data_15085 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15085 _Entry.Title ; Complete Assignment of a hypothetical portein RP4601 (NESG ID: RpT2)from Rhodopseudomonas palustris. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-12-22 _Entry.Accession_date 2006-12-22 _Entry.Last_release_date 2007-02-09 _Entry.Original_release_date 2007-02-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Northeast Structural Genomics Consortium (NESG) target RpT2; Ontario Centre for Structural Proteomics Target RP4601' _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 Alexander Lemak . . . 15085 2 Sampath Srisailam . . . 15085 3 Adelinda Yee . . . 15085 4 Murthy Karra . D. . 15085 5 Jonathan Lukin . A. . 15085 6 Cheryl Arrowsmith . H. . 15085 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 15085 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15085 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 267 15085 '15N chemical shifts' 62 15085 '1H chemical shifts' 460 15085 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-02-09 2006-12-22 original author . 15085 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JN4 'BMRB Entry Tracking System' 15085 stop_ save_ ############### # Citations # ############### save_Rp4601_citation _Citation.Sf_category citations _Citation.Sf_framecode Rp4601_citation _Citation.Entry_ID 15085 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Assignment of a hypothetical protein RP4601 from Rhodopseudomonas palustris' _Citation.Status published _Citation.Type 'BMRB only' _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Alexander Lemak . . . 15085 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15085 _Assembly.ID 1 _Assembly.Name RP4601_assembly _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 . _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 RP4601_aasem 1 $RP4601 A . yes native no no . . . 15085 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RP4601 _Entity.Sf_category entity _Entity.Sf_framecode RP4601 _Entity.Entry_ID 15085 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RP4601 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKVMIRKTATGHSAYVAKKD LEELIVEMENPALWGGKVTL ANGWQLELPAMAADTPLPIT VEARKL ; _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 66 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7260.643 _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 2JN4 . "Solution Nmr Structure Of Protein Rp4601 From Rhodopseudomonas Palustris. Northeast Structural Genomics Consortium Target Rpt2;" . . . . . 100.00 87 100.00 100.00 7.75e-39 . . . . 15085 1 2 no EMBL CAE30063 . "conserved hypothetical protein [Rhodopseudomonas palustris CGA009]" . . . . . 100.00 66 100.00 100.00 2.18e-38 . . . . 15085 1 3 no GB ACF03593 . "nitrogen fixation protein FixT [Rhodopseudomonas palustris TIE-1]" . . . . . 100.00 66 100.00 100.00 2.18e-38 . . . . 15085 1 4 no REF WP_011160155 . "protein fixU [Rhodopseudomonas palustris]" . . . . . 100.00 66 100.00 100.00 2.18e-38 . . . . 15085 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15085 1 2 . LYS . 15085 1 3 . VAL . 15085 1 4 . MET . 15085 1 5 . ILE . 15085 1 6 . ARG . 15085 1 7 . LYS . 15085 1 8 . THR . 15085 1 9 . ALA . 15085 1 10 . THR . 15085 1 11 . GLY . 15085 1 12 . HIS . 15085 1 13 . SER . 15085 1 14 . ALA . 15085 1 15 . TYR . 15085 1 16 . VAL . 15085 1 17 . ALA . 15085 1 18 . LYS . 15085 1 19 . LYS . 15085 1 20 . ASP . 15085 1 21 . LEU . 15085 1 22 . GLU . 15085 1 23 . GLU . 15085 1 24 . LEU . 15085 1 25 . ILE . 15085 1 26 . VAL . 15085 1 27 . GLU . 15085 1 28 . MET . 15085 1 29 . GLU . 15085 1 30 . ASN . 15085 1 31 . PRO . 15085 1 32 . ALA . 15085 1 33 . LEU . 15085 1 34 . TRP . 15085 1 35 . GLY . 15085 1 36 . GLY . 15085 1 37 . LYS . 15085 1 38 . VAL . 15085 1 39 . THR . 15085 1 40 . LEU . 15085 1 41 . ALA . 15085 1 42 . ASN . 15085 1 43 . GLY . 15085 1 44 . TRP . 15085 1 45 . GLN . 15085 1 46 . LEU . 15085 1 47 . GLU . 15085 1 48 . LEU . 15085 1 49 . PRO . 15085 1 50 . ALA . 15085 1 51 . MET . 15085 1 52 . ALA . 15085 1 53 . ALA . 15085 1 54 . ASP . 15085 1 55 . THR . 15085 1 56 . PRO . 15085 1 57 . LEU . 15085 1 58 . PRO . 15085 1 59 . ILE . 15085 1 60 . THR . 15085 1 61 . VAL . 15085 1 62 . GLU . 15085 1 63 . ALA . 15085 1 64 . ARG . 15085 1 65 . LYS . 15085 1 66 . LEU . 15085 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15085 1 . LYS 2 2 15085 1 . VAL 3 3 15085 1 . MET 4 4 15085 1 . ILE 5 5 15085 1 . ARG 6 6 15085 1 . LYS 7 7 15085 1 . THR 8 8 15085 1 . ALA 9 9 15085 1 . THR 10 10 15085 1 . GLY 11 11 15085 1 . HIS 12 12 15085 1 . SER 13 13 15085 1 . ALA 14 14 15085 1 . TYR 15 15 15085 1 . VAL 16 16 15085 1 . ALA 17 17 15085 1 . LYS 18 18 15085 1 . LYS 19 19 15085 1 . ASP 20 20 15085 1 . LEU 21 21 15085 1 . GLU 22 22 15085 1 . GLU 23 23 15085 1 . LEU 24 24 15085 1 . ILE 25 25 15085 1 . VAL 26 26 15085 1 . GLU 27 27 15085 1 . MET 28 28 15085 1 . GLU 29 29 15085 1 . ASN 30 30 15085 1 . PRO 31 31 15085 1 . ALA 32 32 15085 1 . LEU 33 33 15085 1 . TRP 34 34 15085 1 . GLY 35 35 15085 1 . GLY 36 36 15085 1 . LYS 37 37 15085 1 . VAL 38 38 15085 1 . THR 39 39 15085 1 . LEU 40 40 15085 1 . ALA 41 41 15085 1 . ASN 42 42 15085 1 . GLY 43 43 15085 1 . TRP 44 44 15085 1 . GLN 45 45 15085 1 . LEU 46 46 15085 1 . GLU 47 47 15085 1 . LEU 48 48 15085 1 . PRO 49 49 15085 1 . ALA 50 50 15085 1 . MET 51 51 15085 1 . ALA 52 52 15085 1 . ALA 53 53 15085 1 . ASP 54 54 15085 1 . THR 55 55 15085 1 . PRO 56 56 15085 1 . LEU 57 57 15085 1 . PRO 58 58 15085 1 . ILE 59 59 15085 1 . THR 60 60 15085 1 . VAL 61 61 15085 1 . GLU 62 62 15085 1 . ALA 63 63 15085 1 . ARG 64 64 15085 1 . LYS 65 65 15085 1 . LEU 66 66 15085 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 15085 _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 $RP4601 . 562 plasmid . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli 'Bl21 DE3 Gold Magic' . . . . . . . . . . . . . . . . . . . . 15085 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 15085 _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 $RP4601 . 'recombinant technology' 'Escherichia coli' . . . . . . . . . . . . . . . . . . . . . 'BL21 DE3 Gold Magic' . . . . . . 15085 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_RP4601_sample1 _Sample.Sf_category sample _Sample.Sf_framecode RP4601_sample1 _Sample.Entry_ID 15085 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RP4601 '[U-100% 13C; U-100% 15N]' . . 1 $RP4601 . . . 0.7 1.2 mM . . . . 15085 1 2 NaN3 . . . . . . . 0.01 . . % . . . . 15085 1 3 Zn . . . . . . . 10 . . uM . . . . 15085 1 4 DTT . . . . . . . 10 . . mM . . . . 15085 1 5 H2O . . . . . . . 90 . . % . . . . 15085 1 6 D2O . . . . . . . 10 . . % . . . . 15085 1 7 Benzamidine . . . . . . . 1 . . mM . . . . 15085 1 stop_ save_ save_RP4601_sample2 _Sample.Sf_category sample _Sample.Sf_framecode RP4601_sample2 _Sample.Entry_ID 15085 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RP4601 '[U-100% 13C; U-100% 15N]' . . 1 $RP4601 . . . 0.6 1.1 mM . . . . 15085 2 2 D2O . . . . . . . 100 . . % . . . . 15085 2 3 NaN3 . . . . . . . 0.01 . . % . . . . 15085 2 4 Zn . . . . . . . 10 . . uM . . . . 15085 2 5 DTT . . . . . . . 10 . . mM . . . . 15085 2 6 Benzamidine . . . . . . . 1 . . mM . . . . 15085 2 stop_ save_ ####################### # Sample conditions # ####################### save_rp4601_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode rp4601_conditions_1 _Sample_condition_list.Entry_ID 15085 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'Sample contains 0.01% NaN3; 10uM Zn; 10mM DTT; 1mM Benzamidine' 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' 500 . mM 15085 1 pH 5.0 . pH 15085 1 pressure 1 . atm 15085 1 temperature 298 . K 15085 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15085 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15085 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15085 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15085 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15085 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15085 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15085 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.106 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15085 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15085 3 'data analysis' 15085 3 'peak picking' 15085 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15085 _Software.ID 4 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15085 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15085 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15085 _Software.ID 5 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15085 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15085 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15085 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15085 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15085 _NMR_spectrometer.ID 3 _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 15085 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 15085 1 2 spectrometer_2 Bruker Avance . 600 . . . 15085 1 3 spectrometer_3 Bruker Avance . 800 . . . 15085 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 15085 _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 $RP4601_sample1 isotropic . . 1 $rp4601_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15085 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $RP4601_sample1 isotropic . . 1 $rp4601_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15085 1 3 '3D HNCA' no . . . . . . . . . . 1 $RP4601_sample1 isotropic . . 1 $rp4601_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15085 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $RP4601_sample1 isotropic . . 1 $rp4601_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15085 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $RP4601_sample1 isotropic . . 1 $rp4601_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15085 1 6 'HBHACBCAcoNH 4D projection Reconstruction' no . . . . . . . . . . 1 $RP4601_sample1 isotropic . . 1 $rp4601_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15085 1 7 'HCCCcoNH Tocsy 4D Projection Reconstruction' no . . . . . . . . . . 1 $RP4601_sample1 isotropic . . 1 $rp4601_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15085 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $RP4601_sample1 isotropic . . 1 $rp4601_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15085 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $RP4601_sample1 isotropic . . 1 $rp4601_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15085 1 10 '3D HN(COCA)CB' no . . . . . . . . . . 1 $RP4601_sample1 isotropic . . 1 $rp4601_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15085 1 11 '3D HCCH-TOCSY (H-Tocsy)' no . . . . . . . . . . 2 $RP4601_sample2 isotropic . . 1 $rp4601_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15085 1 12 'HCCH-TOCSY (C-Tocsy)' no . . . . . . . . . . 2 $RP4601_sample2 isotropic . . 1 $rp4601_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15085 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $RP4601_sample2 isotropic . . 1 $rp4601_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15085 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 15085 _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 0.0 na indirect 0.251449530 . . . 1 $Rp4601_citation . . 1 $Rp4601_citation 15085 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.0 . . . 1 $Rp4601_citation . . 1 $Rp4601_citation 15085 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . 1 $Rp4601_citation . . 1 $Rp4601_citation 15085 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 15085 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $rp4601_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' . . . 15085 1 2 '2D 1H-13C HSQC' . . . 15085 1 3 '3D HNCA' . . . 15085 1 4 '3D CBCA(CO)NH' . . . 15085 1 6 'HBHACBCAcoNH 4D projection Reconstruction' . . . 15085 1 7 'HCCCcoNH Tocsy 4D Projection Reconstruction' . . . 15085 1 8 '3D 1H-15N NOESY' . . . 15085 1 9 '3D 1H-13C NOESY' . . . 15085 1 10 '3D HN(COCA)CB' . . . 15085 1 11 '3D HCCH-TOCSY (H-Tocsy)' . . . 15085 1 12 'HCCH-TOCSY (C-Tocsy)' . . . 15085 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 3 $SPARKY . . 15085 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.731 0.020 . 1 . . . . 1 MET H . 15085 1 2 . 1 1 1 1 MET HA H 1 4.712 0.020 . 1 . . . . 1 MET HA . 15085 1 3 . 1 1 1 1 MET HB2 H 1 1.886 0.020 . 2 . . . . 1 MET HB2 . 15085 1 4 . 1 1 1 1 MET HB3 H 1 2.021 0.020 . 2 . . . . 1 MET HB3 . 15085 1 5 . 1 1 1 1 MET HG2 H 1 2.370 0.020 . 1 . . . . 1 MET HG2 . 15085 1 6 . 1 1 1 1 MET HG3 H 1 2.370 0.020 . 1 . . . . 1 MET HG3 . 15085 1 7 . 1 1 1 1 MET C C 13 174.330 0.400 . 1 . . . . 1 MET C . 15085 1 8 . 1 1 1 1 MET CA C 13 54.910 0.400 . 1 . . . . 1 MET CA . 15085 1 9 . 1 1 1 1 MET CB C 13 35.732 0.400 . 1 . . . . 1 MET CB . 15085 1 10 . 1 1 1 1 MET CG C 13 31.360 0.400 . 1 . . . . 1 MET CG . 15085 1 11 . 1 1 1 1 MET N N 15 120.783 0.400 . 1 . . . . 1 MET N . 15085 1 12 . 1 1 2 2 LYS H H 1 8.629 0.020 . 1 . . . . 2 LYS H . 15085 1 13 . 1 1 2 2 LYS HA H 1 4.930 0.020 . 1 . . . . 2 LYS HA . 15085 1 14 . 1 1 2 2 LYS HB2 H 1 1.894 0.020 . 2 . . . . 2 LYS HB2 . 15085 1 15 . 1 1 2 2 LYS HB3 H 1 1.586 0.020 . 2 . . . . 2 LYS HB3 . 15085 1 16 . 1 1 2 2 LYS HG2 H 1 1.536 0.020 . 2 . . . . 2 LYS HG2 . 15085 1 17 . 1 1 2 2 LYS HG3 H 1 1.346 0.020 . 2 . . . . 2 LYS HG3 . 15085 1 18 . 1 1 2 2 LYS HD2 H 1 1.653 0.020 . 2 . . . . 2 LYS HD2 . 15085 1 19 . 1 1 2 2 LYS HD3 H 1 1.619 0.020 . 2 . . . . 2 LYS HD3 . 15085 1 20 . 1 1 2 2 LYS HE2 H 1 2.974 0.020 . 1 . . . . 2 LYS HE2 . 15085 1 21 . 1 1 2 2 LYS HE3 H 1 2.974 0.020 . 1 . . . . 2 LYS HE3 . 15085 1 22 . 1 1 2 2 LYS C C 13 176.553 0.400 . 1 . . . . 2 LYS C . 15085 1 23 . 1 1 2 2 LYS CA C 13 55.900 0.400 . 1 . . . . 2 LYS CA . 15085 1 24 . 1 1 2 2 LYS CB C 13 32.530 0.400 . 1 . . . . 2 LYS CB . 15085 1 25 . 1 1 2 2 LYS CG C 13 25.250 0.400 . 1 . . . . 2 LYS CG . 15085 1 26 . 1 1 2 2 LYS CD C 13 29.080 0.400 . 1 . . . . 2 LYS CD . 15085 1 27 . 1 1 2 2 LYS CE C 13 42.000 0.400 . 1 . . . . 2 LYS CE . 15085 1 28 . 1 1 2 2 LYS N N 15 124.831 0.400 . 1 . . . . 2 LYS N . 15085 1 29 . 1 1 3 3 VAL H H 1 9.365 0.020 . 1 . . . . 3 VAL H . 15085 1 30 . 1 1 3 3 VAL HA H 1 4.923 0.020 . 1 . . . . 3 VAL HA . 15085 1 31 . 1 1 3 3 VAL HB H 1 1.869 0.020 . 1 . . . . 3 VAL HB . 15085 1 32 . 1 1 3 3 VAL HG11 H 1 0.880 0.400 . 2 . . . . 3 VAL HG1 . 15085 1 33 . 1 1 3 3 VAL HG12 H 1 0.880 0.400 . 2 . . . . 3 VAL HG1 . 15085 1 34 . 1 1 3 3 VAL HG13 H 1 0.880 0.400 . 2 . . . . 3 VAL HG1 . 15085 1 35 . 1 1 3 3 VAL HG21 H 1 0.900 0.400 . 2 . . . . 3 VAL HG2 . 15085 1 36 . 1 1 3 3 VAL HG22 H 1 0.900 0.400 . 2 . . . . 3 VAL HG2 . 15085 1 37 . 1 1 3 3 VAL HG23 H 1 0.900 0.400 . 2 . . . . 3 VAL HG2 . 15085 1 38 . 1 1 3 3 VAL C C 13 172.730 0.400 . 1 . . . . 3 VAL C . 15085 1 39 . 1 1 3 3 VAL CA C 13 59.740 0.400 . 1 . . . . 3 VAL CA . 15085 1 40 . 1 1 3 3 VAL CB C 13 35.760 0.400 . 1 . . . . 3 VAL CB . 15085 1 41 . 1 1 3 3 VAL CG1 C 13 21.700 0.400 . 1 . . . . 3 VAL CG1 . 15085 1 42 . 1 1 3 3 VAL CG2 C 13 22.000 0.400 . 1 . . . . 3 VAL CG2 . 15085 1 43 . 1 1 3 3 VAL N N 15 123.483 0.400 . 1 . . . . 3 VAL N . 15085 1 44 . 1 1 4 4 MET H H 1 9.470 0.020 . 1 . . . . 4 MET H . 15085 1 45 . 1 1 4 4 MET HA H 1 5.588 0.020 . 1 . . . . 4 MET HA . 15085 1 46 . 1 1 4 4 MET HB2 H 1 2.338 0.020 . 2 . . . . 4 MET HB2 . 15085 1 47 . 1 1 4 4 MET HB3 H 1 2.201 0.020 . 2 . . . . 4 MET HB3 . 15085 1 48 . 1 1 4 4 MET HG2 H 1 2.497 0.020 . 2 . . . . 4 MET HG2 . 15085 1 49 . 1 1 4 4 MET HG3 H 1 2.218 0.020 . 2 . . . . 4 MET HG3 . 15085 1 50 . 1 1 4 4 MET C C 13 175.522 0.400 . 1 . . . . 4 MET C . 15085 1 51 . 1 1 4 4 MET CA C 13 54.000 0.400 . 1 . . . . 4 MET CA . 15085 1 52 . 1 1 4 4 MET CB C 13 36.100 0.400 . 1 . . . . 4 MET CB . 15085 1 53 . 1 1 4 4 MET CG C 13 31.500 0.400 . 1 . . . . 4 MET CG . 15085 1 54 . 1 1 4 4 MET N N 15 127.422 0.400 . 1 . . . . 4 MET N . 15085 1 55 . 1 1 5 5 ILE H H 1 9.252 0.020 . 1 . . . . 5 ILE H . 15085 1 56 . 1 1 5 5 ILE HA H 1 5.158 0.020 . 1 . . . . 5 ILE HA . 15085 1 57 . 1 1 5 5 ILE HB H 1 2.248 0.020 . 1 . . . . 5 ILE HB . 15085 1 58 . 1 1 5 5 ILE HG12 H 1 1.696 0.020 . 2 . . . . 5 ILE HG12 . 15085 1 59 . 1 1 5 5 ILE HG13 H 1 1.468 0.020 . 2 . . . . 5 ILE HG13 . 15085 1 60 . 1 1 5 5 ILE HG21 H 1 0.826 0.400 . 1 . . . . 5 ILE HG2 . 15085 1 61 . 1 1 5 5 ILE HG22 H 1 0.826 0.400 . 1 . . . . 5 ILE HG2 . 15085 1 62 . 1 1 5 5 ILE HG23 H 1 0.826 0.400 . 1 . . . . 5 ILE HG2 . 15085 1 63 . 1 1 5 5 ILE HD11 H 1 0.699 0.400 . 1 . . . . 5 ILE HD1 . 15085 1 64 . 1 1 5 5 ILE HD12 H 1 0.699 0.400 . 1 . . . . 5 ILE HD1 . 15085 1 65 . 1 1 5 5 ILE HD13 H 1 0.699 0.400 . 1 . . . . 5 ILE HD1 . 15085 1 66 . 1 1 5 5 ILE C C 13 174.694 0.400 . 1 . . . . 5 ILE C . 15085 1 67 . 1 1 5 5 ILE CA C 13 58.280 0.400 . 1 . . . . 5 ILE CA . 15085 1 68 . 1 1 5 5 ILE CB C 13 36.820 0.400 . 1 . . . . 5 ILE CB . 15085 1 69 . 1 1 5 5 ILE CG1 C 13 26.820 0.400 . 1 . . . . 5 ILE CG1 . 15085 1 70 . 1 1 5 5 ILE CG2 C 13 17.300 0.400 . 1 . . . . 5 ILE CG2 . 15085 1 71 . 1 1 5 5 ILE CD1 C 13 10.490 0.400 . 1 . . . . 5 ILE CD1 . 15085 1 72 . 1 1 5 5 ILE N N 15 130.057 0.400 . 1 . . . . 5 ILE N . 15085 1 73 . 1 1 6 6 ARG H H 1 8.709 0.020 . 1 . . . . 6 ARG H . 15085 1 74 . 1 1 6 6 ARG HA H 1 4.864 0.020 . 1 . . . . 6 ARG HA . 15085 1 75 . 1 1 6 6 ARG HB2 H 1 1.819 0.020 . 2 . . . . 6 ARG HB2 . 15085 1 76 . 1 1 6 6 ARG HB3 H 1 1.694 0.020 . 2 . . . . 6 ARG HB3 . 15085 1 77 . 1 1 6 6 ARG HG2 H 1 1.535 0.020 . 2 . . . . 6 ARG HG2 . 15085 1 78 . 1 1 6 6 ARG HG3 H 1 1.440 0.020 . 2 . . . . 6 ARG HG3 . 15085 1 79 . 1 1 6 6 ARG HD2 H 1 2.995 0.020 . 1 . . . . 6 ARG HD2 . 15085 1 80 . 1 1 6 6 ARG HD3 H 1 2.995 0.020 . 1 . . . . 6 ARG HD3 . 15085 1 81 . 1 1 6 6 ARG C C 13 174.578 0.400 . 1 . . . . 6 ARG C . 15085 1 82 . 1 1 6 6 ARG CA C 13 54.130 0.400 . 1 . . . . 6 ARG CA . 15085 1 83 . 1 1 6 6 ARG CB C 13 34.142 0.400 . 1 . . . . 6 ARG CB . 15085 1 84 . 1 1 6 6 ARG CG C 13 27.498 0.400 . 1 . . . . 6 ARG CG . 15085 1 85 . 1 1 6 6 ARG CD C 13 43.930 0.400 . 1 . . . . 6 ARG CD . 15085 1 86 . 1 1 6 6 ARG N N 15 123.268 0.400 . 1 . . . . 6 ARG N . 15085 1 87 . 1 1 7 7 LYS H H 1 9.211 0.020 . 1 . . . . 7 LYS H . 15085 1 88 . 1 1 7 7 LYS HA H 1 4.537 0.020 . 1 . . . . 7 LYS HA . 15085 1 89 . 1 1 7 7 LYS HB2 H 1 1.862 0.020 . 2 . . . . 7 LYS HB2 . 15085 1 90 . 1 1 7 7 LYS HB3 H 1 1.522 0.020 . 2 . . . . 7 LYS HB3 . 15085 1 91 . 1 1 7 7 LYS HG2 H 1 1.329 0.020 . 2 . . . . 7 LYS HG2 . 15085 1 92 . 1 1 7 7 LYS HG3 H 1 1.193 0.020 . 2 . . . . 7 LYS HG3 . 15085 1 93 . 1 1 7 7 LYS HD2 H 1 1.447 0.020 . 1 . . . . 7 LYS HD2 . 15085 1 94 . 1 1 7 7 LYS HD3 H 1 1.447 0.020 . 1 . . . . 7 LYS HD3 . 15085 1 95 . 1 1 7 7 LYS HE2 H 1 2.886 0.020 . 1 . . . . 7 LYS HE2 . 15085 1 96 . 1 1 7 7 LYS HE3 H 1 2.886 0.020 . 1 . . . . 7 LYS HE3 . 15085 1 97 . 1 1 7 7 LYS C C 13 176.553 0.400 . 1 . . . . 7 LYS C . 15085 1 98 . 1 1 7 7 LYS CA C 13 55.480 0.400 . 1 . . . . 7 LYS CA . 15085 1 99 . 1 1 7 7 LYS CB C 13 34.090 0.400 . 1 . . . . 7 LYS CB . 15085 1 100 . 1 1 7 7 LYS CG C 13 24.320 0.400 . 1 . . . . 7 LYS CG . 15085 1 101 . 1 1 7 7 LYS CD C 13 28.800 0.400 . 1 . . . . 7 LYS CD . 15085 1 102 . 1 1 7 7 LYS CE C 13 41.980 0.400 . 1 . . . . 7 LYS CE . 15085 1 103 . 1 1 7 7 LYS N N 15 123.125 0.400 . 1 . . . . 7 LYS N . 15085 1 104 . 1 1 8 8 THR H H 1 8.279 0.020 . 1 . . . . 8 THR H . 15085 1 105 . 1 1 8 8 THR HA H 1 4.667 0.020 . 1 . . . . 8 THR HA . 15085 1 106 . 1 1 8 8 THR HB H 1 4.010 0.020 . 1 . . . . 8 THR HB . 15085 1 107 . 1 1 8 8 THR HG21 H 1 1.140 0.400 . 1 . . . . 8 THR HG2 . 15085 1 108 . 1 1 8 8 THR HG22 H 1 1.140 0.400 . 1 . . . . 8 THR HG2 . 15085 1 109 . 1 1 8 8 THR HG23 H 1 1.140 0.400 . 1 . . . . 8 THR HG2 . 15085 1 110 . 1 1 8 8 THR CA C 13 59.760 0.400 . 1 . . . . 8 THR CA . 15085 1 111 . 1 1 8 8 THR CB C 13 70.810 0.400 . 1 . . . . 8 THR CB . 15085 1 112 . 1 1 8 8 THR CG2 C 13 21.970 0.400 . 1 . . . . 8 THR CG2 . 15085 1 113 . 1 1 8 8 THR N N 15 119.217 0.400 . 1 . . . . 8 THR N . 15085 1 114 . 1 1 10 10 THR HA H 1 4.446 0.020 . 1 . . . . 10 THR HA . 15085 1 115 . 1 1 10 10 THR HB H 1 4.417 0.020 . 1 . . . . 10 THR HB . 15085 1 116 . 1 1 10 10 THR HG21 H 1 1.105 0.400 . 1 . . . . 10 THR HG2 . 15085 1 117 . 1 1 10 10 THR HG22 H 1 1.105 0.400 . 1 . . . . 10 THR HG2 . 15085 1 118 . 1 1 10 10 THR HG23 H 1 1.105 0.400 . 1 . . . . 10 THR HG2 . 15085 1 119 . 1 1 10 10 THR C C 13 174.398 0.400 . 1 . . . . 10 THR C . 15085 1 120 . 1 1 10 10 THR CA C 13 60.602 0.400 . 1 . . . . 10 THR CA . 15085 1 121 . 1 1 10 10 THR CB C 13 69.850 0.400 . 1 . . . . 10 THR CB . 15085 1 122 . 1 1 10 10 THR CG2 C 13 21.700 0.400 . 1 . . . . 10 THR CG2 . 15085 1 123 . 1 1 11 11 GLY H H 1 7.235 0.020 . 1 . . . . 11 GLY H . 15085 1 124 . 1 1 11 11 GLY HA2 H 1 4.109 0.020 . 2 . . . . 11 GLY HA2 . 15085 1 125 . 1 1 11 11 GLY HA3 H 1 3.859 0.020 . 2 . . . . 11 GLY HA3 . 15085 1 126 . 1 1 11 11 GLY C C 13 172.521 0.400 . 1 . . . . 11 GLY C . 15085 1 127 . 1 1 11 11 GLY CA C 13 46.300 0.400 . 1 . . . . 11 GLY CA . 15085 1 128 . 1 1 11 11 GLY N N 15 111.526 0.400 . 1 . . . . 11 GLY N . 15085 1 129 . 1 1 12 12 HIS H H 1 9.086 0.020 . 1 . . . . 12 HIS H . 15085 1 130 . 1 1 12 12 HIS HA H 1 5.436 0.020 . 1 . . . . 12 HIS HA . 15085 1 131 . 1 1 12 12 HIS HB2 H 1 2.990 0.020 . 2 . . . . 12 HIS HB2 . 15085 1 132 . 1 1 12 12 HIS HB3 H 1 2.580 0.020 . 2 . . . . 12 HIS HB3 . 15085 1 133 . 1 1 12 12 HIS HD2 H 1 6.451 0.020 . 1 . . . . 12 HIS HD2 . 15085 1 134 . 1 1 12 12 HIS C C 13 173.706 0.400 . 1 . . . . 12 HIS C . 15085 1 135 . 1 1 12 12 HIS CA C 13 57.100 0.400 . 1 . . . . 12 HIS CA . 15085 1 136 . 1 1 12 12 HIS CB C 13 35.000 0.400 . 1 . . . . 12 HIS CB . 15085 1 137 . 1 1 12 12 HIS N N 15 124.050 0.400 . 1 . . . . 12 HIS N . 15085 1 138 . 1 1 13 13 SER H H 1 9.356 0.020 . 1 . . . . 13 SER H . 15085 1 139 . 1 1 13 13 SER HA H 1 5.060 0.020 . 1 . . . . 13 SER HA . 15085 1 140 . 1 1 13 13 SER HB2 H 1 3.555 0.400 . 1 . . . . 13 SER HB2 . 15085 1 141 . 1 1 13 13 SER HB3 H 1 3.555 0.400 . 1 . . . . 13 SER HB3 . 15085 1 142 . 1 1 13 13 SER C C 13 171.185 0.400 . 1 . . . . 13 SER C . 15085 1 143 . 1 1 13 13 SER CA C 13 56.560 0.400 . 1 . . . . 13 SER CA . 15085 1 144 . 1 1 13 13 SER CB C 13 66.720 0.400 . 1 . . . . 13 SER CB . 15085 1 145 . 1 1 13 13 SER N N 15 116.372 0.400 . 1 . . . . 13 SER N . 15085 1 146 . 1 1 14 14 ALA H H 1 8.999 0.020 . 1 . . . . 14 ALA H . 15085 1 147 . 1 1 14 14 ALA HA H 1 5.371 0.020 . 1 . . . . 14 ALA HA . 15085 1 148 . 1 1 14 14 ALA HB1 H 1 1.121 0.400 . 1 . . . . 14 ALA HB . 15085 1 149 . 1 1 14 14 ALA HB2 H 1 1.121 0.400 . 1 . . . . 14 ALA HB . 15085 1 150 . 1 1 14 14 ALA HB3 H 1 1.121 0.400 . 1 . . . . 14 ALA HB . 15085 1 151 . 1 1 14 14 ALA C C 13 174.794 0.400 . 1 . . . . 14 ALA C . 15085 1 152 . 1 1 14 14 ALA CA C 13 49.860 0.400 . 1 . . . . 14 ALA CA . 15085 1 153 . 1 1 14 14 ALA CB C 13 21.940 0.400 . 1 . . . . 14 ALA CB . 15085 1 154 . 1 1 14 14 ALA N N 15 122.583 0.400 . 1 . . . . 14 ALA N . 15085 1 155 . 1 1 15 15 TYR H H 1 9.490 0.020 . 1 . . . . 15 TYR H . 15085 1 156 . 1 1 15 15 TYR HA H 1 5.694 0.020 . 1 . . . . 15 TYR HA . 15085 1 157 . 1 1 15 15 TYR HB2 H 1 2.980 0.020 . 1 . . . . 15 TYR HB2 . 15085 1 158 . 1 1 15 15 TYR HB3 H 1 2.980 0.020 . 1 . . . . 15 TYR HB3 . 15085 1 159 . 1 1 15 15 TYR HD1 H 1 7.051 0.020 . 1 . . . . 15 TYR HD1 . 15085 1 160 . 1 1 15 15 TYR HD2 H 1 7.051 0.020 . 1 . . . . 15 TYR HD2 . 15085 1 161 . 1 1 15 15 TYR C C 13 175.046 0.400 . 1 . . . . 15 TYR C . 15085 1 162 . 1 1 15 15 TYR CA C 13 55.080 0.400 . 1 . . . . 15 TYR CA . 15085 1 163 . 1 1 15 15 TYR CB C 13 40.640 0.400 . 1 . . . . 15 TYR CB . 15085 1 164 . 1 1 15 15 TYR N N 15 122.423 0.400 . 1 . . . . 15 TYR N . 15085 1 165 . 1 1 16 16 VAL H H 1 9.178 0.020 . 1 . . . . 16 VAL H . 15085 1 166 . 1 1 16 16 VAL HA H 1 4.204 0.020 . 1 . . . . 16 VAL HA . 15085 1 167 . 1 1 16 16 VAL HB H 1 2.151 0.020 . 1 . . . . 16 VAL HB . 15085 1 168 . 1 1 16 16 VAL HG11 H 1 0.952 0.400 . 2 . . . . 16 VAL HG1 . 15085 1 169 . 1 1 16 16 VAL HG12 H 1 0.952 0.400 . 2 . . . . 16 VAL HG1 . 15085 1 170 . 1 1 16 16 VAL HG13 H 1 0.952 0.400 . 2 . . . . 16 VAL HG1 . 15085 1 171 . 1 1 16 16 VAL HG21 H 1 1.087 0.400 . 2 . . . . 16 VAL HG2 . 15085 1 172 . 1 1 16 16 VAL HG22 H 1 1.087 0.400 . 2 . . . . 16 VAL HG2 . 15085 1 173 . 1 1 16 16 VAL HG23 H 1 1.087 0.400 . 2 . . . . 16 VAL HG2 . 15085 1 174 . 1 1 16 16 VAL C C 13 175.754 0.400 . 1 . . . . 16 VAL C . 15085 1 175 . 1 1 16 16 VAL CA C 13 60.660 0.400 . 1 . . . . 16 VAL CA . 15085 1 176 . 1 1 16 16 VAL CB C 13 31.800 0.400 . 1 . . . . 16 VAL CB . 15085 1 177 . 1 1 16 16 VAL CG1 C 13 19.790 0.400 . 1 . . . . 16 VAL CG1 . 15085 1 178 . 1 1 16 16 VAL CG2 C 13 22.400 0.400 . 1 . . . . 16 VAL CG2 . 15085 1 179 . 1 1 16 16 VAL N N 15 130.486 0.400 . 1 . . . . 16 VAL N . 15085 1 180 . 1 1 17 17 ALA H H 1 8.375 0.020 . 1 . . . . 17 ALA H . 15085 1 181 . 1 1 17 17 ALA HA H 1 3.633 0.020 . 1 . . . . 17 ALA HA . 15085 1 182 . 1 1 17 17 ALA HB1 H 1 1.445 0.400 . 1 . . . . 17 ALA HB . 15085 1 183 . 1 1 17 17 ALA HB2 H 1 1.445 0.400 . 1 . . . . 17 ALA HB . 15085 1 184 . 1 1 17 17 ALA HB3 H 1 1.445 0.400 . 1 . . . . 17 ALA HB . 15085 1 185 . 1 1 17 17 ALA CA C 13 56.026 0.400 . 1 . . . . 17 ALA CA . 15085 1 186 . 1 1 17 17 ALA CB C 13 18.305 0.400 . 1 . . . . 17 ALA CB . 15085 1 187 . 1 1 17 17 ALA N N 15 132.119 0.400 . 1 . . . . 17 ALA N . 15085 1 188 . 1 1 18 18 LYS HA H 1 4.115 0.020 . 1 . . . . 18 LYS HA . 15085 1 189 . 1 1 18 18 LYS HB2 H 1 1.962 0.020 . 2 . . . . 18 LYS HB2 . 15085 1 190 . 1 1 18 18 LYS HB3 H 1 1.810 0.020 . 2 . . . . 18 LYS HB3 . 15085 1 191 . 1 1 18 18 LYS HG2 H 1 1.545 0.020 . 2 . . . . 18 LYS HG2 . 15085 1 192 . 1 1 18 18 LYS HG3 H 1 1.270 0.020 . 2 . . . . 18 LYS HG3 . 15085 1 193 . 1 1 18 18 LYS HD2 H 1 1.961 0.020 . 2 . . . . 18 LYS HD2 . 15085 1 194 . 1 1 18 18 LYS HD3 H 1 1.773 0.020 . 2 . . . . 18 LYS HD3 . 15085 1 195 . 1 1 18 18 LYS HE2 H 1 3.033 0.020 . 1 . . . . 18 LYS HE2 . 15085 1 196 . 1 1 18 18 LYS HE3 H 1 3.033 0.020 . 1 . . . . 18 LYS HE3 . 15085 1 197 . 1 1 18 18 LYS C C 13 176.000 0.400 . 1 . . . . 18 LYS C . 15085 1 198 . 1 1 18 18 LYS CA C 13 58.656 0.400 . 1 . . . . 18 LYS CA . 15085 1 199 . 1 1 18 18 LYS CB C 13 32.550 0.400 . 1 . . . . 18 LYS CB . 15085 1 200 . 1 1 18 18 LYS CG C 13 25.351 0.400 . 1 . . . . 18 LYS CG . 15085 1 201 . 1 1 18 18 LYS CD C 13 29.100 0.400 . 1 . . . . 18 LYS CD . 15085 1 202 . 1 1 18 18 LYS CE C 13 41.990 0.400 . 1 . . . . 18 LYS CE . 15085 1 203 . 1 1 19 19 LYS H H 1 6.821 0.020 . 1 . . . . 19 LYS H . 15085 1 204 . 1 1 19 19 LYS HA H 1 4.551 0.020 . 1 . . . . 19 LYS HA . 15085 1 205 . 1 1 19 19 LYS HB2 H 1 2.180 0.020 . 2 . . . . 19 LYS HB2 . 15085 1 206 . 1 1 19 19 LYS HB3 H 1 1.420 0.020 . 2 . . . . 19 LYS HB3 . 15085 1 207 . 1 1 19 19 LYS HG2 H 1 1.530 0.020 . 2 . . . . 19 LYS HG2 . 15085 1 208 . 1 1 19 19 LYS HG3 H 1 1.440 0.020 . 2 . . . . 19 LYS HG3 . 15085 1 209 . 1 1 19 19 LYS HD2 H 1 1.828 0.020 . 2 . . . . 19 LYS HD2 . 15085 1 210 . 1 1 19 19 LYS HD3 H 1 1.764 0.020 . 2 . . . . 19 LYS HD3 . 15085 1 211 . 1 1 19 19 LYS HE2 H 1 3.033 0.020 . 2 . . . . 19 LYS HE2 . 15085 1 212 . 1 1 19 19 LYS HE3 H 1 2.976 0.020 . 2 . . . . 19 LYS HE3 . 15085 1 213 . 1 1 19 19 LYS C C 13 174.430 0.400 . 1 . . . . 19 LYS C . 15085 1 214 . 1 1 19 19 LYS CA C 13 53.982 0.400 . 1 . . . . 19 LYS CA . 15085 1 215 . 1 1 19 19 LYS CB C 13 33.900 0.400 . 1 . . . . 19 LYS CB . 15085 1 216 . 1 1 19 19 LYS CG C 13 25.120 0.400 . 1 . . . . 19 LYS CG . 15085 1 217 . 1 1 19 19 LYS CD C 13 28.300 0.400 . 1 . . . . 19 LYS CD . 15085 1 218 . 1 1 19 19 LYS CE C 13 42.000 0.400 . 1 . . . . 19 LYS CE . 15085 1 219 . 1 1 19 19 LYS N N 15 113.718 0.400 . 1 . . . . 19 LYS N . 15085 1 220 . 1 1 20 20 ASP H H 1 7.894 0.020 . 1 . . . . 20 ASP H . 15085 1 221 . 1 1 20 20 ASP HA H 1 4.140 0.020 . 1 . . . . 20 ASP HA . 15085 1 222 . 1 1 20 20 ASP HB2 H 1 3.109 0.020 . 2 . . . . 20 ASP HB2 . 15085 1 223 . 1 1 20 20 ASP HB3 H 1 2.463 0.020 . 2 . . . . 20 ASP HB3 . 15085 1 224 . 1 1 20 20 ASP C C 13 173.438 0.400 . 1 . . . . 20 ASP C . 15085 1 225 . 1 1 20 20 ASP CA C 13 55.101 0.400 . 1 . . . . 20 ASP CA . 15085 1 226 . 1 1 20 20 ASP CB C 13 39.910 0.400 . 1 . . . . 20 ASP CB . 15085 1 227 . 1 1 20 20 ASP N N 15 120.149 0.400 . 1 . . . . 20 ASP N . 15085 1 228 . 1 1 21 21 LEU H H 1 6.890 0.020 . 1 . . . . 21 LEU H . 15085 1 229 . 1 1 21 21 LEU HA H 1 4.646 0.020 . 1 . . . . 21 LEU HA . 15085 1 230 . 1 1 21 21 LEU HB2 H 1 1.403 0.020 . 2 . . . . 21 LEU HB2 . 15085 1 231 . 1 1 21 21 LEU HB3 H 1 1.270 0.020 . 2 . . . . 21 LEU HB3 . 15085 1 232 . 1 1 21 21 LEU HG H 1 1.270 0.020 . 1 . . . . 21 LEU HG . 15085 1 233 . 1 1 21 21 LEU HD11 H 1 0.419 0.400 . 2 . . . . 21 LEU HD1 . 15085 1 234 . 1 1 21 21 LEU HD12 H 1 0.419 0.400 . 2 . . . . 21 LEU HD1 . 15085 1 235 . 1 1 21 21 LEU HD13 H 1 0.419 0.400 . 2 . . . . 21 LEU HD1 . 15085 1 236 . 1 1 21 21 LEU HD21 H 1 0.560 0.400 . 2 . . . . 21 LEU HD2 . 15085 1 237 . 1 1 21 21 LEU HD22 H 1 0.560 0.400 . 2 . . . . 21 LEU HD2 . 15085 1 238 . 1 1 21 21 LEU HD23 H 1 0.560 0.400 . 2 . . . . 21 LEU HD2 . 15085 1 239 . 1 1 21 21 LEU C C 13 173.884 0.400 . 1 . . . . 21 LEU C . 15085 1 240 . 1 1 21 21 LEU CA C 13 53.800 0.400 . 1 . . . . 21 LEU CA . 15085 1 241 . 1 1 21 21 LEU CB C 13 46.485 0.400 . 1 . . . . 21 LEU CB . 15085 1 242 . 1 1 21 21 LEU CG C 13 26.700 0.400 . 1 . . . . 21 LEU CG . 15085 1 243 . 1 1 21 21 LEU CD1 C 13 25.390 0.400 . 1 . . . . 21 LEU CD1 . 15085 1 244 . 1 1 21 21 LEU CD2 C 13 24.700 0.400 . 1 . . . . 21 LEU CD2 . 15085 1 245 . 1 1 21 21 LEU N N 15 118.102 0.400 . 1 . . . . 21 LEU N . 15085 1 246 . 1 1 22 22 GLU H H 1 8.829 0.020 . 1 . . . . 22 GLU H . 15085 1 247 . 1 1 22 22 GLU HA H 1 5.490 0.020 . 1 . . . . 22 GLU HA . 15085 1 248 . 1 1 22 22 GLU HB2 H 1 2.033 0.020 . 2 . . . . 22 GLU HB2 . 15085 1 249 . 1 1 22 22 GLU HB3 H 1 1.948 0.020 . 2 . . . . 22 GLU HB3 . 15085 1 250 . 1 1 22 22 GLU HG2 H 1 2.004 0.020 . 1 . . . . 22 GLU HG2 . 15085 1 251 . 1 1 22 22 GLU HG3 H 1 2.004 0.020 . 1 . . . . 22 GLU HG3 . 15085 1 252 . 1 1 22 22 GLU C C 13 175.032 0.400 . 1 . . . . 22 GLU C . 15085 1 253 . 1 1 22 22 GLU CA C 13 55.000 0.400 . 1 . . . . 22 GLU CA . 15085 1 254 . 1 1 22 22 GLU CB C 13 32.530 0.400 . 1 . . . . 22 GLU CB . 15085 1 255 . 1 1 22 22 GLU CG C 13 36.720 0.400 . 1 . . . . 22 GLU CG . 15085 1 256 . 1 1 22 22 GLU N N 15 127.699 0.400 . 1 . . . . 22 GLU N . 15085 1 257 . 1 1 23 23 GLU H H 1 8.724 0.020 . 1 . . . . 23 GLU H . 15085 1 258 . 1 1 23 23 GLU HA H 1 4.827 0.020 . 1 . . . . 23 GLU HA . 15085 1 259 . 1 1 23 23 GLU HB2 H 1 2.154 0.020 . 2 . . . . 23 GLU HB2 . 15085 1 260 . 1 1 23 23 GLU HB3 H 1 1.453 0.020 . 2 . . . . 23 GLU HB3 . 15085 1 261 . 1 1 23 23 GLU HG2 H 1 1.900 0.020 . 2 . . . . 23 GLU HG2 . 15085 1 262 . 1 1 23 23 GLU HG3 H 1 1.790 0.020 . 2 . . . . 23 GLU HG3 . 15085 1 263 . 1 1 23 23 GLU C C 13 175.157 0.400 . 1 . . . . 23 GLU C . 15085 1 264 . 1 1 23 23 GLU CA C 13 53.350 0.400 . 1 . . . . 23 GLU CA . 15085 1 265 . 1 1 23 23 GLU CB C 13 34.100 0.400 . 1 . . . . 23 GLU CB . 15085 1 266 . 1 1 23 23 GLU CG C 13 36.050 0.400 . 1 . . . . 23 GLU CG . 15085 1 267 . 1 1 23 23 GLU N N 15 123.997 0.400 . 1 . . . . 23 GLU N . 15085 1 268 . 1 1 24 24 LEU H H 1 8.745 0.020 . 1 . . . . 24 LEU H . 15085 1 269 . 1 1 24 24 LEU HA H 1 4.200 0.020 . 1 . . . . 24 LEU HA . 15085 1 270 . 1 1 24 24 LEU HB2 H 1 1.464 0.020 . 2 . . . . 24 LEU HB2 . 15085 1 271 . 1 1 24 24 LEU HB3 H 1 1.530 0.020 . 2 . . . . 24 LEU HB3 . 15085 1 272 . 1 1 24 24 LEU HG H 1 1.685 0.020 . 1 . . . . 24 LEU HG . 15085 1 273 . 1 1 24 24 LEU HD11 H 1 0.860 0.400 . 2 . . . . 24 LEU HD1 . 15085 1 274 . 1 1 24 24 LEU HD12 H 1 0.860 0.400 . 2 . . . . 24 LEU HD1 . 15085 1 275 . 1 1 24 24 LEU HD13 H 1 0.860 0.400 . 2 . . . . 24 LEU HD1 . 15085 1 276 . 1 1 24 24 LEU HD21 H 1 0.807 0.400 . 2 . . . . 24 LEU HD2 . 15085 1 277 . 1 1 24 24 LEU HD22 H 1 0.807 0.400 . 2 . . . . 24 LEU HD2 . 15085 1 278 . 1 1 24 24 LEU HD23 H 1 0.807 0.400 . 2 . . . . 24 LEU HD2 . 15085 1 279 . 1 1 24 24 LEU C C 13 176.805 0.400 . 1 . . . . 24 LEU C . 15085 1 280 . 1 1 24 24 LEU CA C 13 55.480 0.400 . 1 . . . . 24 LEU CA . 15085 1 281 . 1 1 24 24 LEU CB C 13 42.700 0.400 . 1 . . . . 24 LEU CB . 15085 1 282 . 1 1 24 24 LEU CG C 13 27.040 0.400 . 1 . . . . 24 LEU CG . 15085 1 283 . 1 1 24 24 LEU CD1 C 13 24.550 0.400 . 1 . . . . 24 LEU CD1 . 15085 1 284 . 1 1 24 24 LEU CD2 C 13 23.730 0.400 . 1 . . . . 24 LEU CD2 . 15085 1 285 . 1 1 24 24 LEU N N 15 121.523 0.400 . 1 . . . . 24 LEU N . 15085 1 286 . 1 1 25 25 ILE H H 1 8.389 0.020 . 1 . . . . 25 ILE H . 15085 1 287 . 1 1 25 25 ILE HA H 1 4.214 0.020 . 1 . . . . 25 ILE HA . 15085 1 288 . 1 1 25 25 ILE HB H 1 1.709 0.020 . 1 . . . . 25 ILE HB . 15085 1 289 . 1 1 25 25 ILE HG12 H 1 1.586 0.020 . 2 . . . . 25 ILE HG12 . 15085 1 290 . 1 1 25 25 ILE HG13 H 1 0.754 0.020 . 2 . . . . 25 ILE HG13 . 15085 1 291 . 1 1 25 25 ILE HG21 H 1 0.814 0.400 . 1 . . . . 25 ILE HG2 . 15085 1 292 . 1 1 25 25 ILE HG22 H 1 0.814 0.400 . 1 . . . . 25 ILE HG2 . 15085 1 293 . 1 1 25 25 ILE HG23 H 1 0.814 0.400 . 1 . . . . 25 ILE HG2 . 15085 1 294 . 1 1 25 25 ILE HD11 H 1 0.672 0.400 . 1 . . . . 25 ILE HD1 . 15085 1 295 . 1 1 25 25 ILE HD12 H 1 0.672 0.400 . 1 . . . . 25 ILE HD1 . 15085 1 296 . 1 1 25 25 ILE HD13 H 1 0.672 0.400 . 1 . . . . 25 ILE HD1 . 15085 1 297 . 1 1 25 25 ILE C C 13 176.193 0.400 . 1 . . . . 25 ILE C . 15085 1 298 . 1 1 25 25 ILE CA C 13 62.647 0.400 . 1 . . . . 25 ILE CA . 15085 1 299 . 1 1 25 25 ILE CB C 13 37.650 0.400 . 1 . . . . 25 ILE CB . 15085 1 300 . 1 1 25 25 ILE CG1 C 13 29.050 0.400 . 1 . . . . 25 ILE CG1 . 15085 1 301 . 1 1 25 25 ILE CG2 C 13 18.100 0.400 . 1 . . . . 25 ILE CG2 . 15085 1 302 . 1 1 25 25 ILE CD1 C 13 14.010 0.400 . 1 . . . . 25 ILE CD1 . 15085 1 303 . 1 1 25 25 ILE N N 15 121.872 0.400 . 1 . . . . 25 ILE N . 15085 1 304 . 1 1 26 26 VAL H H 1 8.745 0.020 . 1 . . . . 26 VAL H . 15085 1 305 . 1 1 26 26 VAL HA H 1 4.608 0.020 . 1 . . . . 26 VAL HA . 15085 1 306 . 1 1 26 26 VAL HB H 1 2.290 0.020 . 1 . . . . 26 VAL HB . 15085 1 307 . 1 1 26 26 VAL HG11 H 1 0.874 0.400 . 2 . . . . 26 VAL HG1 . 15085 1 308 . 1 1 26 26 VAL HG12 H 1 0.874 0.400 . 2 . . . . 26 VAL HG1 . 15085 1 309 . 1 1 26 26 VAL HG13 H 1 0.874 0.400 . 2 . . . . 26 VAL HG1 . 15085 1 310 . 1 1 26 26 VAL HG21 H 1 0.659 0.400 . 2 . . . . 26 VAL HG2 . 15085 1 311 . 1 1 26 26 VAL HG22 H 1 0.659 0.400 . 2 . . . . 26 VAL HG2 . 15085 1 312 . 1 1 26 26 VAL HG23 H 1 0.659 0.400 . 2 . . . . 26 VAL HG2 . 15085 1 313 . 1 1 26 26 VAL C C 13 175.694 0.400 . 1 . . . . 26 VAL C . 15085 1 314 . 1 1 26 26 VAL CA C 13 61.660 0.400 . 1 . . . . 26 VAL CA . 15085 1 315 . 1 1 26 26 VAL CB C 13 32.530 0.400 . 1 . . . . 26 VAL CB . 15085 1 316 . 1 1 26 26 VAL CG1 C 13 21.880 0.400 . 1 . . . . 26 VAL CG1 . 15085 1 317 . 1 1 26 26 VAL CG2 C 13 18.500 0.400 . 1 . . . . 26 VAL CG2 . 15085 1 318 . 1 1 26 26 VAL N N 15 121.523 0.400 . 1 . . . . 26 VAL N . 15085 1 319 . 1 1 27 27 GLU H H 1 7.621 0.020 . 1 . . . . 27 GLU H . 15085 1 320 . 1 1 27 27 GLU HA H 1 4.558 0.020 . 1 . . . . 27 GLU HA . 15085 1 321 . 1 1 27 27 GLU HB2 H 1 1.904 0.020 . 1 . . . . 27 GLU HB2 . 15085 1 322 . 1 1 27 27 GLU HB3 H 1 1.904 0.020 . 1 . . . . 27 GLU HB3 . 15085 1 323 . 1 1 27 27 GLU HG2 H 1 2.190 0.020 . 1 . . . . 27 GLU HG2 . 15085 1 324 . 1 1 27 27 GLU HG3 H 1 2.190 0.020 . 1 . . . . 27 GLU HG3 . 15085 1 325 . 1 1 27 27 GLU C C 13 173.964 0.400 . 1 . . . . 27 GLU C . 15085 1 326 . 1 1 27 27 GLU CA C 13 56.260 0.400 . 1 . . . . 27 GLU CA . 15085 1 327 . 1 1 27 27 GLU CB C 13 33.860 0.400 . 1 . . . . 27 GLU CB . 15085 1 328 . 1 1 27 27 GLU CG C 13 36.560 0.400 . 1 . . . . 27 GLU CG . 15085 1 329 . 1 1 27 27 GLU N N 15 120.089 0.400 . 1 . . . . 27 GLU N . 15085 1 330 . 1 1 28 28 MET H H 1 8.757 0.020 . 1 . . . . 28 MET H . 15085 1 331 . 1 1 28 28 MET HA H 1 4.997 0.020 . 1 . . . . 28 MET HA . 15085 1 332 . 1 1 28 28 MET HB2 H 1 1.950 0.020 . 2 . . . . 28 MET HB2 . 15085 1 333 . 1 1 28 28 MET HB3 H 1 2.025 0.020 . 2 . . . . 28 MET HB3 . 15085 1 334 . 1 1 28 28 MET HG2 H 1 2.336 0.020 . 1 . . . . 28 MET HG2 . 15085 1 335 . 1 1 28 28 MET HG3 H 1 2.336 0.020 . 1 . . . . 28 MET HG3 . 15085 1 336 . 1 1 28 28 MET C C 13 174.281 0.400 . 1 . . . . 28 MET C . 15085 1 337 . 1 1 28 28 MET CA C 13 54.500 0.400 . 1 . . . . 28 MET CA . 15085 1 338 . 1 1 28 28 MET CB C 13 35.080 0.400 . 1 . . . . 28 MET CB . 15085 1 339 . 1 1 28 28 MET CG C 13 30.980 0.400 . 1 . . . . 28 MET CG . 15085 1 340 . 1 1 28 28 MET N N 15 120.128 0.400 . 1 . . . . 28 MET N . 15085 1 341 . 1 1 29 29 GLU H H 1 8.541 0.020 . 1 . . . . 29 GLU H . 15085 1 342 . 1 1 29 29 GLU HA H 1 3.983 0.020 . 1 . . . . 29 GLU HA . 15085 1 343 . 1 1 29 29 GLU HB2 H 1 2.076 0.020 . 2 . . . . 29 GLU HB2 . 15085 1 344 . 1 1 29 29 GLU HB3 H 1 2.044 0.020 . 2 . . . . 29 GLU HB3 . 15085 1 345 . 1 1 29 29 GLU HG2 H 1 2.360 0.020 . 2 . . . . 29 GLU HG2 . 15085 1 346 . 1 1 29 29 GLU HG3 H 1 2.200 0.020 . 2 . . . . 29 GLU HG3 . 15085 1 347 . 1 1 29 29 GLU C C 13 175.995 0.400 . 1 . . . . 29 GLU C . 15085 1 348 . 1 1 29 29 GLU CA C 13 58.620 0.400 . 1 . . . . 29 GLU CA . 15085 1 349 . 1 1 29 29 GLU CB C 13 31.600 0.400 . 1 . . . . 29 GLU CB . 15085 1 350 . 1 1 29 29 GLU CG C 13 36.150 0.400 . 1 . . . . 29 GLU CG . 15085 1 351 . 1 1 29 29 GLU N N 15 124.935 0.400 . 1 . . . . 29 GLU N . 15085 1 352 . 1 1 30 30 ASN H H 1 8.730 0.020 . 1 . . . . 30 ASN H . 15085 1 353 . 1 1 30 30 ASN HA H 1 5.212 0.020 . 1 . . . . 30 ASN HA . 15085 1 354 . 1 1 30 30 ASN HB2 H 1 2.754 0.020 . 2 . . . . 30 ASN HB2 . 15085 1 355 . 1 1 30 30 ASN HB3 H 1 2.350 0.020 . 2 . . . . 30 ASN HB3 . 15085 1 356 . 1 1 30 30 ASN HD21 H 1 7.475 0.020 . 2 . . . . 30 ASN HD21 . 15085 1 357 . 1 1 30 30 ASN HD22 H 1 6.702 0.020 . 2 . . . . 30 ASN HD22 . 15085 1 358 . 1 1 30 30 ASN CA C 13 49.248 0.400 . 1 . . . . 30 ASN CA . 15085 1 359 . 1 1 30 30 ASN CB C 13 39.850 0.400 . 1 . . . . 30 ASN CB . 15085 1 360 . 1 1 30 30 ASN N N 15 117.652 0.400 . 1 . . . . 30 ASN N . 15085 1 361 . 1 1 30 30 ASN ND2 N 15 112.165 0.400 . 1 . . . . 30 ASN ND2 . 15085 1 362 . 1 1 31 31 PRO HA H 1 4.258 0.020 . 1 . . . . 31 PRO HA . 15085 1 363 . 1 1 31 31 PRO HB2 H 1 2.336 0.020 . 2 . . . . 31 PRO HB2 . 15085 1 364 . 1 1 31 31 PRO HB3 H 1 1.947 0.020 . 2 . . . . 31 PRO HB3 . 15085 1 365 . 1 1 31 31 PRO HG2 H 1 2.119 0.020 . 2 . . . . 31 PRO HG2 . 15085 1 366 . 1 1 31 31 PRO HG3 H 1 2.036 0.020 . 2 . . . . 31 PRO HG3 . 15085 1 367 . 1 1 31 31 PRO HD2 H 1 4.260 0.020 . 2 . . . . 31 PRO HD2 . 15085 1 368 . 1 1 31 31 PRO HD3 H 1 3.851 0.020 . 2 . . . . 31 PRO HD3 . 15085 1 369 . 1 1 31 31 PRO C C 13 176.544 0.400 . 1 . . . . 31 PRO C . 15085 1 370 . 1 1 31 31 PRO CA C 13 64.680 0.400 . 1 . . . . 31 PRO CA . 15085 1 371 . 1 1 31 31 PRO CB C 13 31.930 0.400 . 1 . . . . 31 PRO CB . 15085 1 372 . 1 1 31 31 PRO CG C 13 27.380 0.400 . 1 . . . . 31 PRO CG . 15085 1 373 . 1 1 31 31 PRO CD C 13 51.040 0.400 . 1 . . . . 31 PRO CD . 15085 1 374 . 1 1 32 32 ALA H H 1 7.959 0.020 . 1 . . . . 32 ALA H . 15085 1 375 . 1 1 32 32 ALA HA H 1 4.373 0.020 . 1 . . . . 32 ALA HA . 15085 1 376 . 1 1 32 32 ALA HB1 H 1 1.450 0.400 . 1 . . . . 32 ALA HB . 15085 1 377 . 1 1 32 32 ALA HB2 H 1 1.450 0.400 . 1 . . . . 32 ALA HB . 15085 1 378 . 1 1 32 32 ALA HB3 H 1 1.450 0.400 . 1 . . . . 32 ALA HB . 15085 1 379 . 1 1 32 32 ALA C C 13 177.469 0.400 . 1 . . . . 32 ALA C . 15085 1 380 . 1 1 32 32 ALA CA C 13 51.410 0.400 . 1 . . . . 32 ALA CA . 15085 1 381 . 1 1 32 32 ALA CB C 13 18.380 0.400 . 1 . . . . 32 ALA CB . 15085 1 382 . 1 1 32 32 ALA N N 15 118.572 0.400 . 1 . . . . 32 ALA N . 15085 1 383 . 1 1 33 33 LEU H H 1 8.051 0.020 . 1 . . . . 33 LEU H . 15085 1 384 . 1 1 33 33 LEU HA H 1 3.456 0.020 . 1 . . . . 33 LEU HA . 15085 1 385 . 1 1 33 33 LEU HB2 H 1 0.901 0.020 . 2 . . . . 33 LEU HB2 . 15085 1 386 . 1 1 33 33 LEU HB3 H 1 1.269 0.020 . 2 . . . . 33 LEU HB3 . 15085 1 387 . 1 1 33 33 LEU HG H 1 0.481 0.020 . 1 . . . . 33 LEU HG . 15085 1 388 . 1 1 33 33 LEU HD11 H 1 -0.253 0.400 . 2 . . . . 33 LEU HD1 . 15085 1 389 . 1 1 33 33 LEU HD12 H 1 -0.253 0.400 . 2 . . . . 33 LEU HD1 . 15085 1 390 . 1 1 33 33 LEU HD13 H 1 -0.253 0.400 . 2 . . . . 33 LEU HD1 . 15085 1 391 . 1 1 33 33 LEU HD21 H 1 0.025 0.400 . 2 . . . . 33 LEU HD2 . 15085 1 392 . 1 1 33 33 LEU HD22 H 1 0.025 0.400 . 2 . . . . 33 LEU HD2 . 15085 1 393 . 1 1 33 33 LEU HD23 H 1 0.025 0.400 . 2 . . . . 33 LEU HD2 . 15085 1 394 . 1 1 33 33 LEU C C 13 176.942 0.400 . 1 . . . . 33 LEU C . 15085 1 395 . 1 1 33 33 LEU CA C 13 61.070 0.400 . 1 . . . . 33 LEU CA . 15085 1 396 . 1 1 33 33 LEU CB C 13 39.580 0.400 . 1 . . . . 33 LEU CB . 15085 1 397 . 1 1 33 33 LEU CG C 13 27.110 0.400 . 1 . . . . 33 LEU CG . 15085 1 398 . 1 1 33 33 LEU CD1 C 13 25.010 0.400 . 1 . . . . 33 LEU CD1 . 15085 1 399 . 1 1 33 33 LEU CD2 C 13 24.034 0.400 . 1 . . . . 33 LEU CD2 . 15085 1 400 . 1 1 33 33 LEU N N 15 115.958 0.400 . 1 . . . . 33 LEU N . 15085 1 401 . 1 1 34 34 TRP H H 1 7.764 0.020 . 1 . . . . 34 TRP H . 15085 1 402 . 1 1 34 34 TRP HA H 1 4.335 0.020 . 1 . . . . 34 TRP HA . 15085 1 403 . 1 1 34 34 TRP HB2 H 1 2.857 0.020 . 2 . . . . 34 TRP HB2 . 15085 1 404 . 1 1 34 34 TRP HB3 H 1 3.930 0.020 . 2 . . . . 34 TRP HB3 . 15085 1 405 . 1 1 34 34 TRP HD1 H 1 7.128 0.020 . 1 . . . . 34 TRP HD1 . 15085 1 406 . 1 1 34 34 TRP HE1 H 1 10.599 0.020 . 1 . . . . 34 TRP HE1 . 15085 1 407 . 1 1 34 34 TRP HZ2 H 1 6.868 0.020 . 1 . . . . 34 TRP HZ2 . 15085 1 408 . 1 1 34 34 TRP HH2 H 1 7.208 0.020 . 1 . . . . 34 TRP HH2 . 15085 1 409 . 1 1 34 34 TRP CA C 13 56.530 0.400 . 1 . . . . 34 TRP CA . 15085 1 410 . 1 1 34 34 TRP CB C 13 30.405 0.400 . 1 . . . . 34 TRP CB . 15085 1 411 . 1 1 34 34 TRP N N 15 119.292 0.400 . 1 . . . . 34 TRP N . 15085 1 412 . 1 1 34 34 TRP NE1 N 15 128.760 0.400 . 1 . . . . 34 TRP NE1 . 15085 1 413 . 1 1 35 35 GLY H H 1 7.480 0.020 . 1 . . . . 35 GLY H . 15085 1 414 . 1 1 35 35 GLY HA2 H 1 4.025 0.020 . 2 . . . . 35 GLY HA2 . 15085 1 415 . 1 1 35 35 GLY HA3 H 1 3.657 0.020 . 2 . . . . 35 GLY HA3 . 15085 1 416 . 1 1 35 35 GLY C C 13 173.787 0.400 . 1 . . . . 35 GLY C . 15085 1 417 . 1 1 35 35 GLY CA C 13 46.564 0.400 . 1 . . . . 35 GLY CA . 15085 1 418 . 1 1 35 35 GLY N N 15 108.035 0.400 . 1 . . . . 35 GLY N . 15085 1 419 . 1 1 36 36 GLY H H 1 7.350 0.020 . 1 . . . . 36 GLY H . 15085 1 420 . 1 1 36 36 GLY HA2 H 1 4.430 0.020 . 2 . . . . 36 GLY HA2 . 15085 1 421 . 1 1 36 36 GLY HA3 H 1 3.800 0.020 . 2 . . . . 36 GLY HA3 . 15085 1 422 . 1 1 36 36 GLY C C 13 171.821 0.400 . 1 . . . . 36 GLY C . 15085 1 423 . 1 1 36 36 GLY CA C 13 44.870 0.400 . 1 . . . . 36 GLY CA . 15085 1 424 . 1 1 36 36 GLY N N 15 106.129 0.400 . 1 . . . . 36 GLY N . 15085 1 425 . 1 1 37 37 LYS H H 1 8.919 0.020 . 1 . . . . 37 LYS H . 15085 1 426 . 1 1 37 37 LYS HA H 1 5.345 0.020 . 1 . . . . 37 LYS HA . 15085 1 427 . 1 1 37 37 LYS HB2 H 1 1.698 0.020 . 2 . . . . 37 LYS HB2 . 15085 1 428 . 1 1 37 37 LYS HB3 H 1 1.627 0.020 . 2 . . . . 37 LYS HB3 . 15085 1 429 . 1 1 37 37 LYS HG2 H 1 1.535 0.020 . 2 . . . . 37 LYS HG2 . 15085 1 430 . 1 1 37 37 LYS HG3 H 1 1.586 0.020 . 2 . . . . 37 LYS HG3 . 15085 1 431 . 1 1 37 37 LYS HD2 H 1 1.267 0.020 . 2 . . . . 37 LYS HD2 . 15085 1 432 . 1 1 37 37 LYS HD3 H 1 1.538 0.020 . 2 . . . . 37 LYS HD3 . 15085 1 433 . 1 1 37 37 LYS HE2 H 1 2.882 0.020 . 2 . . . . 37 LYS HE2 . 15085 1 434 . 1 1 37 37 LYS HE3 H 1 2.831 0.020 . 2 . . . . 37 LYS HE3 . 15085 1 435 . 1 1 37 37 LYS C C 13 178.068 0.400 . 1 . . . . 37 LYS C . 15085 1 436 . 1 1 37 37 LYS CA C 13 56.170 0.400 . 1 . . . . 37 LYS CA . 15085 1 437 . 1 1 37 37 LYS CB C 13 34.240 0.400 . 1 . . . . 37 LYS CB . 15085 1 438 . 1 1 37 37 LYS CG C 13 29.390 0.400 . 1 . . . . 37 LYS CG . 15085 1 439 . 1 1 37 37 LYS CD C 13 25.320 0.400 . 1 . . . . 37 LYS CD . 15085 1 440 . 1 1 37 37 LYS CE C 13 41.420 0.400 . 1 . . . . 37 LYS CE . 15085 1 441 . 1 1 37 37 LYS N N 15 119.860 0.400 . 1 . . . . 37 LYS N . 15085 1 442 . 1 1 38 38 VAL H H 1 9.309 0.020 . 1 . . . . 38 VAL H . 15085 1 443 . 1 1 38 38 VAL HA H 1 5.103 0.020 . 1 . . . . 38 VAL HA . 15085 1 444 . 1 1 38 38 VAL HB H 1 2.259 0.020 . 1 . . . . 38 VAL HB . 15085 1 445 . 1 1 38 38 VAL HG11 H 1 0.753 0.400 . 2 . . . . 38 VAL HG1 . 15085 1 446 . 1 1 38 38 VAL HG12 H 1 0.753 0.400 . 2 . . . . 38 VAL HG1 . 15085 1 447 . 1 1 38 38 VAL HG13 H 1 0.753 0.400 . 2 . . . . 38 VAL HG1 . 15085 1 448 . 1 1 38 38 VAL HG21 H 1 0.908 0.400 . 2 . . . . 38 VAL HG2 . 15085 1 449 . 1 1 38 38 VAL HG22 H 1 0.908 0.400 . 2 . . . . 38 VAL HG2 . 15085 1 450 . 1 1 38 38 VAL HG23 H 1 0.908 0.400 . 2 . . . . 38 VAL HG2 . 15085 1 451 . 1 1 38 38 VAL C C 13 174.161 0.400 . 1 . . . . 38 VAL C . 15085 1 452 . 1 1 38 38 VAL CA C 13 59.530 0.400 . 1 . . . . 38 VAL CA . 15085 1 453 . 1 1 38 38 VAL CB C 13 35.130 0.400 . 1 . . . . 38 VAL CB . 15085 1 454 . 1 1 38 38 VAL CG1 C 13 18.450 0.400 . 1 . . . . 38 VAL CG1 . 15085 1 455 . 1 1 38 38 VAL CG2 C 13 23.140 0.400 . 1 . . . . 38 VAL CG2 . 15085 1 456 . 1 1 38 38 VAL N N 15 116.042 0.400 . 1 . . . . 38 VAL N . 15085 1 457 . 1 1 39 39 THR H H 1 8.653 0.020 . 1 . . . . 39 THR H . 15085 1 458 . 1 1 39 39 THR HA H 1 5.235 0.020 . 1 . . . . 39 THR HA . 15085 1 459 . 1 1 39 39 THR HB H 1 3.809 0.020 . 1 . . . . 39 THR HB . 15085 1 460 . 1 1 39 39 THR HG21 H 1 1.236 0.400 . 1 . . . . 39 THR HG2 . 15085 1 461 . 1 1 39 39 THR HG22 H 1 1.236 0.400 . 1 . . . . 39 THR HG2 . 15085 1 462 . 1 1 39 39 THR HG23 H 1 1.236 0.400 . 1 . . . . 39 THR HG2 . 15085 1 463 . 1 1 39 39 THR C C 13 174.320 0.400 . 1 . . . . 39 THR C . 15085 1 464 . 1 1 39 39 THR CA C 13 61.080 0.400 . 1 . . . . 39 THR CA . 15085 1 465 . 1 1 39 39 THR CB C 13 70.570 0.400 . 1 . . . . 39 THR CB . 15085 1 466 . 1 1 39 39 THR CG2 C 13 21.690 0.400 . 1 . . . . 39 THR CG2 . 15085 1 467 . 1 1 39 39 THR N N 15 117.683 0.400 . 1 . . . . 39 THR N . 15085 1 468 . 1 1 40 40 LEU H H 1 9.443 0.020 . 1 . . . . 40 LEU H . 15085 1 469 . 1 1 40 40 LEU HA H 1 5.275 0.020 . 1 . . . . 40 LEU HA . 15085 1 470 . 1 1 40 40 LEU HB2 H 1 2.365 0.020 . 2 . . . . 40 LEU HB2 . 15085 1 471 . 1 1 40 40 LEU HB3 H 1 1.526 0.020 . 2 . . . . 40 LEU HB3 . 15085 1 472 . 1 1 40 40 LEU HG H 1 1.738 0.020 . 1 . . . . 40 LEU HG . 15085 1 473 . 1 1 40 40 LEU HD11 H 1 0.720 0.400 . 2 . . . . 40 LEU HD1 . 15085 1 474 . 1 1 40 40 LEU HD12 H 1 0.720 0.400 . 2 . . . . 40 LEU HD1 . 15085 1 475 . 1 1 40 40 LEU HD13 H 1 0.720 0.400 . 2 . . . . 40 LEU HD1 . 15085 1 476 . 1 1 40 40 LEU HD21 H 1 0.850 0.400 . 2 . . . . 40 LEU HD2 . 15085 1 477 . 1 1 40 40 LEU HD22 H 1 0.850 0.400 . 2 . . . . 40 LEU HD2 . 15085 1 478 . 1 1 40 40 LEU HD23 H 1 0.850 0.400 . 2 . . . . 40 LEU HD2 . 15085 1 479 . 1 1 40 40 LEU C C 13 180.640 0.400 . 1 . . . . 40 LEU C . 15085 1 480 . 1 1 40 40 LEU CA C 13 53.370 0.400 . 1 . . . . 40 LEU CA . 15085 1 481 . 1 1 40 40 LEU CB C 13 42.920 0.400 . 1 . . . . 40 LEU CB . 15085 1 482 . 1 1 40 40 LEU CG C 13 27.960 0.400 . 1 . . . . 40 LEU CG . 15085 1 483 . 1 1 40 40 LEU CD1 C 13 24.200 0.400 . 1 . . . . 40 LEU CD1 . 15085 1 484 . 1 1 40 40 LEU CD2 C 13 24.340 0.400 . 1 . . . . 40 LEU CD2 . 15085 1 485 . 1 1 40 40 LEU N N 15 125.631 0.400 . 1 . . . . 40 LEU N . 15085 1 486 . 1 1 41 41 ALA H H 1 8.809 0.020 . 1 . . . . 41 ALA H . 15085 1 487 . 1 1 41 41 ALA HA H 1 3.993 0.020 . 1 . . . . 41 ALA HA . 15085 1 488 . 1 1 41 41 ALA HB1 H 1 1.608 0.400 . 1 . . . . 41 ALA HB . 15085 1 489 . 1 1 41 41 ALA HB2 H 1 1.608 0.400 . 1 . . . . 41 ALA HB . 15085 1 490 . 1 1 41 41 ALA HB3 H 1 1.608 0.400 . 1 . . . . 41 ALA HB . 15085 1 491 . 1 1 41 41 ALA C C 13 176.541 0.400 . 1 . . . . 41 ALA C . 15085 1 492 . 1 1 41 41 ALA CA C 13 54.964 0.400 . 1 . . . . 41 ALA CA . 15085 1 493 . 1 1 41 41 ALA CB C 13 18.640 0.400 . 1 . . . . 41 ALA CB . 15085 1 494 . 1 1 41 41 ALA N N 15 123.009 0.400 . 1 . . . . 41 ALA N . 15085 1 495 . 1 1 42 42 ASN H H 1 7.091 0.020 . 1 . . . . 42 ASN H . 15085 1 496 . 1 1 42 42 ASN HA H 1 4.525 0.020 . 1 . . . . 42 ASN HA . 15085 1 497 . 1 1 42 42 ASN HB2 H 1 2.927 0.020 . 2 . . . . 42 ASN HB2 . 15085 1 498 . 1 1 42 42 ASN HB3 H 1 2.487 0.020 . 2 . . . . 42 ASN HB3 . 15085 1 499 . 1 1 42 42 ASN C C 13 175.915 0.400 . 1 . . . . 42 ASN C . 15085 1 500 . 1 1 42 42 ASN CA C 13 52.375 0.400 . 1 . . . . 42 ASN CA . 15085 1 501 . 1 1 42 42 ASN CB C 13 36.960 0.400 . 1 . . . . 42 ASN CB . 15085 1 502 . 1 1 42 42 ASN N N 15 112.071 0.400 . 1 . . . . 42 ASN N . 15085 1 503 . 1 1 43 43 GLY H H 1 8.187 0.020 . 1 . . . . 43 GLY H . 15085 1 504 . 1 1 43 43 GLY HA2 H 1 4.449 0.020 . 2 . . . . 43 GLY HA2 . 15085 1 505 . 1 1 43 43 GLY HA3 H 1 3.572 0.020 . 2 . . . . 43 GLY HA3 . 15085 1 506 . 1 1 43 43 GLY C C 13 174.906 0.400 . 1 . . . . 43 GLY C . 15085 1 507 . 1 1 43 43 GLY CA C 13 44.750 0.400 . 1 . . . . 43 GLY CA . 15085 1 508 . 1 1 43 43 GLY N N 15 108.314 0.400 . 1 . . . . 43 GLY N . 15085 1 509 . 1 1 44 44 TRP H H 1 7.744 0.020 . 1 . . . . 44 TRP H . 15085 1 510 . 1 1 44 44 TRP HA H 1 4.676 0.020 . 1 . . . . 44 TRP HA . 15085 1 511 . 1 1 44 44 TRP HB2 H 1 3.278 0.020 . 2 . . . . 44 TRP HB2 . 15085 1 512 . 1 1 44 44 TRP HB3 H 1 2.883 0.020 . 2 . . . . 44 TRP HB3 . 15085 1 513 . 1 1 44 44 TRP HD1 H 1 7.035 0.020 . 1 . . . . 44 TRP HD1 . 15085 1 514 . 1 1 44 44 TRP HE1 H 1 10.230 0.020 . 1 . . . . 44 TRP HE1 . 15085 1 515 . 1 1 44 44 TRP C C 13 175.051 0.400 . 1 . . . . 44 TRP C . 15085 1 516 . 1 1 44 44 TRP CA C 13 56.770 0.400 . 1 . . . . 44 TRP CA . 15085 1 517 . 1 1 44 44 TRP CB C 13 30.110 0.400 . 1 . . . . 44 TRP CB . 15085 1 518 . 1 1 44 44 TRP N N 15 120.856 0.400 . 1 . . . . 44 TRP N . 15085 1 519 . 1 1 44 44 TRP NE1 N 15 129.480 0.400 . 1 . . . . 44 TRP NE1 . 15085 1 520 . 1 1 45 45 GLN H H 1 9.158 0.020 . 1 . . . . 45 GLN H . 15085 1 521 . 1 1 45 45 GLN HA H 1 5.583 0.020 . 1 . . . . 45 GLN HA . 15085 1 522 . 1 1 45 45 GLN HB2 H 1 1.955 0.020 . 2 . . . . 45 GLN HB2 . 15085 1 523 . 1 1 45 45 GLN HB3 H 1 1.889 0.020 . 2 . . . . 45 GLN HB3 . 15085 1 524 . 1 1 45 45 GLN HG2 H 1 2.460 0.020 . 2 . . . . 45 GLN HG2 . 15085 1 525 . 1 1 45 45 GLN HG3 H 1 2.360 0.020 . 2 . . . . 45 GLN HG3 . 15085 1 526 . 1 1 45 45 GLN HE21 H 1 7.487 0.020 . 2 . . . . 45 GLN HE21 . 15085 1 527 . 1 1 45 45 GLN HE22 H 1 6.793 0.020 . 2 . . . . 45 GLN HE22 . 15085 1 528 . 1 1 45 45 GLN C C 13 174.666 0.400 . 1 . . . . 45 GLN C . 15085 1 529 . 1 1 45 45 GLN CA C 13 54.490 0.400 . 1 . . . . 45 GLN CA . 15085 1 530 . 1 1 45 45 GLN CB C 13 32.510 0.400 . 1 . . . . 45 GLN CB . 15085 1 531 . 1 1 45 45 GLN CG C 13 34.840 0.400 . 1 . . . . 45 GLN CG . 15085 1 532 . 1 1 45 45 GLN N N 15 120.260 0.400 . 1 . . . . 45 GLN N . 15085 1 533 . 1 1 45 45 GLN NE2 N 15 111.979 0.400 . 1 . . . . 45 GLN NE2 . 15085 1 534 . 1 1 46 46 LEU H H 1 8.867 0.020 . 1 . . . . 46 LEU H . 15085 1 535 . 1 1 46 46 LEU HA H 1 5.512 0.020 . 1 . . . . 46 LEU HA . 15085 1 536 . 1 1 46 46 LEU HB2 H 1 1.240 0.020 . 2 . . . . 46 LEU HB2 . 15085 1 537 . 1 1 46 46 LEU HB3 H 1 1.530 0.020 . 2 . . . . 46 LEU HB3 . 15085 1 538 . 1 1 46 46 LEU HG H 1 1.615 0.020 . 1 . . . . 46 LEU HG . 15085 1 539 . 1 1 46 46 LEU HD11 H 1 0.867 0.400 . 2 . . . . 46 LEU HD1 . 15085 1 540 . 1 1 46 46 LEU HD12 H 1 0.867 0.400 . 2 . . . . 46 LEU HD1 . 15085 1 541 . 1 1 46 46 LEU HD13 H 1 0.867 0.400 . 2 . . . . 46 LEU HD1 . 15085 1 542 . 1 1 46 46 LEU HD21 H 1 1.185 0.400 . 2 . . . . 46 LEU HD2 . 15085 1 543 . 1 1 46 46 LEU HD22 H 1 1.185 0.400 . 2 . . . . 46 LEU HD2 . 15085 1 544 . 1 1 46 46 LEU HD23 H 1 1.185 0.400 . 2 . . . . 46 LEU HD2 . 15085 1 545 . 1 1 46 46 LEU C C 13 175.662 0.400 . 1 . . . . 46 LEU C . 15085 1 546 . 1 1 46 46 LEU CA C 13 52.140 0.400 . 1 . . . . 46 LEU CA . 15085 1 547 . 1 1 46 46 LEU CB C 13 46.100 0.400 . 1 . . . . 46 LEU CB . 15085 1 548 . 1 1 46 46 LEU CG C 13 27.490 0.400 . 1 . . . . 46 LEU CG . 15085 1 549 . 1 1 46 46 LEU CD1 C 13 24.210 0.400 . 1 . . . . 46 LEU CD1 . 15085 1 550 . 1 1 46 46 LEU CD2 C 13 24.340 0.400 . 1 . . . . 46 LEU CD2 . 15085 1 551 . 1 1 46 46 LEU N N 15 120.407 0.400 . 1 . . . . 46 LEU N . 15085 1 552 . 1 1 47 47 GLU H H 1 9.229 0.020 . 1 . . . . 47 GLU H . 15085 1 553 . 1 1 47 47 GLU HA H 1 4.560 0.020 . 1 . . . . 47 GLU HA . 15085 1 554 . 1 1 47 47 GLU HB2 H 1 2.013 0.020 . 2 . . . . 47 GLU HB2 . 15085 1 555 . 1 1 47 47 GLU HB3 H 1 1.878 0.020 . 2 . . . . 47 GLU HB3 . 15085 1 556 . 1 1 47 47 GLU HG2 H 1 2.004 0.020 . 1 . . . . 47 GLU HG2 . 15085 1 557 . 1 1 47 47 GLU HG3 H 1 2.004 0.020 . 1 . . . . 47 GLU HG3 . 15085 1 558 . 1 1 47 47 GLU C C 13 176.148 0.400 . 1 . . . . 47 GLU C . 15085 1 559 . 1 1 47 47 GLU CA C 13 55.800 0.400 . 1 . . . . 47 GLU CA . 15085 1 560 . 1 1 47 47 GLU CB C 13 31.753 0.400 . 1 . . . . 47 GLU CB . 15085 1 561 . 1 1 47 47 GLU CG C 13 36.720 0.400 . 1 . . . . 47 GLU CG . 15085 1 562 . 1 1 47 47 GLU N N 15 121.003 0.400 . 1 . . . . 47 GLU N . 15085 1 563 . 1 1 48 48 LEU H H 1 8.483 0.020 . 1 . . . . 48 LEU H . 15085 1 564 . 1 1 48 48 LEU HA H 1 4.994 0.020 . 1 . . . . 48 LEU HA . 15085 1 565 . 1 1 48 48 LEU HB2 H 1 2.255 0.020 . 2 . . . . 48 LEU HB2 . 15085 1 566 . 1 1 48 48 LEU HB3 H 1 1.820 0.020 . 2 . . . . 48 LEU HB3 . 15085 1 567 . 1 1 48 48 LEU HG H 1 1.823 0.020 . 1 . . . . 48 LEU HG . 15085 1 568 . 1 1 48 48 LEU HD11 H 1 0.781 0.400 . 2 . . . . 48 LEU HD1 . 15085 1 569 . 1 1 48 48 LEU HD12 H 1 0.781 0.400 . 2 . . . . 48 LEU HD1 . 15085 1 570 . 1 1 48 48 LEU HD13 H 1 0.781 0.400 . 2 . . . . 48 LEU HD1 . 15085 1 571 . 1 1 48 48 LEU HD21 H 1 0.580 0.400 . 2 . . . . 48 LEU HD2 . 15085 1 572 . 1 1 48 48 LEU HD22 H 1 0.580 0.400 . 2 . . . . 48 LEU HD2 . 15085 1 573 . 1 1 48 48 LEU HD23 H 1 0.580 0.400 . 2 . . . . 48 LEU HD2 . 15085 1 574 . 1 1 48 48 LEU CA C 13 51.886 0.400 . 1 . . . . 48 LEU CA . 15085 1 575 . 1 1 48 48 LEU CB C 13 41.500 0.400 . 1 . . . . 48 LEU CB . 15085 1 576 . 1 1 48 48 LEU CG C 13 27.213 0.400 . 1 . . . . 48 LEU CG . 15085 1 577 . 1 1 48 48 LEU CD1 C 13 22.524 0.400 . 1 . . . . 48 LEU CD1 . 15085 1 578 . 1 1 48 48 LEU CD2 C 13 26.581 0.400 . 1 . . . . 48 LEU CD2 . 15085 1 579 . 1 1 48 48 LEU N N 15 126.672 0.400 . 1 . . . . 48 LEU N . 15085 1 580 . 1 1 49 49 PRO HA H 1 4.456 0.020 . 1 . . . . 49 PRO HA . 15085 1 581 . 1 1 49 49 PRO HG2 H 1 0.976 0.020 . 1 . . . . 49 PRO HG2 . 15085 1 582 . 1 1 49 49 PRO HG3 H 1 0.976 0.020 . 1 . . . . 49 PRO HG3 . 15085 1 583 . 1 1 49 49 PRO HD2 H 1 4.076 0.020 . 1 . . . . 49 PRO HD2 . 15085 1 584 . 1 1 49 49 PRO HD3 H 1 4.076 0.020 . 1 . . . . 49 PRO HD3 . 15085 1 585 . 1 1 49 49 PRO C C 13 176.639 0.400 . 1 . . . . 49 PRO C . 15085 1 586 . 1 1 49 49 PRO CA C 13 63.160 0.400 . 1 . . . . 49 PRO CA . 15085 1 587 . 1 1 49 49 PRO CD C 13 50.740 0.400 . 1 . . . . 49 PRO CD . 15085 1 588 . 1 1 50 50 ALA H H 1 8.475 0.020 . 1 . . . . 50 ALA H . 15085 1 589 . 1 1 50 50 ALA HA H 1 4.209 0.020 . 1 . . . . 50 ALA HA . 15085 1 590 . 1 1 50 50 ALA HB1 H 1 1.360 0.400 . 1 . . . . 50 ALA HB . 15085 1 591 . 1 1 50 50 ALA HB2 H 1 1.360 0.400 . 1 . . . . 50 ALA HB . 15085 1 592 . 1 1 50 50 ALA HB3 H 1 1.360 0.400 . 1 . . . . 50 ALA HB . 15085 1 593 . 1 1 50 50 ALA C C 13 176.714 0.400 . 1 . . . . 50 ALA C . 15085 1 594 . 1 1 50 50 ALA CA C 13 53.100 0.400 . 1 . . . . 50 ALA CA . 15085 1 595 . 1 1 50 50 ALA CB C 13 18.460 0.400 . 1 . . . . 50 ALA CB . 15085 1 596 . 1 1 50 50 ALA N N 15 122.677 0.400 . 1 . . . . 50 ALA N . 15085 1 597 . 1 1 51 51 MET H H 1 7.346 0.020 . 1 . . . . 51 MET H . 15085 1 598 . 1 1 51 51 MET HA H 1 4.380 0.020 . 1 . . . . 51 MET HA . 15085 1 599 . 1 1 51 51 MET HB2 H 1 1.460 0.020 . 2 . . . . 51 MET HB2 . 15085 1 600 . 1 1 51 51 MET HB3 H 1 0.630 0.020 . 2 . . . . 51 MET HB3 . 15085 1 601 . 1 1 51 51 MET HG2 H 1 1.830 0.020 . 2 . . . . 51 MET HG2 . 15085 1 602 . 1 1 51 51 MET HG3 H 1 1.180 0.020 . 2 . . . . 51 MET HG3 . 15085 1 603 . 1 1 51 51 MET C C 13 174.451 0.400 . 1 . . . . 51 MET C . 15085 1 604 . 1 1 51 51 MET CA C 13 53.660 0.400 . 1 . . . . 51 MET CA . 15085 1 605 . 1 1 51 51 MET CB C 13 35.520 0.400 . 1 . . . . 51 MET CB . 15085 1 606 . 1 1 51 51 MET CG C 13 32.423 0.400 . 1 . . . . 51 MET CG . 15085 1 607 . 1 1 51 51 MET N N 15 120.214 0.400 . 1 . . . . 51 MET N . 15085 1 608 . 1 1 52 52 ALA H H 1 8.079 0.020 . 1 . . . . 52 ALA H . 15085 1 609 . 1 1 52 52 ALA HA H 1 4.182 0.020 . 1 . . . . 52 ALA HA . 15085 1 610 . 1 1 52 52 ALA HB1 H 1 1.395 0.400 . 1 . . . . 52 ALA HB . 15085 1 611 . 1 1 52 52 ALA HB2 H 1 1.395 0.400 . 1 . . . . 52 ALA HB . 15085 1 612 . 1 1 52 52 ALA HB3 H 1 1.395 0.400 . 1 . . . . 52 ALA HB . 15085 1 613 . 1 1 52 52 ALA CA C 13 52.478 0.400 . 1 . . . . 52 ALA CA . 15085 1 614 . 1 1 52 52 ALA CB C 13 18.995 0.400 . 1 . . . . 52 ALA CB . 15085 1 615 . 1 1 52 52 ALA N N 15 121.517 0.400 . 1 . . . . 52 ALA N . 15085 1 616 . 1 1 53 53 ALA HA H 1 4.295 0.020 . 1 . . . . 53 ALA HA . 15085 1 617 . 1 1 53 53 ALA HB1 H 1 1.543 0.400 . 1 . . . . 53 ALA HB . 15085 1 618 . 1 1 53 53 ALA HB2 H 1 1.543 0.400 . 1 . . . . 53 ALA HB . 15085 1 619 . 1 1 53 53 ALA HB3 H 1 1.543 0.400 . 1 . . . . 53 ALA HB . 15085 1 620 . 1 1 53 53 ALA C C 13 178.313 0.400 . 1 . . . . 53 ALA C . 15085 1 621 . 1 1 53 53 ALA CA C 13 55.252 0.400 . 1 . . . . 53 ALA CA . 15085 1 622 . 1 1 53 53 ALA CB C 13 18.610 0.400 . 1 . . . . 53 ALA CB . 15085 1 623 . 1 1 54 54 ASP H H 1 8.307 0.020 . 1 . . . . 54 ASP H . 15085 1 624 . 1 1 54 54 ASP HA H 1 4.641 0.020 . 1 . . . . 54 ASP HA . 15085 1 625 . 1 1 54 54 ASP HB2 H 1 2.920 0.020 . 2 . . . . 54 ASP HB2 . 15085 1 626 . 1 1 54 54 ASP HB3 H 1 2.620 0.020 . 2 . . . . 54 ASP HB3 . 15085 1 627 . 1 1 54 54 ASP C C 13 175.695 0.400 . 1 . . . . 54 ASP C . 15085 1 628 . 1 1 54 54 ASP CA C 13 52.990 0.400 . 1 . . . . 54 ASP CA . 15085 1 629 . 1 1 54 54 ASP CB C 13 39.160 0.400 . 1 . . . . 54 ASP CB . 15085 1 630 . 1 1 54 54 ASP N N 15 114.839 0.400 . 1 . . . . 54 ASP N . 15085 1 631 . 1 1 55 55 THR H H 1 7.493 0.020 . 1 . . . . 55 THR H . 15085 1 632 . 1 1 55 55 THR HA H 1 4.115 0.020 . 1 . . . . 55 THR HA . 15085 1 633 . 1 1 55 55 THR HG21 H 1 1.105 0.400 . 1 . . . . 55 THR HG2 . 15085 1 634 . 1 1 55 55 THR HG22 H 1 1.105 0.400 . 1 . . . . 55 THR HG2 . 15085 1 635 . 1 1 55 55 THR HG23 H 1 1.105 0.400 . 1 . . . . 55 THR HG2 . 15085 1 636 . 1 1 55 55 THR CA C 13 63.268 0.400 . 1 . . . . 55 THR CA . 15085 1 637 . 1 1 55 55 THR CG2 C 13 21.104 0.400 . 1 . . . . 55 THR CG2 . 15085 1 638 . 1 1 55 55 THR N N 15 119.749 0.400 . 1 . . . . 55 THR N . 15085 1 639 . 1 1 56 56 PRO HA H 1 4.456 0.020 . 1 . . . . 56 PRO HA . 15085 1 640 . 1 1 56 56 PRO HB2 H 1 2.335 0.020 . 2 . . . . 56 PRO HB2 . 15085 1 641 . 1 1 56 56 PRO HB3 H 1 1.948 0.020 . 2 . . . . 56 PRO HB3 . 15085 1 642 . 1 1 56 56 PRO HG2 H 1 2.120 0.020 . 2 . . . . 56 PRO HG2 . 15085 1 643 . 1 1 56 56 PRO HG3 H 1 2.024 0.020 . 2 . . . . 56 PRO HG3 . 15085 1 644 . 1 1 56 56 PRO HD2 H 1 4.072 0.020 . 2 . . . . 56 PRO HD2 . 15085 1 645 . 1 1 56 56 PRO HD3 H 1 3.674 0.020 . 2 . . . . 56 PRO HD3 . 15085 1 646 . 1 1 56 56 PRO C C 13 174.567 0.400 . 1 . . . . 56 PRO C . 15085 1 647 . 1 1 56 56 PRO CA C 13 63.160 0.400 . 1 . . . . 56 PRO CA . 15085 1 648 . 1 1 56 56 PRO CB C 13 32.390 0.400 . 1 . . . . 56 PRO CB . 15085 1 649 . 1 1 56 56 PRO CG C 13 27.470 0.400 . 1 . . . . 56 PRO CG . 15085 1 650 . 1 1 56 56 PRO CD C 13 52.020 0.400 . 1 . . . . 56 PRO CD . 15085 1 651 . 1 1 57 57 LEU H H 1 8.099 0.020 . 1 . . . . 57 LEU H . 15085 1 652 . 1 1 57 57 LEU HA H 1 4.645 0.020 . 1 . . . . 57 LEU HA . 15085 1 653 . 1 1 57 57 LEU HB2 H 1 1.800 0.020 . 2 . . . . 57 LEU HB2 . 15085 1 654 . 1 1 57 57 LEU HB3 H 1 1.624 0.020 . 2 . . . . 57 LEU HB3 . 15085 1 655 . 1 1 57 57 LEU HD11 H 1 1.111 0.400 . 2 . . . . 57 LEU HD1 . 15085 1 656 . 1 1 57 57 LEU HD12 H 1 1.111 0.400 . 2 . . . . 57 LEU HD1 . 15085 1 657 . 1 1 57 57 LEU HD13 H 1 1.111 0.400 . 2 . . . . 57 LEU HD1 . 15085 1 658 . 1 1 57 57 LEU HD21 H 1 1.188 0.400 . 2 . . . . 57 LEU HD2 . 15085 1 659 . 1 1 57 57 LEU HD22 H 1 1.188 0.400 . 2 . . . . 57 LEU HD2 . 15085 1 660 . 1 1 57 57 LEU HD23 H 1 1.188 0.400 . 2 . . . . 57 LEU HD2 . 15085 1 661 . 1 1 57 57 LEU CA C 13 51.886 0.400 . 1 . . . . 57 LEU CA . 15085 1 662 . 1 1 57 57 LEU CB C 13 42.800 0.400 . 1 . . . . 57 LEU CB . 15085 1 663 . 1 1 57 57 LEU CD1 C 13 27.222 0.400 . 1 . . . . 57 LEU CD1 . 15085 1 664 . 1 1 57 57 LEU CD2 C 13 24.391 0.400 . 1 . . . . 57 LEU CD2 . 15085 1 665 . 1 1 57 57 LEU N N 15 119.794 0.400 . 1 . . . . 57 LEU N . 15085 1 666 . 1 1 58 58 PRO HA H 1 5.338 0.020 . 1 . . . . 58 PRO HA . 15085 1 667 . 1 1 58 58 PRO HB2 H 1 2.493 0.020 . 2 . . . . 58 PRO HB2 . 15085 1 668 . 1 1 58 58 PRO HB3 H 1 2.144 0.020 . 2 . . . . 58 PRO HB3 . 15085 1 669 . 1 1 58 58 PRO HG2 H 1 2.017 0.020 . 2 . . . . 58 PRO HG2 . 15085 1 670 . 1 1 58 58 PRO HG3 H 1 1.941 0.020 . 2 . . . . 58 PRO HG3 . 15085 1 671 . 1 1 58 58 PRO HD2 H 1 3.660 0.020 . 1 . . . . 58 PRO HD2 . 15085 1 672 . 1 1 58 58 PRO HD3 H 1 3.660 0.020 . 1 . . . . 58 PRO HD3 . 15085 1 673 . 1 1 58 58 PRO C C 13 175.662 0.400 . 1 . . . . 58 PRO C . 15085 1 674 . 1 1 58 58 PRO CA C 13 62.330 0.400 . 1 . . . . 58 PRO CA . 15085 1 675 . 1 1 58 58 PRO CB C 13 36.500 0.400 . 1 . . . . 58 PRO CB . 15085 1 676 . 1 1 58 58 PRO CG C 13 24.844 0.400 . 1 . . . . 58 PRO CG . 15085 1 677 . 1 1 58 58 PRO CD C 13 50.930 0.400 . 1 . . . . 58 PRO CD . 15085 1 678 . 1 1 59 59 ILE H H 1 8.314 0.020 . 1 . . . . 59 ILE H . 15085 1 679 . 1 1 59 59 ILE HA H 1 4.714 0.020 . 1 . . . . 59 ILE HA . 15085 1 680 . 1 1 59 59 ILE HB H 1 2.180 0.020 . 1 . . . . 59 ILE HB . 15085 1 681 . 1 1 59 59 ILE HG12 H 1 1.676 0.020 . 2 . . . . 59 ILE HG12 . 15085 1 682 . 1 1 59 59 ILE HG13 H 1 1.139 0.020 . 2 . . . . 59 ILE HG13 . 15085 1 683 . 1 1 59 59 ILE HG21 H 1 1.053 0.400 . 1 . . . . 59 ILE HG2 . 15085 1 684 . 1 1 59 59 ILE HG22 H 1 1.053 0.400 . 1 . . . . 59 ILE HG2 . 15085 1 685 . 1 1 59 59 ILE HG23 H 1 1.053 0.400 . 1 . . . . 59 ILE HG2 . 15085 1 686 . 1 1 59 59 ILE HD11 H 1 0.755 0.400 . 1 . . . . 59 ILE HD1 . 15085 1 687 . 1 1 59 59 ILE HD12 H 1 0.755 0.400 . 1 . . . . 59 ILE HD1 . 15085 1 688 . 1 1 59 59 ILE HD13 H 1 0.755 0.400 . 1 . . . . 59 ILE HD1 . 15085 1 689 . 1 1 59 59 ILE C C 13 172.245 0.400 . 1 . . . . 59 ILE C . 15085 1 690 . 1 1 59 59 ILE CA C 13 60.440 0.400 . 1 . . . . 59 ILE CA . 15085 1 691 . 1 1 59 59 ILE CB C 13 41.890 0.400 . 1 . . . . 59 ILE CB . 15085 1 692 . 1 1 59 59 ILE CG1 C 13 29.210 0.400 . 1 . . . . 59 ILE CG1 . 15085 1 693 . 1 1 59 59 ILE CG2 C 13 17.250 0.400 . 1 . . . . 59 ILE CG2 . 15085 1 694 . 1 1 59 59 ILE CD1 C 13 14.590 0.400 . 1 . . . . 59 ILE CD1 . 15085 1 695 . 1 1 59 59 ILE N N 15 118.769 0.400 . 1 . . . . 59 ILE N . 15085 1 696 . 1 1 60 60 THR H H 1 8.307 0.020 . 1 . . . . 60 THR H . 15085 1 697 . 1 1 60 60 THR HA H 1 5.420 0.020 . 1 . . . . 60 THR HA . 15085 1 698 . 1 1 60 60 THR HB H 1 4.016 0.020 . 1 . . . . 60 THR HB . 15085 1 699 . 1 1 60 60 THR HG21 H 1 1.133 0.400 . 1 . . . . 60 THR HG2 . 15085 1 700 . 1 1 60 60 THR HG22 H 1 1.133 0.400 . 1 . . . . 60 THR HG2 . 15085 1 701 . 1 1 60 60 THR HG23 H 1 1.133 0.400 . 1 . . . . 60 THR HG2 . 15085 1 702 . 1 1 60 60 THR C C 13 174.198 0.400 . 1 . . . . 60 THR C . 15085 1 703 . 1 1 60 60 THR CA C 13 62.280 0.400 . 1 . . . . 60 THR CA . 15085 1 704 . 1 1 60 60 THR CB C 13 68.980 0.400 . 1 . . . . 60 THR CB . 15085 1 705 . 1 1 60 60 THR CG2 C 13 21.920 0.400 . 1 . . . . 60 THR CG2 . 15085 1 706 . 1 1 60 60 THR N N 15 124.036 0.400 . 1 . . . . 60 THR N . 15085 1 707 . 1 1 61 61 VAL H H 1 9.250 0.020 . 1 . . . . 61 VAL H . 15085 1 708 . 1 1 61 61 VAL HA H 1 4.803 0.020 . 1 . . . . 61 VAL HA . 15085 1 709 . 1 1 61 61 VAL HB H 1 2.293 0.020 . 1 . . . . 61 VAL HB . 15085 1 710 . 1 1 61 61 VAL HG11 H 1 0.983 0.400 . 2 . . . . 61 VAL HG1 . 15085 1 711 . 1 1 61 61 VAL HG12 H 1 0.983 0.400 . 2 . . . . 61 VAL HG1 . 15085 1 712 . 1 1 61 61 VAL HG13 H 1 0.983 0.400 . 2 . . . . 61 VAL HG1 . 15085 1 713 . 1 1 61 61 VAL HG21 H 1 1.028 0.400 . 2 . . . . 61 VAL HG2 . 15085 1 714 . 1 1 61 61 VAL HG22 H 1 1.028 0.400 . 2 . . . . 61 VAL HG2 . 15085 1 715 . 1 1 61 61 VAL HG23 H 1 1.028 0.400 . 2 . . . . 61 VAL HG2 . 15085 1 716 . 1 1 61 61 VAL C C 13 173.717 0.400 . 1 . . . . 61 VAL C . 15085 1 717 . 1 1 61 61 VAL CA C 13 58.530 0.400 . 1 . . . . 61 VAL CA . 15085 1 718 . 1 1 61 61 VAL CB C 13 36.020 0.400 . 1 . . . . 61 VAL CB . 15085 1 719 . 1 1 61 61 VAL CG1 C 13 22.570 0.400 . 1 . . . . 61 VAL CG1 . 15085 1 720 . 1 1 61 61 VAL CG2 C 13 18.480 0.400 . 1 . . . . 61 VAL CG2 . 15085 1 721 . 1 1 61 61 VAL N N 15 120.013 0.400 . 1 . . . . 61 VAL N . 15085 1 722 . 1 1 62 62 GLU H H 1 8.489 0.020 . 1 . . . . 62 GLU H . 15085 1 723 . 1 1 62 62 GLU HA H 1 4.787 0.020 . 1 . . . . 62 GLU HA . 15085 1 724 . 1 1 62 62 GLU HB2 H 1 2.006 0.020 . 2 . . . . 62 GLU HB2 . 15085 1 725 . 1 1 62 62 GLU HB3 H 1 1.864 0.020 . 2 . . . . 62 GLU HB3 . 15085 1 726 . 1 1 62 62 GLU HG2 H 1 2.128 0.020 . 1 . . . . 62 GLU HG2 . 15085 1 727 . 1 1 62 62 GLU HG3 H 1 2.128 0.020 . 1 . . . . 62 GLU HG3 . 15085 1 728 . 1 1 62 62 GLU C C 13 175.028 0.400 . 1 . . . . 62 GLU C . 15085 1 729 . 1 1 62 62 GLU CA C 13 55.860 0.400 . 1 . . . . 62 GLU CA . 15085 1 730 . 1 1 62 62 GLU CB C 13 29.990 0.400 . 1 . . . . 62 GLU CB . 15085 1 731 . 1 1 62 62 GLU CG C 13 36.990 0.400 . 1 . . . . 62 GLU CG . 15085 1 732 . 1 1 62 62 GLU N N 15 121.050 0.400 . 1 . . . . 62 GLU N . 15085 1 733 . 1 1 63 63 ALA H H 1 8.984 0.020 . 1 . . . . 63 ALA H . 15085 1 734 . 1 1 63 63 ALA HA H 1 4.983 0.020 . 1 . . . . 63 ALA HA . 15085 1 735 . 1 1 63 63 ALA HB1 H 1 1.370 0.400 . 1 . . . . 63 ALA HB . 15085 1 736 . 1 1 63 63 ALA HB2 H 1 1.370 0.400 . 1 . . . . 63 ALA HB . 15085 1 737 . 1 1 63 63 ALA HB3 H 1 1.370 0.400 . 1 . . . . 63 ALA HB . 15085 1 738 . 1 1 63 63 ALA C C 13 175.321 0.400 . 1 . . . . 63 ALA C . 15085 1 739 . 1 1 63 63 ALA CA C 13 50.070 0.400 . 1 . . . . 63 ALA CA . 15085 1 740 . 1 1 63 63 ALA CB C 13 23.790 0.400 . 1 . . . . 63 ALA CB . 15085 1 741 . 1 1 63 63 ALA N N 15 127.325 0.400 . 1 . . . . 63 ALA N . 15085 1 742 . 1 1 64 64 ARG H H 1 7.780 0.020 . 1 . . . . 64 ARG H . 15085 1 743 . 1 1 64 64 ARG HA H 1 4.712 0.020 . 1 . . . . 64 ARG HA . 15085 1 744 . 1 1 64 64 ARG HB2 H 1 1.609 0.020 . 1 . . . . 64 ARG HB2 . 15085 1 745 . 1 1 64 64 ARG HB3 H 1 1.609 0.020 . 1 . . . . 64 ARG HB3 . 15085 1 746 . 1 1 64 64 ARG HG2 H 1 1.453 0.020 . 2 . . . . 64 ARG HG2 . 15085 1 747 . 1 1 64 64 ARG HG3 H 1 1.283 0.020 . 2 . . . . 64 ARG HG3 . 15085 1 748 . 1 1 64 64 ARG HD2 H 1 2.830 0.020 . 2 . . . . 64 ARG HD2 . 15085 1 749 . 1 1 64 64 ARG HD3 H 1 2.940 0.020 . 2 . . . . 64 ARG HD3 . 15085 1 750 . 1 1 64 64 ARG C C 13 174.822 0.400 . 1 . . . . 64 ARG C . 15085 1 751 . 1 1 64 64 ARG CA C 13 54.910 0.400 . 1 . . . . 64 ARG CA . 15085 1 752 . 1 1 64 64 ARG CB C 13 33.080 0.400 . 1 . . . . 64 ARG CB . 15085 1 753 . 1 1 64 64 ARG CG C 13 27.490 0.400 . 1 . . . . 64 ARG CG . 15085 1 754 . 1 1 64 64 ARG CD C 13 43.977 0.400 . 1 . . . . 64 ARG CD . 15085 1 755 . 1 1 64 64 ARG N N 15 118.324 0.400 . 1 . . . . 64 ARG N . 15085 1 756 . 1 1 65 65 LYS H H 1 8.836 0.020 . 1 . . . . 65 LYS H . 15085 1 757 . 1 1 65 65 LYS HA H 1 4.661 0.020 . 1 . . . . 65 LYS HA . 15085 1 758 . 1 1 65 65 LYS HB2 H 1 1.662 0.020 . 2 . . . . 65 LYS HB2 . 15085 1 759 . 1 1 65 65 LYS HB3 H 1 1.401 0.020 . 2 . . . . 65 LYS HB3 . 15085 1 760 . 1 1 65 65 LYS HG2 H 1 1.288 0.020 . 2 . . . . 65 LYS HG2 . 15085 1 761 . 1 1 65 65 LYS HG3 H 1 0.966 0.020 . 2 . . . . 65 LYS HG3 . 15085 1 762 . 1 1 65 65 LYS HD2 H 1 0.947 0.020 . 2 . . . . 65 LYS HD2 . 15085 1 763 . 1 1 65 65 LYS HD3 H 1 0.751 0.020 . 2 . . . . 65 LYS HD3 . 15085 1 764 . 1 1 65 65 LYS HE2 H 1 1.580 0.020 . 1 . . . . 65 LYS HE2 . 15085 1 765 . 1 1 65 65 LYS HE3 H 1 1.580 0.020 . 1 . . . . 65 LYS HE3 . 15085 1 766 . 1 1 65 65 LYS C C 13 175.066 0.400 . 1 . . . . 65 LYS C . 15085 1 767 . 1 1 65 65 LYS CA C 13 56.170 0.400 . 1 . . . . 65 LYS CA . 15085 1 768 . 1 1 65 65 LYS CB C 13 33.550 0.400 . 1 . . . . 65 LYS CB . 15085 1 769 . 1 1 65 65 LYS CG C 13 24.950 0.400 . 1 . . . . 65 LYS CG . 15085 1 770 . 1 1 65 65 LYS CD C 13 29.100 0.400 . 1 . . . . 65 LYS CD . 15085 1 771 . 1 1 65 65 LYS CE C 13 40.780 0.400 . 1 . . . . 65 LYS CE . 15085 1 772 . 1 1 65 65 LYS N N 15 127.353 0.400 . 1 . . . . 65 LYS N . 15085 1 773 . 1 1 66 66 LEU H H 1 8.367 0.020 . 1 . . . . 66 LEU H . 15085 1 774 . 1 1 66 66 LEU HA H 1 4.164 0.020 . 1 . . . . 66 LEU HA . 15085 1 775 . 1 1 66 66 LEU HB2 H 1 1.570 0.020 . 1 . . . . 66 LEU HB2 . 15085 1 776 . 1 1 66 66 LEU HB3 H 1 1.570 0.020 . 1 . . . . 66 LEU HB3 . 15085 1 777 . 1 1 66 66 LEU HG H 1 1.515 0.020 . 1 . . . . 66 LEU HG . 15085 1 778 . 1 1 66 66 LEU HD11 H 1 0.785 0.400 . 2 . . . . 66 LEU HD1 . 15085 1 779 . 1 1 66 66 LEU HD12 H 1 0.785 0.400 . 2 . . . . 66 LEU HD1 . 15085 1 780 . 1 1 66 66 LEU HD13 H 1 0.785 0.400 . 2 . . . . 66 LEU HD1 . 15085 1 781 . 1 1 66 66 LEU HD21 H 1 0.725 0.400 . 2 . . . . 66 LEU HD2 . 15085 1 782 . 1 1 66 66 LEU HD22 H 1 0.725 0.400 . 2 . . . . 66 LEU HD2 . 15085 1 783 . 1 1 66 66 LEU HD23 H 1 0.725 0.400 . 2 . . . . 66 LEU HD2 . 15085 1 784 . 1 1 66 66 LEU CA C 13 56.640 0.400 . 1 . . . . 66 LEU CA . 15085 1 785 . 1 1 66 66 LEU CB C 13 42.660 0.400 . 1 . . . . 66 LEU CB . 15085 1 786 . 1 1 66 66 LEU CG C 13 28.121 0.400 . 1 . . . . 66 LEU CG . 15085 1 787 . 1 1 66 66 LEU CD1 C 13 25.999 0.400 . 1 . . . . 66 LEU CD1 . 15085 1 788 . 1 1 66 66 LEU CD2 C 13 23.169 0.400 . 1 . . . . 66 LEU CD2 . 15085 1 789 . 1 1 66 66 LEU N N 15 135.134 0.400 . 1 . . . . 66 LEU N . 15085 1 stop_ save_