data_18562 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18562 _Entry.Title ; Backbone and side-chain assignments of an effector membrane localization domain from Vibrio vulnificus MARTX toxin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-06-30 _Entry.Accession_date 2012-06-30 _Entry.Last_release_date 2014-02-11 _Entry.Original_release_date 2014-02-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Membrane Localization Domain from MARTX of Vibrio Vulnificus (residues 3591-3672) assigned by solution NMR at pH 7.4 in 500 mM NaCl' _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 Michael Brothers . C. . 18562 2 Brett Geissler . . . 18562 3 Grant Hsiao . S. . 18562 4 Brenda Wilson . A. . 18562 5 Karla Satchell . J. . 18562 6 Chad Rienstra . M. . 18562 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18562 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 323 18562 '15N chemical shifts' 73 18562 '1H chemical shifts' 427 18562 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 . . 2014-02-11 2012-06-30 original author . 18562 stop_ save_ ############### # Citations # ############### save_entry_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode entry_citation_1 _Citation.Entry_ID 18562 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23765285 _Citation.Full_citation . _Citation.Title 'Backbone and side-chain assignments of an effector membrane localization domain from Vibrio vulnificus MARTX toxin.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _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 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Michael Brothers . C. . 18562 1 2 Brett Geissler . . . 18562 1 3 Grant Hisao . S. . 18562 1 4 Brenda Wilson . A. . 18562 1 5 Karla Satchell . J.F. . 18562 1 6 Chad Rienstra . M. . 18562 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'four-helical bundle' 18562 1 MARTX 18562 1 'Membrane localization domain' 18562 1 'Pasteurella multocida toxin' 18562 1 'Vibrio vulnificus' 18562 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18562 _Assembly.ID 1 _Assembly.Name VvMARTX _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 10.1 _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 'VvMARTX MLD' 1 $MLD_VvDUF5 A . yes native no no . . . 18562 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Localizes effector domain of unknown function to interior surface of membranes' 18562 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MLD_VvDUF5 _Entity.Sf_category entity _Entity.Sf_framecode MLD_VvDUF5 _Entity.Entry_ID 18562 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name VvMARTX_MLD _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 ; MGQIFTVQELKERAKVFAKP IGASYQGILDQLDLVHQAKG RDQIAASFELNKKINDYIAE HPTSGRNQALTQLKEQVTSA LGLEHHHHHH ; _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 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 4ERR . "1.55 Angstrom Crystal Structure Of The Four Helical Bundle Membrane Localization Domain (4hbm) Of The Vibrio Vulnificus Martx E" . . . . . 100.00 90 100.00 100.00 1.08e-57 . . . . 18562 1 2 no GB AIS39496 . "putative RTX-toxin, partial [Vibrio vulnificus]" . . . . . 52.22 214 97.87 97.87 2.75e-21 . . . . 18562 1 3 no GB AIS39497 . "putative RTX-toxin, partial [Vibrio vulnificus]" . . . . . 52.22 214 97.87 97.87 2.87e-21 . . . . 18562 1 4 no GB AIS39498 . "putative RTX-toxin, partial [Vibrio vulnificus]" . . . . . 52.22 214 97.87 97.87 3.80e-21 . . . . 18562 1 5 no GB AIS39499 . "putative RTX-toxin, partial [Vibrio vulnificus]" . . . . . 52.22 214 97.87 100.00 6.14e-22 . . . . 18562 1 6 no GB AIS39500 . "putative RTX-toxin, partial [Vibrio vulnificus]" . . . . . 52.22 214 97.87 100.00 6.14e-22 . . . . 18562 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 1 MET . 18562 1 2 2 GLY . 18562 1 3 3 GLN . 18562 1 4 4 ILE . 18562 1 5 5 PHE . 18562 1 6 6 THR . 18562 1 7 7 VAL . 18562 1 8 8 GLN . 18562 1 9 9 GLU . 18562 1 10 10 LEU . 18562 1 11 11 LYS . 18562 1 12 12 GLU . 18562 1 13 13 ARG . 18562 1 14 14 ALA . 18562 1 15 15 LYS . 18562 1 16 16 VAL . 18562 1 17 17 PHE . 18562 1 18 18 ALA . 18562 1 19 19 LYS . 18562 1 20 20 PRO . 18562 1 21 21 ILE . 18562 1 22 22 GLY . 18562 1 23 23 ALA . 18562 1 24 24 SER . 18562 1 25 25 TYR . 18562 1 26 26 GLN . 18562 1 27 27 GLY . 18562 1 28 28 ILE . 18562 1 29 29 LEU . 18562 1 30 30 ASP . 18562 1 31 31 GLN . 18562 1 32 32 LEU . 18562 1 33 33 ASP . 18562 1 34 34 LEU . 18562 1 35 35 VAL . 18562 1 36 36 HIS . 18562 1 37 37 GLN . 18562 1 38 38 ALA . 18562 1 39 39 LYS . 18562 1 40 40 GLY . 18562 1 41 41 ARG . 18562 1 42 42 ASP . 18562 1 43 43 GLN . 18562 1 44 44 ILE . 18562 1 45 45 ALA . 18562 1 46 46 ALA . 18562 1 47 47 SER . 18562 1 48 48 PHE . 18562 1 49 49 GLU . 18562 1 50 50 LEU . 18562 1 51 51 ASN . 18562 1 52 52 LYS . 18562 1 53 53 LYS . 18562 1 54 54 ILE . 18562 1 55 55 ASN . 18562 1 56 56 ASP . 18562 1 57 57 TYR . 18562 1 58 58 ILE . 18562 1 59 59 ALA . 18562 1 60 60 GLU . 18562 1 61 61 HIS . 18562 1 62 62 PRO . 18562 1 63 63 THR . 18562 1 64 64 SER . 18562 1 65 65 GLY . 18562 1 66 66 ARG . 18562 1 67 67 ASN . 18562 1 68 68 GLN . 18562 1 69 69 ALA . 18562 1 70 70 LEU . 18562 1 71 71 THR . 18562 1 72 72 GLN . 18562 1 73 73 LEU . 18562 1 74 74 LYS . 18562 1 75 75 GLU . 18562 1 76 76 GLN . 18562 1 77 77 VAL . 18562 1 78 78 THR . 18562 1 79 79 SER . 18562 1 80 80 ALA . 18562 1 81 81 LEU . 18562 1 82 82 GLY . 18562 1 83 83 LEU . 18562 1 84 84 GLU . 18562 1 85 85 HIS . 18562 1 86 86 HIS . 18562 1 87 87 HIS . 18562 1 88 88 HIS . 18562 1 89 89 HIS . 18562 1 90 90 HIS . 18562 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 18562 1 . GLY 2 2 18562 1 . GLN 3 3 18562 1 . ILE 4 4 18562 1 . PHE 5 5 18562 1 . THR 6 6 18562 1 . VAL 7 7 18562 1 . GLN 8 8 18562 1 . GLU 9 9 18562 1 . LEU 10 10 18562 1 . LYS 11 11 18562 1 . GLU 12 12 18562 1 . ARG 13 13 18562 1 . ALA 14 14 18562 1 . LYS 15 15 18562 1 . VAL 16 16 18562 1 . PHE 17 17 18562 1 . ALA 18 18 18562 1 . LYS 19 19 18562 1 . PRO 20 20 18562 1 . ILE 21 21 18562 1 . GLY 22 22 18562 1 . ALA 23 23 18562 1 . SER 24 24 18562 1 . TYR 25 25 18562 1 . GLN 26 26 18562 1 . GLY 27 27 18562 1 . ILE 28 28 18562 1 . LEU 29 29 18562 1 . ASP 30 30 18562 1 . GLN 31 31 18562 1 . LEU 32 32 18562 1 . ASP 33 33 18562 1 . LEU 34 34 18562 1 . VAL 35 35 18562 1 . HIS 36 36 18562 1 . GLN 37 37 18562 1 . ALA 38 38 18562 1 . LYS 39 39 18562 1 . GLY 40 40 18562 1 . ARG 41 41 18562 1 . ASP 42 42 18562 1 . GLN 43 43 18562 1 . ILE 44 44 18562 1 . ALA 45 45 18562 1 . ALA 46 46 18562 1 . SER 47 47 18562 1 . PHE 48 48 18562 1 . GLU 49 49 18562 1 . LEU 50 50 18562 1 . ASN 51 51 18562 1 . LYS 52 52 18562 1 . LYS 53 53 18562 1 . ILE 54 54 18562 1 . ASN 55 55 18562 1 . ASP 56 56 18562 1 . TYR 57 57 18562 1 . ILE 58 58 18562 1 . ALA 59 59 18562 1 . GLU 60 60 18562 1 . HIS 61 61 18562 1 . PRO 62 62 18562 1 . THR 63 63 18562 1 . SER 64 64 18562 1 . GLY 65 65 18562 1 . ARG 66 66 18562 1 . ASN 67 67 18562 1 . GLN 68 68 18562 1 . ALA 69 69 18562 1 . LEU 70 70 18562 1 . THR 71 71 18562 1 . GLN 72 72 18562 1 . LEU 73 73 18562 1 . LYS 74 74 18562 1 . GLU 75 75 18562 1 . GLN 76 76 18562 1 . VAL 77 77 18562 1 . THR 78 78 18562 1 . SER 79 79 18562 1 . ALA 80 80 18562 1 . LEU 81 81 18562 1 . GLY 82 82 18562 1 . LEU 83 83 18562 1 . GLU 84 84 18562 1 . HIS 85 85 18562 1 . HIS 86 86 18562 1 . HIS 87 87 18562 1 . HIS 88 88 18562 1 . HIS 89 89 18562 1 . HIS 90 90 18562 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 18562 _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 $MLD_VvDUF5 . 672 organism . 'Vibrio Vulnificus' g-proteobacteria . . Bacteria . Vibrio Vulnificus . . . . . . . . . . . . . . . . . . . . . 18562 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 18562 _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 $MLD_VvDUF5 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pYCpet . . . . . . 18562 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18562 _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 DSS 'natural abundance' . . . . . . .01 . . mM . . . . 18562 1 2 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 18562 1 3 NaCl 'natural abundance' . . . . . . 500 . . mM . . . . 18562 1 4 'VvMARTX MLD' '[U-99% 13C; U-99% 15N]' . . 1 $MLD_VvDUF5 . . 1 . . mM . . . . 18562 1 5 Tris-HCl 'natural abundance' . . . . . . 50 . . mM . . . . 18562 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18562 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18562 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 18562 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.5 . M 18562 1 pH 7.4 . pH 18562 1 pressure 1 . atm 18562 1 temperature 303 . K 18562 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18562 _Software.ID 1 _Software.Name VNMRJ _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18562 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18562 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18562 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18562 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18562 2 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 18562 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18562 _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 . . . 18562 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 18562 _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 . . . . . . . . . . . . . . . . 18562 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18562 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18562 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18562 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18562 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18562 1 7 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18562 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18562 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18562 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18562 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 18562 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18562 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18562 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18562 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 18562 _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' . . . 18562 1 2 '3D CBCA(CO)NH' . . . 18562 1 3 '3D C(CO)NH' . . . 18562 1 4 '3D HNCO' . . . 18562 1 5 '3D HNCACB' . . . 18562 1 6 '3D HCCH-TOCSY' . . . 18562 1 7 '3D HNHA' . . . 18562 1 8 '3D 1H-15N NOESY' . . . 18562 1 9 '3D 1H-15N TOCSY' . . . 18562 1 10 '3D 1H-13C NOESY' . . . 18562 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 3 3 GLN C C 13 175.163 0.013 . . . . . . 3 GLN C . 18562 1 2 . 1 1 3 3 GLN CA C 13 56.727 0.011 . . . . . . 3 GLN CA . 18562 1 3 . 1 1 3 3 GLN CB C 13 30.126 0.000 . . . . . . 3 GLN CB . 18562 1 4 . 1 1 3 3 GLN CG C 13 34.126 0.000 . . . . . . 3 GLN CG . 18562 1 5 . 1 1 4 4 ILE H H 1 7.804 0.011 . . . . . . 4 ILE HN . 18562 1 6 . 1 1 4 4 ILE HA H 1 4.125 0.015 . . . . . . 4 ILE HA . 18562 1 7 . 1 1 4 4 ILE HB H 1 1.468 0.017 . . . . . . 4 ILE HB . 18562 1 8 . 1 1 4 4 ILE HG12 H 1 2.076 0.000 . . . . . . 4 ILE HG12 . 18562 1 9 . 1 1 4 4 ILE HG13 H 1 1.948 0.000 . . . . . . 4 ILE HG13 . 18562 1 10 . 1 1 4 4 ILE HG21 H 1 0.900 0.013 . . . . . . 4 ILE HG2 . 18562 1 11 . 1 1 4 4 ILE HG22 H 1 0.900 0.013 . . . . . . 4 ILE HG2 . 18562 1 12 . 1 1 4 4 ILE HG23 H 1 0.900 0.013 . . . . . . 4 ILE HG2 . 18562 1 13 . 1 1 4 4 ILE HD11 H 1 0.596 0.011 . . . . . . 4 ILE HD1 . 18562 1 14 . 1 1 4 4 ILE HD12 H 1 0.596 0.011 . . . . . . 4 ILE HD1 . 18562 1 15 . 1 1 4 4 ILE HD13 H 1 0.596 0.011 . . . . . . 4 ILE HD1 . 18562 1 16 . 1 1 4 4 ILE C C 13 176.827 0.011 . . . . . . 4 ILE C . 18562 1 17 . 1 1 4 4 ILE CA C 13 59.740 0.142 . . . . . . 4 ILE CA . 18562 1 18 . 1 1 4 4 ILE CB C 13 40.841 0.105 . . . . . . 4 ILE CB . 18562 1 19 . 1 1 4 4 ILE CG1 C 13 27.472 0.000 . . . . . . 4 ILE CG1 . 18562 1 20 . 1 1 4 4 ILE CG2 C 13 17.719 0.000 . . . . . . 4 ILE CG2 . 18562 1 21 . 1 1 4 4 ILE CD1 C 13 13.609 0.085 . . . . . . 4 ILE CD1 . 18562 1 22 . 1 1 4 4 ILE N N 15 119.228 0.062 . . . . . . 4 ILE N . 18562 1 23 . 1 1 5 5 PHE H H 1 8.629 0.007 . . . . . . 5 PHE HN . 18562 1 24 . 1 1 5 5 PHE HA H 1 5.038 0.013 . . . . . . 5 PHE HA . 18562 1 25 . 1 1 5 5 PHE HB2 H 1 2.883 0.015 . . . . . . 5 PHE HB . 18562 1 26 . 1 1 5 5 PHE HB3 H 1 2.883 0.015 . . . . . . 5 PHE HB . 18562 1 27 . 1 1 5 5 PHE HD2 H 1 3.573 0.024 . . . . . . 5 PHE HD2 . 18562 1 28 . 1 1 5 5 PHE C C 13 177.676 0.023 . . . . . . 5 PHE C . 18562 1 29 . 1 1 5 5 PHE CA C 13 56.809 0.120 . . . . . . 5 PHE CA . 18562 1 30 . 1 1 5 5 PHE CB C 13 40.256 0.048 . . . . . . 5 PHE CB . 18562 1 31 . 1 1 5 5 PHE N N 15 126.152 0.084 . . . . . . 5 PHE N . 18562 1 32 . 1 1 6 6 THR H H 1 8.817 0.007 . . . . . . 6 THR HN . 18562 1 33 . 1 1 6 6 THR HA H 1 4.188 0.014 . . . . . . 6 THR HA . 18562 1 34 . 1 1 6 6 THR HB H 1 4.594 0.037 . . . . . . 6 THR HB . 18562 1 35 . 1 1 6 6 THR HG21 H 1 1.182 0.000 . . . . . . 6 THR HG2 . 18562 1 36 . 1 1 6 6 THR HG22 H 1 1.182 0.000 . . . . . . 6 THR HG2 . 18562 1 37 . 1 1 6 6 THR HG23 H 1 1.182 0.000 . . . . . . 6 THR HG2 . 18562 1 38 . 1 1 6 6 THR C C 13 175.589 0.013 . . . . . . 6 THR C . 18562 1 39 . 1 1 6 6 THR CA C 13 60.700 0.097 . . . . . . 6 THR CA . 18562 1 40 . 1 1 6 6 THR CB C 13 70.983 0.139 . . . . . . 6 THR CB . 18562 1 41 . 1 1 6 6 THR CG2 C 13 22.072 0.000 . . . . . . 6 THR CG . 18562 1 42 . 1 1 6 6 THR N N 15 110.903 0.058 . . . . . . 6 THR N . 18562 1 43 . 1 1 7 7 VAL H H 1 8.933 0.008 . . . . . . 7 VAL HN . 18562 1 44 . 1 1 7 7 VAL HA H 1 3.566 0.014 . . . . . . 7 VAL HA . 18562 1 45 . 1 1 7 7 VAL HB H 1 2.067 0.014 . . . . . . 7 VAL HB . 18562 1 46 . 1 1 7 7 VAL HG11 H 1 1.176 0.014 . . . . . . 7 VAL HG1 . 18562 1 47 . 1 1 7 7 VAL HG12 H 1 1.176 0.014 . . . . . . 7 VAL HG1 . 18562 1 48 . 1 1 7 7 VAL HG13 H 1 1.176 0.014 . . . . . . 7 VAL HG1 . 18562 1 49 . 1 1 7 7 VAL HG21 H 1 0.991 0.009 . . . . . . 7 VAL HG2 . 18562 1 50 . 1 1 7 7 VAL HG22 H 1 0.991 0.009 . . . . . . 7 VAL HG2 . 18562 1 51 . 1 1 7 7 VAL HG23 H 1 0.991 0.009 . . . . . . 7 VAL HG2 . 18562 1 52 . 1 1 7 7 VAL C C 13 177.665 0.013 . . . . . . 7 VAL C . 18562 1 53 . 1 1 7 7 VAL CA C 13 67.715 0.139 . . . . . . 7 VAL CA . 18562 1 54 . 1 1 7 7 VAL CB C 13 31.661 0.132 . . . . . . 7 VAL CB . 18562 1 55 . 1 1 7 7 VAL CG1 C 13 24.006 0.000 . . . . . . 7 VAL CG1 . 18562 1 56 . 1 1 7 7 VAL CG2 C 13 21.773 0.010 . . . . . . 7 VAL CG2 . 18562 1 57 . 1 1 7 7 VAL N N 15 120.903 0.053 . . . . . . 7 VAL N . 18562 1 58 . 1 1 8 8 GLN H H 1 8.333 0.010 . . . . . . 8 GLN HN . 18562 1 59 . 1 1 8 8 GLN HA H 1 3.905 0.012 . . . . . . 8 GLN HA . 18562 1 60 . 1 1 8 8 GLN HB2 H 1 2.115 0.014 . . . . . . 8 GLN HB2 . 18562 1 61 . 1 1 8 8 GLN HB3 H 1 1.955 0.012 . . . . . . 8 GLN HB3 . 18562 1 62 . 1 1 8 8 GLN HG2 H 1 2.434 0.012 . . . . . . 8 GLN HG2 . 18562 1 63 . 1 1 8 8 GLN C C 13 178.506 0.030 . . . . . . 8 GLN C . 18562 1 64 . 1 1 8 8 GLN CA C 13 59.354 0.171 . . . . . . 8 GLN CA . 18562 1 65 . 1 1 8 8 GLN CB C 13 28.106 0.120 . . . . . . 8 GLN CB . 18562 1 66 . 1 1 8 8 GLN CG C 13 33.760 0.079 . . . . . . 8 GLN CG . 18562 1 67 . 1 1 8 8 GLN N N 15 117.411 0.051 . . . . . . 8 GLN N . 18562 1 68 . 1 1 9 9 GLU H H 1 7.734 0.013 . . . . . . 9 GLU HN . 18562 1 69 . 1 1 9 9 GLU HA H 1 3.918 0.015 . . . . . . 9 GLU HA . 18562 1 70 . 1 1 9 9 GLU HB2 H 1 2.312 0.012 . . . . . . 9 GLU HB2 . 18562 1 71 . 1 1 9 9 GLU HB3 H 1 2.068 0.009 . . . . . . 9 GLU HB3 . 18562 1 72 . 1 1 9 9 GLU HG2 H 1 2.619 0.017 . . . . . . 9 GLU HG2 . 18562 1 73 . 1 1 9 9 GLU HG3 H 1 2.537 0.015 . . . . . . 9 GLU HG3 . 18562 1 74 . 1 1 9 9 GLU C C 13 179.499 0.003 . . . . . . 9 GLU C . 18562 1 75 . 1 1 9 9 GLU CA C 13 58.876 0.069 . . . . . . 9 GLU CA . 18562 1 76 . 1 1 9 9 GLU CB C 13 30.151 0.165 . . . . . . 9 GLU CB . 18562 1 77 . 1 1 9 9 GLU CG C 13 37.265 0.000 . . . . . . 9 GLU CG . 18562 1 78 . 1 1 9 9 GLU N N 15 118.838 0.068 . . . . . . 9 GLU N . 18562 1 79 . 1 1 10 10 LEU H H 1 8.395 0.012 . . . . . . 10 LEU HN . 18562 1 80 . 1 1 10 10 LEU HA H 1 3.694 0.012 . . . . . . 10 LEU HA . 18562 1 81 . 1 1 10 10 LEU HB2 H 1 1.844 0.021 . . . . . . 10 LEU HB2 . 18562 1 82 . 1 1 10 10 LEU HB3 H 1 1.324 0.013 . . . . . . 10 LEU HB3 . 18562 1 83 . 1 1 10 10 LEU HD11 H 1 0.850 0.015 . . . . . . 10 LEU HD1 . 18562 1 84 . 1 1 10 10 LEU HD12 H 1 0.850 0.015 . . . . . . 10 LEU HD1 . 18562 1 85 . 1 1 10 10 LEU HD13 H 1 0.850 0.015 . . . . . . 10 LEU HD1 . 18562 1 86 . 1 1 10 10 LEU HD21 H 1 0.824 0.017 . . . . . . 10 LEU HD2 . 18562 1 87 . 1 1 10 10 LEU HD22 H 1 0.824 0.017 . . . . . . 10 LEU HD2 . 18562 1 88 . 1 1 10 10 LEU HD23 H 1 0.824 0.017 . . . . . . 10 LEU HD2 . 18562 1 89 . 1 1 10 10 LEU C C 13 178.459 0.030 . . . . . . 10 LEU C . 18562 1 90 . 1 1 10 10 LEU CA C 13 57.728 0.167 . . . . . . 10 LEU CA . 18562 1 91 . 1 1 10 10 LEU CB C 13 41.356 0.101 . . . . . . 10 LEU CB . 18562 1 92 . 1 1 10 10 LEU CG C 13 25.935 0.000 . . . . . . 10 LEU CG . 18562 1 93 . 1 1 10 10 LEU CD1 C 13 24.069 0.035 . . . . . . 10 LEU CD1 . 18562 1 94 . 1 1 10 10 LEU N N 15 120.832 0.068 . . . . . . 10 LEU N . 18562 1 95 . 1 1 11 11 LYS H H 1 8.637 0.009 . . . . . . 11 LYS HN . 18562 1 96 . 1 1 11 11 LYS HA H 1 3.900 0.001 . . . . . . 11 LYS HA . 18562 1 97 . 1 1 11 11 LYS C C 13 179.389 0.019 . . . . . . 11 LYS C . 18562 1 98 . 1 1 11 11 LYS CA C 13 60.200 0.086 . . . . . . 11 LYS CA . 18562 1 99 . 1 1 11 11 LYS CB C 13 32.582 0.047 . . . . . . 11 LYS CB . 18562 1 100 . 1 1 11 11 LYS CG C 13 26.472 0.000 . . . . . . 11 LYS CG . 18562 1 101 . 1 1 11 11 LYS CD C 13 29.709 0.000 . . . . . . 11 LYS CD . 18562 1 102 . 1 1 11 11 LYS CE C 13 42.097 0.000 . . . . . . 11 LYS CE . 18562 1 103 . 1 1 11 11 LYS N N 15 118.373 0.039 . . . . . . 11 LYS N . 18562 1 104 . 1 1 12 12 GLU H H 1 7.723 0.020 . . . . . . 12 GLU HN . 18562 1 105 . 1 1 12 12 GLU HA H 1 4.033 0.010 . . . . . . 12 GLU HA . 18562 1 106 . 1 1 12 12 GLU HG2 H 1 2.361 0.011 . . . . . . 12 GLU HG2 . 18562 1 107 . 1 1 12 12 GLU HG3 H 1 2.081 0.003 . . . . . . 12 GLU HG3 . 18562 1 108 . 1 1 12 12 GLU C C 13 179.067 0.018 . . . . . . 12 GLU C . 18562 1 109 . 1 1 12 12 GLU CA C 13 58.982 0.049 . . . . . . 12 GLU CA . 18562 1 110 . 1 1 12 12 GLU CB C 13 29.593 0.017 . . . . . . 12 GLU CB . 18562 1 111 . 1 1 12 12 GLU CG C 13 36.139 0.067 . . . . . . 12 GLU CG . 18562 1 112 . 1 1 12 12 GLU N N 15 117.060 0.040 . . . . . . 12 GLU N . 18562 1 113 . 1 1 13 13 ARG H H 1 7.686 0.019 . . . . . . 13 ARG HN . 18562 1 114 . 1 1 13 13 ARG HA H 1 4.132 0.004 . . . . . . 13 ARG HA . 18562 1 115 . 1 1 13 13 ARG HB2 H 1 1.859 0.009 . . . . . . 13 ARG HB2 . 18562 1 116 . 1 1 13 13 ARG HB3 H 1 1.643 0.007 . . . . . . 13 ARG HB3 . 18562 1 117 . 1 1 13 13 ARG HD2 H 1 3.006 0.000 . . . . . . 13 ARG HD2 . 18562 1 118 . 1 1 13 13 ARG HD3 H 1 2.739 0.003 . . . . . . 13 ARG HD3 . 18562 1 119 . 1 1 13 13 ARG C C 13 178.445 0.011 . . . . . . 13 ARG C . 18562 1 120 . 1 1 13 13 ARG CA C 13 57.841 0.036 . . . . . . 13 ARG CA . 18562 1 121 . 1 1 13 13 ARG CB C 13 29.834 0.065 . . . . . . 13 ARG CB . 18562 1 122 . 1 1 13 13 ARG CG C 13 27.505 0.000 . . . . . . 13 ARG CG . 18562 1 123 . 1 1 13 13 ARG CD C 13 42.436 0.108 . . . . . . 13 ARG CD . 18562 1 124 . 1 1 13 13 ARG N N 15 118.382 0.047 . . . . . . 13 ARG N . 18562 1 125 . 1 1 14 14 ALA H H 1 8.487 0.007 . . . . . . 14 ALA HN . 18562 1 126 . 1 1 14 14 ALA HA H 1 4.285 0.012 . . . . . . 14 ALA HA . 18562 1 127 . 1 1 14 14 ALA HB1 H 1 1.383 0.015 . . . . . . 14 ALA HB . 18562 1 128 . 1 1 14 14 ALA HB2 H 1 1.383 0.015 . . . . . . 14 ALA HB . 18562 1 129 . 1 1 14 14 ALA HB3 H 1 1.383 0.015 . . . . . . 14 ALA HB . 18562 1 130 . 1 1 14 14 ALA C C 13 178.028 0.047 . . . . . . 14 ALA C . 18562 1 131 . 1 1 14 14 ALA CA C 13 53.012 0.138 . . . . . . 14 ALA CA . 18562 1 132 . 1 1 14 14 ALA CB C 13 18.127 0.040 . . . . . . 14 ALA CB . 18562 1 133 . 1 1 14 14 ALA N N 15 121.633 0.072 . . . . . . 14 ALA N . 18562 1 134 . 1 1 15 15 LYS H H 1 7.391 0.019 . . . . . . 15 LYS HN . 18562 1 135 . 1 1 15 15 LYS HA H 1 4.095 0.010 . . . . . . 15 LYS HA . 18562 1 136 . 1 1 15 15 LYS HB2 H 1 1.943 0.004 . . . . . . 15 LYS HB2 . 18562 1 137 . 1 1 15 15 LYS HB3 H 1 1.718 0.012 . . . . . . 15 LYS HB3 . 18562 1 138 . 1 1 15 15 LYS HG2 H 1 1.470 0.021 . . . . . . 15 LYS HG2 . 18562 1 139 . 1 1 15 15 LYS HE2 H 1 3.008 0.005 . . . . . . 15 LYS HE2 . 18562 1 140 . 1 1 15 15 LYS C C 13 176.479 0.036 . . . . . . 15 LYS C . 18562 1 141 . 1 1 15 15 LYS CA C 13 57.972 0.075 . . . . . . 15 LYS CA . 18562 1 142 . 1 1 15 15 LYS CB C 13 32.260 0.059 . . . . . . 15 LYS CB . 18562 1 143 . 1 1 15 15 LYS CG C 13 24.780 0.064 . . . . . . 15 LYS CG . 18562 1 144 . 1 1 15 15 LYS CD C 13 29.386 0.000 . . . . . . 15 LYS CD . 18562 1 145 . 1 1 15 15 LYS CE C 13 42.079 0.065 . . . . . . 15 LYS CE . 18562 1 146 . 1 1 15 15 LYS N N 15 117.934 0.013 . . . . . . 15 LYS N . 18562 1 147 . 1 1 16 16 VAL H H 1 7.514 0.009 . . . . . . 16 VAL HN . 18562 1 148 . 1 1 16 16 VAL HA H 1 3.967 0.007 . . . . . . 16 VAL HA . 18562 1 149 . 1 1 16 16 VAL HB H 1 1.904 0.012 . . . . . . 16 VAL HB . 18562 1 150 . 1 1 16 16 VAL HG21 H 1 0.800 0.007 . . . . . . 16 VAL HG2 . 18562 1 151 . 1 1 16 16 VAL HG22 H 1 0.800 0.007 . . . . . . 16 VAL HG2 . 18562 1 152 . 1 1 16 16 VAL HG23 H 1 0.800 0.007 . . . . . . 16 VAL HG2 . 18562 1 153 . 1 1 16 16 VAL C C 13 175.872 0.000 . . . . . . 16 VAL C . 18562 1 154 . 1 1 16 16 VAL CA C 13 62.959 0.000 . . . . . . 16 VAL CA . 18562 1 155 . 1 1 16 16 VAL CB C 13 32.983 0.188 . . . . . . 16 VAL CB . 18562 1 156 . 1 1 16 16 VAL CG1 C 13 21.171 0.000 . . . . . . 16 VAL CG1 . 18562 1 157 . 1 1 16 16 VAL N N 15 119.437 0.127 . . . . . . 16 VAL N . 18562 1 158 . 1 1 17 17 PHE C C 13 177.414 0.000 . . . . . . 17 PHE C . 18562 1 159 . 1 1 17 17 PHE CA C 13 55.217 0.000 . . . . . . 17 PHE CA . 18562 1 160 . 1 1 17 17 PHE CB C 13 42.387 0.000 . . . . . . 17 PHE CB . 18562 1 161 . 1 1 18 18 ALA H H 1 8.424 0.006 . . . . . . 18 ALA HN . 18562 1 162 . 1 1 18 18 ALA HA H 1 4.086 0.015 . . . . . . 18 ALA HA . 18562 1 163 . 1 1 18 18 ALA HB1 H 1 1.347 0.022 . . . . . . 18 ALA HB . 18562 1 164 . 1 1 18 18 ALA HB2 H 1 1.347 0.022 . . . . . . 18 ALA HB . 18562 1 165 . 1 1 18 18 ALA HB3 H 1 1.347 0.022 . . . . . . 18 ALA HB . 18562 1 166 . 1 1 18 18 ALA C C 13 176.519 0.125 . . . . . . 18 ALA C . 18562 1 167 . 1 1 18 18 ALA CA C 13 53.099 0.179 . . . . . . 18 ALA CA . 18562 1 168 . 1 1 18 18 ALA CB C 13 18.345 0.031 . . . . . . 18 ALA CB . 18562 1 169 . 1 1 18 18 ALA N N 15 119.679 0.030 . . . . . . 18 ALA N . 18562 1 170 . 1 1 19 19 LYS H H 1 7.818 0.005 . . . . . . 19 LYS HN . 18562 1 171 . 1 1 19 19 LYS HA H 1 4.961 0.002 . . . . . . 19 LYS HA . 18562 1 172 . 1 1 19 19 LYS HB2 H 1 1.848 0.001 . . . . . . 19 LYS HB2 . 18562 1 173 . 1 1 19 19 LYS HB3 H 1 1.660 0.002 . . . . . . 19 LYS HB3 . 18562 1 174 . 1 1 19 19 LYS HG2 H 1 1.729 0.000 . . . . . . 19 LYS HG1 . 18562 1 175 . 1 1 19 19 LYS HE3 H 1 3.100 0.001 . . . . . . 19 LYS HE3 . 18562 1 176 . 1 1 19 19 LYS C C 13 174.251 0.000 . . . . . . 19 LYS C . 18562 1 177 . 1 1 19 19 LYS CA C 13 54.004 0.000 . . . . . . 19 LYS CA . 18562 1 178 . 1 1 19 19 LYS CB C 13 33.659 0.066 . . . . . . 19 LYS CB . 18562 1 179 . 1 1 19 19 LYS N N 15 120.223 0.031 . . . . . . 19 LYS N . 18562 1 180 . 1 1 20 20 PRO HA H 1 4.497 0.011 . . . . . . 20 PRO HA . 18562 1 181 . 1 1 20 20 PRO HB2 H 1 2.350 0.017 . . . . . . 20 PRO HB2 . 18562 1 182 . 1 1 20 20 PRO HB3 H 1 1.850 0.018 . . . . . . 20 PRO HB3 . 18562 1 183 . 1 1 20 20 PRO HG2 H 1 2.043 0.025 . . . . . . 20 PRO HG2 . 18562 1 184 . 1 1 20 20 PRO HG3 H 1 2.039 0.021 . . . . . . 20 PRO HG3 . 18562 1 185 . 1 1 20 20 PRO HD2 H 1 3.909 0.017 . . . . . . 20 PRO HD2 . 18562 1 186 . 1 1 20 20 PRO HD3 H 1 3.677 0.015 . . . . . . 20 PRO HD3 . 18562 1 187 . 1 1 20 20 PRO C C 13 176.940 0.000 . . . . . . 20 PRO C . 18562 1 188 . 1 1 20 20 PRO CA C 13 62.809 0.071 . . . . . . 20 PRO CA . 18562 1 189 . 1 1 20 20 PRO CB C 13 32.276 0.062 . . . . . . 20 PRO CB . 18562 1 190 . 1 1 20 20 PRO CG C 13 27.554 0.107 . . . . . . 20 PRO CG . 18562 1 191 . 1 1 20 20 PRO CD C 13 50.958 0.162 . . . . . . 20 PRO CD . 18562 1 192 . 1 1 21 21 ILE H H 1 8.561 0.007 . . . . . . 21 ILE HN . 18562 1 193 . 1 1 21 21 ILE HA H 1 3.982 0.001 . . . . . . 21 ILE HA . 18562 1 194 . 1 1 21 21 ILE HB H 1 1.931 0.014 . . . . . . 21 ILE HB . 18562 1 195 . 1 1 21 21 ILE HG21 H 1 0.968 0.002 . . . . . . 21 ILE HG2 . 18562 1 196 . 1 1 21 21 ILE HG22 H 1 0.968 0.002 . . . . . . 21 ILE HG2 . 18562 1 197 . 1 1 21 21 ILE HG23 H 1 0.968 0.002 . . . . . . 21 ILE HG2 . 18562 1 198 . 1 1 21 21 ILE C C 13 176.618 0.024 . . . . . . 21 ILE C . 18562 1 199 . 1 1 21 21 ILE CA C 13 62.644 0.064 . . . . . . 21 ILE CA . 18562 1 200 . 1 1 21 21 ILE CB C 13 38.020 0.073 . . . . . . 21 ILE CB . 18562 1 201 . 1 1 21 21 ILE CG1 C 13 27.680 0.000 . . . . . . 21 ILE CG1 . 18562 1 202 . 1 1 21 21 ILE CG2 C 13 17.776 0.035 . . . . . . 21 ILE CG2 . 18562 1 203 . 1 1 21 21 ILE CD1 C 13 12.659 0.000 . . . . . . 21 ILE CD1 . 18562 1 204 . 1 1 21 21 ILE N N 15 122.596 0.031 . . . . . . 21 ILE N . 18562 1 205 . 1 1 22 22 GLY H H 1 8.323 0.007 . . . . . . 22 GLY HN . 18562 1 206 . 1 1 22 22 GLY HA2 H 1 4.382 0.020 . . . . . . 22 GLY HA2 . 18562 1 207 . 1 1 22 22 GLY HA3 H 1 4.160 0.016 . . . . . . 22 GLY HA3 . 18562 1 208 . 1 1 22 22 GLY C C 13 177.690 0.030 . . . . . . 22 GLY C . 18562 1 209 . 1 1 22 22 GLY CA C 13 44.484 0.114 . . . . . . 22 GLY CA . 18562 1 210 . 1 1 22 22 GLY N N 15 116.284 0.142 . . . . . . 22 GLY N . 18562 1 211 . 1 1 23 23 ALA H H 1 8.202 0.008 . . . . . . 23 ALA HN . 18562 1 212 . 1 1 23 23 ALA HA H 1 4.341 0.003 . . . . . . 23 ALA HA . 18562 1 213 . 1 1 23 23 ALA HB1 H 1 1.346 0.029 . . . . . . 23 ALA HB . 18562 1 214 . 1 1 23 23 ALA HB2 H 1 1.346 0.029 . . . . . . 23 ALA HB . 18562 1 215 . 1 1 23 23 ALA HB3 H 1 1.346 0.029 . . . . . . 23 ALA HB . 18562 1 216 . 1 1 23 23 ALA C C 13 175.944 0.000 . . . . . . 23 ALA C . 18562 1 217 . 1 1 23 23 ALA CA C 13 52.644 0.079 . . . . . . 23 ALA CA . 18562 1 218 . 1 1 23 23 ALA CB C 13 20.323 0.025 . . . . . . 23 ALA CB . 18562 1 219 . 1 1 23 23 ALA N N 15 121.461 0.053 . . . . . . 23 ALA N . 18562 1 220 . 1 1 24 24 SER H H 1 8.084 0.004 . . . . . . 24 SER HN . 18562 1 221 . 1 1 24 24 SER HA H 1 4.347 0.003 . . . . . . 24 SER HA . 18562 1 222 . 1 1 24 24 SER C C 13 177.220 0.000 . . . . . . 24 SER C . 18562 1 223 . 1 1 24 24 SER CA C 13 62.611 0.000 . . . . . . 24 SER CA . 18562 1 224 . 1 1 24 24 SER CB C 13 61.666 0.000 . . . . . . 24 SER CB . 18562 1 225 . 1 1 24 24 SER N N 15 119.607 0.104 . . . . . . 24 SER N . 18562 1 226 . 1 1 25 25 TYR H H 1 8.620 0.012 . . . . . . 25 TYR HN . 18562 1 227 . 1 1 25 25 TYR HA H 1 4.348 0.000 . . . . . . 25 TYR HA . 18562 1 228 . 1 1 25 25 TYR HB2 H 1 3.152 0.013 . . . . . . 25 TYR HB2 . 18562 1 229 . 1 1 25 25 TYR C C 13 177.635 0.033 . . . . . . 25 TYR C . 18562 1 230 . 1 1 25 25 TYR CA C 13 60.215 0.124 . . . . . . 25 TYR CA . 18562 1 231 . 1 1 25 25 TYR CB C 13 38.432 0.043 . . . . . . 25 TYR CB . 18562 1 232 . 1 1 25 25 TYR N N 15 124.703 0.110 . . . . . . 25 TYR N . 18562 1 233 . 1 1 26 26 GLN H H 1 8.695 0.008 . . . . . . 26 GLN HN . 18562 1 234 . 1 1 26 26 GLN HA H 1 4.359 0.000 . . . . . . 26 GLN HA . 18562 1 235 . 1 1 26 26 GLN C C 13 177.543 0.015 . . . . . . 26 GLN C . 18562 1 236 . 1 1 26 26 GLN CA C 13 58.625 0.092 . . . . . . 26 GLN CA . 18562 1 237 . 1 1 26 26 GLN CB C 13 28.270 0.009 . . . . . . 26 GLN CB . 18562 1 238 . 1 1 26 26 GLN CG C 13 33.396 0.000 . . . . . . 26 GLN CG . 18562 1 239 . 1 1 26 26 GLN N N 15 119.661 0.092 . . . . . . 26 GLN N . 18562 1 240 . 1 1 27 27 GLY H H 1 8.132 0.013 . . . . . . 27 GLY HN . 18562 1 241 . 1 1 27 27 GLY HA2 H 1 3.999 0.000 . . . . . . 27 GLY HA2 . 18562 1 242 . 1 1 27 27 GLY C C 13 177.123 0.010 . . . . . . 27 GLY C . 18562 1 243 . 1 1 27 27 GLY CA C 13 47.090 0.047 . . . . . . 27 GLY CA . 18562 1 244 . 1 1 27 27 GLY N N 15 104.550 0.048 . . . . . . 27 GLY N . 18562 1 245 . 1 1 28 28 ILE H H 1 7.453 0.013 . . . . . . 28 ILE HN . 18562 1 246 . 1 1 28 28 ILE HA H 1 3.439 0.017 . . . . . . 28 ILE HA . 18562 1 247 . 1 1 28 28 ILE HB H 1 1.926 0.015 . . . . . . 28 ILE HB . 18562 1 248 . 1 1 28 28 ILE HG12 H 1 0.697 0.025 . . . . . . 28 ILE HG12 . 18562 1 249 . 1 1 28 28 ILE HG13 H 1 0.577 0.016 . . . . . . 28 ILE HG13 . 18562 1 250 . 1 1 28 28 ILE C C 13 176.691 0.026 . . . . . . 28 ILE C . 18562 1 251 . 1 1 28 28 ILE CA C 13 66.089 0.138 . . . . . . 28 ILE CA . 18562 1 252 . 1 1 28 28 ILE CB C 13 37.676 0.059 . . . . . . 28 ILE CB . 18562 1 253 . 1 1 28 28 ILE CG1 C 13 30.638 0.000 . . . . . . 28 ILE CG1 . 18562 1 254 . 1 1 28 28 ILE CG2 C 13 16.549 0.000 . . . . . . 28 ILE CG2 . 18562 1 255 . 1 1 28 28 ILE CD1 C 13 14.566 0.000 . . . . . . 28 ILE CD1 . 18562 1 256 . 1 1 28 28 ILE N N 15 123.776 0.079 . . . . . . 28 ILE N . 18562 1 257 . 1 1 29 29 LEU H H 1 7.669 0.011 . . . . . . 29 LEU HN . 18562 1 258 . 1 1 29 29 LEU HA H 1 3.819 0.014 . . . . . . 29 LEU HA . 18562 1 259 . 1 1 29 29 LEU HB2 H 1 2.055 0.011 . . . . . . 29 LEU HB2 . 18562 1 260 . 1 1 29 29 LEU HB3 H 1 1.917 0.001 . . . . . . 29 LEU HB3 . 18562 1 261 . 1 1 29 29 LEU HG H 1 1.410 0.013 . . . . . . 29 LEU HG . 18562 1 262 . 1 1 29 29 LEU HD11 H 1 0.758 0.045 . . . . . . 29 LEU HD1 . 18562 1 263 . 1 1 29 29 LEU HD12 H 1 0.758 0.045 . . . . . . 29 LEU HD1 . 18562 1 264 . 1 1 29 29 LEU HD13 H 1 0.758 0.045 . . . . . . 29 LEU HD1 . 18562 1 265 . 1 1 29 29 LEU HD21 H 1 0.649 0.007 . . . . . . 29 LEU HD2 . 18562 1 266 . 1 1 29 29 LEU HD22 H 1 0.649 0.007 . . . . . . 29 LEU HD2 . 18562 1 267 . 1 1 29 29 LEU HD23 H 1 0.649 0.007 . . . . . . 29 LEU HD2 . 18562 1 268 . 1 1 29 29 LEU C C 13 179.192 0.012 . . . . . . 29 LEU C . 18562 1 269 . 1 1 29 29 LEU CA C 13 58.274 0.136 . . . . . . 29 LEU CA . 18562 1 270 . 1 1 29 29 LEU CB C 13 40.436 0.042 . . . . . . 29 LEU CB . 18562 1 271 . 1 1 29 29 LEU CG C 13 25.660 0.000 . . . . . . 29 LEU CG . 18562 1 272 . 1 1 29 29 LEU CD1 C 13 23.380 0.144 . . . . . . 29 LEU CD1 . 18562 1 273 . 1 1 29 29 LEU N N 15 120.103 0.071 . . . . . . 29 LEU N . 18562 1 274 . 1 1 30 30 ASP H H 1 8.822 0.010 . . . . . . 30 ASP HN . 18562 1 275 . 1 1 30 30 ASP HA H 1 4.381 0.016 . . . . . . 30 ASP HA . 18562 1 276 . 1 1 30 30 ASP HB2 H 1 2.762 0.011 . . . . . . 30 ASP HB2 . 18562 1 277 . 1 1 30 30 ASP C C 13 179.006 0.014 . . . . . . 30 ASP C . 18562 1 278 . 1 1 30 30 ASP CA C 13 57.224 0.086 . . . . . . 30 ASP CA . 18562 1 279 . 1 1 30 30 ASP CB C 13 40.079 0.070 . . . . . . 30 ASP CB . 18562 1 280 . 1 1 30 30 ASP N N 15 118.857 0.061 . . . . . . 30 ASP N . 18562 1 281 . 1 1 31 31 GLN H H 1 7.915 0.010 . . . . . . 31 GLN HN . 18562 1 282 . 1 1 31 31 GLN HA H 1 4.014 0.011 . . . . . . 31 GLN HA . 18562 1 283 . 1 1 31 31 GLN HB2 H 1 2.100 0.039 . . . . . . 31 GLN HB2 . 18562 1 284 . 1 1 31 31 GLN HG2 H 1 2.300 0.100 . . . . . . 31 GLN HG2 . 18562 1 285 . 1 1 31 31 GLN C C 13 177.252 0.024 . . . . . . 31 GLN C . 18562 1 286 . 1 1 31 31 GLN CA C 13 57.401 0.018 . . . . . . 31 GLN CA . 18562 1 287 . 1 1 31 31 GLN CB C 13 27.191 0.031 . . . . . . 31 GLN CB . 18562 1 288 . 1 1 31 31 GLN CG C 13 32.747 0.000 . . . . . . 31 GLN CG . 18562 1 289 . 1 1 31 31 GLN N N 15 121.511 0.077 . . . . . . 31 GLN N . 18562 1 290 . 1 1 32 32 LEU H H 1 8.861 0.009 . . . . . . 32 LEU HN . 18562 1 291 . 1 1 32 32 LEU HA H 1 4.106 0.008 . . . . . . 32 LEU HA . 18562 1 292 . 1 1 32 32 LEU HB2 H 1 2.340 0.009 . . . . . . 32 LEU HB2 . 18562 1 293 . 1 1 32 32 LEU HB3 H 1 1.724 0.006 . . . . . . 32 LEU HB3 . 18562 1 294 . 1 1 32 32 LEU HG H 1 1.398 0.008 . . . . . . 32 LEU HG . 18562 1 295 . 1 1 32 32 LEU HD11 H 1 1.119 0.003 . . . . . . 32 LEU HD1 . 18562 1 296 . 1 1 32 32 LEU HD12 H 1 1.119 0.003 . . . . . . 32 LEU HD1 . 18562 1 297 . 1 1 32 32 LEU HD13 H 1 1.119 0.003 . . . . . . 32 LEU HD1 . 18562 1 298 . 1 1 32 32 LEU HD21 H 1 0.972 0.006 . . . . . . 32 LEU HD2 . 18562 1 299 . 1 1 32 32 LEU HD22 H 1 0.972 0.006 . . . . . . 32 LEU HD2 . 18562 1 300 . 1 1 32 32 LEU HD23 H 1 0.972 0.006 . . . . . . 32 LEU HD2 . 18562 1 301 . 1 1 32 32 LEU C C 13 178.116 0.022 . . . . . . 32 LEU C . 18562 1 302 . 1 1 32 32 LEU CA C 13 57.780 0.045 . . . . . . 32 LEU CA . 18562 1 303 . 1 1 32 32 LEU CB C 13 42.084 0.042 . . . . . . 32 LEU CB . 18562 1 304 . 1 1 32 32 LEU CG C 13 26.438 0.000 . . . . . . 32 LEU CG . 18562 1 305 . 1 1 32 32 LEU CD1 C 13 22.835 0.026 . . . . . . 32 LEU CD1 . 18562 1 306 . 1 1 32 32 LEU N N 15 122.799 0.057 . . . . . . 32 LEU N . 18562 1 307 . 1 1 33 33 ASP H H 1 7.909 0.016 . . . . . . 33 ASP HN . 18562 1 308 . 1 1 33 33 ASP HA H 1 4.620 0.006 . . . . . . 33 ASP HA . 18562 1 309 . 1 1 33 33 ASP HB2 H 1 2.820 0.010 . . . . . . 33 ASP HB2 . 18562 1 310 . 1 1 33 33 ASP HD2 H 1 1.160 0.000 . . . . . . 33 ASP HD2 . 18562 1 311 . 1 1 33 33 ASP C C 13 178.804 0.019 . . . . . . 33 ASP C . 18562 1 312 . 1 1 33 33 ASP CA C 13 57.793 0.115 . . . . . . 33 ASP CA . 18562 1 313 . 1 1 33 33 ASP CB C 13 41.691 0.053 . . . . . . 33 ASP CB . 18562 1 314 . 1 1 33 33 ASP N N 15 118.984 0.056 . . . . . . 33 ASP N . 18562 1 315 . 1 1 34 34 LEU H H 1 7.339 0.015 . . . . . . 34 LEU HN . 18562 1 316 . 1 1 34 34 LEU HA H 1 4.075 0.014 . . . . . . 34 LEU HA . 18562 1 317 . 1 1 34 34 LEU HB2 H 1 1.984 0.013 . . . . . . 34 LEU HB2 . 18562 1 318 . 1 1 34 34 LEU HB3 H 1 1.677 0.020 . . . . . . 34 LEU HB3 . 18562 1 319 . 1 1 34 34 LEU HG H 1 1.744 0.040 . . . . . . 34 LEU HG . 18562 1 320 . 1 1 34 34 LEU HD11 H 1 0.945 0.020 . . . . . . 34 LEU HD1 . 18562 1 321 . 1 1 34 34 LEU HD12 H 1 0.945 0.020 . . . . . . 34 LEU HD1 . 18562 1 322 . 1 1 34 34 LEU HD13 H 1 0.945 0.020 . . . . . . 34 LEU HD1 . 18562 1 323 . 1 1 34 34 LEU HD21 H 1 0.915 0.011 . . . . . . 34 LEU HD2 . 18562 1 324 . 1 1 34 34 LEU HD22 H 1 0.915 0.011 . . . . . . 34 LEU HD2 . 18562 1 325 . 1 1 34 34 LEU HD23 H 1 0.915 0.011 . . . . . . 34 LEU HD2 . 18562 1 326 . 1 1 34 34 LEU C C 13 179.861 0.013 . . . . . . 34 LEU C . 18562 1 327 . 1 1 34 34 LEU CA C 13 58.469 0.104 . . . . . . 34 LEU CA . 18562 1 328 . 1 1 34 34 LEU CB C 13 41.283 0.095 . . . . . . 34 LEU CB . 18562 1 329 . 1 1 34 34 LEU CG C 13 24.546 0.000 . . . . . . 34 LEU CG . 18562 1 330 . 1 1 34 34 LEU CD2 C 13 23.714 0.031 . . . . . . 34 LEU CD2 . 18562 1 331 . 1 1 34 34 LEU N N 15 117.891 0.048 . . . . . . 34 LEU N . 18562 1 332 . 1 1 35 35 VAL H H 1 8.140 0.012 . . . . . . 35 VAL HN . 18562 1 333 . 1 1 35 35 VAL HA H 1 3.367 0.013 . . . . . . 35 VAL HA . 18562 1 334 . 1 1 35 35 VAL HB H 1 2.430 0.024 . . . . . . 35 VAL HB . 18562 1 335 . 1 1 35 35 VAL HG11 H 1 1.037 0.017 . . . . . . 35 VAL HG1 . 18562 1 336 . 1 1 35 35 VAL HG12 H 1 1.037 0.017 . . . . . . 35 VAL HG1 . 18562 1 337 . 1 1 35 35 VAL HG13 H 1 1.037 0.017 . . . . . . 35 VAL HG1 . 18562 1 338 . 1 1 35 35 VAL HG21 H 1 0.625 0.011 . . . . . . 35 VAL HG2 . 18562 1 339 . 1 1 35 35 VAL HG22 H 1 0.625 0.011 . . . . . . 35 VAL HG2 . 18562 1 340 . 1 1 35 35 VAL HG23 H 1 0.625 0.011 . . . . . . 35 VAL HG2 . 18562 1 341 . 1 1 35 35 VAL C C 13 177.615 0.021 . . . . . . 35 VAL C . 18562 1 342 . 1 1 35 35 VAL CA C 13 67.529 0.128 . . . . . . 35 VAL CA . 18562 1 343 . 1 1 35 35 VAL CB C 13 31.537 0.112 . . . . . . 35 VAL CB . 18562 1 344 . 1 1 35 35 VAL CG1 C 13 24.461 0.000 . . . . . . 35 VAL CG1 . 18562 1 345 . 1 1 35 35 VAL CG2 C 13 20.685 0.056 . . . . . . 35 VAL CG2 . 18562 1 346 . 1 1 35 35 VAL N N 15 120.220 0.056 . . . . . . 35 VAL N . 18562 1 347 . 1 1 36 36 HIS H H 1 7.736 0.008 . . . . . . 36 HIS HN . 18562 1 348 . 1 1 36 36 HIS HA H 1 4.360 0.001 . . . . . . 36 HIS HA . 18562 1 349 . 1 1 36 36 HIS HB2 H 1 1.755 0.010 . . . . . . 36 HIS HB2 . 18562 1 350 . 1 1 36 36 HIS HB3 H 1 1.476 0.030 . . . . . . 36 HIS HB3 . 18562 1 351 . 1 1 36 36 HIS C C 13 177.906 0.005 . . . . . . 36 HIS C . 18562 1 352 . 1 1 36 36 HIS CA C 13 59.842 0.101 . . . . . . 36 HIS CA . 18562 1 353 . 1 1 36 36 HIS CB C 13 31.763 0.041 . . . . . . 36 HIS CB . 18562 1 354 . 1 1 36 36 HIS N N 15 115.200 0.048 . . . . . . 36 HIS N . 18562 1 355 . 1 1 37 37 GLN H H 1 7.896 0.013 . . . . . . 37 GLN HN . 18562 1 356 . 1 1 37 37 GLN HA H 1 4.400 0.011 . . . . . . 37 GLN HA . 18562 1 357 . 1 1 37 37 GLN HB2 H 1 2.230 0.100 . . . . . . 37 GLN HB2 . 18562 1 358 . 1 1 37 37 GLN HB3 H 1 2.052 0.012 . . . . . . 37 GLN HB3 . 18562 1 359 . 1 1 37 37 GLN HG2 H 1 2.599 0.010 . . . . . . 37 GLN HG2 . 18562 1 360 . 1 1 37 37 GLN HG3 H 1 2.512 0.005 . . . . . . 37 GLN HG3 . 18562 1 361 . 1 1 37 37 GLN C C 13 176.114 0.013 . . . . . . 37 GLN C . 18562 1 362 . 1 1 37 37 GLN CA C 13 56.723 0.061 . . . . . . 37 GLN CA . 18562 1 363 . 1 1 37 37 GLN CB C 13 30.357 0.020 . . . . . . 37 GLN CB . 18562 1 364 . 1 1 37 37 GLN CG C 13 34.010 0.053 . . . . . . 37 GLN CG . 18562 1 365 . 1 1 37 37 GLN N N 15 117.436 0.036 . . . . . . 37 GLN N . 18562 1 366 . 1 1 38 38 ALA H H 1 7.769 0.016 . . . . . . 38 ALA HN . 18562 1 367 . 1 1 38 38 ALA HA H 1 4.467 0.024 . . . . . . 38 ALA HA . 18562 1 368 . 1 1 38 38 ALA HB1 H 1 1.276 0.015 . . . . . . 38 ALA HB . 18562 1 369 . 1 1 38 38 ALA HB2 H 1 1.276 0.015 . . . . . . 38 ALA HB . 18562 1 370 . 1 1 38 38 ALA HB3 H 1 1.276 0.015 . . . . . . 38 ALA HB . 18562 1 371 . 1 1 38 38 ALA C C 13 175.623 0.024 . . . . . . 38 ALA C . 18562 1 372 . 1 1 38 38 ALA CA C 13 51.991 0.164 . . . . . . 38 ALA CA . 18562 1 373 . 1 1 38 38 ALA CB C 13 19.668 0.351 . . . . . . 38 ALA CB . 18562 1 374 . 1 1 38 38 ALA N N 15 123.331 0.051 . . . . . . 38 ALA N . 18562 1 375 . 1 1 39 39 LYS H H 1 8.472 0.008 . . . . . . 39 LYS HN . 18562 1 376 . 1 1 39 39 LYS HA H 1 4.469 0.000 . . . . . . 39 LYS HA . 18562 1 377 . 1 1 39 39 LYS HB2 H 1 1.880 0.072 . . . . . . 39 LYS HB2 . 18562 1 378 . 1 1 39 39 LYS HB3 H 1 1.796 0.014 . . . . . . 39 LYS HB3 . 18562 1 379 . 1 1 39 39 LYS HG2 H 1 1.491 0.014 . . . . . . 39 LYS HG2 . 18562 1 380 . 1 1 39 39 LYS HE2 H 1 3.072 0.002 . . . . . . 39 LYS HE . 18562 1 381 . 1 1 39 39 LYS HE3 H 1 3.072 0.002 . . . . . . 39 LYS HE . 18562 1 382 . 1 1 39 39 LYS C C 13 177.838 0.019 . . . . . . 39 LYS C . 18562 1 383 . 1 1 39 39 LYS CA C 13 54.215 0.015 . . . . . . 39 LYS CA . 18562 1 384 . 1 1 39 39 LYS CB C 13 36.071 0.066 . . . . . . 39 LYS CB . 18562 1 385 . 1 1 39 39 LYS CG C 13 24.498 0.000 . . . . . . 39 LYS CG . 18562 1 386 . 1 1 39 39 LYS CD C 13 28.614 0.000 . . . . . . 39 LYS CD . 18562 1 387 . 1 1 39 39 LYS CE C 13 40.552 0.000 . . . . . . 39 LYS CE . 18562 1 388 . 1 1 39 39 LYS N N 15 116.977 0.038 . . . . . . 39 LYS N . 18562 1 389 . 1 1 40 40 GLY H H 1 8.852 0.015 . . . . . . 40 GLY HN . 18562 1 390 . 1 1 40 40 GLY HA2 H 1 4.114 0.020 . . . . . . 40 GLY HA2 . 18562 1 391 . 1 1 40 40 GLY HA3 H 1 3.715 0.018 . . . . . . 40 GLY HA3 . 18562 1 392 . 1 1 40 40 GLY C C 13 179.182 0.000 . . . . . . 40 GLY C . 18562 1 393 . 1 1 40 40 GLY CA C 13 46.402 0.122 . . . . . . 40 GLY CA . 18562 1 394 . 1 1 40 40 GLY N N 15 109.842 0.085 . . . . . . 40 GLY N . 18562 1 395 . 1 1 41 41 ARG HA H 1 4.097 0.003 . . . . . . 41 ARG HA . 18562 1 396 . 1 1 41 41 ARG HB2 H 1 2.019 0.005 . . . . . . 41 ARG HB2 . 18562 1 397 . 1 1 41 41 ARG HG2 H 1 1.839 0.003 . . . . . . 41 ARG HG2 . 18562 1 398 . 1 1 41 41 ARG HE H 1 3.301 0.002 . . . . . . 41 ARG HE . 18562 1 399 . 1 1 41 41 ARG C C 13 178.657 0.000 . . . . . . 41 ARG C . 18562 1 400 . 1 1 41 41 ARG CA C 13 58.985 0.074 . . . . . . 41 ARG CA . 18562 1 401 . 1 1 41 41 ARG CB C 13 29.535 0.050 . . . . . . 41 ARG CB . 18562 1 402 . 1 1 41 41 ARG CG C 13 27.175 0.012 . . . . . . 41 ARG CG . 18562 1 403 . 1 1 41 41 ARG CZ C 13 43.199 0.016 . . . . . . 41 ARG CZ . 18562 1 404 . 1 1 42 42 ASP H H 1 8.303 0.010 . . . . . . 42 ASP HN . 18562 1 405 . 1 1 42 42 ASP HA H 1 4.541 0.018 . . . . . . 42 ASP HA . 18562 1 406 . 1 1 42 42 ASP HB2 H 1 3.093 0.015 . . . . . . 42 ASP HB2 . 18562 1 407 . 1 1 42 42 ASP HB3 H 1 2.770 0.010 . . . . . . 42 ASP HB3 . 18562 1 408 . 1 1 42 42 ASP C C 13 178.565 0.007 . . . . . . 42 ASP C . 18562 1 409 . 1 1 42 42 ASP CA C 13 56.981 0.091 . . . . . . 42 ASP CA . 18562 1 410 . 1 1 42 42 ASP CB C 13 40.253 0.074 . . . . . . 42 ASP CB . 18562 1 411 . 1 1 42 42 ASP N N 15 119.761 0.066 . . . . . . 42 ASP N . 18562 1 412 . 1 1 43 43 GLN H H 1 7.526 0.023 . . . . . . 43 GLN HN . 18562 1 413 . 1 1 43 43 GLN HA H 1 3.764 0.013 . . . . . . 43 GLN HA . 18562 1 414 . 1 1 43 43 GLN HB2 H 1 2.270 0.016 . . . . . . 43 GLN HB2 . 18562 1 415 . 1 1 43 43 GLN HB3 H 1 1.533 0.020 . . . . . . 43 GLN HB3 . 18562 1 416 . 1 1 43 43 GLN HG2 H 1 2.635 0.014 . . . . . . 43 GLN HG2 . 18562 1 417 . 1 1 43 43 GLN HG3 H 1 2.079 0.013 . . . . . . 43 GLN HG3 . 18562 1 418 . 1 1 43 43 GLN C C 13 178.219 0.018 . . . . . . 43 GLN C . 18562 1 419 . 1 1 43 43 GLN CA C 13 58.989 0.095 . . . . . . 43 GLN CA . 18562 1 420 . 1 1 43 43 GLN CB C 13 28.581 0.089 . . . . . . 43 GLN CB . 18562 1 421 . 1 1 43 43 GLN CG C 13 34.476 0.104 . . . . . . 43 GLN CG . 18562 1 422 . 1 1 43 43 GLN N N 15 121.866 0.081 . . . . . . 43 GLN N . 18562 1 423 . 1 1 44 44 ILE H H 1 7.574 0.013 . . . . . . 44 ILE HN . 18562 1 424 . 1 1 44 44 ILE HA H 1 3.509 0.016 . . . . . . 44 ILE HA . 18562 1 425 . 1 1 44 44 ILE HB H 1 2.065 0.017 . . . . . . 44 ILE HB . 18562 1 426 . 1 1 44 44 ILE HG12 H 1 1.503 0.128 . . . . . . 44 ILE HG12 . 18562 1 427 . 1 1 44 44 ILE HG13 H 1 1.226 0.015 . . . . . . 44 ILE HG13 . 18562 1 428 . 1 1 44 44 ILE HG21 H 1 0.825 0.020 . . . . . . 44 ILE HG2 . 18562 1 429 . 1 1 44 44 ILE HG22 H 1 0.825 0.020 . . . . . . 44 ILE HG2 . 18562 1 430 . 1 1 44 44 ILE HG23 H 1 0.825 0.020 . . . . . . 44 ILE HG2 . 18562 1 431 . 1 1 44 44 ILE HD11 H 1 0.790 0.022 . . . . . . 44 ILE HD1 . 18562 1 432 . 1 1 44 44 ILE HD12 H 1 0.790 0.022 . . . . . . 44 ILE HD1 . 18562 1 433 . 1 1 44 44 ILE HD13 H 1 0.790 0.022 . . . . . . 44 ILE HD1 . 18562 1 434 . 1 1 44 44 ILE C C 13 177.993 0.018 . . . . . . 44 ILE C . 18562 1 435 . 1 1 44 44 ILE CA C 13 64.649 0.126 . . . . . . 44 ILE CA . 18562 1 436 . 1 1 44 44 ILE CB C 13 37.258 0.176 . . . . . . 44 ILE CB . 18562 1 437 . 1 1 44 44 ILE CG1 C 13 28.378 0.000 . . . . . . 44 ILE CG1 . 18562 1 438 . 1 1 44 44 ILE CG2 C 13 17.730 0.000 . . . . . . 44 ILE CG2 . 18562 1 439 . 1 1 44 44 ILE CD1 C 13 12.015 0.000 . . . . . . 44 ILE CD1 . 18562 1 440 . 1 1 44 44 ILE N N 15 122.268 0.058 . . . . . . 44 ILE N . 18562 1 441 . 1 1 45 45 ALA H H 1 7.981 0.012 . . . . . . 45 ALA HN . 18562 1 442 . 1 1 45 45 ALA HA H 1 4.266 0.007 . . . . . . 45 ALA HA . 18562 1 443 . 1 1 45 45 ALA HB1 H 1 1.603 0.004 . . . . . . 45 ALA HB . 18562 1 444 . 1 1 45 45 ALA HB2 H 1 1.603 0.004 . . . . . . 45 ALA HB . 18562 1 445 . 1 1 45 45 ALA HB3 H 1 1.603 0.004 . . . . . . 45 ALA HB . 18562 1 446 . 1 1 45 45 ALA C C 13 180.981 0.009 . . . . . . 45 ALA C . 18562 1 447 . 1 1 45 45 ALA CA C 13 55.729 0.073 . . . . . . 45 ALA CA . 18562 1 448 . 1 1 45 45 ALA CB C 13 18.167 0.061 . . . . . . 45 ALA CB . 18562 1 449 . 1 1 45 45 ALA N N 15 121.929 0.049 . . . . . . 45 ALA N . 18562 1 450 . 1 1 46 46 ALA H H 1 8.069 0.013 . . . . . . 46 ALA HN . 18562 1 451 . 1 1 46 46 ALA HA H 1 4.168 0.010 . . . . . . 46 ALA HA . 18562 1 452 . 1 1 46 46 ALA HB1 H 1 1.422 0.017 . . . . . . 46 ALA HB . 18562 1 453 . 1 1 46 46 ALA HB2 H 1 1.422 0.017 . . . . . . 46 ALA HB . 18562 1 454 . 1 1 46 46 ALA HB3 H 1 1.422 0.017 . . . . . . 46 ALA HB . 18562 1 455 . 1 1 46 46 ALA C C 13 180.260 0.011 . . . . . . 46 ALA C . 18562 1 456 . 1 1 46 46 ALA CA C 13 54.387 0.106 . . . . . . 46 ALA CA . 18562 1 457 . 1 1 46 46 ALA CB C 13 17.928 0.027 . . . . . . 46 ALA CB . 18562 1 458 . 1 1 46 46 ALA N N 15 118.801 0.041 . . . . . . 46 ALA N . 18562 1 459 . 1 1 47 47 SER H H 1 8.123 0.016 . . . . . . 47 SER HN . 18562 1 460 . 1 1 47 47 SER HA H 1 4.059 0.009 . . . . . . 47 SER HA . 18562 1 461 . 1 1 47 47 SER HB2 H 1 3.545 0.012 . . . . . . 47 SER HB2 . 18562 1 462 . 1 1 47 47 SER HB3 H 1 3.134 0.000 . . . . . . 47 SER HB3 . 18562 1 463 . 1 1 47 47 SER C C 13 175.536 0.025 . . . . . . 47 SER C . 18562 1 464 . 1 1 47 47 SER CA C 13 62.774 0.095 . . . . . . 47 SER CA . 18562 1 465 . 1 1 47 47 SER CB C 13 62.886 0.000 . . . . . . 47 SER CB . 18562 1 466 . 1 1 47 47 SER N N 15 118.087 0.074 . . . . . . 47 SER N . 18562 1 467 . 1 1 48 48 PHE H H 1 8.220 0.015 . . . . . . 48 PHE HN . 18562 1 468 . 1 1 48 48 PHE HA H 1 4.311 0.016 . . . . . . 48 PHE HA . 18562 1 469 . 1 1 48 48 PHE HB2 H 1 3.176 0.031 . . . . . . 48 PHE HB2 . 18562 1 470 . 1 1 48 48 PHE HB3 H 1 3.129 0.026 . . . . . . 48 PHE HB3 . 18562 1 471 . 1 1 48 48 PHE C C 13 179.560 0.012 . . . . . . 48 PHE C . 18562 1 472 . 1 1 48 48 PHE CA C 13 61.991 0.099 . . . . . . 48 PHE CA . 18562 1 473 . 1 1 48 48 PHE CB C 13 38.514 0.034 . . . . . . 48 PHE CB . 18562 1 474 . 1 1 48 48 PHE N N 15 122.990 0.048 . . . . . . 48 PHE N . 18562 1 475 . 1 1 49 49 GLU H H 1 7.720 0.016 . . . . . . 49 GLU HN . 18562 1 476 . 1 1 49 49 GLU HA H 1 4.292 0.014 . . . . . . 49 GLU HA . 18562 1 477 . 1 1 49 49 GLU HB2 H 1 2.195 0.015 . . . . . . 49 GLU HB2 . 18562 1 478 . 1 1 49 49 GLU HB3 H 1 1.999 0.015 . . . . . . 49 GLU HB3 . 18562 1 479 . 1 1 49 49 GLU HG2 H 1 2.408 0.035 . . . . . . 49 GLU HG2 . 18562 1 480 . 1 1 49 49 GLU C C 13 178.448 0.023 . . . . . . 49 GLU C . 18562 1 481 . 1 1 49 49 GLU CA C 13 58.735 0.112 . . . . . . 49 GLU CA . 18562 1 482 . 1 1 49 49 GLU CB C 13 29.230 0.015 . . . . . . 49 GLU CB . 18562 1 483 . 1 1 49 49 GLU CG C 13 35.626 0.000 . . . . . . 49 GLU CG . 18562 1 484 . 1 1 49 49 GLU N N 15 119.360 0.074 . . . . . . 49 GLU N . 18562 1 485 . 1 1 50 50 LEU H H 1 8.041 0.013 . . . . . . 50 LEU HN . 18562 1 486 . 1 1 50 50 LEU HA H 1 3.890 0.005 . . . . . . 50 LEU HA . 18562 1 487 . 1 1 50 50 LEU HB2 H 1 2.376 0.002 . . . . . . 50 LEU HB2 . 18562 1 488 . 1 1 50 50 LEU HB3 H 1 1.991 0.000 . . . . . . 50 LEU HB3 . 18562 1 489 . 1 1 50 50 LEU HG H 1 1.706 0.003 . . . . . . 50 LEU HG . 18562 1 490 . 1 1 50 50 LEU HD11 H 1 1.424 0.001 . . . . . . 50 LEU HD1 . 18562 1 491 . 1 1 50 50 LEU HD12 H 1 1.424 0.001 . . . . . . 50 LEU HD1 . 18562 1 492 . 1 1 50 50 LEU HD13 H 1 1.424 0.001 . . . . . . 50 LEU HD1 . 18562 1 493 . 1 1 50 50 LEU HD21 H 1 0.989 0.008 . . . . . . 50 LEU HD2 . 18562 1 494 . 1 1 50 50 LEU HD22 H 1 0.989 0.008 . . . . . . 50 LEU HD2 . 18562 1 495 . 1 1 50 50 LEU HD23 H 1 0.989 0.008 . . . . . . 50 LEU HD2 . 18562 1 496 . 1 1 50 50 LEU C C 13 177.047 0.021 . . . . . . 50 LEU C . 18562 1 497 . 1 1 50 50 LEU CA C 13 58.859 0.031 . . . . . . 50 LEU CA . 18562 1 498 . 1 1 50 50 LEU CB C 13 41.466 0.071 . . . . . . 50 LEU CB . 18562 1 499 . 1 1 50 50 LEU CD2 C 13 28.465 0.120 . . . . . . 50 LEU CD2 . 18562 1 500 . 1 1 50 50 LEU N N 15 120.585 0.058 . . . . . . 50 LEU N . 18562 1 501 . 1 1 51 51 ASN H H 1 8.096 0.014 . . . . . . 51 ASN HN . 18562 1 502 . 1 1 51 51 ASN HA H 1 4.372 0.037 . . . . . . 51 ASN HA . 18562 1 503 . 1 1 51 51 ASN HB2 H 1 2.734 0.012 . . . . . . 51 ASN HB2 . 18562 1 504 . 1 1 51 51 ASN C C 13 177.265 0.019 . . . . . . 51 ASN C . 18562 1 505 . 1 1 51 51 ASN CA C 13 56.359 0.059 . . . . . . 51 ASN CA . 18562 1 506 . 1 1 51 51 ASN CB C 13 37.505 0.080 . . . . . . 51 ASN CB . 18562 1 507 . 1 1 51 51 ASN N N 15 118.260 0.052 . . . . . . 51 ASN N . 18562 1 508 . 1 1 52 52 LYS H H 1 7.755 0.015 . . . . . . 52 LYS HN . 18562 1 509 . 1 1 52 52 LYS HA H 1 4.106 0.005 . . . . . . 52 LYS HA . 18562 1 510 . 1 1 52 52 LYS HB2 H 1 2.059 0.001 . . . . . . 52 LYS HB2 . 18562 1 511 . 1 1 52 52 LYS HB3 H 1 1.964 0.000 . . . . . . 52 LYS HB3 . 18562 1 512 . 1 1 52 52 LYS C C 13 178.470 0.008 . . . . . . 52 LYS C . 18562 1 513 . 1 1 52 52 LYS CA C 13 60.026 0.039 . . . . . . 52 LYS CA . 18562 1 514 . 1 1 52 52 LYS CB C 13 32.421 0.026 . . . . . . 52 LYS CB . 18562 1 515 . 1 1 52 52 LYS CG C 13 24.799 0.000 . . . . . . 52 LYS CG . 18562 1 516 . 1 1 52 52 LYS CD C 13 29.114 0.000 . . . . . . 52 LYS CD . 18562 1 517 . 1 1 52 52 LYS N N 15 120.786 0.049 . . . . . . 52 LYS N . 18562 1 518 . 1 1 53 53 LYS H H 1 8.190 0.014 . . . . . . 53 LYS HN . 18562 1 519 . 1 1 53 53 LYS HA H 1 4.197 0.002 . . . . . . 53 LYS HA . 18562 1 520 . 1 1 53 53 LYS HB2 H 1 1.971 0.004 . . . . . . 53 LYS HB2 . 18562 1 521 . 1 1 53 53 LYS HG2 H 1 1.579 0.002 . . . . . . 53 LYS HG2 . 18562 1 522 . 1 1 53 53 LYS C C 13 180.939 0.015 . . . . . . 53 LYS C . 18562 1 523 . 1 1 53 53 LYS CA C 13 60.067 0.020 . . . . . . 53 LYS CA . 18562 1 524 . 1 1 53 53 LYS CB C 13 33.700 0.033 . . . . . . 53 LYS CB . 18562 1 525 . 1 1 53 53 LYS CG C 13 26.556 0.000 . . . . . . 53 LYS CG . 18562 1 526 . 1 1 53 53 LYS CD C 13 29.785 0.000 . . . . . . 53 LYS CD . 18562 1 527 . 1 1 53 53 LYS CE C 13 42.225 0.000 . . . . . . 53 LYS CE . 18562 1 528 . 1 1 53 53 LYS N N 15 118.397 0.044 . . . . . . 53 LYS N . 18562 1 529 . 1 1 54 54 ILE H H 1 8.700 0.009 . . . . . . 54 ILE HN . 18562 1 530 . 1 1 54 54 ILE HA H 1 3.656 0.015 . . . . . . 54 ILE HA . 18562 1 531 . 1 1 54 54 ILE HB H 1 2.034 0.021 . . . . . . 54 ILE HB . 18562 1 532 . 1 1 54 54 ILE HG21 H 1 0.974 0.017 . . . . . . 54 ILE HG2 . 18562 1 533 . 1 1 54 54 ILE HG22 H 1 0.974 0.017 . . . . . . 54 ILE HG2 . 18562 1 534 . 1 1 54 54 ILE HG23 H 1 0.974 0.017 . . . . . . 54 ILE HG2 . 18562 1 535 . 1 1 54 54 ILE HD11 H 1 0.764 0.087 . . . . . . 54 ILE HD1 . 18562 1 536 . 1 1 54 54 ILE HD12 H 1 0.764 0.087 . . . . . . 54 ILE HD1 . 18562 1 537 . 1 1 54 54 ILE HD13 H 1 0.764 0.087 . . . . . . 54 ILE HD1 . 18562 1 538 . 1 1 54 54 ILE C C 13 176.784 0.018 . . . . . . 54 ILE C . 18562 1 539 . 1 1 54 54 ILE CA C 13 66.747 0.130 . . . . . . 54 ILE CA . 18562 1 540 . 1 1 54 54 ILE CB C 13 38.650 0.072 . . . . . . 54 ILE CB . 18562 1 541 . 1 1 54 54 ILE CG1 C 13 29.845 0.000 . . . . . . 54 ILE CG1 . 18562 1 542 . 1 1 54 54 ILE CG2 C 13 18.074 0.000 . . . . . . 54 ILE CG2 . 18562 1 543 . 1 1 54 54 ILE CD1 C 13 14.069 0.000 . . . . . . 54 ILE CD1 . 18562 1 544 . 1 1 54 54 ILE N N 15 121.550 0.050 . . . . . . 54 ILE N . 18562 1 545 . 1 1 55 55 ASN H H 1 8.491 0.009 . . . . . . 55 ASN HN . 18562 1 546 . 1 1 55 55 ASN HA H 1 4.451 0.011 . . . . . . 55 ASN HA . 18562 1 547 . 1 1 55 55 ASN HB2 H 1 3.017 0.007 . . . . . . 55 ASN HB2 . 18562 1 548 . 1 1 55 55 ASN HB3 H 1 2.850 0.000 . . . . . . 55 ASN HB3 . 18562 1 549 . 1 1 55 55 ASN C C 13 179.087 0.006 . . . . . . 55 ASN C . 18562 1 550 . 1 1 55 55 ASN CA C 13 56.279 0.063 . . . . . . 55 ASN CA . 18562 1 551 . 1 1 55 55 ASN CB C 13 37.710 0.029 . . . . . . 55 ASN CB . 18562 1 552 . 1 1 55 55 ASN N N 15 119.091 0.051 . . . . . . 55 ASN N . 18562 1 553 . 1 1 56 56 ASP H H 1 8.731 0.011 . . . . . . 56 ASP HN . 18562 1 554 . 1 1 56 56 ASP HA H 1 4.480 0.009 . . . . . . 56 ASP HA . 18562 1 555 . 1 1 56 56 ASP HB2 H 1 2.812 0.008 . . . . . . 56 ASP HB2 . 18562 1 556 . 1 1 56 56 ASP C C 13 177.903 0.022 . . . . . . 56 ASP C . 18562 1 557 . 1 1 56 56 ASP CA C 13 57.361 0.078 . . . . . . 56 ASP CA . 18562 1 558 . 1 1 56 56 ASP CB C 13 40.285 0.039 . . . . . . 56 ASP CB . 18562 1 559 . 1 1 56 56 ASP N N 15 121.272 0.062 . . . . . . 56 ASP N . 18562 1 560 . 1 1 57 57 TYR H H 1 8.195 0.011 . . . . . . 57 TYR HN . 18562 1 561 . 1 1 57 57 TYR HA H 1 4.239 0.017 . . . . . . 57 TYR HA . 18562 1 562 . 1 1 57 57 TYR HB2 H 1 3.327 0.020 . . . . . . 57 TYR HB2 . 18562 1 563 . 1 1 57 57 TYR HB3 H 1 3.135 0.017 . . . . . . 57 TYR HB3 . 18562 1 564 . 1 1 57 57 TYR C C 13 178.660 0.016 . . . . . . 57 TYR C . 18562 1 565 . 1 1 57 57 TYR CA C 13 62.881 0.112 . . . . . . 57 TYR CA . 18562 1 566 . 1 1 57 57 TYR CB C 13 39.451 0.137 . . . . . . 57 TYR CB . 18562 1 567 . 1 1 57 57 TYR N N 15 122.251 0.080 . . . . . . 57 TYR N . 18562 1 568 . 1 1 58 58 ILE H H 1 8.675 0.010 . . . . . . 58 ILE HN . 18562 1 569 . 1 1 58 58 ILE HA H 1 3.718 0.022 . . . . . . 58 ILE HA . 18562 1 570 . 1 1 58 58 ILE HB H 1 1.911 0.031 . . . . . . 58 ILE HB . 18562 1 571 . 1 1 58 58 ILE HG12 H 1 0.988 0.035 . . . . . . 58 ILE HG1 . 18562 1 572 . 1 1 58 58 ILE HG13 H 1 0.988 0.035 . . . . . . 58 ILE HG1 . 18562 1 573 . 1 1 58 58 ILE HG21 H 1 0.872 0.037 . . . . . . 58 ILE HG2 . 18562 1 574 . 1 1 58 58 ILE HG22 H 1 0.872 0.037 . . . . . . 58 ILE HG2 . 18562 1 575 . 1 1 58 58 ILE HG23 H 1 0.872 0.037 . . . . . . 58 ILE HG2 . 18562 1 576 . 1 1 58 58 ILE C C 13 178.186 0.009 . . . . . . 58 ILE C . 18562 1 577 . 1 1 58 58 ILE CA C 13 65.203 0.129 . . . . . . 58 ILE CA . 18562 1 578 . 1 1 58 58 ILE CB C 13 38.554 0.086 . . . . . . 58 ILE CB . 18562 1 579 . 1 1 58 58 ILE CG1 C 13 29.067 0.000 . . . . . . 58 ILE CG1 . 18562 1 580 . 1 1 58 58 ILE CG2 C 13 16.440 0.000 . . . . . . 58 ILE CG2 . 18562 1 581 . 1 1 58 58 ILE CD1 C 13 14.053 0.000 . . . . . . 58 ILE CD1 . 18562 1 582 . 1 1 58 58 ILE N N 15 120.666 0.076 . . . . . . 58 ILE N . 18562 1 583 . 1 1 59 59 ALA H H 1 7.819 0.014 . . . . . . 59 ALA HN . 18562 1 584 . 1 1 59 59 ALA HA H 1 4.096 0.015 . . . . . . 59 ALA HA . 18562 1 585 . 1 1 59 59 ALA HB1 H 1 1.554 0.020 . . . . . . 59 ALA HB . 18562 1 586 . 1 1 59 59 ALA HB2 H 1 1.554 0.020 . . . . . . 59 ALA HB . 18562 1 587 . 1 1 59 59 ALA HB3 H 1 1.554 0.020 . . . . . . 59 ALA HB . 18562 1 588 . 1 1 59 59 ALA C C 13 179.760 0.016 . . . . . . 59 ALA C . 18562 1 589 . 1 1 59 59 ALA CA C 13 54.616 0.184 . . . . . . 59 ALA CA . 18562 1 590 . 1 1 59 59 ALA CB C 13 18.604 0.034 . . . . . . 59 ALA CB . 18562 1 591 . 1 1 59 59 ALA N N 15 119.976 0.054 . . . . . . 59 ALA N . 18562 1 592 . 1 1 60 60 GLU H H 1 7.640 0.010 . . . . . . 60 GLU HN . 18562 1 593 . 1 1 60 60 GLU HA H 1 4.019 0.008 . . . . . . 60 GLU HA . 18562 1 594 . 1 1 60 60 GLU HB2 H 1 1.870 0.009 . . . . . . 60 GLU HB2 . 18562 1 595 . 1 1 60 60 GLU HB3 H 1 1.612 0.009 . . . . . . 60 GLU HB3 . 18562 1 596 . 1 1 60 60 GLU HG2 H 1 2.182 0.012 . . . . . . 60 GLU HG2 . 18562 1 597 . 1 1 60 60 GLU HG3 H 1 2.154 0.000 . . . . . . 60 GLU HG3 . 18562 1 598 . 1 1 60 60 GLU C C 13 175.922 0.015 . . . . . . 60 GLU C . 18562 1 599 . 1 1 60 60 GLU CA C 13 57.063 0.059 . . . . . . 60 GLU CA . 18562 1 600 . 1 1 60 60 GLU CB C 13 30.528 0.073 . . . . . . 60 GLU CB . 18562 1 601 . 1 1 60 60 GLU CG C 13 36.283 0.069 . . . . . . 60 GLU CG . 18562 1 602 . 1 1 60 60 GLU N N 15 115.654 0.049 . . . . . . 60 GLU N . 18562 1 603 . 1 1 61 61 HIS H H 1 7.825 0.015 . . . . . . 61 HIS HN . 18562 1 604 . 1 1 61 61 HIS HA H 1 4.986 0.020 . . . . . . 61 HIS HA . 18562 1 605 . 1 1 61 61 HIS HB2 H 1 2.950 0.022 . . . . . . 61 HIS HB2 . 18562 1 606 . 1 1 61 61 HIS HB3 H 1 2.816 0.025 . . . . . . 61 HIS HB3 . 18562 1 607 . 1 1 61 61 HIS C C 13 173.413 0.000 . . . . . . 61 HIS C . 18562 1 608 . 1 1 61 61 HIS CA C 13 53.147 0.149 . . . . . . 61 HIS CA . 18562 1 609 . 1 1 61 61 HIS CB C 13 28.599 0.000 . . . . . . 61 HIS CB . 18562 1 610 . 1 1 61 61 HIS N N 15 116.617 0.031 . . . . . . 61 HIS N . 18562 1 611 . 1 1 62 62 PRO HA H 1 4.537 0.001 . . . . . . 62 PRO HA . 18562 1 612 . 1 1 62 62 PRO HB2 H 1 2.458 0.012 . . . . . . 62 PRO HB2 . 18562 1 613 . 1 1 62 62 PRO HG2 H 1 2.112 0.000 . . . . . . 62 PRO HG2 . 18562 1 614 . 1 1 62 62 PRO HG3 H 1 2.054 0.000 . . . . . . 62 PRO HG3 . 18562 1 615 . 1 1 62 62 PRO HD2 H 1 3.616 0.016 . . . . . . 62 PRO HD2 . 18562 1 616 . 1 1 62 62 PRO HD3 H 1 3.361 0.018 . . . . . . 62 PRO HD3 . 18562 1 617 . 1 1 62 62 PRO CA C 13 65.683 0.000 . . . . . . 62 PRO CA . 18562 1 618 . 1 1 62 62 PRO CB C 13 32.670 0.000 . . . . . . 62 PRO CB . 18562 1 619 . 1 1 62 62 PRO CD C 13 50.385 0.138 . . . . . . 62 PRO CD . 18562 1 620 . 1 1 63 63 THR HA H 1 3.834 0.000 . . . . . . 63 THR HA . 18562 1 621 . 1 1 63 63 THR HB H 1 4.410 0.002 . . . . . . 63 THR HB . 18562 1 622 . 1 1 63 63 THR HG21 H 1 1.283 0.000 . . . . . . 63 THR HG1 . 18562 1 623 . 1 1 63 63 THR HG22 H 1 1.283 0.000 . . . . . . 63 THR HG1 . 18562 1 624 . 1 1 63 63 THR HG23 H 1 1.283 0.000 . . . . . . 63 THR HG1 . 18562 1 625 . 1 1 63 63 THR C C 13 175.021 0.000 . . . . . . 63 THR C . 18562 1 626 . 1 1 63 63 THR CA C 13 60.771 0.000 . . . . . . 63 THR CA . 18562 1 627 . 1 1 63 63 THR CB C 13 68.970 0.145 . . . . . . 63 THR CB . 18562 1 628 . 1 1 63 63 THR CG2 C 13 21.665 0.000 . . . . . . 63 THR CG . 18562 1 629 . 1 1 64 64 SER H H 1 7.571 0.013 . . . . . . 64 SER HN . 18562 1 630 . 1 1 64 64 SER C C 13 178.095 0.000 . . . . . . 64 SER C . 18562 1 631 . 1 1 64 64 SER CA C 13 58.803 0.000 . . . . . . 64 SER CA . 18562 1 632 . 1 1 64 64 SER CB C 13 63.991 0.000 . . . . . . 64 SER CB . 18562 1 633 . 1 1 64 64 SER N N 15 116.634 0.039 . . . . . . 64 SER N . 18562 1 634 . 1 1 66 66 ARG C C 13 176.784 0.009 . . . . . . 66 ARG C . 18562 1 635 . 1 1 66 66 ARG CA C 13 57.126 0.017 . . . . . . 66 ARG CA . 18562 1 636 . 1 1 66 66 ARG CB C 13 29.462 0.500 . . . . . . 66 ARG CB . 18562 1 637 . 1 1 66 66 ARG CG C 13 42.539 0.000 . . . . . . 66 ARG CG . 18562 1 638 . 1 1 67 67 ASN H H 1 7.503 0.024 . . . . . . 67 ASN HN . 18562 1 639 . 1 1 67 67 ASN HA H 1 4.430 0.035 . . . . . . 67 ASN HA . 18562 1 640 . 1 1 67 67 ASN HB2 H 1 3.007 0.025 . . . . . . 67 ASN HB2 . 18562 1 641 . 1 1 67 67 ASN HB3 H 1 2.857 0.016 . . . . . . 67 ASN HB3 . 18562 1 642 . 1 1 67 67 ASN C C 13 177.927 0.000 . . . . . . 67 ASN C . 18562 1 643 . 1 1 67 67 ASN CA C 13 56.480 0.000 . . . . . . 67 ASN CA . 18562 1 644 . 1 1 67 67 ASN CB C 13 37.552 0.100 . . . . . . 67 ASN CB . 18562 1 645 . 1 1 67 67 ASN N N 15 118.252 0.060 . . . . . . 67 ASN N . 18562 1 646 . 1 1 68 68 GLN HA H 1 4.180 0.000 . . . . . . 68 GLN HA . 18562 1 647 . 1 1 68 68 GLN HB2 H 1 2.474 0.002 . . . . . . 68 GLN HB2 . 18562 1 648 . 1 1 68 68 GLN HB3 H 1 2.208 0.004 . . . . . . 68 GLN HB3 . 18562 1 649 . 1 1 68 68 GLN C C 13 178.471 0.020 . . . . . . 68 GLN C . 18562 1 650 . 1 1 68 68 GLN CA C 13 60.074 0.045 . . . . . . 68 GLN CA . 18562 1 651 . 1 1 68 68 GLN CB C 13 27.880 0.088 . . . . . . 68 GLN CB . 18562 1 652 . 1 1 68 68 GLN CG C 13 34.118 0.000 . . . . . . 68 GLN CG . 18562 1 653 . 1 1 69 69 ALA H H 1 8.625 0.009 . . . . . . 69 ALA HN . 18562 1 654 . 1 1 69 69 ALA HA H 1 4.383 0.015 . . . . . . 69 ALA HA . 18562 1 655 . 1 1 69 69 ALA HB1 H 1 1.427 0.014 . . . . . . 69 ALA HB . 18562 1 656 . 1 1 69 69 ALA HB2 H 1 1.427 0.014 . . . . . . 69 ALA HB . 18562 1 657 . 1 1 69 69 ALA HB3 H 1 1.427 0.014 . . . . . . 69 ALA HB . 18562 1 658 . 1 1 69 69 ALA C C 13 179.912 0.000 . . . . . . 69 ALA C . 18562 1 659 . 1 1 69 69 ALA CA C 13 55.027 0.151 . . . . . . 69 ALA CA . 18562 1 660 . 1 1 69 69 ALA CB C 13 18.310 0.064 . . . . . . 69 ALA CB . 18562 1 661 . 1 1 69 69 ALA N N 15 122.823 0.083 . . . . . . 69 ALA N . 18562 1 662 . 1 1 70 70 LEU H H 1 8.554 0.000 . . . . . . 70 LEU HN . 18562 1 663 . 1 1 70 70 LEU HG H 1 1.680 0.002 . . . . . . 70 LEU HG . 18562 1 664 . 1 1 70 70 LEU HD11 H 1 0.667 0.000 . . . . . . 70 LEU HD1 . 18562 1 665 . 1 1 70 70 LEU HD12 H 1 0.667 0.000 . . . . . . 70 LEU HD1 . 18562 1 666 . 1 1 70 70 LEU HD13 H 1 0.667 0.000 . . . . . . 70 LEU HD1 . 18562 1 667 . 1 1 70 70 LEU C C 13 178.916 0.021 . . . . . . 70 LEU C . 18562 1 668 . 1 1 70 70 LEU CA C 13 57.542 0.071 . . . . . . 70 LEU CA . 18562 1 669 . 1 1 70 70 LEU CB C 13 41.722 0.031 . . . . . . 70 LEU CB . 18562 1 670 . 1 1 70 70 LEU CG C 13 27.029 0.067 . . . . . . 70 LEU CG . 18562 1 671 . 1 1 70 70 LEU CD1 C 13 23.312 0.000 . . . . . . 70 LEU CD1 . 18562 1 672 . 1 1 70 70 LEU N N 15 116.879 0.000 . . . . . . 70 LEU N . 18562 1 673 . 1 1 71 71 THR H H 1 8.530 0.010 . . . . . . 71 THR HN . 18562 1 674 . 1 1 71 71 THR HA H 1 4.438 0.012 . . . . . . 71 THR HA . 18562 1 675 . 1 1 71 71 THR HB H 1 3.856 0.008 . . . . . . 71 THR HB . 18562 1 676 . 1 1 71 71 THR HG21 H 1 1.306 0.003 . . . . . . 71 THR HG2 . 18562 1 677 . 1 1 71 71 THR HG22 H 1 1.306 0.003 . . . . . . 71 THR HG2 . 18562 1 678 . 1 1 71 71 THR HG23 H 1 1.306 0.003 . . . . . . 71 THR HG2 . 18562 1 679 . 1 1 71 71 THR C C 13 176.558 0.023 . . . . . . 71 THR C . 18562 1 680 . 1 1 71 71 THR CA C 13 67.462 0.036 . . . . . . 71 THR CA . 18562 1 681 . 1 1 71 71 THR CB C 13 68.063 0.460 . . . . . . 71 THR CB . 18562 1 682 . 1 1 71 71 THR CG2 C 13 21.666 0.000 . . . . . . 71 THR CG . 18562 1 683 . 1 1 71 71 THR N N 15 116.836 0.080 . . . . . . 71 THR N . 18562 1 684 . 1 1 72 72 GLN H H 1 7.875 0.013 . . . . . . 72 GLN HN . 18562 1 685 . 1 1 72 72 GLN HA H 1 4.146 0.007 . . . . . . 72 GLN HA . 18562 1 686 . 1 1 72 72 GLN HB2 H 1 2.232 0.007 . . . . . . 72 GLN HB2 . 18562 1 687 . 1 1 72 72 GLN HB3 H 1 2.085 0.000 . . . . . . 72 GLN HB3 . 18562 1 688 . 1 1 72 72 GLN HG2 H 1 2.625 0.004 . . . . . . 72 GLN HG2 . 18562 1 689 . 1 1 72 72 GLN HG3 H 1 2.405 0.007 . . . . . . 72 GLN HG3 . 18562 1 690 . 1 1 72 72 GLN C C 13 178.387 0.012 . . . . . . 72 GLN C . 18562 1 691 . 1 1 72 72 GLN CA C 13 59.355 0.074 . . . . . . 72 GLN CA . 18562 1 692 . 1 1 72 72 GLN CB C 13 28.265 0.026 . . . . . . 72 GLN CB . 18562 1 693 . 1 1 72 72 GLN CG C 13 34.070 0.000 . . . . . . 72 GLN CG . 18562 1 694 . 1 1 72 72 GLN N N 15 122.633 0.059 . . . . . . 72 GLN N . 18562 1 695 . 1 1 73 73 LEU H H 1 8.362 0.010 . . . . . . 73 LEU HN . 18562 1 696 . 1 1 73 73 LEU HA H 1 4.170 0.008 . . . . . . 73 LEU HA . 18562 1 697 . 1 1 73 73 LEU HB2 H 1 1.730 0.009 . . . . . . 73 LEU HB2 . 18562 1 698 . 1 1 73 73 LEU HB3 H 1 1.269 0.000 . . . . . . 73 LEU HB3 . 18562 1 699 . 1 1 73 73 LEU HG H 1 1.083 0.005 . . . . . . 73 LEU HG . 18562 1 700 . 1 1 73 73 LEU HD11 H 1 0.623 0.004 . . . . . . 73 LEU HD1 . 18562 1 701 . 1 1 73 73 LEU HD12 H 1 0.623 0.004 . . . . . . 73 LEU HD1 . 18562 1 702 . 1 1 73 73 LEU HD13 H 1 0.623 0.004 . . . . . . 73 LEU HD1 . 18562 1 703 . 1 1 73 73 LEU C C 13 177.517 0.026 . . . . . . 73 LEU C . 18562 1 704 . 1 1 73 73 LEU CA C 13 57.702 0.160 . . . . . . 73 LEU CA . 18562 1 705 . 1 1 73 73 LEU CB C 13 41.833 0.113 . . . . . . 73 LEU CB . 18562 1 706 . 1 1 73 73 LEU CG C 13 27.920 0.136 . . . . . . 73 LEU CG . 18562 1 707 . 1 1 73 73 LEU CD1 C 13 24.478 0.000 . . . . . . 73 LEU CD1 . 18562 1 708 . 1 1 73 73 LEU N N 15 121.560 0.066 . . . . . . 73 LEU N . 18562 1 709 . 1 1 74 74 LYS H H 1 8.340 0.009 . . . . . . 74 LYS HN . 18562 1 710 . 1 1 74 74 LYS HA H 1 4.134 0.000 . . . . . . 74 LYS HA . 18562 1 711 . 1 1 74 74 LYS C C 13 179.817 0.009 . . . . . . 74 LYS C . 18562 1 712 . 1 1 74 74 LYS CA C 13 59.581 0.067 . . . . . . 74 LYS CA . 18562 1 713 . 1 1 74 74 LYS CB C 13 32.645 0.038 . . . . . . 74 LYS CB . 18562 1 714 . 1 1 74 74 LYS CG C 13 24.393 0.000 . . . . . . 74 LYS CG . 18562 1 715 . 1 1 74 74 LYS CD C 13 29.699 0.000 . . . . . . 74 LYS CD . 18562 1 716 . 1 1 74 74 LYS CE C 13 41.714 0.000 . . . . . . 74 LYS CE . 18562 1 717 . 1 1 74 74 LYS N N 15 119.262 0.037 . . . . . . 74 LYS N . 18562 1 718 . 1 1 75 75 GLU H H 1 8.065 0.013 . . . . . . 75 GLU HN . 18562 1 719 . 1 1 75 75 GLU HA H 1 4.075 0.009 . . . . . . 75 GLU HA . 18562 1 720 . 1 1 75 75 GLU HG2 H 1 2.492 0.013 . . . . . . 75 GLU HG2 . 18562 1 721 . 1 1 75 75 GLU HG3 H 1 2.280 0.001 . . . . . . 75 GLU HG3 . 18562 1 722 . 1 1 75 75 GLU C C 13 179.463 0.013 . . . . . . 75 GLU C . 18562 1 723 . 1 1 75 75 GLU CA C 13 59.595 0.064 . . . . . . 75 GLU CA . 18562 1 724 . 1 1 75 75 GLU CB C 13 29.326 0.035 . . . . . . 75 GLU CB . 18562 1 725 . 1 1 75 75 GLU CG C 13 36.596 0.000 . . . . . . 75 GLU CG . 18562 1 726 . 1 1 75 75 GLU N N 15 120.787 0.052 . . . . . . 75 GLU N . 18562 1 727 . 1 1 76 76 GLN H H 1 8.385 0.014 . . . . . . 76 GLN HN . 18562 1 728 . 1 1 76 76 GLN HA H 1 4.003 0.008 . . . . . . 76 GLN HA . 18562 1 729 . 1 1 76 76 GLN HG2 H 1 2.678 0.020 . . . . . . 76 GLN HG2 . 18562 1 730 . 1 1 76 76 GLN HG3 H 1 2.582 0.019 . . . . . . 76 GLN HG3 . 18562 1 731 . 1 1 76 76 GLN C C 13 179.823 0.007 . . . . . . 76 GLN C . 18562 1 732 . 1 1 76 76 GLN CA C 13 58.718 0.073 . . . . . . 76 GLN CA . 18562 1 733 . 1 1 76 76 GLN CB C 13 28.517 0.020 . . . . . . 76 GLN CB . 18562 1 734 . 1 1 76 76 GLN CG C 13 32.839 0.000 . . . . . . 76 GLN CG . 18562 1 735 . 1 1 76 76 GLN N N 15 121.167 0.081 . . . . . . 76 GLN N . 18562 1 736 . 1 1 77 77 VAL H H 1 8.619 0.010 . . . . . . 77 VAL HN . 18562 1 737 . 1 1 77 77 VAL HA H 1 3.505 0.013 . . . . . . 77 VAL HA . 18562 1 738 . 1 1 77 77 VAL HB H 1 2.283 0.016 . . . . . . 77 VAL HB . 18562 1 739 . 1 1 77 77 VAL HG11 H 1 1.051 0.016 . . . . . . 77 VAL HG1 . 18562 1 740 . 1 1 77 77 VAL HG12 H 1 1.051 0.016 . . . . . . 77 VAL HG1 . 18562 1 741 . 1 1 77 77 VAL HG13 H 1 1.051 0.016 . . . . . . 77 VAL HG1 . 18562 1 742 . 1 1 77 77 VAL HG21 H 1 0.919 0.013 . . . . . . 77 VAL HG2 . 18562 1 743 . 1 1 77 77 VAL HG22 H 1 0.919 0.013 . . . . . . 77 VAL HG2 . 18562 1 744 . 1 1 77 77 VAL HG23 H 1 0.919 0.013 . . . . . . 77 VAL HG2 . 18562 1 745 . 1 1 77 77 VAL C C 13 177.554 0.012 . . . . . . 77 VAL C . 18562 1 746 . 1 1 77 77 VAL CA C 13 66.373 0.123 . . . . . . 77 VAL CA . 18562 1 747 . 1 1 77 77 VAL CB C 13 31.948 0.082 . . . . . . 77 VAL CB . 18562 1 748 . 1 1 77 77 VAL CG1 C 13 23.116 0.000 . . . . . . 77 VAL CG1 . 18562 1 749 . 1 1 77 77 VAL CG2 C 13 22.150 0.042 . . . . . . 77 VAL CG2 . 18562 1 750 . 1 1 77 77 VAL N N 15 119.250 0.056 . . . . . . 77 VAL N . 18562 1 751 . 1 1 78 78 THR H H 1 8.290 0.013 . . . . . . 78 THR HN . 18562 1 752 . 1 1 78 78 THR HA H 1 3.718 0.014 . . . . . . 78 THR HA . 18562 1 753 . 1 1 78 78 THR HB H 1 4.278 0.020 . . . . . . 78 THR HB . 18562 1 754 . 1 1 78 78 THR HG21 H 1 1.237 0.011 . . . . . . 78 THR HG2 . 18562 1 755 . 1 1 78 78 THR HG22 H 1 1.237 0.011 . . . . . . 78 THR HG2 . 18562 1 756 . 1 1 78 78 THR HG23 H 1 1.237 0.011 . . . . . . 78 THR HG2 . 18562 1 757 . 1 1 78 78 THR C C 13 177.103 0.011 . . . . . . 78 THR C . 18562 1 758 . 1 1 78 78 THR CA C 13 67.250 0.057 . . . . . . 78 THR CA . 18562 1 759 . 1 1 78 78 THR CB C 13 68.843 0.195 . . . . . . 78 THR CB . 18562 1 760 . 1 1 78 78 THR CG2 C 13 21.741 0.000 . . . . . . 78 THR CG . 18562 1 761 . 1 1 78 78 THR N N 15 115.287 0.066 . . . . . . 78 THR N . 18562 1 762 . 1 1 79 79 SER H H 1 8.098 0.012 . . . . . . 79 SER HN . 18562 1 763 . 1 1 79 79 SER HA H 1 4.289 0.010 . . . . . . 79 SER HA . 18562 1 764 . 1 1 79 79 SER HB2 H 1 3.979 0.005 . . . . . . 79 SER HB2 . 18562 1 765 . 1 1 79 79 SER C C 13 176.947 0.006 . . . . . . 79 SER C . 18562 1 766 . 1 1 79 79 SER CA C 13 61.283 0.110 . . . . . . 79 SER CA . 18562 1 767 . 1 1 79 79 SER CB C 13 63.078 0.030 . . . . . . 79 SER CB . 18562 1 768 . 1 1 79 79 SER N N 15 116.017 0.035 . . . . . . 79 SER N . 18562 1 769 . 1 1 80 80 ALA H H 1 8.341 0.010 . . . . . . 80 ALA HN . 18562 1 770 . 1 1 80 80 ALA HA H 1 4.159 0.002 . . . . . . 80 ALA HA . 18562 1 771 . 1 1 80 80 ALA HB1 H 1 1.435 0.011 . . . . . . 80 ALA HB . 18562 1 772 . 1 1 80 80 ALA HB2 H 1 1.435 0.011 . . . . . . 80 ALA HB . 18562 1 773 . 1 1 80 80 ALA HB3 H 1 1.435 0.011 . . . . . . 80 ALA HB . 18562 1 774 . 1 1 80 80 ALA C C 13 179.600 0.008 . . . . . . 80 ALA C . 18562 1 775 . 1 1 80 80 ALA CA C 13 54.886 0.005 . . . . . . 80 ALA CA . 18562 1 776 . 1 1 80 80 ALA CB C 13 18.704 0.028 . . . . . . 80 ALA CB . 18562 1 777 . 1 1 80 80 ALA N N 15 124.056 0.044 . . . . . . 80 ALA N . 18562 1 778 . 1 1 81 81 LEU H H 1 7.757 0.012 . . . . . . 81 LEU HN . 18562 1 779 . 1 1 81 81 LEU HA H 1 4.341 0.013 . . . . . . 81 LEU HA . 18562 1 780 . 1 1 81 81 LEU HB2 H 1 1.760 0.006 . . . . . . 81 LEU HB2 . 18562 1 781 . 1 1 81 81 LEU HB3 H 1 1.649 0.009 . . . . . . 81 LEU HB3 . 18562 1 782 . 1 1 81 81 LEU HG H 1 1.472 0.003 . . . . . . 81 LEU HG . 18562 1 783 . 1 1 81 81 LEU HD11 H 1 0.667 0.006 . . . . . . 81 LEU HD1 . 18562 1 784 . 1 1 81 81 LEU HD12 H 1 0.667 0.006 . . . . . . 81 LEU HD1 . 18562 1 785 . 1 1 81 81 LEU HD13 H 1 0.667 0.006 . . . . . . 81 LEU HD1 . 18562 1 786 . 1 1 81 81 LEU HD21 H 1 0.601 0.005 . . . . . . 81 LEU HD2 . 18562 1 787 . 1 1 81 81 LEU HD22 H 1 0.601 0.005 . . . . . . 81 LEU HD2 . 18562 1 788 . 1 1 81 81 LEU HD23 H 1 0.601 0.005 . . . . . . 81 LEU HD2 . 18562 1 789 . 1 1 81 81 LEU C C 13 177.762 0.005 . . . . . . 81 LEU C . 18562 1 790 . 1 1 81 81 LEU CA C 13 54.862 0.167 . . . . . . 81 LEU CA . 18562 1 791 . 1 1 81 81 LEU CB C 13 42.192 0.043 . . . . . . 81 LEU CB . 18562 1 792 . 1 1 81 81 LEU CG C 13 25.635 0.000 . . . . . . 81 LEU CG . 18562 1 793 . 1 1 81 81 LEU CD1 C 13 22.733 0.000 . . . . . . 81 LEU CD1 . 18562 1 794 . 1 1 81 81 LEU N N 15 115.023 0.076 . . . . . . 81 LEU N . 18562 1 795 . 1 1 82 82 GLY H H 1 7.673 0.017 . . . . . . 82 GLY HN . 18562 1 796 . 1 1 82 82 GLY HA2 H 1 4.069 0.017 . . . . . . 82 GLY HA2 . 18562 1 797 . 1 1 82 82 GLY HA3 H 1 3.975 0.014 . . . . . . 82 GLY HA3 . 18562 1 798 . 1 1 82 82 GLY C C 13 175.843 0.012 . . . . . . 82 GLY C . 18562 1 799 . 1 1 82 82 GLY CA C 13 46.914 0.119 . . . . . . 82 GLY CA . 18562 1 800 . 1 1 82 82 GLY N N 15 108.027 0.037 . . . . . . 82 GLY N . 18562 1 801 . 1 1 83 83 LEU H H 1 7.836 0.010 . . . . . . 83 LEU HN . 18562 1 802 . 1 1 83 83 LEU HA H 1 4.171 0.009 . . . . . . 83 LEU HA . 18562 1 803 . 1 1 83 83 LEU HB2 H 1 1.660 0.032 . . . . . . 83 LEU HB2 . 18562 1 804 . 1 1 83 83 LEU HD11 H 1 0.665 0.020 . . . . . . 83 LEU HD1 . 18562 1 805 . 1 1 83 83 LEU HD12 H 1 0.665 0.020 . . . . . . 83 LEU HD1 . 18562 1 806 . 1 1 83 83 LEU HD13 H 1 0.665 0.020 . . . . . . 83 LEU HD1 . 18562 1 807 . 1 1 83 83 LEU HD21 H 1 0.638 0.000 . . . . . . 83 LEU HD2 . 18562 1 808 . 1 1 83 83 LEU HD22 H 1 0.638 0.000 . . . . . . 83 LEU HD2 . 18562 1 809 . 1 1 83 83 LEU HD23 H 1 0.638 0.000 . . . . . . 83 LEU HD2 . 18562 1 810 . 1 1 83 83 LEU C C 13 177.782 0.017 . . . . . . 83 LEU C . 18562 1 811 . 1 1 83 83 LEU CA C 13 56.072 0.095 . . . . . . 83 LEU CA . 18562 1 812 . 1 1 83 83 LEU CB C 13 41.875 0.060 . . . . . . 83 LEU CB . 18562 1 813 . 1 1 83 83 LEU CG C 13 25.259 0.000 . . . . . . 83 LEU CG . 18562 1 814 . 1 1 83 83 LEU CD1 C 13 22.646 0.043 . . . . . . 83 LEU CD1 . 18562 1 815 . 1 1 83 83 LEU N N 15 117.747 0.068 . . . . . . 83 LEU N . 18562 1 816 . 1 1 84 84 GLU H H 1 8.606 0.005 . . . . . . 84 GLU HN . 18562 1 817 . 1 1 84 84 GLU HA H 1 4.207 0.009 . . . . . . 84 GLU HA . 18562 1 818 . 1 1 84 84 GLU HB2 H 1 2.127 0.004 . . . . . . 84 GLU HB2 . 18562 1 819 . 1 1 84 84 GLU HB3 H 1 1.850 0.012 . . . . . . 84 GLU HB3 . 18562 1 820 . 1 1 84 84 GLU C C 13 176.559 0.000 . . . . . . 84 GLU C . 18562 1 821 . 1 1 84 84 GLU CA C 13 57.281 0.077 . . . . . . 84 GLU CA . 18562 1 822 . 1 1 84 84 GLU CB C 13 29.926 0.053 . . . . . . 84 GLU CB . 18562 1 823 . 1 1 84 84 GLU N N 15 119.145 0.045 . . . . . . 84 GLU N . 18562 1 stop_ save_