . . . A 34 VAL HG23 . 18080 1 339 . 1 1 34 34 VAL CA C 13 65.678 0.000 . 1 . . . A 34 VAL CA . 18080 1 340 . 1 1 34 34 VAL CB C 13 28.816 0.000 . 1 . . . A 34 VAL CB . 18080 1 341 . 1 1 34 34 VAL CG1 C 13 20.968 0.000 . 1 . . . A 34 VAL CG1 . 18080 1 342 . 1 1 34 34 VAL CG2 C 13 19.291 0.000 . 1 . . . A 34 VAL CG2 . 18080 1 343 . 1 1 34 34 VAL N N 15 119.099 0.000 . 1 . . . A 34 VAL N . 18080 1 344 . 1 1 35 35 ILE H H 1 8.690 0.000 . 1 . . . A 35 ILE H . 18080 1 345 . 1 1 35 35 ILE HA H 1 3.666 0.000 . 1 . . . A 35 ILE HA . 18080 1 346 . 1 1 35 35 ILE HB H 1 2.044 0.000 . 1 . . . A 35 ILE HB . 18080 1 347 . 1 1 35 35 ILE HG13 H 1 2.004 0.000 . 2 . . . A 35 ILE HG13 . 18080 1 348 . 1 1 35 35 ILE HG21 H 1 1.019 0.000 . 1 . . . A 35 ILE HG21 . 18080 1 349 . 1 1 35 35 ILE HG22 H 1 1.019 0.000 . 1 . . . A 35 ILE HG22 . 18080 1 350 . 1 1 35 35 ILE HG23 H 1 1.019 0.000 . 1 . . . A 35 ILE HG23 . 18080 1 351 . 1 1 35 35 ILE HD11 H 1 0.884 0.000 . 1 . . . A 35 ILE HD11 . 18080 1 352 . 1 1 35 35 ILE HD12 H 1 0.884 0.000 . 1 . . . A 35 ILE HD12 . 18080 1 353 . 1 1 35 35 ILE HD13 H 1 0.884 0.000 . 1 . . . A 35 ILE HD13 . 18080 1 354 . 1 1 35 35 ILE CA C 13 63.336 0.000 . 1 . . . A 35 ILE CA . 18080 1 355 . 1 1 35 35 ILE CB C 13 35.060 0.000 . 1 . . . A 35 ILE CB . 18080 1 356 . 1 1 35 35 ILE CG1 C 13 26.963 0.000 . 1 . . . A 35 ILE CG1 . 18080 1 357 . 1 1 35 35 ILE CG2 C 13 15.215 0.000 . 1 . . . A 35 ILE CG2 . 18080 1 358 . 1 1 35 35 ILE CD1 C 13 11.150 0.000 . 1 . . . A 35 ILE CD1 . 18080 1 359 . 1 1 35 35 ILE N N 15 117.727 0.000 . 1 . . . A 35 ILE N . 18080 1 360 . 1 1 36 36 THR H H 1 8.267 0.000 . 1 . . . A 36 THR H . 18080 1 361 . 1 1 36 36 THR HA H 1 3.776 0.000 . 1 . . . A 36 THR HA . 18080 1 362 . 1 1 36 36 THR HB H 1 4.410 0.000 . 1 . . . A 36 THR HB . 18080 1 363 . 1 1 36 36 THR HG21 H 1 1.211 0.000 . 1 . . . A 36 THR HG21 . 18080 1 364 . 1 1 36 36 THR HG22 H 1 1.211 0.000 . 1 . . . A 36 THR HG22 . 18080 1 365 . 1 1 36 36 THR HG23 H 1 1.211 0.000 . 1 . . . A 36 THR HG23 . 18080 1 366 . 1 1 36 36 THR CA C 13 66.196 0.000 . 1 . . . A 36 THR CA . 18080 1 367 . 1 1 36 36 THR CB C 13 65.191 0.000 . 1 . . . A 36 THR CB . 18080 1 368 . 1 1 36 36 THR CG2 C 13 18.879 0.000 . 1 . . . A 36 THR CG2 . 18080 1 369 . 1 1 36 36 THR N N 15 116.743 0.000 . 1 . . . A 36 THR N . 18080 1 370 . 1 1 37 37 LEU H H 1 8.439 0.000 . 1 . . . A 37 LEU H . 18080 1 371 . 1 1 37 37 LEU HA H 1 4.122 0.000 . 1 . . . A 37 LEU HA . 18080 1 372 . 1 1 37 37 LEU HB3 H 1 2.133 0.000 . 1 . . . A 37 LEU HB3 . 18080 1 373 . 1 1 37 37 LEU HG H 1 2.067 0.000 . 1 . . . A 37 LEU HG . 18080 1 374 . 1 1 37 37 LEU HD11 H 1 0.977 0.000 . 2 . . . A 37 LEU HD11 . 18080 1 375 . 1 1 37 37 LEU HD12 H 1 0.977 0.000 . 2 . . . A 37 LEU HD12 . 18080 1 376 . 1 1 37 37 LEU HD13 H 1 0.977 0.000 . 2 . . . A 37 LEU HD13 . 18080 1 377 . 1 1 37 37 LEU HD21 H 1 0.995 0.000 . 2 . . . A 37 LEU HD21 . 18080 1 378 . 1 1 37 37 LEU HD22 H 1 0.995 0.000 . 2 . . . A 37 LEU HD22 . 18080 1 379 . 1 1 37 37 LEU HD23 H 1 0.995 0.000 . 2 . . . A 37 LEU HD23 . 18080 1 380 . 1 1 37 37 LEU CA C 13 56.069 0.000 . 1 . . . A 37 LEU CA . 18080 1 381 . 1 1 37 37 LEU CB C 13 39.675 0.000 . 1 . . . A 37 LEU CB . 18080 1 382 . 1 1 37 37 LEU CG C 13 24.548 0.000 . 1 . . . A 37 LEU CG . 18080 1 383 . 1 1 37 37 LEU CD1 C 13 20.921 0.000 . 1 . . . A 37 LEU CD1 . 18080 1 384 . 1 1 37 37 LEU CD2 C 13 23.571 0.000 . 1 . . . A 37 LEU CD2 . 18080 1 385 . 1 1 37 37 LEU N N 15 120.103 0.000 . 1 . . . A 37 LEU N . 18080 1 386 . 1 1 38 38 VAL H H 1 8.470 0.000 . 1 . . . A 38 VAL H . 18080 1 387 . 1 1 38 38 VAL HA H 1 3.722 0.000 . 1 . . . A 38 VAL HA . 18080 1 388 . 1 1 38 38 VAL HB H 1 2.408 0.000 . 1 . . . A 38 VAL HB . 18080 1 389 . 1 1 38 38 VAL HG11 H 1 1.186 0.000 . 1 . . . A 38 VAL HG11 . 18080 1 390 . 1 1 38 38 VAL HG12 H 1 1.186 0.000 . 1 . . . A 38 VAL HG13 . 18080 1 391 . 1 1 38 38 VAL HG13 H 1 1.186 0.000 . 1 . . . A 38 VAL HG13 . 18080 1 392 . 1 1 38 38 VAL HG21 H 1 1.043 0.000 . 1 . . . A 38 VAL HG21 . 18080 1 393 . 1 1 38 38 VAL HG22 H 1 1.043 0.000 . 1 . . . A 38 VAL HG22 . 18080 1 394 . 1 1 38 38 VAL HG23 H 1 1.043 0.000 . 1 . . . A 38 VAL HG23 . 18080 1 395 . 1 1 38 38 VAL CA C 13 64.267 0.000 . 1 . . . A 38 VAL CA . 18080 1 396 . 1 1 38 38 VAL CB C 13 28.942 0.000 . 1 . . . A 38 VAL CB . 18080 1 397 . 1 1 38 38 VAL CG1 C 13 20.886 0.000 . 1 . . . A 38 VAL CG1 . 18080 1 398 . 1 1 38 38 VAL CG2 C 13 19.298 0.000 . 1 . . . A 38 VAL CG2 . 18080 1 399 . 1 1 38 38 VAL N N 15 117.700 0.000 . 1 . . . A 38 VAL N . 18080 1 400 . 1 1 39 39 MET H H 1 8.513 0.000 . 1 . . . A 39 MET H . 18080 1 401 . 1 1 39 39 MET HA H 1 4.351 0.000 . 1 . . . A 39 MET HA . 18080 1 402 . 1 1 39 39 MET HB3 H 1 2.410 0.000 . 2 . . . A 39 MET HB3 . 18080 1 403 . 1 1 39 39 MET HG3 H 1 2.794 0.000 . 1 . . . A 39 MET HG3 . 18080 1 404 . 1 1 39 39 MET CA C 13 55.609 0.000 . 1 . . . A 39 MET CA . 18080 1 405 . 1 1 39 39 MET CB C 13 29.560 0.000 . 1 . . . A 39 MET CB . 18080 1 406 . 1 1 39 39 MET CG C 13 30.560 0.000 . 1 . . . A 39 MET CG . 18080 1 407 . 1 1 39 39 MET N N 15 117.431 0.000 . 1 . . . A 39 MET N . 18080 1 408 . 1 1 40 40 LEU H H 1 8.399 0.000 . 1 . . . A 40 LEU H . 18080 1 409 . 1 1 40 40 LEU HA H 1 4.329 0.000 . 1 . . . A 40 LEU HA . 18080 1 410 . 1 1 40 40 LEU HB3 H 1 2.042 0.000 . 2 . . . A 40 LEU HB3 . 18080 1 411 . 1 1 40 40 LEU HG H 1 2.065 0.000 . 1 . . . A 40 LEU HG . 18080 1 412 . 1 1 40 40 LEU HD11 H 1 1.006 0.000 . 1 . . . A 40 LEU HD11 . 18080 1 413 . 1 1 40 40 LEU HD12 H 1 1.006 0.000 . 1 . . . A 40 LEU HD12 . 18080 1 414 . 1 1 40 40 LEU HD13 H 1 1.006 0.000 . 1 . . . A 40 LEU HD13 . 18080 1 415 . 1 1 40 40 LEU CA C 13 54.309 0.000 . 1 . . . A 40 LEU CA . 18080 1 416 . 1 1 40 40 LEU CB C 13 39.694 0.000 . 1 . . . A 40 LEU CB . 18080 1 417 . 1 1 40 40 LEU CG C 13 24.533 0.000 . 1 . . . A 40 LEU CG . 18080 1 418 . 1 1 40 40 LEU CD1 C 13 20.939 0.000 . 1 . . . A 40 LEU CD1 . 18080 1 419 . 1 1 40 40 LEU N N 15 117.760 0.000 . 1 . . . A 40 LEU N . 18080 1 420 . 1 1 41 41 LYS H H 1 7.928 0.000 . 1 . . . A 41 LYS H . 18080 1 421 . 1 1 41 41 LYS HA H 1 4.343 0.000 . 1 . . . A 41 LYS HA . 18080 1 422 . 1 1 41 41 LYS HB3 H 1 2.069 0.000 . 1 . . . A 41 LYS HB3 . 18080 1 423 . 1 1 41 41 LYS HG3 H 1 1.627 0.000 . 1 . . . A 41 LYS HG3 . 18080 1 424 . 1 1 41 41 LYS HD3 H 1 1.811 0.000 . 1 . . . A 41 LYS HD3 . 18080 1 425 . 1 1 41 41 LYS HE3 H 1 3.107 0.000 . 1 . . . A 41 LYS HE3 . 18080 1 426 . 1 1 41 41 LYS CA C 13 54.375 0.000 . 1 . . . A 41 LYS CA . 18080 1 427 . 1 1 41 41 LYS CB C 13 30.149 0.000 . 1 . . . A 41 LYS CB . 18080 1 428 . 1 1 41 41 LYS CG C 13 22.619 0.000 . 1 . . . A 41 LYS CG . 18080 1 429 . 1 1 41 41 LYS CD C 13 26.740 0.000 . 1 . . . A 41 LYS CD . 18080 1 430 . 1 1 41 41 LYS CE C 13 39.561 0.000 . 1 . . . A 41 LYS CE . 18080 1 431 . 1 1 41 41 LYS N N 15 117.042 0.000 . 1 . . . A 41 LYS N . 18080 1 432 . 1 1 42 42 LYS H H 1 8.056 0.000 . 1 . . . A 42 LYS H . 18080 1 433 . 1 1 42 42 LYS HA H 1 4.411 0.000 . 1 . . . A 42 LYS HA . 18080 1 434 . 1 1 42 42 LYS HB3 H 1 1.962 0.000 . 2 . . . A 42 LYS HB3 . 18080 1 435 . 1 1 42 42 LYS HG3 H 1 1.613 0.000 . 1 . . . A 42 LYS HG3 . 18080 1 436 . 1 1 42 42 LYS HD3 H 1 1.805 0.000 . 1 . . . A 42 LYS HD3 . 18080 1 437 . 1 1 42 42 LYS HE3 H 1 3.086 0.000 . 1 . . . A 42 LYS HE3 . 18080 1 438 . 1 1 42 42 LYS CA C 13 53.997 0.000 . 1 . . . A 42 LYS CA . 18080 1 439 . 1 1 42 42 LYS CB C 13 30.417 0.000 . 1 . . . A 42 LYS CB . 18080 1 440 . 1 1 42 42 LYS CG C 13 22.466 0.000 . 1 . . . A 42 LYS CG . 18080 1 441 . 1 1 42 42 LYS CD C 13 26.448 0.000 . 1 . . . A 42 LYS CD . 18080 1 442 . 1 1 42 42 LYS CE C 13 39.437 0.000 . 1 . . . A 42 LYS CE . 18080 1 443 . 1 1 42 42 LYS N N 15 119.285 0.000 . 1 . . . A 42 LYS N . 18080 1 444 . 1 1 43 43 LYS H H 1 8.017 0.000 . 1 . . . A 43 LYS H . 18080 1 445 . 1 1 43 43 LYS HA H 1 4.400 0.000 . 1 . . . A 43 LYS HA . 18080 1 446 . 1 1 43 43 LYS HB3 H 1 2.045 0.000 . 2 . . . A 43 LYS HB3 . 18080 1 447 . 1 1 43 43 LYS HG3 H 1 1.615 0.000 . 1 . . . A 43 LYS HG3 . 18080 1 448 . 1 1 43 43 LYS HD3 H 1 1.805 0.000 . 1 . . . A 43 LYS HD3 . 18080 1 449 . 1 1 43 43 LYS HE3 H 1 3.097 0.000 . 1 . . . A 43 LYS HE3 . 18080 1 450 . 1 1 43 43 LYS CA C 13 53.859 0.000 . 1 . . . A 43 LYS CA . 18080 1 451 . 1 1 43 43 LYS CB C 13 30.407 0.000 . 1 . . . A 43 LYS CB . 18080 1 452 . 1 1 43 43 LYS CG C 13 22.322 0.000 . 1 . . . A 43 LYS CG . 18080 1 453 . 1 1 43 43 LYS CD C 13 26.516 0.000 . 1 . . . A 43 LYS CD . 18080 1 454 . 1 1 43 43 LYS CE C 13 39.505 0.000 . 1 . . . A 43 LYS CE . 18080 1 455 . 1 1 43 43 LYS N N 15 122.664 0.000 . 1 . . . A 43 LYS N . 18080 1 stop_ save_