data_15203 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15203 _Entry.Title ; NMR Structure of Clostridium Perfringens Protein CPE0013. Northeast Structural Genomics Target CpR31. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-04-04 _Entry.Accession_date 2007-04-04 _Entry.Last_release_date . _Entry.Original_release_date . _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 . _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 Keyang Ding . . . 15203 2 Theresa Ramelot . A. . 15203 3 Clemens Anklin . . . 15203 4 Huang Wang . . . 15203 5 Chioma Nwosu . . . 15203 6 Kellie Cunningham . . . 15203 7 Li-Chung Ma . . . 15203 8 Rong Xiao . . . 15203 9 Jinfeng Liu . . . 15203 10 Michael Baran . C. . 15203 11 Gurla Swapna . V.T. . 15203 12 Thomas Acton . B. . 15203 13 Burkhard Rost . . . 15203 14 Gaetano Montelione . T. . 15203 15 Michael Kennedy . A. . 15203 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 . 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 15203 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'alpha + beta sandwich' . 15203 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15203 spectral_peak_list 3 15203 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 347 15203 '15N chemical shifts' 80 15203 '1H chemical shifts' 569 15203 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 3 . . 2010-05-26 2007-04-04 update BMRB 'update entity name' 15203 2 . . 2009-06-22 2007-04-04 update BMRB 'added time domain data' 15203 1 . . 2007-05-04 2007-04-04 original author 'original release' 15203 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15203 _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 'NMR structure of Clostridium perfringens protein CPE0013.' _Citation.Status 'in preparation' _Citation.Type journal _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 Keyang Ding . . . 15203 1 2 Theresa Ramelot . A. . 15203 1 3 Huang Wang . . . 15203 1 4 Chioma Nwosu . . . 15203 1 5 Gaetano Montelione . T. . 15203 1 6 Michael Kennedy . A. . 15203 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15203 _Assembly.ID 1 _Assembly.Name 'CPE0013 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CPE0013 1 $entity A . yes native no no . . . 15203 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 15203 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CPE0013 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MHKDIFTSVVRVRGSKKYNV VPVKSNKPVEISKWIDFSNV LSRLYVGVPTKSGNVVCKNI MNTGVDIICTKNLPKDSLEH HHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The full sequence is cloned with his-tag LEHHHHHH added at the C-terminal.' _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 85 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9683.400 _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 2JOV . "Nmr Structure Of Clostridium Perfringens Protein Cpe0013. Northeast Structural Genomics Target Cpr31" . . . . . 100.00 85 100.00 100.00 6.97e-53 . . . . 15203 1 2 no DBJ BAB79719 . "hypothetical protein [Clostridium perfringens str. 13]" . . . . . 90.59 77 100.00 100.00 4.18e-46 . . . . 15203 1 3 no EMBL CUO73046 . "molybdopterin oxidoreductase%2C 4Fe-4S cluster-binding subunit [Clostridium perfringens]" . . . . . 90.59 77 100.00 100.00 4.18e-46 . . . . 15203 1 4 no GB ABG83544 . "conserved hypothetical protein [Clostridium perfringens ATCC 13124]" . . . . . 90.59 77 100.00 100.00 4.18e-46 . . . . 15203 1 5 no GB ABG87799 . "conserved hypothetical protein [Clostridium perfringens SM101]" . . . . . 90.59 77 100.00 100.00 4.18e-46 . . . . 15203 1 6 no GB ALG47387 . "hypothetical protein FORC3_0010 [Clostridium perfringens]" . . . . . 90.59 77 100.00 100.00 4.18e-46 . . . . 15203 1 7 no GB EDS80569 . "conserved hypothetical protein [Clostridium perfringens C str. JGS1495]" . . . . . 90.59 77 100.00 100.00 4.18e-46 . . . . 15203 1 8 no GB EDT15029 . "conserved hypothetical protein [Clostridium perfringens E str. JGS1987]" . . . . . 90.59 77 100.00 100.00 4.18e-46 . . . . 15203 1 9 no REF WP_003450903 . "hypothetical protein [Clostridium perfringens]" . . . . . 90.59 77 100.00 100.00 4.18e-46 . . . . 15203 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 . 15203 1 2 . HIS . 15203 1 3 . LYS . 15203 1 4 . ASP . 15203 1 5 . ILE . 15203 1 6 . PHE . 15203 1 7 . THR . 15203 1 8 . SER . 15203 1 9 . VAL . 15203 1 10 . VAL . 15203 1 11 . ARG . 15203 1 12 . VAL . 15203 1 13 . ARG . 15203 1 14 . GLY . 15203 1 15 . SER . 15203 1 16 . LYS . 15203 1 17 . LYS . 15203 1 18 . TYR . 15203 1 19 . ASN . 15203 1 20 . VAL . 15203 1 21 . VAL . 15203 1 22 . PRO . 15203 1 23 . VAL . 15203 1 24 . LYS . 15203 1 25 . SER . 15203 1 26 . ASN . 15203 1 27 . LYS . 15203 1 28 . PRO . 15203 1 29 . VAL . 15203 1 30 . GLU . 15203 1 31 . ILE . 15203 1 32 . SER . 15203 1 33 . LYS . 15203 1 34 . TRP . 15203 1 35 . ILE . 15203 1 36 . ASP . 15203 1 37 . PHE . 15203 1 38 . SER . 15203 1 39 . ASN . 15203 1 40 . VAL . 15203 1 41 . LEU . 15203 1 42 . SER . 15203 1 43 . ARG . 15203 1 44 . LEU . 15203 1 45 . TYR . 15203 1 46 . VAL . 15203 1 47 . GLY . 15203 1 48 . VAL . 15203 1 49 . PRO . 15203 1 50 . THR . 15203 1 51 . LYS . 15203 1 52 . SER . 15203 1 53 . GLY . 15203 1 54 . ASN . 15203 1 55 . VAL . 15203 1 56 . VAL . 15203 1 57 . CYS . 15203 1 58 . LYS . 15203 1 59 . ASN . 15203 1 60 . ILE . 15203 1 61 . MET . 15203 1 62 . ASN . 15203 1 63 . THR . 15203 1 64 . GLY . 15203 1 65 . VAL . 15203 1 66 . ASP . 15203 1 67 . ILE . 15203 1 68 . ILE . 15203 1 69 . CYS . 15203 1 70 . THR . 15203 1 71 . LYS . 15203 1 72 . ASN . 15203 1 73 . LEU . 15203 1 74 . PRO . 15203 1 75 . LYS . 15203 1 76 . ASP . 15203 1 77 . SER . 15203 1 78 . LEU . 15203 1 79 . GLU . 15203 1 80 . HIS . 15203 1 81 . HIS . 15203 1 82 . HIS . 15203 1 83 . HIS . 15203 1 84 . HIS . 15203 1 85 . HIS . 15203 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 15203 1 . HIS 2 2 15203 1 . LYS 3 3 15203 1 . ASP 4 4 15203 1 . ILE 5 5 15203 1 . PHE 6 6 15203 1 . THR 7 7 15203 1 . SER 8 8 15203 1 . VAL 9 9 15203 1 . VAL 10 10 15203 1 . ARG 11 11 15203 1 . VAL 12 12 15203 1 . ARG 13 13 15203 1 . GLY 14 14 15203 1 . SER 15 15 15203 1 . LYS 16 16 15203 1 . LYS 17 17 15203 1 . TYR 18 18 15203 1 . ASN 19 19 15203 1 . VAL 20 20 15203 1 . VAL 21 21 15203 1 . PRO 22 22 15203 1 . VAL 23 23 15203 1 . LYS 24 24 15203 1 . SER 25 25 15203 1 . ASN 26 26 15203 1 . LYS 27 27 15203 1 . PRO 28 28 15203 1 . VAL 29 29 15203 1 . GLU 30 30 15203 1 . ILE 31 31 15203 1 . SER 32 32 15203 1 . LYS 33 33 15203 1 . TRP 34 34 15203 1 . ILE 35 35 15203 1 . ASP 36 36 15203 1 . PHE 37 37 15203 1 . SER 38 38 15203 1 . ASN 39 39 15203 1 . VAL 40 40 15203 1 . LEU 41 41 15203 1 . SER 42 42 15203 1 . ARG 43 43 15203 1 . LEU 44 44 15203 1 . TYR 45 45 15203 1 . VAL 46 46 15203 1 . GLY 47 47 15203 1 . VAL 48 48 15203 1 . PRO 49 49 15203 1 . THR 50 50 15203 1 . LYS 51 51 15203 1 . SER 52 52 15203 1 . GLY 53 53 15203 1 . ASN 54 54 15203 1 . VAL 55 55 15203 1 . VAL 56 56 15203 1 . CYS 57 57 15203 1 . LYS 58 58 15203 1 . ASN 59 59 15203 1 . ILE 60 60 15203 1 . MET 61 61 15203 1 . ASN 62 62 15203 1 . THR 63 63 15203 1 . GLY 64 64 15203 1 . VAL 65 65 15203 1 . ASP 66 66 15203 1 . ILE 67 67 15203 1 . ILE 68 68 15203 1 . CYS 69 69 15203 1 . THR 70 70 15203 1 . LYS 71 71 15203 1 . ASN 72 72 15203 1 . LEU 73 73 15203 1 . PRO 74 74 15203 1 . LYS 75 75 15203 1 . ASP 76 76 15203 1 . SER 77 77 15203 1 . LEU 78 78 15203 1 . GLU 79 79 15203 1 . HIS 80 80 15203 1 . HIS 81 81 15203 1 . HIS 82 82 15203 1 . HIS 83 83 15203 1 . HIS 84 84 15203 1 . HIS 85 85 15203 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 15203 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 1502 organism . 'Clostridium perfringens' 'Clostridium perfringens' . . Bacteria . Clostridium perfringens . . . . . . . . . . . . . . . . . . . . . 15203 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 15203 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET21 . . . . . . 15203 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15203 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 protein '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 15203 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15203 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 15203 1 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 15203 1 5 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 15203 1 6 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 15203 1 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 15203 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15203 _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 protein '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 15203 2 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15203 2 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 15203 2 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 15203 2 5 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 15203 2 6 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 15203 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15203 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 protein '[U-5% 13C; U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 15203 3 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15203 3 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 15203 3 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 15203 3 5 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 15203 3 6 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 15203 3 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 15203 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15203 _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' 100 1 mM 15203 1 pH 6.5 0.2 pH 15203 1 pressure 1 1 atm 15203 1 temperature 293 1 K 15203 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15203 _Software.ID 1 _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' . . 15203 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15203 1 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15203 _Software.ID 2 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15203 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15203 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 15203 _Software.ID 3 _Software.Name AutoStruct _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Swapana, Rajan, Ke, Xia, Shukla, Inouye and Montelione' . . 15203 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15203 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15203 _Software.ID 4 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15203 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 15203 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15203 _Software.ID 5 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15203 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15203 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 15203 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 15203 _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 . 700 . . . 15203 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 15203 _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' yes 1 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15203 1 2 '3D HNCO' yes 2 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15203 1 3 '3D HNCA' yes 3 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15203 1 4 '3D HN(CO)CA' yes 4 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15203 1 5 '3D CBCA(CO)NH' yes 5 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15203 1 6 '3D HNCACB' yes 6 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15203 1 7 '2D 1H-13C HSQC' yes 7 . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15203 1 8 '2D 1H-13C HSQC' yes 8 . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15203 1 9 '3D HBHA(CO)NH' yes 9 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15203 1 10 '3D HCCH-TOCSY' yes 10 . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15203 1 11 '3D 1H-15N NOESY' yes 11 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15203 1 12 '3D 1H-13C NOESY' yes 12 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15203 1 13 '3D 1H-13C NOESY' yes 13 . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15203 1 stop_ save_ save_NMR_spectrometer_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1 _NMR_spec_expt.Entry_ID 15203 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/HSQC_2D/' . . . . . . . 15203 1 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/HSQC_2D/' . . . . . . . 15203 1 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/HSQC_2D/' . . . . . . . 15203 1 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/HSQC_2D/' . . . . . . . 15203 1 stop_ save_ save_NMR_spectrometer_expt_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_2 _NMR_spec_expt.Entry_ID 15203 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/HNCO_3D/' . . . . . . . 15203 2 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/HNCO_3D/' . . . . . . . 15203 2 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/HNCO_3D/' . . . . . . . 15203 2 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/HNCO_3D/' . . . . . . . 15203 2 stop_ save_ save_NMR_spectrometer_expt_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_3 _NMR_spec_expt.Entry_ID 15203 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/HNCA_3D/' . . . . . . . 15203 3 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/HNCA_3D/' . . . . . . . 15203 3 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/HNCA_3D/' . . . . . . . 15203 3 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/HNCA_3D/' . . . . . . . 15203 3 stop_ save_ save_NMR_spectrometer_expt_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_4 _NMR_spec_expt.Entry_ID 15203 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D HN(CO)CA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/HNCOCA_3D/' . . . . . . . 15203 4 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/HNCOCA_3D/' . . . . . . . 15203 4 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/HNCOCA_3D/' . . . . . . . 15203 4 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/HNCOCA_3D/' . . . . . . . 15203 4 stop_ save_ save_NMR_spectrometer_expt_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_5 _NMR_spec_expt.Entry_ID 15203 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/CBCACONH_3D/' . . . . . . . 15203 5 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/CBCACONH_3D/' . . . . . . . 15203 5 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/CBCACONH_3D/' . . . . . . . 15203 5 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/CBCACONH_3D/' . . . . . . . 15203 5 stop_ save_ save_NMR_spectrometer_expt_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_6 _NMR_spec_expt.Entry_ID 15203 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/HNCACB_3D/' . . . . . . . 15203 6 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/HNCACB_3D/' . . . . . . . 15203 6 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/HNCACB_3D/' . . . . . . . 15203 6 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/HNCACB_3D/' . . . . . . . 15203 6 stop_ save_ save_NMR_spectrometer_expt_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_7 _NMR_spec_expt.Entry_ID 15203 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '2D 1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/CHSQC_2D/' . . . . . . . 15203 7 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/CHSQC_2D/' . . . . . . . 15203 7 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/CHSQC_2D/' . . . . . . . 15203 7 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/CHSQC_2D/' . . . . . . . 15203 7 stop_ save_ save_NMR_spectrometer_expt_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_8 _NMR_spec_expt.Entry_ID 15203 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '2D 1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/CHSQC_NC5_2D/' . . . . . . . 15203 8 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/CHSQC_NC5_2D/' . . . . . . . 15203 8 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/CHSQC_NC5_2D/' . . . . . . . 15203 8 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/CHSQC_NC5_2D/' . . . . . . . 15203 8 stop_ save_ save_NMR_spectrometer_expt_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_9 _NMR_spec_expt.Entry_ID 15203 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D HBHA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/HBHACONH_3D/' . . . . . . . 15203 9 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/HBHACONH_3D/' . . . . . . . 15203 9 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/HBHACONH_3D/' . . . . . . . 15203 9 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/HBHACONH_3D/' . . . . . . . 15203 9 stop_ save_ save_NMR_spectrometer_expt_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_10 _NMR_spec_expt.Entry_ID 15203 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/HCCH_TOCSY_3D/' . . . . . . . 15203 10 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/HCCH_TOCSY_3D/' . . . . . . . 15203 10 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/HCCH_TOCSY_3D/' . . . . . . . 15203 10 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/HCCH_TOCSY_3D/' . . . . . . . 15203 10 stop_ save_ save_NMR_spectrometer_expt_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_11 _NMR_spec_expt.Entry_ID 15203 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D 1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/N15_NOESY_3D/' . . . . . . . 15203 11 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/N15_NOESY_3D/' . . . . . . . 15203 11 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/N15_NOESY_3D/' . . . . . . . 15203 11 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/N15_NOESY_3D/' . . . . . . . 15203 11 stop_ save_ save_NMR_spectrometer_expt_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_12 _NMR_spec_expt.Entry_ID 15203 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D 1H-13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/C13_NOESY_3D/' . . . . . . . 15203 12 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/C13_NOESY_3D/' . . . . . . . 15203 12 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/C13_NOESY_3D/' . . . . . . . 15203 12 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/C13_NOESY_3D/' . . . . . . . 15203 12 stop_ save_ save_NMR_spectrometer_expt_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_13 _NMR_spec_expt.Entry_ID 15203 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '3D 1H-13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/C13_NOESY_D2O_3D/' . . . . . . . 15203 13 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/C13_NOESY_D2O_3D/' . . . . . . . 15203 13 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/C13_NOESY_D2O_3D/' . . . . . . . 15203 13 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15203/timedomain_data/nesg_CpR31_bmrb15203/C13_NOESY_D2O_3D/' . . . . . . . 15203 13 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 15203 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15203 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15203 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15203 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 15203 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 15203 1 2 '3D HNCO' . . . 15203 1 3 '3D HNCA' . . . 15203 1 4 '3D HN(CO)CA' . . . 15203 1 5 '3D CBCA(CO)NH' . . . 15203 1 6 '3D HNCACB' . . . 15203 1 8 '2D 1H-13C HSQC' . . . 15203 1 9 '3D HBHA(CO)NH' . . . 15203 1 10 '3D HCCH-TOCSY' . . . 15203 1 11 '3D 1H-15N NOESY' . . . 15203 1 12 '3D 1H-13C NOESY' . . . 15203 1 13 '3D 1H-13C NOESY' . . . 15203 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 4 $SPARKY . . 15203 1 5 $NMRPipe . . 15203 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 2 2 HIS HA H 1 4.64 0.02 . 1 . . . . 2 HIS HA . 15203 1 2 . 1 1 2 2 HIS HB2 H 1 3.02 0.02 . 2 . . . . 2 HIS HB2 . 15203 1 3 . 1 1 2 2 HIS HB3 H 1 3.05 0.02 . 2 . . . . 2 HIS HB3 . 15203 1 4 . 1 1 2 2 HIS C C 13 173.6 0.2 . 1 . . . . 2 HIS C . 15203 1 5 . 1 1 2 2 HIS CA C 13 56.5 0.2 . 1 . . . . 2 HIS CA . 15203 1 6 . 1 1 2 2 HIS CB C 13 31.0 0.2 . 1 . . . . 2 HIS CB . 15203 1 7 . 1 1 3 3 LYS H H 1 8.16 0.02 . 1 . . . . 3 LYS H . 15203 1 8 . 1 1 3 3 LYS HA H 1 4.66 0.02 . 1 . . . . 3 LYS HA . 15203 1 9 . 1 1 3 3 LYS HB2 H 1 1.28 0.02 . 2 . . . . 3 LYS HB2 . 15203 1 10 . 1 1 3 3 LYS HB3 H 1 1.52 0.02 . 2 . . . . 3 LYS HB3 . 15203 1 11 . 1 1 3 3 LYS HG2 H 1 0.98 0.02 . 1 . . . . 3 LYS HG2 . 15203 1 12 . 1 1 3 3 LYS HG3 H 1 0.98 0.02 . 1 . . . . 3 LYS HG3 . 15203 1 13 . 1 1 3 3 LYS HD2 H 1 1.34 0.02 . 1 . . . . 3 LYS HD2 . 15203 1 14 . 1 1 3 3 LYS HD3 H 1 1.34 0.02 . 1 . . . . 3 LYS HD3 . 15203 1 15 . 1 1 3 3 LYS HE2 H 1 2.88 0.02 . 1 . . . . 3 LYS HE2 . 15203 1 16 . 1 1 3 3 LYS HE3 H 1 2.88 0.02 . 1 . . . . 3 LYS HE3 . 15203 1 17 . 1 1 3 3 LYS C C 13 174.4 0.2 . 1 . . . . 3 LYS C . 15203 1 18 . 1 1 3 3 LYS CA C 13 54.8 0.2 . 1 . . . . 3 LYS CA . 15203 1 19 . 1 1 3 3 LYS CB C 13 35.8 0.2 . 1 . . . . 3 LYS CB . 15203 1 20 . 1 1 3 3 LYS CG C 13 24.9 0.2 . 1 . . . . 3 LYS CG . 15203 1 21 . 1 1 3 3 LYS CD C 13 29.0 0.2 . 1 . . . . 3 LYS CD . 15203 1 22 . 1 1 3 3 LYS CE C 13 42.0 0.2 . 1 . . . . 3 LYS CE . 15203 1 23 . 1 1 3 3 LYS N N 15 121.9 0.2 . 1 . . . . 3 LYS N . 15203 1 24 . 1 1 4 4 ASP H H 1 8.47 0.02 . 1 . . . . 4 ASP H . 15203 1 25 . 1 1 4 4 ASP HA H 1 4.90 0.02 . 1 . . . . 4 ASP HA . 15203 1 26 . 1 1 4 4 ASP HB2 H 1 2.70 0.02 . 2 . . . . 4 ASP HB2 . 15203 1 27 . 1 1 4 4 ASP HB3 H 1 2.86 0.02 . 2 . . . . 4 ASP HB3 . 15203 1 28 . 1 1 4 4 ASP C C 13 176.9 0.2 . 1 . . . . 4 ASP C . 15203 1 29 . 1 1 4 4 ASP CA C 13 52.7 0.2 . 1 . . . . 4 ASP CA . 15203 1 30 . 1 1 4 4 ASP CB C 13 44.1 0.2 . 1 . . . . 4 ASP CB . 15203 1 31 . 1 1 4 4 ASP N N 15 117.9 0.2 . 1 . . . . 4 ASP N . 15203 1 32 . 1 1 5 5 ILE H H 1 9.57 0.02 . 1 . . . . 5 ILE H . 15203 1 33 . 1 1 5 5 ILE HA H 1 3.64 0.02 . 1 . . . . 5 ILE HA . 15203 1 34 . 1 1 5 5 ILE HB H 1 1.92 0.02 . 1 . . . . 5 ILE HB . 15203 1 35 . 1 1 5 5 ILE HG12 H 1 1.36 0.02 . 2 . . . . 5 ILE HG12 . 15203 1 36 . 1 1 5 5 ILE HG13 H 1 1.46 0.02 . 2 . . . . 5 ILE HG13 . 15203 1 37 . 1 1 5 5 ILE HG21 H 1 0.88 0.02 . 1 . . . . 5 ILE HG2 . 15203 1 38 . 1 1 5 5 ILE HG22 H 1 0.88 0.02 . 1 . . . . 5 ILE HG2 . 15203 1 39 . 1 1 5 5 ILE HG23 H 1 0.88 0.02 . 1 . . . . 5 ILE HG2 . 15203 1 40 . 1 1 5 5 ILE HD11 H 1 0.54 0.02 . 1 . . . . 5 ILE HD1 . 15203 1 41 . 1 1 5 5 ILE HD12 H 1 0.54 0.02 . 1 . . . . 5 ILE HD1 . 15203 1 42 . 1 1 5 5 ILE HD13 H 1 0.54 0.02 . 1 . . . . 5 ILE HD1 . 15203 1 43 . 1 1 5 5 ILE C C 13 174.8 0.2 . 1 . . . . 5 ILE C . 15203 1 44 . 1 1 5 5 ILE CA C 13 60.9 0.2 . 1 . . . . 5 ILE CA . 15203 1 45 . 1 1 5 5 ILE CB C 13 37.0 0.2 . 1 . . . . 5 ILE CB . 15203 1 46 . 1 1 5 5 ILE CG1 C 13 26.9 0.2 . 1 . . . . 5 ILE CG1 . 15203 1 47 . 1 1 5 5 ILE CG2 C 13 17.2 0.2 . 1 . . . . 5 ILE CG2 . 15203 1 48 . 1 1 5 5 ILE CD1 C 13 9.6 0.2 . 1 . . . . 5 ILE CD1 . 15203 1 49 . 1 1 5 5 ILE N N 15 124.4 0.2 . 1 . . . . 5 ILE N . 15203 1 50 . 1 1 6 6 PHE H H 1 7.79 0.02 . 1 . . . . 6 PHE H . 15203 1 51 . 1 1 6 6 PHE HA H 1 3.16 0.02 . 1 . . . . 6 PHE HA . 15203 1 52 . 1 1 6 6 PHE HB2 H 1 2.20 0.02 . 2 . . . . 6 PHE HB2 . 15203 1 53 . 1 1 6 6 PHE HB3 H 1 2.30 0.02 . 2 . . . . 6 PHE HB3 . 15203 1 54 . 1 1 6 6 PHE HD1 H 1 6.20 0.02 . 1 . . . . 6 PHE HD1 . 15203 1 55 . 1 1 6 6 PHE HD2 H 1 6.20 0.02 . 1 . . . . 6 PHE HD2 . 15203 1 56 . 1 1 6 6 PHE HE1 H 1 6.99 0.02 . 1 . . . . 6 PHE HE1 . 15203 1 57 . 1 1 6 6 PHE HE2 H 1 6.99 0.02 . 1 . . . . 6 PHE HE2 . 15203 1 58 . 1 1 6 6 PHE C C 13 173.5 0.2 . 1 . . . . 6 PHE C . 15203 1 59 . 1 1 6 6 PHE CA C 13 56.9 0.2 . 1 . . . . 6 PHE CA . 15203 1 60 . 1 1 6 6 PHE CB C 13 40.1 0.2 . 1 . . . . 6 PHE CB . 15203 1 61 . 1 1 6 6 PHE CD1 C 13 131.0 0.02 . 1 . . . . 6 PHE CD1 . 15203 1 62 . 1 1 6 6 PHE CD2 C 13 131.0 0.02 . 1 . . . . 6 PHE CD2 . 15203 1 63 . 1 1 6 6 PHE CE1 C 13 131.0 0.02 . 1 . . . . 6 PHE CE1 . 15203 1 64 . 1 1 6 6 PHE CE2 C 13 131.0 0.02 . 1 . . . . 6 PHE CE2 . 15203 1 65 . 1 1 6 6 PHE N N 15 130.2 0.2 . 1 . . . . 6 PHE N . 15203 1 66 . 1 1 7 7 THR H H 1 6.79 0.02 . 1 . . . . 7 THR H . 15203 1 67 . 1 1 7 7 THR HA H 1 4.53 0.02 . 1 . . . . 7 THR HA . 15203 1 68 . 1 1 7 7 THR HB H 1 3.92 0.02 . 1 . . . . 7 THR HB . 15203 1 69 . 1 1 7 7 THR HG21 H 1 1.00 0.02 . 1 . . . . 7 THR HG2 . 15203 1 70 . 1 1 7 7 THR HG22 H 1 1.00 0.02 . 1 . . . . 7 THR HG2 . 15203 1 71 . 1 1 7 7 THR HG23 H 1 1.00 0.02 . 1 . . . . 7 THR HG2 . 15203 1 72 . 1 1 7 7 THR C C 13 172.3 0.2 . 1 . . . . 7 THR C . 15203 1 73 . 1 1 7 7 THR CA C 13 59.2 0.2 . 1 . . . . 7 THR CA . 15203 1 74 . 1 1 7 7 THR CB C 13 71.0 0.2 . 1 . . . . 7 THR CB . 15203 1 75 . 1 1 7 7 THR CG2 C 13 21.7 0.2 . 1 . . . . 7 THR CG2 . 15203 1 76 . 1 1 7 7 THR N N 15 117.9 0.2 . 1 . . . . 7 THR N . 15203 1 77 . 1 1 8 8 SER H H 1 7.60 0.02 . 1 . . . . 8 SER H . 15203 1 78 . 1 1 8 8 SER HA H 1 4.18 0.02 . 1 . . . . 8 SER HA . 15203 1 79 . 1 1 8 8 SER HB2 H 1 2.81 0.02 . 2 . . . . 8 SER HB2 . 15203 1 80 . 1 1 8 8 SER HB3 H 1 3.44 0.02 . 2 . . . . 8 SER HB3 . 15203 1 81 . 1 1 8 8 SER C C 13 175.3 0.2 . 1 . . . . 8 SER C . 15203 1 82 . 1 1 8 8 SER CA C 13 55.8 0.2 . 1 . . . . 8 SER CA . 15203 1 83 . 1 1 8 8 SER CB C 13 64.0 0.2 . 1 . . . . 8 SER CB . 15203 1 84 . 1 1 8 8 SER N N 15 113.4 0.2 . 1 . . . . 8 SER N . 15203 1 85 . 1 1 9 9 VAL H H 1 8.88 0.02 . 1 . . . . 9 VAL H . 15203 1 86 . 1 1 9 9 VAL HA H 1 5.22 0.02 . 1 . . . . 9 VAL HA . 15203 1 87 . 1 1 9 9 VAL HB H 1 1.79 0.02 . 1 . . . . 9 VAL HB . 15203 1 88 . 1 1 9 9 VAL HG11 H 1 0.71 0.02 . 2 . . . . 9 VAL HG1 . 15203 1 89 . 1 1 9 9 VAL HG12 H 1 0.71 0.02 . 2 . . . . 9 VAL HG1 . 15203 1 90 . 1 1 9 9 VAL HG13 H 1 0.71 0.02 . 2 . . . . 9 VAL HG1 . 15203 1 91 . 1 1 9 9 VAL HG21 H 1 0.71 0.02 . 2 . . . . 9 VAL HG2 . 15203 1 92 . 1 1 9 9 VAL HG22 H 1 0.71 0.02 . 2 . . . . 9 VAL HG2 . 15203 1 93 . 1 1 9 9 VAL HG23 H 1 0.71 0.02 . 2 . . . . 9 VAL HG2 . 15203 1 94 . 1 1 9 9 VAL C C 13 174.0 0.2 . 1 . . . . 9 VAL C . 15203 1 95 . 1 1 9 9 VAL CA C 13 59.1 0.2 . 1 . . . . 9 VAL CA . 15203 1 96 . 1 1 9 9 VAL CB C 13 36.5 0.2 . 1 . . . . 9 VAL CB . 15203 1 97 . 1 1 9 9 VAL CG1 C 13 21.5 0.02 . 2 . . . . 9 VAL CG1 . 15203 1 98 . 1 1 9 9 VAL CG2 C 13 17.7 0.02 . 2 . . . . 9 VAL CG2 . 15203 1 99 . 1 1 9 9 VAL N N 15 114.7 0.2 . 1 . . . . 9 VAL N . 15203 1 100 . 1 1 10 10 VAL H H 1 8.51 0.02 . 1 . . . . 10 VAL H . 15203 1 101 . 1 1 10 10 VAL HA H 1 4.47 0.02 . 1 . . . . 10 VAL HA . 15203 1 102 . 1 1 10 10 VAL HB H 1 1.72 0.02 . 1 . . . . 10 VAL HB . 15203 1 103 . 1 1 10 10 VAL HG11 H 1 0.85 0.02 . 2 . . . . 10 VAL HG1 . 15203 1 104 . 1 1 10 10 VAL HG12 H 1 0.85 0.02 . 2 . . . . 10 VAL HG1 . 15203 1 105 . 1 1 10 10 VAL HG13 H 1 0.85 0.02 . 2 . . . . 10 VAL HG1 . 15203 1 106 . 1 1 10 10 VAL HG21 H 1 0.84 0.02 . 2 . . . . 10 VAL HG2 . 15203 1 107 . 1 1 10 10 VAL HG22 H 1 0.84 0.02 . 2 . . . . 10 VAL HG2 . 15203 1 108 . 1 1 10 10 VAL HG23 H 1 0.84 0.02 . 2 . . . . 10 VAL HG2 . 15203 1 109 . 1 1 10 10 VAL C C 13 173.7 0.2 . 1 . . . . 10 VAL C . 15203 1 110 . 1 1 10 10 VAL CA C 13 59.4 0.2 . 1 . . . . 10 VAL CA . 15203 1 111 . 1 1 10 10 VAL CB C 13 36.0 0.2 . 1 . . . . 10 VAL CB . 15203 1 112 . 1 1 10 10 VAL CG1 C 13 22.0 0.02 . 2 . . . . 10 VAL CG1 . 15203 1 113 . 1 1 10 10 VAL CG2 C 13 22.8 0.02 . 2 . . . . 10 VAL CG2 . 15203 1 114 . 1 1 10 10 VAL N N 15 117.1 0.2 . 1 . . . . 10 VAL N . 15203 1 115 . 1 1 11 11 ARG H H 1 8.50 0.02 . 1 . . . . 11 ARG H . 15203 1 116 . 1 1 11 11 ARG HA H 1 4.46 0.02 . 1 . . . . 11 ARG HA . 15203 1 117 . 1 1 11 11 ARG HB2 H 1 1.78 0.02 . 2 . . . . 11 ARG HB2 . 15203 1 118 . 1 1 11 11 ARG HB3 H 1 1.84 0.02 . 2 . . . . 11 ARG HB3 . 15203 1 119 . 1 1 11 11 ARG HG2 H 1 1.63 0.02 . 1 . . . . 11 ARG HG2 . 15203 1 120 . 1 1 11 11 ARG HG3 H 1 1.63 0.02 . 1 . . . . 11 ARG HG3 . 15203 1 121 . 1 1 11 11 ARG HD2 H 1 3.18 0.02 . 2 . . . . 11 ARG HD2 . 15203 1 122 . 1 1 11 11 ARG HD3 H 1 3.25 0.02 . 2 . . . . 11 ARG HD3 . 15203 1 123 . 1 1 11 11 ARG C C 13 174.5 0.2 . 1 . . . . 11 ARG C . 15203 1 124 . 1 1 11 11 ARG CA C 13 57.4 0.2 . 1 . . . . 11 ARG CA . 15203 1 125 . 1 1 11 11 ARG CB C 13 31.0 0.2 . 1 . . . . 11 ARG CB . 15203 1 126 . 1 1 11 11 ARG CG C 13 27.7 0.2 . 1 . . . . 11 ARG CG . 15203 1 127 . 1 1 11 11 ARG CD C 13 43.4 0.2 . 1 . . . . 11 ARG CD . 15203 1 128 . 1 1 11 11 ARG N N 15 124.8 0.2 . 1 . . . . 11 ARG N . 15203 1 129 . 1 1 12 12 VAL H H 1 7.65 0.02 . 1 . . . . 12 VAL H . 15203 1 130 . 1 1 12 12 VAL HA H 1 4.97 0.02 . 1 . . . . 12 VAL HA . 15203 1 131 . 1 1 12 12 VAL HB H 1 1.38 0.02 . 1 . . . . 12 VAL HB . 15203 1 132 . 1 1 12 12 VAL HG11 H 1 0.69 0.02 . 2 . . . . 12 VAL HG1 . 15203 1 133 . 1 1 12 12 VAL HG12 H 1 0.69 0.02 . 2 . . . . 12 VAL HG1 . 15203 1 134 . 1 1 12 12 VAL HG13 H 1 0.69 0.02 . 2 . . . . 12 VAL HG1 . 15203 1 135 . 1 1 12 12 VAL HG21 H 1 0.54 0.02 . 2 . . . . 12 VAL HG2 . 15203 1 136 . 1 1 12 12 VAL HG22 H 1 0.54 0.02 . 2 . . . . 12 VAL HG2 . 15203 1 137 . 1 1 12 12 VAL HG23 H 1 0.54 0.02 . 2 . . . . 12 VAL HG2 . 15203 1 138 . 1 1 12 12 VAL C C 13 176.7 0.2 . 1 . . . . 12 VAL C . 15203 1 139 . 1 1 12 12 VAL CA C 13 59.4 0.2 . 1 . . . . 12 VAL CA . 15203 1 140 . 1 1 12 12 VAL CB C 13 34.4 0.2 . 1 . . . . 12 VAL CB . 15203 1 141 . 1 1 12 12 VAL CG1 C 13 22.4 0.02 . 2 . . . . 12 VAL CG1 . 15203 1 142 . 1 1 12 12 VAL CG2 C 13 21.8 0.02 . 2 . . . . 12 VAL CG2 . 15203 1 143 . 1 1 12 12 VAL N N 15 120.9 0.2 . 1 . . . . 12 VAL N . 15203 1 144 . 1 1 13 13 ARG H H 1 9.02 0.02 . 1 . . . . 13 ARG H . 15203 1 145 . 1 1 13 13 ARG HA H 1 4.70 0.02 . 1 . . . . 13 ARG HA . 15203 1 146 . 1 1 13 13 ARG HB2 H 1 1.44 0.02 . 2 . . . . 13 ARG HB2 . 15203 1 147 . 1 1 13 13 ARG HB3 H 1 1.61 0.02 . 2 . . . . 13 ARG HB3 . 15203 1 148 . 1 1 13 13 ARG HG2 H 1 1.31 0.02 . 1 . . . . 13 ARG HG2 . 15203 1 149 . 1 1 13 13 ARG HG3 H 1 1.31 0.02 . 1 . . . . 13 ARG HG3 . 15203 1 150 . 1 1 13 13 ARG HD2 H 1 2.46 0.02 . 2 . . . . 13 ARG HD2 . 15203 1 151 . 1 1 13 13 ARG HD3 H 1 2.62 0.02 . 2 . . . . 13 ARG HD3 . 15203 1 152 . 1 1 13 13 ARG C C 13 176.0 0.2 . 1 . . . . 13 ARG C . 15203 1 153 . 1 1 13 13 ARG CA C 13 54.6 0.2 . 1 . . . . 13 ARG CA . 15203 1 154 . 1 1 13 13 ARG CB C 13 32.9 0.2 . 1 . . . . 13 ARG CB . 15203 1 155 . 1 1 13 13 ARG CG C 13 27.1 0.2 . 1 . . . . 13 ARG CG . 15203 1 156 . 1 1 13 13 ARG CD C 13 43.1 0.2 . 1 . . . . 13 ARG CD . 15203 1 157 . 1 1 13 13 ARG N N 15 127.5 0.2 . 1 . . . . 13 ARG N . 15203 1 158 . 1 1 14 14 GLY H H 1 8.64 0.02 . 1 . . . . 14 GLY H . 15203 1 159 . 1 1 14 14 GLY HA2 H 1 3.68 0.02 . 2 . . . . 14 GLY HA2 . 15203 1 160 . 1 1 14 14 GLY HA3 H 1 4.19 0.02 . 2 . . . . 14 GLY HA3 . 15203 1 161 . 1 1 14 14 GLY C C 13 173.7 0.2 . 1 . . . . 14 GLY C . 15203 1 162 . 1 1 14 14 GLY CA C 13 45.6 0.2 . 1 . . . . 14 GLY CA . 15203 1 163 . 1 1 14 14 GLY N N 15 108.8 0.2 . 1 . . . . 14 GLY N . 15203 1 164 . 1 1 15 15 SER H H 1 8.22 0.02 . 1 . . . . 15 SER H . 15203 1 165 . 1 1 15 15 SER HA H 1 5.02 0.02 . 1 . . . . 15 SER HA . 15203 1 166 . 1 1 15 15 SER HB2 H 1 3.71 0.02 . 2 . . . . 15 SER HB2 . 15203 1 167 . 1 1 15 15 SER HB3 H 1 4.10 0.02 . 2 . . . . 15 SER HB3 . 15203 1 168 . 1 1 15 15 SER C C 13 175.4 0.2 . 1 . . . . 15 SER C . 15203 1 169 . 1 1 15 15 SER CA C 13 55.3 0.2 . 1 . . . . 15 SER CA . 15203 1 170 . 1 1 15 15 SER CB C 13 64.9 0.2 . 1 . . . . 15 SER CB . 15203 1 171 . 1 1 15 15 SER N N 15 113.2 0.2 . 1 . . . . 15 SER N . 15203 1 172 . 1 1 16 16 LYS H H 1 9.93 0.02 . 1 . . . . 16 LYS H . 15203 1 173 . 1 1 16 16 LYS HA H 1 4.19 0.02 . 1 . . . . 16 LYS HA . 15203 1 174 . 1 1 16 16 LYS HB2 H 1 1.66 0.02 . 2 . . . . 16 LYS HB2 . 15203 1 175 . 1 1 16 16 LYS HB3 H 1 1.78 0.02 . 2 . . . . 16 LYS HB3 . 15203 1 176 . 1 1 16 16 LYS HG2 H 1 1.40 0.02 . 1 . . . . 16 LYS HG2 . 15203 1 177 . 1 1 16 16 LYS HG3 H 1 1.40 0.02 . 1 . . . . 16 LYS HG3 . 15203 1 178 . 1 1 16 16 LYS HD2 H 1 1.60 0.02 . 1 . . . . 16 LYS HD2 . 15203 1 179 . 1 1 16 16 LYS HD3 H 1 1.60 0.02 . 1 . . . . 16 LYS HD3 . 15203 1 180 . 1 1 16 16 LYS HE2 H 1 2.92 0.02 . 1 . . . . 16 LYS HE2 . 15203 1 181 . 1 1 16 16 LYS HE3 H 1 2.92 0.02 . 1 . . . . 16 LYS HE3 . 15203 1 182 . 1 1 16 16 LYS C C 13 176.5 0.2 . 1 . . . . 16 LYS C . 15203 1 183 . 1 1 16 16 LYS CA C 13 57.3 0.2 . 1 . . . . 16 LYS CA . 15203 1 184 . 1 1 16 16 LYS CB C 13 32.3 0.2 . 1 . . . . 16 LYS CB . 15203 1 185 . 1 1 16 16 LYS CG C 13 25.1 0.2 . 1 . . . . 16 LYS CG . 15203 1 186 . 1 1 16 16 LYS CD C 13 28.9 0.2 . 1 . . . . 16 LYS CD . 15203 1 187 . 1 1 16 16 LYS CE C 13 42.0 0.2 . 1 . . . . 16 LYS CE . 15203 1 188 . 1 1 16 16 LYS N N 15 129.2 0.2 . 1 . . . . 16 LYS N . 15203 1 189 . 1 1 17 17 LYS H H 1 7.96 0.02 . 1 . . . . 17 LYS H . 15203 1 190 . 1 1 17 17 LYS HA H 1 4.03 0.02 . 1 . . . . 17 LYS HA . 15203 1 191 . 1 1 17 17 LYS HB2 H 1 1.03 0.02 . 2 . . . . 17 LYS HB2 . 15203 1 192 . 1 1 17 17 LYS HB3 H 1 1.20 0.02 . 2 . . . . 17 LYS HB3 . 15203 1 193 . 1 1 17 17 LYS HG2 H 1 0.70 0.02 . 2 . . . . 17 LYS HG2 . 15203 1 194 . 1 1 17 17 LYS HG3 H 1 0.95 0.02 . 2 . . . . 17 LYS HG3 . 15203 1 195 . 1 1 17 17 LYS HD2 H 1 1.42 0.02 . 1 . . . . 17 LYS HD2 . 15203 1 196 . 1 1 17 17 LYS HD3 H 1 1.42 0.02 . 1 . . . . 17 LYS HD3 . 15203 1 197 . 1 1 17 17 LYS HE2 H 1 2.81 0.02 . 1 . . . . 17 LYS HE2 . 15203 1 198 . 1 1 17 17 LYS HE3 H 1 2.81 0.02 . 1 . . . . 17 LYS HE3 . 15203 1 199 . 1 1 17 17 LYS C C 13 175.6 0.2 . 1 . . . . 17 LYS C . 15203 1 200 . 1 1 17 17 LYS CA C 13 56.9 0.2 . 1 . . . . 17 LYS CA . 15203 1 201 . 1 1 17 17 LYS CB C 13 34.7 0.2 . 1 . . . . 17 LYS CB . 15203 1 202 . 1 1 17 17 LYS CG C 13 24.8 0.2 . 1 . . . . 17 LYS CG . 15203 1 203 . 1 1 17 17 LYS CD C 13 28.9 0.2 . 1 . . . . 17 LYS CD . 15203 1 204 . 1 1 17 17 LYS CE C 13 42.0 0.2 . 1 . . . . 17 LYS CE . 15203 1 205 . 1 1 17 17 LYS N N 15 118.5 0.2 . 1 . . . . 17 LYS N . 15203 1 206 . 1 1 18 18 TYR H H 1 7.78 0.02 . 1 . . . . 18 TYR H . 15203 1 207 . 1 1 18 18 TYR HA H 1 4.76 0.02 . 1 . . . . 18 TYR HA . 15203 1 208 . 1 1 18 18 TYR HB2 H 1 2.48 0.02 . 2 . . . . 18 TYR HB2 . 15203 1 209 . 1 1 18 18 TYR HB3 H 1 3.00 0.02 . 2 . . . . 18 TYR HB3 . 15203 1 210 . 1 1 18 18 TYR HD1 H 1 7.15 0.02 . 1 . . . . 18 TYR HD1 . 15203 1 211 . 1 1 18 18 TYR HD2 H 1 7.15 0.02 . 1 . . . . 18 TYR HD2 . 15203 1 212 . 1 1 18 18 TYR HE1 H 1 6.79 0.02 . 1 . . . . 18 TYR HE1 . 15203 1 213 . 1 1 18 18 TYR HE2 H 1 6.79 0.02 . 1 . . . . 18 TYR HE2 . 15203 1 214 . 1 1 18 18 TYR C C 13 174.0 0.2 . 1 . . . . 18 TYR C . 15203 1 215 . 1 1 18 18 TYR CA C 13 56.8 0.2 . 1 . . . . 18 TYR CA . 15203 1 216 . 1 1 18 18 TYR CB C 13 41.1 0.2 . 1 . . . . 18 TYR CB . 15203 1 217 . 1 1 18 18 TYR CD1 C 13 134.3 0.02 . 1 . . . . 18 TYR CD1 . 15203 1 218 . 1 1 18 18 TYR CD2 C 13 134.3 0.02 . 1 . . . . 18 TYR CD2 . 15203 1 219 . 1 1 18 18 TYR CE1 C 13 118.4 0.02 . 1 . . . . 18 TYR CE1 . 15203 1 220 . 1 1 18 18 TYR CE2 C 13 118.4 0.02 . 1 . . . . 18 TYR CE2 . 15203 1 221 . 1 1 18 18 TYR N N 15 117.1 0.2 . 1 . . . . 18 TYR N . 15203 1 222 . 1 1 19 19 ASN H H 1 8.89 0.02 . 1 . . . . 19 ASN H . 15203 1 223 . 1 1 19 19 ASN HA H 1 4.96 0.02 . 1 . . . . 19 ASN HA . 15203 1 224 . 1 1 19 19 ASN HB2 H 1 2.85 0.02 . 1 . . . . 19 ASN HB2 . 15203 1 225 . 1 1 19 19 ASN HB3 H 1 2.85 0.02 . 1 . . . . 19 ASN HB3 . 15203 1 226 . 1 1 19 19 ASN HD21 H 1 6.85 0.02 . 2 . . . . 19 ASN HD21 . 15203 1 227 . 1 1 19 19 ASN HD22 H 1 7.53 0.02 . 2 . . . . 19 ASN HD22 . 15203 1 228 . 1 1 19 19 ASN C C 13 176.1 0.2 . 1 . . . . 19 ASN C . 15203 1 229 . 1 1 19 19 ASN CA C 13 53.6 0.2 . 1 . . . . 19 ASN CA . 15203 1 230 . 1 1 19 19 ASN CB C 13 40.3 0.2 . 1 . . . . 19 ASN CB . 15203 1 231 . 1 1 19 19 ASN N N 15 116.6 0.2 . 1 . . . . 19 ASN N . 15203 1 232 . 1 1 19 19 ASN ND2 N 15 112.8 0.2 . 1 . . . . 19 ASN ND2 . 15203 1 233 . 1 1 20 20 VAL H H 1 7.73 0.02 . 1 . . . . 20 VAL H . 15203 1 234 . 1 1 20 20 VAL HA H 1 5.25 0.02 . 1 . . . . 20 VAL HA . 15203 1 235 . 1 1 20 20 VAL HB H 1 1.84 0.02 . 1 . . . . 20 VAL HB . 15203 1 236 . 1 1 20 20 VAL HG11 H 1 0.82 0.02 . 2 . . . . 20 VAL HG1 . 15203 1 237 . 1 1 20 20 VAL HG12 H 1 0.82 0.02 . 2 . . . . 20 VAL HG1 . 15203 1 238 . 1 1 20 20 VAL HG13 H 1 0.82 0.02 . 2 . . . . 20 VAL HG1 . 15203 1 239 . 1 1 20 20 VAL HG21 H 1 0.69 0.02 . 2 . . . . 20 VAL HG2 . 15203 1 240 . 1 1 20 20 VAL HG22 H 1 0.69 0.02 . 2 . . . . 20 VAL HG2 . 15203 1 241 . 1 1 20 20 VAL HG23 H 1 0.69 0.02 . 2 . . . . 20 VAL HG2 . 15203 1 242 . 1 1 20 20 VAL C C 13 173.8 0.2 . 1 . . . . 20 VAL C . 15203 1 243 . 1 1 20 20 VAL CA C 13 59.4 0.2 . 1 . . . . 20 VAL CA . 15203 1 244 . 1 1 20 20 VAL CB C 13 37.6 0.2 . 1 . . . . 20 VAL CB . 15203 1 245 . 1 1 20 20 VAL CG1 C 13 22.2 0.02 . 2 . . . . 20 VAL CG1 . 15203 1 246 . 1 1 20 20 VAL CG2 C 13 17.8 0.02 . 2 . . . . 20 VAL CG2 . 15203 1 247 . 1 1 20 20 VAL N N 15 113.9 0.2 . 1 . . . . 20 VAL N . 15203 1 248 . 1 1 21 21 VAL H H 1 8.89 0.02 . 1 . . . . 21 VAL H . 15203 1 249 . 1 1 21 21 VAL HA H 1 4.84 0.02 . 1 . . . . 21 VAL HA . 15203 1 250 . 1 1 21 21 VAL HB H 1 1.75 0.02 . 1 . . . . 21 VAL HB . 15203 1 251 . 1 1 21 21 VAL HG11 H 1 0.69 0.02 . 2 . . . . 21 VAL HG1 . 15203 1 252 . 1 1 21 21 VAL HG12 H 1 0.69 0.02 . 2 . . . . 21 VAL HG1 . 15203 1 253 . 1 1 21 21 VAL HG13 H 1 0.69 0.02 . 2 . . . . 21 VAL HG1 . 15203 1 254 . 1 1 21 21 VAL HG21 H 1 0.97 0.02 . 2 . . . . 21 VAL HG2 . 15203 1 255 . 1 1 21 21 VAL HG22 H 1 0.97 0.02 . 2 . . . . 21 VAL HG2 . 15203 1 256 . 1 1 21 21 VAL HG23 H 1 0.97 0.02 . 2 . . . . 21 VAL HG2 . 15203 1 257 . 1 1 21 21 VAL CA C 13 56.8 0.2 . 1 . . . . 21 VAL CA . 15203 1 258 . 1 1 21 21 VAL CB C 13 36.0 0.2 . 1 . . . . 21 VAL CB . 15203 1 259 . 1 1 21 21 VAL CG1 C 13 20.0 0.02 . 2 . . . . 21 VAL CG1 . 15203 1 260 . 1 1 21 21 VAL CG2 C 13 23.2 0.02 . 2 . . . . 21 VAL CG2 . 15203 1 261 . 1 1 21 21 VAL N N 15 118.5 0.2 . 1 . . . . 21 VAL N . 15203 1 262 . 1 1 22 22 PRO HA H 1 4.94 0.02 . 1 . . . . 22 PRO HA . 15203 1 263 . 1 1 22 22 PRO HB2 H 1 1.97 0.02 . 2 . . . . 22 PRO HB2 . 15203 1 264 . 1 1 22 22 PRO HB3 H 1 2.12 0.02 . 2 . . . . 22 PRO HB3 . 15203 1 265 . 1 1 22 22 PRO HG2 H 1 1.72 0.02 . 2 . . . . 22 PRO HG2 . 15203 1 266 . 1 1 22 22 PRO HG3 H 1 1.90 0.02 . 2 . . . . 22 PRO HG3 . 15203 1 267 . 1 1 22 22 PRO HD2 H 1 3.40 0.02 . 2 . . . . 22 PRO HD2 . 15203 1 268 . 1 1 22 22 PRO HD3 H 1 3.65 0.02 . 2 . . . . 22 PRO HD3 . 15203 1 269 . 1 1 22 22 PRO C C 13 175.6 0.2 . 1 . . . . 22 PRO C . 15203 1 270 . 1 1 22 22 PRO CA C 13 62.7 0.2 . 1 . . . . 22 PRO CA . 15203 1 271 . 1 1 22 22 PRO CB C 13 31.8 0.2 . 1 . . . . 22 PRO CB . 15203 1 272 . 1 1 22 22 PRO CG C 13 27.8 0.2 . 1 . . . . 22 PRO CG . 15203 1 273 . 1 1 22 22 PRO CD C 13 51.9 0.2 . 1 . . . . 22 PRO CD . 15203 1 274 . 1 1 23 23 VAL H H 1 8.06 0.02 . 1 . . . . 23 VAL H . 15203 1 275 . 1 1 23 23 VAL HA H 1 5.39 0.02 . 1 . . . . 23 VAL HA . 15203 1 276 . 1 1 23 23 VAL HB H 1 1.85 0.02 . 1 . . . . 23 VAL HB . 15203 1 277 . 1 1 23 23 VAL HG11 H 1 0.71 0.02 . 2 . . . . 23 VAL HG1 . 15203 1 278 . 1 1 23 23 VAL HG12 H 1 0.71 0.02 . 2 . . . . 23 VAL HG1 . 15203 1 279 . 1 1 23 23 VAL HG13 H 1 0.71 0.02 . 2 . . . . 23 VAL HG1 . 15203 1 280 . 1 1 23 23 VAL HG21 H 1 0.24 0.02 . 2 . . . . 23 VAL HG2 . 15203 1 281 . 1 1 23 23 VAL HG22 H 1 0.24 0.02 . 2 . . . . 23 VAL HG2 . 15203 1 282 . 1 1 23 23 VAL HG23 H 1 0.24 0.02 . 2 . . . . 23 VAL HG2 . 15203 1 283 . 1 1 23 23 VAL C C 13 175.4 0.2 . 1 . . . . 23 VAL C . 15203 1 284 . 1 1 23 23 VAL CA C 13 57.8 0.2 . 1 . . . . 23 VAL CA . 15203 1 285 . 1 1 23 23 VAL CB C 13 36.3 0.2 . 1 . . . . 23 VAL CB . 15203 1 286 . 1 1 23 23 VAL CG1 C 13 22.4 0.02 . 2 . . . . 23 VAL CG1 . 15203 1 287 . 1 1 23 23 VAL CG2 C 13 18.5 0.02 . 2 . . . . 23 VAL CG2 . 15203 1 288 . 1 1 23 23 VAL N N 15 110.9 0.2 . 1 . . . . 23 VAL N . 15203 1 289 . 1 1 24 24 LYS H H 1 8.96 0.02 . 1 . . . . 24 LYS H . 15203 1 290 . 1 1 24 24 LYS HA H 1 5.60 0.02 . 1 . . . . 24 LYS HA . 15203 1 291 . 1 1 24 24 LYS HB2 H 1 1.64 0.02 . 2 . . . . 24 LYS HB2 . 15203 1 292 . 1 1 24 24 LYS HB3 H 1 1.74 0.02 . 2 . . . . 24 LYS HB3 . 15203 1 293 . 1 1 24 24 LYS HG2 H 1 0.97 0.02 . 2 . . . . 24 LYS HG2 . 15203 1 294 . 1 1 24 24 LYS HG3 H 1 1.05 0.02 . 2 . . . . 24 LYS HG3 . 15203 1 295 . 1 1 24 24 LYS HD2 H 1 1.47 0.02 . 1 . . . . 24 LYS HD2 . 15203 1 296 . 1 1 24 24 LYS HD3 H 1 1.47 0.02 . 1 . . . . 24 LYS HD3 . 15203 1 297 . 1 1 24 24 LYS HE2 H 1 2.74 0.02 . 2 . . . . 24 LYS HE2 . 15203 1 298 . 1 1 24 24 LYS HE3 H 1 2.82 0.02 . 2 . . . . 24 LYS HE3 . 15203 1 299 . 1 1 24 24 LYS C C 13 175.6 0.2 . 1 . . . . 24 LYS C . 15203 1 300 . 1 1 24 24 LYS CA C 13 54.2 0.2 . 1 . . . . 24 LYS CA . 15203 1 301 . 1 1 24 24 LYS CB C 13 37.0 0.2 . 1 . . . . 24 LYS CB . 15203 1 302 . 1 1 24 24 LYS CG C 13 23.4 0.2 . 1 . . . . 24 LYS CG . 15203 1 303 . 1 1 24 24 LYS CD C 13 29.8 0.2 . 1 . . . . 24 LYS CD . 15203 1 304 . 1 1 24 24 LYS CE C 13 42.2 0.2 . 1 . . . . 24 LYS CE . 15203 1 305 . 1 1 24 24 LYS N N 15 117.9 0.2 . 1 . . . . 24 LYS N . 15203 1 306 . 1 1 25 25 SER H H 1 8.95 0.02 . 1 . . . . 25 SER H . 15203 1 307 . 1 1 25 25 SER HA H 1 5.19 0.02 . 1 . . . . 25 SER HA . 15203 1 308 . 1 1 25 25 SER HB2 H 1 3.85 0.02 . 2 . . . . 25 SER HB2 . 15203 1 309 . 1 1 25 25 SER HB3 H 1 4.46 0.02 . 2 . . . . 25 SER HB3 . 15203 1 310 . 1 1 25 25 SER C C 13 173.8 0.2 . 1 . . . . 25 SER C . 15203 1 311 . 1 1 25 25 SER CA C 13 57.7 0.2 . 1 . . . . 25 SER CA . 15203 1 312 . 1 1 25 25 SER CB C 13 65.1 0.2 . 1 . . . . 25 SER CB . 15203 1 313 . 1 1 25 25 SER N N 15 114.6 0.2 . 1 . . . . 25 SER N . 15203 1 314 . 1 1 26 26 ASN H H 1 9.02 0.02 . 1 . . . . 26 ASN H . 15203 1 315 . 1 1 26 26 ASN HA H 1 4.37 0.02 . 1 . . . . 26 ASN HA . 15203 1 316 . 1 1 26 26 ASN HB2 H 1 2.49 0.02 . 2 . . . . 26 ASN HB2 . 15203 1 317 . 1 1 26 26 ASN HB3 H 1 3.26 0.02 . 2 . . . . 26 ASN HB3 . 15203 1 318 . 1 1 26 26 ASN HD21 H 1 7.47 0.02 . 2 . . . . 26 ASN HD21 . 15203 1 319 . 1 1 26 26 ASN HD22 H 1 7.58 0.02 . 2 . . . . 26 ASN HD22 . 15203 1 320 . 1 1 26 26 ASN C C 13 173.5 0.2 . 1 . . . . 26 ASN C . 15203 1 321 . 1 1 26 26 ASN CA C 13 53.7 0.2 . 1 . . . . 26 ASN CA . 15203 1 322 . 1 1 26 26 ASN CB C 13 37.1 0.2 . 1 . . . . 26 ASN CB . 15203 1 323 . 1 1 26 26 ASN N N 15 118.3 0.2 . 1 . . . . 26 ASN N . 15203 1 324 . 1 1 26 26 ASN ND2 N 15 112.9 0.2 . 1 . . . . 26 ASN ND2 . 15203 1 325 . 1 1 27 27 LYS H H 1 7.40 0.02 . 1 . . . . 27 LYS H . 15203 1 326 . 1 1 27 27 LYS HA H 1 4.78 0.02 . 1 . . . . 27 LYS HA . 15203 1 327 . 1 1 27 27 LYS HB2 H 1 1.59 0.02 . 2 . . . . 27 LYS HB2 . 15203 1 328 . 1 1 27 27 LYS HB3 H 1 1.95 0.02 . 2 . . . . 27 LYS HB3 . 15203 1 329 . 1 1 27 27 LYS HG2 H 1 1.36 0.02 . 2 . . . . 27 LYS HG2 . 15203 1 330 . 1 1 27 27 LYS HG3 H 1 1.44 0.02 . 2 . . . . 27 LYS HG3 . 15203 1 331 . 1 1 27 27 LYS HD2 H 1 1.66 0.02 . 1 . . . . 27 LYS HD2 . 15203 1 332 . 1 1 27 27 LYS HD3 H 1 1.66 0.02 . 1 . . . . 27 LYS HD3 . 15203 1 333 . 1 1 27 27 LYS HE2 H 1 2.95 0.02 . 1 . . . . 27 LYS HE2 . 15203 1 334 . 1 1 27 27 LYS HE3 H 1 2.95 0.02 . 1 . . . . 27 LYS HE3 . 15203 1 335 . 1 1 27 27 LYS CA C 13 53.5 0.2 . 1 . . . . 27 LYS CA . 15203 1 336 . 1 1 27 27 LYS CB C 13 34.1 0.2 . 1 . . . . 27 LYS CB . 15203 1 337 . 1 1 27 27 LYS CG C 13 23.7 0.2 . 1 . . . . 27 LYS CG . 15203 1 338 . 1 1 27 27 LYS CD C 13 29.3 0.2 . 1 . . . . 27 LYS CD . 15203 1 339 . 1 1 27 27 LYS CE C 13 42.3 0.2 . 1 . . . . 27 LYS CE . 15203 1 340 . 1 1 27 27 LYS N N 15 116.6 0.2 . 1 . . . . 27 LYS N . 15203 1 341 . 1 1 28 28 PRO HA H 1 4.04 0.02 . 1 . . . . 28 PRO HA . 15203 1 342 . 1 1 28 28 PRO HB2 H 1 1.60 0.02 . 2 . . . . 28 PRO HB2 . 15203 1 343 . 1 1 28 28 PRO HB3 H 1 1.92 0.02 . 2 . . . . 28 PRO HB3 . 15203 1 344 . 1 1 28 28 PRO HG2 H 1 1.87 0.02 . 2 . . . . 28 PRO HG2 . 15203 1 345 . 1 1 28 28 PRO HG3 H 1 2.06 0.02 . 2 . . . . 28 PRO HG3 . 15203 1 346 . 1 1 28 28 PRO HD2 H 1 3.59 0.02 . 2 . . . . 28 PRO HD2 . 15203 1 347 . 1 1 28 28 PRO HD3 H 1 3.81 0.02 . 2 . . . . 28 PRO HD3 . 15203 1 348 . 1 1 28 28 PRO C C 13 174.5 0.2 . 1 . . . . 28 PRO C . 15203 1 349 . 1 1 28 28 PRO CA C 13 63.2 0.2 . 1 . . . . 28 PRO CA . 15203 1 350 . 1 1 28 28 PRO CB C 13 32.5 0.2 . 1 . . . . 28 PRO CB . 15203 1 351 . 1 1 28 28 PRO CG C 13 27.9 0.2 . 1 . . . . 28 PRO CG . 15203 1 352 . 1 1 28 28 PRO CD C 13 50.8 0.2 . 1 . . . . 28 PRO CD . 15203 1 353 . 1 1 29 29 VAL H H 1 8.86 0.02 . 1 . . . . 29 VAL H . 15203 1 354 . 1 1 29 29 VAL HA H 1 4.42 0.02 . 1 . . . . 29 VAL HA . 15203 1 355 . 1 1 29 29 VAL HB H 1 2.08 0.02 . 1 . . . . 29 VAL HB . 15203 1 356 . 1 1 29 29 VAL HG11 H 1 1.03 0.02 . 2 . . . . 29 VAL HG1 . 15203 1 357 . 1 1 29 29 VAL HG12 H 1 1.03 0.02 . 2 . . . . 29 VAL HG1 . 15203 1 358 . 1 1 29 29 VAL HG13 H 1 1.03 0.02 . 2 . . . . 29 VAL HG1 . 15203 1 359 . 1 1 29 29 VAL HG21 H 1 1.18 0.02 . 2 . . . . 29 VAL HG2 . 15203 1 360 . 1 1 29 29 VAL HG22 H 1 1.18 0.02 . 2 . . . . 29 VAL HG2 . 15203 1 361 . 1 1 29 29 VAL HG23 H 1 1.18 0.02 . 2 . . . . 29 VAL HG2 . 15203 1 362 . 1 1 29 29 VAL C C 13 174.8 0.2 . 1 . . . . 29 VAL C . 15203 1 363 . 1 1 29 29 VAL CA C 13 60.3 0.2 . 1 . . . . 29 VAL CA . 15203 1 364 . 1 1 29 29 VAL CB C 13 36.4 0.2 . 1 . . . . 29 VAL CB . 15203 1 365 . 1 1 29 29 VAL CG1 C 13 21.4 0.02 . 2 . . . . 29 VAL CG1 . 15203 1 366 . 1 1 29 29 VAL CG2 C 13 21.7 0.02 . 2 . . . . 29 VAL CG2 . 15203 1 367 . 1 1 29 29 VAL N N 15 119.8 0.2 . 1 . . . . 29 VAL N . 15203 1 368 . 1 1 30 30 GLU H H 1 9.55 0.02 . 1 . . . . 30 GLU H . 15203 1 369 . 1 1 30 30 GLU HA H 1 4.26 0.02 . 1 . . . . 30 GLU HA . 15203 1 370 . 1 1 30 30 GLU HB2 H 1 1.85 0.02 . 2 . . . . 30 GLU HB2 . 15203 1 371 . 1 1 30 30 GLU HB3 H 1 1.99 0.02 . 2 . . . . 30 GLU HB3 . 15203 1 372 . 1 1 30 30 GLU HG2 H 1 2.25 0.02 . 2 . . . . 30 GLU HG2 . 15203 1 373 . 1 1 30 30 GLU HG3 H 1 2.35 0.02 . 2 . . . . 30 GLU HG3 . 15203 1 374 . 1 1 30 30 GLU C C 13 177.8 0.2 . 1 . . . . 30 GLU C . 15203 1 375 . 1 1 30 30 GLU CA C 13 58.0 0.2 . 1 . . . . 30 GLU CA . 15203 1 376 . 1 1 30 30 GLU CB C 13 29.7 0.2 . 1 . . . . 30 GLU CB . 15203 1 377 . 1 1 30 30 GLU CG C 13 37.2 0.2 . 1 . . . . 30 GLU CG . 15203 1 378 . 1 1 30 30 GLU N N 15 128.9 0.2 . 1 . . . . 30 GLU N . 15203 1 379 . 1 1 31 31 ILE H H 1 7.91 0.02 . 1 . . . . 31 ILE H . 15203 1 380 . 1 1 31 31 ILE HA H 1 2.12 0.02 . 1 . . . . 31 ILE HA . 15203 1 381 . 1 1 31 31 ILE HB H 1 1.09 0.02 . 1 . . . . 31 ILE HB . 15203 1 382 . 1 1 31 31 ILE HG12 H 1 0.57 0.02 . 2 . . . . 31 ILE HG12 . 15203 1 383 . 1 1 31 31 ILE HG13 H 1 0.74 0.02 . 2 . . . . 31 ILE HG13 . 15203 1 384 . 1 1 31 31 ILE HG21 H 1 0.22 0.02 . 1 . . . . 31 ILE HG2 . 15203 1 385 . 1 1 31 31 ILE HG22 H 1 0.22 0.02 . 1 . . . . 31 ILE HG2 . 15203 1 386 . 1 1 31 31 ILE HG23 H 1 0.22 0.02 . 1 . . . . 31 ILE HG2 . 15203 1 387 . 1 1 31 31 ILE HD11 H 1 0.35 0.02 . 1 . . . . 31 ILE HD1 . 15203 1 388 . 1 1 31 31 ILE HD12 H 1 0.35 0.02 . 1 . . . . 31 ILE HD1 . 15203 1 389 . 1 1 31 31 ILE HD13 H 1 0.35 0.02 . 1 . . . . 31 ILE HD1 . 15203 1 390 . 1 1 31 31 ILE C C 13 178.0 0.2 . 1 . . . . 31 ILE C . 15203 1 391 . 1 1 31 31 ILE CA C 13 63.5 0.2 . 1 . . . . 31 ILE CA . 15203 1 392 . 1 1 31 31 ILE CB C 13 37.2 0.2 . 1 . . . . 31 ILE CB . 15203 1 393 . 1 1 31 31 ILE CG1 C 13 27.7 0.2 . 1 . . . . 31 ILE CG1 . 15203 1 394 . 1 1 31 31 ILE CG2 C 13 17.4 0.2 . 1 . . . . 31 ILE CG2 . 15203 1 395 . 1 1 31 31 ILE CD1 C 13 13.4 0.2 . 1 . . . . 31 ILE CD1 . 15203 1 396 . 1 1 31 31 ILE N N 15 122.5 0.2 . 1 . . . . 31 ILE N . 15203 1 397 . 1 1 32 32 SER H H 1 7.94 0.02 . 1 . . . . 32 SER H . 15203 1 398 . 1 1 32 32 SER HA H 1 4.07 0.02 . 1 . . . . 32 SER HA . 15203 1 399 . 1 1 32 32 SER HB2 H 1 3.82 0.02 . 2 . . . . 32 SER HB2 . 15203 1 400 . 1 1 32 32 SER HB3 H 1 3.93 0.02 . 2 . . . . 32 SER HB3 . 15203 1 401 . 1 1 32 32 SER C C 13 175.8 0.2 . 1 . . . . 32 SER C . 15203 1 402 . 1 1 32 32 SER CA C 13 60.2 0.2 . 1 . . . . 32 SER CA . 15203 1 403 . 1 1 32 32 SER CB C 13 62.1 0.2 . 1 . . . . 32 SER CB . 15203 1 404 . 1 1 32 32 SER N N 15 115.3 0.2 . 1 . . . . 32 SER N . 15203 1 405 . 1 1 33 33 LYS H H 1 7.64 0.02 . 1 . . . . 33 LYS H . 15203 1 406 . 1 1 33 33 LYS HA H 1 4.40 0.02 . 1 . . . . 33 LYS HA . 15203 1 407 . 1 1 33 33 LYS HB2 H 1 1.35 0.02 . 2 . . . . 33 LYS HB2 . 15203 1 408 . 1 1 33 33 LYS HB3 H 1 1.42 0.02 . 2 . . . . 33 LYS HB3 . 15203 1 409 . 1 1 33 33 LYS HG2 H 1 1.33 0.02 . 1 . . . . 33 LYS HG2 . 15203 1 410 . 1 1 33 33 LYS HG3 H 1 1.33 0.02 . 1 . . . . 33 LYS HG3 . 15203 1 411 . 1 1 33 33 LYS HD2 H 1 1.63 0.02 . 1 . . . . 33 LYS HD2 . 15203 1 412 . 1 1 33 33 LYS HD3 H 1 1.63 0.02 . 1 . . . . 33 LYS HD3 . 15203 1 413 . 1 1 33 33 LYS HE2 H 1 2.93 0.02 . 1 . . . . 33 LYS HE2 . 15203 1 414 . 1 1 33 33 LYS HE3 H 1 2.93 0.02 . 1 . . . . 33 LYS HE3 . 15203 1 415 . 1 1 33 33 LYS C C 13 176.6 0.2 . 1 . . . . 33 LYS C . 15203 1 416 . 1 1 33 33 LYS CA C 13 56.2 0.2 . 1 . . . . 33 LYS CA . 15203 1 417 . 1 1 33 33 LYS CB C 13 32.7 0.2 . 1 . . . . 33 LYS CB . 15203 1 418 . 1 1 33 33 LYS CG C 13 25.7 0.2 . 1 . . . . 33 LYS CG . 15203 1 419 . 1 1 33 33 LYS CD C 13 28.9 0.2 . 1 . . . . 33 LYS CD . 15203 1 420 . 1 1 33 33 LYS CE C 13 42.4 0.2 . 1 . . . . 33 LYS CE . 15203 1 421 . 1 1 33 33 LYS N N 15 119.8 0.2 . 1 . . . . 33 LYS N . 15203 1 422 . 1 1 34 34 TRP H H 1 7.86 0.02 . 1 . . . . 34 TRP H . 15203 1 423 . 1 1 34 34 TRP HA H 1 3.87 0.02 . 1 . . . . 34 TRP HA . 15203 1 424 . 1 1 34 34 TRP HB2 H 1 3.43 0.02 . 2 . . . . 34 TRP HB2 . 15203 1 425 . 1 1 34 34 TRP HB3 H 1 3.52 0.02 . 2 . . . . 34 TRP HB3 . 15203 1 426 . 1 1 34 34 TRP C C 13 178.6 0.2 . 1 . . . . 34 TRP C . 15203 1 427 . 1 1 34 34 TRP CA C 13 60.2 0.2 . 1 . . . . 34 TRP CA . 15203 1 428 . 1 1 34 34 TRP CB C 13 28.5 0.2 . 1 . . . . 34 TRP CB . 15203 1 429 . 1 1 34 34 TRP N N 15 120.0 0.2 . 1 . . . . 34 TRP N . 15203 1 430 . 1 1 35 35 ILE H H 1 8.20 0.02 . 1 . . . . 35 ILE H . 15203 1 431 . 1 1 35 35 ILE HA H 1 3.99 0.02 . 1 . . . . 35 ILE HA . 15203 1 432 . 1 1 35 35 ILE HB H 1 1.93 0.02 . 1 . . . . 35 ILE HB . 15203 1 433 . 1 1 35 35 ILE HG12 H 1 1.28 0.02 . 2 . . . . 35 ILE HG12 . 15203 1 434 . 1 1 35 35 ILE HG13 H 1 1.60 0.02 . 2 . . . . 35 ILE HG13 . 15203 1 435 . 1 1 35 35 ILE HG21 H 1 0.92 0.02 . 1 . . . . 35 ILE HG2 . 15203 1 436 . 1 1 35 35 ILE HG22 H 1 0.92 0.02 . 1 . . . . 35 ILE HG2 . 15203 1 437 . 1 1 35 35 ILE HG23 H 1 0.92 0.02 . 1 . . . . 35 ILE HG2 . 15203 1 438 . 1 1 35 35 ILE HD11 H 1 0.90 0.02 . 1 . . . . 35 ILE HD1 . 15203 1 439 . 1 1 35 35 ILE HD12 H 1 0.90 0.02 . 1 . . . . 35 ILE HD1 . 15203 1 440 . 1 1 35 35 ILE HD13 H 1 0.90 0.02 . 1 . . . . 35 ILE HD1 . 15203 1 441 . 1 1 35 35 ILE C C 13 177.9 0.2 . 1 . . . . 35 ILE C . 15203 1 442 . 1 1 35 35 ILE CA C 13 64.3 0.2 . 1 . . . . 35 ILE CA . 15203 1 443 . 1 1 35 35 ILE CB C 13 37.2 0.2 . 1 . . . . 35 ILE CB . 15203 1 444 . 1 1 35 35 ILE CG1 C 13 29.0 0.2 . 1 . . . . 35 ILE CG1 . 15203 1 445 . 1 1 35 35 ILE CG2 C 13 17.2 0.2 . 1 . . . . 35 ILE CG2 . 15203 1 446 . 1 1 35 35 ILE CD1 C 13 13.0 0.2 . 1 . . . . 35 ILE CD1 . 15203 1 447 . 1 1 35 35 ILE N N 15 119.5 0.2 . 1 . . . . 35 ILE N . 15203 1 448 . 1 1 36 36 ASP H H 1 7.68 0.02 . 1 . . . . 36 ASP H . 15203 1 449 . 1 1 36 36 ASP HA H 1 4.49 0.02 . 1 . . . . 36 ASP HA . 15203 1 450 . 1 1 36 36 ASP HB2 H 1 2.73 0.02 . 1 . . . . 36 ASP HB2 . 15203 1 451 . 1 1 36 36 ASP HB3 H 1 2.73 0.02 . 1 . . . . 36 ASP HB3 . 15203 1 452 . 1 1 36 36 ASP C C 13 179.2 0.2 . 1 . . . . 36 ASP C . 15203 1 453 . 1 1 36 36 ASP CA C 13 57.5 0.2 . 1 . . . . 36 ASP CA . 15203 1 454 . 1 1 36 36 ASP CB C 13 40.4 0.2 . 1 . . . . 36 ASP CB . 15203 1 455 . 1 1 36 36 ASP N N 15 122.0 0.2 . 1 . . . . 36 ASP N . 15203 1 456 . 1 1 37 37 PHE H H 1 8.45 0.02 . 1 . . . . 37 PHE H . 15203 1 457 . 1 1 37 37 PHE HA H 1 4.08 0.02 . 1 . . . . 37 PHE HA . 15203 1 458 . 1 1 37 37 PHE HB2 H 1 2.02 0.02 . 2 . . . . 37 PHE HB2 . 15203 1 459 . 1 1 37 37 PHE HB3 H 1 2.82 0.02 . 2 . . . . 37 PHE HB3 . 15203 1 460 . 1 1 37 37 PHE HD1 H 1 6.33 0.02 . 1 . . . . 37 PHE HD1 . 15203 1 461 . 1 1 37 37 PHE HD2 H 1 6.33 0.02 . 1 . . . . 37 PHE HD2 . 15203 1 462 . 1 1 37 37 PHE HE1 H 1 6.96 0.02 . 1 . . . . 37 PHE HE1 . 15203 1 463 . 1 1 37 37 PHE HE2 H 1 6.96 0.02 . 1 . . . . 37 PHE HE2 . 15203 1 464 . 1 1 37 37 PHE HZ H 1 7.07 0.02 . 1 . . . . 37 PHE HZ . 15203 1 465 . 1 1 37 37 PHE C C 13 178.3 0.2 . 1 . . . . 37 PHE C . 15203 1 466 . 1 1 37 37 PHE CA C 13 58.6 0.2 . 1 . . . . 37 PHE CA . 15203 1 467 . 1 1 37 37 PHE CB C 13 37.0 0.2 . 1 . . . . 37 PHE CB . 15203 1 468 . 1 1 37 37 PHE CD1 C 13 129.2 0.02 . 1 . . . . 37 PHE CD1 . 15203 1 469 . 1 1 37 37 PHE CD2 C 13 129.2 0.02 . 1 . . . . 37 PHE CD2 . 15203 1 470 . 1 1 37 37 PHE CE1 C 13 130.9 0.02 . 1 . . . . 37 PHE CE1 . 15203 1 471 . 1 1 37 37 PHE CE2 C 13 130.9 0.02 . 1 . . . . 37 PHE CE2 . 15203 1 472 . 1 1 37 37 PHE CZ C 13 129.2 0.2 . 1 . . . . 37 PHE CZ . 15203 1 473 . 1 1 37 37 PHE N N 15 119.8 0.2 . 1 . . . . 37 PHE N . 15203 1 474 . 1 1 38 38 SER H H 1 8.58 0.02 . 1 . . . . 38 SER H . 15203 1 475 . 1 1 38 38 SER HA H 1 4.25 0.02 . 1 . . . . 38 SER HA . 15203 1 476 . 1 1 38 38 SER HB2 H 1 4.13 0.02 . 2 . . . . 38 SER HB2 . 15203 1 477 . 1 1 38 38 SER HB3 H 1 4.25 0.02 . 2 . . . . 38 SER HB3 . 15203 1 478 . 1 1 38 38 SER C C 13 176.8 0.2 . 1 . . . . 38 SER C . 15203 1 479 . 1 1 38 38 SER CA C 13 62.7 0.2 . 1 . . . . 38 SER CA . 15203 1 480 . 1 1 38 38 SER CB C 13 62.7 0.2 . 1 . . . . 38 SER CB . 15203 1 481 . 1 1 38 38 SER N N 15 115.8 0.2 . 1 . . . . 38 SER N . 15203 1 482 . 1 1 39 39 ASN H H 1 8.19 0.02 . 1 . . . . 39 ASN H . 15203 1 483 . 1 1 39 39 ASN HA H 1 4.54 0.02 . 1 . . . . 39 ASN HA . 15203 1 484 . 1 1 39 39 ASN HB2 H 1 2.93 0.02 . 2 . . . . 39 ASN HB2 . 15203 1 485 . 1 1 39 39 ASN HB3 H 1 3.09 0.02 . 2 . . . . 39 ASN HB3 . 15203 1 486 . 1 1 39 39 ASN HD21 H 1 6.93 0.02 . 2 . . . . 39 ASN HD21 . 15203 1 487 . 1 1 39 39 ASN HD22 H 1 7.86 0.02 . 2 . . . . 39 ASN HD22 . 15203 1 488 . 1 1 39 39 ASN C C 13 178.5 0.2 . 1 . . . . 39 ASN C . 15203 1 489 . 1 1 39 39 ASN CA C 13 56.2 0.2 . 1 . . . . 39 ASN CA . 15203 1 490 . 1 1 39 39 ASN CB C 13 37.9 0.2 . 1 . . . . 39 ASN CB . 15203 1 491 . 1 1 39 39 ASN N N 15 121.3 0.2 . 1 . . . . 39 ASN N . 15203 1 492 . 1 1 39 39 ASN ND2 N 15 113.0 0.2 . 1 . . . . 39 ASN ND2 . 15203 1 493 . 1 1 40 40 VAL H H 1 7.84 0.02 . 1 . . . . 40 VAL H . 15203 1 494 . 1 1 40 40 VAL HA H 1 3.65 0.02 . 1 . . . . 40 VAL HA . 15203 1 495 . 1 1 40 40 VAL HB H 1 2.18 0.02 . 1 . . . . 40 VAL HB . 15203 1 496 . 1 1 40 40 VAL HG11 H 1 0.85 0.02 . 2 . . . . 40 VAL HG1 . 15203 1 497 . 1 1 40 40 VAL HG12 H 1 0.85 0.02 . 2 . . . . 40 VAL HG1 . 15203 1 498 . 1 1 40 40 VAL HG13 H 1 0.85 0.02 . 2 . . . . 40 VAL HG1 . 15203 1 499 . 1 1 40 40 VAL HG21 H 1 1.07 0.02 . 2 . . . . 40 VAL HG2 . 15203 1 500 . 1 1 40 40 VAL HG22 H 1 1.07 0.02 . 2 . . . . 40 VAL HG2 . 15203 1 501 . 1 1 40 40 VAL HG23 H 1 1.07 0.02 . 2 . . . . 40 VAL HG2 . 15203 1 502 . 1 1 40 40 VAL C C 13 179.0 0.2 . 1 . . . . 40 VAL C . 15203 1 503 . 1 1 40 40 VAL CA C 13 66.6 0.2 . 1 . . . . 40 VAL CA . 15203 1 504 . 1 1 40 40 VAL CB C 13 32.1 0.2 . 1 . . . . 40 VAL CB . 15203 1 505 . 1 1 40 40 VAL CG1 C 13 21.1 0.02 . 2 . . . . 40 VAL CG1 . 15203 1 506 . 1 1 40 40 VAL CG2 C 13 22.7 0.02 . 2 . . . . 40 VAL CG2 . 15203 1 507 . 1 1 40 40 VAL N N 15 121.8 0.2 . 1 . . . . 40 VAL N . 15203 1 508 . 1 1 41 41 LEU H H 1 8.21 0.02 . 1 . . . . 41 LEU H . 15203 1 509 . 1 1 41 41 LEU HA H 1 3.84 0.02 . 1 . . . . 41 LEU HA . 15203 1 510 . 1 1 41 41 LEU HB2 H 1 1.60 0.02 . 2 . . . . 41 LEU HB2 . 15203 1 511 . 1 1 41 41 LEU HB3 H 1 1.95 0.02 . 2 . . . . 41 LEU HB3 . 15203 1 512 . 1 1 41 41 LEU HG H 1 1.79 0.02 . 1 . . . . 41 LEU HG . 15203 1 513 . 1 1 41 41 LEU HD11 H 1 0.83 0.02 . 2 . . . . 41 LEU HD1 . 15203 1 514 . 1 1 41 41 LEU HD12 H 1 0.83 0.02 . 2 . . . . 41 LEU HD1 . 15203 1 515 . 1 1 41 41 LEU HD13 H 1 0.83 0.02 . 2 . . . . 41 LEU HD1 . 15203 1 516 . 1 1 41 41 LEU HD21 H 1 0.68 0.02 . 2 . . . . 41 LEU HD2 . 15203 1 517 . 1 1 41 41 LEU HD22 H 1 0.68 0.02 . 2 . . . . 41 LEU HD2 . 15203 1 518 . 1 1 41 41 LEU HD23 H 1 0.68 0.02 . 2 . . . . 41 LEU HD2 . 15203 1 519 . 1 1 41 41 LEU C C 13 178.8 0.2 . 1 . . . . 41 LEU C . 15203 1 520 . 1 1 41 41 LEU CA C 13 57.4 0.2 . 1 . . . . 41 LEU CA . 15203 1 521 . 1 1 41 41 LEU CB C 13 41.2 0.2 . 1 . . . . 41 LEU CB . 15203 1 522 . 1 1 41 41 LEU CG C 13 27.0 0.2 . 1 . . . . 41 LEU CG . 15203 1 523 . 1 1 41 41 LEU CD1 C 13 26.7 0.02 . 2 . . . . 41 LEU CD1 . 15203 1 524 . 1 1 41 41 LEU CD2 C 13 23.4 0.02 . 2 . . . . 41 LEU CD2 . 15203 1 525 . 1 1 41 41 LEU N N 15 117.7 0.2 . 1 . . . . 41 LEU N . 15203 1 526 . 1 1 42 42 SER H H 1 7.98 0.02 . 1 . . . . 42 SER H . 15203 1 527 . 1 1 42 42 SER HA H 1 4.26 0.02 . 1 . . . . 42 SER HA . 15203 1 528 . 1 1 42 42 SER HB2 H 1 4.05 0.02 . 2 . . . . 42 SER HB2 . 15203 1 529 . 1 1 42 42 SER HB3 H 1 4.15 0.02 . 2 . . . . 42 SER HB3 . 15203 1 530 . 1 1 42 42 SER C C 13 174.9 0.2 . 1 . . . . 42 SER C . 15203 1 531 . 1 1 42 42 SER CA C 13 61.2 0.2 . 1 . . . . 42 SER CA . 15203 1 532 . 1 1 42 42 SER CB C 13 63.1 0.2 . 1 . . . . 42 SER CB . 15203 1 533 . 1 1 42 42 SER N N 15 113.2 0.2 . 1 . . . . 42 SER N . 15203 1 534 . 1 1 43 43 ARG H H 1 7.10 0.02 . 1 . . . . 43 ARG H . 15203 1 535 . 1 1 43 43 ARG HA H 1 4.50 0.02 . 1 . . . . 43 ARG HA . 15203 1 536 . 1 1 43 43 ARG HB2 H 1 1.76 0.02 . 2 . . . . 43 ARG HB2 . 15203 1 537 . 1 1 43 43 ARG HB3 H 1 2.13 0.02 . 2 . . . . 43 ARG HB3 . 15203 1 538 . 1 1 43 43 ARG HG2 H 1 1.66 0.02 . 1 . . . . 43 ARG HG2 . 15203 1 539 . 1 1 43 43 ARG HG3 H 1 1.66 0.02 . 1 . . . . 43 ARG HG3 . 15203 1 540 . 1 1 43 43 ARG HD2 H 1 3.22 0.02 . 1 . . . . 43 ARG HD2 . 15203 1 541 . 1 1 43 43 ARG HD3 H 1 3.22 0.02 . 1 . . . . 43 ARG HD3 . 15203 1 542 . 1 1 43 43 ARG C C 13 175.8 0.2 . 1 . . . . 43 ARG C . 15203 1 543 . 1 1 43 43 ARG CA C 13 55.6 0.2 . 1 . . . . 43 ARG CA . 15203 1 544 . 1 1 43 43 ARG CB C 13 30.8 0.2 . 1 . . . . 43 ARG CB . 15203 1 545 . 1 1 43 43 ARG CG C 13 27.6 0.2 . 1 . . . . 43 ARG CG . 15203 1 546 . 1 1 43 43 ARG CD C 13 43.4 0.2 . 1 . . . . 43 ARG CD . 15203 1 547 . 1 1 43 43 ARG N N 15 118.4 0.2 . 1 . . . . 43 ARG N . 15203 1 548 . 1 1 44 44 LEU H H 1 7.61 0.02 . 1 . . . . 44 LEU H . 15203 1 549 . 1 1 44 44 LEU HA H 1 4.59 0.02 . 1 . . . . 44 LEU HA . 15203 1 550 . 1 1 44 44 LEU HB2 H 1 1.42 0.02 . 2 . . . . 44 LEU HB2 . 15203 1 551 . 1 1 44 44 LEU HB3 H 1 1.71 0.02 . 2 . . . . 44 LEU HB3 . 15203 1 552 . 1 1 44 44 LEU HG H 1 1.80 0.02 . 1 . . . . 44 LEU HG . 15203 1 553 . 1 1 44 44 LEU HD11 H 1 0.77 0.02 . 2 . . . . 44 LEU HD1 . 15203 1 554 . 1 1 44 44 LEU HD12 H 1 0.77 0.02 . 2 . . . . 44 LEU HD1 . 15203 1 555 . 1 1 44 44 LEU HD13 H 1 0.77 0.02 . 2 . . . . 44 LEU HD1 . 15203 1 556 . 1 1 44 44 LEU HD21 H 1 0.77 0.02 . 2 . . . . 44 LEU HD2 . 15203 1 557 . 1 1 44 44 LEU HD22 H 1 0.77 0.02 . 2 . . . . 44 LEU HD2 . 15203 1 558 . 1 1 44 44 LEU HD23 H 1 0.77 0.02 . 2 . . . . 44 LEU HD2 . 15203 1 559 . 1 1 44 44 LEU C C 13 175.3 0.2 . 1 . . . . 44 LEU C . 15203 1 560 . 1 1 44 44 LEU CA C 13 53.9 0.2 . 1 . . . . 44 LEU CA . 15203 1 561 . 1 1 44 44 LEU CB C 13 44.1 0.2 . 1 . . . . 44 LEU CB . 15203 1 562 . 1 1 44 44 LEU CG C 13 26.5 0.2 . 1 . . . . 44 LEU CG . 15203 1 563 . 1 1 44 44 LEU CD1 C 13 25.5 0.02 . 2 . . . . 44 LEU CD1 . 15203 1 564 . 1 1 44 44 LEU CD2 C 13 22.9 0.02 . 2 . . . . 44 LEU CD2 . 15203 1 565 . 1 1 44 44 LEU N N 15 120.4 0.2 . 1 . . . . 44 LEU N . 15203 1 566 . 1 1 45 45 TYR H H 1 7.63 0.02 . 1 . . . . 45 TYR H . 15203 1 567 . 1 1 45 45 TYR HA H 1 5.18 0.02 . 1 . . . . 45 TYR HA . 15203 1 568 . 1 1 45 45 TYR HB2 H 1 2.61 0.02 . 2 . . . . 45 TYR HB2 . 15203 1 569 . 1 1 45 45 TYR HB3 H 1 2.76 0.02 . 2 . . . . 45 TYR HB3 . 15203 1 570 . 1 1 45 45 TYR HD1 H 1 6.74 0.02 . 1 . . . . 45 TYR HD1 . 15203 1 571 . 1 1 45 45 TYR HD2 H 1 6.74 0.02 . 1 . . . . 45 TYR HD2 . 15203 1 572 . 1 1 45 45 TYR HE1 H 1 6.69 0.02 . 1 . . . . 45 TYR HE1 . 15203 1 573 . 1 1 45 45 TYR HE2 H 1 6.69 0.02 . 1 . . . . 45 TYR HE2 . 15203 1 574 . 1 1 45 45 TYR C C 13 174.6 0.2 . 1 . . . . 45 TYR C . 15203 1 575 . 1 1 45 45 TYR CA C 13 56.3 0.2 . 1 . . . . 45 TYR CA . 15203 1 576 . 1 1 45 45 TYR CB C 13 41.4 0.2 . 1 . . . . 45 TYR CB . 15203 1 577 . 1 1 45 45 TYR CD1 C 13 133.3 0.02 . 1 . . . . 45 TYR CD1 . 15203 1 578 . 1 1 45 45 TYR CD2 C 13 133.3 0.02 . 1 . . . . 45 TYR CD2 . 15203 1 579 . 1 1 45 45 TYR CE1 C 13 117.9 0.02 . 1 . . . . 45 TYR CE1 . 15203 1 580 . 1 1 45 45 TYR CE2 C 13 117.9 0.02 . 1 . . . . 45 TYR CE2 . 15203 1 581 . 1 1 45 45 TYR N N 15 115.3 0.2 . 1 . . . . 45 TYR N . 15203 1 582 . 1 1 46 46 VAL H H 1 8.77 0.02 . 1 . . . . 46 VAL H . 15203 1 583 . 1 1 46 46 VAL HA H 1 4.54 0.02 . 1 . . . . 46 VAL HA . 15203 1 584 . 1 1 46 46 VAL HB H 1 2.16 0.02 . 1 . . . . 46 VAL HB . 15203 1 585 . 1 1 46 46 VAL HG11 H 1 0.84 0.02 . 2 . . . . 46 VAL HG1 . 15203 1 586 . 1 1 46 46 VAL HG12 H 1 0.84 0.02 . 2 . . . . 46 VAL HG1 . 15203 1 587 . 1 1 46 46 VAL HG13 H 1 0.84 0.02 . 2 . . . . 46 VAL HG1 . 15203 1 588 . 1 1 46 46 VAL HG21 H 1 0.72 0.02 . 2 . . . . 46 VAL HG2 . 15203 1 589 . 1 1 46 46 VAL HG22 H 1 0.72 0.02 . 2 . . . . 46 VAL HG2 . 15203 1 590 . 1 1 46 46 VAL HG23 H 1 0.72 0.02 . 2 . . . . 46 VAL HG2 . 15203 1 591 . 1 1 46 46 VAL C C 13 174.6 0.2 . 1 . . . . 46 VAL C . 15203 1 592 . 1 1 46 46 VAL CA C 13 59.6 0.2 . 1 . . . . 46 VAL CA . 15203 1 593 . 1 1 46 46 VAL CB C 13 34.7 0.2 . 1 . . . . 46 VAL CB . 15203 1 594 . 1 1 46 46 VAL CG1 C 13 22.1 0.02 . 2 . . . . 46 VAL CG1 . 15203 1 595 . 1 1 46 46 VAL CG2 C 13 20.4 0.02 . 2 . . . . 46 VAL CG2 . 15203 1 596 . 1 1 46 46 VAL N N 15 115.4 0.2 . 1 . . . . 46 VAL N . 15203 1 597 . 1 1 47 47 GLY H H 1 8.28 0.02 . 1 . . . . 47 GLY H . 15203 1 598 . 1 1 47 47 GLY HA2 H 1 3.61 0.02 . 2 . . . . 47 GLY HA2 . 15203 1 599 . 1 1 47 47 GLY HA3 H 1 4.97 0.02 . 2 . . . . 47 GLY HA3 . 15203 1 600 . 1 1 47 47 GLY C C 13 173.1 0.2 . 1 . . . . 47 GLY C . 15203 1 601 . 1 1 47 47 GLY CA C 13 43.6 0.2 . 1 . . . . 47 GLY CA . 15203 1 602 . 1 1 47 47 GLY N N 15 109.9 0.2 . 1 . . . . 47 GLY N . 15203 1 603 . 1 1 48 48 VAL H H 1 7.63 0.02 . 1 . . . . 48 VAL H . 15203 1 604 . 1 1 48 48 VAL HA H 1 4.32 0.02 . 1 . . . . 48 VAL HA . 15203 1 605 . 1 1 48 48 VAL HB H 1 1.79 0.02 . 1 . . . . 48 VAL HB . 15203 1 606 . 1 1 48 48 VAL HG11 H 1 0.84 0.02 . 2 . . . . 48 VAL HG1 . 15203 1 607 . 1 1 48 48 VAL HG12 H 1 0.84 0.02 . 2 . . . . 48 VAL HG1 . 15203 1 608 . 1 1 48 48 VAL HG13 H 1 0.84 0.02 . 2 . . . . 48 VAL HG1 . 15203 1 609 . 1 1 48 48 VAL HG21 H 1 0.98 0.02 . 2 . . . . 48 VAL HG2 . 15203 1 610 . 1 1 48 48 VAL HG22 H 1 0.98 0.02 . 2 . . . . 48 VAL HG2 . 15203 1 611 . 1 1 48 48 VAL HG23 H 1 0.98 0.02 . 2 . . . . 48 VAL HG2 . 15203 1 612 . 1 1 48 48 VAL CA C 13 58.7 0.2 . 1 . . . . 48 VAL CA . 15203 1 613 . 1 1 48 48 VAL CB C 13 32.1 0.2 . 1 . . . . 48 VAL CB . 15203 1 614 . 1 1 48 48 VAL CG1 C 13 23.4 0.02 . 2 . . . . 48 VAL CG1 . 15203 1 615 . 1 1 48 48 VAL CG2 C 13 21.6 0.02 . 2 . . . . 48 VAL CG2 . 15203 1 616 . 1 1 48 48 VAL N N 15 109.9 0.2 . 1 . . . . 48 VAL N . 15203 1 617 . 1 1 49 49 PRO HA H 1 4.80 0.02 . 1 . . . . 49 PRO HA . 15203 1 618 . 1 1 49 49 PRO HB2 H 1 2.09 0.02 . 2 . . . . 49 PRO HB2 . 15203 1 619 . 1 1 49 49 PRO HB3 H 1 2.42 0.02 . 2 . . . . 49 PRO HB3 . 15203 1 620 . 1 1 49 49 PRO HG2 H 1 1.95 0.02 . 2 . . . . 49 PRO HG2 . 15203 1 621 . 1 1 49 49 PRO HG3 H 1 1.90 0.02 . 2 . . . . 49 PRO HG3 . 15203 1 622 . 1 1 49 49 PRO HD2 H 1 3.34 0.02 . 2 . . . . 49 PRO HD2 . 15203 1 623 . 1 1 49 49 PRO HD3 H 1 3.70 0.02 . 2 . . . . 49 PRO HD3 . 15203 1 624 . 1 1 49 49 PRO C C 13 176.7 0.2 . 1 . . . . 49 PRO C . 15203 1 625 . 1 1 49 49 PRO CA C 13 62.3 0.2 . 1 . . . . 49 PRO CA . 15203 1 626 . 1 1 49 49 PRO CB C 13 35.4 0.2 . 1 . . . . 49 PRO CB . 15203 1 627 . 1 1 49 49 PRO CG C 13 24.4 0.2 . 1 . . . . 49 PRO CG . 15203 1 628 . 1 1 49 49 PRO CD C 13 50.6 0.2 . 1 . . . . 49 PRO CD . 15203 1 629 . 1 1 50 50 THR H H 1 8.79 0.02 . 1 . . . . 50 THR H . 15203 1 630 . 1 1 50 50 THR HA H 1 4.69 0.02 . 1 . . . . 50 THR HA . 15203 1 631 . 1 1 50 50 THR HB H 1 4.41 0.02 . 1 . . . . 50 THR HB . 15203 1 632 . 1 1 50 50 THR HG21 H 1 1.06 0.02 . 1 . . . . 50 THR HG2 . 15203 1 633 . 1 1 50 50 THR HG22 H 1 1.06 0.02 . 1 . . . . 50 THR HG2 . 15203 1 634 . 1 1 50 50 THR HG23 H 1 1.06 0.02 . 1 . . . . 50 THR HG2 . 15203 1 635 . 1 1 50 50 THR C C 13 173.5 0.2 . 1 . . . . 50 THR C . 15203 1 636 . 1 1 50 50 THR CA C 13 60.8 0.2 . 1 . . . . 50 THR CA . 15203 1 637 . 1 1 50 50 THR CB C 13 70.8 0.2 . 1 . . . . 50 THR CB . 15203 1 638 . 1 1 50 50 THR CG2 C 13 21.7 0.2 . 1 . . . . 50 THR CG2 . 15203 1 639 . 1 1 50 50 THR N N 15 113.5 0.2 . 1 . . . . 50 THR N . 15203 1 640 . 1 1 51 51 LYS H H 1 7.81 0.02 . 1 . . . . 51 LYS H . 15203 1 641 . 1 1 51 51 LYS HA H 1 4.89 0.02 . 1 . . . . 51 LYS HA . 15203 1 642 . 1 1 51 51 LYS HB2 H 1 1.46 0.02 . 2 . . . . 51 LYS HB2 . 15203 1 643 . 1 1 51 51 LYS HB3 H 1 1.62 0.02 . 2 . . . . 51 LYS HB3 . 15203 1 644 . 1 1 51 51 LYS HG2 H 1 1.28 0.02 . 1 . . . . 51 LYS HG2 . 15203 1 645 . 1 1 51 51 LYS HG3 H 1 1.28 0.02 . 1 . . . . 51 LYS HG3 . 15203 1 646 . 1 1 51 51 LYS HD2 H 1 1.62 0.02 . 1 . . . . 51 LYS HD2 . 15203 1 647 . 1 1 51 51 LYS HD3 H 1 1.62 0.02 . 1 . . . . 51 LYS HD3 . 15203 1 648 . 1 1 51 51 LYS HE2 H 1 2.92 0.02 . 1 . . . . 51 LYS HE2 . 15203 1 649 . 1 1 51 51 LYS HE3 H 1 2.92 0.02 . 1 . . . . 51 LYS HE3 . 15203 1 650 . 1 1 51 51 LYS C C 13 175.9 0.2 . 1 . . . . 51 LYS C . 15203 1 651 . 1 1 51 51 LYS CA C 13 54.1 0.2 . 1 . . . . 51 LYS CA . 15203 1 652 . 1 1 51 51 LYS CB C 13 35.3 0.2 . 1 . . . . 51 LYS CB . 15203 1 653 . 1 1 51 51 LYS CG C 13 24.6 0.2 . 1 . . . . 51 LYS CG . 15203 1 654 . 1 1 51 51 LYS CD C 13 29.1 0.2 . 1 . . . . 51 LYS CD . 15203 1 655 . 1 1 51 51 LYS CE C 13 42.1 0.2 . 1 . . . . 51 LYS CE . 15203 1 656 . 1 1 51 51 LYS N N 15 122.2 0.2 . 1 . . . . 51 LYS N . 15203 1 657 . 1 1 52 52 SER H H 1 8.41 0.02 . 1 . . . . 52 SER H . 15203 1 658 . 1 1 52 52 SER HA H 1 3.63 0.02 . 1 . . . . 52 SER HA . 15203 1 659 . 1 1 52 52 SER HB2 H 1 3.34 0.02 . 2 . . . . 52 SER HB2 . 15203 1 660 . 1 1 52 52 SER HB3 H 1 3.57 0.02 . 2 . . . . 52 SER HB3 . 15203 1 661 . 1 1 52 52 SER C C 13 175.8 0.2 . 1 . . . . 52 SER C . 15203 1 662 . 1 1 52 52 SER CA C 13 58.8 0.2 . 1 . . . . 52 SER CA . 15203 1 663 . 1 1 52 52 SER CB C 13 62.6 0.2 . 1 . . . . 52 SER CB . 15203 1 664 . 1 1 52 52 SER N N 15 118.9 0.2 . 1 . . . . 52 SER N . 15203 1 665 . 1 1 53 53 GLY H H 1 9.07 0.02 . 1 . . . . 53 GLY H . 15203 1 666 . 1 1 53 53 GLY HA2 H 1 3.39 0.02 . 2 . . . . 53 GLY HA2 . 15203 1 667 . 1 1 53 53 GLY HA3 H 1 4.46 0.02 . 2 . . . . 53 GLY HA3 . 15203 1 668 . 1 1 53 53 GLY C C 13 174.1 0.2 . 1 . . . . 53 GLY C . 15203 1 669 . 1 1 53 53 GLY CA C 13 44.8 0.2 . 1 . . . . 53 GLY CA . 15203 1 670 . 1 1 53 53 GLY N N 15 115.6 0.2 . 1 . . . . 53 GLY N . 15203 1 671 . 1 1 54 54 ASN H H 1 7.87 0.02 . 1 . . . . 54 ASN H . 15203 1 672 . 1 1 54 54 ASN HA H 1 4.57 0.02 . 1 . . . . 54 ASN HA . 15203 1 673 . 1 1 54 54 ASN HB2 H 1 2.71 0.02 . 2 . . . . 54 ASN HB2 . 15203 1 674 . 1 1 54 54 ASN HB3 H 1 2.97 0.02 . 2 . . . . 54 ASN HB3 . 15203 1 675 . 1 1 54 54 ASN HD21 H 1 6.97 0.02 . 2 . . . . 54 ASN HD21 . 15203 1 676 . 1 1 54 54 ASN HD22 H 1 7.69 0.02 . 2 . . . . 54 ASN HD22 . 15203 1 677 . 1 1 54 54 ASN C C 13 175.5 0.2 . 1 . . . . 54 ASN C . 15203 1 678 . 1 1 54 54 ASN CA C 13 53.0 0.2 . 1 . . . . 54 ASN CA . 15203 1 679 . 1 1 54 54 ASN CB C 13 38.6 0.2 . 1 . . . . 54 ASN CB . 15203 1 680 . 1 1 54 54 ASN N N 15 119.6 0.2 . 1 . . . . 54 ASN N . 15203 1 681 . 1 1 54 54 ASN ND2 N 15 110.5 0.2 . 1 . . . . 54 ASN ND2 . 15203 1 682 . 1 1 55 55 VAL H H 1 8.77 0.02 . 1 . . . . 55 VAL H . 15203 1 683 . 1 1 55 55 VAL HA H 1 3.88 0.02 . 1 . . . . 55 VAL HA . 15203 1 684 . 1 1 55 55 VAL HB H 1 1.97 0.02 . 1 . . . . 55 VAL HB . 15203 1 685 . 1 1 55 55 VAL HG11 H 1 0.67 0.02 . 2 . . . . 55 VAL HG1 . 15203 1 686 . 1 1 55 55 VAL HG12 H 1 0.67 0.02 . 2 . . . . 55 VAL HG1 . 15203 1 687 . 1 1 55 55 VAL HG13 H 1 0.67 0.02 . 2 . . . . 55 VAL HG1 . 15203 1 688 . 1 1 55 55 VAL HG21 H 1 0.93 0.02 . 2 . . . . 55 VAL HG2 . 15203 1 689 . 1 1 55 55 VAL HG22 H 1 0.93 0.02 . 2 . . . . 55 VAL HG2 . 15203 1 690 . 1 1 55 55 VAL HG23 H 1 0.93 0.02 . 2 . . . . 55 VAL HG2 . 15203 1 691 . 1 1 55 55 VAL C C 13 176.2 0.2 . 1 . . . . 55 VAL C . 15203 1 692 . 1 1 55 55 VAL CA C 13 63.7 0.2 . 1 . . . . 55 VAL CA . 15203 1 693 . 1 1 55 55 VAL CB C 13 31.6 0.2 . 1 . . . . 55 VAL CB . 15203 1 694 . 1 1 55 55 VAL CG1 C 13 21.6 0.02 . 2 . . . . 55 VAL CG1 . 15203 1 695 . 1 1 55 55 VAL CG2 C 13 21.9 0.02 . 2 . . . . 55 VAL CG2 . 15203 1 696 . 1 1 55 55 VAL N N 15 123.9 0.2 . 1 . . . . 55 VAL N . 15203 1 697 . 1 1 56 56 VAL H H 1 9.05 0.02 . 1 . . . . 56 VAL H . 15203 1 698 . 1 1 56 56 VAL HA H 1 3.99 0.02 . 1 . . . . 56 VAL HA . 15203 1 699 . 1 1 56 56 VAL HB H 1 1.58 0.02 . 1 . . . . 56 VAL HB . 15203 1 700 . 1 1 56 56 VAL HG11 H 1 0.74 0.02 . 2 . . . . 56 VAL HG1 . 15203 1 701 . 1 1 56 56 VAL HG12 H 1 0.74 0.02 . 2 . . . . 56 VAL HG1 . 15203 1 702 . 1 1 56 56 VAL HG13 H 1 0.74 0.02 . 2 . . . . 56 VAL HG1 . 15203 1 703 . 1 1 56 56 VAL HG21 H 1 0.74 0.02 . 2 . . . . 56 VAL HG2 . 15203 1 704 . 1 1 56 56 VAL HG22 H 1 0.74 0.02 . 2 . . . . 56 VAL HG2 . 15203 1 705 . 1 1 56 56 VAL HG23 H 1 0.74 0.02 . 2 . . . . 56 VAL HG2 . 15203 1 706 . 1 1 56 56 VAL C C 13 175.2 0.2 . 1 . . . . 56 VAL C . 15203 1 707 . 1 1 56 56 VAL CA C 13 62.7 0.2 . 1 . . . . 56 VAL CA . 15203 1 708 . 1 1 56 56 VAL CB C 13 32.9 0.2 . 1 . . . . 56 VAL CB . 15203 1 709 . 1 1 56 56 VAL CG1 C 13 21.4 0.02 . 1 . . . . 56 VAL CG1 . 15203 1 710 . 1 1 56 56 VAL CG2 C 13 21.4 0.02 . 1 . . . . 56 VAL CG2 . 15203 1 711 . 1 1 56 56 VAL N N 15 127.5 0.2 . 1 . . . . 56 VAL N . 15203 1 712 . 1 1 57 57 CYS H H 1 7.25 0.02 . 1 . . . . 57 CYS H . 15203 1 713 . 1 1 57 57 CYS HA H 1 4.37 0.02 . 1 . . . . 57 CYS HA . 15203 1 714 . 1 1 57 57 CYS HB2 H 1 2.28 0.02 . 1 . . . . 57 CYS HB2 . 15203 1 715 . 1 1 57 57 CYS HB3 H 1 2.28 0.02 . 1 . . . . 57 CYS HB3 . 15203 1 716 . 1 1 57 57 CYS C C 13 171.9 0.2 . 1 . . . . 57 CYS C . 15203 1 717 . 1 1 57 57 CYS CA C 13 58.6 0.2 . 1 . . . . 57 CYS CA . 15203 1 718 . 1 1 57 57 CYS CB C 13 28.6 0.2 . 1 . . . . 57 CYS CB . 15203 1 719 . 1 1 57 57 CYS N N 15 117.6 0.2 . 1 . . . . 57 CYS N . 15203 1 720 . 1 1 58 58 LYS H H 1 8.88 0.02 . 1 . . . . 58 LYS H . 15203 1 721 . 1 1 58 58 LYS HA H 1 4.22 0.02 . 1 . . . . 58 LYS HA . 15203 1 722 . 1 1 58 58 LYS HB2 H 1 1.48 0.02 . 2 . . . . 58 LYS HB2 . 15203 1 723 . 1 1 58 58 LYS HB3 H 1 1.71 0.02 . 2 . . . . 58 LYS HB3 . 15203 1 724 . 1 1 58 58 LYS HG2 H 1 1.26 0.02 . 1 . . . . 58 LYS HG2 . 15203 1 725 . 1 1 58 58 LYS HG3 H 1 1.26 0.02 . 1 . . . . 58 LYS HG3 . 15203 1 726 . 1 1 58 58 LYS HD2 H 1 1.59 0.02 . 2 . . . . 58 LYS HD2 . 15203 1 727 . 1 1 58 58 LYS HD3 H 1 1.64 0.02 . 2 . . . . 58 LYS HD3 . 15203 1 728 . 1 1 58 58 LYS HE2 H 1 2.93 0.02 . 1 . . . . 58 LYS HE2 . 15203 1 729 . 1 1 58 58 LYS HE3 H 1 2.93 0.02 . 1 . . . . 58 LYS HE3 . 15203 1 730 . 1 1 58 58 LYS C C 13 176.0 0.2 . 1 . . . . 58 LYS C . 15203 1 731 . 1 1 58 58 LYS CA C 13 54.4 0.2 . 1 . . . . 58 LYS CA . 15203 1 732 . 1 1 58 58 LYS CB C 13 33.6 0.2 . 1 . . . . 58 LYS CB . 15203 1 733 . 1 1 58 58 LYS CG C 13 24.6 0.2 . 1 . . . . 58 LYS CG . 15203 1 734 . 1 1 58 58 LYS CD C 13 29.0 0.2 . 1 . . . . 58 LYS CD . 15203 1 735 . 1 1 58 58 LYS CE C 13 42.0 0.2 . 1 . . . . 58 LYS CE . 15203 1 736 . 1 1 58 58 LYS N N 15 132.0 0.2 . 1 . . . . 58 LYS N . 15203 1 737 . 1 1 59 59 ASN H H 1 9.50 0.02 . 1 . . . . 59 ASN H . 15203 1 738 . 1 1 59 59 ASN HA H 1 4.04 0.02 . 1 . . . . 59 ASN HA . 15203 1 739 . 1 1 59 59 ASN HB2 H 1 2.35 0.02 . 2 . . . . 59 ASN HB2 . 15203 1 740 . 1 1 59 59 ASN HB3 H 1 3.08 0.02 . 2 . . . . 59 ASN HB3 . 15203 1 741 . 1 1 59 59 ASN HD21 H 1 6.88 0.02 . 2 . . . . 59 ASN HD21 . 15203 1 742 . 1 1 59 59 ASN HD22 H 1 7.37 0.02 . 2 . . . . 59 ASN HD22 . 15203 1 743 . 1 1 59 59 ASN C C 13 176.4 0.2 . 1 . . . . 59 ASN C . 15203 1 744 . 1 1 59 59 ASN CA C 13 53.2 0.2 . 1 . . . . 59 ASN CA . 15203 1 745 . 1 1 59 59 ASN CB C 13 35.9 0.2 . 1 . . . . 59 ASN CB . 15203 1 746 . 1 1 59 59 ASN N N 15 127.5 0.2 . 1 . . . . 59 ASN N . 15203 1 747 . 1 1 59 59 ASN ND2 N 15 109.9 0.2 . 1 . . . . 59 ASN ND2 . 15203 1 748 . 1 1 60 60 ILE H H 1 8.05 0.02 . 1 . . . . 60 ILE H . 15203 1 749 . 1 1 60 60 ILE HA H 1 3.68 0.02 . 1 . . . . 60 ILE HA . 15203 1 750 . 1 1 60 60 ILE HB H 1 1.14 0.02 . 1 . . . . 60 ILE HB . 15203 1 751 . 1 1 60 60 ILE HG12 H 1 1.37 0.02 . 1 . . . . 60 ILE HG12 . 15203 1 752 . 1 1 60 60 ILE HG13 H 1 1.37 0.02 . 1 . . . . 60 ILE HG13 . 15203 1 753 . 1 1 60 60 ILE HG21 H 1 -0.01 0.02 . 1 . . . . 60 ILE HG2 . 15203 1 754 . 1 1 60 60 ILE HG22 H 1 -0.01 0.02 . 1 . . . . 60 ILE HG2 . 15203 1 755 . 1 1 60 60 ILE HG23 H 1 -0.01 0.02 . 1 . . . . 60 ILE HG2 . 15203 1 756 . 1 1 60 60 ILE HD11 H 1 0.22 0.02 . 1 . . . . 60 ILE HD1 . 15203 1 757 . 1 1 60 60 ILE HD12 H 1 0.22 0.02 . 1 . . . . 60 ILE HD1 . 15203 1 758 . 1 1 60 60 ILE HD13 H 1 0.22 0.02 . 1 . . . . 60 ILE HD1 . 15203 1 759 . 1 1 60 60 ILE C C 13 175.7 0.2 . 1 . . . . 60 ILE C . 15203 1 760 . 1 1 60 60 ILE CA C 13 61.9 0.2 . 1 . . . . 60 ILE CA . 15203 1 761 . 1 1 60 60 ILE CB C 13 38.3 0.2 . 1 . . . . 60 ILE CB . 15203 1 762 . 1 1 60 60 ILE CG1 C 13 29.3 0.2 . 1 . . . . 60 ILE CG1 . 15203 1 763 . 1 1 60 60 ILE CG2 C 13 13.9 0.2 . 1 . . . . 60 ILE CG2 . 15203 1 764 . 1 1 60 60 ILE CD1 C 13 13.7 0.2 . 1 . . . . 60 ILE CD1 . 15203 1 765 . 1 1 60 60 ILE N N 15 120.2 0.2 . 1 . . . . 60 ILE N . 15203 1 766 . 1 1 61 61 MET H H 1 9.59 0.02 . 1 . . . . 61 MET H . 15203 1 767 . 1 1 61 61 MET HA H 1 3.92 0.02 . 1 . . . . 61 MET HA . 15203 1 768 . 1 1 61 61 MET HB2 H 1 1.96 0.02 . 2 . . . . 61 MET HB2 . 15203 1 769 . 1 1 61 61 MET HB3 H 1 2.57 0.02 . 2 . . . . 61 MET HB3 . 15203 1 770 . 1 1 61 61 MET HG2 H 1 2.41 0.02 . 2 . . . . 61 MET HG2 . 15203 1 771 . 1 1 61 61 MET HG3 H 1 2.45 0.02 . 2 . . . . 61 MET HG3 . 15203 1 772 . 1 1 61 61 MET HE1 H 1 2.08 0.02 . 1 . . . . 61 MET HE . 15203 1 773 . 1 1 61 61 MET HE2 H 1 2.08 0.02 . 1 . . . . 61 MET HE . 15203 1 774 . 1 1 61 61 MET HE3 H 1 2.08 0.02 . 1 . . . . 61 MET HE . 15203 1 775 . 1 1 61 61 MET C C 13 174.3 0.2 . 1 . . . . 61 MET C . 15203 1 776 . 1 1 61 61 MET CA C 13 57.0 0.2 . 1 . . . . 61 MET CA . 15203 1 777 . 1 1 61 61 MET CB C 13 31.3 0.2 . 1 . . . . 61 MET CB . 15203 1 778 . 1 1 61 61 MET CG C 13 32.8 0.2 . 1 . . . . 61 MET CG . 15203 1 779 . 1 1 61 61 MET CE C 13 16.3 0.2 . 1 . . . . 61 MET CE . 15203 1 780 . 1 1 61 61 MET N N 15 124.4 0.2 . 1 . . . . 61 MET N . 15203 1 781 . 1 1 62 62 ASN H H 1 8.25 0.02 . 1 . . . . 62 ASN H . 15203 1 782 . 1 1 62 62 ASN HA H 1 4.40 0.02 . 1 . . . . 62 ASN HA . 15203 1 783 . 1 1 62 62 ASN HB2 H 1 2.63 0.02 . 2 . . . . 62 ASN HB2 . 15203 1 784 . 1 1 62 62 ASN HB3 H 1 3.18 0.02 . 2 . . . . 62 ASN HB3 . 15203 1 785 . 1 1 62 62 ASN HD21 H 1 6.78 0.02 . 2 . . . . 62 ASN HD21 . 15203 1 786 . 1 1 62 62 ASN HD22 H 1 7.48 0.02 . 2 . . . . 62 ASN HD22 . 15203 1 787 . 1 1 62 62 ASN C C 13 176.8 0.2 . 1 . . . . 62 ASN C . 15203 1 788 . 1 1 62 62 ASN CA C 13 54.4 0.2 . 1 . . . . 62 ASN CA . 15203 1 789 . 1 1 62 62 ASN CB C 13 37.6 0.2 . 1 . . . . 62 ASN CB . 15203 1 790 . 1 1 62 62 ASN N N 15 111.9 0.2 . 1 . . . . 62 ASN N . 15203 1 791 . 1 1 62 62 ASN ND2 N 15 111.9 0.2 . 1 . . . . 62 ASN ND2 . 15203 1 792 . 1 1 63 63 THR H H 1 7.48 0.02 . 1 . . . . 63 THR H . 15203 1 793 . 1 1 63 63 THR HA H 1 4.21 0.02 . 1 . . . . 63 THR HA . 15203 1 794 . 1 1 63 63 THR HB H 1 4.51 0.02 . 1 . . . . 63 THR HB . 15203 1 795 . 1 1 63 63 THR HG21 H 1 1.45 0.02 . 1 . . . . 63 THR HG2 . 15203 1 796 . 1 1 63 63 THR HG22 H 1 1.45 0.02 . 1 . . . . 63 THR HG2 . 15203 1 797 . 1 1 63 63 THR HG23 H 1 1.45 0.02 . 1 . . . . 63 THR HG2 . 15203 1 798 . 1 1 63 63 THR C C 13 177.1 0.2 . 1 . . . . 63 THR C . 15203 1 799 . 1 1 63 63 THR CA C 13 62.9 0.2 . 1 . . . . 63 THR CA . 15203 1 800 . 1 1 63 63 THR CB C 13 72.5 0.2 . 1 . . . . 63 THR CB . 15203 1 801 . 1 1 63 63 THR CG2 C 13 21.9 0.2 . 1 . . . . 63 THR CG2 . 15203 1 802 . 1 1 63 63 THR N N 15 105.9 0.2 . 1 . . . . 63 THR N . 15203 1 803 . 1 1 64 64 GLY H H 1 9.11 0.02 . 1 . . . . 64 GLY H . 15203 1 804 . 1 1 64 64 GLY HA2 H 1 3.58 0.02 . 2 . . . . 64 GLY HA2 . 15203 1 805 . 1 1 64 64 GLY HA3 H 1 4.09 0.02 . 2 . . . . 64 GLY HA3 . 15203 1 806 . 1 1 64 64 GLY C C 13 173.2 0.2 . 1 . . . . 64 GLY C . 15203 1 807 . 1 1 64 64 GLY CA C 13 45.3 0.2 . 1 . . . . 64 GLY CA . 15203 1 808 . 1 1 64 64 GLY N N 15 111.5 0.2 . 1 . . . . 64 GLY N . 15203 1 809 . 1 1 65 65 VAL H H 1 7.58 0.02 . 1 . . . . 65 VAL H . 15203 1 810 . 1 1 65 65 VAL HA H 1 4.06 0.02 . 1 . . . . 65 VAL HA . 15203 1 811 . 1 1 65 65 VAL HB H 1 2.14 0.02 . 1 . . . . 65 VAL HB . 15203 1 812 . 1 1 65 65 VAL HG11 H 1 1.03 0.02 . 2 . . . . 65 VAL HG1 . 15203 1 813 . 1 1 65 65 VAL HG12 H 1 1.03 0.02 . 2 . . . . 65 VAL HG1 . 15203 1 814 . 1 1 65 65 VAL HG13 H 1 1.03 0.02 . 2 . . . . 65 VAL HG1 . 15203 1 815 . 1 1 65 65 VAL HG21 H 1 0.88 0.02 . 2 . . . . 65 VAL HG2 . 15203 1 816 . 1 1 65 65 VAL HG22 H 1 0.88 0.02 . 2 . . . . 65 VAL HG2 . 15203 1 817 . 1 1 65 65 VAL HG23 H 1 0.88 0.02 . 2 . . . . 65 VAL HG2 . 15203 1 818 . 1 1 65 65 VAL C C 13 172.9 0.2 . 1 . . . . 65 VAL C . 15203 1 819 . 1 1 65 65 VAL CA C 13 61.4 0.2 . 1 . . . . 65 VAL CA . 15203 1 820 . 1 1 65 65 VAL CB C 13 32.9 0.2 . 1 . . . . 65 VAL CB . 15203 1 821 . 1 1 65 65 VAL CG1 C 13 22.7 0.02 . 2 . . . . 65 VAL CG1 . 15203 1 822 . 1 1 65 65 VAL CG2 C 13 22.0 0.02 . 2 . . . . 65 VAL CG2 . 15203 1 823 . 1 1 65 65 VAL N N 15 121.6 0.2 . 1 . . . . 65 VAL N . 15203 1 824 . 1 1 66 66 ASP H H 1 8.21 0.02 . 1 . . . . 66 ASP H . 15203 1 825 . 1 1 66 66 ASP HA H 1 5.32 0.02 . 1 . . . . 66 ASP HA . 15203 1 826 . 1 1 66 66 ASP HB2 H 1 2.28 0.02 . 2 . . . . 66 ASP HB2 . 15203 1 827 . 1 1 66 66 ASP HB3 H 1 2.41 0.02 . 2 . . . . 66 ASP HB3 . 15203 1 828 . 1 1 66 66 ASP C C 13 174.8 0.2 . 1 . . . . 66 ASP C . 15203 1 829 . 1 1 66 66 ASP CA C 13 51.7 0.2 . 1 . . . . 66 ASP CA . 15203 1 830 . 1 1 66 66 ASP CB C 13 43.2 0.2 . 1 . . . . 66 ASP CB . 15203 1 831 . 1 1 66 66 ASP N N 15 123.1 0.2 . 1 . . . . 66 ASP N . 15203 1 832 . 1 1 67 67 ILE H H 1 8.54 0.02 . 1 . . . . 67 ILE H . 15203 1 833 . 1 1 67 67 ILE HA H 1 4.63 0.02 . 1 . . . . 67 ILE HA . 15203 1 834 . 1 1 67 67 ILE HB H 1 1.82 0.02 . 1 . . . . 67 ILE HB . 15203 1 835 . 1 1 67 67 ILE HG12 H 1 0.98 0.02 . 2 . . . . 67 ILE HG12 . 15203 1 836 . 1 1 67 67 ILE HG13 H 1 1.31 0.02 . 2 . . . . 67 ILE HG13 . 15203 1 837 . 1 1 67 67 ILE HG21 H 1 0.62 0.02 . 1 . . . . 67 ILE HG2 . 15203 1 838 . 1 1 67 67 ILE HG22 H 1 0.62 0.02 . 1 . . . . 67 ILE HG2 . 15203 1 839 . 1 1 67 67 ILE HG23 H 1 0.62 0.02 . 1 . . . . 67 ILE HG2 . 15203 1 840 . 1 1 67 67 ILE HD11 H 1 0.41 0.02 . 1 . . . . 67 ILE HD1 . 15203 1 841 . 1 1 67 67 ILE HD12 H 1 0.41 0.02 . 1 . . . . 67 ILE HD1 . 15203 1 842 . 1 1 67 67 ILE HD13 H 1 0.41 0.02 . 1 . . . . 67 ILE HD1 . 15203 1 843 . 1 1 67 67 ILE C C 13 175.6 0.2 . 1 . . . . 67 ILE C . 15203 1 844 . 1 1 67 67 ILE CA C 13 56.9 0.2 . 1 . . . . 67 ILE CA . 15203 1 845 . 1 1 67 67 ILE CB C 13 35.3 0.2 . 1 . . . . 67 ILE CB . 15203 1 846 . 1 1 67 67 ILE CG1 C 13 26.3 0.2 . 1 . . . . 67 ILE CG1 . 15203 1 847 . 1 1 67 67 ILE CG2 C 13 17.2 0.2 . 1 . . . . 67 ILE CG2 . 15203 1 848 . 1 1 67 67 ILE CD1 C 13 8.1 0.2 . 1 . . . . 67 ILE CD1 . 15203 1 849 . 1 1 67 67 ILE N N 15 119.2 0.2 . 1 . . . . 67 ILE N . 15203 1 850 . 1 1 68 68 ILE H H 1 9.42 0.02 . 1 . . . . 68 ILE H . 15203 1 851 . 1 1 68 68 ILE HA H 1 4.98 0.02 . 1 . . . . 68 ILE HA . 15203 1 852 . 1 1 68 68 ILE HB H 1 1.60 0.02 . 1 . . . . 68 ILE HB . 15203 1 853 . 1 1 68 68 ILE HG12 H 1 1.01 0.02 . 2 . . . . 68 ILE HG12 . 15203 1 854 . 1 1 68 68 ILE HG13 H 1 1.28 0.02 . 2 . . . . 68 ILE HG13 . 15203 1 855 . 1 1 68 68 ILE HG21 H 1 0.75 0.02 . 1 . . . . 68 ILE HG2 . 15203 1 856 . 1 1 68 68 ILE HG22 H 1 0.75 0.02 . 1 . . . . 68 ILE HG2 . 15203 1 857 . 1 1 68 68 ILE HG23 H 1 0.75 0.02 . 1 . . . . 68 ILE HG2 . 15203 1 858 . 1 1 68 68 ILE HD11 H 1 0.70 0.02 . 1 . . . . 68 ILE HD1 . 15203 1 859 . 1 1 68 68 ILE HD12 H 1 0.70 0.02 . 1 . . . . 68 ILE HD1 . 15203 1 860 . 1 1 68 68 ILE HD13 H 1 0.70 0.02 . 1 . . . . 68 ILE HD1 . 15203 1 861 . 1 1 68 68 ILE C C 13 175.0 0.2 . 1 . . . . 68 ILE C . 15203 1 862 . 1 1 68 68 ILE CA C 13 58.6 0.2 . 1 . . . . 68 ILE CA . 15203 1 863 . 1 1 68 68 ILE CB C 13 40.9 0.2 . 1 . . . . 68 ILE CB . 15203 1 864 . 1 1 68 68 ILE CG1 C 13 26.0 0.2 . 1 . . . . 68 ILE CG1 . 15203 1 865 . 1 1 68 68 ILE CG2 C 13 17.7 0.2 . 1 . . . . 68 ILE CG2 . 15203 1 866 . 1 1 68 68 ILE CD1 C 13 13.0 0.2 . 1 . . . . 68 ILE CD1 . 15203 1 867 . 1 1 68 68 ILE N N 15 125.0 0.2 . 1 . . . . 68 ILE N . 15203 1 868 . 1 1 69 69 CYS H H 1 8.87 0.02 . 1 . . . . 69 CYS H . 15203 1 869 . 1 1 69 69 CYS HA H 1 4.61 0.02 . 1 . . . . 69 CYS HA . 15203 1 870 . 1 1 69 69 CYS HB2 H 1 2.79 0.02 . 2 . . . . 69 CYS HB2 . 15203 1 871 . 1 1 69 69 CYS HB3 H 1 2.89 0.02 . 2 . . . . 69 CYS HB3 . 15203 1 872 . 1 1 69 69 CYS C C 13 176.2 0.2 . 1 . . . . 69 CYS C . 15203 1 873 . 1 1 69 69 CYS CA C 13 58.9 0.2 . 1 . . . . 69 CYS CA . 15203 1 874 . 1 1 69 69 CYS CB C 13 27.1 0.2 . 1 . . . . 69 CYS CB . 15203 1 875 . 1 1 69 69 CYS N N 15 122.3 0.2 . 1 . . . . 69 CYS N . 15203 1 876 . 1 1 70 70 THR H H 1 8.27 0.02 . 1 . . . . 70 THR H . 15203 1 877 . 1 1 70 70 THR HA H 1 4.71 0.02 . 1 . . . . 70 THR HA . 15203 1 878 . 1 1 70 70 THR HB H 1 4.45 0.02 . 1 . . . . 70 THR HB . 15203 1 879 . 1 1 70 70 THR HG21 H 1 0.94 0.02 . 1 . . . . 70 THR HG2 . 15203 1 880 . 1 1 70 70 THR HG22 H 1 0.94 0.02 . 1 . . . . 70 THR HG2 . 15203 1 881 . 1 1 70 70 THR HG23 H 1 0.94 0.02 . 1 . . . . 70 THR HG2 . 15203 1 882 . 1 1 70 70 THR C C 13 173.6 0.2 . 1 . . . . 70 THR C . 15203 1 883 . 1 1 70 70 THR CA C 13 61.5 0.2 . 1 . . . . 70 THR CA . 15203 1 884 . 1 1 70 70 THR CB C 13 68.1 0.2 . 1 . . . . 70 THR CB . 15203 1 885 . 1 1 70 70 THR CG2 C 13 21.7 0.2 . 1 . . . . 70 THR CG2 . 15203 1 886 . 1 1 70 70 THR N N 15 116.7 0.2 . 1 . . . . 70 THR N . 15203 1 887 . 1 1 71 71 LYS H H 1 7.37 0.02 . 1 . . . . 71 LYS H . 15203 1 888 . 1 1 71 71 LYS HA H 1 4.52 0.02 . 1 . . . . 71 LYS HA . 15203 1 889 . 1 1 71 71 LYS HB2 H 1 1.39 0.02 . 2 . . . . 71 LYS HB2 . 15203 1 890 . 1 1 71 71 LYS HB3 H 1 1.41 0.02 . 2 . . . . 71 LYS HB3 . 15203 1 891 . 1 1 71 71 LYS HG2 H 1 1.14 0.02 . 2 . . . . 71 LYS HG2 . 15203 1 892 . 1 1 71 71 LYS HG3 H 1 1.28 0.02 . 2 . . . . 71 LYS HG3 . 15203 1 893 . 1 1 71 71 LYS HD2 H 1 1.50 0.02 . 1 . . . . 71 LYS HD2 . 15203 1 894 . 1 1 71 71 LYS HD3 H 1 1.50 0.02 . 1 . . . . 71 LYS HD3 . 15203 1 895 . 1 1 71 71 LYS HE2 H 1 2.83 0.02 . 1 . . . . 71 LYS HE2 . 15203 1 896 . 1 1 71 71 LYS HE3 H 1 2.83 0.02 . 1 . . . . 71 LYS HE3 . 15203 1 897 . 1 1 71 71 LYS CA C 13 55.1 0.2 . 1 . . . . 71 LYS CA . 15203 1 898 . 1 1 71 71 LYS CB C 13 37.8 0.2 . 1 . . . . 71 LYS CB . 15203 1 899 . 1 1 71 71 LYS CG C 13 24.8 0.2 . 1 . . . . 71 LYS CG . 15203 1 900 . 1 1 71 71 LYS CD C 13 29.3 0.2 . 1 . . . . 71 LYS CD . 15203 1 901 . 1 1 71 71 LYS CE C 13 42.0 0.2 . 1 . . . . 71 LYS CE . 15203 1 902 . 1 1 71 71 LYS N N 15 120.9 0.2 . 1 . . . . 71 LYS N . 15203 1 903 . 1 1 72 72 ASN H H 1 8.58 0.02 . 1 . . . . 72 ASN H . 15203 1 904 . 1 1 72 72 ASN HA H 1 4.62 0.02 . 1 . . . . 72 ASN HA . 15203 1 905 . 1 1 72 72 ASN HB2 H 1 2.58 0.02 . 2 . . . . 72 ASN HB2 . 15203 1 906 . 1 1 72 72 ASN HB3 H 1 2.73 0.02 . 2 . . . . 72 ASN HB3 . 15203 1 907 . 1 1 72 72 ASN HD21 H 1 7.05 0.02 . 2 . . . . 72 ASN HD21 . 15203 1 908 . 1 1 72 72 ASN HD22 H 1 7.62 0.02 . 2 . . . . 72 ASN HD22 . 15203 1 909 . 1 1 72 72 ASN C C 13 173.5 0.2 . 1 . . . . 72 ASN C . 15203 1 910 . 1 1 72 72 ASN CA C 13 52.2 0.2 . 1 . . . . 72 ASN CA . 15203 1 911 . 1 1 72 72 ASN CB C 13 38.5 0.2 . 1 . . . . 72 ASN CB . 15203 1 912 . 1 1 72 72 ASN N N 15 122.7 0.2 . 1 . . . . 72 ASN N . 15203 1 913 . 1 1 72 72 ASN ND2 N 15 115.9 0.2 . 1 . . . . 72 ASN ND2 . 15203 1 914 . 1 1 73 73 LEU H H 1 8.10 0.02 . 1 . . . . 73 LEU H . 15203 1 915 . 1 1 73 73 LEU HA H 1 4.68 0.02 . 1 . . . . 73 LEU HA . 15203 1 916 . 1 1 73 73 LEU HB2 H 1 0.84 0.02 . 2 . . . . 73 LEU HB2 . 15203 1 917 . 1 1 73 73 LEU HB3 H 1 1.65 0.02 . 2 . . . . 73 LEU HB3 . 15203 1 918 . 1 1 73 73 LEU HG H 1 1.09 0.02 . 1 . . . . 73 LEU HG . 15203 1 919 . 1 1 73 73 LEU HD11 H 1 0.43 0.02 . 2 . . . . 73 LEU HD1 . 15203 1 920 . 1 1 73 73 LEU HD12 H 1 0.43 0.02 . 2 . . . . 73 LEU HD1 . 15203 1 921 . 1 1 73 73 LEU HD13 H 1 0.43 0.02 . 2 . . . . 73 LEU HD1 . 15203 1 922 . 1 1 73 73 LEU HD21 H 1 0.07 0.02 . 2 . . . . 73 LEU HD2 . 15203 1 923 . 1 1 73 73 LEU HD22 H 1 0.07 0.02 . 2 . . . . 73 LEU HD2 . 15203 1 924 . 1 1 73 73 LEU HD23 H 1 0.07 0.02 . 2 . . . . 73 LEU HD2 . 15203 1 925 . 1 1 73 73 LEU CA C 13 51.0 0.2 . 1 . . . . 73 LEU CA . 15203 1 926 . 1 1 73 73 LEU CB C 13 42.5 0.2 . 1 . . . . 73 LEU CB . 15203 1 927 . 1 1 73 73 LEU CG C 13 25.9 0.2 . 1 . . . . 73 LEU CG . 15203 1 928 . 1 1 73 73 LEU CD1 C 13 26.0 0.02 . 2 . . . . 73 LEU CD1 . 15203 1 929 . 1 1 73 73 LEU CD2 C 13 21.9 0.02 . 2 . . . . 73 LEU CD2 . 15203 1 930 . 1 1 73 73 LEU N N 15 125.1 0.2 . 1 . . . . 73 LEU N . 15203 1 931 . 1 1 74 74 PRO HA H 1 4.67 0.02 . 1 . . . . 74 PRO HA . 15203 1 932 . 1 1 74 74 PRO HB2 H 1 2.14 0.02 . 2 . . . . 74 PRO HB2 . 15203 1 933 . 1 1 74 74 PRO HB3 H 1 2.18 0.02 . 2 . . . . 74 PRO HB3 . 15203 1 934 . 1 1 74 74 PRO HG2 H 1 1.99 0.02 . 2 . . . . 74 PRO HG2 . 15203 1 935 . 1 1 74 74 PRO HG3 H 1 2.07 0.02 . 2 . . . . 74 PRO HG3 . 15203 1 936 . 1 1 74 74 PRO HD2 H 1 3.63 0.02 . 1 . . . . 74 PRO HD2 . 15203 1 937 . 1 1 74 74 PRO HD3 H 1 3.63 0.02 . 1 . . . . 74 PRO HD3 . 15203 1 938 . 1 1 74 74 PRO C C 13 176.5 0.2 . 1 . . . . 74 PRO C . 15203 1 939 . 1 1 74 74 PRO CA C 13 61.8 0.2 . 1 . . . . 74 PRO CA . 15203 1 940 . 1 1 74 74 PRO CB C 13 32.8 0.2 . 1 . . . . 74 PRO CB . 15203 1 941 . 1 1 74 74 PRO CG C 13 26.4 0.2 . 1 . . . . 74 PRO CG . 15203 1 942 . 1 1 74 74 PRO CD C 13 50.4 0.2 . 1 . . . . 74 PRO CD . 15203 1 943 . 1 1 75 75 LYS H H 1 8.28 0.02 . 1 . . . . 75 LYS H . 15203 1 944 . 1 1 75 75 LYS HA H 1 4.11 0.02 . 1 . . . . 75 LYS HA . 15203 1 945 . 1 1 75 75 LYS HB2 H 1 1.63 0.02 . 2 . . . . 75 LYS HB2 . 15203 1 946 . 1 1 75 75 LYS HB3 H 1 1.71 0.02 . 2 . . . . 75 LYS HB3 . 15203 1 947 . 1 1 75 75 LYS HG2 H 1 1.38 0.02 . 1 . . . . 75 LYS HG2 . 15203 1 948 . 1 1 75 75 LYS HG3 H 1 1.38 0.02 . 1 . . . . 75 LYS HG3 . 15203 1 949 . 1 1 75 75 LYS HD2 H 1 1.67 0.02 . 1 . . . . 75 LYS HD2 . 15203 1 950 . 1 1 75 75 LYS HD3 H 1 1.67 0.02 . 1 . . . . 75 LYS HD3 . 15203 1 951 . 1 1 75 75 LYS HE2 H 1 3.00 0.02 . 1 . . . . 75 LYS HE2 . 15203 1 952 . 1 1 75 75 LYS HE3 H 1 3.00 0.02 . 1 . . . . 75 LYS HE3 . 15203 1 953 . 1 1 75 75 LYS CA C 13 56.5 0.2 . 1 . . . . 75 LYS CA . 15203 1 954 . 1 1 75 75 LYS CB C 13 33.3 0.2 . 1 . . . . 75 LYS CB . 15203 1 955 . 1 1 75 75 LYS CG C 13 25.0 0.2 . 1 . . . . 75 LYS CG . 15203 1 956 . 1 1 75 75 LYS CD C 13 29.7 0.2 . 1 . . . . 75 LYS CD . 15203 1 957 . 1 1 75 75 LYS CE C 13 42.0 0.2 . 1 . . . . 75 LYS CE . 15203 1 958 . 1 1 75 75 LYS N N 15 117.0 0.2 . 1 . . . . 75 LYS N . 15203 1 959 . 1 1 76 76 ASP H H 1 8.57 0.02 . 1 . . . . 76 ASP H . 15203 1 960 . 1 1 76 76 ASP HA H 1 4.53 0.02 . 1 . . . . 76 ASP HA . 15203 1 961 . 1 1 76 76 ASP HB2 H 1 2.65 0.02 . 1 . . . . 76 ASP HB2 . 15203 1 962 . 1 1 76 76 ASP HB3 H 1 2.65 0.02 . 1 . . . . 76 ASP HB3 . 15203 1 963 . 1 1 76 76 ASP C C 13 176.3 0.2 . 1 . . . . 76 ASP C . 15203 1 964 . 1 1 76 76 ASP CA C 13 55.0 0.2 . 1 . . . . 76 ASP CA . 15203 1 965 . 1 1 76 76 ASP CB C 13 41.1 0.2 . 1 . . . . 76 ASP CB . 15203 1 966 . 1 1 76 76 ASP N N 15 122.7 0.2 . 1 . . . . 76 ASP N . 15203 1 967 . 1 1 77 77 SER H H 1 8.33 0.02 . 1 . . . . 77 SER H . 15203 1 968 . 1 1 77 77 SER HA H 1 4.41 0.02 . 1 . . . . 77 SER HA . 15203 1 969 . 1 1 77 77 SER HB2 H 1 3.82 0.02 . 1 . . . . 77 SER HB2 . 15203 1 970 . 1 1 77 77 SER HB3 H 1 3.82 0.02 . 1 . . . . 77 SER HB3 . 15203 1 971 . 1 1 77 77 SER C C 13 174.3 0.2 . 1 . . . . 77 SER C . 15203 1 972 . 1 1 77 77 SER CA C 13 58.0 0.2 . 1 . . . . 77 SER CA . 15203 1 973 . 1 1 77 77 SER CB C 13 63.9 0.2 . 1 . . . . 77 SER CB . 15203 1 974 . 1 1 77 77 SER N N 15 116.1 0.2 . 1 . . . . 77 SER N . 15203 1 975 . 1 1 78 78 LEU H H 1 8.35 0.02 . 1 . . . . 78 LEU H . 15203 1 976 . 1 1 78 78 LEU HA H 1 4.28 0.02 . 1 . . . . 78 LEU HA . 15203 1 977 . 1 1 78 78 LEU HB2 H 1 1.54 0.02 . 2 . . . . 78 LEU HB2 . 15203 1 978 . 1 1 78 78 LEU HB3 H 1 1.49 0.02 . 2 . . . . 78 LEU HB3 . 15203 1 979 . 1 1 78 78 LEU HG H 1 1.53 0.02 . 1 . . . . 78 LEU HG . 15203 1 980 . 1 1 78 78 LEU HD11 H 1 0.85 0.02 . 2 . . . . 78 LEU HD1 . 15203 1 981 . 1 1 78 78 LEU HD12 H 1 0.85 0.02 . 2 . . . . 78 LEU HD1 . 15203 1 982 . 1 1 78 78 LEU HD13 H 1 0.85 0.02 . 2 . . . . 78 LEU HD1 . 15203 1 983 . 1 1 78 78 LEU HD21 H 1 0.80 0.02 . 2 . . . . 78 LEU HD2 . 15203 1 984 . 1 1 78 78 LEU HD22 H 1 0.80 0.02 . 2 . . . . 78 LEU HD2 . 15203 1 985 . 1 1 78 78 LEU HD23 H 1 0.80 0.02 . 2 . . . . 78 LEU HD2 . 15203 1 986 . 1 1 78 78 LEU C C 13 177.2 0.2 . 1 . . . . 78 LEU C . 15203 1 987 . 1 1 78 78 LEU CA C 13 55.2 0.2 . 1 . . . . 78 LEU CA . 15203 1 988 . 1 1 78 78 LEU CB C 13 42.1 0.2 . 1 . . . . 78 LEU CB . 15203 1 989 . 1 1 78 78 LEU CG C 13 27.0 0.2 . 1 . . . . 78 LEU CG . 15203 1 990 . 1 1 78 78 LEU CD1 C 13 24.9 0.02 . 2 . . . . 78 LEU CD1 . 15203 1 991 . 1 1 78 78 LEU CD2 C 13 23.5 0.02 . 2 . . . . 78 LEU CD2 . 15203 1 992 . 1 1 78 78 LEU N N 15 124.3 0.2 . 1 . . . . 78 LEU N . 15203 1 993 . 1 1 79 79 GLU H H 1 8.30 0.02 . 1 . . . . 79 GLU H . 15203 1 994 . 1 1 79 79 GLU CA C 13 56.4 0.2 . 1 . . . . 79 GLU CA . 15203 1 995 . 1 1 79 79 GLU CB C 13 30.2 0.2 . 1 . . . . 79 GLU CB . 15203 1 996 . 1 1 79 79 GLU N N 15 121.7 0.2 . 1 . . . . 79 GLU N . 15203 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 15203 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 11 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 121.843 4.734 8.160 70118488 120.230 5.167 8.048 5704014 120.240 2.311 8.048 3284904 120.230 1.342 8.048 4347484 117.598 0.877 7.248 4626100 125.086 8.789 8.100 15838165 125.010 0.951 8.101 3138548 125.331 4.732 8.091 237534416 125.184 4.868 8.096 8789388 124.312 4.651 8.347 6745399 124.278 4.733 8.343 123946816 124.459 4.738 9.579 8739452 120.866 3.349 7.364 4305634 120.869 1.113 7.363 4370403 116.773 8.495 8.264 2853758 131.993 4.730 8.872 14755739 131.978 4.488 8.871 3525162 131.953 0.901 8.867 3008838 122.159 6.976 7.808 5474119 122.110 4.549 7.812 7954407 122.158 2.717 7.809 4470198 122.159 1.917 7.811 3680181 119.820 6.478 7.642 4584473 116.707 0.674 7.398 1883843 116.608 2.125 7.399 2583067 117.964 7.080 8.473 3744097 117.989 4.761 8.472 4018514 118.023 1.890 8.471 3425831 123.174 7.466 8.205 6358073 123.199 1.619 8.205 3494383 123.155 4.742 8.203 8405000 122.709 7.619 8.575 2318651 122.672 4.731 8.578 80070368 122.682 2.615 8.578 32109996 121.688 4.733 8.298 136520656 121.678 4.139 8.298 11601561 121.713 2.104 8.296 5255752 121.684 1.793 8.298 18861184 130.180 6.189 7.788 3484402 130.230 2.071 7.787 2759970 119.867 6.325 8.443 12349308 108.814 4.698 8.634 56661072 111.549 5.158 9.111 5088868 111.546 9.497 9.114 2788922 119.960 6.476 7.858 11802863 119.726 2.854 7.871 9356946 119.839 3.282 7.862 3114874 119.702 1.606 7.870 7458303 115.309 6.740 7.626 9387552 117.096 7.151 7.774 10077725 117.056 3.701 7.776 4017648 114.715 4.735 8.870 11390265 114.673 0.847 8.873 4185394 117.093 1.827 8.508 10718363 109.880 0.687 7.628 7547608 113.478 8.097 8.787 15893975 113.513 0.951 8.786 3598913 113.530 1.939 8.788 2856656 119.828 0.877 8.857 2579387 113.436 4.927 7.595 3199592 113.072 4.385 7.582 3129062 112.883 3.259 7.581 13968616 124.844 8.631 8.499 5226298 124.718 4.725 8.495 3754056 124.759 1.660 8.492 8640075 127.645 8.873 9.042 4878330 127.579 6.741 9.030 3326713 113.170 4.729 8.221 26577136 113.143 0.680 8.221 11120606 113.159 0.905 8.222 3855696 113.086 0.813 8.223 2318090 129.248 4.733 9.930 43279372 129.250 1.438 9.934 2611841 118.585 5.024 7.956 3397902 118.542 4.735 7.961 36868772 117.068 4.101 7.768 8366614 118.516 8.758 8.888 5070929 114.549 6.188 8.945 3678083 114.651 4.502 8.940 5029852 114.571 4.432 8.944 3466248 117.977 0.829 8.956 2791710 115.383 4.732 7.941 10659734 115.388 2.093 7.939 3226564 119.916 8.092 7.652 2940085 115.791 6.982 8.582 4637582 115.791 4.732 8.580 4746998 113.248 4.731 7.976 10025478 113.209 4.510 7.975 6432028 118.434 4.730 7.109 9033707 118.428 4.024 7.103 2628860 120.345 4.727 7.607 4020318 120.761 4.266 7.629 2365296 115.366 6.738 8.766 5104284 115.375 1.789 8.769 3187328 115.395 1.432 8.762 2492352 109.929 4.514 8.280 42341128 118.889 4.619 8.405 9903169 115.626 8.883 9.073 3922525 115.634 4.709 9.073 7820863 115.671 3.542 9.074 7024126 115.627 0.734 9.073 8212546 123.962 4.730 8.771 5163055 127.576 0.665 9.493 4658503 112.029 5.160 8.251 3008549 111.956 4.288 8.246 3342590 111.926 4.179 8.248 2494002 105.992 5.160 7.483 54535664 121.640 5.160 7.584 15057228 121.654 4.184 7.585 3560668 120.902 1.338 7.364 13557863 116.114 4.734 8.323 112735872 122.270 7.872 8.863 3497866 108.810 4.757 8.635 35339552 116.588 4.699 8.884 27064658 118.525 7.648 8.885 2340401 121.293 4.536 8.185 15779086 113.209 4.540 7.973 5232479 119.887 4.388 8.448 1920558 121.109 3.992 8.184 2324129 122.684 4.858 8.577 4409880 120.891 9.026 7.645 2081579 113.037 8.206 7.582 3304702 112.906 8.207 7.475 4750472 112.900 2.485 7.581 8558575 112.950 2.487 7.476 4022591 112.923 3.261 7.474 6371214 112.947 2.270 7.582 4120467 112.889 2.265 7.478 5441047 112.901 2.418 7.479 2969902 112.943 2.424 7.578 4381718 112.943 2.940 7.583 3529758 112.904 2.939 7.473 6222632 112.797 2.857 6.847 5781965 112.749 2.854 7.526 13874734 112.738 0.823 7.526 2927968 112.862 0.819 6.848 3314036 112.777 4.732 6.848 28951540 112.765 4.733 7.526 52842104 112.993 2.941 6.933 6903305 112.966 3.075 6.934 9943181 112.970 2.938 7.857 13109356 112.952 3.077 7.858 24940824 112.961 0.916 7.859 10010516 112.972 0.919 6.934 16563468 112.964 4.501 7.859 10573179 112.959 4.729 7.859 14178741 112.944 4.495 6.931 4631489 112.951 4.731 6.933 16131046 110.470 2.709 6.978 7038658 110.480 2.957 6.974 5146654 110.494 2.707 7.694 16069274 110.475 2.960 7.694 12306138 110.456 1.280 7.693 1869326 110.448 1.457 7.692 2525856 110.506 1.606 7.694 4605546 110.516 1.294 6.978 3884213 110.489 1.453 6.978 5548940 110.518 1.606 6.976 9659761 110.504 4.732 7.695 52584712 110.499 4.731 6.978 33127096 110.525 4.594 6.975 3554223 110.440 4.593 7.698 4080487 109.896 4.392 7.368 7176754 109.888 4.391 6.879 11251897 109.854 3.072 7.369 14457441 109.904 3.070 6.878 8940726 109.877 2.343 7.368 7627472 109.873 2.339 6.877 4701632 111.944 4.732 7.484 15877918 111.907 4.731 6.783 10856221 111.867 2.624 7.485 10344503 111.899 3.176 7.484 26572112 111.909 2.626 6.782 5767826 111.904 3.177 6.783 9936962 115.883 2.721 7.058 5194268 115.958 2.578 7.050 3415232 115.887 2.588 7.622 8776464 115.887 2.738 7.615 12021126 115.867 4.730 7.618 61153376 115.867 4.733 7.058 51478756 111.889 8.077 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8.578 28821850 122.633 4.520 8.576 86429200 122.654 1.379 8.577 19691922 125.174 4.403 8.094 6939004 125.118 4.626 8.099 49549068 125.085 2.573 8.103 5261188 125.034 2.732 8.098 3325189 125.086 0.834 8.100 7115169 125.102 1.645 8.100 12327939 125.082 0.415 8.092 3417567 125.124 0.066 8.100 4416154 125.083 1.075 8.100 12889760 125.079 3.616 8.099 4367520 117.083 2.412 8.272 14091212 117.048 3.336 8.269 2586769 116.991 1.960 8.271 8398252 116.810 0.822 8.267 5117887 117.072 4.667 8.273 68034384 117.084 2.142 8.272 22423700 117.085 4.104 8.272 14656998 117.069 1.647 8.272 25467626 117.039 1.718 8.270 17301664 117.075 1.377 8.272 21529860 117.056 8.573 8.269 4592626 122.691 0.918 8.578 12338958 122.646 3.332 8.573 5129315 122.663 8.283 8.577 4638787 122.693 4.104 8.578 54725444 122.685 1.620 8.578 9263404 122.635 1.704 8.578 12149954 116.116 4.531 8.322 14677080 116.087 2.654 8.324 4184446 116.119 4.401 8.323 4528416 116.089 3.820 8.322 7164348 124.298 4.405 8.343 34853940 124.356 3.820 8.342 7017248 124.330 4.273 8.343 12951266 124.299 1.531 8.343 27221420 121.683 4.271 8.297 40442016 121.663 1.503 8.298 7423984 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 1H 1 H . 9803.922 . . . 15203 1 2 15N 15 N 1 2099.958 . . . 15203 1 3 1H 1 NH 1 9803.922 . . . 15203 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 15203 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 12 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY' _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 31.965 6.957 0.410 7226380 32.006 6.328 0.409 7092331 32.000 6.197 0.412 7012551 41.254 6.996 0.626 3217082 36.997 4.475 0.699 5982775 36.983 3.390 0.699 10663712 36.969 2.783 0.697 7912715 41.638 4.467 0.751 7374490 41.615 3.392 0.751 13204669 36.914 5.195 3.638 7846880 41.193 6.932 0.919 9223170 40.921 3.498 0.879 2187960 52.908 0.661 1.282 3753957 37.885 7.063 -0.011 10554914 37.883 6.945 -0.010 10172896 37.894 5.163 -0.010 21922092 37.894 6.327 -0.013 3553110 37.708 6.948 0.217 3015644 37.735 6.333 0.222 4717236 37.733 3.840 0.221 2234402 38.259 3.851 3.591 1876535 37.492 -0.021 0.331 6407360 37.420 3.654 0.356 3188414 37.329 2.080 0.354 4531618 37.023 0.696 1.095 7922523 37.112 0.900 1.096 13533410 52.649 1.815 2.286 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_Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 1H 1 H . 9803.922 . . . 15203 2 2 13C 13 C 1 4224.757 . . . 15203 2 3 1H 1 H 1 9803.922 . . . 15203 2 stop_ save_ save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 15203 _Spectral_peak_list.ID 3 _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 13 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY' _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Details 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1.416 25795290 50.342 0.771 1.794 28879636 46.583 0.232 1.062 16511848 50.631 0.237 0.828 24435864 45.406 0.234 0.744 8745740 45.303 1.433 0.729 10777908 45.333 1.721 0.730 17259522 45.408 1.822 0.734 21228922 45.314 2.280 0.728 12118871 45.405 2.765 0.742 23162066 45.380 2.641 0.744 4451338 45.408 2.881 0.739 11592115 45.345 3.987 0.735 46772904 45.398 3.871 0.736 7853897 45.420 4.609 0.740 10401592 45.342 4.363 0.731 4728654 45.446 4.974 0.740 11120632 45.378 5.389 0.741 3045262 41.717 1.822 0.694 45331448 41.684 4.813 0.697 3737066 46.126 0.239 0.856 15413144 45.978 2.138 0.872 46489180 45.936 2.930 0.875 6530532 45.997 3.841 0.863 6054851 45.948 4.059 0.876 34216972 46.126 5.193 0.856 17068472 45.943 7.068 0.876 6045188 45.973 6.956 0.877 4404281 46.686 0.243 0.837 17901128 46.852 1.413 0.834 8333309 46.670 1.720 0.839 41205956 46.492 1.936 0.840 8870041 46.735 3.845 0.838 4330282 46.337 4.472 0.832 37367520 45.784 1.379 0.533 40483356 45.773 1.624 0.532 6615046 45.758 1.514 0.532 7229400 45.778 1.757 0.534 27648536 45.779 2.151 0.532 4278540 45.799 2.480 0.535 4827283 45.764 2.993 0.535 5778404 45.782 4.976 0.533 30178176 45.770 4.824 0.533 6649112 45.793 4.468 0.533 6350347 45.767 5.239 0.533 25795556 46.453 0.089 0.687 4119818 46.380 1.083 0.681 15764768 46.529 1.378 0.681 44909312 46.499 2.983 0.682 4699974 46.433 2.773 0.703 5988943 46.515 7.164 0.679 3129590 46.085 2.157 0.834 68927808 46.182 2.853 0.822 11876270 46.106 3.620 0.828 3804305 46.108 4.670 0.832 4244754 46.149 4.962 0.831 10371632 46.199 5.239 0.823 38278372 47.151 0.424 0.963 25368066 47.118 1.398 0.962 18933220 47.153 1.756 0.962 32752664 47.164 1.636 0.961 9297660 47.133 1.895 0.961 6332031 47.259 2.784 0.966 4692944 47.142 3.396 0.963 22865688 47.149 3.639 0.962 9846413 47.061 4.614 0.965 3941064 47.096 4.410 0.959 3754004 47.147 4.820 0.964 21206576 44.396 2.155 0.720 39467104 42.492 1.847 0.238 26362708 42.502 1.735 0.237 6879874 45.327 2.076 1.024 30726750 45.441 3.905 0.995 35253984 45.373 4.415 1.028 22324408 45.312 6.481 1.024 10058836 45.321 7.068 1.022 8561394 45.309 6.948 1.024 11762083 45.684 2.077 1.178 19648936 45.660 3.850 1.176 5289969 45.693 4.054 1.177 2981816 45.682 4.417 1.177 22746120 45.043 0.231 0.840 29712584 45.104 1.226 0.835 10984300 45.080 1.378 0.841 10129347 45.048 1.792 0.839 10004452 45.035 2.186 0.840 44777260 45.031 1.977 0.851 5067252 45.001 1.646 0.835 4841906 45.047 2.415 0.838 5796999 45.042 3.640 0.841 30280810 45.039 3.843 0.840 8290175 45.058 4.078 0.842 4486349 46.827 1.739 1.056 4613136 46.597 2.069 1.059 12507335 46.589 2.182 1.061 46020848 46.613 2.136 1.029 34892756 46.595 2.427 1.062 16382129 46.666 4.089 1.062 9460626 44.379 1.070 0.717 33123474 44.390 4.533 0.720 12820960 44.348 4.404 0.718 3939904 44.400 4.976 0.720 18242872 47.261 1.789 0.835 42954176 47.310 3.703 0.834 14212682 47.316 4.096 0.834 17914106 47.316 4.313 0.834 29597712 47.345 4.665 0.836 7152812 47.250 4.985 0.831 5850629 47.298 4.807 0.834 15161043 45.790 4.569 0.933 14232820 45.439 4.543 0.996 19883884 45.752 4.814 1.060 8000440 45.354 1.580 0.736 77883544 45.822 2.410 0.918 13148998 45.840 2.277 0.917 10308215 45.751 2.732 0.938 11676110 45.824 3.884 0.918 33260112 45.800 4.966 0.918 6773585 46.689 0.413 1.025 11673114 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 1H 1 H . 9803.922 . . . 15203 3 2 13C 13 C 1 4224.757 . . . 15203 3 3 1H 1 H 1 9803.922 . . . 15203 3 stop_ save_