data_16961 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16961 _Entry.Title ; Solution NMR structure of Dsy0195(21-82) protein from Desulfitobacterium Hafniense. Northeast Structural Genomics Consortium Target DhR8C. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-05-27 _Entry.Accession_date 2010-05-27 _Entry.Last_release_date 2012-08-02 _Entry.Original_release_date 2012-08-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Yunhuang Yang . . . 16961 2 Theresa Ramelot . A. . 16961 3 John Cort . R. . 16961 4 Huang Wang . . . 16961 5 Colleen Ciccosanti . . . 16961 6 Erica Foote . L. . 16961 7 Mei Jiang . . . 16961 8 Haleema Janjua . . . 16961 9 Thomas Acton . B. . 16961 10 Rong Xiao . . . 16961 11 John Everett . K. . 16961 12 Gaetano Montelione . T. . 16961 13 Michael Kennedy . A. . 16961 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 16961 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Desulfitobacterium Hafniense' . 16961 'YabP family' . 16961 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16961 spectral_peak_list 3 16961 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 289 16961 '15N chemical shifts' 69 16961 '1H chemical shifts' 482 16961 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-08-02 2010-05-27 original author . 16961 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KYI 'BMRB Entry Tracking System' 16961 stop_ save_ ############### # Citations # ############### save_YabP_family _Citation.Sf_category citations _Citation.Sf_framecode YabP_family _Citation.Entry_ID 16961 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21904870 _Citation.Full_citation . _Citation.Title 'Solution NMR structure of Dsy0195 homodimer from Desulfitobacterium hafniense: first structure representative of the YabP domain family of proteins involved in spore coat assembly' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Struct. Funct. Genomics' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 3 _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 175 _Citation.Page_last 179 _Citation.Year 2011 _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 Yunhuang Yang . . . 16961 1 2 Theresa Ramelot . A. . 16961 1 3 John Cort . R. . 16961 1 4 Huang Wang . . . 16961 1 5 Colleen Ciccosanti . . . 16961 1 6 Erica Foote . L. . 16961 1 7 Mei Jiang . . . 16961 1 8 Haleema Janjua . . . 16961 1 9 Thomas Acton . B. . 16961 1 10 Rong Xiao . . . 16961 1 11 John Everett . K. . 16961 1 12 Gaetano Montelione . T. . 16961 1 13 Michael Kennedy . A. . 16961 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Desulfitobacterium Hafniense' 16961 1 'Dsy0195 gene' 16961 1 'Solution NMR' 16961 1 'YabP family' 16961 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16961 _Assembly.ID 1 _Assembly.Name Dsy0195(21-82)_protein _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 13583.6 _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 'Dsy0195(21-82) protein' 1 $Dsy0195(21-82)_protein A . yes native no no . . . 16961 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Dsy0195(21-82)_protein _Entity.Sf_category entity _Entity.Sf_framecode Dsy0195(21-82)_protein _Entity.Entry_ID 16961 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Dsy0195(21-82)_protein _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID 'A and B' _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDNRQFLSLTGVSKVQSFDP KEILLETIQGVLSIKGEKLG IKHLDLKAGQVEVEGLIDAL VYPLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; residues 21-82 of Dsy0195(21-82) protein from Desulfitobacterium Hafniense, preceded by non-native N-terminal Met and followed by 8 non-native C-terminal residues (LEHHHHHH) ; _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 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13583.6 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16656 . Q251Q8_DESHY . . . . . 100.00 71 100.00 100.00 3.37e-41 . . . . 16961 1 2 no PDB 2KS0 . "Solution Nmr Structure Of The Q251q8_deshy(21-82) Protein From Desulfitobacterium Hafniense, Northeast Structural Genomics Cons" . . . . . 100.00 71 100.00 100.00 3.37e-41 . . . . 16961 1 3 no PDB 2KYI . "Solution Nmr Structure Of Dsy0195(21-82) Protein From Desulfitobacterium Hafniense. Northeast Structural Genomics Consortium Ta" . . . . . 100.00 71 100.00 100.00 3.37e-41 . . . . 16961 1 4 no PDB 3IPF . "Crystal Structure Of The Q251q8_deshy Protein From Desulfitobacterium Hafniense. Northeast Structural Genomics Consortium Targe" . . . . . 100.00 71 100.00 100.00 3.37e-41 . . . . 16961 1 5 no DBJ BAE81984 . "hypothetical protein [Desulfitobacterium hafniense Y51]" . . . . . 88.73 97 100.00 100.00 3.61e-35 . . . . 16961 1 6 no EMBL CDX00176 . "Sporulation protein YabP [Desulfitobacterium hafniense]" . . . . . 88.73 89 100.00 100.00 2.07e-35 . . . . 16961 1 7 no GB ACL18206 . "sporulation protein YabP [Desulfitobacterium hafniense DCB-2]" . . . . . 88.73 89 100.00 100.00 2.07e-35 . . . . 16961 1 8 no GB EHL08222 . "sporulation protein YabP [Desulfitobacterium hafniense DP7]" . . . . . 88.73 97 100.00 100.00 3.61e-35 . . . . 16961 1 9 no REF WP_015942592 . "sporulation protein YabP [Desulfitobacterium hafniense]" . . . . . 88.73 89 100.00 100.00 2.07e-35 . . . . 16961 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'YabP family' 16961 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 . 16961 1 2 . ASP . 16961 1 3 . ASN . 16961 1 4 . ARG . 16961 1 5 . GLN . 16961 1 6 . PHE . 16961 1 7 . LEU . 16961 1 8 . SER . 16961 1 9 . LEU . 16961 1 10 . THR . 16961 1 11 . GLY . 16961 1 12 . VAL . 16961 1 13 . SER . 16961 1 14 . LYS . 16961 1 15 . VAL . 16961 1 16 . GLN . 16961 1 17 . SER . 16961 1 18 . PHE . 16961 1 19 . ASP . 16961 1 20 . PRO . 16961 1 21 . LYS . 16961 1 22 . GLU . 16961 1 23 . ILE . 16961 1 24 . LEU . 16961 1 25 . LEU . 16961 1 26 . GLU . 16961 1 27 . THR . 16961 1 28 . ILE . 16961 1 29 . GLN . 16961 1 30 . GLY . 16961 1 31 . VAL . 16961 1 32 . LEU . 16961 1 33 . SER . 16961 1 34 . ILE . 16961 1 35 . LYS . 16961 1 36 . GLY . 16961 1 37 . GLU . 16961 1 38 . LYS . 16961 1 39 . LEU . 16961 1 40 . GLY . 16961 1 41 . ILE . 16961 1 42 . LYS . 16961 1 43 . HIS . 16961 1 44 . LEU . 16961 1 45 . ASP . 16961 1 46 . LEU . 16961 1 47 . LYS . 16961 1 48 . ALA . 16961 1 49 . GLY . 16961 1 50 . GLN . 16961 1 51 . VAL . 16961 1 52 . GLU . 16961 1 53 . VAL . 16961 1 54 . GLU . 16961 1 55 . GLY . 16961 1 56 . LEU . 16961 1 57 . ILE . 16961 1 58 . ASP . 16961 1 59 . ALA . 16961 1 60 . LEU . 16961 1 61 . VAL . 16961 1 62 . TYR . 16961 1 63 . PRO . 16961 1 64 . LEU . 16961 1 65 . GLU . 16961 1 66 . HIS . 16961 1 67 . HIS . 16961 1 68 . HIS . 16961 1 69 . HIS . 16961 1 70 . HIS . 16961 1 71 . HIS . 16961 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 16961 1 . ASP 2 2 16961 1 . ASN 3 3 16961 1 . ARG 4 4 16961 1 . GLN 5 5 16961 1 . PHE 6 6 16961 1 . LEU 7 7 16961 1 . SER 8 8 16961 1 . LEU 9 9 16961 1 . THR 10 10 16961 1 . GLY 11 11 16961 1 . VAL 12 12 16961 1 . SER 13 13 16961 1 . LYS 14 14 16961 1 . VAL 15 15 16961 1 . GLN 16 16 16961 1 . SER 17 17 16961 1 . PHE 18 18 16961 1 . ASP 19 19 16961 1 . PRO 20 20 16961 1 . LYS 21 21 16961 1 . GLU 22 22 16961 1 . ILE 23 23 16961 1 . LEU 24 24 16961 1 . LEU 25 25 16961 1 . GLU 26 26 16961 1 . THR 27 27 16961 1 . ILE 28 28 16961 1 . GLN 29 29 16961 1 . GLY 30 30 16961 1 . VAL 31 31 16961 1 . LEU 32 32 16961 1 . SER 33 33 16961 1 . ILE 34 34 16961 1 . LYS 35 35 16961 1 . GLY 36 36 16961 1 . GLU 37 37 16961 1 . LYS 38 38 16961 1 . LEU 39 39 16961 1 . GLY 40 40 16961 1 . ILE 41 41 16961 1 . LYS 42 42 16961 1 . HIS 43 43 16961 1 . LEU 44 44 16961 1 . ASP 45 45 16961 1 . LEU 46 46 16961 1 . LYS 47 47 16961 1 . ALA 48 48 16961 1 . GLY 49 49 16961 1 . GLN 50 50 16961 1 . VAL 51 51 16961 1 . GLU 52 52 16961 1 . VAL 53 53 16961 1 . GLU 54 54 16961 1 . GLY 55 55 16961 1 . LEU 56 56 16961 1 . ILE 57 57 16961 1 . ASP 58 58 16961 1 . ALA 59 59 16961 1 . LEU 60 60 16961 1 . VAL 61 61 16961 1 . TYR 62 62 16961 1 . PRO 63 63 16961 1 . LEU 64 64 16961 1 . GLU 65 65 16961 1 . HIS 66 66 16961 1 . HIS 67 67 16961 1 . HIS 68 68 16961 1 . HIS 69 69 16961 1 . HIS 70 70 16961 1 . HIS 71 71 16961 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 16961 _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 $Dsy0195(21-82)_protein . 49338 organism . 'Desulfitobacterium Hafniense' 'Desulfitobacterium Hafniense' . . Bacteria . Desulfitobacterium Hafniense . . . . . . . . . . . . . . . . Dsy0195 . 'with a C-terminal His-tag(LEHHHHHH)' . . 16961 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 16961 _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 $Dsy0195(21-82)_protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3) pMGK' . . . . . . . . . . . . . . . 'pET 21-23C' . . . . . . 16961 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC_sample _Sample.Sf_category sample _Sample.Sf_framecode NC_sample _Sample.Entry_ID 16961 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Dsy0195(21-82) protein' '[U-100% 13C; U-100% 15N]' . . 1 $Dsy0195(21-82)_protein . . 1.0 . . mM 0.1 . . . 16961 1 2 'ammonium acetate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 16961 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM 10 . . . 16961 1 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.2 . . . 16961 1 5 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 16961 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 16961 1 stop_ save_ save_NC5_sample _Sample.Sf_category sample _Sample.Sf_framecode NC5_sample _Sample.Entry_ID 16961 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Dsy0195(21-82) protein' '[U-5% 13C; U-100% 15N]' . . 1 $Dsy0195(21-82)_protein . . 1 . . mM 0.09 . . . 16961 2 2 'ammonium acetate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 16961 2 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM 10 . . . 16961 2 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.2 . . . 16961 2 5 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 16961 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 16961 2 stop_ save_ save_NC_sample_in_D2O _Sample.Sf_category sample _Sample.Sf_framecode NC_sample_in_D2O _Sample.Entry_ID 16961 _Sample.ID 3 _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 'Dsy0195(21-82) protein' '[U-100% 13C; U-100% 15N]' . . 1 $Dsy0195(21-82)_protein . . 1.0 . . mM 0.1 . . . 16961 3 2 'ammonium acetate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 16961 3 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM 10 . . . 16961 3 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.2 . . . 16961 3 5 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 16961 3 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 16961 3 stop_ save_ save_NC50_sample _Sample.Sf_category sample _Sample.Sf_framecode NC50_sample _Sample.Entry_ID 16961 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'mixture of [U-100% 13C; U-100% 15N]DhR8C and natural abundance DhR8C at a concentration ratio 1:1(mM:mM).' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Dsy0195(21-82) protein' '[U-100% 13C; U-100% 15N]' . . 1 $Dsy0195(21-82)_protein . . 1.0 . . mM 0.1 . . . 16961 4 2 'Dsy0195(21-82) protein' 'natural abundance' . . 1 $Dsy0195(21-82)_protein . . 1.0 . . mM 0.1 . . . 16961 4 3 'ammonium acetate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 16961 4 4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM 10 . . . 16961 4 5 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.2 . . . 16961 4 6 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 16961 4 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 16961 4 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 16961 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 0.02 M 16961 1 pH 4.5 0.1 pH 16961 1 pressure 1 . atm 16961 1 temperature 293 1 K 16961 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16961 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2008 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16961 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16961 1 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 16961 _Software.ID 2 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16961 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16961 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16961 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 2.1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16961 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16961 3 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 16961 _Software.ID 4 _Software.Name AutoStruct _Software.Version 2.2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 16961 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16961 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16961 _Software.ID 5 _Software.Name 'X-PLOR NIH' _Software.Version 2.20 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16961 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16961 5 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16961 _Software.ID 6 _Software.Name CNS _Software.Version 1.2 _Software.Details 'water refinement' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16961 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16961 6 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16961 _Software.ID 7 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16961 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16961 7 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 16961 _Software.ID 8 _Software.Name PSVS _Software.Version 1.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 16961 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16961 8 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 16961 _Software.ID 9 _Software.Name AutoAssign _Software.Version 2.30 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 16961 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16961 9 stop_ save_ save_PDBSTAT _Software.Sf_category software _Software.Sf_framecode PDBSTAT _Software.Entry_ID 16961 _Software.ID 10 _Software.Name PDBStat _Software.Version 5.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(PdbStat)-Roberto Tejero and Gaetano T. Montelione' . . 16961 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16961 10 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16961 _Software.ID 11 _Software.Name CYANA _Software.Version 2.1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16961 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16961 11 'structure solution' 16961 11 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_600 _NMR_spectrometer.Entry_ID 16961 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_850 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_850 _NMR_spectrometer.Entry_ID 16961 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 16961 _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_600 Varian INOVA . 600 . . . 16961 1 2 spectrometer_850 Bruker AvanceIII . 850 . . . 16961 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 16961 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_850 . . . . . . . . . . . . . . . . 16961 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_850 . . . . . . . . . . . . . . . . 16961 1 3 '2D 1H-13C HSQC_CT' no . . . . . . . . . . 2 $NC5_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_850 . . . . . . . . . . . . . . . . 16961 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_850 . . . . . . . . . . . . . . . . 16961 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_850 . . . . . . . . . . . . . . . . 16961 1 6 '3D HNCO' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16961 1 7 '3D HNCA' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16961 1 8 '3D HNCACB' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16961 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16961 1 10 '3D HN(CO)CA' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16961 1 11 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16961 1 12 '3D H(CCO)NH' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16961 1 13 '3D C(CO)NH' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16961 1 14 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16961 1 15 '3D HCCH-COSY' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16961 1 16 '3D (H)CCH-TOCSY' no . . . . . . . . . . 3 $NC_sample_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16961 1 17 '4D CC NOESY' no . . . . . . . . . . 3 $NC_sample_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16961 1 18 '3D edited/filtered Cnoesy' no . . . . . . . . . . 4 $NC50_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16961 1 19 '2D 1H-15N HSQC_Histidine' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16961 1 20 '2D 1H-15N HSQC_swN150ppm' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16961 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16961 _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 . . . . . . . . . 16961 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16961 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16961 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 16961 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16961 1 2 '2D 1H-13C HSQC' . . . 16961 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 7 $SPARKY . . 16961 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.1 0.02 . 1 . . . . 1 MET HA . 16961 1 2 . 1 1 1 1 MET HB2 H 1 2.14 0.02 . 2 . . . . 1 MET HB2 . 16961 1 3 . 1 1 1 1 MET HB3 H 1 2.14 0.02 . 2 . . . . 1 MET HB3 . 16961 1 4 . 1 1 1 1 MET HE1 H 1 2.08 0.02 . 1 . . . . 1 MET HE . 16961 1 5 . 1 1 1 1 MET HE2 H 1 2.08 0.02 . 1 . . . . 1 MET HE . 16961 1 6 . 1 1 1 1 MET HE3 H 1 2.08 0.02 . 1 . . . . 1 MET HE . 16961 1 7 . 1 1 1 1 MET HG2 H 1 2.56 0.02 . 2 . . . . 1 MET HG2 . 16961 1 8 . 1 1 1 1 MET HG3 H 1 2.56 0.02 . 2 . . . . 1 MET HG3 . 16961 1 9 . 1 1 1 1 MET C C 13 171.7 0.2 . 1 . . . . 1 MET C . 16961 1 10 . 1 1 1 1 MET CA C 13 55.1 0.2 . 1 . . . . 1 MET CA . 16961 1 11 . 1 1 1 1 MET CB C 13 32.7 0.2 . 1 . . . . 1 MET CB . 16961 1 12 . 1 1 1 1 MET CE C 13 16.9 0.2 . 1 . . . . 1 MET CE . 16961 1 13 . 1 1 1 1 MET CG C 13 30.8 0.2 . 1 . . . . 1 MET CG . 16961 1 14 . 1 1 2 2 ASP H H 1 8.77 0.02 . 1 . . . . 2 ASP H . 16961 1 15 . 1 1 2 2 ASP HA H 1 4.63 0.02 . 1 . . . . 2 ASP HA . 16961 1 16 . 1 1 2 2 ASP HB2 H 1 2.65 0.02 . 2 . . . . 2 ASP HB2 . 16961 1 17 . 1 1 2 2 ASP HB3 H 1 2.78 0.02 . 2 . . . . 2 ASP HB3 . 16961 1 18 . 1 1 2 2 ASP C C 13 175.3 0.2 . 1 . . . . 2 ASP C . 16961 1 19 . 1 1 2 2 ASP CA C 13 54 0.2 . 1 . . . . 2 ASP CA . 16961 1 20 . 1 1 2 2 ASP CB C 13 41.1 0.2 . 1 . . . . 2 ASP CB . 16961 1 21 . 1 1 2 2 ASP N N 15 123.9 0.2 . 1 . . . . 2 ASP N . 16961 1 22 . 1 1 3 3 ASN H H 1 8.56 0.02 . 1 . . . . 3 ASN H . 16961 1 23 . 1 1 3 3 ASN HA H 1 4.72 0.02 . 1 . . . . 3 ASN HA . 16961 1 24 . 1 1 3 3 ASN HB2 H 1 2.69 0.02 . 2 . . . . 3 ASN HB2 . 16961 1 25 . 1 1 3 3 ASN HB3 H 1 2.88 0.02 . 2 . . . . 3 ASN HB3 . 16961 1 26 . 1 1 3 3 ASN HD21 H 1 7.54 0.02 . 2 . . . . 3 ASN HD21 . 16961 1 27 . 1 1 3 3 ASN HD22 H 1 6.82 0.02 . 2 . . . . 3 ASN HD22 . 16961 1 28 . 1 1 3 3 ASN C C 13 174.5 0.2 . 1 . . . . 3 ASN C . 16961 1 29 . 1 1 3 3 ASN CA C 13 52.9 0.2 . 1 . . . . 3 ASN CA . 16961 1 30 . 1 1 3 3 ASN CB C 13 38.3 0.2 . 1 . . . . 3 ASN CB . 16961 1 31 . 1 1 3 3 ASN CG C 13 176.7 0.2 . 1 . . . . 3 ASN CG . 16961 1 32 . 1 1 3 3 ASN N N 15 120.4 0.2 . 1 . . . . 3 ASN N . 16961 1 33 . 1 1 3 3 ASN ND2 N 15 111.6 0.2 . 1 . . . . 3 ASN ND2 . 16961 1 34 . 1 1 4 4 ARG H H 1 7.96 0.02 . 1 . . . . 4 ARG H . 16961 1 35 . 1 1 4 4 ARG HA H 1 3.94 0.02 . 1 . . . . 4 ARG HA . 16961 1 36 . 1 1 4 4 ARG HB2 H 1 1.51 0.02 . 2 . . . . 4 ARG HB2 . 16961 1 37 . 1 1 4 4 ARG HB3 H 1 1.69 0.02 . 2 . . . . 4 ARG HB3 . 16961 1 38 . 1 1 4 4 ARG HD2 H 1 3.07 0.02 . 2 . . . . 4 ARG HD2 . 16961 1 39 . 1 1 4 4 ARG HD3 H 1 3.14 0.02 . 2 . . . . 4 ARG HD3 . 16961 1 40 . 1 1 4 4 ARG HE H 1 7.75 0.02 . 1 . . . . 4 ARG HE . 16961 1 41 . 1 1 4 4 ARG HG2 H 1 1.29 0.02 . 2 . . . . 4 ARG HG2 . 16961 1 42 . 1 1 4 4 ARG HG3 H 1 1.52 0.02 . 2 . . . . 4 ARG HG3 . 16961 1 43 . 1 1 4 4 ARG C C 13 175.6 0.2 . 1 . . . . 4 ARG C . 16961 1 44 . 1 1 4 4 ARG CA C 13 57.2 0.2 . 1 . . . . 4 ARG CA . 16961 1 45 . 1 1 4 4 ARG CB C 13 30.7 0.2 . 1 . . . . 4 ARG CB . 16961 1 46 . 1 1 4 4 ARG CD C 13 43.4 0.2 . 1 . . . . 4 ARG CD . 16961 1 47 . 1 1 4 4 ARG CG C 13 27.3 0.2 . 1 . . . . 4 ARG CG . 16961 1 48 . 1 1 4 4 ARG N N 15 120.3 0.2 . 1 . . . . 4 ARG N . 16961 1 49 . 1 1 4 4 ARG NE N 15 114.2 0.2 . 1 . . . . 4 ARG NE . 16961 1 50 . 1 1 5 5 GLN H H 1 8.77 0.02 . 1 . . . . 5 GLN H . 16961 1 51 . 1 1 5 5 GLN HA H 1 4.23 0.02 . 1 . . . . 5 GLN HA . 16961 1 52 . 1 1 5 5 GLN HB2 H 1 1.80 0.02 . 2 . . . . 5 GLN HB2 . 16961 1 53 . 1 1 5 5 GLN HB3 H 1 1.94 0.02 . 2 . . . . 5 GLN HB3 . 16961 1 54 . 1 1 5 5 GLN HE21 H 1 8.46 0.02 . 2 . . . . 5 GLN HE21 . 16961 1 55 . 1 1 5 5 GLN HE22 H 1 6.15 0.02 . 2 . . . . 5 GLN HE22 . 16961 1 56 . 1 1 5 5 GLN HG2 H 1 2.24 0.02 . 2 . . . . 5 GLN HG2 . 16961 1 57 . 1 1 5 5 GLN HG3 H 1 2.24 0.02 . 2 . . . . 5 GLN HG3 . 16961 1 58 . 1 1 5 5 GLN C C 13 172.5 0.2 . 1 . . . . 5 GLN C . 16961 1 59 . 1 1 5 5 GLN CA C 13 54.7 0.2 . 1 . . . . 5 GLN CA . 16961 1 60 . 1 1 5 5 GLN CB C 13 34.2 0.2 . 1 . . . . 5 GLN CB . 16961 1 61 . 1 1 5 5 GLN CD C 13 179.8 0.2 . 1 . . . . 5 GLN CD . 16961 1 62 . 1 1 5 5 GLN CG C 13 35.0 0.2 . 1 . . . . 5 GLN CG . 16961 1 63 . 1 1 5 5 GLN N N 15 122.8 0.2 . 1 . . . . 5 GLN N . 16961 1 64 . 1 1 5 5 GLN NE2 N 15 111 0.2 . 1 . . . . 5 GLN NE2 . 16961 1 65 . 1 1 6 6 PHE H H 1 8.01 0.02 . 1 . . . . 6 PHE H . 16961 1 66 . 1 1 6 6 PHE HA H 1 5.36 0.02 . 1 . . . . 6 PHE HA . 16961 1 67 . 1 1 6 6 PHE HB2 H 1 2.92 0.02 . 2 . . . . 6 PHE HB2 . 16961 1 68 . 1 1 6 6 PHE HB3 H 1 3.01 0.02 . 2 . . . . 6 PHE HB3 . 16961 1 69 . 1 1 6 6 PHE HD1 H 1 7.17 0.02 . 3 . . . . 6 PHE HD1 . 16961 1 70 . 1 1 6 6 PHE HD2 H 1 7.17 0.02 . 3 . . . . 6 PHE HD2 . 16961 1 71 . 1 1 6 6 PHE HE1 H 1 7.18 0.02 . 3 . . . . 6 PHE HE1 . 16961 1 72 . 1 1 6 6 PHE HE2 H 1 7.18 0.02 . 3 . . . . 6 PHE HE2 . 16961 1 73 . 1 1 6 6 PHE HZ H 1 7.30 0.02 . 1 . . . . 6 PHE HZ . 16961 1 74 . 1 1 6 6 PHE C C 13 174.7 0.2 . 1 . . . . 6 PHE C . 16961 1 75 . 1 1 6 6 PHE CA C 13 56.4 0.2 . 1 . . . . 6 PHE CA . 16961 1 76 . 1 1 6 6 PHE CB C 13 40.9 0.2 . 1 . . . . 6 PHE CB . 16961 1 77 . 1 1 6 6 PHE CD1 C 13 132.0 0.2 . 3 . . . . 6 PHE CD1 . 16961 1 78 . 1 1 6 6 PHE CD2 C 13 132.0 0.2 . 3 . . . . 6 PHE CD2 . 16961 1 79 . 1 1 6 6 PHE CE1 C 13 131.1 0.2 . 3 . . . . 6 PHE CE1 . 16961 1 80 . 1 1 6 6 PHE CE2 C 13 131.1 0.2 . 3 . . . . 6 PHE CE2 . 16961 1 81 . 1 1 6 6 PHE CZ C 13 130.0 0.2 . 1 . . . . 6 PHE CZ . 16961 1 82 . 1 1 6 6 PHE N N 15 118.1 0.2 . 1 . . . . 6 PHE N . 16961 1 83 . 1 1 7 7 LEU H H 1 9.01 0.02 . 1 . . . . 7 LEU H . 16961 1 84 . 1 1 7 7 LEU HA H 1 5.45 0.02 . 1 . . . . 7 LEU HA . 16961 1 85 . 1 1 7 7 LEU HB2 H 1 1.28 0.02 . 2 . . . . 7 LEU HB2 . 16961 1 86 . 1 1 7 7 LEU HB3 H 1 1.44 0.02 . 2 . . . . 7 LEU HB3 . 16961 1 87 . 1 1 7 7 LEU HD11 H 1 0.59 0.02 . 2 . . . . 7 LEU HD1 . 16961 1 88 . 1 1 7 7 LEU HD12 H 1 0.59 0.02 . 2 . . . . 7 LEU HD1 . 16961 1 89 . 1 1 7 7 LEU HD13 H 1 0.59 0.02 . 2 . . . . 7 LEU HD1 . 16961 1 90 . 1 1 7 7 LEU HD21 H 1 0.6 0.02 . 2 . . . . 7 LEU HD2 . 16961 1 91 . 1 1 7 7 LEU HD22 H 1 0.6 0.02 . 2 . . . . 7 LEU HD2 . 16961 1 92 . 1 1 7 7 LEU HD23 H 1 0.6 0.02 . 2 . . . . 7 LEU HD2 . 16961 1 93 . 1 1 7 7 LEU HG H 1 1.54 0.02 . 1 . . . . 7 LEU HG . 16961 1 94 . 1 1 7 7 LEU C C 13 174.7 0.2 . 1 . . . . 7 LEU C . 16961 1 95 . 1 1 7 7 LEU CA C 13 53.6 0.2 . 1 . . . . 7 LEU CA . 16961 1 96 . 1 1 7 7 LEU CB C 13 46.0 0.2 . 1 . . . . 7 LEU CB . 16961 1 97 . 1 1 7 7 LEU CD1 C 13 25.2 0.2 . 2 . . . . 7 LEU CD1 . 16961 1 98 . 1 1 7 7 LEU CD2 C 13 25.4 0.2 . 2 . . . . 7 LEU CD2 . 16961 1 99 . 1 1 7 7 LEU CG C 13 27.5 0.2 . 1 . . . . 7 LEU CG . 16961 1 100 . 1 1 7 7 LEU N N 15 126.9 0.2 . 1 . . . . 7 LEU N . 16961 1 101 . 1 1 8 8 SER H H 1 9.32 0.02 . 1 . . . . 8 SER H . 16961 1 102 . 1 1 8 8 SER HA H 1 5.73 0.02 . 1 . . . . 8 SER HA . 16961 1 103 . 1 1 8 8 SER HB2 H 1 3.84 0.02 . 2 . . . . 8 SER HB2 . 16961 1 104 . 1 1 8 8 SER HB3 H 1 3.84 0.02 . 2 . . . . 8 SER HB3 . 16961 1 105 . 1 1 8 8 SER C C 13 172.4 0.2 . 1 . . . . 8 SER C . 16961 1 106 . 1 1 8 8 SER CA C 13 56.2 0.2 . 1 . . . . 8 SER CA . 16961 1 107 . 1 1 8 8 SER CB C 13 65.8 0.2 . 1 . . . . 8 SER CB . 16961 1 108 . 1 1 8 8 SER N N 15 122 0.2 . 1 . . . . 8 SER N . 16961 1 109 . 1 1 9 9 LEU H H 1 8.59 0.02 . 1 . . . . 9 LEU H . 16961 1 110 . 1 1 9 9 LEU HA H 1 5.58 0.02 . 1 . . . . 9 LEU HA . 16961 1 111 . 1 1 9 9 LEU HB2 H 1 1.26 0.02 . 2 . . . . 9 LEU HB2 . 16961 1 112 . 1 1 9 9 LEU HB3 H 1 1.52 0.02 . 2 . . . . 9 LEU HB3 . 16961 1 113 . 1 1 9 9 LEU HD11 H 1 0.77 0.02 . 2 . . . . 9 LEU HD1 . 16961 1 114 . 1 1 9 9 LEU HD12 H 1 0.77 0.02 . 2 . . . . 9 LEU HD1 . 16961 1 115 . 1 1 9 9 LEU HD13 H 1 0.77 0.02 . 2 . . . . 9 LEU HD1 . 16961 1 116 . 1 1 9 9 LEU HD21 H 1 0.53 0.02 . 2 . . . . 9 LEU HD2 . 16961 1 117 . 1 1 9 9 LEU HD22 H 1 0.53 0.02 . 2 . . . . 9 LEU HD2 . 16961 1 118 . 1 1 9 9 LEU HD23 H 1 0.53 0.02 . 2 . . . . 9 LEU HD2 . 16961 1 119 . 1 1 9 9 LEU HG H 1 2.03 0.02 . 1 . . . . 9 LEU HG . 16961 1 120 . 1 1 9 9 LEU C C 13 175.7 0.2 . 1 . . . . 9 LEU C . 16961 1 121 . 1 1 9 9 LEU CA C 13 54.1 0.2 . 1 . . . . 9 LEU CA . 16961 1 122 . 1 1 9 9 LEU CB C 13 47.4 0.2 . 1 . . . . 9 LEU CB . 16961 1 123 . 1 1 9 9 LEU CD1 C 13 24.3 0.2 . 2 . . . . 9 LEU CD1 . 16961 1 124 . 1 1 9 9 LEU CD2 C 13 25.9 0.2 . 2 . . . . 9 LEU CD2 . 16961 1 125 . 1 1 9 9 LEU CG C 13 26.1 0.2 . 1 . . . . 9 LEU CG . 16961 1 126 . 1 1 9 9 LEU N N 15 124.3 0.2 . 1 . . . . 9 LEU N . 16961 1 127 . 1 1 10 10 THR H H 1 7.62 0.02 . 1 . . . . 10 THR H . 16961 1 128 . 1 1 10 10 THR HA H 1 5.35 0.02 . 1 . . . . 10 THR HA . 16961 1 129 . 1 1 10 10 THR HB H 1 4.81 0.02 . 1 . . . . 10 THR HB . 16961 1 130 . 1 1 10 10 THR HG21 H 1 1.38 0.02 . 1 . . . . 10 THR HG2 . 16961 1 131 . 1 1 10 10 THR HG22 H 1 1.38 0.02 . 1 . . . . 10 THR HG2 . 16961 1 132 . 1 1 10 10 THR HG23 H 1 1.38 0.02 . 1 . . . . 10 THR HG2 . 16961 1 133 . 1 1 10 10 THR C C 13 175.1 0.2 . 1 . . . . 10 THR C . 16961 1 134 . 1 1 10 10 THR CA C 13 61 0.2 . 1 . . . . 10 THR CA . 16961 1 135 . 1 1 10 10 THR CB C 13 70 0.2 . 1 . . . . 10 THR CB . 16961 1 136 . 1 1 10 10 THR CG2 C 13 22.9 0.2 . 1 . . . . 10 THR CG2 . 16961 1 137 . 1 1 10 10 THR N N 15 111.8 0.2 . 1 . . . . 10 THR N . 16961 1 138 . 1 1 11 11 GLY H H 1 8.91 0.02 . 1 . . . . 11 GLY H . 16961 1 139 . 1 1 11 11 GLY HA2 H 1 4.02 0.02 . 2 . . . . 11 GLY HA2 . 16961 1 140 . 1 1 11 11 GLY HA3 H 1 4.02 0.02 . 2 . . . . 11 GLY HA3 . 16961 1 141 . 1 1 11 11 GLY C C 13 176.6 0.2 . 1 . . . . 11 GLY C . 16961 1 142 . 1 1 11 11 GLY CA C 13 47.1 0.2 . 1 . . . . 11 GLY CA . 16961 1 143 . 1 1 11 11 GLY N N 15 107.5 0.2 . 1 . . . . 11 GLY N . 16961 1 144 . 1 1 12 12 VAL H H 1 9.25 0.02 . 1 . . . . 12 VAL H . 16961 1 145 . 1 1 12 12 VAL HA H 1 4.07 0.02 . 1 . . . . 12 VAL HA . 16961 1 146 . 1 1 12 12 VAL HB H 1 1.7 0.02 . 1 . . . . 12 VAL HB . 16961 1 147 . 1 1 12 12 VAL HG11 H 1 0.76 0.02 . 2 . . . . 12 VAL HG1 . 16961 1 148 . 1 1 12 12 VAL HG12 H 1 0.76 0.02 . 2 . . . . 12 VAL HG1 . 16961 1 149 . 1 1 12 12 VAL HG13 H 1 0.76 0.02 . 2 . . . . 12 VAL HG1 . 16961 1 150 . 1 1 12 12 VAL HG21 H 1 0.68 0.02 . 2 . . . . 12 VAL HG2 . 16961 1 151 . 1 1 12 12 VAL HG22 H 1 0.68 0.02 . 2 . . . . 12 VAL HG2 . 16961 1 152 . 1 1 12 12 VAL HG23 H 1 0.68 0.02 . 2 . . . . 12 VAL HG2 . 16961 1 153 . 1 1 12 12 VAL C C 13 174.7 0.2 . 1 . . . . 12 VAL C . 16961 1 154 . 1 1 12 12 VAL CA C 13 62.8 0.2 . 1 . . . . 12 VAL CA . 16961 1 155 . 1 1 12 12 VAL CB C 13 32.4 0.2 . 1 . . . . 12 VAL CB . 16961 1 156 . 1 1 12 12 VAL CG1 C 13 21.9 0.2 . 2 . . . . 12 VAL CG1 . 16961 1 157 . 1 1 12 12 VAL CG2 C 13 22.0 0.2 . 2 . . . . 12 VAL CG2 . 16961 1 158 . 1 1 12 12 VAL N N 15 126.1 0.2 . 1 . . . . 12 VAL N . 16961 1 159 . 1 1 13 13 SER H H 1 8.83 0.02 . 1 . . . . 13 SER H . 16961 1 160 . 1 1 13 13 SER HA H 1 4.53 0.02 . 1 . . . . 13 SER HA . 16961 1 161 . 1 1 13 13 SER HB2 H 1 3.72 0.02 . 2 . . . . 13 SER HB2 . 16961 1 162 . 1 1 13 13 SER HB3 H 1 3.79 0.02 . 2 . . . . 13 SER HB3 . 16961 1 163 . 1 1 13 13 SER C C 13 174.8 0.2 . 1 . . . . 13 SER C . 16961 1 164 . 1 1 13 13 SER CA C 13 59 0.2 . 1 . . . . 13 SER CA . 16961 1 165 . 1 1 13 13 SER CB C 13 64.1 0.2 . 1 . . . . 13 SER CB . 16961 1 166 . 1 1 13 13 SER N N 15 120.6 0.2 . 1 . . . . 13 SER N . 16961 1 167 . 1 1 14 14 LYS H H 1 7.4 0.02 . 1 . . . . 14 LYS H . 16961 1 168 . 1 1 14 14 LYS HA H 1 4.37 0.02 . 1 . . . . 14 LYS HA . 16961 1 169 . 1 1 14 14 LYS HB2 H 1 1.65 0.02 . 2 . . . . 14 LYS HB2 . 16961 1 170 . 1 1 14 14 LYS HB3 H 1 1.79 0.02 . 2 . . . . 14 LYS HB3 . 16961 1 171 . 1 1 14 14 LYS HD2 H 1 1.62 0.02 . 2 . . . . 14 LYS HD2 . 16961 1 172 . 1 1 14 14 LYS HD3 H 1 1.62 0.02 . 2 . . . . 14 LYS HD3 . 16961 1 173 . 1 1 14 14 LYS HE2 H 1 2.92 0.02 . 2 . . . . 14 LYS HE2 . 16961 1 174 . 1 1 14 14 LYS HE3 H 1 2.92 0.02 . 2 . . . . 14 LYS HE3 . 16961 1 175 . 1 1 14 14 LYS HG2 H 1 1.16 0.02 . 2 . . . . 14 LYS HG2 . 16961 1 176 . 1 1 14 14 LYS HG3 H 1 1.26 0.02 . 2 . . . . 14 LYS HG3 . 16961 1 177 . 1 1 14 14 LYS C C 13 174.6 0.2 . 1 . . . . 14 LYS C . 16961 1 178 . 1 1 14 14 LYS CA C 13 56.3 0.2 . 1 . . . . 14 LYS CA . 16961 1 179 . 1 1 14 14 LYS CB C 13 36.6 0.2 . 1 . . . . 14 LYS CB . 16961 1 180 . 1 1 14 14 LYS CD C 13 29.1 0.2 . 1 . . . . 14 LYS CD . 16961 1 181 . 1 1 14 14 LYS CE C 13 41.8 0.2 . 1 . . . . 14 LYS CE . 16961 1 182 . 1 1 14 14 LYS CG C 13 24.5 0.2 . 1 . . . . 14 LYS CG . 16961 1 183 . 1 1 14 14 LYS N N 15 117.9 0.2 . 1 . . . . 14 LYS N . 16961 1 184 . 1 1 15 15 VAL H H 1 8.90 0.02 . 1 . . . . 15 VAL H . 16961 1 185 . 1 1 15 15 VAL HA H 1 4.16 0.02 . 1 . . . . 15 VAL HA . 16961 1 186 . 1 1 15 15 VAL HB H 1 2.1 0.02 . 1 . . . . 15 VAL HB . 16961 1 187 . 1 1 15 15 VAL HG11 H 1 0.74 0.02 . 2 . . . . 15 VAL HG1 . 16961 1 188 . 1 1 15 15 VAL HG12 H 1 0.74 0.02 . 2 . . . . 15 VAL HG1 . 16961 1 189 . 1 1 15 15 VAL HG13 H 1 0.74 0.02 . 2 . . . . 15 VAL HG1 . 16961 1 190 . 1 1 15 15 VAL HG21 H 1 0.78 0.02 . 2 . . . . 15 VAL HG2 . 16961 1 191 . 1 1 15 15 VAL HG22 H 1 0.78 0.02 . 2 . . . . 15 VAL HG2 . 16961 1 192 . 1 1 15 15 VAL HG23 H 1 0.78 0.02 . 2 . . . . 15 VAL HG2 . 16961 1 193 . 1 1 15 15 VAL C C 13 175.3 0.2 . 1 . . . . 15 VAL C . 16961 1 194 . 1 1 15 15 VAL CA C 13 62.3 0.2 . 1 . . . . 15 VAL CA . 16961 1 195 . 1 1 15 15 VAL CB C 13 31.2 0.2 . 1 . . . . 15 VAL CB . 16961 1 196 . 1 1 15 15 VAL CG1 C 13 21.0 0.2 . 2 . . . . 15 VAL CG1 . 16961 1 197 . 1 1 15 15 VAL CG2 C 13 20.7 0.2 . 2 . . . . 15 VAL CG2 . 16961 1 198 . 1 1 15 15 VAL N N 15 124.8 0.2 . 1 . . . . 15 VAL N . 16961 1 199 . 1 1 16 16 GLN H H 1 8.64 0.02 . 1 . . . . 16 GLN H . 16961 1 200 . 1 1 16 16 GLN HA H 1 4.13 0.02 . 1 . . . . 16 GLN HA . 16961 1 201 . 1 1 16 16 GLN HB2 H 1 1.9 0.02 . 2 . . . . 16 GLN HB2 . 16961 1 202 . 1 1 16 16 GLN HB3 H 1 1.98 0.02 . 2 . . . . 16 GLN HB3 . 16961 1 203 . 1 1 16 16 GLN HE21 H 1 7.82 0.02 . 2 . . . . 16 GLN HE21 . 16961 1 204 . 1 1 16 16 GLN HE22 H 1 6.55 0.02 . 2 . . . . 16 GLN HE22 . 16961 1 205 . 1 1 16 16 GLN HG2 H 1 2.14 0.02 . 2 . . . . 16 GLN HG2 . 16961 1 206 . 1 1 16 16 GLN HG3 H 1 2.33 0.02 . 2 . . . . 16 GLN HG3 . 16961 1 207 . 1 1 16 16 GLN C C 13 176.2 0.2 . 1 . . . . 16 GLN C . 16961 1 208 . 1 1 16 16 GLN CA C 13 58.4 0.2 . 1 . . . . 16 GLN CA . 16961 1 209 . 1 1 16 16 GLN CB C 13 29.7 0.2 . 1 . . . . 16 GLN CB . 16961 1 210 . 1 1 16 16 GLN CD C 13 178.3 0.2 . 1 . . . . 16 GLN CD . 16961 1 211 . 1 1 16 16 GLN CG C 13 34 0.2 . 1 . . . . 16 GLN CG . 16961 1 212 . 1 1 16 16 GLN N N 15 128.8 0.2 . 1 . . . . 16 GLN N . 16961 1 213 . 1 1 16 16 GLN NE2 N 15 110 0.2 . 1 . . . . 16 GLN NE2 . 16961 1 214 . 1 1 17 17 SER H H 1 7.76 0.02 . 1 . . . . 17 SER H . 16961 1 215 . 1 1 17 17 SER HA H 1 4.56 0.02 . 1 . . . . 17 SER HA . 16961 1 216 . 1 1 17 17 SER HB2 H 1 3.70 0.02 . 2 . . . . 17 SER HB2 . 16961 1 217 . 1 1 17 17 SER HB3 H 1 3.82 0.02 . 2 . . . . 17 SER HB3 . 16961 1 218 . 1 1 17 17 SER C C 13 172.2 0.2 . 1 . . . . 17 SER C . 16961 1 219 . 1 1 17 17 SER CA C 13 58.0 0.2 . 1 . . . . 17 SER CA . 16961 1 220 . 1 1 17 17 SER CB C 13 64.4 0.2 . 1 . . . . 17 SER CB . 16961 1 221 . 1 1 17 17 SER N N 15 109.4 0.2 . 1 . . . . 17 SER N . 16961 1 222 . 1 1 18 18 PHE H H 1 8.88 0.02 . 1 . . . . 18 PHE H . 16961 1 223 . 1 1 18 18 PHE HA H 1 4.89 0.02 . 1 . . . . 18 PHE HA . 16961 1 224 . 1 1 18 18 PHE HB2 H 1 2.91 0.02 . 2 . . . . 18 PHE HB2 . 16961 1 225 . 1 1 18 18 PHE HB3 H 1 2.91 0.02 . 2 . . . . 18 PHE HB3 . 16961 1 226 . 1 1 18 18 PHE HD1 H 1 7.03 0.02 . 3 . . . . 18 PHE HD1 . 16961 1 227 . 1 1 18 18 PHE HD2 H 1 7.03 0.02 . 3 . . . . 18 PHE HD2 . 16961 1 228 . 1 1 18 18 PHE HE1 H 1 7.14 0.02 . 3 . . . . 18 PHE HE1 . 16961 1 229 . 1 1 18 18 PHE HE2 H 1 7.14 0.02 . 3 . . . . 18 PHE HE2 . 16961 1 230 . 1 1 18 18 PHE HZ H 1 7.18 0.02 . 1 . . . . 18 PHE HZ . 16961 1 231 . 1 1 18 18 PHE CA C 13 57.8 0.2 . 1 . . . . 18 PHE CA . 16961 1 232 . 1 1 18 18 PHE CB C 13 41.8 0.2 . 1 . . . . 18 PHE CB . 16961 1 233 . 1 1 18 18 PHE CD1 C 13 131.8 0.2 . 3 . . . . 18 PHE CD1 . 16961 1 234 . 1 1 18 18 PHE CD2 C 13 131.8 0.2 . 3 . . . . 18 PHE CD2 . 16961 1 235 . 1 1 18 18 PHE CE1 C 13 129.4 0.2 . 3 . . . . 18 PHE CE1 . 16961 1 236 . 1 1 18 18 PHE CE2 C 13 129.4 0.2 . 3 . . . . 18 PHE CE2 . 16961 1 237 . 1 1 18 18 PHE CZ C 13 130.4 0.2 . 1 . . . . 18 PHE CZ . 16961 1 238 . 1 1 18 18 PHE N N 15 123.5 0.2 . 1 . . . . 18 PHE N . 16961 1 239 . 1 1 19 19 ASP H H 1 7.70 0.02 . 1 . . . . 19 ASP H . 16961 1 240 . 1 1 19 19 ASP HA H 1 4.31 0.02 . 1 . . . . 19 ASP HA . 16961 1 241 . 1 1 19 19 ASP HB2 H 1 2.76 0.02 . 2 . . . . 19 ASP HB2 . 16961 1 242 . 1 1 19 19 ASP HB3 H 1 2.76 0.02 . 2 . . . . 19 ASP HB3 . 16961 1 243 . 1 1 19 19 ASP CA C 13 52.3 0.2 . 1 . . . . 19 ASP CA . 16961 1 244 . 1 1 19 19 ASP CB C 13 43.9 0.2 . 1 . . . . 19 ASP CB . 16961 1 245 . 1 1 19 19 ASP N N 15 128.6 0.2 . 1 . . . . 19 ASP N . 16961 1 246 . 1 1 20 20 PRO HA H 1 4.63 0.02 . 1 . . . . 20 PRO HA . 16961 1 247 . 1 1 20 20 PRO HB2 H 1 1.95 0.02 . 2 . . . . 20 PRO HB2 . 16961 1 248 . 1 1 20 20 PRO HB3 H 1 2.4 0.02 . 2 . . . . 20 PRO HB3 . 16961 1 249 . 1 1 20 20 PRO HD2 H 1 3.55 0.02 . 2 . . . . 20 PRO HD2 . 16961 1 250 . 1 1 20 20 PRO HD3 H 1 3.62 0.02 . 2 . . . . 20 PRO HD3 . 16961 1 251 . 1 1 20 20 PRO HG2 H 1 1.97 0.02 . 2 . . . . 20 PRO HG2 . 16961 1 252 . 1 1 20 20 PRO HG3 H 1 2.07 0.02 . 2 . . . . 20 PRO HG3 . 16961 1 253 . 1 1 20 20 PRO C C 13 175.3 0.2 . 1 . . . . 20 PRO C . 16961 1 254 . 1 1 20 20 PRO CA C 13 64.5 0.2 . 1 . . . . 20 PRO CA . 16961 1 255 . 1 1 20 20 PRO CB C 13 32.6 0.2 . 1 . . . . 20 PRO CB . 16961 1 256 . 1 1 20 20 PRO CD C 13 50.8 0.2 . 1 . . . . 20 PRO CD . 16961 1 257 . 1 1 20 20 PRO CG C 13 28.1 0.2 . 1 . . . . 20 PRO CG . 16961 1 258 . 1 1 21 21 LYS H H 1 8.33 0.02 . 1 . . . . 21 LYS H . 16961 1 259 . 1 1 21 21 LYS HA H 1 4.94 0.02 . 1 . . . . 21 LYS HA . 16961 1 260 . 1 1 21 21 LYS HB2 H 1 1.66 0.02 . 2 . . . . 21 LYS HB2 . 16961 1 261 . 1 1 21 21 LYS HB3 H 1 2.04 0.02 . 2 . . . . 21 LYS HB3 . 16961 1 262 . 1 1 21 21 LYS HD2 H 1 1.73 0.02 . 2 . . . . 21 LYS HD2 . 16961 1 263 . 1 1 21 21 LYS HD3 H 1 1.73 0.02 . 2 . . . . 21 LYS HD3 . 16961 1 264 . 1 1 21 21 LYS HE2 H 1 3.04 0.02 . 2 . . . . 21 LYS HE2 . 16961 1 265 . 1 1 21 21 LYS HE3 H 1 3.04 0.02 . 2 . . . . 21 LYS HE3 . 16961 1 266 . 1 1 21 21 LYS HG2 H 1 1.48 0.02 . 2 . . . . 21 LYS HG2 . 16961 1 267 . 1 1 21 21 LYS HG3 H 1 1.60 0.02 . 2 . . . . 21 LYS HG3 . 16961 1 268 . 1 1 21 21 LYS C C 13 178.5 0.2 . 1 . . . . 21 LYS C . 16961 1 269 . 1 1 21 21 LYS CA C 13 54.9 0.2 . 1 . . . . 21 LYS CA . 16961 1 270 . 1 1 21 21 LYS CB C 13 33.8 0.2 . 1 . . . . 21 LYS CB . 16961 1 271 . 1 1 21 21 LYS CD C 13 29.3 0.2 . 1 . . . . 21 LYS CD . 16961 1 272 . 1 1 21 21 LYS CE C 13 41.9 0.2 . 1 . . . . 21 LYS CE . 16961 1 273 . 1 1 21 21 LYS CG C 13 25.2 0.2 . 1 . . . . 21 LYS CG . 16961 1 274 . 1 1 21 21 LYS N N 15 110.7 0.2 . 1 . . . . 21 LYS N . 16961 1 275 . 1 1 22 22 GLU H H 1 7.75 0.02 . 1 . . . . 22 GLU H . 16961 1 276 . 1 1 22 22 GLU HA H 1 5.17 0.02 . 1 . . . . 22 GLU HA . 16961 1 277 . 1 1 22 22 GLU HB2 H 1 1.68 0.02 . 2 . . . . 22 GLU HB2 . 16961 1 278 . 1 1 22 22 GLU HB3 H 1 2.01 0.02 . 2 . . . . 22 GLU HB3 . 16961 1 279 . 1 1 22 22 GLU HG2 H 1 1.82 0.02 . 2 . . . . 22 GLU HG2 . 16961 1 280 . 1 1 22 22 GLU HG3 H 1 2.02 0.02 . 2 . . . . 22 GLU HG3 . 16961 1 281 . 1 1 22 22 GLU C C 13 173.9 0.2 . 1 . . . . 22 GLU C . 16961 1 282 . 1 1 22 22 GLU CA C 13 56.4 0.2 . 1 . . . . 22 GLU CA . 16961 1 283 . 1 1 22 22 GLU CB C 13 31.7 0.2 . 1 . . . . 22 GLU CB . 16961 1 284 . 1 1 22 22 GLU CG C 13 35.6 0.2 . 1 . . . . 22 GLU CG . 16961 1 285 . 1 1 22 22 GLU N N 15 121.5 0.2 . 1 . . . . 22 GLU N . 16961 1 286 . 1 1 23 23 ILE H H 1 9.25 0.02 . 1 . . . . 23 ILE H . 16961 1 287 . 1 1 23 23 ILE HA H 1 4.63 0.02 . 1 . . . . 23 ILE HA . 16961 1 288 . 1 1 23 23 ILE HB H 1 1.59 0.02 . 1 . . . . 23 ILE HB . 16961 1 289 . 1 1 23 23 ILE HD11 H 1 0.77 0.02 . 1 . . . . 23 ILE HD1 . 16961 1 290 . 1 1 23 23 ILE HD12 H 1 0.77 0.02 . 1 . . . . 23 ILE HD1 . 16961 1 291 . 1 1 23 23 ILE HD13 H 1 0.77 0.02 . 1 . . . . 23 ILE HD1 . 16961 1 292 . 1 1 23 23 ILE HG12 H 1 1.11 0.02 . 2 . . . . 23 ILE HG12 . 16961 1 293 . 1 1 23 23 ILE HG13 H 1 1.82 0.02 . 2 . . . . 23 ILE HG13 . 16961 1 294 . 1 1 23 23 ILE HG21 H 1 0.93 0.02 . 1 . . . . 23 ILE HG2 . 16961 1 295 . 1 1 23 23 ILE HG22 H 1 0.93 0.02 . 1 . . . . 23 ILE HG2 . 16961 1 296 . 1 1 23 23 ILE HG23 H 1 0.93 0.02 . 1 . . . . 23 ILE HG2 . 16961 1 297 . 1 1 23 23 ILE C C 13 174.1 0.2 . 1 . . . . 23 ILE C . 16961 1 298 . 1 1 23 23 ILE CA C 13 59.9 0.2 . 1 . . . . 23 ILE CA . 16961 1 299 . 1 1 23 23 ILE CB C 13 41.7 0.2 . 1 . . . . 23 ILE CB . 16961 1 300 . 1 1 23 23 ILE CD1 C 13 15.4 0.2 . 1 . . . . 23 ILE CD1 . 16961 1 301 . 1 1 23 23 ILE CG1 C 13 28.2 0.2 . 1 . . . . 23 ILE CG1 . 16961 1 302 . 1 1 23 23 ILE CG2 C 13 17.4 0.2 . 1 . . . . 23 ILE CG2 . 16961 1 303 . 1 1 23 23 ILE N N 15 128.6 0.2 . 1 . . . . 23 ILE N . 16961 1 304 . 1 1 24 24 LEU H H 1 8.47 0.02 . 1 . . . . 24 LEU H . 16961 1 305 . 1 1 24 24 LEU HA H 1 5.5 0.02 . 1 . . . . 24 LEU HA . 16961 1 306 . 1 1 24 24 LEU HB2 H 1 1.14 0.02 . 2 . . . . 24 LEU HB2 . 16961 1 307 . 1 1 24 24 LEU HB3 H 1 1.80 0.02 . 2 . . . . 24 LEU HB3 . 16961 1 308 . 1 1 24 24 LEU HD11 H 1 0.81 0.02 . 2 . . . . 24 LEU HD1 . 16961 1 309 . 1 1 24 24 LEU HD12 H 1 0.81 0.02 . 2 . . . . 24 LEU HD1 . 16961 1 310 . 1 1 24 24 LEU HD13 H 1 0.81 0.02 . 2 . . . . 24 LEU HD1 . 16961 1 311 . 1 1 24 24 LEU HD21 H 1 0.86 0.02 . 2 . . . . 24 LEU HD2 . 16961 1 312 . 1 1 24 24 LEU HD22 H 1 0.86 0.02 . 2 . . . . 24 LEU HD2 . 16961 1 313 . 1 1 24 24 LEU HD23 H 1 0.86 0.02 . 2 . . . . 24 LEU HD2 . 16961 1 314 . 1 1 24 24 LEU HG H 1 1.51 0.02 . 1 . . . . 24 LEU HG . 16961 1 315 . 1 1 24 24 LEU C C 13 176.3 0.2 . 1 . . . . 24 LEU C . 16961 1 316 . 1 1 24 24 LEU CA C 13 53 0.2 . 1 . . . . 24 LEU CA . 16961 1 317 . 1 1 24 24 LEU CB C 13 44 0.2 . 1 . . . . 24 LEU CB . 16961 1 318 . 1 1 24 24 LEU CD1 C 13 25.2 0.2 . 2 . . . . 24 LEU CD1 . 16961 1 319 . 1 1 24 24 LEU CD2 C 13 23.9 0.2 . 2 . . . . 24 LEU CD2 . 16961 1 320 . 1 1 24 24 LEU CG C 13 27.1 0.2 . 1 . . . . 24 LEU CG . 16961 1 321 . 1 1 24 24 LEU N N 15 125.3 0.2 . 1 . . . . 24 LEU N . 16961 1 322 . 1 1 25 25 LEU H H 1 9.34 0.02 . 1 . . . . 25 LEU H . 16961 1 323 . 1 1 25 25 LEU HA H 1 5 0.02 . 1 . . . . 25 LEU HA . 16961 1 324 . 1 1 25 25 LEU HB2 H 1 1.34 0.02 . 2 . . . . 25 LEU HB2 . 16961 1 325 . 1 1 25 25 LEU HB3 H 1 1.84 0.02 . 2 . . . . 25 LEU HB3 . 16961 1 326 . 1 1 25 25 LEU HD11 H 1 0.76 0.02 . 2 . . . . 25 LEU HD1 . 16961 1 327 . 1 1 25 25 LEU HD12 H 1 0.76 0.02 . 2 . . . . 25 LEU HD1 . 16961 1 328 . 1 1 25 25 LEU HD13 H 1 0.76 0.02 . 2 . . . . 25 LEU HD1 . 16961 1 329 . 1 1 25 25 LEU HD21 H 1 0.86 0.02 . 2 . . . . 25 LEU HD2 . 16961 1 330 . 1 1 25 25 LEU HD22 H 1 0.86 0.02 . 2 . . . . 25 LEU HD2 . 16961 1 331 . 1 1 25 25 LEU HD23 H 1 0.86 0.02 . 2 . . . . 25 LEU HD2 . 16961 1 332 . 1 1 25 25 LEU HG H 1 1.12 0.02 . 1 . . . . 25 LEU HG . 16961 1 333 . 1 1 25 25 LEU C C 13 174.8 0.2 . 1 . . . . 25 LEU C . 16961 1 334 . 1 1 25 25 LEU CA C 13 52.7 0.2 . 1 . . . . 25 LEU CA . 16961 1 335 . 1 1 25 25 LEU CB C 13 44.5 0.2 . 1 . . . . 25 LEU CB . 16961 1 336 . 1 1 25 25 LEU CD1 C 13 26.2 0.2 . 2 . . . . 25 LEU CD1 . 16961 1 337 . 1 1 25 25 LEU CD2 C 13 25.4 0.2 . 2 . . . . 25 LEU CD2 . 16961 1 338 . 1 1 25 25 LEU CG C 13 26.4 0.2 . 1 . . . . 25 LEU CG . 16961 1 339 . 1 1 25 25 LEU N N 15 122.4 0.2 . 1 . . . . 25 LEU N . 16961 1 340 . 1 1 26 26 GLU H H 1 9.03 0.02 . 1 . . . . 26 GLU H . 16961 1 341 . 1 1 26 26 GLU HA H 1 4.65 0.02 . 1 . . . . 26 GLU HA . 16961 1 342 . 1 1 26 26 GLU HB2 H 1 1.91 0.02 . 2 . . . . 26 GLU HB2 . 16961 1 343 . 1 1 26 26 GLU HB3 H 1 2.15 0.02 . 2 . . . . 26 GLU HB3 . 16961 1 344 . 1 1 26 26 GLU HG2 H 1 2.23 0.02 . 2 . . . . 26 GLU HG2 . 16961 1 345 . 1 1 26 26 GLU HG3 H 1 2.23 0.02 . 2 . . . . 26 GLU HG3 . 16961 1 346 . 1 1 26 26 GLU C C 13 174.7 0.2 . 1 . . . . 26 GLU C . 16961 1 347 . 1 1 26 26 GLU CA C 13 56.4 0.2 . 1 . . . . 26 GLU CA . 16961 1 348 . 1 1 26 26 GLU CB C 13 30.7 0.2 . 1 . . . . 26 GLU CB . 16961 1 349 . 1 1 26 26 GLU CG C 13 35.7 0.2 . 1 . . . . 26 GLU CG . 16961 1 350 . 1 1 26 26 GLU N N 15 122.4 0.2 . 1 . . . . 26 GLU N . 16961 1 351 . 1 1 27 27 THR H H 1 8.93 0.02 . 1 . . . . 27 THR H . 16961 1 352 . 1 1 27 27 THR HA H 1 5.15 0.02 . 1 . . . . 27 THR HA . 16961 1 353 . 1 1 27 27 THR HB H 1 4.21 0.02 . 1 . . . . 27 THR HB . 16961 1 354 . 1 1 27 27 THR HG1 H 1 5.73 0.02 . 1 . . . . 27 THR HG1 . 16961 1 355 . 1 1 27 27 THR HG21 H 1 1.16 0.02 . 1 . . . . 27 THR HG2 . 16961 1 356 . 1 1 27 27 THR HG22 H 1 1.16 0.02 . 1 . . . . 27 THR HG2 . 16961 1 357 . 1 1 27 27 THR HG23 H 1 1.16 0.02 . 1 . . . . 27 THR HG2 . 16961 1 358 . 1 1 27 27 THR C C 13 175.5 0.2 . 1 . . . . 27 THR C . 16961 1 359 . 1 1 27 27 THR CA C 13 59.2 0.2 . 1 . . . . 27 THR CA . 16961 1 360 . 1 1 27 27 THR CB C 13 70.2 0.2 . 1 . . . . 27 THR CB . 16961 1 361 . 1 1 27 27 THR CG2 C 13 18.9 0.2 . 1 . . . . 27 THR CG2 . 16961 1 362 . 1 1 27 27 THR N N 15 121 0.2 . 1 . . . . 27 THR N . 16961 1 363 . 1 1 28 28 ILE H H 1 8.68 0.02 . 1 . . . . 28 ILE H . 16961 1 364 . 1 1 28 28 ILE HA H 1 3.77 0.02 . 1 . . . . 28 ILE HA . 16961 1 365 . 1 1 28 28 ILE HB H 1 2.06 0.02 . 1 . . . . 28 ILE HB . 16961 1 366 . 1 1 28 28 ILE HD11 H 1 0.92 0.02 . 1 . . . . 28 ILE HD1 . 16961 1 367 . 1 1 28 28 ILE HD12 H 1 0.92 0.02 . 1 . . . . 28 ILE HD1 . 16961 1 368 . 1 1 28 28 ILE HD13 H 1 0.92 0.02 . 1 . . . . 28 ILE HD1 . 16961 1 369 . 1 1 28 28 ILE HG12 H 1 1.36 0.02 . 2 . . . . 28 ILE HG12 . 16961 1 370 . 1 1 28 28 ILE HG13 H 1 1.68 0.02 . 2 . . . . 28 ILE HG13 . 16961 1 371 . 1 1 28 28 ILE HG21 H 1 0.96 0.02 . 1 . . . . 28 ILE HG2 . 16961 1 372 . 1 1 28 28 ILE HG22 H 1 0.96 0.02 . 1 . . . . 28 ILE HG2 . 16961 1 373 . 1 1 28 28 ILE HG23 H 1 0.96 0.02 . 1 . . . . 28 ILE HG2 . 16961 1 374 . 1 1 28 28 ILE C C 13 177.9 0.2 . 1 . . . . 28 ILE C . 16961 1 375 . 1 1 28 28 ILE CA C 13 65.5 0.2 . 1 . . . . 28 ILE CA . 16961 1 376 . 1 1 28 28 ILE CB C 13 38.2 0.2 . 1 . . . . 28 ILE CB . 16961 1 377 . 1 1 28 28 ILE CD1 C 13 12.5 0.2 . 1 . . . . 28 ILE CD1 . 16961 1 378 . 1 1 28 28 ILE CG1 C 13 28.6 0.2 . 1 . . . . 28 ILE CG1 . 16961 1 379 . 1 1 28 28 ILE CG2 C 13 17.2 0.2 . 1 . . . . 28 ILE CG2 . 16961 1 380 . 1 1 28 28 ILE N N 15 120.9 0.2 . 1 . . . . 28 ILE N . 16961 1 381 . 1 1 29 29 GLN H H 1 8.49 0.02 . 1 . . . . 29 GLN H . 16961 1 382 . 1 1 29 29 GLN HA H 1 4.71 0.02 . 1 . . . . 29 GLN HA . 16961 1 383 . 1 1 29 29 GLN HB2 H 1 1.60 0.02 . 2 . . . . 29 GLN HB2 . 16961 1 384 . 1 1 29 29 GLN HB3 H 1 2.35 0.02 . 2 . . . . 29 GLN HB3 . 16961 1 385 . 1 1 29 29 GLN HE21 H 1 7.3 0.02 . 2 . . . . 29 GLN HE21 . 16961 1 386 . 1 1 29 29 GLN HE22 H 1 6.98 0.02 . 2 . . . . 29 GLN HE22 . 16961 1 387 . 1 1 29 29 GLN HG2 H 1 2.36 0.02 . 2 . . . . 29 GLN HG2 . 16961 1 388 . 1 1 29 29 GLN HG3 H 1 2.5 0.02 . 2 . . . . 29 GLN HG3 . 16961 1 389 . 1 1 29 29 GLN C C 13 175.1 0.2 . 1 . . . . 29 GLN C . 16961 1 390 . 1 1 29 29 GLN CA C 13 54.7 0.2 . 1 . . . . 29 GLN CA . 16961 1 391 . 1 1 29 29 GLN CB C 13 28.4 0.2 . 1 . . . . 29 GLN CB . 16961 1 392 . 1 1 29 29 GLN CD C 13 179.6 0.2 . 1 . . . . 29 GLN CD . 16961 1 393 . 1 1 29 29 GLN CG C 13 33 0.2 . 1 . . . . 29 GLN CG . 16961 1 394 . 1 1 29 29 GLN N N 15 113 0.2 . 1 . . . . 29 GLN N . 16961 1 395 . 1 1 29 29 GLN NE2 N 15 112 0.2 . 1 . . . . 29 GLN NE2 . 16961 1 396 . 1 1 30 30 GLY H H 1 7.58 0.02 . 1 . . . . 30 GLY H . 16961 1 397 . 1 1 30 30 GLY HA2 H 1 3.86 0.02 . 2 . . . . 30 GLY HA2 . 16961 1 398 . 1 1 30 30 GLY HA3 H 1 4.49 0.02 . 2 . . . . 30 GLY HA3 . 16961 1 399 . 1 1 30 30 GLY C C 13 171.8 0.2 . 1 . . . . 30 GLY C . 16961 1 400 . 1 1 30 30 GLY CA C 13 44.7 0.2 . 1 . . . . 30 GLY CA . 16961 1 401 . 1 1 30 30 GLY N N 15 106.2 0.2 . 1 . . . . 30 GLY N . 16961 1 402 . 1 1 31 31 VAL H H 1 9.13 0.02 . 1 . . . . 31 VAL H . 16961 1 403 . 1 1 31 31 VAL HA H 1 4.83 0.02 . 1 . . . . 31 VAL HA . 16961 1 404 . 1 1 31 31 VAL HB H 1 1.99 0.02 . 1 . . . . 31 VAL HB . 16961 1 405 . 1 1 31 31 VAL HG11 H 1 0.85 0.02 . 2 . . . . 31 VAL HG1 . 16961 1 406 . 1 1 31 31 VAL HG12 H 1 0.85 0.02 . 2 . . . . 31 VAL HG1 . 16961 1 407 . 1 1 31 31 VAL HG13 H 1 0.85 0.02 . 2 . . . . 31 VAL HG1 . 16961 1 408 . 1 1 31 31 VAL HG21 H 1 1 0.02 . 2 . . . . 31 VAL HG2 . 16961 1 409 . 1 1 31 31 VAL HG22 H 1 1 0.02 . 2 . . . . 31 VAL HG2 . 16961 1 410 . 1 1 31 31 VAL HG23 H 1 1 0.02 . 2 . . . . 31 VAL HG2 . 16961 1 411 . 1 1 31 31 VAL C C 13 175 0.2 . 1 . . . . 31 VAL C . 16961 1 412 . 1 1 31 31 VAL CA C 13 61.9 0.2 . 1 . . . . 31 VAL CA . 16961 1 413 . 1 1 31 31 VAL CB C 13 33.8 0.2 . 1 . . . . 31 VAL CB . 16961 1 414 . 1 1 31 31 VAL CG1 C 13 22.7 0.2 . 2 . . . . 31 VAL CG1 . 16961 1 415 . 1 1 31 31 VAL CG2 C 13 22.8 0.2 . 2 . . . . 31 VAL CG2 . 16961 1 416 . 1 1 31 31 VAL N N 15 124.2 0.2 . 1 . . . . 31 VAL N . 16961 1 417 . 1 1 32 32 LEU H H 1 9.46 0.02 . 1 . . . . 32 LEU H . 16961 1 418 . 1 1 32 32 LEU HA H 1 5.22 0.02 . 1 . . . . 32 LEU HA . 16961 1 419 . 1 1 32 32 LEU HB2 H 1 1.19 0.02 . 2 . . . . 32 LEU HB2 . 16961 1 420 . 1 1 32 32 LEU HB3 H 1 1.59 0.02 . 2 . . . . 32 LEU HB3 . 16961 1 421 . 1 1 32 32 LEU HD11 H 1 0.60 0.02 . 2 . . . . 32 LEU HD1 . 16961 1 422 . 1 1 32 32 LEU HD12 H 1 0.60 0.02 . 2 . . . . 32 LEU HD1 . 16961 1 423 . 1 1 32 32 LEU HD13 H 1 0.60 0.02 . 2 . . . . 32 LEU HD1 . 16961 1 424 . 1 1 32 32 LEU HD21 H 1 0.57 0.02 . 2 . . . . 32 LEU HD2 . 16961 1 425 . 1 1 32 32 LEU HD22 H 1 0.57 0.02 . 2 . . . . 32 LEU HD2 . 16961 1 426 . 1 1 32 32 LEU HD23 H 1 0.57 0.02 . 2 . . . . 32 LEU HD2 . 16961 1 427 . 1 1 32 32 LEU HG H 1 1.44 0.02 . 1 . . . . 32 LEU HG . 16961 1 428 . 1 1 32 32 LEU C C 13 174.3 0.2 . 1 . . . . 32 LEU C . 16961 1 429 . 1 1 32 32 LEU CA C 13 53.5 0.2 . 1 . . . . 32 LEU CA . 16961 1 430 . 1 1 32 32 LEU CB C 13 44.4 0.2 . 1 . . . . 32 LEU CB . 16961 1 431 . 1 1 32 32 LEU CD1 C 13 25.2 0.2 . 2 . . . . 32 LEU CD1 . 16961 1 432 . 1 1 32 32 LEU CD2 C 13 26.5 0.2 . 2 . . . . 32 LEU CD2 . 16961 1 433 . 1 1 32 32 LEU CG C 13 27.6 0.2 . 1 . . . . 32 LEU CG . 16961 1 434 . 1 1 32 32 LEU N N 15 130.5 0.2 . 1 . . . . 32 LEU N . 16961 1 435 . 1 1 33 33 SER H H 1 9.06 0.02 . 1 . . . . 33 SER H . 16961 1 436 . 1 1 33 33 SER HA H 1 5.31 0.02 . 1 . . . . 33 SER HA . 16961 1 437 . 1 1 33 33 SER HB2 H 1 3.75 0.02 . 2 . . . . 33 SER HB2 . 16961 1 438 . 1 1 33 33 SER HB3 H 1 3.75 0.02 . 2 . . . . 33 SER HB3 . 16961 1 439 . 1 1 33 33 SER C C 13 173.6 0.2 . 1 . . . . 33 SER C . 16961 1 440 . 1 1 33 33 SER CA C 13 56.1 0.2 . 1 . . . . 33 SER CA . 16961 1 441 . 1 1 33 33 SER CB C 13 64.3 0.2 . 1 . . . . 33 SER CB . 16961 1 442 . 1 1 33 33 SER N N 15 120.9 0.2 . 1 . . . . 33 SER N . 16961 1 443 . 1 1 34 34 ILE H H 1 8.98 0.02 . 1 . . . . 34 ILE H . 16961 1 444 . 1 1 34 34 ILE HA H 1 4.64 0.02 . 1 . . . . 34 ILE HA . 16961 1 445 . 1 1 34 34 ILE HB H 1 1.81 0.02 . 1 . . . . 34 ILE HB . 16961 1 446 . 1 1 34 34 ILE HD11 H 1 0.73 0.02 . 1 . . . . 34 ILE HD1 . 16961 1 447 . 1 1 34 34 ILE HD12 H 1 0.73 0.02 . 1 . . . . 34 ILE HD1 . 16961 1 448 . 1 1 34 34 ILE HD13 H 1 0.73 0.02 . 1 . . . . 34 ILE HD1 . 16961 1 449 . 1 1 34 34 ILE HG12 H 1 1.56 0.02 . 2 . . . . 34 ILE HG12 . 16961 1 450 . 1 1 34 34 ILE HG13 H 1 1.66 0.02 . 2 . . . . 34 ILE HG13 . 16961 1 451 . 1 1 34 34 ILE HG21 H 1 0.79 0.02 . 1 . . . . 34 ILE HG2 . 16961 1 452 . 1 1 34 34 ILE HG22 H 1 0.79 0.02 . 1 . . . . 34 ILE HG2 . 16961 1 453 . 1 1 34 34 ILE HG23 H 1 0.79 0.02 . 1 . . . . 34 ILE HG2 . 16961 1 454 . 1 1 34 34 ILE C C 13 174.2 0.2 . 1 . . . . 34 ILE C . 16961 1 455 . 1 1 34 34 ILE CA C 13 60.4 0.2 . 1 . . . . 34 ILE CA . 16961 1 456 . 1 1 34 34 ILE CB C 13 40 0.2 . 1 . . . . 34 ILE CB . 16961 1 457 . 1 1 34 34 ILE CD1 C 13 15.6 0.2 . 1 . . . . 34 ILE CD1 . 16961 1 458 . 1 1 34 34 ILE CG1 C 13 26.9 0.2 . 1 . . . . 34 ILE CG1 . 16961 1 459 . 1 1 34 34 ILE CG2 C 13 18.2 0.2 . 1 . . . . 34 ILE CG2 . 16961 1 460 . 1 1 34 34 ILE N N 15 128.6 0.2 . 1 . . . . 34 ILE N . 16961 1 461 . 1 1 35 35 LYS H H 1 8.66 0.02 . 1 . . . . 35 LYS H . 16961 1 462 . 1 1 35 35 LYS HA H 1 5.2 0.02 . 1 . . . . 35 LYS HA . 16961 1 463 . 1 1 35 35 LYS HB2 H 1 1.62 0.02 . 2 . . . . 35 LYS HB2 . 16961 1 464 . 1 1 35 35 LYS HB3 H 1 1.97 0.02 . 2 . . . . 35 LYS HB3 . 16961 1 465 . 1 1 35 35 LYS HD2 H 1 1.61 0.02 . 2 . . . . 35 LYS HD2 . 16961 1 466 . 1 1 35 35 LYS HD3 H 1 1.61 0.02 . 2 . . . . 35 LYS HD3 . 16961 1 467 . 1 1 35 35 LYS HE2 H 1 2.91 0.02 . 2 . . . . 35 LYS HE2 . 16961 1 468 . 1 1 35 35 LYS HE3 H 1 2.91 0.02 . 2 . . . . 35 LYS HE3 . 16961 1 469 . 1 1 35 35 LYS HG2 H 1 1.34 0.02 . 2 . . . . 35 LYS HG2 . 16961 1 470 . 1 1 35 35 LYS HG3 H 1 1.56 0.02 . 2 . . . . 35 LYS HG3 . 16961 1 471 . 1 1 35 35 LYS C C 13 177 0.2 . 1 . . . . 35 LYS C . 16961 1 472 . 1 1 35 35 LYS CA C 13 54.3 0.2 . 1 . . . . 35 LYS CA . 16961 1 473 . 1 1 35 35 LYS CB C 13 36.4 0.2 . 1 . . . . 35 LYS CB . 16961 1 474 . 1 1 35 35 LYS CD C 13 29.4 0.2 . 1 . . . . 35 LYS CD . 16961 1 475 . 1 1 35 35 LYS CE C 13 42 0.2 . 1 . . . . 35 LYS CE . 16961 1 476 . 1 1 35 35 LYS CG C 13 25.4 0.2 . 1 . . . . 35 LYS CG . 16961 1 477 . 1 1 35 35 LYS N N 15 124.4 0.2 . 1 . . . . 35 LYS N . 16961 1 478 . 1 1 36 36 GLY H H 1 8.23 0.02 . 1 . . . . 36 GLY H . 16961 1 479 . 1 1 36 36 GLY HA2 H 1 3.92 0.02 . 2 . . . . 36 GLY HA2 . 16961 1 480 . 1 1 36 36 GLY HA3 H 1 4.89 0.02 . 2 . . . . 36 GLY HA3 . 16961 1 481 . 1 1 36 36 GLY C C 13 171 0.2 . 1 . . . . 36 GLY C . 16961 1 482 . 1 1 36 36 GLY CA C 13 46.5 0.2 . 1 . . . . 36 GLY CA . 16961 1 483 . 1 1 36 36 GLY N N 15 111.7 0.2 . 1 . . . . 36 GLY N . 16961 1 484 . 1 1 37 37 GLU H H 1 8.97 0.02 . 1 . . . . 37 GLU H . 16961 1 485 . 1 1 37 37 GLU HA H 1 4.83 0.02 . 1 . . . . 37 GLU HA . 16961 1 486 . 1 1 37 37 GLU HB2 H 1 1.91 0.02 . 2 . . . . 37 GLU HB2 . 16961 1 487 . 1 1 37 37 GLU HB3 H 1 2.09 0.02 . 2 . . . . 37 GLU HB3 . 16961 1 488 . 1 1 37 37 GLU HG2 H 1 2.3 0.02 . 2 . . . . 37 GLU HG2 . 16961 1 489 . 1 1 37 37 GLU HG3 H 1 2.3 0.02 . 2 . . . . 37 GLU HG3 . 16961 1 490 . 1 1 37 37 GLU C C 13 174 0.2 . 1 . . . . 37 GLU C . 16961 1 491 . 1 1 37 37 GLU CA C 13 54.7 0.2 . 1 . . . . 37 GLU CA . 16961 1 492 . 1 1 37 37 GLU CB C 13 34.0 0.2 . 1 . . . . 37 GLU CB . 16961 1 493 . 1 1 37 37 GLU CG C 13 35.6 0.2 . 1 . . . . 37 GLU CG . 16961 1 494 . 1 1 37 37 GLU N N 15 121.2 0.2 . 1 . . . . 37 GLU N . 16961 1 495 . 1 1 38 38 LYS H H 1 8.87 0.02 . 1 . . . . 38 LYS H . 16961 1 496 . 1 1 38 38 LYS HA H 1 3.79 0.02 . 1 . . . . 38 LYS HA . 16961 1 497 . 1 1 38 38 LYS HB2 H 1 1.88 0.02 . 2 . . . . 38 LYS HB2 . 16961 1 498 . 1 1 38 38 LYS HB3 H 1 1.94 0.02 . 2 . . . . 38 LYS HB3 . 16961 1 499 . 1 1 38 38 LYS HD2 H 1 1.58 0.02 . 2 . . . . 38 LYS HD2 . 16961 1 500 . 1 1 38 38 LYS HD3 H 1 1.7 0.02 . 2 . . . . 38 LYS HD3 . 16961 1 501 . 1 1 38 38 LYS HE2 H 1 2.95 0.02 . 2 . . . . 38 LYS HE2 . 16961 1 502 . 1 1 38 38 LYS HE3 H 1 2.95 0.02 . 2 . . . . 38 LYS HE3 . 16961 1 503 . 1 1 38 38 LYS HG2 H 1 1.37 0.02 . 2 . . . . 38 LYS HG2 . 16961 1 504 . 1 1 38 38 LYS HG3 H 1 1.37 0.02 . 2 . . . . 38 LYS HG3 . 16961 1 505 . 1 1 38 38 LYS C C 13 175.5 0.2 . 1 . . . . 38 LYS C . 16961 1 506 . 1 1 38 38 LYS CA C 13 56.8 0.2 . 1 . . . . 38 LYS CA . 16961 1 507 . 1 1 38 38 LYS CB C 13 29.9 0.2 . 1 . . . . 38 LYS CB . 16961 1 508 . 1 1 38 38 LYS CD C 13 29.6 0.2 . 1 . . . . 38 LYS CD . 16961 1 509 . 1 1 38 38 LYS CE C 13 42.3 0.2 . 1 . . . . 38 LYS CE . 16961 1 510 . 1 1 38 38 LYS CG C 13 25.6 0.2 . 1 . . . . 38 LYS CG . 16961 1 511 . 1 1 38 38 LYS N N 15 116.9 0.2 . 1 . . . . 38 LYS N . 16961 1 512 . 1 1 39 39 LEU H H 1 9.4 0.02 . 1 . . . . 39 LEU H . 16961 1 513 . 1 1 39 39 LEU HA H 1 4.83 0.02 . 1 . . . . 39 LEU HA . 16961 1 514 . 1 1 39 39 LEU HB2 H 1 1 0.02 . 2 . . . . 39 LEU HB2 . 16961 1 515 . 1 1 39 39 LEU HB3 H 1 1.80 0.02 . 2 . . . . 39 LEU HB3 . 16961 1 516 . 1 1 39 39 LEU HD11 H 1 0.43 0.02 . 2 . . . . 39 LEU HD1 . 16961 1 517 . 1 1 39 39 LEU HD12 H 1 0.43 0.02 . 2 . . . . 39 LEU HD1 . 16961 1 518 . 1 1 39 39 LEU HD13 H 1 0.43 0.02 . 2 . . . . 39 LEU HD1 . 16961 1 519 . 1 1 39 39 LEU HD21 H 1 0.44 0.02 . 2 . . . . 39 LEU HD2 . 16961 1 520 . 1 1 39 39 LEU HD22 H 1 0.44 0.02 . 2 . . . . 39 LEU HD2 . 16961 1 521 . 1 1 39 39 LEU HD23 H 1 0.44 0.02 . 2 . . . . 39 LEU HD2 . 16961 1 522 . 1 1 39 39 LEU HG H 1 1.5 0.02 . 1 . . . . 39 LEU HG . 16961 1 523 . 1 1 39 39 LEU C C 13 178.5 0.2 . 1 . . . . 39 LEU C . 16961 1 524 . 1 1 39 39 LEU CA C 13 55.3 0.2 . 1 . . . . 39 LEU CA . 16961 1 525 . 1 1 39 39 LEU CB C 13 42.8 0.2 . 1 . . . . 39 LEU CB . 16961 1 526 . 1 1 39 39 LEU CD1 C 13 23.1 0.2 . 2 . . . . 39 LEU CD1 . 16961 1 527 . 1 1 39 39 LEU CD2 C 13 26.4 0.2 . 2 . . . . 39 LEU CD2 . 16961 1 528 . 1 1 39 39 LEU CG C 13 26.3 0.2 . 1 . . . . 39 LEU CG . 16961 1 529 . 1 1 39 39 LEU N N 15 118.3 0.2 . 1 . . . . 39 LEU N . 16961 1 530 . 1 1 40 40 GLY H H 1 8.84 0.02 . 1 . . . . 40 GLY H . 16961 1 531 . 1 1 40 40 GLY HA2 H 1 3.77 0.02 . 2 . . . . 40 GLY HA2 . 16961 1 532 . 1 1 40 40 GLY HA3 H 1 4.50 0.02 . 2 . . . . 40 GLY HA3 . 16961 1 533 . 1 1 40 40 GLY CA C 13 44.3 0.2 . 1 . . . . 40 GLY CA . 16961 1 534 . 1 1 40 40 GLY N N 15 106.7 0.2 . 1 . . . . 40 GLY N . 16961 1 535 . 1 1 46 46 LEU H H 1 9.07 0.02 . 1 . . . . 46 LEU H . 16961 1 536 . 1 1 46 46 LEU HA H 1 4.05 0.02 . 1 . . . . 46 LEU HA . 16961 1 537 . 1 1 46 46 LEU HB2 H 1 1.59 0.02 . 2 . . . . 46 LEU HB2 . 16961 1 538 . 1 1 46 46 LEU HB3 H 1 1.78 0.02 . 2 . . . . 46 LEU HB3 . 16961 1 539 . 1 1 46 46 LEU HD11 H 1 0.94 0.02 . 2 . . . . 46 LEU HD1 . 16961 1 540 . 1 1 46 46 LEU HD12 H 1 0.94 0.02 . 2 . . . . 46 LEU HD1 . 16961 1 541 . 1 1 46 46 LEU HD13 H 1 0.94 0.02 . 2 . . . . 46 LEU HD1 . 16961 1 542 . 1 1 46 46 LEU HD21 H 1 0.66 0.02 . 2 . . . . 46 LEU HD2 . 16961 1 543 . 1 1 46 46 LEU HD22 H 1 0.66 0.02 . 2 . . . . 46 LEU HD2 . 16961 1 544 . 1 1 46 46 LEU HD23 H 1 0.66 0.02 . 2 . . . . 46 LEU HD2 . 16961 1 545 . 1 1 46 46 LEU HG H 1 1.60 0.02 . 1 . . . . 46 LEU HG . 16961 1 546 . 1 1 46 46 LEU C C 13 179.1 0.2 . 1 . . . . 46 LEU C . 16961 1 547 . 1 1 46 46 LEU CA C 13 57.1 0.2 . 1 . . . . 46 LEU CA . 16961 1 548 . 1 1 46 46 LEU CB C 13 41 0.2 . 1 . . . . 46 LEU CB . 16961 1 549 . 1 1 46 46 LEU CD1 C 13 25.4 0.2 . 2 . . . . 46 LEU CD1 . 16961 1 550 . 1 1 46 46 LEU CD2 C 13 22.5 0.2 . 2 . . . . 46 LEU CD2 . 16961 1 551 . 1 1 46 46 LEU CG C 13 27.1 0.2 . 1 . . . . 46 LEU CG . 16961 1 552 . 1 1 46 46 LEU N N 15 125.4 0.2 . 1 . . . . 46 LEU N . 16961 1 553 . 1 1 47 47 LYS H H 1 8.28 0.02 . 1 . . . . 47 LYS H . 16961 1 554 . 1 1 47 47 LYS HA H 1 4.14 0.02 . 1 . . . . 47 LYS HA . 16961 1 555 . 1 1 47 47 LYS HB2 H 1 1.94 0.02 . 2 . . . . 47 LYS HB2 . 16961 1 556 . 1 1 47 47 LYS HB3 H 1 1.94 0.02 . 2 . . . . 47 LYS HB3 . 16961 1 557 . 1 1 47 47 LYS HD2 H 1 1.7 0.02 . 2 . . . . 47 LYS HD2 . 16961 1 558 . 1 1 47 47 LYS HD3 H 1 1.7 0.02 . 2 . . . . 47 LYS HD3 . 16961 1 559 . 1 1 47 47 LYS HE2 H 1 2.98 0.02 . 2 . . . . 47 LYS HE2 . 16961 1 560 . 1 1 47 47 LYS HE3 H 1 2.98 0.02 . 2 . . . . 47 LYS HE3 . 16961 1 561 . 1 1 47 47 LYS HG2 H 1 1.43 0.02 . 2 . . . . 47 LYS HG2 . 16961 1 562 . 1 1 47 47 LYS HG3 H 1 1.49 0.02 . 2 . . . . 47 LYS HG3 . 16961 1 563 . 1 1 47 47 LYS C C 13 178.1 0.2 . 1 . . . . 47 LYS C . 16961 1 564 . 1 1 47 47 LYS CA C 13 59.1 0.2 . 1 . . . . 47 LYS CA . 16961 1 565 . 1 1 47 47 LYS CB C 13 31.4 0.2 . 1 . . . . 47 LYS CB . 16961 1 566 . 1 1 47 47 LYS CD C 13 29 0.2 . 1 . . . . 47 LYS CD . 16961 1 567 . 1 1 47 47 LYS CE C 13 42.1 0.2 . 1 . . . . 47 LYS CE . 16961 1 568 . 1 1 47 47 LYS CG C 13 25.1 0.2 . 1 . . . . 47 LYS CG . 16961 1 569 . 1 1 47 47 LYS N N 15 121.7 0.2 . 1 . . . . 47 LYS N . 16961 1 570 . 1 1 48 48 ALA H H 1 7.51 0.02 . 1 . . . . 48 ALA H . 16961 1 571 . 1 1 48 48 ALA HA H 1 4.38 0.02 . 1 . . . . 48 ALA HA . 16961 1 572 . 1 1 48 48 ALA HB1 H 1 1.34 0.02 . 1 . . . . 48 ALA HB . 16961 1 573 . 1 1 48 48 ALA HB2 H 1 1.34 0.02 . 1 . . . . 48 ALA HB . 16961 1 574 . 1 1 48 48 ALA HB3 H 1 1.34 0.02 . 1 . . . . 48 ALA HB . 16961 1 575 . 1 1 48 48 ALA C C 13 178.3 0.2 . 1 . . . . 48 ALA C . 16961 1 576 . 1 1 48 48 ALA CA C 13 51.6 0.2 . 1 . . . . 48 ALA CA . 16961 1 577 . 1 1 48 48 ALA CB C 13 19.5 0.2 . 1 . . . . 48 ALA CB . 16961 1 578 . 1 1 48 48 ALA N N 15 119.3 0.2 . 1 . . . . 48 ALA N . 16961 1 579 . 1 1 49 49 GLY H H 1 8 0.02 . 1 . . . . 49 GLY H . 16961 1 580 . 1 1 49 49 GLY HA2 H 1 4.03 0.02 . 2 . . . . 49 GLY HA2 . 16961 1 581 . 1 1 49 49 GLY HA3 H 1 4.17 0.02 . 2 . . . . 49 GLY HA3 . 16961 1 582 . 1 1 49 49 GLY C C 13 173.6 0.2 . 1 . . . . 49 GLY C . 16961 1 583 . 1 1 49 49 GLY CA C 13 47.0 0.2 . 1 . . . . 49 GLY CA . 16961 1 584 . 1 1 49 49 GLY N N 15 109.9 0.2 . 1 . . . . 49 GLY N . 16961 1 585 . 1 1 50 50 GLN H H 1 7.96 0.02 . 1 . . . . 50 GLN H . 16961 1 586 . 1 1 50 50 GLN HA H 1 5.25 0.02 . 1 . . . . 50 GLN HA . 16961 1 587 . 1 1 50 50 GLN HB2 H 1 1.72 0.02 . 2 . . . . 50 GLN HB2 . 16961 1 588 . 1 1 50 50 GLN HB3 H 1 2.15 0.02 . 2 . . . . 50 GLN HB3 . 16961 1 589 . 1 1 50 50 GLN HE21 H 1 7.21 0.02 . 2 . . . . 50 GLN HE21 . 16961 1 590 . 1 1 50 50 GLN HE22 H 1 6.79 0.02 . 2 . . . . 50 GLN HE22 . 16961 1 591 . 1 1 50 50 GLN HG2 H 1 2.16 0.02 . 2 . . . . 50 GLN HG2 . 16961 1 592 . 1 1 50 50 GLN HG3 H 1 2.26 0.02 . 2 . . . . 50 GLN HG3 . 16961 1 593 . 1 1 50 50 GLN C C 13 174.5 0.2 . 1 . . . . 50 GLN C . 16961 1 594 . 1 1 50 50 GLN CA C 13 54.8 0.2 . 1 . . . . 50 GLN CA . 16961 1 595 . 1 1 50 50 GLN CB C 13 31.8 0.2 . 1 . . . . 50 GLN CB . 16961 1 596 . 1 1 50 50 GLN CD C 13 178.8 0.2 . 1 . . . . 50 GLN CD . 16961 1 597 . 1 1 50 50 GLN CG C 13 33.6 0.2 . 1 . . . . 50 GLN CG . 16961 1 598 . 1 1 50 50 GLN N N 15 118.1 0.2 . 1 . . . . 50 GLN N . 16961 1 599 . 1 1 50 50 GLN NE2 N 15 110.1 0.2 . 1 . . . . 50 GLN NE2 . 16961 1 600 . 1 1 51 51 VAL H H 1 8.43 0.02 . 1 . . . . 51 VAL H . 16961 1 601 . 1 1 51 51 VAL HA H 1 4.84 0.02 . 1 . . . . 51 VAL HA . 16961 1 602 . 1 1 51 51 VAL HB H 1 1.75 0.02 . 1 . . . . 51 VAL HB . 16961 1 603 . 1 1 51 51 VAL HG11 H 1 0.85 0.02 . 2 . . . . 51 VAL HG1 . 16961 1 604 . 1 1 51 51 VAL HG12 H 1 0.85 0.02 . 2 . . . . 51 VAL HG1 . 16961 1 605 . 1 1 51 51 VAL HG13 H 1 0.85 0.02 . 2 . . . . 51 VAL HG1 . 16961 1 606 . 1 1 51 51 VAL HG21 H 1 0.91 0.02 . 2 . . . . 51 VAL HG2 . 16961 1 607 . 1 1 51 51 VAL HG22 H 1 0.91 0.02 . 2 . . . . 51 VAL HG2 . 16961 1 608 . 1 1 51 51 VAL HG23 H 1 0.91 0.02 . 2 . . . . 51 VAL HG2 . 16961 1 609 . 1 1 51 51 VAL C C 13 172.2 0.2 . 1 . . . . 51 VAL C . 16961 1 610 . 1 1 51 51 VAL CA C 13 59.4 0.2 . 1 . . . . 51 VAL CA . 16961 1 611 . 1 1 51 51 VAL CB C 13 36.0 0.2 . 1 . . . . 51 VAL CB . 16961 1 612 . 1 1 51 51 VAL CG1 C 13 21.2 0.2 . 2 . . . . 51 VAL CG1 . 16961 1 613 . 1 1 51 51 VAL CG2 C 13 22.3 0.2 . 2 . . . . 51 VAL CG2 . 16961 1 614 . 1 1 51 51 VAL N N 15 122 0.2 . 1 . . . . 51 VAL N . 16961 1 615 . 1 1 52 52 GLU H H 1 8.73 0.02 . 1 . . . . 52 GLU H . 16961 1 616 . 1 1 52 52 GLU HA H 1 5.35 0.02 . 1 . . . . 52 GLU HA . 16961 1 617 . 1 1 52 52 GLU HB2 H 1 1.98 0.02 . 2 . . . . 52 GLU HB2 . 16961 1 618 . 1 1 52 52 GLU HB3 H 1 1.98 0.02 . 2 . . . . 52 GLU HB3 . 16961 1 619 . 1 1 52 52 GLU HG2 H 1 2.09 0.02 . 2 . . . . 52 GLU HG2 . 16961 1 620 . 1 1 52 52 GLU HG3 H 1 2.32 0.02 . 2 . . . . 52 GLU HG3 . 16961 1 621 . 1 1 52 52 GLU C C 13 175 0.2 . 1 . . . . 52 GLU C . 16961 1 622 . 1 1 52 52 GLU CA C 13 54.5 0.2 . 1 . . . . 52 GLU CA . 16961 1 623 . 1 1 52 52 GLU CB C 13 32.6 0.2 . 1 . . . . 52 GLU CB . 16961 1 624 . 1 1 52 52 GLU CG C 13 34.9 0.2 . 1 . . . . 52 GLU CG . 16961 1 625 . 1 1 52 52 GLU N N 15 124.6 0.2 . 1 . . . . 52 GLU N . 16961 1 626 . 1 1 53 53 VAL H H 1 9.75 0.02 . 1 . . . . 53 VAL H . 16961 1 627 . 1 1 53 53 VAL HA H 1 4.90 0.02 . 1 . . . . 53 VAL HA . 16961 1 628 . 1 1 53 53 VAL HB H 1 1.95 0.02 . 1 . . . . 53 VAL HB . 16961 1 629 . 1 1 53 53 VAL HG11 H 1 0.87 0.02 . 2 . . . . 53 VAL HG1 . 16961 1 630 . 1 1 53 53 VAL HG12 H 1 0.87 0.02 . 2 . . . . 53 VAL HG1 . 16961 1 631 . 1 1 53 53 VAL HG13 H 1 0.87 0.02 . 2 . . . . 53 VAL HG1 . 16961 1 632 . 1 1 53 53 VAL HG21 H 1 0.87 0.02 . 2 . . . . 53 VAL HG2 . 16961 1 633 . 1 1 53 53 VAL HG22 H 1 0.87 0.02 . 2 . . . . 53 VAL HG2 . 16961 1 634 . 1 1 53 53 VAL HG23 H 1 0.87 0.02 . 2 . . . . 53 VAL HG2 . 16961 1 635 . 1 1 53 53 VAL C C 13 173.1 0.2 . 1 . . . . 53 VAL C . 16961 1 636 . 1 1 53 53 VAL CA C 13 60.2 0.2 . 1 . . . . 53 VAL CA . 16961 1 637 . 1 1 53 53 VAL CB C 13 35.0 0.2 . 1 . . . . 53 VAL CB . 16961 1 638 . 1 1 53 53 VAL CG1 C 13 21.5 0.2 . 2 . . . . 53 VAL CG1 . 16961 1 639 . 1 1 53 53 VAL CG2 C 13 20.9 0.2 . 2 . . . . 53 VAL CG2 . 16961 1 640 . 1 1 53 53 VAL N N 15 127.1 0.2 . 1 . . . . 53 VAL N . 16961 1 641 . 1 1 54 54 GLU H H 1 8.74 0.02 . 1 . . . . 54 GLU H . 16961 1 642 . 1 1 54 54 GLU HA H 1 5.6 0.02 . 1 . . . . 54 GLU HA . 16961 1 643 . 1 1 54 54 GLU HB2 H 1 1.62 0.02 . 2 . . . . 54 GLU HB2 . 16961 1 644 . 1 1 54 54 GLU HB3 H 1 1.75 0.02 . 2 . . . . 54 GLU HB3 . 16961 1 645 . 1 1 54 54 GLU HG2 H 1 1.87 0.02 . 2 . . . . 54 GLU HG2 . 16961 1 646 . 1 1 54 54 GLU HG3 H 1 1.97 0.02 . 2 . . . . 54 GLU HG3 . 16961 1 647 . 1 1 54 54 GLU C C 13 174.5 0.2 . 1 . . . . 54 GLU C . 16961 1 648 . 1 1 54 54 GLU CA C 13 52.6 0.2 . 1 . . . . 54 GLU CA . 16961 1 649 . 1 1 54 54 GLU CB C 13 33.6 0.2 . 1 . . . . 54 GLU CB . 16961 1 650 . 1 1 54 54 GLU CG C 13 33.6 0.2 . 1 . . . . 54 GLU CG . 16961 1 651 . 1 1 54 54 GLU N N 15 122.3 0.2 . 1 . . . . 54 GLU N . 16961 1 652 . 1 1 55 55 GLY H H 1 8.16 0.02 . 1 . . . . 55 GLY H . 16961 1 653 . 1 1 55 55 GLY HA2 H 1 3.73 0.02 . 2 . . . . 55 GLY HA2 . 16961 1 654 . 1 1 55 55 GLY HA3 H 1 4.39 0.02 . 2 . . . . 55 GLY HA3 . 16961 1 655 . 1 1 55 55 GLY C C 13 171 0.2 . 1 . . . . 55 GLY C . 16961 1 656 . 1 1 55 55 GLY CA C 13 45.6 0.2 . 1 . . . . 55 GLY CA . 16961 1 657 . 1 1 55 55 GLY N N 15 105.8 0.2 . 1 . . . . 55 GLY N . 16961 1 658 . 1 1 56 56 LEU H H 1 7.96 0.02 . 1 . . . . 56 LEU H . 16961 1 659 . 1 1 56 56 LEU HA H 1 4.75 0.02 . 1 . . . . 56 LEU HA . 16961 1 660 . 1 1 56 56 LEU HB2 H 1 1.44 0.02 . 2 . . . . 56 LEU HB2 . 16961 1 661 . 1 1 56 56 LEU HB3 H 1 1.89 0.02 . 2 . . . . 56 LEU HB3 . 16961 1 662 . 1 1 56 56 LEU HD11 H 1 0.82 0.02 . 2 . . . . 56 LEU HD1 . 16961 1 663 . 1 1 56 56 LEU HD12 H 1 0.82 0.02 . 2 . . . . 56 LEU HD1 . 16961 1 664 . 1 1 56 56 LEU HD13 H 1 0.82 0.02 . 2 . . . . 56 LEU HD1 . 16961 1 665 . 1 1 56 56 LEU HD21 H 1 0.72 0.02 . 2 . . . . 56 LEU HD2 . 16961 1 666 . 1 1 56 56 LEU HD22 H 1 0.72 0.02 . 2 . . . . 56 LEU HD2 . 16961 1 667 . 1 1 56 56 LEU HD23 H 1 0.72 0.02 . 2 . . . . 56 LEU HD2 . 16961 1 668 . 1 1 56 56 LEU HG H 1 1.46 0.02 . 1 . . . . 56 LEU HG . 16961 1 669 . 1 1 56 56 LEU C C 13 175.2 0.2 . 1 . . . . 56 LEU C . 16961 1 670 . 1 1 56 56 LEU CA C 13 53.7 0.2 . 1 . . . . 56 LEU CA . 16961 1 671 . 1 1 56 56 LEU CB C 13 39.5 0.2 . 1 . . . . 56 LEU CB . 16961 1 672 . 1 1 56 56 LEU CD1 C 13 25.2 0.2 . 2 . . . . 56 LEU CD1 . 16961 1 673 . 1 1 56 56 LEU CD2 C 13 23.9 0.2 . 2 . . . . 56 LEU CD2 . 16961 1 674 . 1 1 56 56 LEU CG C 13 27.3 0.2 . 1 . . . . 56 LEU CG . 16961 1 675 . 1 1 56 56 LEU N N 15 122.6 0.2 . 1 . . . . 56 LEU N . 16961 1 676 . 1 1 57 57 ILE H H 1 8.35 0.02 . 1 . . . . 57 ILE H . 16961 1 677 . 1 1 57 57 ILE HA H 1 3.88 0.02 . 1 . . . . 57 ILE HA . 16961 1 678 . 1 1 57 57 ILE HB H 1 1.72 0.02 . 1 . . . . 57 ILE HB . 16961 1 679 . 1 1 57 57 ILE HD11 H 1 0.53 0.02 . 1 . . . . 57 ILE HD1 . 16961 1 680 . 1 1 57 57 ILE HD12 H 1 0.53 0.02 . 1 . . . . 57 ILE HD1 . 16961 1 681 . 1 1 57 57 ILE HD13 H 1 0.53 0.02 . 1 . . . . 57 ILE HD1 . 16961 1 682 . 1 1 57 57 ILE HG12 H 1 1.46 0.02 . 2 . . . . 57 ILE HG12 . 16961 1 683 . 1 1 57 57 ILE HG13 H 1 1.46 0.02 . 2 . . . . 57 ILE HG13 . 16961 1 684 . 1 1 57 57 ILE HG21 H 1 0.8 0.02 . 1 . . . . 57 ILE HG2 . 16961 1 685 . 1 1 57 57 ILE HG22 H 1 0.8 0.02 . 1 . . . . 57 ILE HG2 . 16961 1 686 . 1 1 57 57 ILE HG23 H 1 0.8 0.02 . 1 . . . . 57 ILE HG2 . 16961 1 687 . 1 1 57 57 ILE C C 13 175.2 0.2 . 1 . . . . 57 ILE C . 16961 1 688 . 1 1 57 57 ILE CA C 13 62.3 0.2 . 1 . . . . 57 ILE CA . 16961 1 689 . 1 1 57 57 ILE CB C 13 38.7 0.2 . 1 . . . . 57 ILE CB . 16961 1 690 . 1 1 57 57 ILE CD1 C 13 12.7 0.2 . 1 . . . . 57 ILE CD1 . 16961 1 691 . 1 1 57 57 ILE CG1 C 13 27.4 0.2 . 1 . . . . 57 ILE CG1 . 16961 1 692 . 1 1 57 57 ILE CG2 C 13 16.9 0.2 . 1 . . . . 57 ILE CG2 . 16961 1 693 . 1 1 57 57 ILE N N 15 123.6 0.2 . 1 . . . . 57 ILE N . 16961 1 694 . 1 1 58 58 ASP H H 1 9.71 0.02 . 1 . . . . 58 ASP H . 16961 1 695 . 1 1 58 58 ASP HA H 1 4.91 0.02 . 1 . . . . 58 ASP HA . 16961 1 696 . 1 1 58 58 ASP HB2 H 1 2.49 0.02 . 2 . . . . 58 ASP HB2 . 16961 1 697 . 1 1 58 58 ASP HB3 H 1 2.67 0.02 . 2 . . . . 58 ASP HB3 . 16961 1 698 . 1 1 58 58 ASP C C 13 175 0.2 . 1 . . . . 58 ASP C . 16961 1 699 . 1 1 58 58 ASP CA C 13 54.4 0.2 . 1 . . . . 58 ASP CA . 16961 1 700 . 1 1 58 58 ASP CB C 13 41.4 0.2 . 1 . . . . 58 ASP CB . 16961 1 701 . 1 1 58 58 ASP N N 15 127.6 0.2 . 1 . . . . 58 ASP N . 16961 1 702 . 1 1 59 59 ALA H H 1 8.06 0.02 . 1 . . . . 59 ALA H . 16961 1 703 . 1 1 59 59 ALA HA H 1 4.8 0.02 . 1 . . . . 59 ALA HA . 16961 1 704 . 1 1 59 59 ALA HB1 H 1 1.37 0.02 . 1 . . . . 59 ALA HB . 16961 1 705 . 1 1 59 59 ALA HB2 H 1 1.37 0.02 . 1 . . . . 59 ALA HB . 16961 1 706 . 1 1 59 59 ALA HB3 H 1 1.37 0.02 . 1 . . . . 59 ALA HB . 16961 1 707 . 1 1 59 59 ALA C C 13 176 0.2 . 1 . . . . 59 ALA C . 16961 1 708 . 1 1 59 59 ALA CA C 13 52.5 0.2 . 1 . . . . 59 ALA CA . 16961 1 709 . 1 1 59 59 ALA CB C 13 22.2 0.2 . 1 . . . . 59 ALA CB . 16961 1 710 . 1 1 59 59 ALA N N 15 118.7 0.2 . 1 . . . . 59 ALA N . 16961 1 711 . 1 1 60 60 LEU H H 1 8.95 0.02 . 1 . . . . 60 LEU H . 16961 1 712 . 1 1 60 60 LEU HA H 1 5.52 0.02 . 1 . . . . 60 LEU HA . 16961 1 713 . 1 1 60 60 LEU HB2 H 1 1.27 0.02 . 2 . . . . 60 LEU HB2 . 16961 1 714 . 1 1 60 60 LEU HB3 H 1 1.70 0.02 . 2 . . . . 60 LEU HB3 . 16961 1 715 . 1 1 60 60 LEU HD11 H 1 0.63 0.02 . 2 . . . . 60 LEU HD1 . 16961 1 716 . 1 1 60 60 LEU HD12 H 1 0.63 0.02 . 2 . . . . 60 LEU HD1 . 16961 1 717 . 1 1 60 60 LEU HD13 H 1 0.63 0.02 . 2 . . . . 60 LEU HD1 . 16961 1 718 . 1 1 60 60 LEU HD21 H 1 0.94 0.02 . 2 . . . . 60 LEU HD2 . 16961 1 719 . 1 1 60 60 LEU HD22 H 1 0.94 0.02 . 2 . . . . 60 LEU HD2 . 16961 1 720 . 1 1 60 60 LEU HD23 H 1 0.94 0.02 . 2 . . . . 60 LEU HD2 . 16961 1 721 . 1 1 60 60 LEU HG H 1 1.67 0.02 . 1 . . . . 60 LEU HG . 16961 1 722 . 1 1 60 60 LEU C C 13 175.6 0.2 . 1 . . . . 60 LEU C . 16961 1 723 . 1 1 60 60 LEU CA C 13 54.2 0.2 . 1 . . . . 60 LEU CA . 16961 1 724 . 1 1 60 60 LEU CB C 13 46.8 0.2 . 1 . . . . 60 LEU CB . 16961 1 725 . 1 1 60 60 LEU CD1 C 13 25.5 0.2 . 2 . . . . 60 LEU CD1 . 16961 1 726 . 1 1 60 60 LEU CD2 C 13 27.0 0.2 . 2 . . . . 60 LEU CD2 . 16961 1 727 . 1 1 60 60 LEU CG C 13 27.0 0.2 . 1 . . . . 60 LEU CG . 16961 1 728 . 1 1 60 60 LEU N N 15 120 0.2 . 1 . . . . 60 LEU N . 16961 1 729 . 1 1 61 61 VAL H H 1 8.62 0.02 . 1 . . . . 61 VAL H . 16961 1 730 . 1 1 61 61 VAL HA H 1 4.59 0.02 . 1 . . . . 61 VAL HA . 16961 1 731 . 1 1 61 61 VAL HB H 1 2.05 0.02 . 1 . . . . 61 VAL HB . 16961 1 732 . 1 1 61 61 VAL HG11 H 1 0.96 0.02 . 2 . . . . 61 VAL HG1 . 16961 1 733 . 1 1 61 61 VAL HG12 H 1 0.96 0.02 . 2 . . . . 61 VAL HG1 . 16961 1 734 . 1 1 61 61 VAL HG13 H 1 0.96 0.02 . 2 . . . . 61 VAL HG1 . 16961 1 735 . 1 1 61 61 VAL HG21 H 1 0.98 0.02 . 2 . . . . 61 VAL HG2 . 16961 1 736 . 1 1 61 61 VAL HG22 H 1 0.98 0.02 . 2 . . . . 61 VAL HG2 . 16961 1 737 . 1 1 61 61 VAL HG23 H 1 0.98 0.02 . 2 . . . . 61 VAL HG2 . 16961 1 738 . 1 1 61 61 VAL C C 13 174 0.2 . 1 . . . . 61 VAL C . 16961 1 739 . 1 1 61 61 VAL CA C 13 62.1 0.2 . 1 . . . . 61 VAL CA . 16961 1 740 . 1 1 61 61 VAL CB C 13 35.6 0.2 . 1 . . . . 61 VAL CB . 16961 1 741 . 1 1 61 61 VAL CG1 C 13 21.3 0.2 . 2 . . . . 61 VAL CG1 . 16961 1 742 . 1 1 61 61 VAL CG2 C 13 21.4 0.2 . 2 . . . . 61 VAL CG2 . 16961 1 743 . 1 1 61 61 VAL N N 15 119.9 0.2 . 1 . . . . 61 VAL N . 16961 1 744 . 1 1 62 62 TYR H H 1 8.35 0.02 . 1 . . . . 62 TYR H . 16961 1 745 . 1 1 62 62 TYR HA H 1 5.34 0.02 . 1 . . . . 62 TYR HA . 16961 1 746 . 1 1 62 62 TYR HB2 H 1 2.66 0.02 . 2 . . . . 62 TYR HB2 . 16961 1 747 . 1 1 62 62 TYR HB3 H 1 3.36 0.02 . 2 . . . . 62 TYR HB3 . 16961 1 748 . 1 1 62 62 TYR HD1 H 1 6.8 0.02 . 3 . . . . 62 TYR HD1 . 16961 1 749 . 1 1 62 62 TYR HD2 H 1 6.8 0.02 . 3 . . . . 62 TYR HD2 . 16961 1 750 . 1 1 62 62 TYR HE1 H 1 6.46 0.02 . 3 . . . . 62 TYR HE1 . 16961 1 751 . 1 1 62 62 TYR HE2 H 1 6.46 0.02 . 3 . . . . 62 TYR HE2 . 16961 1 752 . 1 1 62 62 TYR CA C 13 53.2 0.2 . 1 . . . . 62 TYR CA . 16961 1 753 . 1 1 62 62 TYR CB C 13 43.4 0.2 . 1 . . . . 62 TYR CB . 16961 1 754 . 1 1 62 62 TYR CD1 C 13 131.4 0.2 . 3 . . . . 62 TYR CD1 . 16961 1 755 . 1 1 62 62 TYR CD2 C 13 131.4 0.2 . 3 . . . . 62 TYR CD2 . 16961 1 756 . 1 1 62 62 TYR CE1 C 13 118.4 0.2 . 3 . . . . 62 TYR CE1 . 16961 1 757 . 1 1 62 62 TYR CE2 C 13 118.4 0.2 . 3 . . . . 62 TYR CE2 . 16961 1 758 . 1 1 62 62 TYR N N 15 126 0.2 . 1 . . . . 62 TYR N . 16961 1 759 . 1 1 63 63 PRO HA H 1 4.61 0.02 . 1 . . . . 63 PRO HA . 16961 1 760 . 1 1 63 63 PRO HB2 H 1 1.54 0.02 . 2 . . . . 63 PRO HB2 . 16961 1 761 . 1 1 63 63 PRO HB3 H 1 1.88 0.02 . 2 . . . . 63 PRO HB3 . 16961 1 762 . 1 1 63 63 PRO HD2 H 1 3.43 0.02 . 2 . . . . 63 PRO HD2 . 16961 1 763 . 1 1 63 63 PRO HD3 H 1 3.46 0.02 . 2 . . . . 63 PRO HD3 . 16961 1 764 . 1 1 63 63 PRO HG2 H 1 1.3 0.02 . 2 . . . . 63 PRO HG2 . 16961 1 765 . 1 1 63 63 PRO HG3 H 1 1.76 0.02 . 2 . . . . 63 PRO HG3 . 16961 1 766 . 1 1 63 63 PRO C C 13 176.2 0.2 . 1 . . . . 63 PRO C . 16961 1 767 . 1 1 63 63 PRO CA C 13 62.5 0.2 . 1 . . . . 63 PRO CA . 16961 1 768 . 1 1 63 63 PRO CB C 13 33.2 0.2 . 1 . . . . 63 PRO CB . 16961 1 769 . 1 1 63 63 PRO CD C 13 49.6 0.2 . 1 . . . . 63 PRO CD . 16961 1 770 . 1 1 63 63 PRO CG C 13 25 0.2 . 1 . . . . 63 PRO CG . 16961 1 771 . 1 1 64 64 LEU H H 1 9.08 0.02 . 1 . . . . 64 LEU H . 16961 1 772 . 1 1 64 64 LEU HA H 1 4.17 0.02 . 1 . . . . 64 LEU HA . 16961 1 773 . 1 1 64 64 LEU HB2 H 1 1.42 0.02 . 2 . . . . 64 LEU HB2 . 16961 1 774 . 1 1 64 64 LEU HB3 H 1 1.62 0.02 . 2 . . . . 64 LEU HB3 . 16961 1 775 . 1 1 64 64 LEU HD11 H 1 0.87 0.02 . 2 . . . . 64 LEU HD1 . 16961 1 776 . 1 1 64 64 LEU HD12 H 1 0.87 0.02 . 2 . . . . 64 LEU HD1 . 16961 1 777 . 1 1 64 64 LEU HD13 H 1 0.87 0.02 . 2 . . . . 64 LEU HD1 . 16961 1 778 . 1 1 64 64 LEU HD21 H 1 0.84 0.02 . 2 . . . . 64 LEU HD2 . 16961 1 779 . 1 1 64 64 LEU HD22 H 1 0.84 0.02 . 2 . . . . 64 LEU HD2 . 16961 1 780 . 1 1 64 64 LEU HD23 H 1 0.84 0.02 . 2 . . . . 64 LEU HD2 . 16961 1 781 . 1 1 64 64 LEU HG H 1 1.52 0.02 . 1 . . . . 64 LEU HG . 16961 1 782 . 1 1 64 64 LEU C C 13 177.1 0.2 . 1 . . . . 64 LEU C . 16961 1 783 . 1 1 64 64 LEU CA C 13 56 0.2 . 1 . . . . 64 LEU CA . 16961 1 784 . 1 1 64 64 LEU CB C 13 42.7 0.2 . 1 . . . . 64 LEU CB . 16961 1 785 . 1 1 64 64 LEU CD1 C 13 24.3 0.2 . 2 . . . . 64 LEU CD1 . 16961 1 786 . 1 1 64 64 LEU CD2 C 13 25 0.2 . 2 . . . . 64 LEU CD2 . 16961 1 787 . 1 1 64 64 LEU CG C 13 26.8 0.2 . 1 . . . . 64 LEU CG . 16961 1 788 . 1 1 64 64 LEU N N 15 124.4 0.2 . 1 . . . . 64 LEU N . 16961 1 789 . 1 1 65 65 GLU H H 1 8.63 0.02 . 1 . . . . 65 GLU H . 16961 1 790 . 1 1 65 65 GLU HA H 1 4.3 0.02 . 1 . . . . 65 GLU HA . 16961 1 791 . 1 1 65 65 GLU HB2 H 1 1.88 0.02 . 2 . . . . 65 GLU HB2 . 16961 1 792 . 1 1 65 65 GLU HB3 H 1 1.88 0.02 . 2 . . . . 65 GLU HB3 . 16961 1 793 . 1 1 65 65 GLU HG2 H 1 2.22 0.02 . 2 . . . . 65 GLU HG2 . 16961 1 794 . 1 1 65 65 GLU HG3 H 1 2.22 0.02 . 2 . . . . 65 GLU HG3 . 16961 1 795 . 1 1 65 65 GLU C C 13 175.8 0.2 . 1 . . . . 65 GLU C . 16961 1 796 . 1 1 65 65 GLU CA C 13 55.8 0.2 . 1 . . . . 65 GLU CA . 16961 1 797 . 1 1 65 65 GLU CB C 13 30.4 0.2 . 1 . . . . 65 GLU CB . 16961 1 798 . 1 1 65 65 GLU CG C 13 35.2 0.2 . 1 . . . . 65 GLU CG . 16961 1 799 . 1 1 65 65 GLU N N 15 122.7 0.2 . 1 . . . . 65 GLU N . 16961 1 800 . 1 1 66 66 HIS H H 1 8.59 0.02 . 1 . . . . 66 HIS H . 16961 1 801 . 1 1 66 66 HIS HA H 1 4.59 0.02 . 1 . . . . 66 HIS HA . 16961 1 802 . 1 1 66 66 HIS HB2 H 1 3.03 0.02 . 2 . . . . 66 HIS HB2 . 16961 1 803 . 1 1 66 66 HIS HB3 H 1 3.13 0.02 . 2 . . . . 66 HIS HB3 . 16961 1 804 . 1 1 66 66 HIS CA C 13 55.2 0.2 . 1 . . . . 66 HIS CA . 16961 1 805 . 1 1 66 66 HIS CB C 13 29 0.2 . 1 . . . . 66 HIS CB . 16961 1 806 . 1 1 66 66 HIS N N 15 119.4 0.2 . 1 . . . . 66 HIS N . 16961 1 807 . 1 1 67 67 HIS H H 1 8.62 0.02 . 1 . . . . 67 HIS H . 16961 1 808 . 1 1 67 67 HIS HA H 1 4.61 0.02 . 1 . . . . 67 HIS HA . 16961 1 809 . 1 1 67 67 HIS HB2 H 1 3.04 0.02 . 2 . . . . 67 HIS HB2 . 16961 1 810 . 1 1 67 67 HIS HB3 H 1 3.16 0.02 . 2 . . . . 67 HIS HB3 . 16961 1 811 . 1 1 67 67 HIS N N 15 119.4 0.2 . 1 . . . . 67 HIS N . 16961 1 812 . 1 1 68 68 HIS H H 1 8.68 0.02 . 1 . . . . 68 HIS H . 16961 1 813 . 1 1 68 68 HIS HA H 1 4.63 0.02 . 1 . . . . 68 HIS HA . 16961 1 814 . 1 1 68 68 HIS HB2 H 1 3.08 0.02 . 2 . . . . 68 HIS HB2 . 16961 1 815 . 1 1 68 68 HIS HB3 H 1 3.17 0.02 . 2 . . . . 68 HIS HB3 . 16961 1 816 . 1 1 68 68 HIS CA C 13 55.2 0.2 . 1 . . . . 68 HIS CA . 16961 1 817 . 1 1 68 68 HIS CB C 13 29.2 0.2 . 1 . . . . 68 HIS CB . 16961 1 818 . 1 1 68 68 HIS N N 15 119.9 0.2 . 1 . . . . 68 HIS N . 16961 1 819 . 1 1 69 69 HIS H H 1 8.58 0.02 . 1 . . . . 69 HIS H . 16961 1 820 . 1 1 69 69 HIS HA H 1 4.63 0.02 . 1 . . . . 69 HIS HA . 16961 1 821 . 1 1 69 69 HIS HB2 H 1 3.18 0.02 . 2 . . . . 69 HIS HB2 . 16961 1 822 . 1 1 69 69 HIS HB3 H 1 3.18 0.02 . 2 . . . . 69 HIS HB3 . 16961 1 823 . 1 1 69 69 HIS CA C 13 55.2 0.2 . 1 . . . . 69 HIS CA . 16961 1 824 . 1 1 69 69 HIS CB C 13 29.2 0.2 . 1 . . . . 69 HIS CB . 16961 1 825 . 1 1 69 69 HIS N N 15 120.7 0.2 . 1 . . . . 69 HIS N . 16961 1 826 . 1 1 70 70 HIS H H 1 8.68 0.02 . 1 . . . . 70 HIS H . 16961 1 827 . 1 1 70 70 HIS HA H 1 4.60 0.02 . 1 . . . . 70 HIS HA . 16961 1 828 . 1 1 70 70 HIS HB2 H 1 3.2 0.02 . 2 . . . . 70 HIS HB2 . 16961 1 829 . 1 1 70 70 HIS HB3 H 1 3.2 0.02 . 2 . . . . 70 HIS HB3 . 16961 1 830 . 1 1 70 70 HIS C C 13 173.5 0.2 . 1 . . . . 70 HIS C . 16961 1 831 . 1 1 70 70 HIS CA C 13 55.5 0.2 . 1 . . . . 70 HIS CA . 16961 1 832 . 1 1 70 70 HIS CB C 13 29.3 0.2 . 1 . . . . 70 HIS CB . 16961 1 833 . 1 1 70 70 HIS N N 15 120.6 0.2 . 1 . . . . 70 HIS N . 16961 1 834 . 1 1 71 71 HIS H H 1 8.41 0.02 . 1 . . . . 71 HIS H . 16961 1 835 . 1 1 71 71 HIS HA H 1 4.40 0.02 . 1 . . . . 71 HIS HA . 16961 1 836 . 1 1 71 71 HIS HB2 H 1 3.11 0.02 . 2 . . . . 71 HIS HB2 . 16961 1 837 . 1 1 71 71 HIS HB3 H 1 3.11 0.02 . 2 . . . . 71 HIS HB3 . 16961 1 838 . 1 1 71 71 HIS CA C 13 57.1 0.2 . 1 . . . . 71 HIS CA . 16961 1 839 . 1 1 71 71 HIS CB C 13 29.4 0.2 . 1 . . . . 71 HIS CB . 16961 1 840 . 1 1 71 71 HIS N N 15 125.7 0.2 . 1 . . . . 71 HIS N . 16961 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_Nnoesy.list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Nnoesy.list _Spectral_peak_list.Entry_ID 16961 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $NC_sample _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 105.798 0.463 8.166 2417502 105.812 8.770 8.169 9205942 105.825 1.721 8.163 6081435 105.830 0.831 8.162 1974871 105.830 5.582 8.165 19172824 105.834 5.356 8.168 3416896 105.834 8.148 8.166 64100548 105.835 3.727 8.165 6901028 105.846 1.917 8.165 5126820 105.848 4.395 8.157 3692205 105.854 1.512 8.165 5357223 105.854 1.626 8.165 6452954 105.865 3.923 8.169 2868935 105.879 0.781 8.163 2254874 106.182 2.063 7.582 3284024 106.206 8.916 7.583 8428051 106.224 0.808 7.587 1530593 106.225 8.704 7.584 4061719 106.236 6.461 7.585 12074846 106.236 1.595 7.585 6883608 106.236 4.474 7.583 22925604 106.240 1.151 7.581 12393162 106.241 2.497 7.582 3614122 106.242 8.488 7.584 35709336 106.242 7.574 7.583 257012832 106.247 3.854 7.583 28918720 106.248 4.693 7.582 19001194 106.252 9.125 7.584 6270823 106.272 2.339 7.584 9117113 106.283 0.966 7.581 8580363 106.729 1.918 8.831 2117812 106.738 4.491 8.841 3806230 106.739 0.795 8.843 3160850 106.749 9.379 8.836 1424681 106.752 4.395 8.841 2722665 106.752 3.720 8.841 6165879 106.752 8.745 8.839 2066872 106.752 8.843 8.839 21970786 106.761 3.763 8.837 6165879 106.766 4.816 8.838 9596534 106.769 0.416 8.840 5652856 106.791 0.992 8.828 2377418 107.419 1.689 8.909 1790834 107.428 1.396 8.909 4709382 107.456 4.806 8.910 8854762 107.461 9.226 8.910 1977947 107.465 8.911 8.911 12233334 107.468 5.351 8.912 1431328 107.468 4.016 8.912 7485724 107.470 5.279 8.912 3015250 109.259 2.308 7.766 2475634 109.288 8.863 7.772 3303113 109.302 1.122 7.770 6147734 109.319 8.464 7.770 7944808 109.322 3.825 7.770 4549758 109.324 4.553 7.771 9278579 109.326 0.743 7.770 22376314 109.328 1.877 7.768 12258459 109.331 8.632 7.770 16272931 109.339 7.753 7.770 95652856 109.340 3.700 7.774 5320339 109.342 1.503 7.769 2992816 109.345 4.130 7.770 8879323 109.372 2.115 7.771 5578216 109.911 0.917 8.005 1749420 109.927 1.714 7.995 3041452 109.934 4.358 7.994 10271495 109.939 4.043 7.995 25985618 109.944 4.160 7.995 21764106 109.946 7.986 7.995 101913952 109.947 0.666 7.994 4782032 109.947 1.333 7.994 15325199 109.949 8.271 7.993 7049300 109.951 7.488 7.994 20075120 109.978 1.915 7.994 4547339 110.031 2.313 6.573 2079654 110.031 1.887 6.575 1291060 110.031 7.810 6.575 46701216 110.031 6.547 6.567 67071652 110.031 2.149 6.575 2749105 110.031 0.840 6.575 2985020 110.031 1.001 6.571 5394324 110.051 1.957 7.838 2523466 110.051 6.563 7.834 27404260 110.051 2.134 7.830 4366594 110.051 2.311 7.830 4174038 110.051 0.817 7.827 2417083 110.051 0.978 7.830 3330551 110.166 2.160 7.213 6202850 110.166 1.402 7.208 4185716 110.166 1.356 7.207 4176330 110.166 1.348 6.814 2107386 110.166 5.230 7.214 1550387 110.166 1.749 7.214 1186669 110.166 2.126 6.802 3243844 110.166 7.186 7.210 128715512 110.166 7.194 6.795 36512888 110.166 6.786 7.214 31396730 110.166 6.778 6.802 105151208 110.166 2.242 7.210 8561043 110.166 2.280 6.810 2845840 110.699 4.935 8.336 3282567 110.706 1.641 8.342 3921213 110.709 7.729 8.340 6680420 110.711 1.946 8.347 1559218 110.711 2.047 8.344 1784584 110.714 2.751 8.340 2231587 110.717 8.329 8.341 17290450 110.717 1.469 8.341 2674673 110.717 1.727 8.342 2324039 110.743 3.564 8.333 1342067 110.754 4.599 8.332 1887676 110.900 1.155 6.148 2748081 110.900 8.473 8.474 9910665 110.900 6.147 6.148 27931012 110.900 2.234 8.470 1643862 110.900 2.234 6.148 1440038 110.900 0.516 8.474 1286738 110.900 0.508 6.148 1884272 111.595 0.940 6.821 4878210 111.595 8.573 7.549 2347666 111.595 8.581 6.818 1138274 111.595 2.696 7.549 19977692 111.595 2.696 6.821 9524165 111.595 2.889 7.549 10314615 111.595 2.896 6.821 5706320 111.595 7.541 6.821 179390208 111.595 6.817 7.545 133677376 111.595 4.722 7.545 1739016 111.595 4.722 6.814 2067670 111.595 0.732 7.549 4802486 111.595 0.732 6.821 2293104 111.605 9.685 8.242 2513764 111.698 8.972 8.244 3175298 111.708 1.601 8.242 14536738 111.711 5.163 8.242 39696524 111.711 8.670 8.250 3012834 111.711 3.908 8.244 9772180 111.712 1.358 8.242 7432206 111.712 4.894 8.244 15624057 111.713 0.780 8.246 4722272 111.713 8.226 8.243 106486912 111.715 5.181 8.242 39696524 111.715 0.429 8.243 19681330 111.718 1.962 8.244 14664324 111.795 2.013 7.613 7909579 111.800 5.361 7.611 4445402 111.805 7.997 7.615 6158015 111.806 1.394 7.612 19191878 111.807 1.521 7.610 6745606 111.813 0.763 7.612 23029536 111.819 1.260 7.618 6623521 111.830 5.571 7.612 32779428 111.840 8.574 7.610 1921949 111.854 0.526 7.612 6469988 111.857 4.797 7.618 4988268 111.885 7.294 6.995 31381926 111.904 2.326 7.314 4789998 111.904 6.971 7.303 39086824 111.904 2.480 7.303 5959399 111.904 1.579 7.295 1506078 112.980 3.781 8.499 3601720 113.013 2.499 8.499 6821356 113.017 8.693 8.493 5776746 113.017 1.606 8.494 7682463 113.021 1.339 8.492 2260410 113.022 8.487 8.494 48695392 113.022 2.349 8.493 16156095 113.025 1.150 8.493 5354550 113.028 2.060 8.492 9588547 113.032 7.575 8.491 19024792 113.042 0.947 8.493 7898366 113.245 3.938 7.751 3450360 113.250 7.948 7.751 15286948 113.253 3.749 7.756 2230099 113.257 1.679 7.753 21858370 113.258 3.070 7.751 34496116 113.258 3.137 7.751 37164344 113.259 1.506 7.752 31657654 113.260 7.733 7.751 504690752 113.262 1.278 7.753 10865700 113.266 6.801 7.752 24972404 113.300 0.727 7.753 2892246 113.316 1.888 7.753 4337673 116.804 9.380 8.871 3125541 116.808 2.277 8.873 3030758 116.819 2.062 8.878 5244906 116.828 3.791 8.876 12418890 116.831 8.976 8.876 5151887 116.831 8.876 8.877 25694174 116.833 4.819 8.877 13718999 116.837 1.371 8.876 7822190 116.862 1.904 8.877 7788970 116.905 1.605 8.883 2797985 117.867 3.770 7.404 5043792 117.873 0.865 7.405 5515998 117.873 5.136 7.402 2184258 117.875 0.682 7.405 12677110 117.875 1.156 7.401 4069464 117.893 4.504 7.404 5907011 117.898 0.745 7.404 26990816 117.899 7.381 7.404 109776056 117.900 4.361 7.404 8946002 117.905 1.641 7.404 9272588 117.906 8.823 7.404 19079100 117.907 1.895 7.403 8264924 117.907 2.226 7.405 4954189 117.907 9.009 7.406 6692015 117.909 2.152 7.404 8870136 117.910 4.072 7.406 6460302 117.919 1.782 7.406 7201631 117.956 5.581 7.991 1929476 117.989 1.923 8.009 5439934 118.012 7.151 8.013 5325050 118.019 4.222 8.006 11944365 118.021 2.224 7.998 4716104 118.040 2.925 8.008 5897626 118.055 1.772 8.008 3790581 118.056 1.347 7.957 9320931 118.060 7.518 7.955 1703046 118.065 5.238 7.949 3752238 118.072 8.773 8.015 1570744 118.072 8.011 8.004 34245748 118.074 1.716 7.952 7717592 118.085 0.699 7.958 2416086 118.085 7.959 7.955 70326240 118.086 5.349 8.003 3252474 118.089 4.167 7.954 5952253 118.091 2.159 7.953 9545790 118.095 4.040 7.952 5152560 118.142 8.423 7.956 2813539 118.318 1.797 9.395 6311074 118.321 3.787 9.396 5786893 118.322 0.987 9.399 3414019 118.325 4.817 9.397 6102466 118.328 0.428 9.399 12374337 118.330 4.630 9.398 6369252 118.332 9.384 9.398 33462746 118.333 8.873 9.397 6522732 118.333 1.493 9.398 10028959 118.347 1.917 9.399 5373758 118.382 2.388 9.398 3044824 118.724 8.952 8.064 3910239 118.733 0.915 8.062 3839640 118.745 3.927 8.059 4592446 118.745 4.933 8.061 6570835 118.745 1.609 8.060 9952079 118.745 3.858 8.059 10761360 118.747 2.663 8.062 7822890 118.748 8.655 8.062 9506518 118.748 0.782 8.061 28221310 118.748 9.688 8.061 29078852 118.749 1.360 8.060 26605232 118.751 8.052 8.061 136720592 118.755 4.873 8.061 12761791 118.764 2.470 8.060 9769913 118.770 1.958 8.059 4680443 119.321 0.844 8.597 8967513 119.322 4.136 7.516 3415758 119.334 7.980 7.505 6319408 119.336 1.687 7.510 2244278 119.336 7.490 7.506 27841848 119.336 4.362 7.507 4912122 119.337 8.284 7.506 7336222 119.337 4.278 8.593 204385168 119.339 1.871 8.593 68109184 119.340 1.554 8.596 7023491 119.340 2.206 8.594 28540914 119.342 1.333 7.506 12847357 119.343 1.923 7.503 8192373 119.911 4.617 8.941 6240298 119.920 2.634 8.944 5775949 119.921 4.640 8.942 5471594 119.921 8.936 8.942 24282374 119.924 1.622 8.941 4999828 119.924 1.357 8.941 14700299 119.932 3.369 8.940 5082407 119.932 0.963 8.943 6684006 119.933 1.681 8.942 7047562 119.938 5.506 8.943 4317936 119.942 0.612 8.943 4428784 120.037 1.684 8.638 8796311 120.041 9.055 8.640 8412503 120.041 0.584 8.637 20831628 120.042 5.505 8.638 44340600 120.042 1.262 8.637 10040238 120.045 2.030 8.637 14859643 120.047 0.966 8.638 37640980 120.061 3.784 8.639 5281204 120.321 8.766 7.953 10281555 120.329 3.096 7.954 9183846 120.331 3.936 7.955 27426582 120.332 1.276 7.955 17114648 120.336 4.707 7.955 49569032 120.336 7.951 7.955 480614752 120.336 1.680 7.955 54019936 120.336 0.720 7.955 16405636 120.338 1.505 7.955 70112568 120.342 2.671 7.954 10993563 120.344 8.566 7.956 48938528 120.345 2.882 7.956 8228486 120.404 3.730 8.819 1970542 120.417 0.721 8.570 32128258 120.418 2.878 8.570 45492144 120.418 2.671 8.570 107246672 120.423 2.108 8.573 6806317 120.424 0.920 8.571 10676333 120.429 7.949 8.571 80280216 120.434 1.677 8.570 7770166 120.442 1.501 8.571 13777898 120.443 0.725 8.823 2932015 120.455 8.567 8.572 1233542912 120.466 7.377 8.823 4584639 120.474 1.279 8.569 3669460 120.484 4.637 8.574 192210256 120.484 4.722 8.574 89890144 120.506 4.066 8.816 3938224 120.542 8.823 8.818 8361454 120.556 4.213 8.823 1329353 120.556 5.131 8.820 2531355 120.600 4.528 8.826 1570330 120.680 8.905 8.698 12530330 120.776 9.438 9.080 1101270 120.828 8.620 9.073 9521987 120.828 1.604 9.074 3268614 120.828 8.950 9.068 4129720 120.828 4.595 9.074 2582441 120.879 5.322 9.071 7893936 120.882 1.445 9.074 5822554 120.889 9.049 9.070 33855632 120.891 2.025 9.074 4817192 120.891 0.953 9.072 8306194 120.893 3.778 9.073 9824353 120.896 0.993 8.924 3574086 120.897 0.580 9.071 19372258 120.898 0.837 9.071 14471659 120.902 5.220 9.071 18937022 120.906 2.147 8.928 7464664 120.906 2.230 8.926 8181690 120.908 4.640 8.927 21358292 120.913 5.132 8.706 8244612 120.920 1.150 8.926 16273330 120.920 1.180 9.070 2632499 120.922 7.574 8.930 2635609 120.931 1.151 8.708 10411332 120.932 8.923 8.927 37276140 120.932 5.738 8.925 1181232 120.933 1.353 8.707 11840801 120.933 1.671 8.710 11339308 120.936 5.133 8.926 4665574 120.936 4.832 8.925 6820158 120.943 3.755 8.709 8634991 120.943 2.067 8.709 9799337 120.950 0.933 8.708 13255776 120.956 8.918 8.696 5108711 120.956 4.208 8.706 4513788 120.961 4.194 8.930 2071037 120.962 5.734 8.710 8712821 121.044 0.803 8.942 2895630 121.227 0.424 8.982 9638568 121.230 2.276 8.981 6893932 121.233 7.956 8.980 5023083 121.241 8.966 8.981 43171140 121.242 1.880 8.982 12174517 121.245 4.904 8.980 15179825 121.245 3.905 8.980 11872319 121.247 0.788 8.981 4384282 121.247 4.845 8.981 22367882 121.247 3.880 8.981 11872319 121.251 1.455 8.980 9773183 121.266 2.075 8.983 4650094 121.281 9.679 8.982 2669702 121.342 8.245 8.976 2455504 121.518 4.315 7.752 1475896 121.524 8.328 7.755 41661752 121.525 4.922 7.756 10977428 121.526 3.559 7.749 1745361 121.526 5.173 7.757 14700831 121.529 0.430 7.757 15504279 121.529 4.633 7.757 3341468 121.532 2.749 7.756 27423134 121.533 7.734 7.756 160791328 121.535 1.734 7.755 11235840 121.535 1.473 7.757 5781556 121.535 1.597 7.755 12219834 121.535 1.648 7.755 17611058 121.535 1.986 7.756 17330916 121.537 1.512 7.756 5781556 121.550 0.782 7.759 4142163 121.574 9.243 7.755 4704806 121.639 9.060 8.299 3997090 121.648 0.930 8.285 1421658 121.651 1.477 8.296 5728539 121.654 0.680 8.301 1509982 121.666 7.985 8.292 2734778 121.670 1.924 8.295 24805400 121.679 7.491 8.291 12082267 121.689 4.128 8.295 11332676 121.691 8.278 8.295 66127004 121.711 1.685 8.295 4636300 121.885 1.534 9.327 8324688 121.895 1.271 9.323 2592339 121.900 5.454 9.325 20036572 121.900 9.307 9.325 45184520 121.900 8.580 9.323 1905008 121.904 3.832 9.325 11536468 121.908 0.768 9.325 13411059 121.917 0.578 9.327 6551714 121.937 5.721 9.326 4776906 122.012 2.164 8.431 4006302 122.041 8.591 8.431 4118439 122.041 5.349 8.431 2001053 122.045 4.824 8.425 2763265 122.050 5.243 8.429 8798830 122.050 2.252 8.432 2051611 122.071 0.852 8.429 5520524 122.131 1.746 8.430 2872541 122.144 1.387 8.428 2052543 122.365 0.865 8.770 3334982 122.365 8.743 8.748 10791818 122.365 1.607 8.768 1095652 122.365 1.744 8.767 1268300 122.367 8.479 9.338 1491339 122.368 4.908 8.744 4929495 122.400 8.641 9.038 4795766 122.400 7.383 9.035 6845920 122.407 0.766 9.034 14867928 122.410 9.014 9.034 50615980 122.411 0.572 9.341 3443961 122.411 1.146 9.340 4986186 122.412 2.161 9.036 13692076 122.413 4.985 9.034 22102414 122.416 5.317 9.345 3113570 122.419 1.880 9.035 14641449 122.423 1.152 9.033 3387471 122.430 1.645 9.036 5509593 122.433 4.641 9.034 5001902 122.438 1.677 9.342 6189094 122.441 1.334 9.032 5198124 122.442 5.481 9.341 18352420 122.443 4.987 9.342 5460134 122.446 9.328 9.340 34773328 122.448 4.161 9.029 4052470 122.451 9.017 9.342 3197873 122.452 0.837 9.340 24883696 122.452 1.818 9.338 7767793 122.455 1.452 9.340 2617832 122.455 1.340 9.338 3695602 122.478 0.861 8.734 4919202 122.633 8.628 9.339 3296728 122.651 8.627 9.039 8557526 122.656 0.724 7.956 6303225 122.656 0.819 7.953 5126484 122.658 7.954 7.958 56997840 122.665 1.451 7.958 18246546 122.666 4.380 7.957 8076898 122.668 4.832 7.956 4621090 122.668 3.873 7.955 2727616 122.668 1.711 7.958 3018026 122.668 3.732 7.955 10400759 122.668 4.763 7.958 7403082 122.672 0.432 7.955 8921365 122.674 1.872 7.960 11469579 122.693 4.237 8.770 5179112 122.693 1.801 8.768 5315982 122.693 1.941 8.767 4641954 122.693 0.828 8.772 2415658 122.703 8.975 7.961 2894589 122.707 1.289 8.779 1268119 122.719 1.427 8.634 16771896 122.719 1.522 8.638 22086878 122.719 1.618 8.638 18300702 122.724 4.285 8.637 42392136 122.724 4.163 8.640 84258592 122.724 0.854 8.638 41970388 122.725 8.625 8.638 395832064 122.725 1.865 8.637 68241760 122.728 2.208 8.637 33913928 122.730 8.341 7.958 2538787 122.758 2.214 8.759 4574918 122.769 3.944 8.770 15216391 122.771 1.499 8.770 7220949 122.781 8.768 8.769 32448472 122.794 4.759 8.770 2470956 122.796 8.146 8.769 3478790 122.803 0.729 8.773 3090808 122.806 7.958 8.774 1849843 123.403 4.553 8.851 3236144 123.476 3.796 8.872 1193060 123.476 8.869 8.867 4785289 123.476 0.758 8.880 1209079 123.513 2.918 8.857 1816097 123.539 1.739 8.354 7058337 123.547 0.762 8.354 6881604 123.553 0.516 8.355 7477374 123.560 3.860 8.360 3077601 123.562 8.786 8.359 1618629 123.562 8.342 8.356 35955460 123.563 1.458 8.356 7440967 123.564 4.744 8.355 16523778 123.631 7.959 8.343 1431094 123.887 4.628 8.768 31725638 123.888 2.641 8.772 50141808 123.890 2.119 8.772 24571666 123.892 2.773 8.772 40064036 123.893 4.088 8.772 102659456 123.894 8.770 8.772 471088576 124.182 9.432 9.147 1554430 124.226 7.574 9.152 4556654 124.245 4.813 9.154 8806156 124.245 1.972 9.153 21273452 124.246 3.855 9.152 17202012 124.249 4.473 9.155 18651794 124.252 0.988 9.154 28016884 124.262 9.124 9.153 53460824 124.284 1.517 8.591 3816221 124.287 0.837 9.151 17716550 124.297 0.542 8.589 3308236 124.306 3.835 8.590 10161183 124.308 8.580 8.591 50280856 124.308 8.443 8.591 4012428 124.309 5.579 8.591 6629696 124.311 5.721 8.592 16656900 124.314 9.305 8.585 1929961 124.314 1.258 8.589 5580276 124.322 0.753 8.592 5957016 124.334 0.852 8.591 4596270 124.334 5.355 8.591 4785926 124.399 4.167 9.071 10049876 124.405 5.330 9.087 14325355 124.409 4.607 9.086 21613928 124.412 6.784 9.090 5494378 124.414 1.527 9.085 20593036 124.414 1.618 9.085 17033742 124.415 0.837 9.088 19481776 124.418 9.062 9.087 57950484 124.419 8.627 9.088 9987211 124.423 5.504 8.661 5493992 124.423 1.418 9.087 18724390 124.424 0.964 9.088 10632860 124.424 5.185 8.667 8396921 124.426 1.881 9.087 9004417 124.428 9.694 8.661 1810211 124.431 0.587 8.666 4366618 124.436 0.920 8.667 13312120 124.438 0.775 8.666 28204864 124.441 6.472 9.088 1432184 124.441 8.049 8.666 8126552 124.442 8.652 8.667 74845432 124.447 0.442 8.666 3451552 124.447 1.356 8.666 12895302 124.450 1.812 8.665 3721754 124.450 4.616 8.667 27565722 124.450 1.594 8.666 19755026 124.453 8.962 8.663 4677196 124.455 1.963 8.665 9239330 124.522 8.212 8.665 2002485 124.639 1.978 8.742 2257857 124.639 1.771 8.742 1398218 124.639 4.836 8.738 5855449 124.647 0.871 8.738 5153644 124.810 8.898 8.897 7449128 124.811 4.137 8.898 3581867 125.272 5.467 8.468 2479818 125.294 8.446 8.462 27632634 125.300 1.512 8.457 3067908 125.303 0.906 8.461 9499835 125.304 8.642 8.463 2955864 125.304 4.892 8.463 1379756 125.304 4.611 8.462 11244248 125.304 0.775 8.459 7186604 125.313 1.788 8.457 4031672 125.329 1.109 8.459 4253775 125.393 9.056 9.080 2371510 125.442 1.595 9.087 1996630 125.682 3.104 8.416 43395300 125.692 4.396 8.411 34021992 125.694 3.181 8.416 58691720 125.696 4.600 8.416 153198368 125.943 2.030 8.365 2631682 125.983 2.640 8.362 4349880 125.987 4.572 8.362 32093066 125.996 0.595 8.361 4880389 126.000 8.344 8.362 67384576 126.005 1.690 8.366 4458073 126.007 0.970 8.364 26013136 126.014 3.357 8.364 4329425 126.024 5.326 8.364 4536822 126.863 9.003 9.007 5380194 126.887 5.353 9.029 3931624 126.900 5.440 9.021 1541884 126.937 0.835 9.005 1915747 126.939 5.598 9.032 1573447 126.971 1.446 9.014 1738212 127.029 4.894 9.746 1306501 127.118 2.072 9.739 1903484 127.118 9.745 9.748 10295174 127.129 0.864 9.747 4733924 127.148 1.982 9.741 2307795 127.148 5.357 9.747 4977216 127.150 5.707 9.735 1156403 127.236 1.934 9.739 2597277 127.552 0.777 9.693 2364276 127.579 8.049 9.694 3579839 127.580 2.470 9.694 1824399 127.580 3.923 9.687 1603151 127.580 3.851 9.688 3607608 127.580 4.886 9.692 2513487 127.590 9.694 9.695 6226720 128.557 2.782 7.730 1730658 128.572 7.678 7.693 3464374 128.605 2.014 8.974 2200606 128.617 5.482 8.989 3017457 128.617 0.865 8.982 12386266 128.617 3.756 8.991 1465943 128.617 8.973 8.984 22391728 128.617 0.735 8.986 10567381 128.621 9.238 8.986 2913275 128.621 0.817 8.985 14294453 128.629 5.289 8.984 13128126 128.630 1.793 8.987 5500744 128.630 1.560 8.984 6324889 128.655 4.612 8.978 3352570 128.710 7.721 9.255 2294664 128.732 0.432 9.254 2609805 128.782 5.177 9.252 10183054 128.784 1.582 9.251 5040709 128.787 9.242 9.252 14939848 128.787 5.202 9.253 10183054 128.790 4.628 9.252 2260946 128.800 1.801 9.254 5506350 128.802 0.908 9.248 3402835 128.815 2.002 9.251 4184514 128.817 0.783 9.258 4594375 128.836 4.991 8.648 3046560 128.838 1.076 9.253 1751340 128.838 8.968 9.254 1867688 128.841 0.743 8.649 6423855 128.858 1.796 8.651 1329713 128.858 7.757 8.639 4834426 128.861 8.631 8.647 12425607 128.861 1.978 8.648 3484464 128.861 0.865 8.650 4161583 128.866 4.150 8.646 6043311 128.869 9.019 8.660 1694217 128.873 1.879 8.648 4030691 128.890 1.110 8.651 1653248 128.963 2.116 8.640 1917050 130.499 0.982 9.458 7438680 130.514 9.059 9.454 1557900 130.514 9.339 9.457 6476420 130.514 9.130 9.454 2354197 130.514 1.981 9.452 2041654 130.514 9.437 9.457 28730136 130.520 0.578 9.458 5958596 130.524 4.640 9.455 4140650 130.526 0.831 9.457 16453177 130.527 4.828 9.458 16792536 130.527 1.168 9.457 8485272 130.544 1.443 9.455 3263445 130.548 5.192 9.465 2488169 130.562 1.589 9.457 6353709 ; 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 N 15 NH 1 2499.996 . . . 16961 1 2 H 1 H 2 10416.667 . . . 16961 1 3 H 1 HN 1 12755.102 . . . 16961 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 7 $SPARKY . . 16961 1 stop_ save_ save_Cnoesy.list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Cnoesy.list _Spectral_peak_list.Entry_ID 16961 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $NC_sample _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 5 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 12.549 4.751 0.919 65518580 12.556 3.771 0.920 47668076 12.556 2.892 0.920 38026476 12.557 2.075 0.918 69059800 12.558 1.678 0.919 104554784 12.562 0.923 0.919 3957230080 12.565 1.361 0.919 120065672 12.568 2.229 0.919 46143596 12.568 2.690 0.920 22491198 12.572 8.702 0.921 38587064 12.573 6.146 0.918 10090246 12.577 5.737 0.920 11936662 12.579 8.495 0.919 15754334 12.589 4.205 0.922 10333958 12.676 9.708 0.530 3792317 12.697 9.006 0.522 3465667 12.725 0.802 0.523 184671968 12.725 0.530 0.523 902772544 12.742 1.938 0.526 18381938 12.753 1.753 0.525 41850904 12.754 1.475 0.524 64879300 12.754 3.864 0.525 12584439 12.769 2.230 0.528 9520789 12.770 8.347 0.525 14164463 12.782 1.316 0.525 18141296 12.797 8.787 0.523 4110478 15.480 2.923 0.780 8388815 15.480 4.885 0.784 18925262 15.507 9.247 0.772 7212984 15.507 1.104 0.778 62372412 15.507 1.586 0.775 61902076 15.507 0.929 0.780 219218576 15.507 4.637 0.726 19440362 15.507 1.813 0.728 54611004 15.507 1.568 0.726 87452640 15.507 1.656 0.726 42872012 15.507 0.793 0.723 648431424 15.507 9.242 0.723 5825108 15.510 7.178 0.781 17907742 15.511 4.624 0.774 24382548 15.513 0.442 0.778 78484600 15.518 1.815 0.776 78195392 15.520 3.792 0.784 5840340 15.526 7.043 0.779 22831850 15.530 5.307 0.732 5783466 15.542 8.473 0.778 3950138 15.550 8.839 0.776 8446549 15.558 7.703 0.783 3919788 15.559 8.656 0.727 5901263 15.579 8.984 0.725 12821733 15.631 5.496 0.725 5025944 16.850 8.976 0.793 6080449 16.886 8.349 0.796 12829061 16.897 4.634 0.791 11796967 16.900 1.943 0.792 9414805 16.900 1.792 0.792 27471848 16.904 6.470 0.792 24599424 16.913 0.530 0.793 156345424 16.917 4.800 0.792 29804968 16.921 3.862 0.793 32092544 16.923 8.667 0.793 8529466 16.926 9.701 0.793 19863652 16.926 4.905 0.790 12288198 16.931 8.060 0.794 30269256 16.947 6.789 0.793 11345704 17.264 7.027 0.925 14886015 17.264 4.939 0.931 18263740 17.264 4.628 0.934 48178716 17.264 1.822 0.939 65406132 17.264 1.590 0.939 87683024 17.264 1.095 0.939 184496480 17.264 0.771 0.939 308259424 17.264 8.503 0.969 29416682 17.264 6.983 0.967 21027290 17.264 4.746 0.953 34680204 17.264 1.686 0.961 99618400 17.264 0.929 0.961 3586178304 17.277 2.072 0.963 126674712 17.282 7.559 0.964 14176192 17.305 3.771 0.963 101489920 17.308 2.510 0.964 28749500 17.311 7.287 0.965 32234886 17.312 2.358 0.963 47828084 17.314 2.688 0.964 16067667 17.318 1.362 0.961 104799408 17.325 8.695 0.962 36182876 17.337 5.497 0.932 5206557 17.343 2.904 0.955 31592114 17.357 8.479 0.944 45749812 17.365 9.254 0.929 11630979 17.373 8.971 0.931 5653634 17.379 7.742 0.927 7825930 18.163 0.771 0.786 950830016 18.187 5.195 0.787 7234304 18.216 5.509 0.779 5258577 18.231 8.979 0.785 13003094 18.231 1.571 0.785 50951232 18.235 1.801 0.786 56713792 18.239 4.628 0.785 41106540 18.241 8.662 0.787 30289932 18.245 0.451 0.786 118235192 18.253 8.056 0.790 5059391 18.340 9.241 0.789 6542852 18.348 3.856 0.788 8338835 18.349 9.718 0.782 3701337 18.781 4.657 1.155 15125600 18.785 7.589 1.156 7748692 18.794 5.153 1.155 27435282 18.797 2.044 1.154 7976603 18.798 4.800 1.154 30907526 18.798 6.788 1.152 6634696 18.800 5.740 1.155 24205772 18.801 0.560 1.154 43562224 18.802 8.930 1.154 30768808 18.803 1.619 1.154 23613284 18.804 4.212 1.154 46558028 18.807 1.158 1.155 979352640 18.811 6.470 1.154 36055368 18.817 1.863 1.154 11094575 18.817 8.704 1.154 19700470 18.819 0.755 1.155 36527876 18.823 9.441 1.156 5330123 19.037 3.781 1.158 4363886 19.498 1.340 1.332 1958411008 19.499 8.287 1.332 19865580 19.503 7.501 1.331 92108880 19.503 7.978 1.332 56656976 19.505 1.688 1.332 61464840 19.507 4.374 1.332 163606448 19.508 2.154 1.332 45864532 19.511 1.926 1.332 45237904 19.516 4.166 1.330 21286506 20.815 2.091 0.764 98509864 20.820 4.165 0.753 42608284 20.903 4.977 0.755 13318371 20.956 7.040 0.729 7345567 20.956 8.940 0.770 23003144 20.956 8.647 0.770 16988316 20.962 7.758 0.730 22552938 20.972 2.921 0.734 23551918 20.985 4.566 0.746 10365371 21.136 8.434 0.840 31265696 21.147 9.750 0.869 40071452 21.177 5.360 0.863 25495148 21.197 5.723 0.846 7247886 21.206 8.739 0.838 47396728 21.206 4.830 0.849 52918564 21.206 1.743 0.852 76657112 21.326 7.178 0.861 4329883 21.331 1.945 0.871 130651080 21.339 5.571 0.867 11401397 21.346 9.061 0.969 23950184 21.347 4.171 0.965 74824760 21.360 5.335 0.970 19346712 21.376 4.905 0.869 75115080 21.376 4.382 0.872 13088145 21.390 3.400 0.989 11721787 21.396 3.819 0.872 9515973 21.397 8.632 0.985 68022992 21.399 3.788 0.975 33362360 21.402 9.275 0.862 5367881 21.405 8.361 0.974 64693124 21.405 4.585 0.983 124668336 21.430 2.638 0.986 11840710 21.441 2.040 0.992 187717280 21.444 5.506 0.996 18067864 21.448 2.902 1.002 21881830 21.454 8.749 0.870 68180288 21.595 8.954 0.986 12525266 21.623 4.528 0.761 9028377 21.925 4.989 0.754 11240728 21.990 5.156 0.755 7868256 21.999 9.221 0.756 5473003 22.013 1.699 0.671 67045840 22.013 0.666 0.756 384778304 22.013 0.758 0.671 543237312 22.016 7.389 0.756 43525724 22.016 4.350 0.760 7810626 22.016 1.665 0.756 58619752 22.017 5.732 0.670 7253051 22.020 8.839 0.755 28409742 22.024 1.703 0.754 59769328 22.025 9.705 1.368 4824766 22.037 4.071 0.753 39654324 22.039 5.170 0.676 9564258 22.046 1.763 0.891 58037368 22.066 9.016 0.755 17044094 22.087 9.219 0.675 10889164 22.098 1.350 0.756 33186684 22.108 2.025 0.674 27145622 22.110 8.847 0.681 16987072 22.138 8.949 1.369 37123488 22.138 8.056 1.363 41101884 22.138 6.786 1.366 10025484 22.138 5.512 1.363 6941764 22.138 5.219 1.366 10572933 22.138 4.812 1.361 99737184 22.138 3.455 1.361 47091252 22.138 2.899 1.366 23684960 22.138 2.667 1.371 20589544 22.138 1.962 1.361 55184256 22.138 2.457 1.369 18195262 22.142 8.446 0.675 10942271 22.193 8.655 1.363 19453924 22.233 8.432 0.897 13890515 22.300 8.743 0.893 27221700 22.300 4.838 0.893 37769892 22.300 0.846 0.893 1231692160 22.301 1.361 0.674 32227944 22.389 7.397 0.661 6992439 22.405 4.069 0.669 82052336 22.460 1.607 0.667 93929048 22.559 5.305 0.853 11160251 22.616 7.983 0.666 10048054 22.713 6.779 1.388 18888020 22.727 7.588 0.999 3028807 22.757 2.926 1.389 55194864 22.766 8.910 1.388 15783795 22.766 8.021 1.391 25995712 22.766 4.808 1.388 99285744 22.773 8.923 0.843 9277378 22.773 0.863 0.999 318657504 22.773 0.995 0.843 275782656 22.785 5.569 1.389 15636866 22.791 6.546 0.843 5884234 22.794 2.176 1.389 56553576 22.799 5.305 1.390 38050140 22.805 9.076 0.664 7341974 22.805 0.942 0.664 157526512 22.805 1.791 0.664 24436006 22.806 2.185 0.846 16037023 22.813 1.983 0.844 86253176 22.818 4.831 0.844 56297688 22.828 4.650 0.849 21748662 22.829 7.166 1.392 39063900 22.838 8.610 1.002 12257742 22.838 9.437 0.843 43842016 22.840 7.611 1.391 34051788 22.844 8.430 1.388 7194585 22.848 7.787 0.845 7076708 22.851 9.099 0.844 24847542 22.867 6.548 0.999 31828958 22.870 2.221 0.999 72368024 22.873 1.602 1.000 39058100 22.882 3.869 1.000 15062568 22.886 1.980 1.000 122396800 22.888 4.834 0.999 77828208 22.889 9.128 0.999 58376728 22.895 4.641 0.999 43045276 22.900 9.441 0.999 25338206 22.916 7.811 1.000 19401524 22.925 1.584 0.845 54476884 22.958 3.815 0.845 8762363 22.960 5.489 0.842 19753516 22.960 7.964 0.426 19324950 22.970 8.179 0.428 4951846 22.981 0.808 0.427 99083280 22.986 4.834 0.427 52762768 22.987 1.498 0.426 61348324 22.996 4.390 0.427 23995612 22.997 9.713 0.427 3685714 22.999 0.428 0.426 728657024 23.000 1.805 0.426 29569554 23.007 9.390 0.425 13493700 23.013 8.851 0.426 16215291 23.015 3.759 0.427 22111732 23.206 8.980 0.421 10151279 23.206 3.901 0.429 18177670 23.808 6.812 0.719 5753522 23.812 4.751 0.727 102252448 23.812 1.450 0.727 188319216 23.812 1.888 0.724 58618468 23.812 0.824 0.724 1523107072 23.821 8.472 0.859 13716088 23.912 2.688 0.722 53711576 23.921 3.942 0.722 59429464 23.923 7.961 0.723 42338548 23.923 7.548 0.720 8519985 23.930 2.899 0.723 34983696 23.937 0.802 0.861 2100317824 23.939 9.332 0.862 29903296 23.944 5.490 0.861 91931248 23.948 8.353 0.723 23573800 23.950 2.277 0.727 18695194 23.968 5.307 0.863 90850512 23.976 8.566 0.727 24829130 23.983 8.774 0.727 18476448 23.999 1.803 0.863 66057132 24.070 1.108 0.866 80698600 24.116 3.738 0.866 78261200 24.128 9.042 0.865 42652260 24.172 8.990 0.760 8960069 24.198 9.323 0.770 10560307 24.210 0.256 0.770 9768232 24.246 2.013 0.867 80756320 24.273 5.574 0.769 66319476 24.274 7.610 0.769 47291496 24.282 2.017 0.766 92991168 24.282 4.613 0.865 25566636 24.287 1.518 0.868 196287968 24.314 8.586 0.767 17611056 24.314 1.266 0.764 102163824 24.314 1.529 0.764 108043456 24.314 0.539 0.761 283026272 24.314 8.004 0.764 8560438 24.390 8.631 0.871 63141036 24.408 4.172 0.871 98274216 24.516 9.339 0.856 15149998 24.516 5.491 0.853 40682216 24.516 5.315 0.864 46883180 24.516 0.837 0.867 6245716992 24.516 1.529 0.867 189021440 24.615 7.405 1.250 3366223 24.636 7.385 1.162 4323799 24.638 1.625 1.268 135521248 24.638 1.800 1.158 24524520 24.638 1.800 1.259 50966876 24.638 1.170 1.259 197233696 24.638 1.262 1.158 200708064 24.652 4.364 1.157 12600245 24.667 2.917 1.158 33989568 24.669 2.145 1.158 15297011 24.673 2.889 1.263 44143916 24.674 4.344 1.263 25551178 24.674 2.148 1.265 16329482 24.674 1.900 1.160 15699018 24.674 1.906 1.269 33043064 24.692 4.138 1.157 7739922 24.699 8.956 1.154 6274699 24.700 1.627 1.159 58972296 24.737 8.946 1.262 7599058 24.865 7.495 1.415 7704758 24.900 9.067 0.834 31673272 24.900 8.638 0.837 38087732 24.900 0.898 0.847 3725740800 24.900 1.520 0.847 248978944 24.900 4.164 0.850 75525040 24.911 4.146 1.414 41790620 24.920 4.611 1.289 9210539 24.920 1.756 1.289 93755608 24.920 1.314 1.287 358143488 24.924 4.604 1.758 8592820 24.941 8.297 1.421 23386176 24.941 2.973 1.486 49242688 24.941 1.936 1.486 141878000 24.941 1.936 1.413 137004800 24.941 1.699 1.415 210627584 24.941 1.695 1.489 296311808 24.955 7.501 1.486 8839377 24.966 4.145 1.485 45355556 24.970 3.450 1.297 35241088 24.981 1.306 1.756 111641224 24.983 3.443 1.757 49846472 24.988 1.757 1.755 141887008 25.007 8.299 1.481 34327536 25.021 2.976 1.409 55131668 25.035 7.750 1.602 3313228 25.105 2.700 0.818 11032967 25.133 4.926 1.465 22784276 25.134 7.960 0.816 22252220 25.139 3.755 0.821 64644528 25.145 7.732 1.474 4313838 25.164 5.305 0.820 18536526 25.166 2.278 0.818 56287976 25.172 2.957 0.818 42453956 25.192 5.340 1.752 2297705 25.198 4.925 1.600 26095444 25.207 3.045 1.602 18200564 25.214 8.668 1.347 5536172 25.214 8.331 1.600 11338276 25.244 5.232 0.590 33879936 25.246 3.367 0.593 28850132 25.247 4.634 0.816 33505364 25.254 8.236 1.347 8090796 25.254 8.240 1.560 6598448 25.254 1.621 1.560 207653056 25.254 1.625 1.339 120157624 25.254 1.971 1.339 52661968 25.254 1.971 1.558 44452660 25.254 1.345 1.560 110325376 25.254 1.564 1.341 149222256 25.263 4.614 0.597 16344135 25.265 6.789 0.600 14018607 25.276 3.052 1.481 26915426 25.276 1.730 1.604 104435248 25.276 2.028 1.607 30642226 25.276 2.036 1.473 40813312 25.276 1.734 1.473 197010544 25.276 1.480 1.604 104096384 25.276 1.599 1.473 230549248 25.276 9.037 0.854 29227790 25.276 8.647 0.857 30010272 25.276 8.446 0.857 6877380 25.276 5.508 0.854 8771829 25.276 1.691 0.860 115168488 25.276 0.784 0.860 3108264192 25.276 0.583 0.599 4337707520 25.276 1.200 0.599 69455480 25.276 1.599 0.599 116772296 25.285 2.646 0.596 17552128 25.291 8.365 0.590 8096899 25.295 7.771 0.808 17656634 25.297 8.468 0.806 16025933 25.297 9.348 0.798 22347242 25.297 1.804 0.815 159481472 25.297 1.148 0.815 77946760 25.297 0.876 0.815 2691780352 25.297 8.358 0.817 4397885 25.297 1.459 0.823 340424320 25.297 1.896 0.823 185348768 25.297 0.727 0.812 1166740608 25.297 8.631 0.593 28739180 25.300 9.034 0.594 42868184 25.335 4.990 0.857 65023920 25.347 5.191 1.350 17972952 25.353 9.334 0.853 14094691 25.356 8.657 1.561 9973318 25.367 5.190 1.559 16911278 25.377 5.488 0.597 32952574 25.396 3.825 0.593 6338026 25.400 1.542 0.597 137269696 25.400 1.441 0.594 111649000 25.400 1.279 0.597 92110648 25.400 0.771 0.597 541573056 25.451 0.671 0.943 279445856 25.454 9.320 0.595 15284588 25.457 1.958 0.599 27995178 25.460 7.978 0.941 3712226 25.464 1.756 0.941 104099736 25.464 1.604 0.940 185669072 25.468 4.357 0.942 39454660 25.475 8.291 0.946 6911365 25.476 4.076 0.941 37301548 25.487 9.035 0.942 18524548 25.500 9.002 0.775 13806254 25.500 1.279 0.772 110114984 25.500 1.441 0.772 121804104 25.500 1.542 0.772 208433440 25.500 2.943 1.358 36670564 25.500 1.940 1.371 78184992 25.500 1.861 1.371 70303016 25.500 1.704 1.369 84219256 25.500 1.577 1.374 169844160 25.502 2.915 0.943 11124527 25.536 5.723 0.595 8082012 25.584 3.796 1.371 29848420 25.590 8.884 1.372 15830808 25.628 5.467 0.778 56761276 25.674 9.316 0.775 39266144 25.787 5.720 0.522 3731141 25.787 1.170 0.526 24761752 25.868 5.571 0.522 9375464 25.880 1.261 0.525 37844516 25.883 8.590 0.518 4995274 25.883 0.771 0.526 256326160 25.900 7.609 0.518 6119518 25.913 1.534 0.526 48121500 25.991 2.021 0.524 54332224 26.017 0.525 2.030 49045324 26.072 7.613 2.031 5782508 26.145 1.533 2.030 12085014 26.169 2.026 2.031 90871992 26.189 0.761 2.032 35037668 26.250 1.260 2.030 8554466 26.256 5.585 2.020 5182598 26.259 9.348 0.770 11418996 26.259 9.028 0.770 6937162 26.259 8.643 0.772 4179710 26.259 5.491 0.770 9462475 26.259 5.009 0.770 6508956 26.259 4.624 0.778 8967966 26.259 1.691 0.767 66328076 26.259 1.345 0.770 46031924 26.259 1.835 0.770 37377668 26.259 0.850 0.770 493305024 26.280 5.495 1.683 6453161 26.280 1.340 1.683 13179049 26.280 1.699 1.683 148892672 26.280 0.859 1.683 50599924 26.306 9.384 1.493 8778234 26.328 0.436 1.494 44675588 26.343 1.012 0.440 20175230 26.378 9.344 1.680 5833244 26.383 0.783 0.442 78444920 26.404 8.857 0.435 4936652 26.437 4.643 0.440 10585167 26.444 9.382 0.439 10782765 26.447 4.825 1.507 10124080 26.447 4.619 1.510 8715963 26.447 1.003 1.491 20274328 26.447 1.800 1.504 30370810 26.447 3.741 1.510 7847368 26.468 9.258 0.437 6921056 26.473 1.512 0.439 40429796 26.478 4.852 0.439 19440602 26.483 1.809 0.440 33915432 26.486 0.437 0.440 486194528 26.487 5.183 0.440 17234672 26.487 4.953 0.439 13749477 26.493 7.737 0.438 7951026 26.499 8.240 0.439 12993106 26.508 8.981 0.442 5440969 26.511 8.980 1.672 4026993 26.511 0.767 1.672 72470864 26.511 0.771 1.563 56256728 26.511 1.826 1.563 18668584 26.511 1.822 1.672 20252864 26.511 4.611 1.670 3994178 26.511 4.624 1.560 5889464 26.511 8.651 1.547 6548520 26.511 8.984 1.552 4456926 26.525 3.842 0.441 4166692 26.536 1.792 0.570 23605258 26.543 1.578 0.570 61805120 26.561 3.906 0.428 3493358 26.575 1.183 0.571 41346864 26.601 9.429 0.574 9664530 26.606 1.464 0.571 52420132 26.620 9.026 0.573 14461147 26.630 8.644 0.573 6238298 26.636 6.782 0.572 4192548 26.667 4.627 0.573 7962729 26.748 3.369 0.582 4606513 26.762 9.339 0.574 7561156 26.762 5.495 0.568 4829664 26.762 5.315 0.568 8928159 26.762 5.232 0.568 11912530 26.762 0.605 0.571 984515008 26.779 6.790 1.669 10410513 26.782 4.167 1.514 23110808 26.786 9.065 1.516 17735238 26.842 3.384 1.663 4948140 26.872 2.642 1.671 6020700 26.886 5.498 1.673 8582832 26.900 0.618 0.941 196902256 26.900 1.673 0.938 84999312 26.920 8.654 1.665 5126918 26.962 0.838 1.509 318152320 27.005 2.647 0.936 6472775 27.039 1.271 0.934 46339964 27.040 5.511 0.934 42511480 27.051 4.624 0.934 43734864 27.054 8.650 0.935 32379112 27.058 4.073 1.597 15135841 27.071 8.971 0.933 10517116 27.086 3.746 1.501 20387348 27.108 8.483 1.500 8650797 27.123 9.076 1.600 9063722 27.123 8.284 1.603 3462928 27.123 1.603 1.603 337678176 27.123 1.783 1.603 61164488 27.123 0.942 1.603 73780248 27.123 0.671 1.600 58951832 27.162 1.532 1.521 883122496 27.200 7.968 1.452 35669644 27.200 1.888 1.458 81709176 27.200 1.450 1.458 577464640 27.200 0.736 1.452 172714288 27.200 0.824 1.458 205849232 27.201 8.621 1.518 14108154 27.201 9.072 1.515 11814738 27.201 1.625 1.521 249865792 27.213 8.774 1.516 8429777 27.214 8.773 1.280 4654496 27.219 4.398 1.463 7088536 27.223 3.744 1.283 5156198 27.242 3.931 1.510 23624908 27.246 7.747 1.511 19718770 27.256 7.744 1.287 5938161 27.259 4.754 1.458 32610494 27.263 9.321 1.508 8961348 27.263 5.495 1.512 22593288 27.263 1.796 1.510 79908888 27.263 1.402 1.510 105927360 27.263 0.876 1.507 166650368 27.263 0.815 1.504 268758432 27.269 7.961 1.285 13391405 27.276 3.944 1.280 13736557 27.284 7.959 1.505 37875956 27.292 1.514 1.286 119793248 27.300 1.689 1.290 37108816 27.305 1.291 1.285 152829968 27.305 3.070 1.511 37583516 27.305 3.070 1.281 27138332 27.305 3.148 1.281 30297654 27.305 3.148 1.511 44798884 27.329 1.292 1.517 112093696 27.400 1.949 1.452 48134532 27.400 8.773 1.452 2665434 27.400 2.244 1.459 11679105 27.461 8.352 1.453 11665459 27.470 2.668 1.443 8689686 27.493 1.594 1.441 142545920 27.493 1.192 1.441 9814703 27.493 0.601 1.449 66281312 27.500 9.352 1.451 3283568 27.500 3.871 1.443 11548765 27.500 1.721 1.445 64808052 27.500 0.798 1.445 161050016 27.500 0.535 1.445 74288640 27.534 9.315 1.539 22322064 27.573 9.010 1.541 8016202 27.573 5.464 1.541 33586800 27.573 1.437 1.541 141416240 27.573 1.270 1.538 76334008 27.573 0.596 1.541 87243416 27.573 0.793 1.541 188617744 27.698 5.227 1.439 12617530 27.924 4.322 2.082 3969895 27.934 4.645 1.977 6772951 27.950 2.387 1.968 17835132 27.993 2.389 2.070 21318218 27.996 4.636 2.068 8650588 28.016 1.966 2.066 89238056 28.016 2.067 1.971 43997512 28.016 3.556 1.965 17835118 28.016 3.556 2.072 24650804 28.016 3.643 2.072 17659266 28.016 3.648 1.965 13867970 28.016 4.330 1.968 3775625 28.017 1.105 1.111 19023722 28.043 9.229 1.809 2216740 28.053 8.477 1.098 3285254 28.070 0.439 1.109 6584785 28.089 1.812 1.826 26206002 28.092 7.057 1.099 3698361 28.112 0.780 1.103 22605188 28.121 0.959 1.106 14197146 28.121 0.959 1.828 16754059 28.121 1.586 1.828 11585295 28.121 1.586 1.109 9805110 28.133 0.436 1.830 10548128 28.135 0.788 1.832 27045538 28.145 1.820 1.102 16950048 28.166 1.100 1.828 20726298 28.175 4.631 1.104 5643408 28.185 4.628 1.835 6374342 28.188 6.963 2.341 2319283 28.232 7.032 1.818 4507585 28.276 0.973 2.335 3555842 28.301 8.490 1.601 9992338 28.309 4.707 1.601 17154350 28.309 2.509 1.604 24609166 28.309 7.574 1.596 2802404 28.309 7.286 1.596 2575256 28.336 4.708 2.346 23300096 28.344 2.350 2.345 75393656 28.348 2.502 2.346 28736308 28.358 8.493 2.348 8312952 28.379 1.318 2.350 5166169 28.381 1.616 2.345 34838872 28.458 2.345 1.605 59981072 28.473 7.289 2.351 4015254 28.484 8.483 1.673 8586007 28.513 7.563 2.345 3245889 28.539 3.770 1.683 29958472 28.539 2.071 1.686 64899720 28.539 1.353 1.670 165858320 28.540 5.739 1.362 6509872 28.550 0.936 1.672 100151528 28.554 1.363 1.355 177508048 28.571 2.072 1.357 21715814 28.577 0.939 1.355 82459040 28.587 8.705 1.355 24253646 28.594 3.767 1.355 23476890 28.597 8.708 1.674 42170736 28.614 5.738 1.679 12315126 28.641 8.485 1.357 5244136 28.695 1.672 1.359 106804656 28.728 5.134 1.350 3333624 28.749 3.774 1.682 30834992 28.802 5.158 1.686 9083657 28.854 7.510 1.698 11122728 28.855 4.144 1.694 49234728 28.937 8.288 1.692 18412332 28.937 2.991 1.692 203349200 28.937 1.428 1.694 312319296 28.937 1.494 1.694 330696480 28.947 2.916 1.623 141715424 28.947 1.174 1.612 19852970 28.947 1.275 1.612 42911612 28.947 1.625 1.615 2161885440 28.947 1.796 1.612 158077984 28.947 4.370 1.623 15040172 28.947 8.918 1.604 5019968 29.137 8.322 1.741 17604370 29.160 3.034 1.740 166367840 29.167 8.897 1.741 6039362 29.167 2.041 1.738 92553248 29.167 1.660 1.735 1542265728 29.167 1.599 1.733 298218368 29.167 1.480 1.733 176498768 29.167 8.664 1.610 16396431 29.174 4.924 1.743 40577556 29.198 4.123 1.607 18465526 29.272 2.899 1.610 242514320 29.272 1.358 1.607 189366448 29.272 1.568 1.607 2617349632 29.292 3.792 1.591 24308094 29.295 5.191 1.605 26246114 29.321 5.517 1.602 5037048 29.379 0.809 1.576 41740440 29.500 8.879 1.582 9390914 29.500 8.883 1.708 6958350 29.500 3.788 1.697 21699496 29.500 2.960 1.590 173567216 29.500 2.969 1.697 160319536 29.500 1.367 1.697 95084120 29.500 1.358 1.582 186614544 29.614 0.809 1.703 18675502 29.634 7.768 1.896 13955165 29.654 7.778 1.991 12485226 29.669 8.647 1.894 20414018 29.669 4.133 1.900 19828706 29.669 4.133 1.990 22057848 29.669 2.155 1.902 38303228 29.669 2.325 1.900 18164012 29.669 2.330 1.987 23973150 29.669 2.159 1.990 26273528 29.669 1.901 1.990 129511104 29.669 1.975 1.902 97936632 29.682 1.135 1.986 12509836 29.730 8.640 1.989 15093038 29.731 0.824 1.981 22771592 29.800 3.801 1.946 7682432 29.800 3.796 1.875 6970134 29.800 8.879 1.878 6020376 29.800 8.879 1.941 4870530 29.800 1.879 1.941 158512912 29.800 1.949 1.880 167744640 29.800 1.371 1.878 20730550 29.800 1.371 1.935 21386664 29.919 0.822 1.897 31744204 29.992 3.797 1.896 9908734 30.186 1.171 1.898 17539980 30.362 8.620 1.877 69445720 30.382 4.290 1.882 56021776 30.383 0.984 1.897 21315436 30.397 4.801 1.900 8081156 30.444 3.796 2.153 4475115 30.475 1.896 2.152 86199696 30.481 4.636 1.903 15757233 30.482 7.387 2.154 12842617 30.490 1.650 2.149 23154584 30.494 1.160 2.152 11986359 30.504 4.650 2.155 15737396 30.534 9.036 2.149 16448291 30.545 1.690 1.686 140582016 30.549 2.212 1.878 123630704 30.610 9.032 1.900 17368046 30.610 8.940 1.900 11539031 30.610 8.945 2.149 12242943 30.610 2.233 2.151 97106632 30.610 2.238 1.902 130560696 30.610 2.163 1.905 144058448 30.610 2.155 2.151 125145872 30.610 1.905 1.908 751415232 30.610 1.647 1.905 56130872 30.638 2.154 2.562 57736700 30.668 7.393 1.907 9903828 30.678 4.244 1.506 2843377 30.699 8.145 1.500 5963352 30.710 8.770 1.683 7752623 30.714 0.735 1.496 8140408 30.736 3.070 1.686 18554100 30.736 3.070 1.506 23841122 30.736 3.148 1.503 23551220 30.736 3.148 1.686 22045906 30.740 1.515 1.505 170698688 30.741 7.957 1.505 29561064 30.748 3.942 1.505 21488934 30.750 4.744 1.508 5053084 30.750 7.746 1.507 11805618 30.753 1.683 1.506 96249600 30.759 1.290 1.504 37724660 30.760 3.945 1.686 19523442 30.766 8.778 1.503 10932283 30.770 7.958 1.686 45269832 30.776 1.518 1.686 120962400 30.777 8.164 1.692 5391894 30.782 4.105 2.556 7212780 30.792 8.782 2.559 7459128 30.796 7.744 1.687 19256156 30.800 2.075 2.564 38051416 30.832 1.292 1.687 23085190 30.844 4.723 1.685 5488658 30.905 8.568 1.686 3187134 30.946 0.760 2.098 87673416 30.995 4.157 2.097 10145214 30.999 0.757 1.687 9120563 31.157 2.098 2.097 132253520 31.174 4.370 1.941 5660492 31.174 1.428 1.935 88431088 31.174 1.511 1.935 80263240 31.174 1.699 1.935 85208080 31.419 7.501 1.936 34204404 31.438 8.288 1.936 71319992 31.480 7.972 1.933 7594557 31.517 2.969 1.931 6490648 31.536 5.179 2.010 11417303 31.600 7.741 1.686 7064012 31.600 5.184 1.681 13461023 31.682 9.244 1.684 4363938 31.718 2.010 1.686 51539328 31.718 2.015 2.012 73752928 31.718 1.682 2.012 36797644 31.718 1.673 1.683 72501104 31.718 1.822 1.683 33944864 31.718 1.818 2.012 27882376 31.732 9.248 2.012 2366250 31.745 2.154 1.720 70670800 31.746 7.962 2.153 14054926 31.748 5.251 2.153 10539166 31.749 8.440 2.153 7835049 31.777 2.554 2.141 44993796 31.800 7.212 2.145 3781545 31.814 8.434 1.721 8864709 31.971 7.960 1.719 19341222 31.971 5.259 1.730 12451846 31.971 2.155 2.143 249341600 31.971 2.255 2.143 26065762 31.971 2.260 1.719 25109148 31.971 1.721 2.151 46656292 31.971 1.367 1.719 25353674 31.971 1.367 2.151 19170650 31.971 0.898 1.722 7187076 32.277 0.731 1.690 21478334 32.326 9.247 1.711 2312313 32.326 4.059 1.713 4034563 32.326 1.717 1.711 31649974 32.392 9.379 1.932 3865716 32.460 3.592 2.390 9692475 32.483 4.834 1.962 7472054 32.505 3.793 2.390 13751156 32.507 9.391 2.395 7464745 32.529 8.876 2.396 5504326 32.546 1.944 2.390 84948448 32.546 3.587 1.932 8472692 32.556 8.879 1.932 4559952 32.556 4.624 2.389 27662548 32.556 4.624 1.946 14909118 32.556 3.814 1.946 10239157 32.556 2.400 1.938 39665948 32.606 9.755 1.978 4510088 32.700 8.743 1.976 7886050 32.714 4.103 2.136 44515868 32.719 8.780 2.134 21593178 32.771 5.353 1.959 6824210 32.773 2.321 1.968 26246284 32.773 2.089 1.968 90874000 32.846 4.705 2.368 37153388 32.872 1.614 2.367 40436604 32.887 2.504 2.511 183578832 32.890 4.900 2.367 15285388 32.894 0.958 2.365 28197826 32.895 6.973 2.367 8664071 32.897 2.502 2.366 147725456 32.910 7.582 2.356 3810144 32.911 2.362 2.367 270996384 32.914 1.613 2.512 31484874 32.918 2.361 2.513 170644544 32.926 0.958 2.513 19912542 32.932 8.495 2.364 17872272 32.937 7.288 2.514 16011981 32.945 7.286 2.366 25108030 32.946 4.727 2.513 23213904 32.947 8.493 2.514 12270892 32.974 6.970 2.510 4770486 32.983 7.571 2.518 2249627 33.152 3.444 1.880 10112053 33.159 6.799 1.540 4743690 33.172 4.614 1.883 15561881 33.204 9.080 1.880 10102715 33.204 1.765 1.525 36265444 33.204 1.774 1.878 90669168 33.209 4.614 1.526 19033732 33.218 9.080 1.523 10458714 33.219 3.452 1.527 12793670 33.224 5.345 1.533 7021232 33.225 3.872 1.535 5756060 33.241 5.351 1.875 7130381 33.264 1.310 1.526 27481744 33.292 1.316 1.882 32226084 33.444 7.961 2.158 8475792 33.456 1.385 2.151 46542492 33.480 5.584 1.967 5343438 33.496 6.787 2.169 8324838 33.500 7.165 1.973 6684132 33.504 5.260 2.161 16775722 33.518 1.734 2.149 48742300 33.518 2.150 2.258 270693440 33.518 2.150 2.149 850007552 33.518 2.260 2.149 226263120 33.521 7.199 2.160 23045076 33.533 8.435 2.160 16383274 33.534 8.166 1.974 5635500 33.535 8.752 1.880 8851315 33.537 5.257 2.259 22935824 33.546 7.161 1.876 9107302 33.547 6.786 2.263 12756920 33.559 7.197 2.259 35631608 33.560 5.590 1.873 8371453 33.565 8.436 2.258 19603494 33.573 7.967 2.258 15659586 33.575 1.378 2.259 52466292 33.615 1.726 2.260 51281960 33.635 8.163 1.870 5905330 33.644 4.825 1.990 18418640 33.660 7.153 1.744 9882021 33.665 4.904 1.615 11353594 33.665 4.904 1.875 9008001 33.665 8.752 1.757 5891007 33.665 8.752 1.976 10364682 33.665 1.866 1.971 149785024 33.665 1.748 1.968 74514664 33.665 1.625 1.971 72687328 33.665 1.625 1.869 56517880 33.665 1.752 1.867 78981344 33.665 1.971 1.869 161163024 33.665 1.971 1.752 38075636 33.665 1.870 1.749 39242452 33.665 1.629 1.749 48657192 33.665 1.629 1.620 178146976 33.665 1.752 1.620 71420592 33.665 1.870 1.623 39730276 33.665 1.975 1.623 59623528 33.706 4.939 1.667 16405561 33.706 4.935 2.034 12388656 33.706 2.050 1.675 29775764 33.706 1.660 2.047 35994224 33.706 1.476 2.050 20044028 33.706 1.476 1.664 26335866 33.706 1.629 1.670 95522784 33.706 0.823 1.915 33783720 33.711 9.124 1.989 17508448 33.714 0.992 1.989 46247440 33.715 0.845 1.987 65485416 33.739 5.596 1.617 10552354 33.752 5.589 1.751 8822535 33.776 8.328 1.653 10814599 33.777 7.161 1.614 13356093 33.787 8.173 1.622 5882984 33.816 7.743 1.645 5309206 33.818 8.149 1.755 4611773 33.826 3.052 1.642 7298806 33.841 9.439 1.988 3143906 33.852 8.332 2.008 8074758 33.873 8.870 2.094 14543179 33.873 8.975 2.094 8620175 33.873 8.984 1.908 8716423 33.873 8.875 1.902 9824369 33.873 1.892 2.091 125794600 33.873 2.089 1.908 81622448 33.873 2.290 1.897 42942728 33.873 2.290 2.088 121953504 33.936 8.993 2.143 4579252 33.936 2.137 2.329 316469472 33.936 1.984 2.326 106982608 33.936 1.901 2.324 93017160 33.936 1.905 2.129 136939872 33.936 1.988 2.129 142389680 33.936 2.321 2.138 267393856 33.946 1.805 1.798 62008580 33.951 0.814 2.133 47558392 33.965 8.636 2.136 12177994 33.972 1.172 2.327 17259816 33.985 7.759 2.019 3989790 34.013 7.803 2.329 33104256 34.036 8.742 1.612 19043446 34.037 4.125 2.329 38644276 34.042 0.822 2.328 36615904 34.044 6.551 2.328 11531883 34.047 1.153 2.135 17926498 34.048 7.796 2.136 35385288 34.051 8.633 2.330 12436782 34.056 6.548 2.136 12395857 34.073 4.126 2.135 26700152 34.113 4.308 1.610 20174458 34.118 3.956 1.799 2658271 34.200 1.460 1.931 14750770 34.210 4.231 1.793 6782482 34.220 8.778 1.797 9780304 34.221 8.005 1.804 6276440 34.224 4.241 1.937 7046209 34.237 8.010 1.943 7186424 34.255 0.526 1.801 11752788 34.293 0.779 1.793 11461779 34.412 0.533 1.947 11462876 34.419 2.242 1.798 21313842 34.419 2.242 1.949 24470758 34.529 8.757 1.947 8659375 34.875 6.144 2.242 8389448 34.880 5.360 2.315 11708388 34.892 8.008 2.240 8926218 34.895 7.164 2.312 5209236 34.900 8.770 2.239 11276678 34.900 1.796 2.242 103807672 34.900 1.940 2.242 136631088 34.906 7.164 2.087 5598594 34.933 3.844 2.313 11299450 34.941 5.364 2.091 11050977 34.941 9.748 2.088 7632434 34.963 4.901 1.946 8230584 35.000 8.735 2.313 6839050 35.000 8.743 2.091 5453911 35.000 9.742 2.313 7676442 35.000 3.840 2.091 10311692 35.000 2.321 2.094 69933136 35.000 2.093 2.315 118144832 35.000 2.093 2.094 113772312 35.000 1.984 2.091 73576040 35.000 1.984 2.315 71494824 35.000 4.223 2.244 18057914 35.000 1.460 2.233 31989758 35.003 9.749 1.950 12153107 35.052 0.864 1.953 72956144 35.066 1.892 2.222 310144256 35.066 0.995 2.222 64828576 35.066 0.154 2.225 5868720 35.116 10.459 2.190 3239265 35.125 8.743 1.949 5759849 35.125 0.579 1.954 11313513 35.164 0.527 2.231 23075784 35.186 4.282 2.221 55452680 35.224 8.619 2.218 57308836 35.332 7.751 1.820 3056431 35.370 8.979 1.817 2099893 35.380 3.792 2.042 21705582 35.413 9.245 2.017 3974603 35.414 0.831 2.242 69213064 35.447 0.603 2.055 8160277 35.463 8.636 2.044 22114134 35.470 5.182 1.821 10987794 35.492 0.985 2.046 165198544 35.500 1.686 1.823 25474342 35.500 1.686 2.014 27475716 35.500 2.006 2.014 155784720 35.500 2.010 1.826 51968352 35.513 4.588 2.047 20676446 35.524 8.371 2.050 8467345 35.533 5.190 2.018 11000684 35.541 9.242 1.824 4774665 35.547 4.834 2.291 67857872 35.547 8.870 2.291 24456008 35.547 8.971 2.291 23939244 35.547 9.707 2.291 5626334 35.547 1.909 2.291 172866160 35.547 2.071 2.294 233503792 35.568 9.028 2.211 20529538 35.568 8.936 2.217 20607940 35.568 2.159 2.233 2188876544 35.568 1.914 2.233 245100352 35.664 4.651 2.238 29708218 35.713 7.391 2.237 7042674 35.743 7.807 2.220 13871062 35.972 8.744 1.763 13671640 35.984 6.543 2.237 5380278 35.996 8.435 1.764 17976912 35.999 0.852 1.763 125365520 35.999 4.839 1.762 33396072 36.280 8.235 1.622 6749134 36.284 1.959 1.966 71876656 36.299 8.055 1.620 5589694 36.318 9.682 1.955 2795010 36.326 5.195 1.967 15639662 36.328 8.231 1.964 9927000 36.331 5.189 1.626 15013384 36.340 1.365 1.964 36376164 36.352 8.054 1.974 3173413 36.358 8.661 1.624 14181016 36.360 1.618 1.965 78996504 36.363 2.903 1.626 13401830 36.363 1.568 1.965 68811832 36.363 1.568 1.623 116701936 36.363 1.362 1.623 47270392 36.390 2.905 1.966 8433691 36.406 8.661 1.962 10101578 36.425 4.630 1.621 4547917 36.447 0.766 1.642 14341993 36.481 0.926 1.640 8102359 36.548 2.914 1.642 16882944 36.585 7.391 1.647 13641586 36.601 2.155 1.647 26420756 36.612 4.364 1.788 20521430 36.616 1.178 1.648 24697710 36.618 4.366 1.647 18004132 36.629 2.155 1.787 21718792 36.646 8.953 1.789 8928266 36.660 3.762 1.786 2956950 36.687 8.954 1.648 7899636 36.687 1.161 1.787 23305912 36.687 1.266 1.787 27997104 36.687 1.275 1.648 21207084 36.687 0.767 1.787 24666054 36.687 0.929 1.785 13839803 36.687 1.791 1.651 114129664 36.687 1.656 1.787 128417232 36.690 2.915 1.792 13515386 36.693 7.389 1.790 11926353 38.108 2.516 2.066 3435345 38.130 2.359 2.070 7648949 38.170 1.673 2.074 21100112 38.172 8.704 2.074 20090818 38.176 0.950 2.074 86655200 38.179 2.070 2.074 115011928 38.180 3.771 2.074 15612690 38.194 2.328 2.903 4445942 38.197 8.490 2.073 14087825 38.203 1.367 2.076 17895398 38.257 1.673 2.894 5319870 38.265 7.572 2.078 2666550 38.307 2.690 2.890 340134560 38.308 0.937 2.891 50113996 38.311 0.727 2.891 29526504 38.313 7.546 2.891 32369724 38.317 6.814 2.693 16844482 38.319 6.813 2.890 10461086 38.324 0.726 2.690 33356124 38.326 4.718 2.890 68347320 38.330 0.938 2.688 21715856 38.332 7.965 2.687 7138719 38.333 8.569 2.890 25533672 38.334 1.456 2.892 5640439 38.339 8.570 2.690 38764228 38.342 7.547 2.691 44870796 38.356 4.714 2.691 41432060 38.356 1.483 2.687 3995829 38.360 2.885 2.691 242223504 38.371 7.959 2.893 7066058 38.427 1.885 2.896 2858907 38.537 1.880 2.686 2309163 38.559 9.711 1.743 2694852 38.717 1.748 1.748 34995756 38.740 0.793 1.739 40939408 38.745 0.526 1.738 33973040 38.748 3.865 1.738 6436916 38.759 1.485 1.741 12773368 38.762 8.348 1.735 15884100 39.493 4.748 1.889 9347316 39.527 4.749 1.441 14840854 39.543 2.277 1.884 5832392 39.555 0.796 1.441 31569344 39.556 1.456 1.441 81150160 39.558 7.963 1.887 10527125 39.563 1.454 1.885 46894156 39.564 1.883 1.441 41438072 39.573 1.878 1.879 35773760 39.575 2.094 1.891 6360695 39.577 7.964 1.441 11837788 39.587 8.352 1.434 5499986 39.606 8.349 1.885 2719573 39.606 8.980 1.882 5330954 39.606 2.093 1.447 7235948 39.606 0.798 1.885 24593176 39.606 0.714 1.439 20380170 39.606 0.714 1.887 14191143 39.612 3.928 1.461 3045636 39.622 2.282 1.445 7124177 39.638 8.977 1.427 5526342 40.012 8.664 1.807 3700226 40.030 0.455 1.807 7384272 40.044 0.768 1.808 47855984 40.048 8.986 1.805 7036922 40.107 1.804 1.808 30520662 40.108 5.315 1.823 2710765 40.108 4.637 1.820 4965070 40.108 1.577 1.809 21761904 40.112 9.236 1.809 4340320 40.771 9.023 3.035 3180064 40.845 5.579 2.928 2878801 40.854 0.674 1.769 15388162 40.865 0.942 1.594 34366280 40.865 0.679 1.592 22980836 40.865 1.594 1.589 62262788 40.866 8.292 1.781 3885716 40.879 8.014 3.011 6840730 40.883 1.767 1.772 37381084 40.886 0.941 1.770 28853660 40.903 1.597 1.769 48557580 40.929 4.070 1.767 11074958 40.941 5.357 3.023 9967730 40.945 7.155 3.015 12581480 40.952 5.357 2.915 12204358 40.960 9.065 1.771 7228892 40.965 8.282 1.592 4732952 40.974 9.063 1.597 6410204 40.974 8.005 2.917 8559451 40.979 4.069 1.591 14359661 41.007 3.013 2.920 57202424 41.007 2.916 3.030 48739420 41.007 9.028 2.915 2463326 41.023 5.580 3.016 2476272 41.039 7.150 2.920 15198223 41.053 1.769 1.590 39931612 41.111 8.776 2.652 26234014 41.113 8.569 2.654 22923298 41.138 2.766 2.650 477062336 41.140 4.627 2.653 59421844 41.149 2.661 2.777 505903648 41.149 8.569 2.780 17775814 41.172 8.777 2.780 26334238 41.177 4.627 2.778 54029504 41.224 7.967 2.785 7508573 41.280 2.143 2.657 8814595 41.292 0.760 2.666 6935186 41.299 2.662 2.471 53578408 41.299 2.470 2.668 70184328 41.299 1.349 2.469 9288473 41.299 1.349 2.671 9214791 41.353 4.095 2.784 5974710 41.392 9.706 2.669 6868331 41.395 3.910 2.483 7858838 41.395 8.055 2.672 5049006 41.400 3.917 2.670 5368011 41.419 4.902 2.671 24472228 41.420 8.059 2.484 7269085 41.426 0.760 2.789 9079458 41.430 9.702 2.488 9368787 41.441 4.895 2.483 20208344 41.444 0.929 1.585 43990748 41.576 0.793 2.469 4211249 41.614 1.835 1.582 28209512 41.614 1.108 1.582 6407115 41.630 9.223 1.577 8629213 41.637 0.448 1.580 7825259 41.655 0.771 1.582 46507896 41.666 1.625 2.906 343628512 41.700 4.886 2.904 34350324 41.700 8.888 2.901 9105392 41.730 8.494 1.583 3009709 41.768 1.620 2.473 8369546 41.794 4.632 1.589 7575814 41.800 7.029 2.926 9795059 41.906 8.651 2.900 11256004 41.909 0.808 2.916 45916532 41.912 5.183 2.896 18138322 41.922 5.174 1.587 3442619 41.939 3.938 3.048 5885604 41.943 1.958 2.903 72255856 41.944 6.686 2.911 14330798 41.955 1.614 2.905 417052960 41.985 7.583 3.043 15636473 41.990 3.759 2.909 19010118 41.991 1.182 2.915 100380464 41.995 4.131 2.913 30643488 41.998 2.037 3.044 45311948 41.998 2.298 3.043 38927824 42.005 8.327 3.042 9726541 42.019 7.752 2.908 4491808 42.027 7.528 2.977 22491764 42.032 4.939 3.043 24746262 42.032 1.599 3.046 80725384 42.032 1.480 3.046 70696040 42.032 1.656 3.046 130116176 42.036 8.888 3.048 5471896 42.047 6.626 2.978 11365967 42.059 3.477 3.054 12088007 42.179 3.787 2.959 18780956 42.242 0.810 2.957 58556532 42.289 8.888 2.956 8505362 42.297 1.699 2.950 152324672 42.297 1.586 2.956 151363760 42.297 1.367 2.953 126636872 42.526 1.607 1.609 181245712 42.553 4.619 1.609 8001024 42.578 5.337 1.609 4136177 42.620 1.803 1.801 10707268 42.623 4.828 0.987 5242222 42.637 1.985 1.609 30106166 42.651 0.848 1.608 103158648 42.663 1.513 0.999 5160279 42.663 1.594 1.417 74807600 42.663 4.823 1.791 4725310 42.664 1.445 1.608 95588816 42.665 4.171 1.607 26084134 42.667 8.628 1.607 19676460 42.671 1.434 1.417 102098536 42.679 9.077 1.609 26364542 42.681 2.211 1.609 8202192 42.688 0.852 1.417 78408288 42.689 8.631 1.421 10165345 42.690 4.173 1.416 20555270 42.693 2.195 1.405 4397530 42.694 9.077 1.418 21865846 42.708 0.802 0.991 11777919 42.713 1.804 0.994 9400722 42.713 0.789 1.804 9772466 42.716 1.986 1.416 17359240 42.725 0.435 0.995 20346300 42.734 5.339 1.416 5141719 42.742 4.803 1.608 4807841 42.744 0.434 1.805 17316350 42.752 0.984 1.805 11051820 42.754 4.620 1.418 5660434 42.755 0.990 0.995 10930607 42.764 4.637 0.982 3498098 42.764 1.511 1.805 5820955 42.793 9.387 1.802 6118852 42.793 9.398 0.985 3822939 42.794 4.632 1.794 4526177 42.875 8.848 1.789 3425836 43.231 0.956 2.640 2156518 43.273 2.647 3.361 6292980 43.307 6.790 2.645 4768062 43.311 1.669 2.650 6136090 43.312 5.351 3.378 3448732 43.344 1.468 3.348 3271147 43.348 3.365 2.642 5339060 43.349 0.601 2.643 7133792 43.351 1.290 2.640 4108992 43.356 0.605 3.364 11869243 43.366 5.231 3.371 2971709 43.367 8.772 3.067 4226035 43.378 4.379 3.069 4558957 43.379 3.366 3.361 7810179 43.392 3.065 3.136 590804288 43.392 3.140 3.071 668308160 43.393 6.787 3.350 4347890 43.405 6.811 3.068 43350740 43.410 7.147 3.067 14236643 43.411 1.290 3.069 63847884 43.413 7.959 3.068 13994313 43.416 3.744 3.070 8938442 43.418 3.935 3.069 10270855 43.421 7.741 3.069 44190308 43.425 1.521 3.069 92799608 43.430 1.894 3.068 14432998 43.433 3.744 3.138 8780398 43.436 0.744 3.138 9054761 43.438 8.376 3.366 3630187 43.443 1.291 3.138 67322728 43.443 7.959 3.138 13148274 43.446 1.675 3.070 44906332 43.448 1.521 3.138 93120392 43.449 1.673 3.137 45945344 43.452 0.750 3.067 7527800 43.453 7.147 3.138 11402726 43.454 6.812 3.137 39959420 43.458 7.742 3.138 47103676 43.459 3.945 3.136 9768735 43.464 4.364 3.135 2753942 43.475 1.876 3.136 15123817 43.493 8.153 3.072 4539993 43.503 1.679 3.341 5327764 43.523 8.176 3.145 2265559 43.536 8.787 3.133 3881938 43.597 8.362 2.648 4420646 43.644 1.670 2.771 5658425 43.695 1.975 2.761 7254052 43.713 7.729 2.757 20566228 43.718 4.304 2.758 19491966 43.734 2.760 2.759 215009408 43.747 3.551 2.756 16132287 43.747 3.630 2.756 14399617 43.772 8.334 2.761 6708286 43.966 9.347 1.121 3217547 43.997 7.749 1.788 6380211 44.000 1.973 1.143 4805806 44.013 5.491 1.137 5133620 44.039 3.774 4.504 39285868 44.039 1.945 4.507 2643283 44.042 8.471 1.792 5387850 44.058 1.138 1.788 14307520 44.061 9.352 1.807 4025049 44.061 1.787 1.144 10853720 44.061 1.787 1.790 13065700 44.061 1.148 1.142 18857582 44.061 0.824 1.790 30082924 44.061 1.511 1.144 8155284 44.061 1.529 1.790 6192979 44.071 0.832 1.138 28758728 44.145 5.479 1.801 4654572 44.181 7.181 3.767 5229235 44.235 7.380 3.765 5104616 44.265 4.825 3.768 3618617 44.271 8.840 4.506 6719719 44.272 4.853 1.584 2969104 44.277 8.342 4.501 10494113 44.277 8.847 3.768 13296526 44.279 1.942 3.782 3313354 44.283 8.489 1.154 3504608 44.286 8.346 3.767 14060073 44.307 9.062 1.606 3381740 44.312 0.776 1.586 14169260 44.312 0.784 1.187 16406402 44.315 0.784 3.768 5943414 44.321 4.809 1.164 3167190 44.324 7.188 4.505 3928514 44.324 1.178 1.185 21819348 44.333 9.444 1.191 4829014 44.334 7.396 4.499 4345903 44.344 9.442 1.595 6970668 44.347 4.494 3.775 45726468 44.350 1.600 1.590 15297153 44.359 1.595 1.186 13202006 44.367 4.986 1.349 6718814 44.367 5.212 1.583 5647208 44.377 6.785 1.178 3635394 44.393 5.212 1.181 4985608 44.395 1.451 1.584 12087564 44.395 1.453 1.186 9756952 44.398 1.831 1.837 18366566 44.401 4.827 4.503 4364446 44.402 0.578 1.585 21877938 44.406 1.185 1.588 20541436 44.411 0.582 1.188 19627654 44.450 0.584 1.334 10432967 44.453 4.991 1.842 5029992 44.457 0.577 1.850 8318426 44.459 1.839 1.344 14152499 44.459 1.712 1.839 10075555 44.459 1.712 1.339 10832368 44.459 0.850 1.839 26099182 44.459 0.771 1.842 30352368 44.459 0.767 1.341 30406838 44.459 0.850 1.341 19747304 44.459 1.545 4.497 6968220 44.470 1.348 1.842 17661952 44.476 9.317 1.352 5238038 44.499 1.348 1.341 20238756 44.578 1.898 3.855 6692639 44.581 9.350 1.836 4449402 44.581 9.016 1.836 2271268 44.592 0.995 3.859 10305129 44.593 4.483 3.858 56651500 44.597 3.859 4.488 52800524 44.614 7.581 3.861 20476840 44.620 1.541 3.851 6939954 44.626 9.132 3.860 20278216 44.635 9.134 4.486 19858706 44.656 0.993 4.487 7864014 44.667 1.908 4.488 6549273 44.672 7.586 4.485 15413497 45.427 8.837 4.381 4890218 45.482 3.095 3.749 3345099 45.520 8.827 3.759 4190734 45.520 1.496 4.391 7910584 45.535 1.868 3.730 6698511 45.536 1.888 4.384 4325048 45.537 4.827 3.728 13618823 45.541 7.963 3.733 21725882 45.544 4.827 4.387 11125249 45.545 4.393 4.388 21791740 45.549 3.740 4.391 33830656 45.552 0.431 3.729 18487962 45.560 8.154 4.385 9312434 45.561 8.157 3.731 13080224 45.561 7.962 4.389 16064952 45.562 4.389 3.730 35603032 45.563 1.496 3.729 11932575 45.568 0.430 4.395 19323202 45.574 0.766 3.724 4892482 45.579 5.601 3.736 3223551 45.599 0.797 4.395 5926568 45.611 3.740 3.731 58068560 45.960 5.460 1.284 6267138 45.960 5.460 1.440 3631134 45.960 8.989 1.278 2399978 45.960 8.997 1.443 2269318 45.960 1.279 1.276 27922808 45.960 1.450 1.278 14162081 45.960 1.283 1.437 15023276 45.960 1.542 1.434 12632143 45.960 1.542 1.276 12766358 45.960 0.587 1.278 17189012 45.960 0.793 1.278 19979924 45.960 0.793 1.434 16268416 45.960 0.581 1.433 13187883 46.092 9.303 1.277 2269125 46.331 8.259 4.885 4054982 46.494 8.236 3.923 10155877 46.494 3.887 3.919 35552728 46.526 9.710 4.892 3216704 46.543 2.469 3.924 6483926 46.548 2.680 3.916 5958625 46.558 9.700 3.918 10490494 46.580 0.796 3.923 6191576 46.583 0.438 3.922 10082842 46.613 4.882 3.922 32397660 46.613 3.923 4.887 11598893 46.613 4.901 4.886 7614169 46.618 8.050 3.923 4988076 46.618 8.976 3.919 14939073 46.655 8.954 1.263 3895354 46.655 6.804 1.704 3860278 46.655 5.521 1.266 10807533 46.655 1.275 1.269 59794548 46.668 8.364 1.260 4380960 46.668 0.940 1.272 18826856 46.673 5.509 1.714 10977448 46.678 1.399 3.919 3053586 46.691 4.601 1.267 4589504 46.692 8.633 1.704 5809890 46.693 8.975 4.885 4030264 46.696 0.941 1.710 19052760 46.701 3.367 1.710 6732874 46.703 2.645 1.271 5172150 46.709 1.271 1.707 48034256 46.711 0.621 1.709 38607824 46.715 4.606 1.714 5766054 46.718 1.700 1.267 34878884 46.720 2.646 1.706 8827253 46.727 1.704 1.712 34090676 46.735 8.950 1.704 6537850 46.767 1.684 3.923 3128264 46.798 8.355 1.712 4733301 46.808 3.350 1.256 4444202 46.825 2.269 3.929 5925355 46.858 0.614 1.265 39034040 46.894 7.982 4.176 20652020 46.897 0.670 4.187 4866576 46.906 4.173 4.031 34456840 46.907 7.983 4.031 20434268 46.909 0.683 4.015 6287112 46.913 4.039 4.173 32251122 46.945 9.248 3.999 3748146 46.950 1.360 4.173 2600856 46.962 7.985 4.883 4969606 46.991 1.353 4.033 4658734 47.045 8.904 4.018 11043549 47.053 2.241 4.011 6585498 47.105 8.615 1.263 8966388 47.187 8.440 1.519 3487753 47.239 1.265 1.262 101306648 47.326 5.574 1.260 15071324 47.345 0.770 1.260 38720240 47.359 2.027 1.519 20287904 47.372 5.578 1.519 17452176 47.372 0.534 1.518 42037040 47.373 8.593 1.519 11562930 47.375 1.265 1.518 94457344 47.384 1.530 1.519 110058048 47.384 0.770 1.519 43374644 47.384 5.726 1.518 4992288 47.384 5.726 1.258 3209470 47.388 2.025 1.259 10340444 47.394 1.528 1.260 60152120 47.427 7.616 1.258 7899856 47.440 7.607 1.516 8938844 49.415 6.795 3.419 2458728 49.470 1.759 3.422 19942912 49.479 4.619 3.424 4093833 49.479 4.628 3.473 2810045 49.479 3.464 3.404 88003152 49.479 3.437 3.465 93070904 49.479 1.761 3.454 17777814 49.479 1.323 3.418 27218756 49.479 1.332 3.467 26812840 49.479 0.983 3.471 2129838 49.479 0.989 3.422 2109145 50.655 8.331 3.536 4006856 50.666 1.965 3.546 27079778 50.672 4.625 3.546 5130892 50.683 4.305 3.547 22204142 50.685 2.763 3.551 17489442 50.692 2.760 3.618 13593439 50.694 2.398 3.558 6976810 50.700 8.335 3.572 3933239 50.700 1.965 3.610 21974550 50.708 4.304 3.610 21461890 50.710 4.631 3.603 5704324 50.714 3.560 3.612 63436084 50.714 3.630 3.547 58946032 50.714 2.071 3.547 18795844 50.714 2.067 3.610 13497062 50.732 2.376 3.637 4235891 51.519 2.225 4.366 4777960 51.632 1.700 4.370 8890710 51.632 7.987 4.373 22911336 51.645 1.342 4.373 177197104 51.656 8.291 4.367 7013868 51.659 7.501 4.371 35513564 51.697 1.927 4.369 12207138 52.199 2.761 4.306 30507132 52.212 1.958 4.313 9920082 52.218 3.599 4.305 34349172 52.268 7.704 4.306 7103552 52.303 9.009 5.588 2814248 52.324 7.031 4.302 2444938 52.383 7.172 5.590 5957631 52.551 5.591 5.587 61247628 52.560 8.156 5.588 27443496 52.560 3.018 5.603 2295830 52.567 5.357 5.584 16142756 52.595 1.357 4.988 11707823 52.596 1.962 5.591 8412219 52.596 1.879 5.591 8462263 52.596 1.752 5.588 14233045 52.596 1.625 5.588 17965698 52.596 0.868 5.593 6745324 52.609 8.760 5.585 8694113 52.642 8.637 4.997 8771697 52.646 9.026 4.993 18478600 52.657 1.854 4.988 10205609 52.675 4.168 4.993 12063683 52.676 4.991 4.992 43982720 52.683 9.340 4.992 4665084 52.687 1.688 4.992 7395690 52.689 2.158 4.990 5505374 52.725 0.854 4.989 38492560 52.725 0.776 4.989 30017008 52.796 2.882 4.716 21722744 52.804 8.567 4.716 19343800 52.805 4.628 4.715 53781924 52.818 2.694 4.716 20035660 52.822 7.957 4.717 17100904 52.839 4.710 4.715 285349952 52.898 8.482 5.493 4593367 52.898 5.310 5.502 11959049 52.898 8.995 5.495 3483520 52.935 1.807 5.494 9878414 52.994 9.321 5.481 25277438 52.994 0.881 5.489 32160848 52.994 0.789 5.495 33603144 53.017 1.131 5.487 8665772 53.168 8.364 5.336 4994280 53.195 3.372 5.342 10652819 53.196 6.786 5.343 11905040 53.197 9.075 5.343 12044618 53.207 5.340 5.343 36263744 53.207 5.213 5.344 12427988 53.221 0.964 5.345 8603288 53.233 0.585 5.338 9290380 53.287 4.628 5.344 30970768 53.358 3.717 5.226 2870576 53.391 9.326 5.457 31939764 53.391 1.283 5.468 15103926 53.391 1.476 5.468 16827198 53.391 0.596 5.465 11009619 53.391 0.798 5.468 41080476 53.391 1.556 5.466 20573744 53.401 6.786 5.218 10888773 53.441 9.016 5.459 5398116 53.441 3.355 5.225 6750998 53.453 5.476 5.473 67378680 53.459 9.442 5.223 4204969 53.473 1.184 5.221 11513888 53.479 0.585 5.220 26029420 53.483 3.833 5.453 4496567 53.496 1.590 5.220 10469828 53.496 0.837 5.231 11127933 53.498 2.650 5.344 7370442 53.517 9.059 5.221 19644764 53.517 5.339 5.219 13616004 53.551 1.452 5.222 11558911 53.637 2.651 5.217 8845483 53.661 9.027 4.633 6188090 53.789 4.624 4.630 1708055296 53.853 2.128 4.631 9996243 53.870 2.768 4.631 83651688 53.876 8.569 4.631 209730112 53.879 2.655 4.630 110961184 53.886 8.775 4.630 31682894 53.899 1.540 4.633 11136124 53.944 7.958 4.629 15239509 54.014 0.798 5.204 12241553 54.017 9.316 5.571 4839158 54.064 1.665 4.633 11205503 54.081 1.528 5.579 16840638 54.105 1.269 5.571 21329890 54.111 0.768 5.575 40452164 54.111 5.575 5.575 81509056 54.113 8.586 5.577 14713183 54.113 0.548 5.572 11142669 54.117 2.029 5.585 6629920 54.125 7.611 5.578 34479184 54.142 1.679 5.507 13381095 54.149 8.632 5.508 41632676 54.173 0.942 5.510 35040876 54.212 2.672 4.915 27770184 54.237 1.609 5.193 29579368 54.247 0.441 5.195 12845958 54.270 8.656 5.194 10467579 54.270 1.358 5.194 20609910 54.270 8.234 5.194 33904016 54.270 5.162 5.202 76972344 54.274 1.980 5.194 21957316 54.314 0.764 4.635 28747458 54.363 2.497 4.914 26624800 54.367 8.051 4.918 8564151 54.373 9.221 5.193 4601172 54.375 8.945 5.504 6711662 54.375 1.270 5.504 17973712 54.375 0.614 5.510 18699594 54.429 5.730 5.363 16732712 54.438 9.755 5.361 22290380 54.438 9.698 4.912 6691034 54.458 2.312 5.355 9454023 54.458 1.980 5.364 12110889 54.458 2.093 5.364 10294350 54.458 0.846 5.361 15580626 54.459 5.361 5.361 40031468 54.459 8.595 5.360 10924912 54.511 8.741 5.365 8153664 54.511 3.837 5.368 8885274 54.526 0.791 4.916 9775166 54.659 7.157 4.227 4489979 54.667 7.959 5.252 7271344 54.674 6.777 4.229 7579026 54.682 2.233 4.228 23437272 54.688 2.260 5.243 11155099 54.688 1.726 5.246 12293615 54.688 0.841 5.249 9370985 54.688 1.393 5.246 13385162 54.700 1.413 4.238 8338098 54.729 8.010 4.228 32288902 54.730 2.160 5.245 18041794 54.741 8.433 5.244 30240454 54.750 1.937 4.230 16280687 54.763 8.783 4.230 6964038 54.769 1.807 4.229 13056243 54.916 8.328 4.937 10131443 54.942 7.742 4.943 4378588 54.958 1.636 4.936 30592760 54.958 1.731 4.938 22032986 54.976 1.493 4.935 18475574 55.005 0.435 4.934 9428293 55.010 2.132 4.098 94935096 55.014 4.104 4.099 2227828992 55.017 8.779 4.099 142741440 55.023 2.559 4.098 29822334 55.026 1.992 4.936 22305486 55.051 5.488 4.102 10306988 55.157 8.615 5.368 12810450 55.621 0.855 4.289 22146376 55.729 2.213 4.290 75139080 55.742 1.876 4.289 123378456 55.776 8.586 4.294 151296512 55.776 8.638 4.294 96836312 55.890 5.338 4.169 5762545 55.904 3.737 5.307 8215776 55.926 9.070 4.171 16985362 55.946 8.627 4.170 76409752 55.949 1.444 4.169 29354772 55.973 1.595 4.169 32029604 56.006 0.850 4.175 78674152 56.006 0.911 4.172 71877528 56.042 0.852 5.307 44132192 56.056 1.390 4.296 12740365 56.098 0.812 5.188 13076866 56.099 0.583 5.312 5954004 56.100 1.550 5.726 4586060 56.107 8.242 5.183 5331550 56.110 1.595 5.311 9490858 56.111 8.980 5.317 28821878 56.111 9.059 5.317 12509919 56.111 9.320 5.311 2653825 56.111 5.499 5.314 13765202 56.115 1.799 5.321 7687699 56.128 1.822 5.179 15781306 56.160 1.364 5.181 6409796 56.167 8.591 5.726 26213714 56.172 0.592 5.730 5694762 56.180 1.677 5.173 16622751 56.186 1.943 5.719 5177495 56.187 9.321 5.728 6142840 56.188 3.839 5.726 30635382 56.192 9.238 5.176 19010562 56.197 5.181 5.175 55283552 56.197 1.998 5.176 23885614 56.197 5.729 5.724 52889604 56.201 0.439 5.176 12634312 56.206 5.364 5.727 21975666 56.212 0.818 5.726 9772826 56.224 5.578 5.353 17113008 56.232 9.753 5.731 9953787 56.249 7.739 5.177 8668251 56.252 0.992 4.645 11429916 56.274 2.177 4.643 15838479 56.285 8.162 5.356 3565880 56.291 2.089 4.368 9326127 56.296 7.153 5.351 6376189 56.300 3.021 5.361 12793591 56.300 2.921 5.358 11122388 56.300 5.359 5.358 62962592 56.300 8.012 5.355 4392460 56.300 9.002 5.355 21734790 56.346 0.753 4.364 25022472 56.348 1.776 4.362 22191312 56.351 1.625 4.370 30626922 56.351 1.170 4.365 13838899 56.365 0.936 4.363 23455050 56.368 7.388 4.367 14452838 56.372 1.261 4.363 21655492 56.374 9.447 4.636 3352797 56.380 8.948 4.366 23945908 56.383 8.936 4.644 21663066 56.383 9.028 4.647 10903006 56.383 4.843 4.641 11099894 56.383 2.220 4.647 13185142 56.390 1.905 4.646 12293319 56.417 8.934 5.729 3556223 56.475 4.612 3.792 4790680 56.553 1.387 3.794 31860890 56.558 3.797 3.791 86220096 56.571 4.828 3.793 9961449 56.591 8.881 3.791 29310524 56.592 1.940 3.793 34431604 56.592 1.888 3.793 36496744 56.599 9.391 3.795 11402948 56.618 2.392 3.787 9563882 56.621 0.438 3.792 2556372 56.970 1.533 4.869 5214876 57.004 7.489 4.056 2668867 57.012 8.294 4.063 5970277 57.042 1.762 4.061 15403457 57.044 0.938 4.060 13300639 57.045 1.599 4.059 26554964 57.046 0.668 4.063 43382700 57.070 7.983 4.061 15048872 57.114 1.349 4.060 4571520 57.123 1.893 3.943 8115740 57.129 8.152 3.945 6814176 57.156 9.071 4.055 4748173 57.178 3.074 3.943 3507694 57.178 3.144 3.941 5777692 57.183 0.730 4.889 8184964 57.184 7.751 3.938 3497383 57.189 1.291 3.942 18614478 57.197 0.722 3.941 44194492 57.198 1.510 3.941 44605176 57.200 3.944 3.940 139175840 57.201 1.689 3.941 24651270 57.204 4.750 3.939 15253671 57.205 8.775 3.941 50620624 57.218 2.236 3.938 4917748 57.220 7.961 3.943 29542652 57.314 8.335 3.939 2136229 57.655 2.923 4.911 7089986 57.791 7.720 4.929 5520534 58.000 2.924 4.563 6359826 58.014 3.831 4.554 28975756 58.014 3.713 4.554 22135858 58.033 7.755 4.555 13893263 58.058 4.566 4.911 28545198 58.066 1.975 4.116 25282590 58.066 1.896 4.119 25704518 58.080 8.871 4.555 29577000 58.093 8.863 4.907 8077095 58.099 0.768 4.554 13989901 58.132 0.770 4.125 6834206 58.150 2.917 4.118 6629647 58.178 8.498 4.562 2957198 58.185 0.925 4.116 5731187 58.216 2.323 4.119 18754092 58.217 7.774 4.124 8192290 58.233 2.131 4.118 15916932 58.237 1.164 4.120 8147103 58.251 8.643 4.122 10214651 58.492 1.651 4.123 11596823 58.670 1.632 4.529 5566520 58.790 0.938 4.517 7040460 58.830 3.718 4.524 54173944 58.830 3.801 4.524 67961920 58.830 8.831 4.521 18937152 58.830 0.771 4.521 13829026 58.843 4.517 4.519 274762720 58.853 0.690 4.521 15945720 58.872 7.392 4.521 11306902 58.893 4.051 4.520 15082894 58.914 1.169 4.527 3583291 58.933 1.679 5.147 5822385 58.962 7.388 5.143 4418648 58.988 3.768 5.149 9344765 59.000 8.846 5.145 16108272 59.005 1.933 4.138 89936752 59.009 4.202 5.144 29489520 59.016 0.724 5.145 11425804 59.024 8.710 5.146 13861833 59.030 5.148 5.146 89843448 59.036 5.742 5.145 21625314 59.046 1.362 5.144 4620722 59.050 1.160 5.145 23745190 59.060 8.940 5.145 10538377 59.076 7.501 4.139 13261274 59.098 8.288 4.138 33588924 59.122 7.988 4.139 6080804 59.144 0.944 5.138 5291042 59.200 4.072 5.148 17579652 59.333 1.691 4.138 21413796 59.333 1.498 4.138 32043792 59.333 1.419 4.138 25492106 59.771 7.693 4.631 3952709 59.790 1.110 4.630 8909920 59.813 5.171 4.622 4183648 59.831 8.468 4.628 19133108 59.913 2.911 4.628 3334938 59.956 3.696 4.630 3185288 59.975 4.915 4.634 12399179 60.004 1.809 4.630 14418156 60.008 9.252 4.627 5206236 60.020 4.624 4.628 112666304 60.178 0.926 4.630 37691568 60.212 1.583 4.627 16229524 60.262 0.780 4.631 43345872 60.264 8.985 4.626 6154354 60.357 5.294 4.633 2626367 60.392 8.660 4.630 29118030 60.392 8.622 4.638 17668176 60.425 5.512 4.629 7307940 62.102 1.170 4.170 3540283 62.107 0.605 4.594 6914528 62.114 8.632 4.591 15675424 62.119 2.039 4.586 17718726 62.135 0.984 4.588 87319288 62.138 5.495 4.590 4331438 62.140 4.586 4.590 153369936 62.142 8.361 4.587 64092124 62.156 8.945 4.586 5060926 62.182 1.647 4.164 4044934 62.188 2.641 4.592 4593427 62.214 2.105 4.165 8724075 62.219 3.373 4.595 5431579 62.224 8.646 4.167 18200056 62.227 4.989 4.165 13388068 62.227 4.392 4.160 3473322 62.233 0.767 4.164 52275564 62.241 9.006 4.163 5961318 62.284 1.878 4.613 7026315 62.324 1.731 3.853 6640246 62.346 3.851 3.841 51655404 62.349 2.494 3.837 3617581 62.353 1.542 4.613 11032923 62.358 0.515 3.852 22536326 62.361 0.793 3.851 32990216 62.363 7.768 4.180 2760872 62.367 9.697 3.854 21207024 62.370 9.074 4.616 11653254 62.375 1.470 3.851 9696188 62.390 5.343 4.617 15200103 62.390 0.802 4.591 4329373 62.412 8.059 3.852 10037927 62.424 8.977 3.850 3639068 62.424 6.789 4.622 8953916 62.424 4.843 3.840 11437246 62.424 3.929 3.837 24654234 62.438 8.345 3.849 4637180 62.668 5.731 4.069 6588537 62.702 1.688 4.069 4762582 62.703 0.730 4.069 35134040 62.708 5.146 4.063 10000660 62.726 7.390 4.063 7406438 62.735 1.158 4.068 7004459 62.740 8.837 4.065 22250864 62.947 9.220 4.058 2799232 63.960 7.392 3.712 11559012 64.018 3.792 3.708 443035552 64.018 3.718 3.793 317000544 64.063 5.176 3.711 7596450 64.098 4.524 3.709 99392680 64.102 7.387 3.784 13853043 64.110 8.841 3.709 22401810 64.119 8.840 3.791 22568946 64.119 4.521 3.791 89211544 64.146 5.174 3.786 8305604 64.157 1.159 3.801 5220602 64.168 5.298 3.788 7637334 64.173 1.145 3.700 9905845 64.177 2.044 3.702 12718839 64.181 9.042 3.792 10832736 64.230 2.047 3.799 12484432 64.238 1.800 3.704 11074049 64.242 0.836 3.701 72874192 64.245 1.530 3.697 12787505 64.248 8.984 3.757 6529560 64.248 5.232 3.749 3732156 64.248 5.294 3.749 5830840 64.265 9.028 3.703 11348103 64.266 1.793 3.814 9495566 64.282 8.470 3.828 5128889 64.287 0.825 3.817 53401956 64.289 1.984 4.638 13509878 64.289 3.564 4.641 4443187 64.301 8.470 3.698 6238174 64.305 5.292 3.704 10152997 64.308 1.517 3.818 8906515 64.329 8.631 3.806 6165529 64.358 7.761 3.699 9828848 64.359 7.757 3.824 10668166 64.384 8.643 3.711 4924078 64.409 5.485 3.693 5408177 64.478 4.633 4.636 63001976 64.500 8.870 3.831 13425080 64.500 8.870 3.703 12717997 64.500 3.704 3.820 217871584 64.500 3.818 3.708 272191776 64.512 9.386 4.640 9911456 64.521 1.943 4.642 19304616 64.549 1.518 4.643 4549696 64.553 2.388 4.641 14498847 64.598 0.432 4.642 8687896 64.600 0.995 4.635 6299442 65.391 7.579 3.762 3634891 65.517 5.148 3.766 6823844 65.524 8.494 3.766 9449764 65.533 1.363 3.763 35612376 65.537 0.951 3.762 106987560 65.546 8.704 3.764 29384858 65.546 4.717 3.769 6554384 65.551 1.676 3.764 23590706 65.560 2.073 3.765 27154210 65.638 1.152 3.765 4644248 65.722 1.958 3.829 16596862 65.743 9.751 3.834 7285372 65.777 2.076 3.825 21747828 65.783 2.300 3.834 16914486 65.796 0.607 3.836 7314845 65.803 9.314 3.833 41002480 65.807 5.730 3.833 69332504 65.808 7.177 3.835 19189782 65.821 0.773 3.833 21101144 65.825 5.371 3.833 31870448 65.833 1.543 3.826 7466364 65.862 3.838 3.832 1090807808 65.939 8.579 3.832 37808932 69.950 4.212 4.212 42763848 70.067 0.706 4.212 10926533 70.073 8.717 4.208 5455080 70.076 5.150 4.215 15863764 70.090 1.160 4.212 26161062 70.101 5.739 4.211 14105663 70.120 0.543 4.216 3164219 70.137 8.865 4.211 5183465 118.327 6.473 6.464 60763120 118.332 1.160 6.463 18148480 118.334 7.593 6.469 3432329 118.339 6.795 6.465 16637707 118.354 0.796 6.466 12828433 118.362 1.741 6.474 3534471 118.447 8.502 6.455 1851755 129.887 7.194 7.386 8897213 130.295 1.716 7.174 -348651 130.295 1.966 7.159 -289139 130.998 4.808 7.164 1468121 130.998 2.903 7.179 1865587 130.998 1.907 7.179 1486444 130.998 1.716 7.179 1213839 130.998 1.555 7.183 2157983 130.998 1.379 7.159 1220818 130.998 0.764 7.179 569277 131.201 5.340 6.785 -353301 131.230 1.679 6.792 350566 131.243 1.168 6.797 -368406 131.264 2.669 6.803 547936 131.316 0.616 6.792 430232 131.327 9.065 6.799 109617 131.333 6.793 6.793 952338 131.335 0.799 6.789 809290 131.343 4.621 6.791 636348 131.346 6.473 6.795 1345723 131.355 3.373 6.791 620489 131.388 5.235 6.793 483646 131.760 0.630 7.046 1235644 131.760 0.777 7.046 3811140 131.760 0.909 7.046 1632475 131.760 1.085 7.046 -738707 131.760 1.817 7.046 4007599 131.760 2.916 7.051 8957919 131.829 6.804 7.036 7631919 131.936 5.585 7.159 129762 131.936 5.365 7.169 3022618 131.936 4.808 7.164 2589021 131.936 1.394 7.159 2485627 131.936 1.585 7.159 2404242 131.936 1.760 7.154 2636864 131.936 1.936 7.164 3581143 131.936 2.924 7.161 3623664 131.936 3.010 7.158 1578192 ; 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 C 13 Caliph 1 14963.631 . . . 16961 2 2 H 1 H 2 10000 . . . 16961 2 3 H 1 HC 1 15243.902 . . . 16961 2 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 7 $SPARKY . . 16961 2 stop_ save_ save_4D_ccnoesy.list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode 4D_ccnoesy.list _Spectral_peak_list.Entry_ID 16961 _Spectral_peak_list.ID 3 _Spectral_peak_list.Sample_ID 3 _Spectral_peak_list.Sample_label $NC_sample_in_D2O _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 17 _Spectral_peak_list.Experiment_name '4D CC NOESY' _Spectral_peak_list.Number_of_spectral_dimensions 4 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 w4 Data Height 14.658 17.104 0.802 6.460 -57356 14.799 18.877 1.145 6.470 -105027 14.827 14.808 6.481 6.469 172483 15.567 15.569 0.772 0.782 1272076 15.587 17.478 0.954 0.748 137483 15.605 21.464 0.885 0.776 181976 15.641 27.033 1.566 0.727 69435 15.660 21.370 0.860 0.737 283410 15.668 15.661 0.738 0.732 1946802 15.673 18.305 0.791 0.736 193385 15.684 26.405 0.569 0.731 218300 15.690 27.127 0.934 0.727 75840 15.693 25.570 0.596 0.730 335441 15.771 25.884 0.784 0.735 172581 16.761 30.808 2.558 2.082 207890 17.004 27.154 0.962 0.805 109864 17.028 25.515 0.622 0.809 108601 17.029 21.000 3.868 0.807 46689 17.039 33.470 0.528 0.807 -308216 17.080 18.262 1.737 0.807 -76984 17.094 17.098 0.810 0.811 1683518 17.303 32.920 2.504 0.962 80207 17.316 17.590 2.890 0.965 -74540 17.321 28.618 1.672 0.962 251899 17.321 24.081 3.760 0.962 363555 17.326 28.647 1.354 0.964 251849 17.328 33.259 0.913 0.963 -1097833 17.350 32.929 2.353 0.962 94065 17.350 17.342 0.962 0.962 11542211 17.361 17.511 2.074 0.963 -437902 17.368 17.559 2.685 0.963 -61740 17.433 15.600 0.754 0.941 215529 17.462 21.048 0.774 0.949 114884 18.346 26.627 0.474 0.788 85450 18.346 15.642 0.723 0.783 142575 18.355 18.345 0.791 0.790 1249672 18.363 33.398 0.519 0.788 -124162 18.383 27.158 0.956 0.792 159157 18.401 25.515 0.608 0.791 103907 18.860 18.856 1.145 1.144 3535683 18.865 22.153 0.703 1.144 128210 18.870 26.091 0.536 1.145 162108 18.878 28.723 4.204 1.144 147531 18.882 17.591 5.147 1.145 87519 18.892 24.317 0.784 1.145 50845 19.372 22.123 1.333 1.332 102216 19.429 23.038 1.377 1.334 89239 19.436 19.434 1.337 1.335 10554941 19.444 24.914 1.436 1.337 80391 19.454 30.955 4.357 1.335 -610176 19.454 33.465 2.265 1.336 108083 19.489 31.402 1.943 1.332 79478 19.527 21.012 2.956 1.331 -47963 20.884 20.767 4.169 0.776 76741 20.886 31.030 2.085 0.778 159363 20.921 25.613 0.853 0.774 341796 20.955 20.948 0.785 0.784 3558609 20.992 31.004 2.094 0.733 113107 21.033 21.017 0.744 0.731 2511816 21.035 17.464 0.953 0.733 95019 21.050 20.698 4.176 0.732 66067 21.083 20.883 2.914 0.767 -52495 21.181 24.218 0.751 0.856 201062 21.209 15.363 1.768 0.856 -163986 21.220 25.876 0.782 0.867 323414 21.274 18.617 4.914 0.864 46352 21.275 25.621 0.593 0.868 359894 21.293 21.281 0.868 0.867 9535753 21.374 14.517 1.952 0.871 -225565 21.379 15.623 0.748 0.870 414502 21.414 24.607 0.852 0.959 1035972 21.419 14.612 4.166 0.959 269196 21.419 14.841 2.048 0.967 -450415 21.421 22.182 1.595 0.961 -75573 21.423 21.420 0.965 0.965 18158858 21.429 25.383 0.634 0.964 122128 21.430 20.670 4.591 0.966 153780 21.436 26.840 1.536 0.960 88799 21.466 14.853 2.048 0.993 -501010 21.467 25.392 0.625 0.984 119315 21.479 20.670 4.590 0.989 157043 21.982 15.464 1.762 0.755 -55092 22.026 21.500 0.993 1.353 268377 22.063 22.075 0.746 0.756 2802488 22.071 21.353 4.066 0.757 91110 22.083 32.390 1.680 0.753 67766 22.111 18.888 1.143 0.681 86132 22.114 28.822 4.216 0.681 45806 22.148 21.367 4.062 0.678 113889 22.183 26.098 0.529 0.751 66073 22.191 26.027 0.535 0.678 211150 22.213 32.388 1.681 0.675 69770 22.236 26.260 2.037 0.676 63412 22.245 15.721 1.627 1.358 -87580 22.247 25.007 1.341 1.356 85456 22.270 29.226 1.606 1.358 239202 22.281 15.651 1.985 1.360 -78395 22.289 22.289 1.357 1.357 5031236 22.293 31.738 4.787 1.359 -72743 22.294 15.410 1.770 0.675 -73546 22.319 15.375 1.770 0.914 -150764 22.337 22.328 0.911 0.913 3831730 22.374 22.365 0.679 0.672 5021252 22.383 17.973 0.656 0.910 86747 22.605 20.205 1.756 0.661 -57313 22.617 25.535 0.944 0.666 643926 22.619 20.218 1.629 0.666 -60976 22.637 15.553 4.070 0.664 142805 22.658 19.422 1.329 1.390 75065 22.662 27.064 1.611 0.664 108846 22.752 20.525 2.930 1.392 -103465 22.753 22.753 1.392 1.392 3769207 22.766 21.490 1.003 0.995 -669363 22.824 28.685 4.806 1.397 87540 22.867 28.465 0.154 1.399 -108927 22.881 33.779 1.985 0.843 109623 22.912 15.587 2.198 0.994 -189078 22.925 22.923 0.994 0.994 4461329 22.943 33.755 1.985 0.993 193040 22.958 21.967 1.592 0.840 -69954 23.019 24.572 0.868 0.993 221760 23.309 21.401 0.988 0.996 453520 23.385 23.391 0.836 0.834 6819677 23.945 18.918 1.452 0.724 -79940 23.949 17.502 2.887 0.725 -128852 23.950 22.673 3.128 0.725 -97093 23.967 32.936 4.739 0.725 -84807 23.975 15.749 3.956 0.724 278613 23.976 17.501 2.693 0.725 -193619 23.996 27.264 1.459 0.725 535885 24.004 18.905 1.895 0.724 -53712 24.004 23.998 0.732 0.727 17407658 24.031 14.695 5.323 0.865 97271 24.037 21.350 2.954 0.724 -83760 24.044 15.242 2.266 0.725 -105960 24.091 32.388 5.512 0.866 -71163 24.282 22.766 3.742 0.867 118598 24.313 24.306 0.776 0.773 11141658 24.315 26.223 2.045 0.775 159261 24.341 25.960 0.539 0.776 699098 24.346 33.501 0.529 0.778 -140597 24.348 33.370 5.591 0.777 -144990 24.421 21.012 2.899 0.868 -92873 24.426 14.876 2.058 0.868 -180364 24.449 26.901 1.524 0.867 550264 24.475 21.436 0.971 0.868 1109862 24.484 14.614 4.166 0.868 344858 24.485 33.785 1.986 0.865 74038 24.499 22.048 1.457 0.867 -298162 24.508 29.170 3.118 0.867 57160 24.512 22.034 1.581 0.866 -275272 24.543 24.562 0.864 0.868 22601714 24.675 22.625 0.805 0.794 272116 24.936 14.622 4.170 0.834 212031 24.960 21.418 0.965 0.833 730452 24.966 22.061 1.465 0.829 -251360 24.970 22.057 1.593 0.829 -289911 25.166 22.625 0.850 0.815 390871 25.174 33.825 1.969 0.819 157767 25.183 18.907 1.447 0.816 -100457 25.202 27.097 1.489 0.816 869655 25.206 33.989 2.063 0.816 182578 25.206 27.668 1.438 0.613 240711 25.215 15.240 2.256 0.818 -325925 25.215 25.209 0.817 0.816 33083994 25.225 18.939 1.889 0.815 -87303 25.232 21.372 2.956 0.817 -342147 25.240 29.359 1.592 0.815 220522 25.257 15.783 3.956 0.816 66073 25.265 32.700 5.275 0.606 -65763 25.287 22.862 3.755 0.809 123319 25.298 29.808 1.923 0.810 93355 25.359 18.884 1.150 0.602 95128 25.401 20.792 4.173 0.859 63050 25.433 27.041 1.598 0.939 171132 25.441 27.142 0.939 0.602 394643 25.474 21.085 2.916 0.945 -78997 25.508 28.983 1.611 0.940 80673 25.511 33.290 5.495 0.644 -50153 25.513 27.615 1.528 0.597 412545 25.526 25.521 0.942 0.943 6102780 25.527 22.597 0.664 0.944 658463 25.531 32.995 5.478 0.596 -87747 25.535 20.886 0.769 0.945 117682 25.539 33.479 0.519 0.596 -146232 25.540 27.031 1.659 0.647 113016 25.543 21.310 0.884 0.597 349502 25.545 20.144 1.749 0.945 -103064 25.550 15.512 4.067 0.942 65483 25.557 22.698 0.674 0.654 75109 25.559 15.673 0.737 0.597 331322 25.564 14.987 4.362 0.943 69579 25.567 17.044 0.804 0.647 89739 25.618 27.426 1.535 0.624 190915 25.618 15.657 0.743 0.624 173192 25.618 21.371 0.898 0.624 161480 25.618 27.256 0.941 0.624 360122 25.618 33.424 0.530 0.624 -81105 25.701 32.805 5.473 0.778 -108056 25.873 27.603 0.188 7.137 304898 25.879 25.891 0.141 7.136 700228 25.976 22.392 0.686 0.778 201226 25.989 24.336 0.780 0.520 576993 25.991 25.990 0.528 0.520 4259772 25.994 26.642 1.513 0.520 -83332 25.994 21.137 0.836 0.779 306676 26.004 26.224 2.044 0.520 134913 26.005 22.154 0.688 0.521 196840 26.010 18.850 1.147 0.520 121535 26.016 15.642 0.725 0.779 133684 26.023 26.717 1.264 0.519 -89694 26.030 21.310 0.851 0.524 94704 26.363 26.369 1.124 1.122 413493 26.522 18.875 1.153 0.571 84095 26.524 26.530 0.465 0.451 826750 26.554 26.530 0.402 7.388 99602 26.560 15.678 0.735 0.574 208996 26.579 23.076 0.437 0.449 133353 26.611 27.792 1.459 0.572 149963 26.611 18.328 0.792 0.447 85084 26.627 28.211 0.572 0.573 214534 26.628 26.617 0.573 0.572 5478186 26.629 15.553 0.774 0.444 85030 26.995 27.524 0.185 7.386 51305 27.139 27.147 0.942 0.940 1736011 27.142 25.520 0.629 0.940 704554 27.169 27.006 1.637 0.941 85380 27.193 33.410 5.513 0.938 -65194 27.578 25.947 0.143 7.185 415032 27.648 27.655 0.192 7.183 1598056 28.077 16.327 0.191 7.185 661225 28.131 16.186 0.191 7.030 -64095 28.259 20.709 2.848 7.173 69864 28.310 28.598 1.613 7.175 -70148 28.366 28.342 0.050 7.040 249691 28.399 28.430 0.166 7.170 1685049 28.488 22.866 1.395 7.169 -108910 32.072 17.527 2.880 4.721 246532 32.080 33.255 0.917 4.722 240128 32.089 32.087 4.723 4.720 1188207 32.102 17.529 2.704 4.719 227086 32.172 17.344 0.966 4.724 -74911 33.192 14.490 2.240 0.919 90296 33.239 17.525 2.893 0.920 149536 33.253 24.080 3.761 0.917 -190009 33.258 17.343 0.966 0.919 -1053363 33.261 17.508 2.078 0.918 246192 33.262 28.639 1.351 0.917 -402673 33.267 33.264 0.916 0.918 17287114 33.275 17.518 2.691 0.917 109006 33.285 32.086 4.721 0.919 97477 33.319 25.643 0.601 0.530 -211530 33.420 27.545 0.546 0.525 -60737 33.439 23.090 0.434 0.525 -68673 33.442 27.594 1.499 0.529 -102121 33.466 18.363 0.795 0.523 -106606 33.471 17.034 0.813 0.527 -305078 33.479 33.476 0.529 0.527 2500961 33.497 18.256 1.742 0.527 69982 33.709 24.390 0.782 0.533 -140653 33.766 14.294 0.539 0.528 -80083 33.989 21.356 0.879 0.541 -134981 33.989 25.459 0.799 0.530 -240277 ; 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 C 13 Caliph 1 3121.342 . . . 16961 3 2 C 13 C 2 3121.342 . . . 16961 3 3 H 1 HC 2 4197.272 . . . 16961 3 4 H 1 HC 1 8000 . . . 16961 3 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 7 $SPARKY . . 16961 3 stop_ save_