data_15252 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15252 _Entry.Title ; Solution Structure of T4 Bacteriophage Helicase Uvsw.1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-05-17 _Entry.Accession_date 2007-05-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.78 _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 Sivashankar Sivakolundu . G. . 15252 2 Tracy Lee . . . 15252 3 Stephen White . W. . 15252 4 Richard Kriwacki . W. . 15252 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'bacteriophage helicase' . 15252 uvsw . 15252 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15252 heteronucl_NOEs 1 15252 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 231 15252 '15N chemical shifts' 78 15252 '1H chemical shifts' 442 15252 'heteronuclear NOE values' 72 15252 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 . . 2008-07-02 2007-05-17 update BMRB 'complete entry citation' 15252 1 . . 2007-10-29 2007-05-17 original author 'original release' 15252 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JPN 'BMRB Entry Tracking System' 15252 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15252 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17878153 _Citation.Full_citation . _Citation.Title 'Crystallographic and NMR analyses of UvsW and UvsW.1 from bacteriophage T4' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 282 _Citation.Journal_issue 47 _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 34392 _Citation.Page_last 34400 _Citation.Year 2007 _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 Iain Kerr . D. . 15252 1 2 Sivashankar Sivakolundu . . . 15252 1 3 Zhenmei Li . . . 15252 1 4 Jeffrey Buchsbaum . C. . 15252 1 5 Luke Knox . A. . 15252 1 6 Richard Kriwacki . . . 15252 1 7 Stephen White . W. . 15252 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15252 _Assembly.ID 1 _Assembly.Name UvsW.1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 9000 _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 'subunit 1' 1 $UvsW.1 A . yes native no no . . . 15252 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_UvsW.1 _Entity.Sf_category entity _Entity.Sf_framecode UvsW.1 _Entity.Entry_ID 15252 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name UvsW.1 _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 ; GSHMLLEFKQFLYEASIDEF MGKIASCQTLEGLEELEAYY KKRVKETELKDTDDISVRDA LAGKRAELEDSDDEVEESF ; _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 79 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9096.122 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2JPN . "Solution Structure Of T4 Bacteriophage Helicase Uvsw.1" . . . . . 100.00 79 100.00 100.00 1.13e-46 . . . . 15252 1 2 no DBJ BAI83196 . "ATP-dependent DNA helicase uvsW [Enterobacteria phage AR1]" . . . . . 97.47 77 97.40 98.70 1.55e-41 . . . . 15252 1 3 no EMBL CCI89077 . "DNA helicase, phage-associated [Yersinia phage phiD1]" . . . . . 96.20 76 100.00 100.00 1.13e-43 . . . . 15252 1 4 no EMBL CUL01145 . "UvsW RNA-DNA and DNA-DNA helicase, ATPase [Enterobacteria phage T4] [Escherichia phage slur02]" . . . . . 96.20 76 100.00 100.00 1.13e-43 . . . . 15252 1 5 no EMBL CUL01694 . "UvsW RNA-DNA and DNA-DNA helicase, ATPase [Enterobacteria phage T4] [Escherichia phage slur03]" . . . . . 96.20 76 98.68 98.68 9.71e-43 . . . . 15252 1 6 no EMBL CUL02025 . "ATP-dependent DNA helicase UvsW [Escherichia phage slur04]" . . . . . 96.20 76 100.00 100.00 1.13e-43 . . . . 15252 1 7 no EMBL CUL02331 . "ATP-dependent DNA helicase UvsW [Escherichia phage slur07]" . . . . . 96.20 76 100.00 100.00 1.13e-43 . . . . 15252 1 8 no GB AAD42668 . "UvsW RNA-DNA and DNA-DNA helicase, ATPase [Enterobacteria phage T4]" . . . . . 96.20 587 100.00 100.00 1.15e-40 . . . . 15252 1 9 no GB ABI95005 . "hypothetical protein RB32ORF181w [Enterobacteria phage RB32]" . . . . . 96.20 76 100.00 100.00 1.13e-43 . . . . 15252 1 10 no GB ACP30825 . "uvsW.1 conserved hypothetical protein [Enterobacteria phage RB14]" . . . . . 96.20 76 100.00 100.00 1.13e-43 . . . . 15252 1 11 no GB ACP31101 . "uvsW.1 conserved hypothetical protein [Enterobacteria phage RB51]" . . . . . 96.20 76 98.68 100.00 2.03e-43 . . . . 15252 1 12 no GB ADJ39905 . "hypothetical protein T4Tp188 [Enterobacteria phage T4T]" . . . . . 96.20 76 100.00 100.00 1.13e-43 . . . . 15252 1 13 no REF NP_049796 . "UvsW RNA-DNA and DNA-DNA helicase, ATPase [Enterobacteria phage T4]" . . . . . 96.20 587 100.00 100.00 1.15e-40 . . . . 15252 1 14 no REF YP_002854138 . "uvsW.1 conserved hypothetical protein [Enterobacteria phage RB51]" . . . . . 96.20 76 98.68 100.00 2.03e-43 . . . . 15252 1 15 no REF YP_002854517 . "uvsW.1 conserved hypothetical protein [Enterobacteria phage RB14]" . . . . . 96.20 76 100.00 100.00 1.13e-43 . . . . 15252 1 16 no REF YP_004415076 . "putative RNA-DNA and DNA-DNA helicase ATPase [Shigella phage Shfl2]" . . . . . 96.20 76 100.00 100.00 1.13e-43 . . . . 15252 1 17 no REF YP_006986738 . "RNA-DNA and DNA-DNA helicase [Enterobacteria phage vB_EcoM_ACG-C40]" . . . . . 96.20 76 100.00 100.00 1.13e-43 . . . . 15252 1 18 no SP P20703 . "RecName: Full=ATP-dependent DNA helicase uvsW; AltName: Full=Dar protein" . . . . . 96.20 587 100.00 100.00 1.15e-40 . . . . 15252 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 . 15252 1 2 . SER . 15252 1 3 . HIS . 15252 1 4 . MET . 15252 1 5 . LEU . 15252 1 6 . LEU . 15252 1 7 . GLU . 15252 1 8 . PHE . 15252 1 9 . LYS . 15252 1 10 . GLN . 15252 1 11 . PHE . 15252 1 12 . LEU . 15252 1 13 . TYR . 15252 1 14 . GLU . 15252 1 15 . ALA . 15252 1 16 . SER . 15252 1 17 . ILE . 15252 1 18 . ASP . 15252 1 19 . GLU . 15252 1 20 . PHE . 15252 1 21 . MET . 15252 1 22 . GLY . 15252 1 23 . LYS . 15252 1 24 . ILE . 15252 1 25 . ALA . 15252 1 26 . SER . 15252 1 27 . CYS . 15252 1 28 . GLN . 15252 1 29 . THR . 15252 1 30 . LEU . 15252 1 31 . GLU . 15252 1 32 . GLY . 15252 1 33 . LEU . 15252 1 34 . GLU . 15252 1 35 . GLU . 15252 1 36 . LEU . 15252 1 37 . GLU . 15252 1 38 . ALA . 15252 1 39 . TYR . 15252 1 40 . TYR . 15252 1 41 . LYS . 15252 1 42 . LYS . 15252 1 43 . ARG . 15252 1 44 . VAL . 15252 1 45 . LYS . 15252 1 46 . GLU . 15252 1 47 . THR . 15252 1 48 . GLU . 15252 1 49 . LEU . 15252 1 50 . LYS . 15252 1 51 . ASP . 15252 1 52 . THR . 15252 1 53 . ASP . 15252 1 54 . ASP . 15252 1 55 . ILE . 15252 1 56 . SER . 15252 1 57 . VAL . 15252 1 58 . ARG . 15252 1 59 . ASP . 15252 1 60 . ALA . 15252 1 61 . LEU . 15252 1 62 . ALA . 15252 1 63 . GLY . 15252 1 64 . LYS . 15252 1 65 . ARG . 15252 1 66 . ALA . 15252 1 67 . GLU . 15252 1 68 . LEU . 15252 1 69 . GLU . 15252 1 70 . ASP . 15252 1 71 . SER . 15252 1 72 . ASP . 15252 1 73 . ASP . 15252 1 74 . GLU . 15252 1 75 . VAL . 15252 1 76 . GLU . 15252 1 77 . GLU . 15252 1 78 . SER . 15252 1 79 . PHE . 15252 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 15252 1 . SER 2 2 15252 1 . HIS 3 3 15252 1 . MET 4 4 15252 1 . LEU 5 5 15252 1 . LEU 6 6 15252 1 . GLU 7 7 15252 1 . PHE 8 8 15252 1 . LYS 9 9 15252 1 . GLN 10 10 15252 1 . PHE 11 11 15252 1 . LEU 12 12 15252 1 . TYR 13 13 15252 1 . GLU 14 14 15252 1 . ALA 15 15 15252 1 . SER 16 16 15252 1 . ILE 17 17 15252 1 . ASP 18 18 15252 1 . GLU 19 19 15252 1 . PHE 20 20 15252 1 . MET 21 21 15252 1 . GLY 22 22 15252 1 . LYS 23 23 15252 1 . ILE 24 24 15252 1 . ALA 25 25 15252 1 . SER 26 26 15252 1 . CYS 27 27 15252 1 . GLN 28 28 15252 1 . THR 29 29 15252 1 . LEU 30 30 15252 1 . GLU 31 31 15252 1 . GLY 32 32 15252 1 . LEU 33 33 15252 1 . GLU 34 34 15252 1 . GLU 35 35 15252 1 . LEU 36 36 15252 1 . GLU 37 37 15252 1 . ALA 38 38 15252 1 . TYR 39 39 15252 1 . TYR 40 40 15252 1 . LYS 41 41 15252 1 . LYS 42 42 15252 1 . ARG 43 43 15252 1 . VAL 44 44 15252 1 . LYS 45 45 15252 1 . GLU 46 46 15252 1 . THR 47 47 15252 1 . GLU 48 48 15252 1 . LEU 49 49 15252 1 . LYS 50 50 15252 1 . ASP 51 51 15252 1 . THR 52 52 15252 1 . ASP 53 53 15252 1 . ASP 54 54 15252 1 . ILE 55 55 15252 1 . SER 56 56 15252 1 . VAL 57 57 15252 1 . ARG 58 58 15252 1 . ASP 59 59 15252 1 . ALA 60 60 15252 1 . LEU 61 61 15252 1 . ALA 62 62 15252 1 . GLY 63 63 15252 1 . LYS 64 64 15252 1 . ARG 65 65 15252 1 . ALA 66 66 15252 1 . GLU 67 67 15252 1 . LEU 68 68 15252 1 . GLU 69 69 15252 1 . ASP 70 70 15252 1 . SER 71 71 15252 1 . ASP 72 72 15252 1 . ASP 73 73 15252 1 . GLU 74 74 15252 1 . VAL 75 75 15252 1 . GLU 76 76 15252 1 . GLU 77 77 15252 1 . SER 78 78 15252 1 . PHE 79 79 15252 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 15252 _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 $UvsW.1 . 10665 virus . 'Bacteriophage T4' 'Bacteriophage T4' . . Viruses . 'T4-like viruses' T4 . . . . . . . . . . . . . . . . Uvsw.1 . . . . 15252 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 15252 _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 $UvsW.1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET15b . . . . . . 15252 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15252 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 UvsW.1 '[U-99% 13C; U-99% 15N]' . . 1 $UvsW.1 . . 1.66 . . mM 0.1 . . . 15252 1 2 'sodium phosphate' . . . . . . . 10 . . mM . . . . 15252 1 3 NaCl . . . . . . . 10 . . mM . . . . 15252 1 4 DTT . . . . . . . 1 . . mM . . . . 15252 1 5 'sodium azide' . . . . . . . 0.02 . . % . . . . 15252 1 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 15252 _Sample_condition_list.ID 1 _Sample_condition_list.Details '10mM sodium phosphate, 10mM NaCl, 1mM DTT, 0.02% sodium azide' 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' 0.02 . M 15252 1 pH 6.5 . pH 15252 1 pressure 1 . atm 15252 1 temperature 298 0.1 K 15252 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15252 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15252 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15252 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 15252 _Software.ID 2 _Software.Name FELIX _Software.Version 2000 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 15252 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15252 2 'peak picking' 15252 2 processing 15252 2 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 15252 _Software.ID 3 _Software.Name ARIA _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 15252 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15252 3 'structure solution' 15252 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 15252 _Software.ID 4 _Software.Name AMBER _Software.Version 9 _Software.Details 'GBSA solvation was used to perform molecular dynamics refinement' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Koll' . . 15252 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15252 4 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 15252 _Software.ID 5 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 15252 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15252 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15252 _Software.ID 6 _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' . . 15252 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'restraint generation' 15252 6 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 15252 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15252 _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 15252 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 15252 1 2 spectrometer_2 Bruker Avance . 800 . . . 15252 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 15252 _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 . . . . . . . . . . . . . . . . 15252 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15252 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15252 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15252 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15252 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15252 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15252 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15252 1 9 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15252 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15252 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15252 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15252 1 13 '2D 1H-15N HSQC, Steady state {1H}-15N NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15252 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 15252 _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 . indirect 0.251449530 . . . . . . . . . 15252 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15252 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15252 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 15252 _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' . . . 15252 1 2 '2D 1H-13C HSQC' . . . 15252 1 3 '3D HNCA' . . . 15252 1 4 '3D HN(CO)CA' . . . 15252 1 5 '3D CBCA(CO)NH' . . . 15252 1 6 '3D HNCACB' . . . 15252 1 7 '3D C(CO)NH' . . . 15252 1 8 '3D H(CCO)NH' . . . 15252 1 9 '3D HCCH-COSY' . . . 15252 1 12 '3D HCCH-TOCSY' . . . 15252 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 15252 1 2 $Felix . . 15252 1 3 $ARIA . . 15252 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 4 4 MET H H 1 8.433 0.0 . . . . . . 4 MET H . 15252 1 2 . 1 1 4 4 MET HA H 1 4.402 0.0 . . . . . . 4 MET HA . 15252 1 3 . 1 1 4 4 MET HB2 H 1 2.017 0.0 . . . . . . 4 MET HB1 . 15252 1 4 . 1 1 4 4 MET HB3 H 1 1.959 0.0 . . . . . . 4 MET HB2 . 15252 1 5 . 1 1 4 4 MET HG2 H 1 2.495 0.0 . . . . . . 4 MET HG1 . 15252 1 6 . 1 1 4 4 MET HG3 H 1 2.433 0.0 . . . . . . 4 MET HG2 . 15252 1 7 . 1 1 4 4 MET CA C 13 55.870 0.0 . . . . . . 4 MET CA . 15252 1 8 . 1 1 4 4 MET CB C 13 33.011 0.0 . . . . . . 4 MET CB . 15252 1 9 . 1 1 4 4 MET CE C 13 20.467 0.0 . . . . . . 4 MET CE . 15252 1 10 . 1 1 4 4 MET CG C 13 32.149 0.0 . . . . . . 4 MET CG . 15252 1 11 . 1 1 4 4 MET N N 15 122.761 0.0 . . . . . . 4 MET N . 15252 1 12 . 1 1 5 5 LEU H H 1 8.329 0.0 . . . . . . 5 LEU H . 15252 1 13 . 1 1 5 5 LEU HA H 1 4.330 0.0 . . . . . . 5 LEU HA . 15252 1 14 . 1 1 5 5 LEU HD11 H 1 0.859 0.0 . . . . . . 5 LEU HD1 . 15252 1 15 . 1 1 5 5 LEU HD12 H 1 0.859 0.0 . . . . . . 5 LEU HD1 . 15252 1 16 . 1 1 5 5 LEU HD13 H 1 0.859 0.0 . . . . . . 5 LEU HD1 . 15252 1 17 . 1 1 5 5 LEU HG H 1 1.597 0.0 . . . . . . 5 LEU HG . 15252 1 18 . 1 1 5 5 LEU CA C 13 55.582 0.0 . . . . . . 5 LEU CA . 15252 1 19 . 1 1 5 5 LEU CB C 13 42.216 0.0 . . . . . . 5 LEU CB . 15252 1 20 . 1 1 5 5 LEU CD1 C 13 24.505 0.0 . . . . . . 5 LEU CD1 . 15252 1 21 . 1 1 5 5 LEU CG C 13 27.140 0.0 . . . . . . 5 LEU CG . 15252 1 22 . 1 1 5 5 LEU N N 15 124.317 0.0 . . . . . . 5 LEU N . 15252 1 23 . 1 1 6 6 LEU H H 1 8.212 0.0 . . . . . . 6 LEU H . 15252 1 24 . 1 1 6 6 LEU CA C 13 55.600 0.0 . . . . . . 6 LEU CA . 15252 1 25 . 1 1 6 6 LEU CB C 13 42.174 0.0 . . . . . . 6 LEU CB . 15252 1 26 . 1 1 6 6 LEU N N 15 123.738 0.0 . . . . . . 6 LEU N . 15252 1 27 . 1 1 7 7 GLU H H 1 7.960 0.0 . . . . . . 7 GLU H . 15252 1 28 . 1 1 7 7 GLU CA C 13 57.000 0.0 . . . . . . 7 GLU CA . 15252 1 29 . 1 1 7 7 GLU CB C 13 30.010 0.0 . . . . . . 7 GLU CB . 15252 1 30 . 1 1 7 7 GLU N N 15 124.650 0.0 . . . . . . 7 GLU N . 15252 1 31 . 1 1 8 8 PHE H H 1 8.060 0.0 . . . . . . 8 PHE H . 15252 1 32 . 1 1 8 8 PHE CA C 13 61.880 0.0 . . . . . . 8 PHE CA . 15252 1 33 . 1 1 8 8 PHE CB C 13 42.870 0.0 . . . . . . 8 PHE CB . 15252 1 34 . 1 1 8 8 PHE N N 15 123.320 0.0 . . . . . . 8 PHE N . 15252 1 35 . 1 1 9 9 LYS H H 1 8.300 0.0 . . . . . . 9 LYS H . 15252 1 36 . 1 1 9 9 LYS HA H 1 4.468 0.0 . . . . . . 9 LYS HA . 15252 1 37 . 1 1 9 9 LYS CA C 13 58.200 0.0 . . . . . . 9 LYS CA . 15252 1 38 . 1 1 9 9 LYS CB C 13 32.740 0.0 . . . . . . 9 LYS CB . 15252 1 39 . 1 1 9 9 LYS N N 15 123.740 0.0 . . . . . . 9 LYS N . 15252 1 40 . 1 1 10 10 GLN H H 1 8.285 0.0 . . . . . . 10 GLN H . 15252 1 41 . 1 1 10 10 GLN HA H 1 4.140 0.0 . . . . . . 10 GLN HA . 15252 1 42 . 1 1 10 10 GLN HB2 H 1 1.956 0.0 . . . . . . 10 GLN HB2 . 15252 1 43 . 1 1 10 10 GLN HE21 H 1 7.596 0.0 . . . . . . 10 GLN HE21 . 15252 1 44 . 1 1 10 10 GLN HE22 H 1 6.845 0.0 . . . . . . 10 GLN HE22 . 15252 1 45 . 1 1 10 10 GLN HG2 H 1 2.259 0.0 . . . . . . 10 GLN HG2 . 15252 1 46 . 1 1 10 10 GLN CA C 13 56.791 0.0 . . . . . . 10 GLN CA . 15252 1 47 . 1 1 10 10 GLN CB C 13 29.200 0.0 . . . . . . 10 GLN CB . 15252 1 48 . 1 1 10 10 GLN CG C 13 33.628 0.0 . . . . . . 10 GLN CG . 15252 1 49 . 1 1 10 10 GLN N N 15 121.717 0.0 . . . . . . 10 GLN N . 15252 1 50 . 1 1 10 10 GLN NE2 N 15 113.611 0.0 . . . . . . 10 GLN NE2 . 15252 1 51 . 1 1 11 11 PHE H H 1 8.105 0.0 . . . . . . 11 PHE H . 15252 1 52 . 1 1 11 11 PHE HA H 1 4.552 0.0 . . . . . . 11 PHE HA . 15252 1 53 . 1 1 11 11 PHE HB2 H 1 3.080 0.0 . . . . . . 11 PHE HB1 . 15252 1 54 . 1 1 11 11 PHE HB3 H 1 2.991 0.0 . . . . . . 11 PHE HB2 . 15252 1 55 . 1 1 11 11 PHE HD1 H 1 7.181 0.0 . . . . . . 11 PHE HD1 . 15252 1 56 . 1 1 11 11 PHE HE1 H 1 7.251 0.0 . . . . . . 11 PHE HE1 . 15252 1 57 . 1 1 11 11 PHE CA C 13 58.450 0.0 . . . . . . 11 PHE CA . 15252 1 58 . 1 1 11 11 PHE CB C 13 39.375 0.0 . . . . . . 11 PHE CB . 15252 1 59 . 1 1 11 11 PHE N N 15 120.947 0.0 . . . . . . 11 PHE N . 15252 1 60 . 1 1 12 12 LEU H H 1 7.950 0.0 . . . . . . 12 LEU H . 15252 1 61 . 1 1 12 12 LEU HA H 1 4.177 0.0 . . . . . . 12 LEU HA . 15252 1 62 . 1 1 12 12 LEU HB2 H 1 1.447 0.0 . . . . . . 12 LEU HB1 . 15252 1 63 . 1 1 12 12 LEU HB3 H 1 1.341 0.0 . . . . . . 12 LEU HB2 . 15252 1 64 . 1 1 12 12 LEU HD11 H 1 0.766 0.0 . . . . . . 12 LEU HD1 . 15252 1 65 . 1 1 12 12 LEU HD12 H 1 0.766 0.0 . . . . . . 12 LEU HD1 . 15252 1 66 . 1 1 12 12 LEU HD13 H 1 0.766 0.0 . . . . . . 12 LEU HD1 . 15252 1 67 . 1 1 12 12 LEU HD21 H 1 0.734 0.0 . . . . . . 12 LEU HD2 . 15252 1 68 . 1 1 12 12 LEU HD22 H 1 0.734 0.0 . . . . . . 12 LEU HD2 . 15252 1 69 . 1 1 12 12 LEU HD23 H 1 0.734 0.0 . . . . . . 12 LEU HD2 . 15252 1 70 . 1 1 12 12 LEU HG H 1 1.335 0.0 . . . . . . 12 LEU HG . 15252 1 71 . 1 1 12 12 LEU CA C 13 55.810 0.0 . . . . . . 12 LEU CA . 15252 1 72 . 1 1 12 12 LEU CB C 13 42.350 0.0 . . . . . . 12 LEU CB . 15252 1 73 . 1 1 12 12 LEU CD1 C 13 25.310 0.0 . . . . . . 12 LEU CD1 . 15252 1 74 . 1 1 12 12 LEU CD2 C 13 23.750 0.0 . . . . . . 12 LEU CD2 . 15252 1 75 . 1 1 12 12 LEU CG C 13 26.800 0.0 . . . . . . 12 LEU CG . 15252 1 76 . 1 1 12 12 LEU N N 15 122.940 0.0 . . . . . . 12 LEU N . 15252 1 77 . 1 1 13 13 TYR H H 1 7.997 0.0 . . . . . . 13 TYR H . 15252 1 78 . 1 1 13 13 TYR HA H 1 4.422 0.0 . . . . . . 13 TYR HA . 15252 1 79 . 1 1 13 13 TYR HB2 H 1 2.996 0.0 . . . . . . 13 TYR HB1 . 15252 1 80 . 1 1 13 13 TYR HB3 H 1 3.058 0.0 . . . . . . 13 TYR HB2 . 15252 1 81 . 1 1 13 13 TYR HD1 H 1 7.067 0.0 . . . . . . 13 TYR HD1 . 15252 1 82 . 1 1 13 13 TYR HE1 H 1 6.822 0.0 . . . . . . 13 TYR HE1 . 15252 1 83 . 1 1 13 13 TYR CA C 13 59.170 0.0 . . . . . . 13 TYR CA . 15252 1 84 . 1 1 13 13 TYR CB C 13 39.000 0.0 . . . . . . 13 TYR CB . 15252 1 85 . 1 1 13 13 TYR N N 15 121.310 0.0 . . . . . . 13 TYR N . 15252 1 86 . 1 1 14 14 GLU H H 1 8.456 0.0 . . . . . . 14 GLU H . 15252 1 87 . 1 1 14 14 GLU HA H 1 4.153 0.0 . . . . . . 14 GLU HA . 15252 1 88 . 1 1 14 14 GLU HB2 H 1 2.005 0.0 . . . . . . 14 GLU HB2 . 15252 1 89 . 1 1 14 14 GLU HG2 H 1 2.312 0.0 . . . . . . 14 GLU HG2 . 15252 1 90 . 1 1 14 14 GLU CA C 13 57.410 0.0 . . . . . . 14 GLU CA . 15252 1 91 . 1 1 14 14 GLU CB C 13 29.800 0.0 . . . . . . 14 GLU CB . 15252 1 92 . 1 1 14 14 GLU CG C 13 36.616 0.0 . . . . . . 14 GLU CG . 15252 1 93 . 1 1 14 14 GLU N N 15 121.510 0.0 . . . . . . 14 GLU N . 15252 1 94 . 1 1 15 15 ALA H H 1 7.954 0.0 . . . . . . 15 ALA H . 15252 1 95 . 1 1 15 15 ALA HA H 1 4.317 0.0 . . . . . . 15 ALA HA . 15252 1 96 . 1 1 15 15 ALA HB1 H 1 1.385 0.0 . . . . . . 15 ALA HB . 15252 1 97 . 1 1 15 15 ALA HB2 H 1 1.385 0.0 . . . . . . 15 ALA HB . 15252 1 98 . 1 1 15 15 ALA HB3 H 1 1.385 0.0 . . . . . . 15 ALA HB . 15252 1 99 . 1 1 15 15 ALA CA C 13 53.250 0.0 . . . . . . 15 ALA CA . 15252 1 100 . 1 1 15 15 ALA CB C 13 19.300 0.0 . . . . . . 15 ALA CB . 15252 1 101 . 1 1 15 15 ALA N N 15 124.310 0.0 . . . . . . 15 ALA N . 15252 1 102 . 1 1 16 16 SER H H 1 8.393 0.0 . . . . . . 16 SER H . 15252 1 103 . 1 1 16 16 SER HA H 1 4.550 0.0 . . . . . . 16 SER HA . 15252 1 104 . 1 1 16 16 SER HB2 H 1 3.995 0.0 . . . . . . 16 SER HB1 . 15252 1 105 . 1 1 16 16 SER HB3 H 1 4.166 0.0 . . . . . . 16 SER HB2 . 15252 1 106 . 1 1 16 16 SER HG H 1 4.790 0.0 . . . . . . 16 SER HG . 15252 1 107 . 1 1 16 16 SER CA C 13 58.670 0.0 . . . . . . 16 SER CA . 15252 1 108 . 1 1 16 16 SER CB C 13 64.323 0.0 . . . . . . 16 SER CB . 15252 1 109 . 1 1 16 16 SER N N 15 116.970 0.0 . . . . . . 16 SER N . 15252 1 110 . 1 1 17 17 ILE H H 1 8.502 0.0 . . . . . . 17 ILE H . 15252 1 111 . 1 1 17 17 ILE HA H 1 4.137 0.0 . . . . . . 17 ILE HA . 15252 1 112 . 1 1 17 17 ILE HB H 1 2.065 0.0 . . . . . . 17 ILE HB . 15252 1 113 . 1 1 17 17 ILE HD11 H 1 0.854 0.0 . . . . . . 17 ILE HD1 . 15252 1 114 . 1 1 17 17 ILE HD12 H 1 0.854 0.0 . . . . . . 17 ILE HD1 . 15252 1 115 . 1 1 17 17 ILE HD13 H 1 0.854 0.0 . . . . . . 17 ILE HD1 . 15252 1 116 . 1 1 17 17 ILE HG12 H 1 1.420 0.0 . . . . . . 17 ILE HG11 . 15252 1 117 . 1 1 17 17 ILE HG13 H 1 0.963 0.0 . . . . . . 17 ILE HG12 . 15252 1 118 . 1 1 17 17 ILE CA C 13 62.743 0.0 . . . . . . 17 ILE CA . 15252 1 119 . 1 1 17 17 ILE CB C 13 37.030 0.0 . . . . . . 17 ILE CB . 15252 1 120 . 1 1 17 17 ILE CD1 C 13 12.312 0.0 . . . . . . 17 ILE CD1 . 15252 1 121 . 1 1 17 17 ILE CG1 C 13 27.645 0.0 . . . . . . 17 ILE CG1 . 15252 1 122 . 1 1 17 17 ILE CG2 C 13 17.757 0.0 . . . . . . 17 ILE CG2 . 15252 1 123 . 1 1 17 17 ILE N N 15 123.956 0.0 . . . . . . 17 ILE N . 15252 1 124 . 1 1 18 18 ASP H H 1 8.222 0.0 . . . . . . 18 ASP H . 15252 1 125 . 1 1 18 18 ASP CA C 13 54.650 0.0 . . . . . . 18 ASP CA . 15252 1 126 . 1 1 18 18 ASP CB C 13 42.260 0.0 . . . . . . 18 ASP CB . 15252 1 127 . 1 1 18 18 ASP N N 15 122.118 0.0 . . . . . . 18 ASP N . 15252 1 128 . 1 1 19 19 GLU H H 1 8.273 0.0 . . . . . . 19 GLU H . 15252 1 129 . 1 1 19 19 GLU HA H 1 4.310 0.0 . . . . . . 19 GLU HA . 15252 1 130 . 1 1 19 19 GLU HB2 H 1 2.039 0.0 . . . . . . 19 GLU HB1 . 15252 1 131 . 1 1 19 19 GLU HB3 H 1 1.949 0.0 . . . . . . 19 GLU HB2 . 15252 1 132 . 1 1 19 19 GLU CA C 13 56.720 0.0 . . . . . . 19 GLU CA . 15252 1 133 . 1 1 19 19 GLU CB C 13 29.810 0.0 . . . . . . 19 GLU CB . 15252 1 134 . 1 1 19 19 GLU N N 15 122.027 0.0 . . . . . . 19 GLU N . 15252 1 135 . 1 1 20 20 PHE H H 1 8.428 0.0 . . . . . . 20 PHE H . 15252 1 136 . 1 1 20 20 PHE HA H 1 4.176 0.0 . . . . . . 20 PHE HA . 15252 1 137 . 1 1 20 20 PHE HB2 H 1 3.346 0.0 . . . . . . 20 PHE HB1 . 15252 1 138 . 1 1 20 20 PHE HB3 H 1 3.230 0.0 . . . . . . 20 PHE HB2 . 15252 1 139 . 1 1 20 20 PHE HD1 H 1 7.161 0.0 . . . . . . 20 PHE HD1 . 15252 1 140 . 1 1 20 20 PHE HE1 H 1 7.240 0.0 . . . . . . 20 PHE HE1 . 15252 1 141 . 1 1 20 20 PHE CA C 13 61.820 0.0 . . . . . . 20 PHE CA . 15252 1 142 . 1 1 20 20 PHE CB C 13 39.720 0.0 . . . . . . 20 PHE CB . 15252 1 143 . 1 1 20 20 PHE N N 15 123.950 0.0 . . . . . . 20 PHE N . 15252 1 144 . 1 1 21 21 MET H H 1 8.878 0.0 . . . . . . 21 MET H . 15252 1 145 . 1 1 21 21 MET HA H 1 4.083 0.0 . . . . . . 21 MET HA . 15252 1 146 . 1 1 21 21 MET HB2 H 1 2.331 0.0 . . . . . . 21 MET HB1 . 15252 1 147 . 1 1 21 21 MET HB3 H 1 2.008 0.0 . . . . . . 21 MET HB2 . 15252 1 148 . 1 1 21 21 MET HE1 H 1 0.662 0.0 . . . . . . 21 MET HE . 15252 1 149 . 1 1 21 21 MET HE2 H 1 0.662 0.0 . . . . . . 21 MET HE . 15252 1 150 . 1 1 21 21 MET HE3 H 1 0.662 0.0 . . . . . . 21 MET HE . 15252 1 151 . 1 1 21 21 MET HG2 H 1 2.710 0.0 . . . . . . 21 MET HG1 . 15252 1 152 . 1 1 21 21 MET CA C 13 58.180 0.0 . . . . . . 21 MET CA . 15252 1 153 . 1 1 21 21 MET CB C 13 31.200 0.0 . . . . . . 21 MET CB . 15252 1 154 . 1 1 21 21 MET CE C 13 15.600 0.0 . . . . . . 21 MET CE . 15252 1 155 . 1 1 21 21 MET CG C 13 33.300 0.0 . . . . . . 21 MET CG . 15252 1 156 . 1 1 21 21 MET N N 15 118.097 0.0 . . . . . . 21 MET N . 15252 1 157 . 1 1 22 22 GLY H H 1 8.058 0.0 . . . . . . 22 GLY H . 15252 1 158 . 1 1 22 22 GLY HA2 H 1 3.927 0.0 . . . . . . 22 GLY HA1 . 15252 1 159 . 1 1 22 22 GLY CA C 13 46.986 0.0 . . . . . . 22 GLY CA . 15252 1 160 . 1 1 22 22 GLY N N 15 109.138 0.0 . . . . . . 22 GLY N . 15252 1 161 . 1 1 23 23 LYS H H 1 7.758 0.0 . . . . . . 23 LYS H . 15252 1 162 . 1 1 23 23 LYS HA H 1 4.022 0.0 . . . . . . 23 LYS HA . 15252 1 163 . 1 1 23 23 LYS HB2 H 1 1.935 0.0 . . . . . . 23 LYS HB1 . 15252 1 164 . 1 1 23 23 LYS HB3 H 1 1.708 0.0 . . . . . . 23 LYS HB2 . 15252 1 165 . 1 1 23 23 LYS HD2 H 1 1.526 0.0 . . . . . . 23 LYS HD1 . 15252 1 166 . 1 1 23 23 LYS HD3 H 1 1.580 0.0 . . . . . . 23 LYS HD2 . 15252 1 167 . 1 1 23 23 LYS HE2 H 1 2.830 0.0 . . . . . . 23 LYS HE2 . 15252 1 168 . 1 1 23 23 LYS HG2 H 1 1.469 0.0 . . . . . . 23 LYS HG1 . 15252 1 169 . 1 1 23 23 LYS HG3 H 1 1.521 0.0 . . . . . . 23 LYS HG2 . 15252 1 170 . 1 1 23 23 LYS CA C 13 58.651 0.0 . . . . . . 23 LYS CA . 15252 1 171 . 1 1 23 23 LYS CB C 13 31.891 0.0 . . . . . . 23 LYS CB . 15252 1 172 . 1 1 23 23 LYS CD C 13 29.100 0.0 . . . . . . 23 LYS CD . 15252 1 173 . 1 1 23 23 LYS CE C 13 42.267 0.0 . . . . . . 23 LYS CE . 15252 1 174 . 1 1 23 23 LYS CG C 13 25.600 0.0 . . . . . . 23 LYS CG . 15252 1 175 . 1 1 23 23 LYS N N 15 124.233 0.0 . . . . . . 23 LYS N . 15252 1 176 . 1 1 24 24 ILE H H 1 7.822 0.0 . . . . . . 24 ILE H . 15252 1 177 . 1 1 24 24 ILE HA H 1 3.267 0.0 . . . . . . 24 ILE HA . 15252 1 178 . 1 1 24 24 ILE HB H 1 1.792 0.0 . . . . . . 24 ILE HB . 15252 1 179 . 1 1 24 24 ILE HD11 H 1 0.661 0.0 . . . . . . 24 ILE HD1 . 15252 1 180 . 1 1 24 24 ILE HD12 H 1 0.661 0.0 . . . . . . 24 ILE HD1 . 15252 1 181 . 1 1 24 24 ILE HD13 H 1 0.661 0.0 . . . . . . 24 ILE HD1 . 15252 1 182 . 1 1 24 24 ILE HG12 H 1 1.467 0.0 . . . . . . 24 ILE HG11 . 15252 1 183 . 1 1 24 24 ILE HG13 H 1 0.450 0.0 . . . . . . 24 ILE HG12 . 15252 1 184 . 1 1 24 24 ILE HG21 H 1 0.663 0.0 . . . . . . 24 ILE HG2 . 15252 1 185 . 1 1 24 24 ILE HG22 H 1 0.663 0.0 . . . . . . 24 ILE HG2 . 15252 1 186 . 1 1 24 24 ILE HG23 H 1 0.663 0.0 . . . . . . 24 ILE HG2 . 15252 1 187 . 1 1 24 24 ILE CA C 13 65.840 0.0 . . . . . . 24 ILE CA . 15252 1 188 . 1 1 24 24 ILE CB C 13 38.400 0.0 . . . . . . 24 ILE CB . 15252 1 189 . 1 1 24 24 ILE CD1 C 13 15.545 0.0 . . . . . . 24 ILE CD1 . 15252 1 190 . 1 1 24 24 ILE CG1 C 13 28.673 0.0 . . . . . . 24 ILE CG1 . 15252 1 191 . 1 1 24 24 ILE CG2 C 13 17.777 0.0 . . . . . . 24 ILE CG2 . 15252 1 192 . 1 1 24 24 ILE N N 15 121.147 0.0 . . . . . . 24 ILE N . 15252 1 193 . 1 1 25 25 ALA H H 1 7.701 0.0 . . . . . . 25 ALA H . 15252 1 194 . 1 1 25 25 ALA HA H 1 4.055 0.0 . . . . . . 25 ALA HA . 15252 1 195 . 1 1 25 25 ALA HB1 H 1 1.478 0.0 . . . . . . 25 ALA HB . 15252 1 196 . 1 1 25 25 ALA HB2 H 1 1.478 0.0 . . . . . . 25 ALA HB . 15252 1 197 . 1 1 25 25 ALA HB3 H 1 1.478 0.0 . . . . . . 25 ALA HB . 15252 1 198 . 1 1 25 25 ALA CA C 13 55.150 0.0 . . . . . . 25 ALA CA . 15252 1 199 . 1 1 25 25 ALA CB C 13 18.400 0.0 . . . . . . 25 ALA CB . 15252 1 200 . 1 1 25 25 ALA N N 15 119.928 0.0 . . . . . . 25 ALA N . 15252 1 201 . 1 1 26 26 SER H H 1 7.495 0.0 . . . . . . 26 SER H . 15252 1 202 . 1 1 26 26 SER HA H 1 4.420 0.0 . . . . . . 26 SER HA . 15252 1 203 . 1 1 26 26 SER HB2 H 1 3.989 0.0 . . . . . . 26 SER HB1 . 15252 1 204 . 1 1 26 26 SER HB3 H 1 3.902 0.0 . . . . . . 26 SER HB2 . 15252 1 205 . 1 1 26 26 SER HG H 1 4.794 0.0 . . . . . . 26 SER HG . 15252 1 206 . 1 1 26 26 SER CA C 13 58.480 0.0 . . . . . . 26 SER CA . 15252 1 207 . 1 1 26 26 SER CB C 13 64.194 0.0 . . . . . . 26 SER CB . 15252 1 208 . 1 1 26 26 SER N N 15 110.500 0.0 . . . . . . 26 SER N . 15252 1 209 . 1 1 27 27 CYS H H 1 7.457 0.0 . . . . . . 27 CYS H . 15252 1 210 . 1 1 27 27 CYS HA H 1 4.167 0.0 . . . . . . 27 CYS HA . 15252 1 211 . 1 1 27 27 CYS HB2 H 1 2.962 0.0 . . . . . . 27 CYS HB1 . 15252 1 212 . 1 1 27 27 CYS HB3 H 1 2.855 0.0 . . . . . . 27 CYS HB2 . 15252 1 213 . 1 1 27 27 CYS CA C 13 61.261 0.0 . . . . . . 27 CYS CA . 15252 1 214 . 1 1 27 27 CYS CB C 13 26.859 0.0 . . . . . . 27 CYS CB . 15252 1 215 . 1 1 27 27 CYS N N 15 125.600 0.0 . . . . . . 27 CYS N . 15252 1 216 . 1 1 28 28 GLN H H 1 8.988 0.0 . . . . . . 28 GLN H . 15252 1 217 . 1 1 28 28 GLN HA H 1 4.626 0.0 . . . . . . 28 GLN HA . 15252 1 218 . 1 1 28 28 GLN HB2 H 1 1.977 0.0 . . . . . . 28 GLN HB2 . 15252 1 219 . 1 1 28 28 GLN HE21 H 1 7.432 0.0 . . . . . . 28 GLN HE21 . 15252 1 220 . 1 1 28 28 GLN HE22 H 1 6.846 0.0 . . . . . . 28 GLN HE22 . 15252 1 221 . 1 1 28 28 GLN HG2 H 1 2.527 0.0 . . . . . . 28 GLN HG1 . 15252 1 222 . 1 1 28 28 GLN HG3 H 1 2.437 0.0 . . . . . . 28 GLN HG2 . 15252 1 223 . 1 1 28 28 GLN CA C 13 56.080 0.0 . . . . . . 28 GLN CA . 15252 1 224 . 1 1 28 28 GLN CB C 13 31.916 0.0 . . . . . . 28 GLN CB . 15252 1 225 . 1 1 28 28 GLN CG C 13 34.150 0.0 . . . . . . 28 GLN CG . 15252 1 226 . 1 1 28 28 GLN N N 15 126.017 0.0 . . . . . . 28 GLN N . 15252 1 227 . 1 1 28 28 GLN NE2 N 15 113.604 0.0 . . . . . . 28 GLN NE2 . 15252 1 228 . 1 1 29 29 THR H H 1 7.660 0.0 . . . . . . 29 THR H . 15252 1 229 . 1 1 29 29 THR HA H 1 4.954 0.0 . . . . . . 29 THR HA . 15252 1 230 . 1 1 29 29 THR HB H 1 4.639 0.0 . . . . . . 29 THR HB . 15252 1 231 . 1 1 29 29 THR HG1 H 1 4.787 0.0 . . . . . . 29 THR HG1 . 15252 1 232 . 1 1 29 29 THR HG21 H 1 1.243 0.0 . . . . . . 29 THR HG2 . 15252 1 233 . 1 1 29 29 THR HG22 H 1 1.243 0.0 . . . . . . 29 THR HG2 . 15252 1 234 . 1 1 29 29 THR HG23 H 1 1.243 0.0 . . . . . . 29 THR HG2 . 15252 1 235 . 1 1 29 29 THR CA C 13 58.900 0.0 . . . . . . 29 THR CA . 15252 1 236 . 1 1 29 29 THR CB C 13 72.830 0.0 . . . . . . 29 THR CB . 15252 1 237 . 1 1 29 29 THR CG2 C 13 21.796 0.0 . . . . . . 29 THR CG2 . 15252 1 238 . 1 1 29 29 THR N N 15 108.880 0.0 . . . . . . 29 THR N . 15252 1 239 . 1 1 30 30 LEU H H 1 9.305 0.0 . . . . . . 30 LEU H . 15252 1 240 . 1 1 30 30 LEU HA H 1 4.025 0.0 . . . . . . 30 LEU HA . 15252 1 241 . 1 1 30 30 LEU HB2 H 1 1.698 0.0 . . . . . . 30 LEU HB1 . 15252 1 242 . 1 1 30 30 LEU HD11 H 1 0.940 0.0 . . . . . . 30 LEU HD1 . 15252 1 243 . 1 1 30 30 LEU HD12 H 1 0.940 0.0 . . . . . . 30 LEU HD1 . 15252 1 244 . 1 1 30 30 LEU HD13 H 1 0.940 0.0 . . . . . . 30 LEU HD1 . 15252 1 245 . 1 1 30 30 LEU HD21 H 1 0.970 0.0 . . . . . . 30 LEU HD2 . 15252 1 246 . 1 1 30 30 LEU HD22 H 1 0.970 0.0 . . . . . . 30 LEU HD2 . 15252 1 247 . 1 1 30 30 LEU HD23 H 1 0.970 0.0 . . . . . . 30 LEU HD2 . 15252 1 248 . 1 1 30 30 LEU HG H 1 1.710 0.0 . . . . . . 30 LEU HG . 15252 1 249 . 1 1 30 30 LEU CA C 13 57.921 0.0 . . . . . . 30 LEU CA . 15252 1 250 . 1 1 30 30 LEU CB C 13 41.450 0.0 . . . . . . 30 LEU CB . 15252 1 251 . 1 1 30 30 LEU CD1 C 13 24.998 0.0 . . . . . . 30 LEU CD1 . 15252 1 252 . 1 1 30 30 LEU CD2 C 13 24.749 0.0 . . . . . . 30 LEU CD2 . 15252 1 253 . 1 1 30 30 LEU CG C 13 27.545 0.0 . . . . . . 30 LEU CG . 15252 1 254 . 1 1 30 30 LEU N N 15 126.370 0.0 . . . . . . 30 LEU N . 15252 1 255 . 1 1 31 31 GLU H H 1 8.916 0.0 . . . . . . 31 GLU H . 15252 1 256 . 1 1 31 31 GLU HA H 1 4.079 0.0 . . . . . . 31 GLU HA . 15252 1 257 . 1 1 31 31 GLU HB2 H 1 2.065 0.0 . . . . . . 31 GLU HB1 . 15252 1 258 . 1 1 31 31 GLU HB3 H 1 1.953 0.0 . . . . . . 31 GLU HB2 . 15252 1 259 . 1 1 31 31 GLU HG2 H 1 2.341 0.0 . . . . . . 31 GLU HG1 . 15252 1 260 . 1 1 31 31 GLU CA C 13 60.320 0.0 . . . . . . 31 GLU CA . 15252 1 261 . 1 1 31 31 GLU CB C 13 29.158 0.0 . . . . . . 31 GLU CB . 15252 1 262 . 1 1 31 31 GLU CG C 13 36.698 0.0 . . . . . . 31 GLU CG . 15252 1 263 . 1 1 31 31 GLU N N 15 120.986 0.0 . . . . . . 31 GLU N . 15252 1 264 . 1 1 32 32 GLY H H 1 8.175 0.0 . . . . . . 32 GLY H . 15252 1 265 . 1 1 32 32 GLY HA2 H 1 3.906 0.0 . . . . . . 32 GLY HA1 . 15252 1 266 . 1 1 32 32 GLY HA3 H 1 3.710 0.0 . . . . . . 32 GLY HA2 . 15252 1 267 . 1 1 32 32 GLY CA C 13 47.000 0.0 . . . . . . 32 GLY CA . 15252 1 268 . 1 1 32 32 GLY N N 15 110.172 0.0 . . . . . . 32 GLY N . 15252 1 269 . 1 1 33 33 LEU H H 1 8.059 0.0 . . . . . . 33 LEU H . 15252 1 270 . 1 1 33 33 LEU HA H 1 4.170 0.0 . . . . . . 33 LEU HA . 15252 1 271 . 1 1 33 33 LEU HB2 H 1 2.071 0.0 . . . . . . 33 LEU HB1 . 15252 1 272 . 1 1 33 33 LEU HB3 H 1 1.590 0.0 . . . . . . 33 LEU HB2 . 15252 1 273 . 1 1 33 33 LEU HD11 H 1 1.000 0.0 . . . . . . 33 LEU HD1 . 15252 1 274 . 1 1 33 33 LEU HD12 H 1 1.000 0.0 . . . . . . 33 LEU HD1 . 15252 1 275 . 1 1 33 33 LEU HD13 H 1 1.000 0.0 . . . . . . 33 LEU HD1 . 15252 1 276 . 1 1 33 33 LEU HG H 1 1.727 0.0 . . . . . . 33 LEU HG . 15252 1 277 . 1 1 33 33 LEU CA C 13 57.730 0.0 . . . . . . 33 LEU CA . 15252 1 278 . 1 1 33 33 LEU CB C 13 41.400 0.0 . . . . . . 33 LEU CB . 15252 1 279 . 1 1 33 33 LEU CD1 C 13 24.057 0.0 . . . . . . 33 LEU CD1 . 15252 1 280 . 1 1 33 33 LEU CD2 C 13 23.832 0.0 . . . . . . 33 LEU CD2 . 15252 1 281 . 1 1 33 33 LEU CG C 13 25.963 0.0 . . . . . . 33 LEU CG . 15252 1 282 . 1 1 33 33 LEU N N 15 127.916 0.0 . . . . . . 33 LEU N . 15252 1 283 . 1 1 34 34 GLU H H 1 8.637 0.0 . . . . . . 34 GLU H . 15252 1 284 . 1 1 34 34 GLU HA H 1 4.210 0.0 . . . . . . 34 GLU HA . 15252 1 285 . 1 1 34 34 GLU HB2 H 1 2.098 0.0 . . . . . . 34 GLU HB1 . 15252 1 286 . 1 1 34 34 GLU HB3 H 1 2.212 0.0 . . . . . . 34 GLU HB2 . 15252 1 287 . 1 1 34 34 GLU HG2 H 1 2.534 0.0 . . . . . . 34 GLU HG1 . 15252 1 288 . 1 1 34 34 GLU HG3 H 1 2.308 0.0 . . . . . . 34 GLU HG2 . 15252 1 289 . 1 1 34 34 GLU CA C 13 59.600 0.0 . . . . . . 34 GLU CA . 15252 1 290 . 1 1 34 34 GLU CB C 13 29.090 0.0 . . . . . . 34 GLU CB . 15252 1 291 . 1 1 34 34 GLU CG C 13 36.462 0.0 . . . . . . 34 GLU CG . 15252 1 292 . 1 1 34 34 GLU N N 15 120.947 0.0 . . . . . . 34 GLU N . 15252 1 293 . 1 1 35 35 GLU H H 1 7.545 0.0 . . . . . . 35 GLU H . 15252 1 294 . 1 1 35 35 GLU HA H 1 4.220 0.0 . . . . . . 35 GLU HA . 15252 1 295 . 1 1 35 35 GLU HB2 H 1 1.956 0.0 . . . . . . 35 GLU HB2 . 15252 1 296 . 1 1 35 35 GLU HG2 H 1 2.507 0.0 . . . . . . 35 GLU HG1 . 15252 1 297 . 1 1 35 35 GLU HG3 H 1 2.243 0.0 . . . . . . 35 GLU HG2 . 15252 1 298 . 1 1 35 35 GLU CA C 13 59.600 0.0 . . . . . . 35 GLU CA . 15252 1 299 . 1 1 35 35 GLU CB C 13 29.170 0.0 . . . . . . 35 GLU CB . 15252 1 300 . 1 1 35 35 GLU CG C 13 36.391 0.0 . . . . . . 35 GLU CG . 15252 1 301 . 1 1 35 35 GLU N N 15 120.962 0.0 . . . . . . 35 GLU N . 15252 1 302 . 1 1 36 36 LEU H H 1 7.765 0.0 . . . . . . 36 LEU H . 15252 1 303 . 1 1 36 36 LEU HA H 1 4.348 0.0 . . . . . . 36 LEU HA . 15252 1 304 . 1 1 36 36 LEU HB2 H 1 2.229 0.0 . . . . . . 36 LEU HB1 . 15252 1 305 . 1 1 36 36 LEU HB3 H 1 1.438 0.0 . . . . . . 36 LEU HB2 . 15252 1 306 . 1 1 36 36 LEU HD21 H 1 0.724 0.0 . . . . . . 36 LEU HD2 . 15252 1 307 . 1 1 36 36 LEU HD22 H 1 0.724 0.0 . . . . . . 36 LEU HD2 . 15252 1 308 . 1 1 36 36 LEU HD23 H 1 0.724 0.0 . . . . . . 36 LEU HD2 . 15252 1 309 . 1 1 36 36 LEU HG H 1 1.972 0.0 . . . . . . 36 LEU HG . 15252 1 310 . 1 1 36 36 LEU CA C 13 58.440 0.0 . . . . . . 36 LEU CA . 15252 1 311 . 1 1 36 36 LEU CB C 13 41.333 0.0 . . . . . . 36 LEU CB . 15252 1 312 . 1 1 36 36 LEU CD1 C 13 23.271 0.0 . . . . . . 36 LEU CD1 . 15252 1 313 . 1 1 36 36 LEU CD2 C 13 20.419 0.0 . . . . . . 36 LEU CD2 . 15252 1 314 . 1 1 36 36 LEU CG C 13 26.657 0.0 . . . . . . 36 LEU CG . 15252 1 315 . 1 1 36 36 LEU N N 15 122.330 0.0 . . . . . . 36 LEU N . 15252 1 316 . 1 1 37 37 GLU H H 1 9.128 0.0 . . . . . . 37 GLU H . 15252 1 317 . 1 1 37 37 GLU HA H 1 4.086 0.0 . . . . . . 37 GLU HA . 15252 1 318 . 1 1 37 37 GLU HB2 H 1 2.337 0.0 . . . . . . 37 GLU HB1 . 15252 1 319 . 1 1 37 37 GLU HB3 H 1 2.134 0.0 . . . . . . 37 GLU HB2 . 15252 1 320 . 1 1 37 37 GLU HG2 H 1 2.478 0.0 . . . . . . 37 GLU HG1 . 15252 1 321 . 1 1 37 37 GLU HG3 H 1 2.267 0.0 . . . . . . 37 GLU HG2 . 15252 1 322 . 1 1 37 37 GLU CA C 13 60.351 0.0 . . . . . . 37 GLU CA . 15252 1 323 . 1 1 37 37 GLU CB C 13 30.300 0.0 . . . . . . 37 GLU CB . 15252 1 324 . 1 1 37 37 GLU CG C 13 37.500 0.0 . . . . . . 37 GLU CG . 15252 1 325 . 1 1 37 37 GLU N N 15 121.550 0.0 . . . . . . 37 GLU N . 15252 1 326 . 1 1 38 38 ALA H H 1 8.247 0.0 . . . . . . 38 ALA H . 15252 1 327 . 1 1 38 38 ALA HA H 1 4.170 0.0 . . . . . . 38 ALA HA . 15252 1 328 . 1 1 38 38 ALA HB1 H 1 1.600 0.0 . . . . . . 38 ALA HB . 15252 1 329 . 1 1 38 38 ALA HB2 H 1 1.600 0.0 . . . . . . 38 ALA HB . 15252 1 330 . 1 1 38 38 ALA HB3 H 1 1.600 0.0 . . . . . . 38 ALA HB . 15252 1 331 . 1 1 38 38 ALA CA C 13 55.487 0.0 . . . . . . 38 ALA CA . 15252 1 332 . 1 1 38 38 ALA CB C 13 18.220 0.0 . . . . . . 38 ALA CB . 15252 1 333 . 1 1 38 38 ALA N N 15 122.434 0.0 . . . . . . 38 ALA N . 15252 1 334 . 1 1 39 39 TYR H H 1 8.192 0.0 . . . . . . 39 TYR H . 15252 1 335 . 1 1 39 39 TYR HA H 1 4.180 0.0 . . . . . . 39 TYR HA . 15252 1 336 . 1 1 39 39 TYR HB2 H 1 3.323 0.0 . . . . . . 39 TYR HB1 . 15252 1 337 . 1 1 39 39 TYR HD1 H 1 6.991 0.0 . . . . . . 39 TYR HD1 . 15252 1 338 . 1 1 39 39 TYR HE1 H 1 7.239 0.0 . . . . . . 39 TYR HE1 . 15252 1 339 . 1 1 39 39 TYR CA C 13 61.800 0.0 . . . . . . 39 TYR CA . 15252 1 340 . 1 1 39 39 TYR CB C 13 38.330 0.0 . . . . . . 39 TYR CB . 15252 1 341 . 1 1 39 39 TYR N N 15 121.325 0.0 . . . . . . 39 TYR N . 15252 1 342 . 1 1 40 40 TYR H H 1 8.668 0.0 . . . . . . 40 TYR H . 15252 1 343 . 1 1 40 40 TYR HA H 1 3.798 0.0 . . . . . . 40 TYR HA . 15252 1 344 . 1 1 40 40 TYR HB2 H 1 3.195 0.0 . . . . . . 40 TYR HB1 . 15252 1 345 . 1 1 40 40 TYR HB3 H 1 3.261 0.0 . . . . . . 40 TYR HB2 . 15252 1 346 . 1 1 40 40 TYR HD1 H 1 6.758 0.0 . . . . . . 40 TYR HD1 . 15252 1 347 . 1 1 40 40 TYR HE1 H 1 6.656 0.0 . . . . . . 40 TYR HE1 . 15252 1 348 . 1 1 40 40 TYR CA C 13 61.720 0.0 . . . . . . 40 TYR CA . 15252 1 349 . 1 1 40 40 TYR CB C 13 38.650 0.0 . . . . . . 40 TYR CB . 15252 1 350 . 1 1 40 40 TYR N N 15 122.108 0.0 . . . . . . 40 TYR N . 15252 1 351 . 1 1 41 41 LYS H H 1 8.183 0.0 . . . . . . 41 LYS H . 15252 1 352 . 1 1 41 41 LYS HA H 1 3.610 0.0 . . . . . . 41 LYS HA . 15252 1 353 . 1 1 41 41 LYS HB2 H 1 1.896 0.0 . . . . . . 41 LYS HB1 . 15252 1 354 . 1 1 41 41 LYS HB3 H 1 1.805 0.0 . . . . . . 41 LYS HB2 . 15252 1 355 . 1 1 41 41 LYS HD2 H 1 1.704 0.0 . . . . . . 41 LYS HD1 . 15252 1 356 . 1 1 41 41 LYS HE2 H 1 2.994 0.0 . . . . . . 41 LYS HE1 . 15252 1 357 . 1 1 41 41 LYS HG2 H 1 1.483 0.0 . . . . . . 41 LYS HG1 . 15252 1 358 . 1 1 41 41 LYS HG3 H 1 1.774 0.0 . . . . . . 41 LYS HG2 . 15252 1 359 . 1 1 41 41 LYS CA C 13 59.444 0.0 . . . . . . 41 LYS CA . 15252 1 360 . 1 1 41 41 LYS CB C 13 32.696 0.0 . . . . . . 41 LYS CB . 15252 1 361 . 1 1 41 41 LYS CD C 13 29.580 0.0 . . . . . . 41 LYS CD . 15252 1 362 . 1 1 41 41 LYS CE C 13 42.188 0.0 . . . . . . 41 LYS CE . 15252 1 363 . 1 1 41 41 LYS CG C 13 26.165 0.0 . . . . . . 41 LYS CG . 15252 1 364 . 1 1 41 41 LYS N N 15 117.815 0.0 . . . . . . 41 LYS N . 15252 1 365 . 1 1 42 42 LYS H H 1 7.485 0.0 . . . . . . 42 LYS H . 15252 1 366 . 1 1 42 42 LYS HA H 1 4.027 0.0 . . . . . . 42 LYS HA . 15252 1 367 . 1 1 42 42 LYS HB2 H 1 1.815 0.0 . . . . . . 42 LYS HB1 . 15252 1 368 . 1 1 42 42 LYS HD2 H 1 1.604 0.0 . . . . . . 42 LYS HD2 . 15252 1 369 . 1 1 42 42 LYS HE2 H 1 2.917 0.0 . . . . . . 42 LYS HE1 . 15252 1 370 . 1 1 42 42 LYS HG2 H 1 1.469 0.0 . . . . . . 42 LYS HG1 . 15252 1 371 . 1 1 42 42 LYS HG3 H 1 1.316 0.0 . . . . . . 42 LYS HG2 . 15252 1 372 . 1 1 42 42 LYS CA C 13 58.749 0.0 . . . . . . 42 LYS CA . 15252 1 373 . 1 1 42 42 LYS CB C 13 32.700 0.0 . . . . . . 42 LYS CB . 15252 1 374 . 1 1 42 42 LYS CD C 13 29.551 0.0 . . . . . . 42 LYS CD . 15252 1 375 . 1 1 42 42 LYS CE C 13 42.100 0.0 . . . . . . 42 LYS CE . 15252 1 376 . 1 1 42 42 LYS CG C 13 25.100 0.0 . . . . . . 42 LYS CG . 15252 1 377 . 1 1 42 42 LYS N N 15 119.190 0.0 . . . . . . 42 LYS N . 15252 1 378 . 1 1 43 43 ARG H H 1 7.941 0.0 . . . . . . 43 ARG H . 15252 1 379 . 1 1 43 43 ARG HA H 1 3.902 0.0 . . . . . . 43 ARG HA . 15252 1 380 . 1 1 43 43 ARG HB2 H 1 1.540 0.0 . . . . . . 43 ARG HB1 . 15252 1 381 . 1 1 43 43 ARG HB3 H 1 1.360 0.0 . . . . . . 43 ARG HB2 . 15252 1 382 . 1 1 43 43 ARG HG2 H 1 1.260 0.0 . . . . . . 43 ARG HG1 . 15252 1 383 . 1 1 43 43 ARG CA C 13 57.733 0.0 . . . . . . 43 ARG CA . 15252 1 384 . 1 1 43 43 ARG CB C 13 29.790 0.0 . . . . . . 43 ARG CB . 15252 1 385 . 1 1 43 43 ARG CD C 13 42.447 0.0 . . . . . . 43 ARG CD . 15252 1 386 . 1 1 43 43 ARG CG C 13 26.579 0.0 . . . . . . 43 ARG CG . 15252 1 387 . 1 1 43 43 ARG N N 15 120.668 0.0 . . . . . . 43 ARG N . 15252 1 388 . 1 1 44 44 VAL H H 1 7.960 0.0 . . . . . . 44 VAL H . 15252 1 389 . 1 1 44 44 VAL HA H 1 3.825 0.0 . . . . . . 44 VAL HA . 15252 1 390 . 1 1 44 44 VAL HB H 1 1.857 0.0 . . . . . . 44 VAL HB . 15252 1 391 . 1 1 44 44 VAL HG11 H 1 0.709 0.0 . . . . . . 44 VAL HG1 . 15252 1 392 . 1 1 44 44 VAL HG12 H 1 0.709 0.0 . . . . . . 44 VAL HG1 . 15252 1 393 . 1 1 44 44 VAL HG13 H 1 0.709 0.0 . . . . . . 44 VAL HG1 . 15252 1 394 . 1 1 44 44 VAL HG21 H 1 0.668 0.0 . . . . . . 44 VAL HG2 . 15252 1 395 . 1 1 44 44 VAL HG22 H 1 0.668 0.0 . . . . . . 44 VAL HG2 . 15252 1 396 . 1 1 44 44 VAL HG23 H 1 0.668 0.0 . . . . . . 44 VAL HG2 . 15252 1 397 . 1 1 44 44 VAL CA C 13 64.400 0.0 . . . . . . 44 VAL CA . 15252 1 398 . 1 1 44 44 VAL CB C 13 31.700 0.0 . . . . . . 44 VAL CB . 15252 1 399 . 1 1 44 44 VAL CG1 C 13 21.230 0.0 . . . . . . 44 VAL CG1 . 15252 1 400 . 1 1 44 44 VAL CG2 C 13 21.370 0.0 . . . . . . 44 VAL CG2 . 15252 1 401 . 1 1 44 44 VAL N N 15 118.660 0.0 . . . . . . 44 VAL N . 15252 1 402 . 1 1 45 45 LYS H H 1 7.388 0.0 . . . . . . 45 LYS H . 15252 1 403 . 1 1 45 45 LYS HA H 1 4.170 0.0 . . . . . . 45 LYS HA . 15252 1 404 . 1 1 45 45 LYS HB2 H 1 1.875 0.0 . . . . . . 45 LYS HB1 . 15252 1 405 . 1 1 45 45 LYS HB3 H 1 1.806 0.0 . . . . . . 45 LYS HB2 . 15252 1 406 . 1 1 45 45 LYS HD2 H 1 1.687 0.0 . . . . . . 45 LYS HD1 . 15252 1 407 . 1 1 45 45 LYS HE2 H 1 2.990 0.0 . . . . . . 45 LYS HE1 . 15252 1 408 . 1 1 45 45 LYS HG2 H 1 1.411 0.0 . . . . . . 45 LYS HG1 . 15252 1 409 . 1 1 45 45 LYS HG3 H 1 1.490 0.0 . . . . . . 45 LYS HG2 . 15252 1 410 . 1 1 45 45 LYS CA C 13 57.450 0.0 . . . . . . 45 LYS CA . 15252 1 411 . 1 1 45 45 LYS CB C 13 33.000 0.0 . . . . . . 45 LYS CB . 15252 1 412 . 1 1 45 45 LYS CD C 13 28.910 0.0 . . . . . . 45 LYS CD . 15252 1 413 . 1 1 45 45 LYS CE C 13 42.335 0.0 . . . . . . 45 LYS CE . 15252 1 414 . 1 1 45 45 LYS CG C 13 24.906 0.0 . . . . . . 45 LYS CG . 15252 1 415 . 1 1 45 45 LYS N N 15 120.950 0.0 . . . . . . 45 LYS N . 15252 1 416 . 1 1 46 46 GLU H H 1 7.864 0.0 . . . . . . 46 GLU H . 15252 1 417 . 1 1 46 46 GLU HA H 1 4.310 0.0 . . . . . . 46 GLU HA . 15252 1 418 . 1 1 46 46 GLU HB2 H 1 2.137 0.0 . . . . . . 46 GLU HB1 . 15252 1 419 . 1 1 46 46 GLU HB3 H 1 1.991 0.0 . . . . . . 46 GLU HB2 . 15252 1 420 . 1 1 46 46 GLU HG2 H 1 2.350 0.0 . . . . . . 46 GLU HG1 . 15252 1 421 . 1 1 46 46 GLU HG3 H 1 2.240 0.0 . . . . . . 46 GLU HG2 . 15252 1 422 . 1 1 46 46 GLU CA C 13 57.200 0.0 . . . . . . 46 GLU CA . 15252 1 423 . 1 1 46 46 GLU CB C 13 30.700 0.0 . . . . . . 46 GLU CB . 15252 1 424 . 1 1 46 46 GLU CG C 13 36.094 0.0 . . . . . . 46 GLU CG . 15252 1 425 . 1 1 46 46 GLU N N 15 118.865 0.0 . . . . . . 46 GLU N . 15252 1 426 . 1 1 47 47 THR H H 1 7.781 0.0 . . . . . . 47 THR H . 15252 1 427 . 1 1 47 47 THR HA H 1 4.450 0.0 . . . . . . 47 THR HA . 15252 1 428 . 1 1 47 47 THR HB H 1 4.130 0.0 . . . . . . 47 THR HB . 15252 1 429 . 1 1 47 47 THR HG1 H 1 4.786 0.0 . . . . . . 47 THR HG1 . 15252 1 430 . 1 1 47 47 THR HG21 H 1 1.140 0.0 . . . . . . 47 THR HG2 . 15252 1 431 . 1 1 47 47 THR HG22 H 1 1.140 0.0 . . . . . . 47 THR HG2 . 15252 1 432 . 1 1 47 47 THR HG23 H 1 1.140 0.0 . . . . . . 47 THR HG2 . 15252 1 433 . 1 1 47 47 THR CA C 13 61.540 0.0 . . . . . . 47 THR CA . 15252 1 434 . 1 1 47 47 THR CB C 13 70.692 0.0 . . . . . . 47 THR CB . 15252 1 435 . 1 1 47 47 THR CG2 C 13 21.540 0.0 . . . . . . 47 THR CG2 . 15252 1 436 . 1 1 47 47 THR N N 15 113.984 0.0 . . . . . . 47 THR N . 15252 1 437 . 1 1 48 48 GLU H H 1 8.244 0.0 . . . . . . 48 GLU H . 15252 1 438 . 1 1 48 48 GLU HA H 1 4.340 0.0 . . . . . . 48 GLU HA . 15252 1 439 . 1 1 48 48 GLU HB2 H 1 2.050 0.0 . . . . . . 48 GLU HB1 . 15252 1 440 . 1 1 48 48 GLU HB3 H 1 1.943 0.0 . . . . . . 48 GLU HB2 . 15252 1 441 . 1 1 48 48 GLU HG2 H 1 2.180 0.0 . . . . . . 48 GLU HG1 . 15252 1 442 . 1 1 48 48 GLU HG3 H 1 2.250 0.0 . . . . . . 48 GLU HG2 . 15252 1 443 . 1 1 48 48 GLU CA C 13 56.522 0.0 . . . . . . 48 GLU CA . 15252 1 444 . 1 1 48 48 GLU CB C 13 30.010 0.0 . . . . . . 48 GLU CB . 15252 1 445 . 1 1 48 48 GLU CG C 13 36.111 0.0 . . . . . . 48 GLU CG . 15252 1 446 . 1 1 48 48 GLU N N 15 122.670 0.0 . . . . . . 48 GLU N . 15252 1 447 . 1 1 49 49 LEU H H 1 8.246 0.0 . . . . . . 49 LEU H . 15252 1 448 . 1 1 49 49 LEU HA H 1 4.524 0.0 . . . . . . 49 LEU HA . 15252 1 449 . 1 1 49 49 LEU HB2 H 1 1.631 0.0 . . . . . . 49 LEU HB1 . 15252 1 450 . 1 1 49 49 LEU HD11 H 1 0.880 0.0 . . . . . . 49 LEU HD1 . 15252 1 451 . 1 1 49 49 LEU HD12 H 1 0.880 0.0 . . . . . . 49 LEU HD1 . 15252 1 452 . 1 1 49 49 LEU HD13 H 1 0.880 0.0 . . . . . . 49 LEU HD1 . 15252 1 453 . 1 1 49 49 LEU HD21 H 1 0.925 0.0 . . . . . . 49 LEU HD2 . 15252 1 454 . 1 1 49 49 LEU HD22 H 1 0.925 0.0 . . . . . . 49 LEU HD2 . 15252 1 455 . 1 1 49 49 LEU HD23 H 1 0.925 0.0 . . . . . . 49 LEU HD2 . 15252 1 456 . 1 1 49 49 LEU HG H 1 1.700 0.0 . . . . . . 49 LEU HG . 15252 1 457 . 1 1 49 49 LEU CA C 13 54.740 0.0 . . . . . . 49 LEU CA . 15252 1 458 . 1 1 49 49 LEU CB C 13 43.084 0.0 . . . . . . 49 LEU CB . 15252 1 459 . 1 1 49 49 LEU CD1 C 13 24.339 0.0 . . . . . . 49 LEU CD1 . 15252 1 460 . 1 1 49 49 LEU CD2 C 13 25.178 0.0 . . . . . . 49 LEU CD2 . 15252 1 461 . 1 1 49 49 LEU CG C 13 27.589 0.0 . . . . . . 49 LEU CG . 15252 1 462 . 1 1 49 49 LEU N N 15 125.190 0.0 . . . . . . 49 LEU N . 15252 1 463 . 1 1 50 50 LYS H H 1 8.775 0.0 . . . . . . 50 LYS H . 15252 1 464 . 1 1 50 50 LYS HA H 1 4.340 0.0 . . . . . . 50 LYS HA . 15252 1 465 . 1 1 50 50 LYS HB2 H 1 1.930 0.0 . . . . . . 50 LYS HB1 . 15252 1 466 . 1 1 50 50 LYS HB3 H 1 1.845 0.0 . . . . . . 50 LYS HB2 . 15252 1 467 . 1 1 50 50 LYS HD2 H 1 1.719 0.0 . . . . . . 50 LYS HD2 . 15252 1 468 . 1 1 50 50 LYS HE2 H 1 3.007 0.0 . . . . . . 50 LYS HE1 . 15252 1 469 . 1 1 50 50 LYS HG2 H 1 1.539 0.0 . . . . . . 50 LYS HG1 . 15252 1 470 . 1 1 50 50 LYS CA C 13 56.630 0.0 . . . . . . 50 LYS CA . 15252 1 471 . 1 1 50 50 LYS CB C 13 33.123 0.0 . . . . . . 50 LYS CB . 15252 1 472 . 1 1 50 50 LYS CD C 13 29.300 0.0 . . . . . . 50 LYS CD . 15252 1 473 . 1 1 50 50 LYS CE C 13 42.131 0.0 . . . . . . 50 LYS CE . 15252 1 474 . 1 1 50 50 LYS CG C 13 25.100 0.0 . . . . . . 50 LYS CG . 15252 1 475 . 1 1 50 50 LYS N N 15 124.371 0.0 . . . . . . 50 LYS N . 15252 1 476 . 1 1 51 51 ASP H H 1 8.803 0.0 . . . . . . 51 ASP H . 15252 1 477 . 1 1 51 51 ASP HA H 1 4.465 0.0 . . . . . . 51 ASP HA . 15252 1 478 . 1 1 51 51 ASP HB2 H 1 2.840 0.0 . . . . . . 51 ASP HB1 . 15252 1 479 . 1 1 51 51 ASP HB3 H 1 2.763 0.0 . . . . . . 51 ASP HB2 . 15252 1 480 . 1 1 51 51 ASP CA C 13 57.010 0.0 . . . . . . 51 ASP CA . 15252 1 481 . 1 1 51 51 ASP CB C 13 40.300 0.0 . . . . . . 51 ASP CB . 15252 1 482 . 1 1 51 51 ASP N N 15 125.395 0.0 . . . . . . 51 ASP N . 15252 1 483 . 1 1 52 52 THR H H 1 8.275 0.0 . . . . . . 52 THR H . 15252 1 484 . 1 1 52 52 THR HA H 1 4.074 0.0 . . . . . . 52 THR HA . 15252 1 485 . 1 1 52 52 THR HB H 1 4.247 0.0 . . . . . . 52 THR HB . 15252 1 486 . 1 1 52 52 THR HG21 H 1 1.290 0.0 . . . . . . 52 THR HG2 . 15252 1 487 . 1 1 52 52 THR HG22 H 1 1.290 0.0 . . . . . . 52 THR HG2 . 15252 1 488 . 1 1 52 52 THR HG23 H 1 1.290 0.0 . . . . . . 52 THR HG2 . 15252 1 489 . 1 1 52 52 THR CA C 13 64.330 0.0 . . . . . . 52 THR CA . 15252 1 490 . 1 1 52 52 THR CB C 13 68.640 0.0 . . . . . . 52 THR CB . 15252 1 491 . 1 1 52 52 THR CG2 C 13 22.430 0.0 . . . . . . 52 THR CG2 . 15252 1 492 . 1 1 52 52 THR N N 15 112.288 0.0 . . . . . . 52 THR N . 15252 1 493 . 1 1 53 53 ASP H H 1 7.540 0.0 . . . . . . 53 ASP H . 15252 1 494 . 1 1 53 53 ASP HA H 1 4.632 0.0 . . . . . . 53 ASP HA . 15252 1 495 . 1 1 53 53 ASP HB2 H 1 2.867 0.0 . . . . . . 53 ASP HB1 . 15252 1 496 . 1 1 53 53 ASP HB3 H 1 2.696 0.0 . . . . . . 53 ASP HB2 . 15252 1 497 . 1 1 53 53 ASP CA C 13 56.870 0.0 . . . . . . 53 ASP CA . 15252 1 498 . 1 1 53 53 ASP CB C 13 41.300 0.0 . . . . . . 53 ASP CB . 15252 1 499 . 1 1 53 53 ASP N N 15 123.911 0.0 . . . . . . 53 ASP N . 15252 1 500 . 1 1 54 54 ASP H H 1 8.190 0.0 . . . . . . 54 ASP H . 15252 1 501 . 1 1 54 54 ASP HA H 1 4.560 0.0 . . . . . . 54 ASP HA . 15252 1 502 . 1 1 54 54 ASP HB2 H 1 2.862 0.0 . . . . . . 54 ASP HB1 . 15252 1 503 . 1 1 54 54 ASP HB3 H 1 2.710 0.0 . . . . . . 54 ASP HB2 . 15252 1 504 . 1 1 54 54 ASP CA C 13 57.230 0.0 . . . . . . 54 ASP CA . 15252 1 505 . 1 1 54 54 ASP CB C 13 42.400 0.0 . . . . . . 54 ASP CB . 15252 1 506 . 1 1 54 54 ASP N N 15 121.972 0.0 . . . . . . 54 ASP N . 15252 1 507 . 1 1 55 55 ILE H H 1 8.057 0.0 . . . . . . 55 ILE H . 15252 1 508 . 1 1 55 55 ILE HA H 1 3.692 0.0 . . . . . . 55 ILE HA . 15252 1 509 . 1 1 55 55 ILE HB H 1 1.871 0.0 . . . . . . 55 ILE HB . 15252 1 510 . 1 1 55 55 ILE HD11 H 1 0.861 0.0 . . . . . . 55 ILE HD1 . 15252 1 511 . 1 1 55 55 ILE HD12 H 1 0.861 0.0 . . . . . . 55 ILE HD1 . 15252 1 512 . 1 1 55 55 ILE HD13 H 1 0.861 0.0 . . . . . . 55 ILE HD1 . 15252 1 513 . 1 1 55 55 ILE HG12 H 1 1.210 0.0 . . . . . . 55 ILE HG11 . 15252 1 514 . 1 1 55 55 ILE HG13 H 1 1.679 0.0 . . . . . . 55 ILE HG12 . 15252 1 515 . 1 1 55 55 ILE HG21 H 1 0.930 0.0 . . . . . . 55 ILE HG2 . 15252 1 516 . 1 1 55 55 ILE HG22 H 1 0.930 0.0 . . . . . . 55 ILE HG2 . 15252 1 517 . 1 1 55 55 ILE HG23 H 1 0.930 0.0 . . . . . . 55 ILE HG2 . 15252 1 518 . 1 1 55 55 ILE CA C 13 64.490 0.0 . . . . . . 55 ILE CA . 15252 1 519 . 1 1 55 55 ILE CB C 13 38.220 0.0 . . . . . . 55 ILE CB . 15252 1 520 . 1 1 55 55 ILE CD1 C 13 13.354 0.0 . . . . . . 55 ILE CD1 . 15252 1 521 . 1 1 55 55 ILE CG1 C 13 28.900 0.0 . . . . . . 55 ILE CG1 . 15252 1 522 . 1 1 55 55 ILE CG2 C 13 17.384 0.0 . . . . . . 55 ILE CG2 . 15252 1 523 . 1 1 55 55 ILE N N 15 119.685 0.0 . . . . . . 55 ILE N . 15252 1 524 . 1 1 56 56 SER H H 1 7.831 0.0 . . . . . . 56 SER H . 15252 1 525 . 1 1 56 56 SER HA H 1 4.270 0.0 . . . . . . 56 SER HA . 15252 1 526 . 1 1 56 56 SER HB2 H 1 3.948 0.0 . . . . . . 56 SER HB1 . 15252 1 527 . 1 1 56 56 SER HB3 H 1 4.095 0.0 . . . . . . 56 SER HB2 . 15252 1 528 . 1 1 56 56 SER CA C 13 62.200 0.0 . . . . . . 56 SER CA . 15252 1 529 . 1 1 56 56 SER CB C 13 63.120 0.0 . . . . . . 56 SER CB . 15252 1 530 . 1 1 56 56 SER N N 15 116.672 0.0 . . . . . . 56 SER N . 15252 1 531 . 1 1 57 57 VAL H H 1 8.261 0.0 . . . . . . 57 VAL H . 15252 1 532 . 1 1 57 57 VAL HA H 1 3.571 0.0 . . . . . . 57 VAL HA . 15252 1 533 . 1 1 57 57 VAL HB H 1 2.020 0.0 . . . . . . 57 VAL HB . 15252 1 534 . 1 1 57 57 VAL HG11 H 1 1.041 0.0 . . . . . . 57 VAL HG1 . 15252 1 535 . 1 1 57 57 VAL HG12 H 1 1.041 0.0 . . . . . . 57 VAL HG1 . 15252 1 536 . 1 1 57 57 VAL HG13 H 1 1.041 0.0 . . . . . . 57 VAL HG1 . 15252 1 537 . 1 1 57 57 VAL HG21 H 1 0.444 0.0 . . . . . . 57 VAL HG2 . 15252 1 538 . 1 1 57 57 VAL HG22 H 1 0.444 0.0 . . . . . . 57 VAL HG2 . 15252 1 539 . 1 1 57 57 VAL HG23 H 1 0.444 0.0 . . . . . . 57 VAL HG2 . 15252 1 540 . 1 1 57 57 VAL CA C 13 66.860 0.0 . . . . . . 57 VAL CA . 15252 1 541 . 1 1 57 57 VAL CB C 13 31.800 0.0 . . . . . . 57 VAL CB . 15252 1 542 . 1 1 57 57 VAL CG1 C 13 23.100 0.0 . . . . . . 57 VAL CG1 . 15252 1 543 . 1 1 57 57 VAL CG2 C 13 22.300 0.0 . . . . . . 57 VAL CG2 . 15252 1 544 . 1 1 57 57 VAL N N 15 124.800 0.0 . . . . . . 57 VAL N . 15252 1 545 . 1 1 58 58 ARG H H 1 8.350 0.0 . . . . . . 58 ARG H . 15252 1 546 . 1 1 58 58 ARG HA H 1 3.700 0.0 . . . . . . 58 ARG HA . 15252 1 547 . 1 1 58 58 ARG HB2 H 1 2.014 0.0 . . . . . . 58 ARG HB1 . 15252 1 548 . 1 1 58 58 ARG HB3 H 1 1.901 0.0 . . . . . . 58 ARG HB2 . 15252 1 549 . 1 1 58 58 ARG HD2 H 1 3.316 0.0 . . . . . . 58 ARG HD1 . 15252 1 550 . 1 1 58 58 ARG HD3 H 1 3.248 0.0 . . . . . . 58 ARG HD2 . 15252 1 551 . 1 1 58 58 ARG HG2 H 1 1.890 0.0 . . . . . . 58 ARG HG1 . 15252 1 552 . 1 1 58 58 ARG HG3 H 1 1.520 0.0 . . . . . . 58 ARG HG2 . 15252 1 553 . 1 1 58 58 ARG CA C 13 60.700 0.0 . . . . . . 58 ARG CA . 15252 1 554 . 1 1 58 58 ARG CB C 13 29.950 0.0 . . . . . . 58 ARG CB . 15252 1 555 . 1 1 58 58 ARG CD C 13 43.905 0.0 . . . . . . 58 ARG CD . 15252 1 556 . 1 1 58 58 ARG CG C 13 28.710 0.0 . . . . . . 58 ARG CG . 15252 1 557 . 1 1 58 58 ARG N N 15 121.288 0.0 . . . . . . 58 ARG N . 15252 1 558 . 1 1 59 59 ASP H H 1 8.789 0.0 . . . . . . 59 ASP H . 15252 1 559 . 1 1 59 59 ASP HA H 1 4.458 0.0 . . . . . . 59 ASP HA . 15252 1 560 . 1 1 59 59 ASP HB2 H 1 2.610 0.0 . . . . . . 59 ASP HB1 . 15252 1 561 . 1 1 59 59 ASP HB3 H 1 2.790 0.0 . . . . . . 59 ASP HB2 . 15252 1 562 . 1 1 59 59 ASP CA C 13 57.380 0.0 . . . . . . 59 ASP CA . 15252 1 563 . 1 1 59 59 ASP CB C 13 40.100 0.0 . . . . . . 59 ASP CB . 15252 1 564 . 1 1 59 59 ASP N N 15 121.712 0.0 . . . . . . 59 ASP N . 15252 1 565 . 1 1 60 60 ALA H H 1 8.012 0.0 . . . . . . 60 ALA H . 15252 1 566 . 1 1 60 60 ALA HA H 1 4.250 0.0 . . . . . . 60 ALA HA . 15252 1 567 . 1 1 60 60 ALA HB1 H 1 1.536 0.0 . . . . . . 60 ALA HB . 15252 1 568 . 1 1 60 60 ALA HB2 H 1 1.536 0.0 . . . . . . 60 ALA HB . 15252 1 569 . 1 1 60 60 ALA HB3 H 1 1.536 0.0 . . . . . . 60 ALA HB . 15252 1 570 . 1 1 60 60 ALA CA C 13 55.190 0.0 . . . . . . 60 ALA CA . 15252 1 571 . 1 1 60 60 ALA CB C 13 18.550 0.0 . . . . . . 60 ALA CB . 15252 1 572 . 1 1 60 60 ALA N N 15 126.734 0.0 . . . . . . 60 ALA N . 15252 1 573 . 1 1 61 61 LEU H H 1 8.691 0.0 . . . . . . 61 LEU H . 15252 1 574 . 1 1 61 61 LEU HA H 1 3.884 0.0 . . . . . . 61 LEU HA . 15252 1 575 . 1 1 61 61 LEU HB2 H 1 2.000 0.0 . . . . . . 61 LEU HB1 . 15252 1 576 . 1 1 61 61 LEU HB3 H 1 1.495 0.0 . . . . . . 61 LEU HB2 . 15252 1 577 . 1 1 61 61 LEU HD11 H 1 0.784 0.0 . . . . . . 61 LEU HD1 . 15252 1 578 . 1 1 61 61 LEU HD12 H 1 0.784 0.0 . . . . . . 61 LEU HD1 . 15252 1 579 . 1 1 61 61 LEU HD13 H 1 0.784 0.0 . . . . . . 61 LEU HD1 . 15252 1 580 . 1 1 61 61 LEU HG H 1 1.811 0.0 . . . . . . 61 LEU HG . 15252 1 581 . 1 1 61 61 LEU CA C 13 58.550 0.0 . . . . . . 61 LEU CA . 15252 1 582 . 1 1 61 61 LEU CB C 13 42.119 0.0 . . . . . . 61 LEU CB . 15252 1 583 . 1 1 61 61 LEU CD1 C 13 24.362 0.0 . . . . . . 61 LEU CD1 . 15252 1 584 . 1 1 61 61 LEU CG C 13 27.100 0.0 . . . . . . 61 LEU CG . 15252 1 585 . 1 1 61 61 LEU N N 15 121.826 0.0 . . . . . . 61 LEU N . 15252 1 586 . 1 1 62 62 ALA H H 1 8.060 0.0 . . . . . . 62 ALA H . 15252 1 587 . 1 1 62 62 ALA HA H 1 4.124 0.0 . . . . . . 62 ALA HA . 15252 1 588 . 1 1 62 62 ALA HB1 H 1 1.541 0.0 . . . . . . 62 ALA HB . 15252 1 589 . 1 1 62 62 ALA HB2 H 1 1.541 0.0 . . . . . . 62 ALA HB . 15252 1 590 . 1 1 62 62 ALA HB3 H 1 1.541 0.0 . . . . . . 62 ALA HB . 15252 1 591 . 1 1 62 62 ALA CA C 13 55.200 0.0 . . . . . . 62 ALA CA . 15252 1 592 . 1 1 62 62 ALA CB C 13 18.300 0.0 . . . . . . 62 ALA CB . 15252 1 593 . 1 1 62 62 ALA N N 15 122.828 0.0 . . . . . . 62 ALA N . 15252 1 594 . 1 1 63 63 GLY H H 1 8.576 0.0 . . . . . . 63 GLY H . 15252 1 595 . 1 1 63 63 GLY HA2 H 1 3.913 0.0 . . . . . . 63 GLY HA1 . 15252 1 596 . 1 1 63 63 GLY CA C 13 46.900 0.0 . . . . . . 63 GLY CA . 15252 1 597 . 1 1 63 63 GLY N N 15 108.903 0.0 . . . . . . 63 GLY N . 15252 1 598 . 1 1 64 64 LYS H H 1 8.041 0.0 . . . . . . 64 LYS H . 15252 1 599 . 1 1 64 64 LYS HA H 1 4.292 0.0 . . . . . . 64 LYS HA . 15252 1 600 . 1 1 64 64 LYS HB2 H 1 1.888 0.0 . . . . . . 64 LYS HB1 . 15252 1 601 . 1 1 64 64 LYS HB3 H 1 1.776 0.0 . . . . . . 64 LYS HB2 . 15252 1 602 . 1 1 64 64 LYS HG2 H 1 1.398 0.0 . . . . . . 64 LYS HG1 . 15252 1 603 . 1 1 64 64 LYS HG3 H 1 1.628 0.0 . . . . . . 64 LYS HG2 . 15252 1 604 . 1 1 64 64 LYS CA C 13 56.500 0.0 . . . . . . 64 LYS CA . 15252 1 605 . 1 1 64 64 LYS CB C 13 29.750 0.0 . . . . . . 64 LYS CB . 15252 1 606 . 1 1 64 64 LYS CD C 13 29.220 0.0 . . . . . . 64 LYS CD . 15252 1 607 . 1 1 64 64 LYS CE C 13 41.339 0.0 . . . . . . 64 LYS CE . 15252 1 608 . 1 1 64 64 LYS CG C 13 24.453 0.0 . . . . . . 64 LYS CG . 15252 1 609 . 1 1 64 64 LYS N N 15 124.600 0.0 . . . . . . 64 LYS N . 15252 1 610 . 1 1 65 65 ARG H H 1 8.207 0.0 . . . . . . 65 ARG H . 15252 1 611 . 1 1 65 65 ARG HA H 1 3.560 0.0 . . . . . . 65 ARG HA . 15252 1 612 . 1 1 65 65 ARG HB2 H 1 1.910 0.0 . . . . . . 65 ARG HB1 . 15252 1 613 . 1 1 65 65 ARG HD2 H 1 3.000 0.0 . . . . . . 65 ARG HD1 . 15252 1 614 . 1 1 65 65 ARG HD3 H 1 3.385 0.0 . . . . . . 65 ARG HD2 . 15252 1 615 . 1 1 65 65 ARG HE H 1 7.141 0.0 . . . . . . 65 ARG HE . 15252 1 616 . 1 1 65 65 ARG HG2 H 1 1.337 0.0 . . . . . . 65 ARG HG1 . 15252 1 617 . 1 1 65 65 ARG HG3 H 1 1.495 0.0 . . . . . . 65 ARG HG2 . 15252 1 618 . 1 1 65 65 ARG CA C 13 60.700 0.0 . . . . . . 65 ARG CA . 15252 1 619 . 1 1 65 65 ARG CB C 13 29.660 0.0 . . . . . . 65 ARG CB . 15252 1 620 . 1 1 65 65 ARG CD C 13 42.777 0.0 . . . . . . 65 ARG CD . 15252 1 621 . 1 1 65 65 ARG CG C 13 28.150 0.0 . . . . . . 65 ARG CG . 15252 1 622 . 1 1 65 65 ARG N N 15 121.604 0.0 . . . . . . 65 ARG N . 15252 1 623 . 1 1 66 66 ALA H H 1 7.625 0.0 . . . . . . 66 ALA H . 15252 1 624 . 1 1 66 66 ALA HA H 1 4.153 0.0 . . . . . . 66 ALA HA . 15252 1 625 . 1 1 66 66 ALA HB1 H 1 1.495 0.0 . . . . . . 66 ALA HB . 15252 1 626 . 1 1 66 66 ALA HB2 H 1 1.495 0.0 . . . . . . 66 ALA HB . 15252 1 627 . 1 1 66 66 ALA HB3 H 1 1.495 0.0 . . . . . . 66 ALA HB . 15252 1 628 . 1 1 66 66 ALA CA C 13 54.900 0.0 . . . . . . 66 ALA CA . 15252 1 629 . 1 1 66 66 ALA CB C 13 17.880 0.0 . . . . . . 66 ALA CB . 15252 1 630 . 1 1 66 66 ALA N N 15 119.850 0.0 . . . . . . 66 ALA N . 15252 1 631 . 1 1 67 67 GLU H H 1 7.608 0.0 . . . . . . 67 GLU H . 15252 1 632 . 1 1 67 67 GLU HA H 1 4.089 0.0 . . . . . . 67 GLU HA . 15252 1 633 . 1 1 67 67 GLU HB2 H 1 2.234 0.0 . . . . . . 67 GLU HB2 . 15252 1 634 . 1 1 67 67 GLU HG2 H 1 2.478 0.0 . . . . . . 67 GLU HG1 . 15252 1 635 . 1 1 67 67 GLU HG3 H 1 2.140 0.0 . . . . . . 67 GLU HG2 . 15252 1 636 . 1 1 67 67 GLU CA C 13 59.120 0.0 . . . . . . 67 GLU CA . 15252 1 637 . 1 1 67 67 GLU CB C 13 30.582 0.0 . . . . . . 67 GLU CB . 15252 1 638 . 1 1 67 67 GLU CG C 13 36.240 0.0 . . . . . . 67 GLU CG . 15252 1 639 . 1 1 67 67 GLU N N 15 118.592 0.0 . . . . . . 67 GLU N . 15252 1 640 . 1 1 68 68 LEU H H 1 8.011 0.0 . . . . . . 68 LEU H . 15252 1 641 . 1 1 68 68 LEU HA H 1 4.257 0.0 . . . . . . 68 LEU HA . 15252 1 642 . 1 1 68 68 LEU HB2 H 1 1.804 0.0 . . . . . . 68 LEU HB1 . 15252 1 643 . 1 1 68 68 LEU HB3 H 1 1.342 0.0 . . . . . . 68 LEU HB2 . 15252 1 644 . 1 1 68 68 LEU HD11 H 1 0.733 0.0 . . . . . . 68 LEU HD1 . 15252 1 645 . 1 1 68 68 LEU HD12 H 1 0.733 0.0 . . . . . . 68 LEU HD1 . 15252 1 646 . 1 1 68 68 LEU HD13 H 1 0.733 0.0 . . . . . . 68 LEU HD1 . 15252 1 647 . 1 1 68 68 LEU HD21 H 1 0.565 0.0 . . . . . . 68 LEU HD2 . 15252 1 648 . 1 1 68 68 LEU HD22 H 1 0.565 0.0 . . . . . . 68 LEU HD2 . 15252 1 649 . 1 1 68 68 LEU HD23 H 1 0.565 0.0 . . . . . . 68 LEU HD2 . 15252 1 650 . 1 1 68 68 LEU HG H 1 1.810 0.0 . . . . . . 68 LEU HG . 15252 1 651 . 1 1 68 68 LEU CA C 13 56.431 0.0 . . . . . . 68 LEU CA . 15252 1 652 . 1 1 68 68 LEU CB C 13 42.700 0.0 . . . . . . 68 LEU CB . 15252 1 653 . 1 1 68 68 LEU CD1 C 13 22.143 0.0 . . . . . . 68 LEU CD1 . 15252 1 654 . 1 1 68 68 LEU CD2 C 13 26.600 0.0 . . . . . . 68 LEU CD2 . 15252 1 655 . 1 1 68 68 LEU CG C 13 26.604 0.0 . . . . . . 68 LEU CG . 15252 1 656 . 1 1 68 68 LEU N N 15 119.000 0.0 . . . . . . 68 LEU N . 15252 1 657 . 1 1 69 69 GLU H H 1 8.270 0.0 . . . . . . 69 GLU H . 15252 1 658 . 1 1 69 69 GLU HA H 1 4.201 0.0 . . . . . . 69 GLU HA . 15252 1 659 . 1 1 69 69 GLU HB2 H 1 2.058 0.0 . . . . . . 69 GLU HB1 . 15252 1 660 . 1 1 69 69 GLU HG2 H 1 2.526 0.0 . . . . . . 69 GLU HG1 . 15252 1 661 . 1 1 69 69 GLU HG3 H 1 2.254 0.0 . . . . . . 69 GLU HG2 . 15252 1 662 . 1 1 69 69 GLU CA C 13 57.780 0.0 . . . . . . 69 GLU CA . 15252 1 663 . 1 1 69 69 GLU CB C 13 30.395 0.0 . . . . . . 69 GLU CB . 15252 1 664 . 1 1 69 69 GLU CG C 13 37.210 0.0 . . . . . . 69 GLU CG . 15252 1 665 . 1 1 69 69 GLU N N 15 120.600 0.0 . . . . . . 69 GLU N . 15252 1 666 . 1 1 70 70 ASP H H 1 7.781 0.0 . . . . . . 70 ASP H . 15252 1 667 . 1 1 70 70 ASP HA H 1 4.348 0.0 . . . . . . 70 ASP HA . 15252 1 668 . 1 1 70 70 ASP HB2 H 1 2.825 0.0 . . . . . . 70 ASP HB1 . 15252 1 669 . 1 1 70 70 ASP HB3 H 1 2.692 0.0 . . . . . . 70 ASP HB2 . 15252 1 670 . 1 1 70 70 ASP CA C 13 54.550 0.0 . . . . . . 70 ASP CA . 15252 1 671 . 1 1 70 70 ASP CB C 13 41.230 0.0 . . . . . . 70 ASP CB . 15252 1 672 . 1 1 70 70 ASP N N 15 121.602 0.0 . . . . . . 70 ASP N . 15252 1 673 . 1 1 71 71 SER H H 1 8.110 0.0 . . . . . . 71 SER H . 15252 1 674 . 1 1 71 71 SER HA H 1 4.510 0.0 . . . . . . 71 SER HA . 15252 1 675 . 1 1 71 71 SER HB2 H 1 3.942 0.0 . . . . . . 71 SER HB1 . 15252 1 676 . 1 1 71 71 SER HB3 H 1 3.886 0.0 . . . . . . 71 SER HB2 . 15252 1 677 . 1 1 71 71 SER CA C 13 58.550 0.0 . . . . . . 71 SER CA . 15252 1 678 . 1 1 71 71 SER CB C 13 64.520 0.0 . . . . . . 71 SER CB . 15252 1 679 . 1 1 71 71 SER N N 15 117.156 0.0 . . . . . . 71 SER N . 15252 1 680 . 1 1 72 72 ASP H H 1 8.431 0.0 . . . . . . 72 ASP H . 15252 1 681 . 1 1 72 72 ASP HA H 1 4.704 0.0 . . . . . . 72 ASP HA . 15252 1 682 . 1 1 72 72 ASP HB2 H 1 2.750 0.0 . . . . . . 72 ASP HB1 . 15252 1 683 . 1 1 72 72 ASP HB3 H 1 2.659 0.0 . . . . . . 72 ASP HB2 . 15252 1 684 . 1 1 72 72 ASP CA C 13 54.530 0.0 . . . . . . 72 ASP CA . 15252 1 685 . 1 1 72 72 ASP CB C 13 41.540 0.0 . . . . . . 72 ASP CB . 15252 1 686 . 1 1 72 72 ASP N N 15 124.451 0.0 . . . . . . 72 ASP N . 15252 1 687 . 1 1 73 73 ASP H H 1 8.304 0.0 . . . . . . 73 ASP H . 15252 1 688 . 1 1 73 73 ASP HA H 1 4.614 0.0 . . . . . . 73 ASP HA . 15252 1 689 . 1 1 73 73 ASP HB2 H 1 2.692 0.0 . . . . . . 73 ASP HB1 . 15252 1 690 . 1 1 73 73 ASP HB3 H 1 2.603 0.0 . . . . . . 73 ASP HB2 . 15252 1 691 . 1 1 73 73 ASP CA C 13 54.567 0.0 . . . . . . 73 ASP CA . 15252 1 692 . 1 1 73 73 ASP CB C 13 41.360 0.0 . . . . . . 73 ASP CB . 15252 1 693 . 1 1 73 73 ASP N N 15 122.380 0.0 . . . . . . 73 ASP N . 15252 1 694 . 1 1 74 74 GLU H H 1 8.374 0.0 . . . . . . 74 GLU H . 15252 1 695 . 1 1 74 74 GLU HA H 1 4.320 0.0 . . . . . . 74 GLU HA . 15252 1 696 . 1 1 74 74 GLU HB2 H 1 2.053 0.0 . . . . . . 74 GLU HB1 . 15252 1 697 . 1 1 74 74 GLU HB3 H 1 1.956 0.0 . . . . . . 74 GLU HB2 . 15252 1 698 . 1 1 74 74 GLU HG2 H 1 2.240 0.0 . . . . . . 74 GLU HG1 . 15252 1 699 . 1 1 74 74 GLU HG3 H 1 2.300 0.0 . . . . . . 74 GLU HG2 . 15252 1 700 . 1 1 74 74 GLU CA C 13 56.610 0.0 . . . . . . 74 GLU CA . 15252 1 701 . 1 1 74 74 GLU CB C 13 30.490 0.0 . . . . . . 74 GLU CB . 15252 1 702 . 1 1 74 74 GLU CG C 13 36.039 0.0 . . . . . . 74 GLU CG . 15252 1 703 . 1 1 74 74 GLU N N 15 122.770 0.0 . . . . . . 74 GLU N . 15252 1 704 . 1 1 75 75 VAL H H 1 8.223 0.0 . . . . . . 75 VAL H . 15252 1 705 . 1 1 75 75 VAL HA H 1 4.121 0.0 . . . . . . 75 VAL HA . 15252 1 706 . 1 1 75 75 VAL HB H 1 2.062 0.0 . . . . . . 75 VAL HB . 15252 1 707 . 1 1 75 75 VAL HG11 H 1 0.944 0.0 . . . . . . 75 VAL HG1 . 15252 1 708 . 1 1 75 75 VAL HG12 H 1 0.944 0.0 . . . . . . 75 VAL HG1 . 15252 1 709 . 1 1 75 75 VAL HG13 H 1 0.944 0.0 . . . . . . 75 VAL HG1 . 15252 1 710 . 1 1 75 75 VAL HG21 H 1 0.952 0.0 . . . . . . 75 VAL HG2 . 15252 1 711 . 1 1 75 75 VAL HG22 H 1 0.952 0.0 . . . . . . 75 VAL HG2 . 15252 1 712 . 1 1 75 75 VAL HG23 H 1 0.952 0.0 . . . . . . 75 VAL HG2 . 15252 1 713 . 1 1 75 75 VAL CA C 13 62.220 0.0 . . . . . . 75 VAL CA . 15252 1 714 . 1 1 75 75 VAL CB C 13 33.234 0.0 . . . . . . 75 VAL CB . 15252 1 715 . 1 1 75 75 VAL CG1 C 13 21.478 0.0 . . . . . . 75 VAL CG1 . 15252 1 716 . 1 1 75 75 VAL CG2 C 13 20.740 0.0 . . . . . . 75 VAL CG2 . 15252 1 717 . 1 1 75 75 VAL N N 15 123.295 0.0 . . . . . . 75 VAL N . 15252 1 718 . 1 1 76 76 GLU H H 1 8.507 0.0 . . . . . . 76 GLU H . 15252 1 719 . 1 1 76 76 GLU HA H 1 4.306 0.0 . . . . . . 76 GLU HA . 15252 1 720 . 1 1 76 76 GLU HB2 H 1 2.019 0.0 . . . . . . 76 GLU HB1 . 15252 1 721 . 1 1 76 76 GLU HB3 H 1 1.934 0.0 . . . . . . 76 GLU HB2 . 15252 1 722 . 1 1 76 76 GLU HG2 H 1 2.234 0.0 . . . . . . 76 GLU HG1 . 15252 1 723 . 1 1 76 76 GLU HG3 H 1 2.273 0.0 . . . . . . 76 GLU HG2 . 15252 1 724 . 1 1 76 76 GLU CA C 13 56.570 0.0 . . . . . . 76 GLU CA . 15252 1 725 . 1 1 76 76 GLU CB C 13 30.521 0.0 . . . . . . 76 GLU CB . 15252 1 726 . 1 1 76 76 GLU CG C 13 36.250 0.0 . . . . . . 76 GLU CG . 15252 1 727 . 1 1 76 76 GLU N N 15 126.957 0.0 . . . . . . 76 GLU N . 15252 1 728 . 1 1 77 77 GLU H H 1 8.500 0.0 . . . . . . 77 GLU H . 15252 1 729 . 1 1 77 77 GLU HA H 1 4.323 0.0 . . . . . . 77 GLU HA . 15252 1 730 . 1 1 77 77 GLU HB2 H 1 1.930 0.0 . . . . . . 77 GLU HB2 . 15252 1 731 . 1 1 77 77 GLU HG2 H 1 2.224 0.0 . . . . . . 77 GLU HG1 . 15252 1 732 . 1 1 77 77 GLU HG3 H 1 2.287 0.0 . . . . . . 77 GLU HG2 . 15252 1 733 . 1 1 77 77 GLU CA C 13 56.560 0.0 . . . . . . 77 GLU CA . 15252 1 734 . 1 1 77 77 GLU CB C 13 30.569 0.0 . . . . . . 77 GLU CB . 15252 1 735 . 1 1 77 77 GLU CG C 13 36.250 0.0 . . . . . . 77 GLU CG . 15252 1 736 . 1 1 77 77 GLU N N 15 124.615 0.0 . . . . . . 77 GLU N . 15252 1 737 . 1 1 78 78 SER H H 1 8.300 0.0 . . . . . . 78 SER H . 15252 1 738 . 1 1 78 78 SER HA H 1 4.426 0.0 . . . . . . 78 SER HA . 15252 1 739 . 1 1 78 78 SER HB2 H 1 3.778 0.0 . . . . . . 78 SER HB2 . 15252 1 740 . 1 1 78 78 SER HG H 1 4.785 0.0 . . . . . . 78 SER HG . 15252 1 741 . 1 1 78 78 SER CA C 13 58.120 0.0 . . . . . . 78 SER CA . 15252 1 742 . 1 1 78 78 SER CB C 13 64.380 0.0 . . . . . . 78 SER CB . 15252 1 743 . 1 1 78 78 SER N N 15 119.083 0.0 . . . . . . 78 SER N . 15252 1 744 . 1 1 79 79 PHE H H 1 7.853 0.0 . . . . . . 79 PHE H . 15252 1 745 . 1 1 79 79 PHE HA H 1 4.470 0.0 . . . . . . 79 PHE HA . 15252 1 746 . 1 1 79 79 PHE HB2 H 1 3.182 0.0 . . . . . . 79 PHE HB1 . 15252 1 747 . 1 1 79 79 PHE HB3 H 1 2.958 0.0 . . . . . . 79 PHE HB2 . 15252 1 748 . 1 1 79 79 PHE HD1 H 1 7.254 0.0 . . . . . . 79 PHE HD1 . 15252 1 749 . 1 1 79 79 PHE CA C 13 59.320 0.0 . . . . . . 79 PHE CA . 15252 1 750 . 1 1 79 79 PHE CB C 13 40.620 0.0 . . . . . . 79 PHE CB . 15252 1 751 . 1 1 79 79 PHE N N 15 128.353 0.0 . . . . . . 79 PHE N . 15252 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 15252 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 13 '2D 1H-15N HSQC, Steady state {1H}-15N NOE' . . . 15252 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 2 $Felix . . 15252 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 4 4 MET N N 15 . 1 1 4 4 MET H H 1 -1.161 0.566 . . . . . . . . . . 15252 1 2 . 1 1 6 6 LEU N N 15 . 1 1 6 6 LEU H H 1 0.101 0.015 . . . . . . . . . . 15252 1 3 . 1 1 10 10 GLN N N 15 . 1 1 10 10 GLN H H 1 0.340 0.029 . . . . . . . . . . 15252 1 4 . 1 1 11 11 PHE N N 15 . 1 1 11 11 PHE H H 1 0.659 0.046 . . . . . . . . . . 15252 1 5 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.597 0.093 . . . . . . . . . . 15252 1 6 . 1 1 13 13 TYR N N 15 . 1 1 13 13 TYR H H 1 0.711 0.059 . . . . . . . . . . 15252 1 7 . 1 1 14 14 GLU N N 15 . 1 1 14 14 GLU H H 1 0.605 0.162 . . . . . . . . . . 15252 1 8 . 1 1 15 15 ALA N N 15 . 1 1 15 15 ALA H H 1 0.653 0.041 . . . . . . . . . . 15252 1 9 . 1 1 16 16 SER N N 15 . 1 1 16 16 SER H H 1 0.792 0.033 . . . . . . . . . . 15252 1 10 . 1 1 17 17 ILE N N 15 . 1 1 17 17 ILE H H 1 0.318 0.040 . . . . . . . . . . 15252 1 11 . 1 1 18 18 ASP N N 15 . 1 1 18 18 ASP H H 1 0.608 0.013 . . . . . . . . . . 15252 1 12 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.249 0.007 . . . . . . . . . . 15252 1 13 . 1 1 20 20 PHE N N 15 . 1 1 20 20 PHE H H 1 0.273 0.011 . . . . . . . . . . 15252 1 14 . 1 1 21 21 MET N N 15 . 1 1 21 21 MET H H 1 0.818 0.024 . . . . . . . . . . 15252 1 15 . 1 1 22 22 GLY N N 15 . 1 1 22 22 GLY H H 1 0.800 0.001 . . . . . . . . . . 15252 1 16 . 1 1 23 23 LYS N N 15 . 1 1 23 23 LYS H H 1 0.770 0.022 . . . . . . . . . . 15252 1 17 . 1 1 24 24 ILE N N 15 . 1 1 24 24 ILE H H 1 0.763 0.073 . . . . . . . . . . 15252 1 18 . 1 1 25 25 ALA N N 15 . 1 1 25 25 ALA H H 1 0.748 0.018 . . . . . . . . . . 15252 1 19 . 1 1 26 26 SER N N 15 . 1 1 26 26 SER H H 1 0.792 0.094 . . . . . . . . . . 15252 1 20 . 1 1 27 27 CYS N N 15 . 1 1 27 27 CYS H H 1 0.816 0.120 . . . . . . . . . . 15252 1 21 . 1 1 28 28 GLN N N 15 . 1 1 28 28 GLN H H 1 0.817 0.127 . . . . . . . . . . 15252 1 22 . 1 1 29 29 THR N N 15 . 1 1 29 29 THR H H 1 0.807 0.039 . . . . . . . . . . 15252 1 23 . 1 1 30 30 LEU N N 15 . 1 1 30 30 LEU H H 1 0.817 0.024 . . . . . . . . . . 15252 1 24 . 1 1 31 31 GLU N N 15 . 1 1 31 31 GLU H H 1 0.744 0.036 . . . . . . . . . . 15252 1 25 . 1 1 32 32 GLY N N 15 . 1 1 32 32 GLY H H 1 0.896 0.112 . . . . . . . . . . 15252 1 26 . 1 1 33 33 LEU N N 15 . 1 1 33 33 LEU H H 1 0.826 0.016 . . . . . . . . . . 15252 1 27 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.772 0.046 . . . . . . . . . . 15252 1 28 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 0.684 0.016 . . . . . . . . . . 15252 1 29 . 1 1 36 36 LEU N N 15 . 1 1 36 36 LEU H H 1 0.747 0.030 . . . . . . . . . . 15252 1 30 . 1 1 37 37 GLU N N 15 . 1 1 37 37 GLU H H 1 0.736 0.040 . . . . . . . . . . 15252 1 31 . 1 1 38 38 ALA N N 15 . 1 1 38 38 ALA H H 1 0.568 0.022 . . . . . . . . . . 15252 1 32 . 1 1 39 39 TYR N N 15 . 1 1 39 39 TYR H H 1 0.776 0.017 . . . . . . . . . . 15252 1 33 . 1 1 40 40 TYR N N 15 . 1 1 40 40 TYR H H 1 0.769 0.031 . . . . . . . . . . 15252 1 34 . 1 1 41 41 LYS N N 15 . 1 1 41 41 LYS H H 1 0.820 0.025 . . . . . . . . . . 15252 1 35 . 1 1 42 42 LYS N N 15 . 1 1 42 42 LYS H H 1 0.737 0.028 . . . . . . . . . . 15252 1 36 . 1 1 43 43 ARG N N 15 . 1 1 43 43 ARG H H 1 0.772 0.046 . . . . . . . . . . 15252 1 37 . 1 1 44 44 VAL N N 15 . 1 1 44 44 VAL H H 1 0.684 0.016 . . . . . . . . . . 15252 1 38 . 1 1 45 45 LYS N N 15 . 1 1 45 45 LYS H H 1 0.579 0.210 . . . . . . . . . . 15252 1 39 . 1 1 46 46 GLU N N 15 . 1 1 46 46 GLU H H 1 0.754 0.039 . . . . . . . . . . 15252 1 40 . 1 1 47 47 THR N N 15 . 1 1 47 47 THR H H 1 0.786 0.104 . . . . . . . . . . 15252 1 41 . 1 1 48 48 GLU N N 15 . 1 1 48 48 GLU H H 1 0.142 0.017 . . . . . . . . . . 15252 1 42 . 1 1 49 49 LEU N N 15 . 1 1 49 49 LEU H H 1 0.641 0.008 . . . . . . . . . . 15252 1 43 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.699 0.123 . . . . . . . . . . 15252 1 44 . 1 1 51 51 ASP N N 15 . 1 1 51 51 ASP H H 1 0.739 0.047 . . . . . . . . . . 15252 1 45 . 1 1 52 52 THR N N 15 . 1 1 52 52 THR H H 1 0.751 0.015 . . . . . . . . . . 15252 1 46 . 1 1 53 53 ASP N N 15 . 1 1 53 53 ASP H H 1 0.701 0.032 . . . . . . . . . . 15252 1 47 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.728 0.005 . . . . . . . . . . 15252 1 48 . 1 1 55 55 ILE N N 15 . 1 1 55 55 ILE H H 1 0.756 0.022 . . . . . . . . . . 15252 1 49 . 1 1 56 56 SER N N 15 . 1 1 56 56 SER H H 1 0.837 0.022 . . . . . . . . . . 15252 1 50 . 1 1 57 57 VAL N N 15 . 1 1 57 57 VAL H H 1 0.771 0.010 . . . . . . . . . . 15252 1 51 . 1 1 58 58 ARG N N 15 . 1 1 58 58 ARG H H 1 0.725 0.041 . . . . . . . . . . 15252 1 52 . 1 1 59 59 ASP N N 15 . 1 1 59 59 ASP H H 1 0.788 0.031 . . . . . . . . . . 15252 1 53 . 1 1 60 60 ALA N N 15 . 1 1 60 60 ALA H H 1 0.784 0.009 . . . . . . . . . . 15252 1 54 . 1 1 61 61 LEU N N 15 . 1 1 61 61 LEU H H 1 0.807 0.010 . . . . . . . . . . 15252 1 55 . 1 1 62 62 ALA N N 15 . 1 1 62 62 ALA H H 1 0.681 0.042 . . . . . . . . . . 15252 1 56 . 1 1 63 63 GLY N N 15 . 1 1 63 63 GLY H H 1 0.801 0.051 . . . . . . . . . . 15252 1 57 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.788 0.027 . . . . . . . . . . 15252 1 58 . 1 1 65 65 ARG N N 15 . 1 1 65 65 ARG H H 1 0.709 0.036 . . . . . . . . . . 15252 1 59 . 1 1 66 66 ALA N N 15 . 1 1 66 66 ALA H H 1 0.726 0.011 . . . . . . . . . . 15252 1 60 . 1 1 67 67 GLU N N 15 . 1 1 67 67 GLU H H 1 0.748 0.081 . . . . . . . . . . 15252 1 61 . 1 1 68 68 LEU N N 15 . 1 1 68 68 LEU H H 1 0.710 0.038 . . . . . . . . . . 15252 1 62 . 1 1 69 69 GLU N N 15 . 1 1 69 69 GLU H H 1 0.667 0.017 . . . . . . . . . . 15252 1 63 . 1 1 70 70 ASP N N 15 . 1 1 70 70 ASP H H 1 0.555 0.003 . . . . . . . . . . 15252 1 64 . 1 1 71 71 SER N N 15 . 1 1 71 71 SER H H 1 0.113 0.032 . . . . . . . . . . 15252 1 65 . 1 1 72 72 ASP N N 15 . 1 1 72 72 ASP H H 1 -0.089 0.018 . . . . . . . . . . 15252 1 66 . 1 1 73 73 ASP N N 15 . 1 1 73 73 ASP H H 1 -0.091 0.011 . . . . . . . . . . 15252 1 67 . 1 1 74 74 GLU N N 15 . 1 1 74 74 GLU H H 1 -0.520 0.033 . . . . . . . . . . 15252 1 68 . 1 1 75 75 VAL N N 15 . 1 1 75 75 VAL H H 1 -0.358 0.009 . . . . . . . . . . 15252 1 69 . 1 1 76 76 GLU N N 15 . 1 1 76 76 GLU H H 1 -0.632 0.024 . . . . . . . . . . 15252 1 70 . 1 1 77 77 GLU N N 15 . 1 1 77 77 GLU H H 1 -1.120 0.014 . . . . . . . . . . 15252 1 71 . 1 1 78 78 SER N N 15 . 1 1 78 78 SER H H 1 -5.156 0.322 . . . . . . . . . . 15252 1 72 . 1 1 79 79 PHE N N 15 . 1 1 79 79 PHE H H 1 -2.538 0.039 . . . . . . . . . . 15252 1 stop_ save_