data_16238 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16238 _Entry.Title ; Solution NMR structure of VC_A0919 from Vibrio cholerae. Northeast Structural Genomics Consortium Target VcR52. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-04-02 _Entry.Accession_date 2009-04-02 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.125 _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 Theresa Ramelot . A. . 16238 2 John Cort . R. . 16238 3 Huang Wang . . . 16238 4 Colleen Ciccosanti . . . 16238 5 Mei Jiang . . . 16238 6 Jinfeng Liu . . . 16238 7 Burkhard Rost . . . 16238 8 G.V.T. Swapna . . . 16238 9 Thomas Acton . B. . 16238 10 Rong Xiao . . . 16238 11 John Everett . K. . 16238 12 Gaetano Montelione . T. . 16238 13 Michael Kennedy . A. . 16238 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' . 16238 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'alpha beta' . 16238 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16238 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 437 16238 '15N chemical shifts' 102 16238 '1H chemical shifts' 692 16238 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2010-06-02 2009-04-02 update BMRB 'edit assembly name' 16238 2 . . 2009-06-04 2009-04-02 update BMRB 'added time domain data' 16238 1 . . 2009-05-07 2009-04-02 original author 'original release' 16238 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KHD 'BMRB Entry Tracking System' 16238 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16238 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution NMR structure of VC_A0919 from Vibrio cholerae. Northeast Structural Genomics Consortium Target VcR52.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Theresa Ramelot . A. . 16238 1 2 John Cort . R. . 16238 1 3 Huang Wang . . . 16238 1 4 Colleen Ciccosanti . . . 16238 1 5 Mei Jiang . . . 16238 1 6 Jinfeng Liu . . . 16238 1 7 Burkhard Rost . . . 16238 1 8 G.V.T. Swapna . . . 16238 1 9 Thomas Acton . B. . 16238 1 10 Rong Xiao . . . 16238 1 11 John Everett . K. . 16238 1 12 Gaetano Montelione . T. . 16238 1 13 Michael Kennedy . A. . 16238 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16238 _Assembly.ID 1 _Assembly.Name VC_A0919 _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 12000 _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 VC_A0919 1 $protein A . yes native no no . . . 16238 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_protein _Entity.Sf_category entity _Entity.Sf_framecode protein _Entity.Entry_ID 16238 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name VC_A0919 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSNQTCVENEVCEACGCAGE IGFIIREGDDVAEVSLFGSD KAHLEGKLAEYISLAKQVYA NVEYEVAPVADNATELHARF KFEVSAEKLIFELKTRALAR LEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details '8 non-native residues at C-teriminus (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 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12000 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KHD . "Solution Nmr Structure Of Vc_a0919 From Vibrio Cholerae. Northeast Structural Genomics Consortium Target Vcr52" . . . . . 100.00 108 100.00 100.00 7.96e-71 . . . . 16238 1 2 no DBJ BAP05215 . "hypothetical protein MS6_A0956 [Vibrio cholerae MS6]" . . . . . 92.59 100 99.00 99.00 8.83e-63 . . . . 16238 1 3 no EMBL CFW12101 . "FIG01200492: hypothetical protein [Vibrio cholerae]" . . . . . 92.59 100 99.00 99.00 8.83e-63 . . . . 16238 1 4 no EMBL CPR24259 . "FIG01200492: hypothetical protein [Vibrio cholerae]" . . . . . 92.59 100 99.00 99.00 8.83e-63 . . . . 16238 1 5 no EMBL CPR24260 . "FIG01200492: hypothetical protein [Vibrio cholerae]" . . . . . 92.59 100 99.00 99.00 8.83e-63 . . . . 16238 1 6 no EMBL CQB51070 . "FIG01200492: hypothetical protein [Vibrio cholerae]" . . . . . 92.59 100 99.00 99.00 8.83e-63 . . . . 16238 1 7 no EMBL CRZ40211 . "Protein of uncharacterised function (DUF406) [Vibrio cholerae]" . . . . . 92.59 100 99.00 99.00 8.83e-63 . . . . 16238 1 8 no GB AAF96816 . "conserved hypothetical protein [Vibrio cholerae O1 biovar El Tor str. N16961]" . . . . . 92.59 100 100.00 100.00 2.39e-64 . . . . 16238 1 9 no GB ABQ19183 . "conserved hypothetical protein [Vibrio cholerae O395]" . . . . . 92.59 100 99.00 99.00 8.83e-63 . . . . 16238 1 10 no GB ACP07838 . "conserved hypothetical protein [Vibrio cholerae M66-2]" . . . . . 92.59 100 99.00 99.00 8.83e-63 . . . . 16238 1 11 no GB ACP11775 . "conserved hypothetical protein [Vibrio cholerae O395]" . . . . . 92.59 100 99.00 99.00 8.83e-63 . . . . 16238 1 12 no GB ACQ62378 . "hypothetical protein VCD_000414 [Vibrio cholerae MJ-1236]" . . . . . 92.59 100 100.00 100.00 2.39e-64 . . . . 16238 1 13 no REF NP_233304 . "hypothetical protein VCA0919 [Vibrio cholerae O1 biovar El Tor str. N16961]" . . . . . 92.59 100 100.00 100.00 2.39e-64 . . . . 16238 1 14 no REF WP_000070924 . "hypothetical protein [Vibrio cholerae]" . . . . . 92.59 100 98.00 99.00 3.16e-62 . . . . 16238 1 15 no REF WP_000070925 . "MULTISPECIES: hypothetical protein [Vibrio]" . . . . . 92.59 100 99.00 99.00 8.83e-63 . . . . 16238 1 16 no REF WP_000070926 . "hypothetical protein [Vibrio albensis]" . . . . . 92.59 100 98.00 99.00 2.04e-62 . . . . 16238 1 17 no REF WP_000070927 . "hypothetical protein [Vibrio cholerae]" . . . . . 92.59 100 100.00 100.00 2.39e-64 . . . . 16238 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID unknown 16238 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 . 16238 1 2 . SER . 16238 1 3 . ASN . 16238 1 4 . GLN . 16238 1 5 . THR . 16238 1 6 . CYS . 16238 1 7 . VAL . 16238 1 8 . GLU . 16238 1 9 . ASN . 16238 1 10 . GLU . 16238 1 11 . VAL . 16238 1 12 . CYS . 16238 1 13 . GLU . 16238 1 14 . ALA . 16238 1 15 . CYS . 16238 1 16 . GLY . 16238 1 17 . CYS . 16238 1 18 . ALA . 16238 1 19 . GLY . 16238 1 20 . GLU . 16238 1 21 . ILE . 16238 1 22 . GLY . 16238 1 23 . PHE . 16238 1 24 . ILE . 16238 1 25 . ILE . 16238 1 26 . ARG . 16238 1 27 . GLU . 16238 1 28 . GLY . 16238 1 29 . ASP . 16238 1 30 . ASP . 16238 1 31 . VAL . 16238 1 32 . ALA . 16238 1 33 . GLU . 16238 1 34 . VAL . 16238 1 35 . SER . 16238 1 36 . LEU . 16238 1 37 . PHE . 16238 1 38 . GLY . 16238 1 39 . SER . 16238 1 40 . ASP . 16238 1 41 . LYS . 16238 1 42 . ALA . 16238 1 43 . HIS . 16238 1 44 . LEU . 16238 1 45 . GLU . 16238 1 46 . GLY . 16238 1 47 . LYS . 16238 1 48 . LEU . 16238 1 49 . ALA . 16238 1 50 . GLU . 16238 1 51 . TYR . 16238 1 52 . ILE . 16238 1 53 . SER . 16238 1 54 . LEU . 16238 1 55 . ALA . 16238 1 56 . LYS . 16238 1 57 . GLN . 16238 1 58 . VAL . 16238 1 59 . TYR . 16238 1 60 . ALA . 16238 1 61 . ASN . 16238 1 62 . VAL . 16238 1 63 . GLU . 16238 1 64 . TYR . 16238 1 65 . GLU . 16238 1 66 . VAL . 16238 1 67 . ALA . 16238 1 68 . PRO . 16238 1 69 . VAL . 16238 1 70 . ALA . 16238 1 71 . ASP . 16238 1 72 . ASN . 16238 1 73 . ALA . 16238 1 74 . THR . 16238 1 75 . GLU . 16238 1 76 . LEU . 16238 1 77 . HIS . 16238 1 78 . ALA . 16238 1 79 . ARG . 16238 1 80 . PHE . 16238 1 81 . LYS . 16238 1 82 . PHE . 16238 1 83 . GLU . 16238 1 84 . VAL . 16238 1 85 . SER . 16238 1 86 . ALA . 16238 1 87 . GLU . 16238 1 88 . LYS . 16238 1 89 . LEU . 16238 1 90 . ILE . 16238 1 91 . PHE . 16238 1 92 . GLU . 16238 1 93 . LEU . 16238 1 94 . LYS . 16238 1 95 . THR . 16238 1 96 . ARG . 16238 1 97 . ALA . 16238 1 98 . LEU . 16238 1 99 . ALA . 16238 1 100 . ARG . 16238 1 101 . LEU . 16238 1 102 . GLU . 16238 1 103 . HIS . 16238 1 104 . HIS . 16238 1 105 . HIS . 16238 1 106 . HIS . 16238 1 107 . HIS . 16238 1 108 . HIS . 16238 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 16238 1 . SER 2 2 16238 1 . ASN 3 3 16238 1 . GLN 4 4 16238 1 . THR 5 5 16238 1 . CYS 6 6 16238 1 . VAL 7 7 16238 1 . GLU 8 8 16238 1 . ASN 9 9 16238 1 . GLU 10 10 16238 1 . VAL 11 11 16238 1 . CYS 12 12 16238 1 . GLU 13 13 16238 1 . ALA 14 14 16238 1 . CYS 15 15 16238 1 . GLY 16 16 16238 1 . CYS 17 17 16238 1 . ALA 18 18 16238 1 . GLY 19 19 16238 1 . GLU 20 20 16238 1 . ILE 21 21 16238 1 . GLY 22 22 16238 1 . PHE 23 23 16238 1 . ILE 24 24 16238 1 . ILE 25 25 16238 1 . ARG 26 26 16238 1 . GLU 27 27 16238 1 . GLY 28 28 16238 1 . ASP 29 29 16238 1 . ASP 30 30 16238 1 . VAL 31 31 16238 1 . ALA 32 32 16238 1 . GLU 33 33 16238 1 . VAL 34 34 16238 1 . SER 35 35 16238 1 . LEU 36 36 16238 1 . PHE 37 37 16238 1 . GLY 38 38 16238 1 . SER 39 39 16238 1 . ASP 40 40 16238 1 . LYS 41 41 16238 1 . ALA 42 42 16238 1 . HIS 43 43 16238 1 . LEU 44 44 16238 1 . GLU 45 45 16238 1 . GLY 46 46 16238 1 . LYS 47 47 16238 1 . LEU 48 48 16238 1 . ALA 49 49 16238 1 . GLU 50 50 16238 1 . TYR 51 51 16238 1 . ILE 52 52 16238 1 . SER 53 53 16238 1 . LEU 54 54 16238 1 . ALA 55 55 16238 1 . LYS 56 56 16238 1 . GLN 57 57 16238 1 . VAL 58 58 16238 1 . TYR 59 59 16238 1 . ALA 60 60 16238 1 . ASN 61 61 16238 1 . VAL 62 62 16238 1 . GLU 63 63 16238 1 . TYR 64 64 16238 1 . GLU 65 65 16238 1 . VAL 66 66 16238 1 . ALA 67 67 16238 1 . PRO 68 68 16238 1 . VAL 69 69 16238 1 . ALA 70 70 16238 1 . ASP 71 71 16238 1 . ASN 72 72 16238 1 . ALA 73 73 16238 1 . THR 74 74 16238 1 . GLU 75 75 16238 1 . LEU 76 76 16238 1 . HIS 77 77 16238 1 . ALA 78 78 16238 1 . ARG 79 79 16238 1 . PHE 80 80 16238 1 . LYS 81 81 16238 1 . PHE 82 82 16238 1 . GLU 83 83 16238 1 . VAL 84 84 16238 1 . SER 85 85 16238 1 . ALA 86 86 16238 1 . GLU 87 87 16238 1 . LYS 88 88 16238 1 . LEU 89 89 16238 1 . ILE 90 90 16238 1 . PHE 91 91 16238 1 . GLU 92 92 16238 1 . LEU 93 93 16238 1 . LYS 94 94 16238 1 . THR 95 95 16238 1 . ARG 96 96 16238 1 . ALA 97 97 16238 1 . LEU 98 98 16238 1 . ALA 99 99 16238 1 . ARG 100 100 16238 1 . LEU 101 101 16238 1 . GLU 102 102 16238 1 . HIS 103 103 16238 1 . HIS 104 104 16238 1 . HIS 105 105 16238 1 . HIS 106 106 16238 1 . HIS 107 107 16238 1 . HIS 108 108 16238 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 16238 _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 $protein . 666 organism . 'Vibrio cholerae' 'Vibrio cholerae' . . Bacteria . Vibrio cholerae . . . . . . . . . . . . . . . . VC_A0919 . 'uncharacterized protein' . . 16238 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 16238 _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 $protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3) pMGK' . . . . . . . . . . . . . . . pET21-23C . . . . . . 16238 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC_sample _Sample.Sf_category sample _Sample.Sf_framecode NC_sample _Sample.Entry_ID 16238 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'slow precipitator' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MES 'natural abundance' . . . . . . 20 . . mM 1 . . . 16238 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 10 . . . 16238 1 3 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.25 . . . 16238 1 4 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 16238 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . mM 0.001 . . . 16238 1 6 protein '[U-100% 13C; U-100% 15N]' . . 1 $protein . . 0.5 . . mM 0.05 . . . 16238 1 stop_ save_ save_NC5_sample _Sample.Sf_category sample _Sample.Sf_framecode NC5_sample _Sample.Entry_ID 16238 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'slow precipitator' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MES 'natural abundance' . . . . . . 20 . . mM 1 . . . 16238 2 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 10 . . . 16238 2 3 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.25 . . . 16238 2 4 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 16238 2 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . mM 0.001 . . . 16238 2 6 protein '[U-5% 13C; U-100% 15N]' . . 1 $protein . . 0.5 . . mM 0.05 . . . 16238 2 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 16238 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 5 mM 16238 1 pH 6.5 0.1 pH 16238 1 pressure 1 . atm 16238 1 temperature 273 0.5 K 16238 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16238 _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' . . 16238 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16238 1 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 16238 _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 . . 16238 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16238 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16238 _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' . . 16238 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16238 3 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 16238 _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' . . 16238 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16238 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16238 _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' . . 16238 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16238 5 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16238 _Software.ID 6 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16238 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16238 6 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 16238 _Software.ID 7 _Software.Name PSVS _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 16238 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 16238 7 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 16238 _Software.ID 8 _Software.Name AutoAssign _Software.Version 2.3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 16238 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16238 8 stop_ save_ save_PDBStat _Software.Sf_category software _Software.Sf_framecode PDBStat _Software.Entry_ID 16238 _Software.ID 9 _Software.Name PDBStat _Software.Version 5.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(PDBStat) R. Tejero, G.T. Montelione' . . 16238 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16238 9 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 16238 _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_750 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_750 _NMR_spectrometer.Entry_ID 16238 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_850 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_850 _NMR_spectrometer.Entry_ID 16238 _NMR_spectrometer.ID 3 _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 16238 _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 . . . 16238 1 2 spectrometer_750 Varian INOVA . 750 . . . 16238 1 3 spectrometer_850 Bruker AvanceIII . 850 . . . 16238 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 16238 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_850 . . . . . . . . . . . . . . . . 16238 1 2 '2D 1H-13C HSQC' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_850 . . . . . . . . . . . . . . . . 16238 1 3 '3D 1H-15N NOESY' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_850 . . . . . . . . . . . . . . . . 16238 1 4 '3D 1H-13C NOESY (aliph)' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_850 . . . . . . . . . . . . . . . . 16238 1 5 '3D HNCO' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16238 1 6 '3D HNCA' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16238 1 7 '3D HN(CO)CA' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16238 1 8 '3D CBCA(CO)NH' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16238 1 9 '3D HNCACB' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16238 1 10 '3D C(CO)NH' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16238 1 11 '3D HBHA(CO)NH' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16238 1 12 '3D HCCH-TOCSY' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16238 1 13 '3D HCCH-COSY' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16238 1 14 '2D 1H-13C HSQC (aliph)' yes . . . . . . . . . . 2 $NC5_sample isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_850 . . . . . . . . . . . . . . . . 16238 1 15 '3D 1H-13C NOESY (arom)' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_850 . . . . . . . . . . . . . . . . 16238 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 16238 _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 . . . 1 $entry_citation . . 1 $entry_citation 16238 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 16238 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 16238 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 16238 _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' . . . 16238 1 3 '3D 1H-15N NOESY' . . . 16238 1 4 '3D 1H-13C NOESY (aliph)' . . . 16238 1 5 '3D HNCO' . . . 16238 1 15 '3D 1H-13C NOESY (arom)' . . . 16238 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 6 $SPARKY . . 16238 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 GLN HA H 1 4.36 0.02 . 1 . . . . 4 GLN HA . 16238 1 2 . 1 1 4 4 GLN HB2 H 1 1.96 0.02 . 2 . . . . 4 GLN HB2 . 16238 1 3 . 1 1 4 4 GLN HB3 H 1 2.12 0.02 . 2 . . . . 4 GLN HB3 . 16238 1 4 . 1 1 4 4 GLN HE21 H 1 7.26 0.02 . 2 . . . . 4 GLN HE21 . 16238 1 5 . 1 1 4 4 GLN HG2 H 1 2.34 0.02 . 2 . . . . 4 GLN HG2 . 16238 1 6 . 1 1 4 4 GLN HG3 H 1 2.34 0.02 . 2 . . . . 4 GLN HG3 . 16238 1 7 . 1 1 4 4 GLN C C 13 176.1 0.2 . 1 . . . . 4 GLN C . 16238 1 8 . 1 1 4 4 GLN CA C 13 56.0 0.2 . 1 . . . . 4 GLN CA . 16238 1 9 . 1 1 4 4 GLN CB C 13 29.3 0.2 . 1 . . . . 4 GLN CB . 16238 1 10 . 1 1 4 4 GLN CG C 13 33.8 0.2 . 1 . . . . 4 GLN CG . 16238 1 11 . 1 1 5 5 THR H H 1 8.28 0.02 . 1 . . . . 5 THR H . 16238 1 12 . 1 1 5 5 THR HA H 1 4.32 0.02 . 1 . . . . 5 THR HA . 16238 1 13 . 1 1 5 5 THR HB H 1 4.18 0.02 . 1 . . . . 5 THR HB . 16238 1 14 . 1 1 5 5 THR HG21 H 1 1.17 0.02 . 1 . . . . 5 THR HG2 . 16238 1 15 . 1 1 5 5 THR HG22 H 1 1.17 0.02 . 1 . . . . 5 THR HG2 . 16238 1 16 . 1 1 5 5 THR HG23 H 1 1.17 0.02 . 1 . . . . 5 THR HG2 . 16238 1 17 . 1 1 5 5 THR C C 13 174.3 0.2 . 1 . . . . 5 THR C . 16238 1 18 . 1 1 5 5 THR CA C 13 62.2 0.2 . 1 . . . . 5 THR CA . 16238 1 19 . 1 1 5 5 THR CB C 13 69.6 0.2 . 1 . . . . 5 THR CB . 16238 1 20 . 1 1 5 5 THR CG2 C 13 21.6 0.2 . 1 . . . . 5 THR CG2 . 16238 1 21 . 1 1 5 5 THR N N 15 115.7 0.2 . 1 . . . . 5 THR N . 16238 1 22 . 1 1 6 6 CYS H H 1 8.41 0.02 . 1 . . . . 6 CYS H . 16238 1 23 . 1 1 6 6 CYS HA H 1 4.54 0.02 . 1 . . . . 6 CYS HA . 16238 1 24 . 1 1 6 6 CYS HB2 H 1 2.90 0.02 . 2 . . . . 6 CYS HB2 . 16238 1 25 . 1 1 6 6 CYS HB3 H 1 2.90 0.02 . 2 . . . . 6 CYS HB3 . 16238 1 26 . 1 1 6 6 CYS C C 13 174.4 0.2 . 1 . . . . 6 CYS C . 16238 1 27 . 1 1 6 6 CYS CA C 13 58.2 0.2 . 1 . . . . 6 CYS CA . 16238 1 28 . 1 1 6 6 CYS CB C 13 27.8 0.2 . 1 . . . . 6 CYS CB . 16238 1 29 . 1 1 6 6 CYS N N 15 121.9 0.2 . 1 . . . . 6 CYS N . 16238 1 30 . 1 1 7 7 VAL H H 1 8.29 0.02 . 1 . . . . 7 VAL H . 16238 1 31 . 1 1 7 7 VAL HA H 1 4.09 0.02 . 1 . . . . 7 VAL HA . 16238 1 32 . 1 1 7 7 VAL HB H 1 2.05 0.02 . 1 . . . . 7 VAL HB . 16238 1 33 . 1 1 7 7 VAL HG11 H 1 0.89 0.02 . 2 . . . . 7 VAL HG1 . 16238 1 34 . 1 1 7 7 VAL HG12 H 1 0.89 0.02 . 2 . . . . 7 VAL HG1 . 16238 1 35 . 1 1 7 7 VAL HG13 H 1 0.89 0.02 . 2 . . . . 7 VAL HG1 . 16238 1 36 . 1 1 7 7 VAL HG21 H 1 0.89 0.02 . 2 . . . . 7 VAL HG2 . 16238 1 37 . 1 1 7 7 VAL HG22 H 1 0.89 0.02 . 2 . . . . 7 VAL HG2 . 16238 1 38 . 1 1 7 7 VAL HG23 H 1 0.89 0.02 . 2 . . . . 7 VAL HG2 . 16238 1 39 . 1 1 7 7 VAL C C 13 176.1 0.2 . 1 . . . . 7 VAL C . 16238 1 40 . 1 1 7 7 VAL CA C 13 62.4 0.2 . 1 . . . . 7 VAL CA . 16238 1 41 . 1 1 7 7 VAL CB C 13 32.5 0.2 . 1 . . . . 7 VAL CB . 16238 1 42 . 1 1 7 7 VAL CG1 C 13 20.9 0.02 . 2 . . . . 7 VAL CG1 . 16238 1 43 . 1 1 7 7 VAL CG2 C 13 20.9 0.02 . 2 . . . . 7 VAL CG2 . 16238 1 44 . 1 1 7 7 VAL N N 15 122.7 0.2 . 1 . . . . 7 VAL N . 16238 1 45 . 1 1 8 8 GLU H H 1 8.51 0.02 . 1 . . . . 8 GLU H . 16238 1 46 . 1 1 8 8 GLU HA H 1 4.24 0.02 . 1 . . . . 8 GLU HA . 16238 1 47 . 1 1 8 8 GLU HB2 H 1 1.90 0.02 . 2 . . . . 8 GLU HB2 . 16238 1 48 . 1 1 8 8 GLU HB3 H 1 2.02 0.02 . 2 . . . . 8 GLU HB3 . 16238 1 49 . 1 1 8 8 GLU HG2 H 1 2.23 0.02 . 2 . . . . 8 GLU HG2 . 16238 1 50 . 1 1 8 8 GLU HG3 H 1 2.23 0.02 . 2 . . . . 8 GLU HG3 . 16238 1 51 . 1 1 8 8 GLU C C 13 176.1 0.2 . 1 . . . . 8 GLU C . 16238 1 52 . 1 1 8 8 GLU CA C 13 56.9 0.2 . 1 . . . . 8 GLU CA . 16238 1 53 . 1 1 8 8 GLU CB C 13 30.1 0.2 . 1 . . . . 8 GLU CB . 16238 1 54 . 1 1 8 8 GLU CG C 13 36.2 0.2 . 1 . . . . 8 GLU CG . 16238 1 55 . 1 1 8 8 GLU N N 15 124.3 0.2 . 1 . . . . 8 GLU N . 16238 1 56 . 1 1 9 9 ASN H H 1 8.39 0.02 . 1 . . . . 9 ASN H . 16238 1 57 . 1 1 9 9 ASN HA H 1 4.65 0.02 . 1 . . . . 9 ASN HA . 16238 1 58 . 1 1 9 9 ASN HB2 H 1 2.71 0.02 . 2 . . . . 9 ASN HB2 . 16238 1 59 . 1 1 9 9 ASN HB3 H 1 2.78 0.02 . 2 . . . . 9 ASN HB3 . 16238 1 60 . 1 1 9 9 ASN HD21 H 1 7.59 0.02 . 1 . . . . 9 ASN HD21 . 16238 1 61 . 1 1 9 9 ASN HD22 H 1 6.89 0.02 . 1 . . . . 9 ASN HD22 . 16238 1 62 . 1 1 9 9 ASN C C 13 174.9 0.2 . 1 . . . . 9 ASN C . 16238 1 63 . 1 1 9 9 ASN CA C 13 53.4 0.2 . 1 . . . . 9 ASN CA . 16238 1 64 . 1 1 9 9 ASN CB C 13 39.0 0.2 . 1 . . . . 9 ASN CB . 16238 1 65 . 1 1 9 9 ASN CG C 13 176.9 0.2 . 1 . . . . 9 ASN CG . 16238 1 66 . 1 1 9 9 ASN N N 15 119.3 0.2 . 1 . . . . 9 ASN N . 16238 1 67 . 1 1 9 9 ASN ND2 N 15 113.0 0.2 . 1 . . . . 9 ASN ND2 . 16238 1 68 . 1 1 10 10 GLU H H 1 8.33 0.02 . 1 . . . . 10 GLU H . 16238 1 69 . 1 1 10 10 GLU HA H 1 4.25 0.02 . 1 . . . . 10 GLU HA . 16238 1 70 . 1 1 10 10 GLU HB2 H 1 1.91 0.02 . 2 . . . . 10 GLU HB2 . 16238 1 71 . 1 1 10 10 GLU HB3 H 1 2.01 0.02 . 2 . . . . 10 GLU HB3 . 16238 1 72 . 1 1 10 10 GLU HG2 H 1 2.20 0.02 . 2 . . . . 10 GLU HG2 . 16238 1 73 . 1 1 10 10 GLU HG3 H 1 2.20 0.02 . 2 . . . . 10 GLU HG3 . 16238 1 74 . 1 1 10 10 GLU C C 13 176.4 0.2 . 1 . . . . 10 GLU C . 16238 1 75 . 1 1 10 10 GLU CA C 13 56.8 0.2 . 1 . . . . 10 GLU CA . 16238 1 76 . 1 1 10 10 GLU CB C 13 30.2 0.2 . 1 . . . . 10 GLU CB . 16238 1 77 . 1 1 10 10 GLU CG C 13 36.1 0.2 . 1 . . . . 10 GLU CG . 16238 1 78 . 1 1 10 10 GLU N N 15 121.4 0.2 . 1 . . . . 10 GLU N . 16238 1 79 . 1 1 11 11 VAL H H 1 8.25 0.02 . 1 . . . . 11 VAL H . 16238 1 80 . 1 1 11 11 VAL HA H 1 4.09 0.02 . 1 . . . . 11 VAL HA . 16238 1 81 . 1 1 11 11 VAL HB H 1 2.04 0.02 . 1 . . . . 11 VAL HB . 16238 1 82 . 1 1 11 11 VAL HG11 H 1 0.89 0.02 . 2 . . . . 11 VAL HG1 . 16238 1 83 . 1 1 11 11 VAL HG12 H 1 0.89 0.02 . 2 . . . . 11 VAL HG1 . 16238 1 84 . 1 1 11 11 VAL HG13 H 1 0.89 0.02 . 2 . . . . 11 VAL HG1 . 16238 1 85 . 1 1 11 11 VAL HG21 H 1 0.89 0.02 . 2 . . . . 11 VAL HG2 . 16238 1 86 . 1 1 11 11 VAL HG22 H 1 0.89 0.02 . 2 . . . . 11 VAL HG2 . 16238 1 87 . 1 1 11 11 VAL HG23 H 1 0.89 0.02 . 2 . . . . 11 VAL HG2 . 16238 1 88 . 1 1 11 11 VAL C C 13 176.1 0.2 . 1 . . . . 11 VAL C . 16238 1 89 . 1 1 11 11 VAL CA C 13 62.4 0.2 . 1 . . . . 11 VAL CA . 16238 1 90 . 1 1 11 11 VAL CB C 13 32.5 0.2 . 1 . . . . 11 VAL CB . 16238 1 91 . 1 1 11 11 VAL CG1 C 13 21.1 0.02 . 2 . . . . 11 VAL CG1 . 16238 1 92 . 1 1 11 11 VAL CG2 C 13 21.1 0.02 . 2 . . . . 11 VAL CG2 . 16238 1 93 . 1 1 11 11 VAL N N 15 121.9 0.2 . 1 . . . . 11 VAL N . 16238 1 94 . 1 1 12 12 CYS H H 1 8.45 0.02 . 1 . . . . 12 CYS H . 16238 1 95 . 1 1 12 12 CYS HA H 1 4.50 0.02 . 1 . . . . 12 CYS HA . 16238 1 96 . 1 1 12 12 CYS HB2 H 1 2.87 0.02 . 2 . . . . 12 CYS HB2 . 16238 1 97 . 1 1 12 12 CYS HB3 H 1 2.87 0.02 . 2 . . . . 12 CYS HB3 . 16238 1 98 . 1 1 12 12 CYS C C 13 174.4 0.2 . 1 . . . . 12 CYS C . 16238 1 99 . 1 1 12 12 CYS CA C 13 58.3 0.2 . 1 . . . . 12 CYS CA . 16238 1 100 . 1 1 12 12 CYS CB C 13 28.0 0.2 . 1 . . . . 12 CYS CB . 16238 1 101 . 1 1 12 12 CYS N N 15 123.8 0.2 . 1 . . . . 12 CYS N . 16238 1 102 . 1 1 13 13 GLU H H 1 8.56 0.02 . 1 . . . . 13 GLU H . 16238 1 103 . 1 1 13 13 GLU HA H 1 4.26 0.02 . 1 . . . . 13 GLU HA . 16238 1 104 . 1 1 13 13 GLU HB2 H 1 1.90 0.02 . 2 . . . . 13 GLU HB2 . 16238 1 105 . 1 1 13 13 GLU HB3 H 1 2.01 0.02 . 2 . . . . 13 GLU HB3 . 16238 1 106 . 1 1 13 13 GLU HG2 H 1 2.24 0.02 . 2 . . . . 13 GLU HG2 . 16238 1 107 . 1 1 13 13 GLU HG3 H 1 2.24 0.02 . 2 . . . . 13 GLU HG3 . 16238 1 108 . 1 1 13 13 GLU C C 13 176.1 0.2 . 1 . . . . 13 GLU C . 16238 1 109 . 1 1 13 13 GLU CA C 13 56.7 0.2 . 1 . . . . 13 GLU CA . 16238 1 110 . 1 1 13 13 GLU CB C 13 30.2 0.2 . 1 . . . . 13 GLU CB . 16238 1 111 . 1 1 13 13 GLU CG C 13 36.1 0.2 . 1 . . . . 13 GLU CG . 16238 1 112 . 1 1 13 13 GLU N N 15 124.1 0.2 . 1 . . . . 13 GLU N . 16238 1 113 . 1 1 14 14 ALA H H 1 8.40 0.02 . 1 . . . . 14 ALA H . 16238 1 114 . 1 1 14 14 ALA HA H 1 4.35 0.02 . 1 . . . . 14 ALA HA . 16238 1 115 . 1 1 14 14 ALA HB1 H 1 1.37 0.02 . 1 . . . . 14 ALA HB . 16238 1 116 . 1 1 14 14 ALA HB2 H 1 1.37 0.02 . 1 . . . . 14 ALA HB . 16238 1 117 . 1 1 14 14 ALA HB3 H 1 1.37 0.02 . 1 . . . . 14 ALA HB . 16238 1 118 . 1 1 14 14 ALA C C 13 177.7 0.2 . 1 . . . . 14 ALA C . 16238 1 119 . 1 1 14 14 ALA CA C 13 52.6 0.2 . 1 . . . . 14 ALA CA . 16238 1 120 . 1 1 14 14 ALA CB C 13 19.1 0.2 . 1 . . . . 14 ALA CB . 16238 1 121 . 1 1 14 14 ALA N N 15 125.4 0.2 . 1 . . . . 14 ALA N . 16238 1 122 . 1 1 15 15 CYS H H 1 8.37 0.02 . 1 . . . . 15 CYS H . 16238 1 123 . 1 1 15 15 CYS HA H 1 4.49 0.02 . 1 . . . . 15 CYS HA . 16238 1 124 . 1 1 15 15 CYS HB2 H 1 2.91 0.02 . 2 . . . . 15 CYS HB2 . 16238 1 125 . 1 1 15 15 CYS HB3 H 1 2.91 0.02 . 2 . . . . 15 CYS HB3 . 16238 1 126 . 1 1 15 15 CYS C C 13 175.1 0.2 . 1 . . . . 15 CYS C . 16238 1 127 . 1 1 15 15 CYS CA C 13 58.4 0.2 . 1 . . . . 15 CYS CA . 16238 1 128 . 1 1 15 15 CYS CB C 13 28.0 0.2 . 1 . . . . 15 CYS CB . 16238 1 129 . 1 1 15 15 CYS N N 15 118.5 0.2 . 1 . . . . 15 CYS N . 16238 1 130 . 1 1 16 16 GLY H H 1 8.48 0.02 . 1 . . . . 16 GLY H . 16238 1 131 . 1 1 16 16 GLY HA2 H 1 3.97 0.02 . 2 . . . . 16 GLY HA2 . 16238 1 132 . 1 1 16 16 GLY HA3 H 1 3.97 0.02 . 2 . . . . 16 GLY HA3 . 16238 1 133 . 1 1 16 16 GLY C C 13 174.1 0.2 . 1 . . . . 16 GLY C . 16238 1 134 . 1 1 16 16 GLY CA C 13 45.4 0.2 . 1 . . . . 16 GLY CA . 16238 1 135 . 1 1 16 16 GLY N N 15 111.3 0.2 . 1 . . . . 16 GLY N . 16238 1 136 . 1 1 17 17 CYS H H 1 8.30 0.02 . 1 . . . . 17 CYS H . 16238 1 137 . 1 1 17 17 CYS HA H 1 4.50 0.02 . 1 . . . . 17 CYS HA . 16238 1 138 . 1 1 17 17 CYS HB2 H 1 2.89 0.02 . 2 . . . . 17 CYS HB2 . 16238 1 139 . 1 1 17 17 CYS HB3 H 1 2.89 0.02 . 2 . . . . 17 CYS HB3 . 16238 1 140 . 1 1 17 17 CYS C C 13 174.5 0.2 . 1 . . . . 17 CYS C . 16238 1 141 . 1 1 17 17 CYS CA C 13 58.3 0.2 . 1 . . . . 17 CYS CA . 16238 1 142 . 1 1 17 17 CYS CB C 13 28.1 0.2 . 1 . . . . 17 CYS CB . 16238 1 143 . 1 1 17 17 CYS N N 15 118.9 0.2 . 1 . . . . 17 CYS N . 16238 1 144 . 1 1 18 18 ALA H H 1 8.52 0.02 . 1 . . . . 18 ALA H . 16238 1 145 . 1 1 18 18 ALA HA H 1 4.26 0.02 . 1 . . . . 18 ALA HA . 16238 1 146 . 1 1 18 18 ALA HB1 H 1 1.36 0.02 . 1 . . . . 18 ALA HB . 16238 1 147 . 1 1 18 18 ALA HB2 H 1 1.36 0.02 . 1 . . . . 18 ALA HB . 16238 1 148 . 1 1 18 18 ALA HB3 H 1 1.36 0.02 . 1 . . . . 18 ALA HB . 16238 1 149 . 1 1 18 18 ALA C C 13 178.0 0.2 . 1 . . . . 18 ALA C . 16238 1 150 . 1 1 18 18 ALA CA C 13 52.9 0.2 . 1 . . . . 18 ALA CA . 16238 1 151 . 1 1 18 18 ALA CB C 13 19.0 0.2 . 1 . . . . 18 ALA CB . 16238 1 152 . 1 1 18 18 ALA N N 15 126.8 0.2 . 1 . . . . 18 ALA N . 16238 1 153 . 1 1 19 19 GLY H H 1 8.31 0.02 . 1 . . . . 19 GLY H . 16238 1 154 . 1 1 19 19 GLY HA2 H 1 3.89 0.02 . 2 . . . . 19 GLY HA2 . 16238 1 155 . 1 1 19 19 GLY HA3 H 1 3.89 0.02 . 2 . . . . 19 GLY HA3 . 16238 1 156 . 1 1 19 19 GLY C C 13 174.0 0.2 . 1 . . . . 19 GLY C . 16238 1 157 . 1 1 19 19 GLY CA C 13 45.0 0.2 . 1 . . . . 19 GLY CA . 16238 1 158 . 1 1 19 19 GLY N N 15 108.1 0.2 . 1 . . . . 19 GLY N . 16238 1 159 . 1 1 20 20 GLU H H 1 8.18 0.02 . 1 . . . . 20 GLU H . 16238 1 160 . 1 1 20 20 GLU HA H 1 4.27 0.02 . 1 . . . . 20 GLU HA . 16238 1 161 . 1 1 20 20 GLU HB2 H 1 1.88 0.02 . 2 . . . . 20 GLU HB2 . 16238 1 162 . 1 1 20 20 GLU HB3 H 1 1.99 0.02 . 2 . . . . 20 GLU HB3 . 16238 1 163 . 1 1 20 20 GLU HG2 H 1 2.17 0.02 . 2 . . . . 20 GLU HG2 . 16238 1 164 . 1 1 20 20 GLU HG3 H 1 2.17 0.02 . 2 . . . . 20 GLU HG3 . 16238 1 165 . 1 1 20 20 GLU C C 13 176.4 0.2 . 1 . . . . 20 GLU C . 16238 1 166 . 1 1 20 20 GLU CA C 13 56.2 0.2 . 1 . . . . 20 GLU CA . 16238 1 167 . 1 1 20 20 GLU CB C 13 30.1 0.2 . 1 . . . . 20 GLU CB . 16238 1 168 . 1 1 20 20 GLU CG C 13 36.0 0.2 . 1 . . . . 20 GLU CG . 16238 1 169 . 1 1 20 20 GLU N N 15 120.5 0.2 . 1 . . . . 20 GLU N . 16238 1 170 . 1 1 21 21 ILE H H 1 8.16 0.02 . 1 . . . . 21 ILE H . 16238 1 171 . 1 1 21 21 ILE HA H 1 4.02 0.02 . 1 . . . . 21 ILE HA . 16238 1 172 . 1 1 21 21 ILE HB H 1 1.72 0.02 . 1 . . . . 21 ILE HB . 16238 1 173 . 1 1 21 21 ILE HD11 H 1 0.67 0.02 . 1 . . . . 21 ILE HD1 . 16238 1 174 . 1 1 21 21 ILE HD12 H 1 0.67 0.02 . 1 . . . . 21 ILE HD1 . 16238 1 175 . 1 1 21 21 ILE HD13 H 1 0.67 0.02 . 1 . . . . 21 ILE HD1 . 16238 1 176 . 1 1 21 21 ILE HG12 H 1 1.03 0.02 . 2 . . . . 21 ILE HG12 . 16238 1 177 . 1 1 21 21 ILE HG13 H 1 1.30 0.02 . 2 . . . . 21 ILE HG13 . 16238 1 178 . 1 1 21 21 ILE HG21 H 1 0.64 0.02 . 1 . . . . 21 ILE HG2 . 16238 1 179 . 1 1 21 21 ILE HG22 H 1 0.64 0.02 . 1 . . . . 21 ILE HG2 . 16238 1 180 . 1 1 21 21 ILE HG23 H 1 0.64 0.02 . 1 . . . . 21 ILE HG2 . 16238 1 181 . 1 1 21 21 ILE C C 13 176.4 0.2 . 1 . . . . 21 ILE C . 16238 1 182 . 1 1 21 21 ILE CA C 13 61.2 0.2 . 1 . . . . 21 ILE CA . 16238 1 183 . 1 1 21 21 ILE CB C 13 38.2 0.2 . 1 . . . . 21 ILE CB . 16238 1 184 . 1 1 21 21 ILE CD1 C 13 12.8 0.2 . 1 . . . . 21 ILE CD1 . 16238 1 185 . 1 1 21 21 ILE CG1 C 13 27.2 0.2 . 1 . . . . 21 ILE CG1 . 16238 1 186 . 1 1 21 21 ILE CG2 C 13 17.5 0.2 . 1 . . . . 21 ILE CG2 . 16238 1 187 . 1 1 21 21 ILE N N 15 122.0 0.2 . 1 . . . . 21 ILE N . 16238 1 188 . 1 1 22 22 GLY H H 1 8.26 0.02 . 1 . . . . 22 GLY H . 16238 1 189 . 1 1 22 22 GLY HA2 H 1 3.74 0.02 . 2 . . . . 22 GLY HA2 . 16238 1 190 . 1 1 22 22 GLY HA3 H 1 3.88 0.02 . 2 . . . . 22 GLY HA3 . 16238 1 191 . 1 1 22 22 GLY C C 13 173.2 0.2 . 1 . . . . 22 GLY C . 16238 1 192 . 1 1 22 22 GLY CA C 13 45.1 0.2 . 1 . . . . 22 GLY CA . 16238 1 193 . 1 1 22 22 GLY N N 15 112.5 0.2 . 1 . . . . 22 GLY N . 16238 1 194 . 1 1 23 23 PHE H H 1 7.89 0.02 . 1 . . . . 23 PHE H . 16238 1 195 . 1 1 23 23 PHE HA H 1 4.55 0.02 . 1 . . . . 23 PHE HA . 16238 1 196 . 1 1 23 23 PHE HB2 H 1 2.65 0.02 . 2 . . . . 23 PHE HB2 . 16238 1 197 . 1 1 23 23 PHE HB3 H 1 3.16 0.02 . 2 . . . . 23 PHE HB3 . 16238 1 198 . 1 1 23 23 PHE HD1 H 1 7.12 0.02 . 3 . . . . 23 PHE HD1 . 16238 1 199 . 1 1 23 23 PHE HD2 H 1 7.12 0.02 . 3 . . . . 23 PHE HD2 . 16238 1 200 . 1 1 23 23 PHE HE1 H 1 6.93 0.02 . 3 . . . . 23 PHE HE1 . 16238 1 201 . 1 1 23 23 PHE HE2 H 1 6.93 0.02 . 3 . . . . 23 PHE HE2 . 16238 1 202 . 1 1 23 23 PHE CA C 13 58.1 0.2 . 1 . . . . 23 PHE CA . 16238 1 203 . 1 1 23 23 PHE CB C 13 41.2 0.2 . 1 . . . . 23 PHE CB . 16238 1 204 . 1 1 23 23 PHE CD1 C 13 131.8 0.02 . 3 . . . . 23 PHE CD1 . 16238 1 205 . 1 1 23 23 PHE CD2 C 13 131.8 0.02 . 3 . . . . 23 PHE CD2 . 16238 1 206 . 1 1 23 23 PHE N N 15 119.7 0.2 . 1 . . . . 23 PHE N . 16238 1 207 . 1 1 24 24 ILE HA H 1 3.97 0.02 . 1 . . . . 24 ILE HA . 16238 1 208 . 1 1 24 24 ILE HB H 1 1.99 0.02 . 1 . . . . 24 ILE HB . 16238 1 209 . 1 1 24 24 ILE HD11 H 1 0.76 0.02 . 1 . . . . 24 ILE HD1 . 16238 1 210 . 1 1 24 24 ILE HD12 H 1 0.76 0.02 . 1 . . . . 24 ILE HD1 . 16238 1 211 . 1 1 24 24 ILE HD13 H 1 0.76 0.02 . 1 . . . . 24 ILE HD1 . 16238 1 212 . 1 1 24 24 ILE HG12 H 1 1.20 0.02 . 2 . . . . 24 ILE HG12 . 16238 1 213 . 1 1 24 24 ILE HG13 H 1 1.46 0.02 . 2 . . . . 24 ILE HG13 . 16238 1 214 . 1 1 24 24 ILE HG21 H 1 0.80 0.02 . 1 . . . . 24 ILE HG2 . 16238 1 215 . 1 1 24 24 ILE HG22 H 1 0.80 0.02 . 1 . . . . 24 ILE HG2 . 16238 1 216 . 1 1 24 24 ILE HG23 H 1 0.80 0.02 . 1 . . . . 24 ILE HG2 . 16238 1 217 . 1 1 24 24 ILE CA C 13 62.4 0.2 . 1 . . . . 24 ILE CA . 16238 1 218 . 1 1 24 24 ILE CB C 13 37.7 0.2 . 1 . . . . 24 ILE CB . 16238 1 219 . 1 1 24 24 ILE CD1 C 13 12.2 0.2 . 1 . . . . 24 ILE CD1 . 16238 1 220 . 1 1 24 24 ILE CG1 C 13 27.9 0.2 . 1 . . . . 24 ILE CG1 . 16238 1 221 . 1 1 24 24 ILE CG2 C 13 17.5 0.2 . 1 . . . . 24 ILE CG2 . 16238 1 222 . 1 1 25 25 ILE H H 1 8.95 0.02 . 1 . . . . 25 ILE H . 16238 1 223 . 1 1 25 25 ILE HA H 1 3.74 0.02 . 1 . . . . 25 ILE HA . 16238 1 224 . 1 1 25 25 ILE HB H 1 1.49 0.02 . 1 . . . . 25 ILE HB . 16238 1 225 . 1 1 25 25 ILE HD11 H 1 0.58 0.02 . 1 . . . . 25 ILE HD1 . 16238 1 226 . 1 1 25 25 ILE HD12 H 1 0.58 0.02 . 1 . . . . 25 ILE HD1 . 16238 1 227 . 1 1 25 25 ILE HD13 H 1 0.58 0.02 . 1 . . . . 25 ILE HD1 . 16238 1 228 . 1 1 25 25 ILE HG12 H 1 0.85 0.02 . 2 . . . . 25 ILE HG12 . 16238 1 229 . 1 1 25 25 ILE HG13 H 1 1.67 0.02 . 2 . . . . 25 ILE HG13 . 16238 1 230 . 1 1 25 25 ILE HG21 H 1 0.69 0.02 . 1 . . . . 25 ILE HG2 . 16238 1 231 . 1 1 25 25 ILE HG22 H 1 0.69 0.02 . 1 . . . . 25 ILE HG2 . 16238 1 232 . 1 1 25 25 ILE HG23 H 1 0.69 0.02 . 1 . . . . 25 ILE HG2 . 16238 1 233 . 1 1 25 25 ILE C C 13 175.2 0.2 . 1 . . . . 25 ILE C . 16238 1 234 . 1 1 25 25 ILE CA C 13 62.7 0.2 . 1 . . . . 25 ILE CA . 16238 1 235 . 1 1 25 25 ILE CB C 13 38.2 0.2 . 1 . . . . 25 ILE CB . 16238 1 236 . 1 1 25 25 ILE CD1 C 13 13.4 0.2 . 1 . . . . 25 ILE CD1 . 16238 1 237 . 1 1 25 25 ILE CG1 C 13 27.9 0.2 . 1 . . . . 25 ILE CG1 . 16238 1 238 . 1 1 25 25 ILE CG2 C 13 18.8 0.2 . 1 . . . . 25 ILE CG2 . 16238 1 239 . 1 1 25 25 ILE N N 15 124.8 0.2 . 1 . . . . 25 ILE N . 16238 1 240 . 1 1 26 26 ARG H H 1 8.04 0.02 . 1 . . . . 26 ARG H . 16238 1 241 . 1 1 26 26 ARG HA H 1 4.14 0.02 . 1 . . . . 26 ARG HA . 16238 1 242 . 1 1 26 26 ARG HB2 H 1 1.71 0.02 . 2 . . . . 26 ARG HB2 . 16238 1 243 . 1 1 26 26 ARG HB3 H 1 1.87 0.02 . 2 . . . . 26 ARG HB3 . 16238 1 244 . 1 1 26 26 ARG HD2 H 1 3.18 0.02 . 2 . . . . 26 ARG HD2 . 16238 1 245 . 1 1 26 26 ARG HD3 H 1 3.18 0.02 . 2 . . . . 26 ARG HD3 . 16238 1 246 . 1 1 26 26 ARG HG2 H 1 1.68 0.02 . 2 . . . . 26 ARG HG2 . 16238 1 247 . 1 1 26 26 ARG HG3 H 1 1.68 0.02 . 2 . . . . 26 ARG HG3 . 16238 1 248 . 1 1 26 26 ARG C C 13 175.9 0.2 . 1 . . . . 26 ARG C . 16238 1 249 . 1 1 26 26 ARG CA C 13 55.3 0.2 . 1 . . . . 26 ARG CA . 16238 1 250 . 1 1 26 26 ARG CB C 13 31.1 0.2 . 1 . . . . 26 ARG CB . 16238 1 251 . 1 1 26 26 ARG CD C 13 43.0 0.2 . 1 . . . . 26 ARG CD . 16238 1 252 . 1 1 26 26 ARG CG C 13 27.0 0.2 . 1 . . . . 26 ARG CG . 16238 1 253 . 1 1 26 26 ARG N N 15 128.1 0.2 . 1 . . . . 26 ARG N . 16238 1 254 . 1 1 27 27 GLU H H 1 8.56 0.02 . 1 . . . . 27 GLU H . 16238 1 255 . 1 1 27 27 GLU HA H 1 4.03 0.02 . 1 . . . . 27 GLU HA . 16238 1 256 . 1 1 27 27 GLU HB2 H 1 1.92 0.02 . 2 . . . . 27 GLU HB2 . 16238 1 257 . 1 1 27 27 GLU HB3 H 1 1.92 0.02 . 2 . . . . 27 GLU HB3 . 16238 1 258 . 1 1 27 27 GLU HG2 H 1 2.19 0.02 . 2 . . . . 27 GLU HG2 . 16238 1 259 . 1 1 27 27 GLU HG3 H 1 2.19 0.02 . 2 . . . . 27 GLU HG3 . 16238 1 260 . 1 1 27 27 GLU C C 13 176.3 0.2 . 1 . . . . 27 GLU C . 16238 1 261 . 1 1 27 27 GLU CA C 13 57.0 0.2 . 1 . . . . 27 GLU CA . 16238 1 262 . 1 1 27 27 GLU CB C 13 30.0 0.2 . 1 . . . . 27 GLU CB . 16238 1 263 . 1 1 27 27 GLU CG C 13 36.2 0.2 . 1 . . . . 27 GLU CG . 16238 1 264 . 1 1 27 27 GLU N N 15 123.5 0.2 . 1 . . . . 27 GLU N . 16238 1 265 . 1 1 28 28 GLY H H 1 8.42 0.02 . 1 . . . . 28 GLY H . 16238 1 266 . 1 1 28 28 GLY HA2 H 1 4.05 0.02 . 2 . . . . 28 GLY HA2 . 16238 1 267 . 1 1 28 28 GLY HA3 H 1 4.22 0.02 . 2 . . . . 28 GLY HA3 . 16238 1 268 . 1 1 28 28 GLY C C 13 174.0 0.2 . 1 . . . . 28 GLY C . 16238 1 269 . 1 1 28 28 GLY CA C 13 45.4 0.2 . 1 . . . . 28 GLY CA . 16238 1 270 . 1 1 28 28 GLY N N 15 108.3 0.2 . 1 . . . . 28 GLY N . 16238 1 271 . 1 1 29 29 ASP H H 1 8.69 0.02 . 1 . . . . 29 ASP H . 16238 1 272 . 1 1 29 29 ASP HA H 1 4.43 0.02 . 1 . . . . 29 ASP HA . 16238 1 273 . 1 1 29 29 ASP HB2 H 1 2.68 0.02 . 2 . . . . 29 ASP HB2 . 16238 1 274 . 1 1 29 29 ASP HB3 H 1 2.68 0.02 . 2 . . . . 29 ASP HB3 . 16238 1 275 . 1 1 29 29 ASP C C 13 175.2 0.2 . 1 . . . . 29 ASP C . 16238 1 276 . 1 1 29 29 ASP CA C 13 56.3 0.2 . 1 . . . . 29 ASP CA . 16238 1 277 . 1 1 29 29 ASP CB C 13 40.3 0.2 . 1 . . . . 29 ASP CB . 16238 1 278 . 1 1 29 29 ASP N N 15 119.8 0.2 . 1 . . . . 29 ASP N . 16238 1 279 . 1 1 30 30 ASP H H 1 8.63 0.02 . 1 . . . . 30 ASP H . 16238 1 280 . 1 1 30 30 ASP HA H 1 4.26 0.02 . 1 . . . . 30 ASP HA . 16238 1 281 . 1 1 30 30 ASP HB2 H 1 2.16 0.02 . 2 . . . . 30 ASP HB2 . 16238 1 282 . 1 1 30 30 ASP HB3 H 1 2.99 0.02 . 2 . . . . 30 ASP HB3 . 16238 1 283 . 1 1 30 30 ASP C C 13 174.3 0.2 . 1 . . . . 30 ASP C . 16238 1 284 . 1 1 30 30 ASP CA C 13 52.6 0.2 . 1 . . . . 30 ASP CA . 16238 1 285 . 1 1 30 30 ASP CB C 13 39.2 0.2 . 1 . . . . 30 ASP CB . 16238 1 286 . 1 1 30 30 ASP N N 15 114.9 0.2 . 1 . . . . 30 ASP N . 16238 1 287 . 1 1 31 31 VAL H H 1 7.55 0.02 . 1 . . . . 31 VAL H . 16238 1 288 . 1 1 31 31 VAL HA H 1 5.30 0.02 . 1 . . . . 31 VAL HA . 16238 1 289 . 1 1 31 31 VAL HB H 1 1.99 0.02 . 1 . . . . 31 VAL HB . 16238 1 290 . 1 1 31 31 VAL HG11 H 1 0.65 0.02 . 1 . . . . 31 VAL HG1 . 16238 1 291 . 1 1 31 31 VAL HG12 H 1 0.65 0.02 . 1 . . . . 31 VAL HG1 . 16238 1 292 . 1 1 31 31 VAL HG13 H 1 0.65 0.02 . 1 . . . . 31 VAL HG1 . 16238 1 293 . 1 1 31 31 VAL HG21 H 1 0.91 0.02 . 1 . . . . 31 VAL HG2 . 16238 1 294 . 1 1 31 31 VAL HG22 H 1 0.91 0.02 . 1 . . . . 31 VAL HG2 . 16238 1 295 . 1 1 31 31 VAL HG23 H 1 0.91 0.02 . 1 . . . . 31 VAL HG2 . 16238 1 296 . 1 1 31 31 VAL C C 13 175.8 0.2 . 1 . . . . 31 VAL C . 16238 1 297 . 1 1 31 31 VAL CA C 13 60.7 0.2 . 1 . . . . 31 VAL CA . 16238 1 298 . 1 1 31 31 VAL CB C 13 35.0 0.2 . 1 . . . . 31 VAL CB . 16238 1 299 . 1 1 31 31 VAL CG1 C 13 21.1 0.02 . 1 . . . . 31 VAL CG1 . 16238 1 300 . 1 1 31 31 VAL CG2 C 13 21.3 0.02 . 1 . . . . 31 VAL CG2 . 16238 1 301 . 1 1 31 31 VAL N N 15 120.5 0.2 . 1 . . . . 31 VAL N . 16238 1 302 . 1 1 32 32 ALA H H 1 9.58 0.02 . 1 . . . . 32 ALA H . 16238 1 303 . 1 1 32 32 ALA HA H 1 5.03 0.02 . 1 . . . . 32 ALA HA . 16238 1 304 . 1 1 32 32 ALA HB1 H 1 1.84 0.02 . 1 . . . . 32 ALA HB . 16238 1 305 . 1 1 32 32 ALA HB2 H 1 1.84 0.02 . 1 . . . . 32 ALA HB . 16238 1 306 . 1 1 32 32 ALA HB3 H 1 1.84 0.02 . 1 . . . . 32 ALA HB . 16238 1 307 . 1 1 32 32 ALA C C 13 175.8 0.2 . 1 . . . . 32 ALA C . 16238 1 308 . 1 1 32 32 ALA CA C 13 50.0 0.2 . 1 . . . . 32 ALA CA . 16238 1 309 . 1 1 32 32 ALA CB C 13 22.8 0.2 . 1 . . . . 32 ALA CB . 16238 1 310 . 1 1 32 32 ALA N N 15 130.5 0.2 . 1 . . . . 32 ALA N . 16238 1 311 . 1 1 33 33 GLU H H 1 9.27 0.02 . 1 . . . . 33 GLU H . 16238 1 312 . 1 1 33 33 GLU HA H 1 5.14 0.02 . 1 . . . . 33 GLU HA . 16238 1 313 . 1 1 33 33 GLU HB2 H 1 1.95 0.02 . 2 . . . . 33 GLU HB2 . 16238 1 314 . 1 1 33 33 GLU HB3 H 1 2.10 0.02 . 2 . . . . 33 GLU HB3 . 16238 1 315 . 1 1 33 33 GLU HG2 H 1 2.14 0.02 . 2 . . . . 33 GLU HG2 . 16238 1 316 . 1 1 33 33 GLU HG3 H 1 2.22 0.02 . 2 . . . . 33 GLU HG3 . 16238 1 317 . 1 1 33 33 GLU C C 13 175.9 0.2 . 1 . . . . 33 GLU C . 16238 1 318 . 1 1 33 33 GLU CA C 13 55.3 0.2 . 1 . . . . 33 GLU CA . 16238 1 319 . 1 1 33 33 GLU CB C 13 31.5 0.2 . 1 . . . . 33 GLU CB . 16238 1 320 . 1 1 33 33 GLU CG C 13 36.5 0.2 . 1 . . . . 33 GLU CG . 16238 1 321 . 1 1 33 33 GLU N N 15 124.5 0.2 . 1 . . . . 33 GLU N . 16238 1 322 . 1 1 34 34 VAL H H 1 9.14 0.02 . 1 . . . . 34 VAL H . 16238 1 323 . 1 1 34 34 VAL HA H 1 4.58 0.02 . 1 . . . . 34 VAL HA . 16238 1 324 . 1 1 34 34 VAL HB H 1 1.86 0.02 . 1 . . . . 34 VAL HB . 16238 1 325 . 1 1 34 34 VAL HG11 H 1 0.57 0.02 . 1 . . . . 34 VAL HG1 . 16238 1 326 . 1 1 34 34 VAL HG12 H 1 0.57 0.02 . 1 . . . . 34 VAL HG1 . 16238 1 327 . 1 1 34 34 VAL HG13 H 1 0.57 0.02 . 1 . . . . 34 VAL HG1 . 16238 1 328 . 1 1 34 34 VAL HG21 H 1 1.00 0.02 . 1 . . . . 34 VAL HG2 . 16238 1 329 . 1 1 34 34 VAL HG22 H 1 1.00 0.02 . 1 . . . . 34 VAL HG2 . 16238 1 330 . 1 1 34 34 VAL HG23 H 1 1.00 0.02 . 1 . . . . 34 VAL HG2 . 16238 1 331 . 1 1 34 34 VAL C C 13 174.3 0.2 . 1 . . . . 34 VAL C . 16238 1 332 . 1 1 34 34 VAL CA C 13 60.8 0.2 . 1 . . . . 34 VAL CA . 16238 1 333 . 1 1 34 34 VAL CB C 13 35.7 0.2 . 1 . . . . 34 VAL CB . 16238 1 334 . 1 1 34 34 VAL CG1 C 13 20.5 0.02 . 1 . . . . 34 VAL CG1 . 16238 1 335 . 1 1 34 34 VAL CG2 C 13 21.2 0.02 . 1 . . . . 34 VAL CG2 . 16238 1 336 . 1 1 34 34 VAL N N 15 124.7 0.2 . 1 . . . . 34 VAL N . 16238 1 337 . 1 1 35 35 SER H H 1 8.45 0.02 . 1 . . . . 35 SER H . 16238 1 338 . 1 1 35 35 SER HA H 1 5.06 0.02 . 1 . . . . 35 SER HA . 16238 1 339 . 1 1 35 35 SER HB2 H 1 3.54 0.02 . 2 . . . . 35 SER HB2 . 16238 1 340 . 1 1 35 35 SER HB3 H 1 3.65 0.02 . 2 . . . . 35 SER HB3 . 16238 1 341 . 1 1 35 35 SER C C 13 172.1 0.2 . 1 . . . . 35 SER C . 16238 1 342 . 1 1 35 35 SER CA C 13 56.9 0.2 . 1 . . . . 35 SER CA . 16238 1 343 . 1 1 35 35 SER CB C 13 64.8 0.2 . 1 . . . . 35 SER CB . 16238 1 344 . 1 1 35 35 SER N N 15 122.1 0.2 . 1 . . . . 35 SER N . 16238 1 345 . 1 1 36 36 LEU H H 1 8.54 0.02 . 1 . . . . 36 LEU H . 16238 1 346 . 1 1 36 36 LEU HA H 1 4.57 0.02 . 1 . . . . 36 LEU HA . 16238 1 347 . 1 1 36 36 LEU HB2 H 1 1.16 0.02 . 2 . . . . 36 LEU HB2 . 16238 1 348 . 1 1 36 36 LEU HB3 H 1 1.34 0.02 . 2 . . . . 36 LEU HB3 . 16238 1 349 . 1 1 36 36 LEU HD11 H 1 0.49 0.02 . 1 . . . . 36 LEU HD1 . 16238 1 350 . 1 1 36 36 LEU HD12 H 1 0.49 0.02 . 1 . . . . 36 LEU HD1 . 16238 1 351 . 1 1 36 36 LEU HD13 H 1 0.49 0.02 . 1 . . . . 36 LEU HD1 . 16238 1 352 . 1 1 36 36 LEU HD21 H 1 0.51 0.02 . 1 . . . . 36 LEU HD2 . 16238 1 353 . 1 1 36 36 LEU HD22 H 1 0.51 0.02 . 1 . . . . 36 LEU HD2 . 16238 1 354 . 1 1 36 36 LEU HD23 H 1 0.51 0.02 . 1 . . . . 36 LEU HD2 . 16238 1 355 . 1 1 36 36 LEU HG H 1 1.17 0.02 . 1 . . . . 36 LEU HG . 16238 1 356 . 1 1 36 36 LEU C C 13 174.2 0.2 . 1 . . . . 36 LEU C . 16238 1 357 . 1 1 36 36 LEU CA C 13 52.6 0.2 . 1 . . . . 36 LEU CA . 16238 1 358 . 1 1 36 36 LEU CB C 13 45.6 0.2 . 1 . . . . 36 LEU CB . 16238 1 359 . 1 1 36 36 LEU CD1 C 13 23.6 0.02 . 1 . . . . 36 LEU CD1 . 16238 1 360 . 1 1 36 36 LEU CD2 C 13 25.6 0.02 . 1 . . . . 36 LEU CD2 . 16238 1 361 . 1 1 36 36 LEU CG C 13 26.9 0.2 . 1 . . . . 36 LEU CG . 16238 1 362 . 1 1 36 36 LEU N N 15 123.6 0.2 . 1 . . . . 36 LEU N . 16238 1 363 . 1 1 37 37 PHE H H 1 8.40 0.02 . 1 . . . . 37 PHE H . 16238 1 364 . 1 1 37 37 PHE HA H 1 5.30 0.02 . 1 . . . . 37 PHE HA . 16238 1 365 . 1 1 37 37 PHE HB2 H 1 2.75 0.02 . 2 . . . . 37 PHE HB2 . 16238 1 366 . 1 1 37 37 PHE HB3 H 1 3.14 0.02 . 2 . . . . 37 PHE HB3 . 16238 1 367 . 1 1 37 37 PHE HD1 H 1 7.20 0.02 . 3 . . . . 37 PHE HD1 . 16238 1 368 . 1 1 37 37 PHE HD2 H 1 7.20 0.02 . 3 . . . . 37 PHE HD2 . 16238 1 369 . 1 1 37 37 PHE C C 13 175.6 0.2 . 1 . . . . 37 PHE C . 16238 1 370 . 1 1 37 37 PHE CA C 13 56.3 0.2 . 1 . . . . 37 PHE CA . 16238 1 371 . 1 1 37 37 PHE CB C 13 42.0 0.2 . 1 . . . . 37 PHE CB . 16238 1 372 . 1 1 37 37 PHE CD1 C 13 129.4 0.02 . 3 . . . . 37 PHE CD1 . 16238 1 373 . 1 1 37 37 PHE CD2 C 13 129.4 0.02 . 3 . . . . 37 PHE CD2 . 16238 1 374 . 1 1 37 37 PHE N N 15 118.3 0.2 . 1 . . . . 37 PHE N . 16238 1 375 . 1 1 38 38 GLY H H 1 8.34 0.02 . 1 . . . . 38 GLY H . 16238 1 376 . 1 1 38 38 GLY HA2 H 1 3.75 0.02 . 2 . . . . 38 GLY HA2 . 16238 1 377 . 1 1 38 38 GLY HA3 H 1 4.21 0.02 . 2 . . . . 38 GLY HA3 . 16238 1 378 . 1 1 38 38 GLY CA C 13 45.6 0.2 . 1 . . . . 38 GLY CA . 16238 1 379 . 1 1 38 38 GLY N N 15 109.3 0.2 . 1 . . . . 38 GLY N . 16238 1 380 . 1 1 39 39 SER HA H 1 4.21 0.02 . 1 . . . . 39 SER HA . 16238 1 381 . 1 1 39 39 SER HB2 H 1 3.69 0.02 . 2 . . . . 39 SER HB2 . 16238 1 382 . 1 1 39 39 SER HB3 H 1 3.69 0.02 . 2 . . . . 39 SER HB3 . 16238 1 383 . 1 1 39 39 SER C C 13 173.7 0.2 . 1 . . . . 39 SER C . 16238 1 384 . 1 1 39 39 SER CA C 13 60.1 0.2 . 1 . . . . 39 SER CA . 16238 1 385 . 1 1 39 39 SER CB C 13 63.9 0.2 . 1 . . . . 39 SER CB . 16238 1 386 . 1 1 40 40 ASP H H 1 7.67 0.02 . 1 . . . . 40 ASP H . 16238 1 387 . 1 1 40 40 ASP HA H 1 4.81 0.02 . 1 . . . . 40 ASP HA . 16238 1 388 . 1 1 40 40 ASP HB2 H 1 3.05 0.02 . 2 . . . . 40 ASP HB2 . 16238 1 389 . 1 1 40 40 ASP HB3 H 1 3.05 0.02 . 2 . . . . 40 ASP HB3 . 16238 1 390 . 1 1 40 40 ASP C C 13 175.5 0.2 . 1 . . . . 40 ASP C . 16238 1 391 . 1 1 40 40 ASP CA C 13 52.9 0.2 . 1 . . . . 40 ASP CA . 16238 1 392 . 1 1 40 40 ASP CB C 13 41.3 0.2 . 1 . . . . 40 ASP CB . 16238 1 393 . 1 1 40 40 ASP N N 15 115.8 0.2 . 1 . . . . 40 ASP N . 16238 1 394 . 1 1 41 41 LYS H H 1 8.26 0.02 . 1 . . . . 41 LYS H . 16238 1 395 . 1 1 41 41 LYS HA H 1 3.78 0.02 . 1 . . . . 41 LYS HA . 16238 1 396 . 1 1 41 41 LYS HB2 H 1 1.87 0.02 . 2 . . . . 41 LYS HB2 . 16238 1 397 . 1 1 41 41 LYS HB3 H 1 2.11 0.02 . 2 . . . . 41 LYS HB3 . 16238 1 398 . 1 1 41 41 LYS HD2 H 1 1.63 0.02 . 2 . . . . 41 LYS HD2 . 16238 1 399 . 1 1 41 41 LYS HD3 H 1 1.63 0.02 . 2 . . . . 41 LYS HD3 . 16238 1 400 . 1 1 41 41 LYS HE2 H 1 2.93 0.02 . 2 . . . . 41 LYS HE2 . 16238 1 401 . 1 1 41 41 LYS HE3 H 1 2.93 0.02 . 2 . . . . 41 LYS HE3 . 16238 1 402 . 1 1 41 41 LYS HG2 H 1 1.20 0.02 . 2 . . . . 41 LYS HG2 . 16238 1 403 . 1 1 41 41 LYS HG3 H 1 1.29 0.02 . 2 . . . . 41 LYS HG3 . 16238 1 404 . 1 1 41 41 LYS C C 13 177.1 0.2 . 1 . . . . 41 LYS C . 16238 1 405 . 1 1 41 41 LYS CA C 13 60.5 0.2 . 1 . . . . 41 LYS CA . 16238 1 406 . 1 1 41 41 LYS CB C 13 33.4 0.2 . 1 . . . . 41 LYS CB . 16238 1 407 . 1 1 41 41 LYS CD C 13 30.0 0.2 . 1 . . . . 41 LYS CD . 16238 1 408 . 1 1 41 41 LYS CE C 13 42.1 0.2 . 1 . . . . 41 LYS CE . 16238 1 409 . 1 1 41 41 LYS CG C 13 24.8 0.2 . 1 . . . . 41 LYS CG . 16238 1 410 . 1 1 41 41 LYS N N 15 120.2 0.2 . 1 . . . . 41 LYS N . 16238 1 411 . 1 1 42 42 ALA H H 1 8.42 0.02 . 1 . . . . 42 ALA H . 16238 1 412 . 1 1 42 42 ALA HA H 1 4.18 0.02 . 1 . . . . 42 ALA HA . 16238 1 413 . 1 1 42 42 ALA HB1 H 1 1.37 0.02 . 1 . . . . 42 ALA HB . 16238 1 414 . 1 1 42 42 ALA HB2 H 1 1.37 0.02 . 1 . . . . 42 ALA HB . 16238 1 415 . 1 1 42 42 ALA HB3 H 1 1.37 0.02 . 1 . . . . 42 ALA HB . 16238 1 416 . 1 1 42 42 ALA C C 13 181.9 0.2 . 1 . . . . 42 ALA C . 16238 1 417 . 1 1 42 42 ALA CA C 13 55.4 0.2 . 1 . . . . 42 ALA CA . 16238 1 418 . 1 1 42 42 ALA CB C 13 17.7 0.2 . 1 . . . . 42 ALA CB . 16238 1 419 . 1 1 42 42 ALA N N 15 120.7 0.2 . 1 . . . . 42 ALA N . 16238 1 420 . 1 1 43 43 HIS H H 1 8.49 0.02 . 1 . . . . 43 HIS H . 16238 1 421 . 1 1 43 43 HIS HA H 1 4.33 0.02 . 1 . . . . 43 HIS HA . 16238 1 422 . 1 1 43 43 HIS HB2 H 1 3.18 0.02 . 2 . . . . 43 HIS HB2 . 16238 1 423 . 1 1 43 43 HIS HB3 H 1 3.29 0.02 . 2 . . . . 43 HIS HB3 . 16238 1 424 . 1 1 43 43 HIS C C 13 178.8 0.2 . 1 . . . . 43 HIS C . 16238 1 425 . 1 1 43 43 HIS CA C 13 59.6 0.2 . 1 . . . . 43 HIS CA . 16238 1 426 . 1 1 43 43 HIS CB C 13 30.3 0.2 . 1 . . . . 43 HIS CB . 16238 1 427 . 1 1 43 43 HIS N N 15 118.0 0.2 . 1 . . . . 43 HIS N . 16238 1 428 . 1 1 44 44 LEU H H 1 8.34 0.02 . 1 . . . . 44 LEU H . 16238 1 429 . 1 1 44 44 LEU HA H 1 3.75 0.02 . 1 . . . . 44 LEU HA . 16238 1 430 . 1 1 44 44 LEU HB2 H 1 1.20 0.02 . 2 . . . . 44 LEU HB2 . 16238 1 431 . 1 1 44 44 LEU HB3 H 1 1.93 0.02 . 2 . . . . 44 LEU HB3 . 16238 1 432 . 1 1 44 44 LEU HD11 H 1 0.34 0.02 . 1 . . . . 44 LEU HD1 . 16238 1 433 . 1 1 44 44 LEU HD12 H 1 0.34 0.02 . 1 . . . . 44 LEU HD1 . 16238 1 434 . 1 1 44 44 LEU HD13 H 1 0.34 0.02 . 1 . . . . 44 LEU HD1 . 16238 1 435 . 1 1 44 44 LEU HD21 H 1 0.42 0.02 . 1 . . . . 44 LEU HD2 . 16238 1 436 . 1 1 44 44 LEU HD22 H 1 0.42 0.02 . 1 . . . . 44 LEU HD2 . 16238 1 437 . 1 1 44 44 LEU HD23 H 1 0.42 0.02 . 1 . . . . 44 LEU HD2 . 16238 1 438 . 1 1 44 44 LEU HG H 1 1.46 0.02 . 1 . . . . 44 LEU HG . 16238 1 439 . 1 1 44 44 LEU C C 13 178.5 0.2 . 1 . . . . 44 LEU C . 16238 1 440 . 1 1 44 44 LEU CA C 13 58.2 0.2 . 1 . . . . 44 LEU CA . 16238 1 441 . 1 1 44 44 LEU CB C 13 42.1 0.2 . 1 . . . . 44 LEU CB . 16238 1 442 . 1 1 44 44 LEU CD1 C 13 25.5 0.02 . 1 . . . . 44 LEU CD1 . 16238 1 443 . 1 1 44 44 LEU CD2 C 13 22.9 0.02 . 1 . . . . 44 LEU CD2 . 16238 1 444 . 1 1 44 44 LEU CG C 13 26.6 0.2 . 1 . . . . 44 LEU CG . 16238 1 445 . 1 1 44 44 LEU N N 15 121.5 0.2 . 1 . . . . 44 LEU N . 16238 1 446 . 1 1 45 45 GLU H H 1 8.88 0.02 . 1 . . . . 45 GLU H . 16238 1 447 . 1 1 45 45 GLU HA H 1 3.75 0.02 . 1 . . . . 45 GLU HA . 16238 1 448 . 1 1 45 45 GLU HB2 H 1 1.93 0.02 . 2 . . . . 45 GLU HB2 . 16238 1 449 . 1 1 45 45 GLU HB3 H 1 2.07 0.02 . 2 . . . . 45 GLU HB3 . 16238 1 450 . 1 1 45 45 GLU HG2 H 1 2.02 0.02 . 2 . . . . 45 GLU HG2 . 16238 1 451 . 1 1 45 45 GLU HG3 H 1 2.49 0.02 . 2 . . . . 45 GLU HG3 . 16238 1 452 . 1 1 45 45 GLU C C 13 180.2 0.2 . 1 . . . . 45 GLU C . 16238 1 453 . 1 1 45 45 GLU CA C 13 60.0 0.2 . 1 . . . . 45 GLU CA . 16238 1 454 . 1 1 45 45 GLU CB C 13 29.0 0.2 . 1 . . . . 45 GLU CB . 16238 1 455 . 1 1 45 45 GLU CG C 13 37.7 0.2 . 1 . . . . 45 GLU CG . 16238 1 456 . 1 1 45 45 GLU N N 15 118.3 0.2 . 1 . . . . 45 GLU N . 16238 1 457 . 1 1 46 46 GLY H H 1 7.97 0.02 . 1 . . . . 46 GLY H . 16238 1 458 . 1 1 46 46 GLY HA2 H 1 3.92 0.02 . 2 . . . . 46 GLY HA2 . 16238 1 459 . 1 1 46 46 GLY HA3 H 1 3.92 0.02 . 2 . . . . 46 GLY HA3 . 16238 1 460 . 1 1 46 46 GLY C C 13 176.5 0.2 . 1 . . . . 46 GLY C . 16238 1 461 . 1 1 46 46 GLY CA C 13 46.9 0.2 . 1 . . . . 46 GLY CA . 16238 1 462 . 1 1 46 46 GLY N N 15 108.1 0.2 . 1 . . . . 46 GLY N . 16238 1 463 . 1 1 47 47 LYS H H 1 7.69 0.02 . 1 . . . . 47 LYS H . 16238 1 464 . 1 1 47 47 LYS HA H 1 4.32 0.02 . 1 . . . . 47 LYS HA . 16238 1 465 . 1 1 47 47 LYS HB2 H 1 1.84 0.02 . 2 . . . . 47 LYS HB2 . 16238 1 466 . 1 1 47 47 LYS HB3 H 1 1.92 0.02 . 2 . . . . 47 LYS HB3 . 16238 1 467 . 1 1 47 47 LYS HD2 H 1 1.67 0.02 . 2 . . . . 47 LYS HD2 . 16238 1 468 . 1 1 47 47 LYS HD3 H 1 1.78 0.02 . 2 . . . . 47 LYS HD3 . 16238 1 469 . 1 1 47 47 LYS HE2 H 1 2.89 0.02 . 2 . . . . 47 LYS HE2 . 16238 1 470 . 1 1 47 47 LYS HE3 H 1 2.89 0.02 . 2 . . . . 47 LYS HE3 . 16238 1 471 . 1 1 47 47 LYS HG2 H 1 1.53 0.02 . 2 . . . . 47 LYS HG2 . 16238 1 472 . 1 1 47 47 LYS HG3 H 1 1.61 0.02 . 2 . . . . 47 LYS HG3 . 16238 1 473 . 1 1 47 47 LYS C C 13 179.4 0.2 . 1 . . . . 47 LYS C . 16238 1 474 . 1 1 47 47 LYS CA C 13 58.4 0.2 . 1 . . . . 47 LYS CA . 16238 1 475 . 1 1 47 47 LYS CB C 13 32.1 0.2 . 1 . . . . 47 LYS CB . 16238 1 476 . 1 1 47 47 LYS CD C 13 28.9 0.2 . 1 . . . . 47 LYS CD . 16238 1 477 . 1 1 47 47 LYS CE C 13 42.0 0.2 . 1 . . . . 47 LYS CE . 16238 1 478 . 1 1 47 47 LYS CG C 13 25.1 0.2 . 1 . . . . 47 LYS CG . 16238 1 479 . 1 1 47 47 LYS N N 15 122.4 0.2 . 1 . . . . 47 LYS N . 16238 1 480 . 1 1 48 48 LEU H H 1 8.55 0.02 . 1 . . . . 48 LEU H . 16238 1 481 . 1 1 48 48 LEU HA H 1 3.98 0.02 . 1 . . . . 48 LEU HA . 16238 1 482 . 1 1 48 48 LEU HB2 H 1 1.37 0.02 . 2 . . . . 48 LEU HB2 . 16238 1 483 . 1 1 48 48 LEU HB3 H 1 1.98 0.02 . 2 . . . . 48 LEU HB3 . 16238 1 484 . 1 1 48 48 LEU HD11 H 1 0.76 0.02 . 1 . . . . 48 LEU HD1 . 16238 1 485 . 1 1 48 48 LEU HD12 H 1 0.76 0.02 . 1 . . . . 48 LEU HD1 . 16238 1 486 . 1 1 48 48 LEU HD13 H 1 0.76 0.02 . 1 . . . . 48 LEU HD1 . 16238 1 487 . 1 1 48 48 LEU HD21 H 1 0.93 0.02 . 1 . . . . 48 LEU HD2 . 16238 1 488 . 1 1 48 48 LEU HD22 H 1 0.93 0.02 . 1 . . . . 48 LEU HD2 . 16238 1 489 . 1 1 48 48 LEU HD23 H 1 0.93 0.02 . 1 . . . . 48 LEU HD2 . 16238 1 490 . 1 1 48 48 LEU HG H 1 1.69 0.02 . 1 . . . . 48 LEU HG . 16238 1 491 . 1 1 48 48 LEU C C 13 178.3 0.2 . 1 . . . . 48 LEU C . 16238 1 492 . 1 1 48 48 LEU CA C 13 57.9 0.2 . 1 . . . . 48 LEU CA . 16238 1 493 . 1 1 48 48 LEU CB C 13 40.8 0.2 . 1 . . . . 48 LEU CB . 16238 1 494 . 1 1 48 48 LEU CD1 C 13 22.1 0.02 . 1 . . . . 48 LEU CD1 . 16238 1 495 . 1 1 48 48 LEU CD2 C 13 26.8 0.02 . 1 . . . . 48 LEU CD2 . 16238 1 496 . 1 1 48 48 LEU CG C 13 26.2 0.2 . 1 . . . . 48 LEU CG . 16238 1 497 . 1 1 48 48 LEU N N 15 120.6 0.2 . 1 . . . . 48 LEU N . 16238 1 498 . 1 1 49 49 ALA H H 1 7.81 0.02 . 1 . . . . 49 ALA H . 16238 1 499 . 1 1 49 49 ALA HA H 1 4.00 0.02 . 1 . . . . 49 ALA HA . 16238 1 500 . 1 1 49 49 ALA HB1 H 1 1.58 0.02 . 1 . . . . 49 ALA HB . 16238 1 501 . 1 1 49 49 ALA HB2 H 1 1.58 0.02 . 1 . . . . 49 ALA HB . 16238 1 502 . 1 1 49 49 ALA HB3 H 1 1.58 0.02 . 1 . . . . 49 ALA HB . 16238 1 503 . 1 1 49 49 ALA C C 13 180.4 0.2 . 1 . . . . 49 ALA C . 16238 1 504 . 1 1 49 49 ALA CA C 13 55.6 0.2 . 1 . . . . 49 ALA CA . 16238 1 505 . 1 1 49 49 ALA CB C 13 17.9 0.2 . 1 . . . . 49 ALA CB . 16238 1 506 . 1 1 49 49 ALA N N 15 120.0 0.2 . 1 . . . . 49 ALA N . 16238 1 507 . 1 1 50 50 GLU H H 1 7.52 0.02 . 1 . . . . 50 GLU H . 16238 1 508 . 1 1 50 50 GLU HA H 1 4.13 0.02 . 1 . . . . 50 GLU HA . 16238 1 509 . 1 1 50 50 GLU HB2 H 1 2.06 0.02 . 2 . . . . 50 GLU HB2 . 16238 1 510 . 1 1 50 50 GLU HB3 H 1 2.27 0.02 . 2 . . . . 50 GLU HB3 . 16238 1 511 . 1 1 50 50 GLU HG2 H 1 2.20 0.02 . 2 . . . . 50 GLU HG2 . 16238 1 512 . 1 1 50 50 GLU HG3 H 1 2.45 0.02 . 2 . . . . 50 GLU HG3 . 16238 1 513 . 1 1 50 50 GLU C C 13 179.6 0.2 . 1 . . . . 50 GLU C . 16238 1 514 . 1 1 50 50 GLU CA C 13 59.2 0.2 . 1 . . . . 50 GLU CA . 16238 1 515 . 1 1 50 50 GLU CB C 13 29.8 0.2 . 1 . . . . 50 GLU CB . 16238 1 516 . 1 1 50 50 GLU CG C 13 36.2 0.2 . 1 . . . . 50 GLU CG . 16238 1 517 . 1 1 50 50 GLU N N 15 117.3 0.2 . 1 . . . . 50 GLU N . 16238 1 518 . 1 1 51 51 TYR H H 1 7.86 0.02 . 1 . . . . 51 TYR H . 16238 1 519 . 1 1 51 51 TYR HA H 1 3.90 0.02 . 1 . . . . 51 TYR HA . 16238 1 520 . 1 1 51 51 TYR HB2 H 1 2.70 0.02 . 2 . . . . 51 TYR HB2 . 16238 1 521 . 1 1 51 51 TYR HB3 H 1 3.50 0.02 . 2 . . . . 51 TYR HB3 . 16238 1 522 . 1 1 51 51 TYR HD1 H 1 7.13 0.02 . 3 . . . . 51 TYR HD1 . 16238 1 523 . 1 1 51 51 TYR HD2 H 1 7.13 0.02 . 3 . . . . 51 TYR HD2 . 16238 1 524 . 1 1 51 51 TYR HE1 H 1 6.63 0.02 . 3 . . . . 51 TYR HE1 . 16238 1 525 . 1 1 51 51 TYR HE2 H 1 6.63 0.02 . 3 . . . . 51 TYR HE2 . 16238 1 526 . 1 1 51 51 TYR C C 13 177.9 0.2 . 1 . . . . 51 TYR C . 16238 1 527 . 1 1 51 51 TYR CA C 13 62.4 0.2 . 1 . . . . 51 TYR CA . 16238 1 528 . 1 1 51 51 TYR CB C 13 38.2 0.2 . 1 . . . . 51 TYR CB . 16238 1 529 . 1 1 51 51 TYR CD1 C 13 132.3 0.02 . 3 . . . . 51 TYR CD1 . 16238 1 530 . 1 1 51 51 TYR CD2 C 13 132.3 0.02 . 3 . . . . 51 TYR CD2 . 16238 1 531 . 1 1 51 51 TYR CE1 C 13 118.7 0.02 . 3 . . . . 51 TYR CE1 . 16238 1 532 . 1 1 51 51 TYR CE2 C 13 118.7 0.02 . 3 . . . . 51 TYR CE2 . 16238 1 533 . 1 1 51 51 TYR N N 15 120.3 0.2 . 1 . . . . 51 TYR N . 16238 1 534 . 1 1 52 52 ILE H H 1 8.59 0.02 . 1 . . . . 52 ILE H . 16238 1 535 . 1 1 52 52 ILE HA H 1 3.42 0.02 . 1 . . . . 52 ILE HA . 16238 1 536 . 1 1 52 52 ILE HB H 1 1.69 0.02 . 1 . . . . 52 ILE HB . 16238 1 537 . 1 1 52 52 ILE HD11 H 1 0.59 0.02 . 1 . . . . 52 ILE HD1 . 16238 1 538 . 1 1 52 52 ILE HD12 H 1 0.59 0.02 . 1 . . . . 52 ILE HD1 . 16238 1 539 . 1 1 52 52 ILE HD13 H 1 0.59 0.02 . 1 . . . . 52 ILE HD1 . 16238 1 540 . 1 1 52 52 ILE HG12 H 1 0.06 0.02 . 2 . . . . 52 ILE HG12 . 16238 1 541 . 1 1 52 52 ILE HG13 H 1 1.58 0.02 . 2 . . . . 52 ILE HG13 . 16238 1 542 . 1 1 52 52 ILE HG21 H 1 0.67 0.02 . 1 . . . . 52 ILE HG2 . 16238 1 543 . 1 1 52 52 ILE HG22 H 1 0.67 0.02 . 1 . . . . 52 ILE HG2 . 16238 1 544 . 1 1 52 52 ILE HG23 H 1 0.67 0.02 . 1 . . . . 52 ILE HG2 . 16238 1 545 . 1 1 52 52 ILE C C 13 177.4 0.2 . 1 . . . . 52 ILE C . 16238 1 546 . 1 1 52 52 ILE CA C 13 66.2 0.2 . 1 . . . . 52 ILE CA . 16238 1 547 . 1 1 52 52 ILE CB C 13 38.2 0.2 . 1 . . . . 52 ILE CB . 16238 1 548 . 1 1 52 52 ILE CD1 C 13 14.4 0.2 . 1 . . . . 52 ILE CD1 . 16238 1 549 . 1 1 52 52 ILE CG1 C 13 29.2 0.2 . 1 . . . . 52 ILE CG1 . 16238 1 550 . 1 1 52 52 ILE CG2 C 13 17.1 0.2 . 1 . . . . 52 ILE CG2 . 16238 1 551 . 1 1 52 52 ILE N N 15 120.1 0.2 . 1 . . . . 52 ILE N . 16238 1 552 . 1 1 53 53 SER H H 1 7.86 0.02 . 1 . . . . 53 SER H . 16238 1 553 . 1 1 53 53 SER HA H 1 4.08 0.02 . 1 . . . . 53 SER HA . 16238 1 554 . 1 1 53 53 SER HB2 H 1 3.91 0.02 . 2 . . . . 53 SER HB2 . 16238 1 555 . 1 1 53 53 SER HB3 H 1 3.91 0.02 . 2 . . . . 53 SER HB3 . 16238 1 556 . 1 1 53 53 SER C C 13 177.7 0.2 . 1 . . . . 53 SER C . 16238 1 557 . 1 1 53 53 SER CA C 13 61.8 0.2 . 1 . . . . 53 SER CA . 16238 1 558 . 1 1 53 53 SER CB C 13 62.6 0.2 . 1 . . . . 53 SER CB . 16238 1 559 . 1 1 53 53 SER N N 15 113.1 0.2 . 1 . . . . 53 SER N . 16238 1 560 . 1 1 54 54 LEU H H 1 7.61 0.02 . 1 . . . . 54 LEU H . 16238 1 561 . 1 1 54 54 LEU HA H 1 4.09 0.02 . 1 . . . . 54 LEU HA . 16238 1 562 . 1 1 54 54 LEU HB2 H 1 1.47 0.02 . 2 . . . . 54 LEU HB2 . 16238 1 563 . 1 1 54 54 LEU HB3 H 1 1.76 0.02 . 2 . . . . 54 LEU HB3 . 16238 1 564 . 1 1 54 54 LEU HD11 H 1 0.67 0.02 . 1 . . . . 54 LEU HD1 . 16238 1 565 . 1 1 54 54 LEU HD12 H 1 0.67 0.02 . 1 . . . . 54 LEU HD1 . 16238 1 566 . 1 1 54 54 LEU HD13 H 1 0.67 0.02 . 1 . . . . 54 LEU HD1 . 16238 1 567 . 1 1 54 54 LEU HD21 H 1 0.65 0.02 . 1 . . . . 54 LEU HD2 . 16238 1 568 . 1 1 54 54 LEU HD22 H 1 0.65 0.02 . 1 . . . . 54 LEU HD2 . 16238 1 569 . 1 1 54 54 LEU HD23 H 1 0.65 0.02 . 1 . . . . 54 LEU HD2 . 16238 1 570 . 1 1 54 54 LEU HG H 1 1.68 0.02 . 1 . . . . 54 LEU HG . 16238 1 571 . 1 1 54 54 LEU C C 13 178.6 0.2 . 1 . . . . 54 LEU C . 16238 1 572 . 1 1 54 54 LEU CA C 13 58.0 0.2 . 1 . . . . 54 LEU CA . 16238 1 573 . 1 1 54 54 LEU CB C 13 42.2 0.2 . 1 . . . . 54 LEU CB . 16238 1 574 . 1 1 54 54 LEU CD1 C 13 24.7 0.02 . 1 . . . . 54 LEU CD1 . 16238 1 575 . 1 1 54 54 LEU CD2 C 13 24.5 0.02 . 1 . . . . 54 LEU CD2 . 16238 1 576 . 1 1 54 54 LEU CG C 13 27.2 0.2 . 1 . . . . 54 LEU CG . 16238 1 577 . 1 1 54 54 LEU N N 15 121.2 0.2 . 1 . . . . 54 LEU N . 16238 1 578 . 1 1 55 55 ALA H H 1 8.64 0.02 . 1 . . . . 55 ALA H . 16238 1 579 . 1 1 55 55 ALA HA H 1 3.86 0.02 . 1 . . . . 55 ALA HA . 16238 1 580 . 1 1 55 55 ALA HB1 H 1 1.10 0.02 . 1 . . . . 55 ALA HB . 16238 1 581 . 1 1 55 55 ALA HB2 H 1 1.10 0.02 . 1 . . . . 55 ALA HB . 16238 1 582 . 1 1 55 55 ALA HB3 H 1 1.10 0.02 . 1 . . . . 55 ALA HB . 16238 1 583 . 1 1 55 55 ALA C C 13 179.1 0.2 . 1 . . . . 55 ALA C . 16238 1 584 . 1 1 55 55 ALA CA C 13 56.2 0.2 . 1 . . . . 55 ALA CA . 16238 1 585 . 1 1 55 55 ALA CB C 13 19.0 0.2 . 1 . . . . 55 ALA CB . 16238 1 586 . 1 1 55 55 ALA N N 15 121.9 0.2 . 1 . . . . 55 ALA N . 16238 1 587 . 1 1 56 56 LYS H H 1 8.12 0.02 . 1 . . . . 56 LYS H . 16238 1 588 . 1 1 56 56 LYS HA H 1 4.22 0.02 . 1 . . . . 56 LYS HA . 16238 1 589 . 1 1 56 56 LYS HB2 H 1 1.80 0.02 . 2 . . . . 56 LYS HB2 . 16238 1 590 . 1 1 56 56 LYS HB3 H 1 1.80 0.02 . 2 . . . . 56 LYS HB3 . 16238 1 591 . 1 1 56 56 LYS HD2 H 1 1.67 0.02 . 2 . . . . 56 LYS HD2 . 16238 1 592 . 1 1 56 56 LYS HD3 H 1 1.67 0.02 . 2 . . . . 56 LYS HD3 . 16238 1 593 . 1 1 56 56 LYS HE2 H 1 2.96 0.02 . 2 . . . . 56 LYS HE2 . 16238 1 594 . 1 1 56 56 LYS HE3 H 1 2.96 0.02 . 2 . . . . 56 LYS HE3 . 16238 1 595 . 1 1 56 56 LYS HG2 H 1 1.56 0.02 . 2 . . . . 56 LYS HG2 . 16238 1 596 . 1 1 56 56 LYS HG3 H 1 1.39 0.02 . 2 . . . . 56 LYS HG3 . 16238 1 597 . 1 1 56 56 LYS C C 13 178.8 0.2 . 1 . . . . 56 LYS C . 16238 1 598 . 1 1 56 56 LYS CA C 13 58.3 0.2 . 1 . . . . 56 LYS CA . 16238 1 599 . 1 1 56 56 LYS CB C 13 32.9 0.2 . 1 . . . . 56 LYS CB . 16238 1 600 . 1 1 56 56 LYS CD C 13 30.0 0.2 . 1 . . . . 56 LYS CD . 16238 1 601 . 1 1 56 56 LYS CE C 13 42.2 0.2 . 1 . . . . 56 LYS CE . 16238 1 602 . 1 1 56 56 LYS CG C 13 26.9 0.2 . 1 . . . . 56 LYS CG . 16238 1 603 . 1 1 56 56 LYS N N 15 115.6 0.2 . 1 . . . . 56 LYS N . 16238 1 604 . 1 1 57 57 GLN H H 1 7.59 0.02 . 1 . . . . 57 GLN H . 16238 1 605 . 1 1 57 57 GLN HA H 1 4.01 0.02 . 1 . . . . 57 GLN HA . 16238 1 606 . 1 1 57 57 GLN HB2 H 1 2.21 0.02 . 2 . . . . 57 GLN HB2 . 16238 1 607 . 1 1 57 57 GLN HB3 H 1 2.32 0.02 . 2 . . . . 57 GLN HB3 . 16238 1 608 . 1 1 57 57 GLN HE21 H 1 7.25 0.02 . 1 . . . . 57 GLN HE21 . 16238 1 609 . 1 1 57 57 GLN HE22 H 1 6.80 0.02 . 1 . . . . 57 GLN HE22 . 16238 1 610 . 1 1 57 57 GLN HG2 H 1 2.33 0.02 . 2 . . . . 57 GLN HG2 . 16238 1 611 . 1 1 57 57 GLN HG3 H 1 2.60 0.02 . 2 . . . . 57 GLN HG3 . 16238 1 612 . 1 1 57 57 GLN C C 13 178.3 0.2 . 1 . . . . 57 GLN C . 16238 1 613 . 1 1 57 57 GLN CA C 13 58.4 0.2 . 1 . . . . 57 GLN CA . 16238 1 614 . 1 1 57 57 GLN CB C 13 28.6 0.2 . 1 . . . . 57 GLN CB . 16238 1 615 . 1 1 57 57 GLN CD C 13 180.4 0.2 . 1 . . . . 57 GLN CD . 16238 1 616 . 1 1 57 57 GLN CG C 13 34.2 0.2 . 1 . . . . 57 GLN CG . 16238 1 617 . 1 1 57 57 GLN N N 15 117.9 0.2 . 1 . . . . 57 GLN N . 16238 1 618 . 1 1 57 57 GLN NE2 N 15 111.4 0.2 . 1 . . . . 57 GLN NE2 . 16238 1 619 . 1 1 58 58 VAL H H 1 7.65 0.02 . 1 . . . . 58 VAL H . 16238 1 620 . 1 1 58 58 VAL HA H 1 3.75 0.02 . 1 . . . . 58 VAL HA . 16238 1 621 . 1 1 58 58 VAL HB H 1 2.46 0.02 . 1 . . . . 58 VAL HB . 16238 1 622 . 1 1 58 58 VAL HG11 H 1 0.94 0.02 . 1 . . . . 58 VAL HG1 . 16238 1 623 . 1 1 58 58 VAL HG12 H 1 0.94 0.02 . 1 . . . . 58 VAL HG1 . 16238 1 624 . 1 1 58 58 VAL HG13 H 1 0.94 0.02 . 1 . . . . 58 VAL HG1 . 16238 1 625 . 1 1 58 58 VAL HG21 H 1 1.06 0.02 . 1 . . . . 58 VAL HG2 . 16238 1 626 . 1 1 58 58 VAL HG22 H 1 1.06 0.02 . 1 . . . . 58 VAL HG2 . 16238 1 627 . 1 1 58 58 VAL HG23 H 1 1.06 0.02 . 1 . . . . 58 VAL HG2 . 16238 1 628 . 1 1 58 58 VAL C C 13 176.4 0.2 . 1 . . . . 58 VAL C . 16238 1 629 . 1 1 58 58 VAL CA C 13 65.5 0.2 . 1 . . . . 58 VAL CA . 16238 1 630 . 1 1 58 58 VAL CB C 13 32.0 0.2 . 1 . . . . 58 VAL CB . 16238 1 631 . 1 1 58 58 VAL CG1 C 13 21.8 0.02 . 1 . . . . 58 VAL CG1 . 16238 1 632 . 1 1 58 58 VAL CG2 C 13 22.8 0.02 . 1 . . . . 58 VAL CG2 . 16238 1 633 . 1 1 58 58 VAL N N 15 120.2 0.2 . 1 . . . . 58 VAL N . 16238 1 634 . 1 1 59 59 TYR H H 1 8.70 0.02 . 1 . . . . 59 TYR H . 16238 1 635 . 1 1 59 59 TYR HA H 1 5.04 0.02 . 1 . . . . 59 TYR HA . 16238 1 636 . 1 1 59 59 TYR HB2 H 1 2.92 0.02 . 2 . . . . 59 TYR HB2 . 16238 1 637 . 1 1 59 59 TYR HB3 H 1 3.24 0.02 . 2 . . . . 59 TYR HB3 . 16238 1 638 . 1 1 59 59 TYR HD1 H 1 7.17 0.02 . 3 . . . . 59 TYR HD1 . 16238 1 639 . 1 1 59 59 TYR HD2 H 1 7.17 0.02 . 3 . . . . 59 TYR HD2 . 16238 1 640 . 1 1 59 59 TYR HE1 H 1 6.89 0.02 . 3 . . . . 59 TYR HE1 . 16238 1 641 . 1 1 59 59 TYR HE2 H 1 6.89 0.02 . 3 . . . . 59 TYR HE2 . 16238 1 642 . 1 1 59 59 TYR C C 13 174.1 0.2 . 1 . . . . 59 TYR C . 16238 1 643 . 1 1 59 59 TYR CA C 13 55.5 0.2 . 1 . . . . 59 TYR CA . 16238 1 644 . 1 1 59 59 TYR CB C 13 40.5 0.2 . 1 . . . . 59 TYR CB . 16238 1 645 . 1 1 59 59 TYR CD1 C 13 132.3 0.02 . 3 . . . . 59 TYR CD1 . 16238 1 646 . 1 1 59 59 TYR CD2 C 13 132.3 0.02 . 3 . . . . 59 TYR CD2 . 16238 1 647 . 1 1 59 59 TYR CE1 C 13 119.0 0.02 . 3 . . . . 59 TYR CE1 . 16238 1 648 . 1 1 59 59 TYR CE2 C 13 119.0 0.02 . 3 . . . . 59 TYR CE2 . 16238 1 649 . 1 1 59 59 TYR N N 15 120.4 0.2 . 1 . . . . 59 TYR N . 16238 1 650 . 1 1 60 60 ALA H H 1 8.90 0.02 . 1 . . . . 60 ALA H . 16238 1 651 . 1 1 60 60 ALA HA H 1 4.23 0.02 . 1 . . . . 60 ALA HA . 16238 1 652 . 1 1 60 60 ALA HB1 H 1 1.33 0.02 . 1 . . . . 60 ALA HB . 16238 1 653 . 1 1 60 60 ALA HB2 H 1 1.33 0.02 . 1 . . . . 60 ALA HB . 16238 1 654 . 1 1 60 60 ALA HB3 H 1 1.33 0.02 . 1 . . . . 60 ALA HB . 16238 1 655 . 1 1 60 60 ALA CA C 13 55.4 0.2 . 1 . . . . 60 ALA CA . 16238 1 656 . 1 1 60 60 ALA CB C 13 18.1 0.2 . 1 . . . . 60 ALA CB . 16238 1 657 . 1 1 60 60 ALA N N 15 131.0 0.2 . 1 . . . . 60 ALA N . 16238 1 658 . 1 1 61 61 ASN H H 1 5.43 0.02 . 1 . . . . 61 ASN H . 16238 1 659 . 1 1 61 61 ASN HA H 1 4.76 0.02 . 1 . . . . 61 ASN HA . 16238 1 660 . 1 1 61 61 ASN HB2 H 1 2.05 0.02 . 2 . . . . 61 ASN HB2 . 16238 1 661 . 1 1 61 61 ASN HB3 H 1 2.93 0.02 . 2 . . . . 61 ASN HB3 . 16238 1 662 . 1 1 61 61 ASN HD21 H 1 7.42 0.02 . 1 . . . . 61 ASN HD21 . 16238 1 663 . 1 1 61 61 ASN HD22 H 1 6.84 0.02 . 1 . . . . 61 ASN HD22 . 16238 1 664 . 1 1 61 61 ASN C C 13 173.2 0.2 . 1 . . . . 61 ASN C . 16238 1 665 . 1 1 61 61 ASN CA C 13 51.8 0.2 . 1 . . . . 61 ASN CA . 16238 1 666 . 1 1 61 61 ASN CB C 13 37.6 0.2 . 1 . . . . 61 ASN CB . 16238 1 667 . 1 1 61 61 ASN CG C 13 177.0 0.2 . 1 . . . . 61 ASN CG . 16238 1 668 . 1 1 61 61 ASN N N 15 111.1 0.2 . 1 . . . . 61 ASN N . 16238 1 669 . 1 1 61 61 ASN ND2 N 15 111.9 0.2 . 1 . . . . 61 ASN ND2 . 16238 1 670 . 1 1 62 62 VAL H H 1 6.87 0.02 . 1 . . . . 62 VAL H . 16238 1 671 . 1 1 62 62 VAL HA H 1 3.73 0.02 . 1 . . . . 62 VAL HA . 16238 1 672 . 1 1 62 62 VAL HB H 1 2.27 0.02 . 1 . . . . 62 VAL HB . 16238 1 673 . 1 1 62 62 VAL HG11 H 1 0.78 0.02 . 1 . . . . 62 VAL HG1 . 16238 1 674 . 1 1 62 62 VAL HG12 H 1 0.78 0.02 . 1 . . . . 62 VAL HG1 . 16238 1 675 . 1 1 62 62 VAL HG13 H 1 0.78 0.02 . 1 . . . . 62 VAL HG1 . 16238 1 676 . 1 1 62 62 VAL HG21 H 1 0.38 0.02 . 1 . . . . 62 VAL HG2 . 16238 1 677 . 1 1 62 62 VAL HG22 H 1 0.38 0.02 . 1 . . . . 62 VAL HG2 . 16238 1 678 . 1 1 62 62 VAL HG23 H 1 0.38 0.02 . 1 . . . . 62 VAL HG2 . 16238 1 679 . 1 1 62 62 VAL C C 13 172.4 0.2 . 1 . . . . 62 VAL C . 16238 1 680 . 1 1 62 62 VAL CA C 13 62.5 0.2 . 1 . . . . 62 VAL CA . 16238 1 681 . 1 1 62 62 VAL CB C 13 31.3 0.2 . 1 . . . . 62 VAL CB . 16238 1 682 . 1 1 62 62 VAL CG1 C 13 19.3 0.02 . 1 . . . . 62 VAL CG1 . 16238 1 683 . 1 1 62 62 VAL CG2 C 13 21.5 0.02 . 1 . . . . 62 VAL CG2 . 16238 1 684 . 1 1 62 62 VAL N N 15 120.4 0.2 . 1 . . . . 62 VAL N . 16238 1 685 . 1 1 63 63 GLU H H 1 7.36 0.02 . 1 . . . . 63 GLU H . 16238 1 686 . 1 1 63 63 GLU HA H 1 4.59 0.02 . 1 . . . . 63 GLU HA . 16238 1 687 . 1 1 63 63 GLU HB2 H 1 1.78 0.02 . 2 . . . . 63 GLU HB2 . 16238 1 688 . 1 1 63 63 GLU HB3 H 1 1.89 0.02 . 2 . . . . 63 GLU HB3 . 16238 1 689 . 1 1 63 63 GLU HG2 H 1 2.07 0.02 . 2 . . . . 63 GLU HG2 . 16238 1 690 . 1 1 63 63 GLU HG3 H 1 2.26 0.02 . 2 . . . . 63 GLU HG3 . 16238 1 691 . 1 1 63 63 GLU C C 13 174.5 0.2 . 1 . . . . 63 GLU C . 16238 1 692 . 1 1 63 63 GLU CA C 13 54.0 0.2 . 1 . . . . 63 GLU CA . 16238 1 693 . 1 1 63 63 GLU CB C 13 32.7 0.2 . 1 . . . . 63 GLU CB . 16238 1 694 . 1 1 63 63 GLU CG C 13 36.2 0.2 . 1 . . . . 63 GLU CG . 16238 1 695 . 1 1 63 63 GLU N N 15 126.5 0.2 . 1 . . . . 63 GLU N . 16238 1 696 . 1 1 64 64 TYR H H 1 8.30 0.02 . 1 . . . . 64 TYR H . 16238 1 697 . 1 1 64 64 TYR HA H 1 5.40 0.02 . 1 . . . . 64 TYR HA . 16238 1 698 . 1 1 64 64 TYR HB2 H 1 1.79 0.02 . 2 . . . . 64 TYR HB2 . 16238 1 699 . 1 1 64 64 TYR HB3 H 1 2.25 0.02 . 2 . . . . 64 TYR HB3 . 16238 1 700 . 1 1 64 64 TYR HD1 H 1 6.47 0.02 . 3 . . . . 64 TYR HD1 . 16238 1 701 . 1 1 64 64 TYR HD2 H 1 6.47 0.02 . 3 . . . . 64 TYR HD2 . 16238 1 702 . 1 1 64 64 TYR HE1 H 1 6.65 0.02 . 3 . . . . 64 TYR HE1 . 16238 1 703 . 1 1 64 64 TYR HE2 H 1 6.65 0.02 . 3 . . . . 64 TYR HE2 . 16238 1 704 . 1 1 64 64 TYR C C 13 173.4 0.2 . 1 . . . . 64 TYR C . 16238 1 705 . 1 1 64 64 TYR CA C 13 54.8 0.2 . 1 . . . . 64 TYR CA . 16238 1 706 . 1 1 64 64 TYR CB C 13 41.8 0.2 . 1 . . . . 64 TYR CB . 16238 1 707 . 1 1 64 64 TYR CD1 C 13 132.7 0.02 . 3 . . . . 64 TYR CD1 . 16238 1 708 . 1 1 64 64 TYR CD2 C 13 132.7 0.02 . 3 . . . . 64 TYR CD2 . 16238 1 709 . 1 1 64 64 TYR CE1 C 13 118.0 0.02 . 3 . . . . 64 TYR CE1 . 16238 1 710 . 1 1 64 64 TYR CE2 C 13 118.0 0.02 . 3 . . . . 64 TYR CE2 . 16238 1 711 . 1 1 64 64 TYR N N 15 118.8 0.2 . 1 . . . . 64 TYR N . 16238 1 712 . 1 1 65 65 GLU H H 1 8.47 0.02 . 1 . . . . 65 GLU H . 16238 1 713 . 1 1 65 65 GLU HA H 1 4.44 0.02 . 1 . . . . 65 GLU HA . 16238 1 714 . 1 1 65 65 GLU HB2 H 1 1.83 0.02 . 2 . . . . 65 GLU HB2 . 16238 1 715 . 1 1 65 65 GLU HB3 H 1 1.83 0.02 . 2 . . . . 65 GLU HB3 . 16238 1 716 . 1 1 65 65 GLU HG2 H 1 2.03 0.02 . 2 . . . . 65 GLU HG2 . 16238 1 717 . 1 1 65 65 GLU HG3 H 1 2.20 0.02 . 2 . . . . 65 GLU HG3 . 16238 1 718 . 1 1 65 65 GLU C C 13 173.8 0.2 . 1 . . . . 65 GLU C . 16238 1 719 . 1 1 65 65 GLU CA C 13 54.6 0.2 . 1 . . . . 65 GLU CA . 16238 1 720 . 1 1 65 65 GLU CB C 13 35.0 0.2 . 1 . . . . 65 GLU CB . 16238 1 721 . 1 1 65 65 GLU CG C 13 36.0 0.2 . 1 . . . . 65 GLU CG . 16238 1 722 . 1 1 65 65 GLU N N 15 121.3 0.2 . 1 . . . . 65 GLU N . 16238 1 723 . 1 1 66 66 VAL H H 1 8.78 0.02 . 1 . . . . 66 VAL H . 16238 1 724 . 1 1 66 66 VAL HA H 1 4.60 0.02 . 1 . . . . 66 VAL HA . 16238 1 725 . 1 1 66 66 VAL HB H 1 1.95 0.02 . 1 . . . . 66 VAL HB . 16238 1 726 . 1 1 66 66 VAL HG11 H 1 1.05 0.02 . 2 . . . . 66 VAL HG1 . 16238 1 727 . 1 1 66 66 VAL HG12 H 1 1.05 0.02 . 2 . . . . 66 VAL HG1 . 16238 1 728 . 1 1 66 66 VAL HG13 H 1 1.05 0.02 . 2 . . . . 66 VAL HG1 . 16238 1 729 . 1 1 66 66 VAL HG21 H 1 0.94 0.02 . 2 . . . . 66 VAL HG2 . 16238 1 730 . 1 1 66 66 VAL HG22 H 1 0.94 0.02 . 2 . . . . 66 VAL HG2 . 16238 1 731 . 1 1 66 66 VAL HG23 H 1 0.94 0.02 . 2 . . . . 66 VAL HG2 . 16238 1 732 . 1 1 66 66 VAL C C 13 175.9 0.2 . 1 . . . . 66 VAL C . 16238 1 733 . 1 1 66 66 VAL CA C 13 60.8 0.2 . 1 . . . . 66 VAL CA . 16238 1 734 . 1 1 66 66 VAL CB C 13 33.8 0.2 . 1 . . . . 66 VAL CB . 16238 1 735 . 1 1 66 66 VAL CG1 C 13 21.0 0.02 . 2 . . . . 66 VAL CG1 . 16238 1 736 . 1 1 66 66 VAL CG2 C 13 21.4 0.02 . 2 . . . . 66 VAL CG2 . 16238 1 737 . 1 1 66 66 VAL N N 15 126.0 0.2 . 1 . . . . 66 VAL N . 16238 1 738 . 1 1 67 67 ALA H H 1 8.40 0.02 . 1 . . . . 67 ALA H . 16238 1 739 . 1 1 67 67 ALA HA H 1 4.39 0.02 . 1 . . . . 67 ALA HA . 16238 1 740 . 1 1 67 67 ALA HB1 H 1 1.17 0.02 . 1 . . . . 67 ALA HB . 16238 1 741 . 1 1 67 67 ALA HB2 H 1 1.17 0.02 . 1 . . . . 67 ALA HB . 16238 1 742 . 1 1 67 67 ALA HB3 H 1 1.17 0.02 . 1 . . . . 67 ALA HB . 16238 1 743 . 1 1 67 67 ALA CA C 13 51.1 0.2 . 1 . . . . 67 ALA CA . 16238 1 744 . 1 1 67 67 ALA CB C 13 16.8 0.2 . 1 . . . . 67 ALA CB . 16238 1 745 . 1 1 67 67 ALA N N 15 132.4 0.2 . 1 . . . . 67 ALA N . 16238 1 746 . 1 1 68 68 PRO HA H 1 4.26 0.02 . 1 . . . . 68 PRO HA . 16238 1 747 . 1 1 68 68 PRO HB2 H 1 1.79 0.02 . 2 . . . . 68 PRO HB2 . 16238 1 748 . 1 1 68 68 PRO HB3 H 1 2.19 0.02 . 2 . . . . 68 PRO HB3 . 16238 1 749 . 1 1 68 68 PRO HD2 H 1 3.48 0.02 . 2 . . . . 68 PRO HD2 . 16238 1 750 . 1 1 68 68 PRO HD3 H 1 3.75 0.02 . 2 . . . . 68 PRO HD3 . 16238 1 751 . 1 1 68 68 PRO HG2 H 1 1.96 0.02 . 2 . . . . 68 PRO HG2 . 16238 1 752 . 1 1 68 68 PRO HG3 H 1 2.05 0.02 . 2 . . . . 68 PRO HG3 . 16238 1 753 . 1 1 68 68 PRO C C 13 176.4 0.2 . 1 . . . . 68 PRO C . 16238 1 754 . 1 1 68 68 PRO CA C 13 63.8 0.2 . 1 . . . . 68 PRO CA . 16238 1 755 . 1 1 68 68 PRO CB C 13 31.8 0.2 . 1 . . . . 68 PRO CB . 16238 1 756 . 1 1 68 68 PRO CD C 13 50.0 0.2 . 1 . . . . 68 PRO CD . 16238 1 757 . 1 1 68 68 PRO CG C 13 27.8 0.2 . 1 . . . . 68 PRO CG . 16238 1 758 . 1 1 69 69 VAL H H 1 8.24 0.02 . 1 . . . . 69 VAL H . 16238 1 759 . 1 1 69 69 VAL HA H 1 4.36 0.02 . 1 . . . . 69 VAL HA . 16238 1 760 . 1 1 69 69 VAL HB H 1 2.08 0.02 . 1 . . . . 69 VAL HB . 16238 1 761 . 1 1 69 69 VAL HG11 H 1 0.98 0.02 . 1 . . . . 69 VAL HG1 . 16238 1 762 . 1 1 69 69 VAL HG12 H 1 0.98 0.02 . 1 . . . . 69 VAL HG1 . 16238 1 763 . 1 1 69 69 VAL HG13 H 1 0.98 0.02 . 1 . . . . 69 VAL HG1 . 16238 1 764 . 1 1 69 69 VAL HG21 H 1 0.96 0.02 . 1 . . . . 69 VAL HG2 . 16238 1 765 . 1 1 69 69 VAL HG22 H 1 0.96 0.02 . 1 . . . . 69 VAL HG2 . 16238 1 766 . 1 1 69 69 VAL HG23 H 1 0.96 0.02 . 1 . . . . 69 VAL HG2 . 16238 1 767 . 1 1 69 69 VAL C C 13 175.5 0.2 . 1 . . . . 69 VAL C . 16238 1 768 . 1 1 69 69 VAL CA C 13 60.5 0.2 . 1 . . . . 69 VAL CA . 16238 1 769 . 1 1 69 69 VAL CB C 13 34.2 0.2 . 1 . . . . 69 VAL CB . 16238 1 770 . 1 1 69 69 VAL CG1 C 13 22.1 0.02 . 1 . . . . 69 VAL CG1 . 16238 1 771 . 1 1 69 69 VAL CG2 C 13 20.4 0.02 . 1 . . . . 69 VAL CG2 . 16238 1 772 . 1 1 69 69 VAL N N 15 121.6 0.2 . 1 . . . . 69 VAL N . 16238 1 773 . 1 1 70 70 ALA H H 1 8.63 0.02 . 1 . . . . 70 ALA H . 16238 1 774 . 1 1 70 70 ALA HA H 1 4.37 0.02 . 1 . . . . 70 ALA HA . 16238 1 775 . 1 1 70 70 ALA HB1 H 1 1.50 0.02 . 1 . . . . 70 ALA HB . 16238 1 776 . 1 1 70 70 ALA HB2 H 1 1.50 0.02 . 1 . . . . 70 ALA HB . 16238 1 777 . 1 1 70 70 ALA HB3 H 1 1.50 0.02 . 1 . . . . 70 ALA HB . 16238 1 778 . 1 1 70 70 ALA C C 13 178.1 0.2 . 1 . . . . 70 ALA C . 16238 1 779 . 1 1 70 70 ALA CA C 13 51.7 0.2 . 1 . . . . 70 ALA CA . 16238 1 780 . 1 1 70 70 ALA CB C 13 19.7 0.2 . 1 . . . . 70 ALA CB . 16238 1 781 . 1 1 70 70 ALA N N 15 128.8 0.2 . 1 . . . . 70 ALA N . 16238 1 782 . 1 1 71 71 ASP H H 1 8.64 0.02 . 1 . . . . 71 ASP H . 16238 1 783 . 1 1 71 71 ASP HA H 1 4.33 0.02 . 1 . . . . 71 ASP HA . 16238 1 784 . 1 1 71 71 ASP HB2 H 1 2.59 0.02 . 2 . . . . 71 ASP HB2 . 16238 1 785 . 1 1 71 71 ASP HB3 H 1 2.66 0.02 . 2 . . . . 71 ASP HB3 . 16238 1 786 . 1 1 71 71 ASP C C 13 177.0 0.2 . 1 . . . . 71 ASP C . 16238 1 787 . 1 1 71 71 ASP CA C 13 57.3 0.2 . 1 . . . . 71 ASP CA . 16238 1 788 . 1 1 71 71 ASP CB C 13 40.3 0.2 . 1 . . . . 71 ASP CB . 16238 1 789 . 1 1 71 71 ASP N N 15 118.9 0.2 . 1 . . . . 71 ASP N . 16238 1 790 . 1 1 72 72 ASN H H 1 8.10 0.02 . 1 . . . . 72 ASN H . 16238 1 791 . 1 1 72 72 ASN HA H 1 4.81 0.02 . 1 . . . . 72 ASN HA . 16238 1 792 . 1 1 72 72 ASN HB2 H 1 2.80 0.02 . 2 . . . . 72 ASN HB2 . 16238 1 793 . 1 1 72 72 ASN HB3 H 1 3.06 0.02 . 2 . . . . 72 ASN HB3 . 16238 1 794 . 1 1 72 72 ASN HD21 H 1 7.65 0.02 . 1 . . . . 72 ASN HD21 . 16238 1 795 . 1 1 72 72 ASN HD22 H 1 6.85 0.02 . 1 . . . . 72 ASN HD22 . 16238 1 796 . 1 1 72 72 ASN C C 13 175.3 0.2 . 1 . . . . 72 ASN C . 16238 1 797 . 1 1 72 72 ASN CA C 13 51.9 0.2 . 1 . . . . 72 ASN CA . 16238 1 798 . 1 1 72 72 ASN CB C 13 37.4 0.2 . 1 . . . . 72 ASN CB . 16238 1 799 . 1 1 72 72 ASN CG C 13 178.2 0.2 . 1 . . . . 72 ASN CG . 16238 1 800 . 1 1 72 72 ASN N N 15 114.8 0.2 . 1 . . . . 72 ASN N . 16238 1 801 . 1 1 72 72 ASN ND2 N 15 111.8 0.2 . 1 . . . . 72 ASN ND2 . 16238 1 802 . 1 1 73 73 ALA H H 1 7.58 0.02 . 1 . . . . 73 ALA H . 16238 1 803 . 1 1 73 73 ALA HA H 1 4.23 0.02 . 1 . . . . 73 ALA HA . 16238 1 804 . 1 1 73 73 ALA HB1 H 1 1.57 0.02 . 1 . . . . 73 ALA HB . 16238 1 805 . 1 1 73 73 ALA HB2 H 1 1.57 0.02 . 1 . . . . 73 ALA HB . 16238 1 806 . 1 1 73 73 ALA HB3 H 1 1.57 0.02 . 1 . . . . 73 ALA HB . 16238 1 807 . 1 1 73 73 ALA C C 13 176.3 0.2 . 1 . . . . 73 ALA C . 16238 1 808 . 1 1 73 73 ALA CA C 13 53.2 0.2 . 1 . . . . 73 ALA CA . 16238 1 809 . 1 1 73 73 ALA CB C 13 21.0 0.2 . 1 . . . . 73 ALA CB . 16238 1 810 . 1 1 73 73 ALA N N 15 123.4 0.2 . 1 . . . . 73 ALA N . 16238 1 811 . 1 1 74 74 THR H H 1 8.22 0.02 . 1 . . . . 74 THR H . 16238 1 812 . 1 1 74 74 THR HA H 1 4.56 0.02 . 1 . . . . 74 THR HA . 16238 1 813 . 1 1 74 74 THR HB H 1 4.83 0.02 . 1 . . . . 74 THR HB . 16238 1 814 . 1 1 74 74 THR HG21 H 1 1.14 0.02 . 1 . . . . 74 THR HG2 . 16238 1 815 . 1 1 74 74 THR HG22 H 1 1.14 0.02 . 1 . . . . 74 THR HG2 . 16238 1 816 . 1 1 74 74 THR HG23 H 1 1.14 0.02 . 1 . . . . 74 THR HG2 . 16238 1 817 . 1 1 74 74 THR C C 13 174.1 0.2 . 1 . . . . 74 THR C . 16238 1 818 . 1 1 74 74 THR CA C 13 60.2 0.2 . 1 . . . . 74 THR CA . 16238 1 819 . 1 1 74 74 THR CB C 13 69.9 0.2 . 1 . . . . 74 THR CB . 16238 1 820 . 1 1 74 74 THR CG2 C 13 21.4 0.2 . 1 . . . . 74 THR CG2 . 16238 1 821 . 1 1 74 74 THR N N 15 104.6 0.2 . 1 . . . . 74 THR N . 16238 1 822 . 1 1 75 75 GLU H H 1 7.31 0.02 . 1 . . . . 75 GLU H . 16238 1 823 . 1 1 75 75 GLU HA H 1 5.19 0.02 . 1 . . . . 75 GLU HA . 16238 1 824 . 1 1 75 75 GLU HB2 H 1 1.69 0.02 . 2 . . . . 75 GLU HB2 . 16238 1 825 . 1 1 75 75 GLU HB3 H 1 1.93 0.02 . 2 . . . . 75 GLU HB3 . 16238 1 826 . 1 1 75 75 GLU HG2 H 1 1.92 0.02 . 2 . . . . 75 GLU HG2 . 16238 1 827 . 1 1 75 75 GLU HG3 H 1 2.14 0.02 . 2 . . . . 75 GLU HG3 . 16238 1 828 . 1 1 75 75 GLU C C 13 173.6 0.2 . 1 . . . . 75 GLU C . 16238 1 829 . 1 1 75 75 GLU CA C 13 54.1 0.2 . 1 . . . . 75 GLU CA . 16238 1 830 . 1 1 75 75 GLU CB C 13 34.1 0.2 . 1 . . . . 75 GLU CB . 16238 1 831 . 1 1 75 75 GLU CG C 13 35.6 0.2 . 1 . . . . 75 GLU CG . 16238 1 832 . 1 1 75 75 GLU N N 15 119.1 0.2 . 1 . . . . 75 GLU N . 16238 1 833 . 1 1 76 76 LEU H H 1 8.40 0.02 . 1 . . . . 76 LEU H . 16238 1 834 . 1 1 76 76 LEU HA H 1 4.65 0.02 . 1 . . . . 76 LEU HA . 16238 1 835 . 1 1 76 76 LEU HB2 H 1 1.23 0.02 . 2 . . . . 76 LEU HB2 . 16238 1 836 . 1 1 76 76 LEU HB3 H 1 1.49 0.02 . 2 . . . . 76 LEU HB3 . 16238 1 837 . 1 1 76 76 LEU HD11 H 1 0.79 0.02 . 1 . . . . 76 LEU HD1 . 16238 1 838 . 1 1 76 76 LEU HD12 H 1 0.79 0.02 . 1 . . . . 76 LEU HD1 . 16238 1 839 . 1 1 76 76 LEU HD13 H 1 0.79 0.02 . 1 . . . . 76 LEU HD1 . 16238 1 840 . 1 1 76 76 LEU HD21 H 1 0.69 0.02 . 1 . . . . 76 LEU HD2 . 16238 1 841 . 1 1 76 76 LEU HD22 H 1 0.69 0.02 . 1 . . . . 76 LEU HD2 . 16238 1 842 . 1 1 76 76 LEU HD23 H 1 0.69 0.02 . 1 . . . . 76 LEU HD2 . 16238 1 843 . 1 1 76 76 LEU HG H 1 1.59 0.02 . 1 . . . . 76 LEU HG . 16238 1 844 . 1 1 76 76 LEU C C 13 174.1 0.2 . 1 . . . . 76 LEU C . 16238 1 845 . 1 1 76 76 LEU CA C 13 54.2 0.2 . 1 . . . . 76 LEU CA . 16238 1 846 . 1 1 76 76 LEU CB C 13 47.4 0.2 . 1 . . . . 76 LEU CB . 16238 1 847 . 1 1 76 76 LEU CD1 C 13 26.8 0.02 . 1 . . . . 76 LEU CD1 . 16238 1 848 . 1 1 76 76 LEU CD2 C 13 26.4 0.02 . 1 . . . . 76 LEU CD2 . 16238 1 849 . 1 1 76 76 LEU CG C 13 27.0 0.2 . 1 . . . . 76 LEU CG . 16238 1 850 . 1 1 76 76 LEU N N 15 122.6 0.2 . 1 . . . . 76 LEU N . 16238 1 851 . 1 1 77 77 HIS H H 1 9.34 0.02 . 1 . . . . 77 HIS H . 16238 1 852 . 1 1 77 77 HIS HA H 1 5.44 0.02 . 1 . . . . 77 HIS HA . 16238 1 853 . 1 1 77 77 HIS HB2 H 1 2.99 0.02 . 2 . . . . 77 HIS HB2 . 16238 1 854 . 1 1 77 77 HIS HB3 H 1 3.32 0.02 . 2 . . . . 77 HIS HB3 . 16238 1 855 . 1 1 77 77 HIS C C 13 172.7 0.2 . 1 . . . . 77 HIS C . 16238 1 856 . 1 1 77 77 HIS CA C 13 54.4 0.2 . 1 . . . . 77 HIS CA . 16238 1 857 . 1 1 77 77 HIS CB C 13 31.7 0.2 . 1 . . . . 77 HIS CB . 16238 1 858 . 1 1 77 77 HIS N N 15 123.5 0.2 . 1 . . . . 77 HIS N . 16238 1 859 . 1 1 78 78 ALA H H 1 9.19 0.02 . 1 . . . . 78 ALA H . 16238 1 860 . 1 1 78 78 ALA HA H 1 5.62 0.02 . 1 . . . . 78 ALA HA . 16238 1 861 . 1 1 78 78 ALA HB1 H 1 1.17 0.02 . 1 . . . . 78 ALA HB . 16238 1 862 . 1 1 78 78 ALA HB2 H 1 1.17 0.02 . 1 . . . . 78 ALA HB . 16238 1 863 . 1 1 78 78 ALA HB3 H 1 1.17 0.02 . 1 . . . . 78 ALA HB . 16238 1 864 . 1 1 78 78 ALA C C 13 175.6 0.2 . 1 . . . . 78 ALA C . 16238 1 865 . 1 1 78 78 ALA CA C 13 50.3 0.2 . 1 . . . . 78 ALA CA . 16238 1 866 . 1 1 78 78 ALA CB C 13 24.1 0.2 . 1 . . . . 78 ALA CB . 16238 1 867 . 1 1 78 78 ALA N N 15 124.8 0.2 . 1 . . . . 78 ALA N . 16238 1 868 . 1 1 79 79 ARG H H 1 8.68 0.02 . 1 . . . . 79 ARG H . 16238 1 869 . 1 1 79 79 ARG HA H 1 5.23 0.02 . 1 . . . . 79 ARG HA . 16238 1 870 . 1 1 79 79 ARG HB2 H 1 1.13 0.02 . 2 . . . . 79 ARG HB2 . 16238 1 871 . 1 1 79 79 ARG HB3 H 1 1.13 0.02 . 2 . . . . 79 ARG HB3 . 16238 1 872 . 1 1 79 79 ARG HG2 H 1 1.30 0.02 . 2 . . . . 79 ARG HG2 . 16238 1 873 . 1 1 79 79 ARG HG3 H 1 1.30 0.02 . 2 . . . . 79 ARG HG3 . 16238 1 874 . 1 1 79 79 ARG C C 13 173.9 0.2 . 1 . . . . 79 ARG C . 16238 1 875 . 1 1 79 79 ARG CA C 13 55.3 0.2 . 1 . . . . 79 ARG CA . 16238 1 876 . 1 1 79 79 ARG CB C 13 34.4 0.2 . 1 . . . . 79 ARG CB . 16238 1 877 . 1 1 79 79 ARG CD C 13 43.2 0.2 . 1 . . . . 79 ARG CD . 16238 1 878 . 1 1 79 79 ARG CG C 13 34.4 0.2 . 1 . . . . 79 ARG CG . 16238 1 879 . 1 1 79 79 ARG N N 15 119.1 0.2 . 1 . . . . 79 ARG N . 16238 1 880 . 1 1 80 80 PHE H H 1 8.97 0.02 . 1 . . . . 80 PHE H . 16238 1 881 . 1 1 80 80 PHE HA H 1 4.72 0.02 . 1 . . . . 80 PHE HA . 16238 1 882 . 1 1 80 80 PHE HB2 H 1 2.06 0.02 . 2 . . . . 80 PHE HB2 . 16238 1 883 . 1 1 80 80 PHE HB3 H 1 2.72 0.02 . 2 . . . . 80 PHE HB3 . 16238 1 884 . 1 1 80 80 PHE HD1 H 1 6.82 0.02 . 3 . . . . 80 PHE HD1 . 16238 1 885 . 1 1 80 80 PHE HD2 H 1 6.82 0.02 . 3 . . . . 80 PHE HD2 . 16238 1 886 . 1 1 80 80 PHE HE1 H 1 6.72 0.02 . 3 . . . . 80 PHE HE1 . 16238 1 887 . 1 1 80 80 PHE HE2 H 1 6.72 0.02 . 3 . . . . 80 PHE HE2 . 16238 1 888 . 1 1 80 80 PHE HZ H 1 6.70 0.02 . 1 . . . . 80 PHE HZ . 16238 1 889 . 1 1 80 80 PHE C C 13 172.7 0.2 . 1 . . . . 80 PHE C . 16238 1 890 . 1 1 80 80 PHE CA C 13 56.3 0.2 . 1 . . . . 80 PHE CA . 16238 1 891 . 1 1 80 80 PHE CB C 13 42.6 0.2 . 1 . . . . 80 PHE CB . 16238 1 892 . 1 1 80 80 PHE CD1 C 13 132.0 0.02 . 3 . . . . 80 PHE CD1 . 16238 1 893 . 1 1 80 80 PHE CD2 C 13 132.0 0.02 . 3 . . . . 80 PHE CD2 . 16238 1 894 . 1 1 80 80 PHE CE1 C 13 130.1 0.02 . 3 . . . . 80 PHE CE1 . 16238 1 895 . 1 1 80 80 PHE CE2 C 13 130.1 0.02 . 3 . . . . 80 PHE CE2 . 16238 1 896 . 1 1 80 80 PHE CZ C 13 127.7 0.2 . 1 . . . . 80 PHE CZ . 16238 1 897 . 1 1 80 80 PHE N N 15 119.2 0.2 . 1 . . . . 80 PHE N . 16238 1 898 . 1 1 81 81 LYS H H 1 9.35 0.02 . 1 . . . . 81 LYS H . 16238 1 899 . 1 1 81 81 LYS HA H 1 4.80 0.02 . 1 . . . . 81 LYS HA . 16238 1 900 . 1 1 81 81 LYS HB2 H 1 1.33 0.02 . 2 . . . . 81 LYS HB2 . 16238 1 901 . 1 1 81 81 LYS HB3 H 1 1.82 0.02 . 2 . . . . 81 LYS HB3 . 16238 1 902 . 1 1 81 81 LYS HD2 H 1 1.47 0.02 . 2 . . . . 81 LYS HD2 . 16238 1 903 . 1 1 81 81 LYS HD3 H 1 1.65 0.02 . 2 . . . . 81 LYS HD3 . 16238 1 904 . 1 1 81 81 LYS HE2 H 1 2.94 0.02 . 2 . . . . 81 LYS HE2 . 16238 1 905 . 1 1 81 81 LYS HE3 H 1 2.94 0.02 . 2 . . . . 81 LYS HE3 . 16238 1 906 . 1 1 81 81 LYS HG2 H 1 1.20 0.02 . 2 . . . . 81 LYS HG2 . 16238 1 907 . 1 1 81 81 LYS HG3 H 1 1.31 0.02 . 2 . . . . 81 LYS HG3 . 16238 1 908 . 1 1 81 81 LYS C C 13 174.5 0.2 . 1 . . . . 81 LYS C . 16238 1 909 . 1 1 81 81 LYS CA C 13 55.6 0.2 . 1 . . . . 81 LYS CA . 16238 1 910 . 1 1 81 81 LYS CB C 13 35.2 0.2 . 1 . . . . 81 LYS CB . 16238 1 911 . 1 1 81 81 LYS CD C 13 29.7 0.2 . 1 . . . . 81 LYS CD . 16238 1 912 . 1 1 81 81 LYS CE C 13 41.6 0.2 . 1 . . . . 81 LYS CE . 16238 1 913 . 1 1 81 81 LYS CG C 13 24.7 0.2 . 1 . . . . 81 LYS CG . 16238 1 914 . 1 1 81 81 LYS N N 15 124.5 0.2 . 1 . . . . 81 LYS N . 16238 1 915 . 1 1 82 82 PHE H H 1 8.84 0.02 . 1 . . . . 82 PHE H . 16238 1 916 . 1 1 82 82 PHE HA H 1 4.55 0.02 . 1 . . . . 82 PHE HA . 16238 1 917 . 1 1 82 82 PHE HB2 H 1 2.66 0.02 . 2 . . . . 82 PHE HB2 . 16238 1 918 . 1 1 82 82 PHE HB3 H 1 3.90 0.02 . 2 . . . . 82 PHE HB3 . 16238 1 919 . 1 1 82 82 PHE HD1 H 1 7.23 0.02 . 3 . . . . 82 PHE HD1 . 16238 1 920 . 1 1 82 82 PHE HD2 H 1 7.23 0.02 . 3 . . . . 82 PHE HD2 . 16238 1 921 . 1 1 82 82 PHE HE1 H 1 7.05 0.02 . 3 . . . . 82 PHE HE1 . 16238 1 922 . 1 1 82 82 PHE HE2 H 1 7.05 0.02 . 3 . . . . 82 PHE HE2 . 16238 1 923 . 1 1 82 82 PHE HZ H 1 5.82 0.02 . 1 . . . . 82 PHE HZ . 16238 1 924 . 1 1 82 82 PHE C C 13 173.2 0.2 . 1 . . . . 82 PHE C . 16238 1 925 . 1 1 82 82 PHE CA C 13 57.8 0.2 . 1 . . . . 82 PHE CA . 16238 1 926 . 1 1 82 82 PHE CB C 13 40.1 0.2 . 1 . . . . 82 PHE CB . 16238 1 927 . 1 1 82 82 PHE CD1 C 13 132.3 0.02 . 3 . . . . 82 PHE CD1 . 16238 1 928 . 1 1 82 82 PHE CD2 C 13 132.3 0.02 . 3 . . . . 82 PHE CD2 . 16238 1 929 . 1 1 82 82 PHE CE1 C 13 130.6 0.02 . 3 . . . . 82 PHE CE1 . 16238 1 930 . 1 1 82 82 PHE CE2 C 13 130.6 0.02 . 3 . . . . 82 PHE CE2 . 16238 1 931 . 1 1 82 82 PHE CZ C 13 128.4 0.2 . 1 . . . . 82 PHE CZ . 16238 1 932 . 1 1 82 82 PHE N N 15 127.9 0.2 . 1 . . . . 82 PHE N . 16238 1 933 . 1 1 83 83 GLU H H 1 7.59 0.02 . 1 . . . . 83 GLU H . 16238 1 934 . 1 1 83 83 GLU HA H 1 4.12 0.02 . 1 . . . . 83 GLU HA . 16238 1 935 . 1 1 83 83 GLU HB2 H 1 1.79 0.02 . 2 . . . . 83 GLU HB2 . 16238 1 936 . 1 1 83 83 GLU HB3 H 1 1.90 0.02 . 2 . . . . 83 GLU HB3 . 16238 1 937 . 1 1 83 83 GLU HG2 H 1 2.13 0.02 . 2 . . . . 83 GLU HG2 . 16238 1 938 . 1 1 83 83 GLU HG3 H 1 2.19 0.02 . 2 . . . . 83 GLU HG3 . 16238 1 939 . 1 1 83 83 GLU C C 13 177.5 0.2 . 1 . . . . 83 GLU C . 16238 1 940 . 1 1 83 83 GLU CA C 13 58.9 0.2 . 1 . . . . 83 GLU CA . 16238 1 941 . 1 1 83 83 GLU CB C 13 29.9 0.2 . 1 . . . . 83 GLU CB . 16238 1 942 . 1 1 83 83 GLU CG C 13 36.3 0.2 . 1 . . . . 83 GLU CG . 16238 1 943 . 1 1 83 83 GLU N N 15 119.4 0.2 . 1 . . . . 83 GLU N . 16238 1 944 . 1 1 84 84 VAL H H 1 7.47 0.02 . 1 . . . . 84 VAL H . 16238 1 945 . 1 1 84 84 VAL HA H 1 4.77 0.02 . 1 . . . . 84 VAL HA . 16238 1 946 . 1 1 84 84 VAL HB H 1 2.39 0.02 . 1 . . . . 84 VAL HB . 16238 1 947 . 1 1 84 84 VAL HG11 H 1 0.90 0.02 . 1 . . . . 84 VAL HG1 . 16238 1 948 . 1 1 84 84 VAL HG12 H 1 0.90 0.02 . 1 . . . . 84 VAL HG1 . 16238 1 949 . 1 1 84 84 VAL HG13 H 1 0.90 0.02 . 1 . . . . 84 VAL HG1 . 16238 1 950 . 1 1 84 84 VAL HG21 H 1 0.80 0.02 . 1 . . . . 84 VAL HG2 . 16238 1 951 . 1 1 84 84 VAL HG22 H 1 0.80 0.02 . 1 . . . . 84 VAL HG2 . 16238 1 952 . 1 1 84 84 VAL HG23 H 1 0.80 0.02 . 1 . . . . 84 VAL HG2 . 16238 1 953 . 1 1 84 84 VAL C C 13 177.1 0.2 . 1 . . . . 84 VAL C . 16238 1 954 . 1 1 84 84 VAL CA C 13 58.5 0.2 . 1 . . . . 84 VAL CA . 16238 1 955 . 1 1 84 84 VAL CB C 13 36.0 0.2 . 1 . . . . 84 VAL CB . 16238 1 956 . 1 1 84 84 VAL CG1 C 13 22.4 0.02 . 1 . . . . 84 VAL CG1 . 16238 1 957 . 1 1 84 84 VAL CG2 C 13 18.8 0.02 . 1 . . . . 84 VAL CG2 . 16238 1 958 . 1 1 84 84 VAL N N 15 108.0 0.2 . 1 . . . . 84 VAL N . 16238 1 959 . 1 1 85 85 SER H H 1 8.98 0.02 . 1 . . . . 85 SER H . 16238 1 960 . 1 1 85 85 SER HA H 1 4.16 0.02 . 1 . . . . 85 SER HA . 16238 1 961 . 1 1 85 85 SER HB2 H 1 3.77 0.02 . 2 . . . . 85 SER HB2 . 16238 1 962 . 1 1 85 85 SER HB3 H 1 3.77 0.02 . 2 . . . . 85 SER HB3 . 16238 1 963 . 1 1 85 85 SER C C 13 176.9 0.2 . 1 . . . . 85 SER C . 16238 1 964 . 1 1 85 85 SER CA C 13 61.2 0.2 . 1 . . . . 85 SER CA . 16238 1 965 . 1 1 85 85 SER CB C 13 62.6 0.2 . 1 . . . . 85 SER CB . 16238 1 966 . 1 1 85 85 SER N N 15 120.3 0.2 . 1 . . . . 85 SER N . 16238 1 967 . 1 1 86 86 ALA H H 1 8.37 0.02 . 1 . . . . 86 ALA H . 16238 1 968 . 1 1 86 86 ALA HA H 1 4.00 0.02 . 1 . . . . 86 ALA HA . 16238 1 969 . 1 1 86 86 ALA HB1 H 1 1.38 0.02 . 1 . . . . 86 ALA HB . 16238 1 970 . 1 1 86 86 ALA HB2 H 1 1.38 0.02 . 1 . . . . 86 ALA HB . 16238 1 971 . 1 1 86 86 ALA HB3 H 1 1.38 0.02 . 1 . . . . 86 ALA HB . 16238 1 972 . 1 1 86 86 ALA C C 13 180.5 0.2 . 1 . . . . 86 ALA C . 16238 1 973 . 1 1 86 86 ALA CA C 13 55.6 0.2 . 1 . . . . 86 ALA CA . 16238 1 974 . 1 1 86 86 ALA CB C 13 18.5 0.2 . 1 . . . . 86 ALA CB . 16238 1 975 . 1 1 86 86 ALA N N 15 121.8 0.2 . 1 . . . . 86 ALA N . 16238 1 976 . 1 1 87 87 GLU H H 1 6.92 0.02 . 1 . . . . 87 GLU H . 16238 1 977 . 1 1 87 87 GLU HA H 1 3.64 0.02 . 1 . . . . 87 GLU HA . 16238 1 978 . 1 1 87 87 GLU HB2 H 1 1.62 0.02 . 2 . . . . 87 GLU HB2 . 16238 1 979 . 1 1 87 87 GLU HB3 H 1 2.41 0.02 . 2 . . . . 87 GLU HB3 . 16238 1 980 . 1 1 87 87 GLU HG2 H 1 2.17 0.02 . 2 . . . . 87 GLU HG2 . 16238 1 981 . 1 1 87 87 GLU HG3 H 1 2.24 0.02 . 2 . . . . 87 GLU HG3 . 16238 1 982 . 1 1 87 87 GLU C C 13 176.7 0.2 . 1 . . . . 87 GLU C . 16238 1 983 . 1 1 87 87 GLU CA C 13 58.0 0.2 . 1 . . . . 87 GLU CA . 16238 1 984 . 1 1 87 87 GLU CB C 13 29.3 0.2 . 1 . . . . 87 GLU CB . 16238 1 985 . 1 1 87 87 GLU CG C 13 35.6 0.2 . 1 . . . . 87 GLU CG . 16238 1 986 . 1 1 87 87 GLU N N 15 114.8 0.2 . 1 . . . . 87 GLU N . 16238 1 987 . 1 1 88 88 LYS H H 1 6.52 0.02 . 1 . . . . 88 LYS H . 16238 1 988 . 1 1 88 88 LYS HA H 1 3.14 0.02 . 1 . . . . 88 LYS HA . 16238 1 989 . 1 1 88 88 LYS HB2 H 1 1.66 0.02 . 2 . . . . 88 LYS HB2 . 16238 1 990 . 1 1 88 88 LYS HB3 H 1 2.23 0.02 . 2 . . . . 88 LYS HB3 . 16238 1 991 . 1 1 88 88 LYS HD2 H 1 1.49 0.02 . 2 . . . . 88 LYS HD2 . 16238 1 992 . 1 1 88 88 LYS HD3 H 1 1.61 0.02 . 2 . . . . 88 LYS HD3 . 16238 1 993 . 1 1 88 88 LYS HE2 H 1 2.96 0.02 . 2 . . . . 88 LYS HE2 . 16238 1 994 . 1 1 88 88 LYS HE3 H 1 2.96 0.02 . 2 . . . . 88 LYS HE3 . 16238 1 995 . 1 1 88 88 LYS HG2 H 1 1.30 0.02 . 2 . . . . 88 LYS HG2 . 16238 1 996 . 1 1 88 88 LYS HG3 H 1 1.37 0.02 . 2 . . . . 88 LYS HG3 . 16238 1 997 . 1 1 88 88 LYS C C 13 178.1 0.2 . 1 . . . . 88 LYS C . 16238 1 998 . 1 1 88 88 LYS CA C 13 59.7 0.2 . 1 . . . . 88 LYS CA . 16238 1 999 . 1 1 88 88 LYS CB C 13 32.3 0.2 . 1 . . . . 88 LYS CB . 16238 1 1000 . 1 1 88 88 LYS CD C 13 29.5 0.2 . 1 . . . . 88 LYS CD . 16238 1 1001 . 1 1 88 88 LYS CE C 13 42.7 0.2 . 1 . . . . 88 LYS CE . 16238 1 1002 . 1 1 88 88 LYS CG C 13 25.0 0.2 . 1 . . . . 88 LYS CG . 16238 1 1003 . 1 1 88 88 LYS N N 15 119.9 0.2 . 1 . . . . 88 LYS N . 16238 1 1004 . 1 1 89 89 LEU H H 1 7.92 0.02 . 1 . . . . 89 LEU H . 16238 1 1005 . 1 1 89 89 LEU HA H 1 4.08 0.02 . 1 . . . . 89 LEU HA . 16238 1 1006 . 1 1 89 89 LEU HB2 H 1 1.52 0.02 . 2 . . . . 89 LEU HB2 . 16238 1 1007 . 1 1 89 89 LEU HB3 H 1 1.75 0.02 . 2 . . . . 89 LEU HB3 . 16238 1 1008 . 1 1 89 89 LEU HD11 H 1 0.86 0.02 . 1 . . . . 89 LEU HD1 . 16238 1 1009 . 1 1 89 89 LEU HD12 H 1 0.86 0.02 . 1 . . . . 89 LEU HD1 . 16238 1 1010 . 1 1 89 89 LEU HD13 H 1 0.86 0.02 . 1 . . . . 89 LEU HD1 . 16238 1 1011 . 1 1 89 89 LEU HD21 H 1 0.87 0.02 . 1 . . . . 89 LEU HD2 . 16238 1 1012 . 1 1 89 89 LEU HD22 H 1 0.87 0.02 . 1 . . . . 89 LEU HD2 . 16238 1 1013 . 1 1 89 89 LEU HD23 H 1 0.87 0.02 . 1 . . . . 89 LEU HD2 . 16238 1 1014 . 1 1 89 89 LEU HG H 1 1.70 0.02 . 1 . . . . 89 LEU HG . 16238 1 1015 . 1 1 89 89 LEU C C 13 179.9 0.2 . 1 . . . . 89 LEU C . 16238 1 1016 . 1 1 89 89 LEU CA C 13 58.0 0.2 . 1 . . . . 89 LEU CA . 16238 1 1017 . 1 1 89 89 LEU CB C 13 41.5 0.2 . 1 . . . . 89 LEU CB . 16238 1 1018 . 1 1 89 89 LEU CD1 C 13 24.9 0.02 . 1 . . . . 89 LEU CD1 . 16238 1 1019 . 1 1 89 89 LEU CD2 C 13 23.2 0.02 . 1 . . . . 89 LEU CD2 . 16238 1 1020 . 1 1 89 89 LEU CG C 13 26.9 0.2 . 1 . . . . 89 LEU CG . 16238 1 1021 . 1 1 89 89 LEU N N 15 118.2 0.2 . 1 . . . . 89 LEU N . 16238 1 1022 . 1 1 90 90 ILE H H 1 7.57 0.02 . 1 . . . . 90 ILE H . 16238 1 1023 . 1 1 90 90 ILE HA H 1 3.71 0.02 . 1 . . . . 90 ILE HA . 16238 1 1024 . 1 1 90 90 ILE HB H 1 1.80 0.02 . 1 . . . . 90 ILE HB . 16238 1 1025 . 1 1 90 90 ILE HD11 H 1 0.82 0.02 . 1 . . . . 90 ILE HD1 . 16238 1 1026 . 1 1 90 90 ILE HD12 H 1 0.82 0.02 . 1 . . . . 90 ILE HD1 . 16238 1 1027 . 1 1 90 90 ILE HD13 H 1 0.82 0.02 . 1 . . . . 90 ILE HD1 . 16238 1 1028 . 1 1 90 90 ILE HG12 H 1 1.69 0.02 . 2 . . . . 90 ILE HG12 . 16238 1 1029 . 1 1 90 90 ILE HG13 H 1 1.15 0.02 . 2 . . . . 90 ILE HG13 . 16238 1 1030 . 1 1 90 90 ILE HG21 H 1 0.93 0.02 . 1 . . . . 90 ILE HG2 . 16238 1 1031 . 1 1 90 90 ILE HG22 H 1 0.93 0.02 . 1 . . . . 90 ILE HG2 . 16238 1 1032 . 1 1 90 90 ILE HG23 H 1 0.93 0.02 . 1 . . . . 90 ILE HG2 . 16238 1 1033 . 1 1 90 90 ILE C C 13 178.0 0.2 . 1 . . . . 90 ILE C . 16238 1 1034 . 1 1 90 90 ILE CA C 13 64.7 0.2 . 1 . . . . 90 ILE CA . 16238 1 1035 . 1 1 90 90 ILE CB C 13 37.6 0.2 . 1 . . . . 90 ILE CB . 16238 1 1036 . 1 1 90 90 ILE CD1 C 13 12.8 0.2 . 1 . . . . 90 ILE CD1 . 16238 1 1037 . 1 1 90 90 ILE CG1 C 13 29.1 0.2 . 1 . . . . 90 ILE CG1 . 16238 1 1038 . 1 1 90 90 ILE CG2 C 13 18.2 0.2 . 1 . . . . 90 ILE CG2 . 16238 1 1039 . 1 1 90 90 ILE N N 15 120.4 0.2 . 1 . . . . 90 ILE N . 16238 1 1040 . 1 1 91 91 PHE H H 1 8.18 0.02 . 1 . . . . 91 PHE H . 16238 1 1041 . 1 1 91 91 PHE HA H 1 3.92 0.02 . 1 . . . . 91 PHE HA . 16238 1 1042 . 1 1 91 91 PHE HB2 H 1 2.68 0.02 . 2 . . . . 91 PHE HB2 . 16238 1 1043 . 1 1 91 91 PHE HB3 H 1 2.87 0.02 . 2 . . . . 91 PHE HB3 . 16238 1 1044 . 1 1 91 91 PHE HD1 H 1 6.84 0.02 . 3 . . . . 91 PHE HD1 . 16238 1 1045 . 1 1 91 91 PHE HD2 H 1 6.84 0.02 . 3 . . . . 91 PHE HD2 . 16238 1 1046 . 1 1 91 91 PHE HE1 H 1 7.05 0.02 . 3 . . . . 91 PHE HE1 . 16238 1 1047 . 1 1 91 91 PHE HE2 H 1 7.05 0.02 . 3 . . . . 91 PHE HE2 . 16238 1 1048 . 1 1 91 91 PHE HZ H 1 6.24 0.02 . 1 . . . . 91 PHE HZ . 16238 1 1049 . 1 1 91 91 PHE C C 13 177.2 0.2 . 1 . . . . 91 PHE C . 16238 1 1050 . 1 1 91 91 PHE CA C 13 61.6 0.2 . 1 . . . . 91 PHE CA . 16238 1 1051 . 1 1 91 91 PHE CB C 13 39.6 0.2 . 1 . . . . 91 PHE CB . 16238 1 1052 . 1 1 91 91 PHE CD1 C 13 132.0 0.02 . 3 . . . . 91 PHE CD1 . 16238 1 1053 . 1 1 91 91 PHE CD2 C 13 132.0 0.02 . 3 . . . . 91 PHE CD2 . 16238 1 1054 . 1 1 91 91 PHE CE1 C 13 133.2 0.02 . 3 . . . . 91 PHE CE1 . 16238 1 1055 . 1 1 91 91 PHE CE2 C 13 133.2 0.02 . 3 . . . . 91 PHE CE2 . 16238 1 1056 . 1 1 91 91 PHE CZ C 13 129.4 0.2 . 1 . . . . 91 PHE CZ . 16238 1 1057 . 1 1 91 91 PHE N N 15 120.1 0.2 . 1 . . . . 91 PHE N . 16238 1 1058 . 1 1 92 92 GLU H H 1 8.47 0.02 . 1 . . . . 92 GLU H . 16238 1 1059 . 1 1 92 92 GLU HA H 1 3.62 0.02 . 1 . . . . 92 GLU HA . 16238 1 1060 . 1 1 92 92 GLU HB2 H 1 1.94 0.02 . 2 . . . . 92 GLU HB2 . 16238 1 1061 . 1 1 92 92 GLU HB3 H 1 2.18 0.02 . 2 . . . . 92 GLU HB3 . 16238 1 1062 . 1 1 92 92 GLU HG2 H 1 2.14 0.02 . 2 . . . . 92 GLU HG2 . 16238 1 1063 . 1 1 92 92 GLU HG3 H 1 2.71 0.02 . 2 . . . . 92 GLU HG3 . 16238 1 1064 . 1 1 92 92 GLU C C 13 179.1 0.2 . 1 . . . . 92 GLU C . 16238 1 1065 . 1 1 92 92 GLU CA C 13 60.1 0.2 . 1 . . . . 92 GLU CA . 16238 1 1066 . 1 1 92 92 GLU CB C 13 29.3 0.2 . 1 . . . . 92 GLU CB . 16238 1 1067 . 1 1 92 92 GLU CG C 13 38.0 0.2 . 1 . . . . 92 GLU CG . 16238 1 1068 . 1 1 92 92 GLU N N 15 118.8 0.2 . 1 . . . . 92 GLU N . 16238 1 1069 . 1 1 93 93 LEU H H 1 7.98 0.02 . 1 . . . . 93 LEU H . 16238 1 1070 . 1 1 93 93 LEU HA H 1 4.00 0.02 . 1 . . . . 93 LEU HA . 16238 1 1071 . 1 1 93 93 LEU HB2 H 1 1.68 0.02 . 2 . . . . 93 LEU HB2 . 16238 1 1072 . 1 1 93 93 LEU HB3 H 1 1.85 0.02 . 2 . . . . 93 LEU HB3 . 16238 1 1073 . 1 1 93 93 LEU HD11 H 1 0.86 0.02 . 1 . . . . 93 LEU HD1 . 16238 1 1074 . 1 1 93 93 LEU HD12 H 1 0.86 0.02 . 1 . . . . 93 LEU HD1 . 16238 1 1075 . 1 1 93 93 LEU HD13 H 1 0.86 0.02 . 1 . . . . 93 LEU HD1 . 16238 1 1076 . 1 1 93 93 LEU HD21 H 1 0.83 0.02 . 1 . . . . 93 LEU HD2 . 16238 1 1077 . 1 1 93 93 LEU HD22 H 1 0.83 0.02 . 1 . . . . 93 LEU HD2 . 16238 1 1078 . 1 1 93 93 LEU HD23 H 1 0.83 0.02 . 1 . . . . 93 LEU HD2 . 16238 1 1079 . 1 1 93 93 LEU HG H 1 1.73 0.02 . 1 . . . . 93 LEU HG . 16238 1 1080 . 1 1 93 93 LEU C C 13 180.6 0.2 . 1 . . . . 93 LEU C . 16238 1 1081 . 1 1 93 93 LEU CA C 13 58.3 0.2 . 1 . . . . 93 LEU CA . 16238 1 1082 . 1 1 93 93 LEU CB C 13 41.7 0.2 . 1 . . . . 93 LEU CB . 16238 1 1083 . 1 1 93 93 LEU CD1 C 13 24.9 0.02 . 1 . . . . 93 LEU CD1 . 16238 1 1084 . 1 1 93 93 LEU CD2 C 13 23.9 0.02 . 1 . . . . 93 LEU CD2 . 16238 1 1085 . 1 1 93 93 LEU CG C 13 26.8 0.2 . 1 . . . . 93 LEU CG . 16238 1 1086 . 1 1 93 93 LEU N N 15 120.8 0.2 . 1 . . . . 93 LEU N . 16238 1 1087 . 1 1 94 94 LYS H H 1 8.34 0.02 . 1 . . . . 94 LYS H . 16238 1 1088 . 1 1 94 94 LYS HA H 1 3.99 0.02 . 1 . . . . 94 LYS HA . 16238 1 1089 . 1 1 94 94 LYS HB2 H 1 1.80 0.02 . 2 . . . . 94 LYS HB2 . 16238 1 1090 . 1 1 94 94 LYS HB3 H 1 1.80 0.02 . 2 . . . . 94 LYS HB3 . 16238 1 1091 . 1 1 94 94 LYS HD2 H 1 1.46 0.02 . 2 . . . . 94 LYS HD2 . 16238 1 1092 . 1 1 94 94 LYS HD3 H 1 1.53 0.02 . 2 . . . . 94 LYS HD3 . 16238 1 1093 . 1 1 94 94 LYS HE2 H 1 2.79 0.02 . 2 . . . . 94 LYS HE2 . 16238 1 1094 . 1 1 94 94 LYS HE3 H 1 2.92 0.02 . 2 . . . . 94 LYS HE3 . 16238 1 1095 . 1 1 94 94 LYS HG2 H 1 1.45 0.02 . 2 . . . . 94 LYS HG2 . 16238 1 1096 . 1 1 94 94 LYS HG3 H 1 1.61 0.02 . 2 . . . . 94 LYS HG3 . 16238 1 1097 . 1 1 94 94 LYS C C 13 179.6 0.2 . 1 . . . . 94 LYS C . 16238 1 1098 . 1 1 94 94 LYS CA C 13 59.2 0.2 . 1 . . . . 94 LYS CA . 16238 1 1099 . 1 1 94 94 LYS CB C 13 33.1 0.2 . 1 . . . . 94 LYS CB . 16238 1 1100 . 1 1 94 94 LYS CD C 13 29.5 0.2 . 1 . . . . 94 LYS CD . 16238 1 1101 . 1 1 94 94 LYS CE C 13 42.1 0.2 . 1 . . . . 94 LYS CE . 16238 1 1102 . 1 1 94 94 LYS CG C 13 25.8 0.2 . 1 . . . . 94 LYS CG . 16238 1 1103 . 1 1 94 94 LYS N N 15 119.3 0.2 . 1 . . . . 94 LYS N . 16238 1 1104 . 1 1 95 95 THR H H 1 8.10 0.02 . 1 . . . . 95 THR H . 16238 1 1105 . 1 1 95 95 THR HA H 1 3.64 0.02 . 1 . . . . 95 THR HA . 16238 1 1106 . 1 1 95 95 THR HB H 1 3.95 0.02 . 1 . . . . 95 THR HB . 16238 1 1107 . 1 1 95 95 THR HG21 H 1 0.26 0.02 . 1 . . . . 95 THR HG2 . 16238 1 1108 . 1 1 95 95 THR HG22 H 1 0.26 0.02 . 1 . . . . 95 THR HG2 . 16238 1 1109 . 1 1 95 95 THR HG23 H 1 0.26 0.02 . 1 . . . . 95 THR HG2 . 16238 1 1110 . 1 1 95 95 THR C C 13 176.8 0.2 . 1 . . . . 95 THR C . 16238 1 1111 . 1 1 95 95 THR CA C 13 63.8 0.2 . 1 . . . . 95 THR CA . 16238 1 1112 . 1 1 95 95 THR CB C 13 68.9 0.2 . 1 . . . . 95 THR CB . 16238 1 1113 . 1 1 95 95 THR CG2 C 13 22.6 0.2 . 1 . . . . 95 THR CG2 . 16238 1 1114 . 1 1 95 95 THR N N 15 109.7 0.2 . 1 . . . . 95 THR N . 16238 1 1115 . 1 1 96 96 ARG H H 1 7.57 0.02 . 1 . . . . 96 ARG H . 16238 1 1116 . 1 1 96 96 ARG HA H 1 4.06 0.02 . 1 . . . . 96 ARG HA . 16238 1 1117 . 1 1 96 96 ARG HB2 H 1 1.84 0.02 . 2 . . . . 96 ARG HB2 . 16238 1 1118 . 1 1 96 96 ARG HB3 H 1 1.92 0.02 . 2 . . . . 96 ARG HB3 . 16238 1 1119 . 1 1 96 96 ARG HD2 H 1 3.16 0.02 . 2 . . . . 96 ARG HD2 . 16238 1 1120 . 1 1 96 96 ARG HD3 H 1 3.16 0.02 . 2 . . . . 96 ARG HD3 . 16238 1 1121 . 1 1 96 96 ARG HE H 1 7.22 0.02 . 1 . . . . 96 ARG HE . 16238 1 1122 . 1 1 96 96 ARG HG2 H 1 1.68 0.02 . 2 . . . . 96 ARG HG2 . 16238 1 1123 . 1 1 96 96 ARG HG3 H 1 1.87 0.02 . 2 . . . . 96 ARG HG3 . 16238 1 1124 . 1 1 96 96 ARG C C 13 178.3 0.2 . 1 . . . . 96 ARG C . 16238 1 1125 . 1 1 96 96 ARG CA C 13 59.5 0.2 . 1 . . . . 96 ARG CA . 16238 1 1126 . 1 1 96 96 ARG CB C 13 29.8 0.2 . 1 . . . . 96 ARG CB . 16238 1 1127 . 1 1 96 96 ARG CD C 13 43.6 0.2 . 1 . . . . 96 ARG CD . 16238 1 1128 . 1 1 96 96 ARG CG C 13 27.2 0.2 . 1 . . . . 96 ARG CG . 16238 1 1129 . 1 1 96 96 ARG CZ C 13 159.6 0.2 . 1 . . . . 96 ARG CZ . 16238 1 1130 . 1 1 96 96 ARG N N 15 123.2 0.2 . 1 . . . . 96 ARG N . 16238 1 1131 . 1 1 96 96 ARG NE N 15 84.8 0.2 . 1 . . . . 96 ARG NE . 16238 1 1132 . 1 1 97 97 ALA H H 1 7.52 0.02 . 1 . . . . 97 ALA H . 16238 1 1133 . 1 1 97 97 ALA HA H 1 4.13 0.02 . 1 . . . . 97 ALA HA . 16238 1 1134 . 1 1 97 97 ALA HB1 H 1 1.40 0.02 . 1 . . . . 97 ALA HB . 16238 1 1135 . 1 1 97 97 ALA HB2 H 1 1.40 0.02 . 1 . . . . 97 ALA HB . 16238 1 1136 . 1 1 97 97 ALA HB3 H 1 1.40 0.02 . 1 . . . . 97 ALA HB . 16238 1 1137 . 1 1 97 97 ALA C C 13 179.5 0.2 . 1 . . . . 97 ALA C . 16238 1 1138 . 1 1 97 97 ALA CA C 13 54.1 0.2 . 1 . . . . 97 ALA CA . 16238 1 1139 . 1 1 97 97 ALA CB C 13 18.2 0.2 . 1 . . . . 97 ALA CB . 16238 1 1140 . 1 1 97 97 ALA N N 15 119.7 0.2 . 1 . . . . 97 ALA N . 16238 1 1141 . 1 1 98 98 LEU H H 1 7.37 0.02 . 1 . . . . 98 LEU H . 16238 1 1142 . 1 1 98 98 LEU HA H 1 4.07 0.02 . 1 . . . . 98 LEU HA . 16238 1 1143 . 1 1 98 98 LEU HB2 H 1 1.41 0.02 . 2 . . . . 98 LEU HB2 . 16238 1 1144 . 1 1 98 98 LEU HB3 H 1 1.59 0.02 . 2 . . . . 98 LEU HB3 . 16238 1 1145 . 1 1 98 98 LEU HD11 H 1 0.35 0.02 . 1 . . . . 98 LEU HD1 . 16238 1 1146 . 1 1 98 98 LEU HD12 H 1 0.35 0.02 . 1 . . . . 98 LEU HD1 . 16238 1 1147 . 1 1 98 98 LEU HD13 H 1 0.35 0.02 . 1 . . . . 98 LEU HD1 . 16238 1 1148 . 1 1 98 98 LEU HD21 H 1 0.57 0.02 . 1 . . . . 98 LEU HD2 . 16238 1 1149 . 1 1 98 98 LEU HD22 H 1 0.57 0.02 . 1 . . . . 98 LEU HD2 . 16238 1 1150 . 1 1 98 98 LEU HD23 H 1 0.57 0.02 . 1 . . . . 98 LEU HD2 . 16238 1 1151 . 1 1 98 98 LEU HG H 1 1.43 0.02 . 1 . . . . 98 LEU HG . 16238 1 1152 . 1 1 98 98 LEU C C 13 178.8 0.2 . 1 . . . . 98 LEU C . 16238 1 1153 . 1 1 98 98 LEU CA C 13 56.5 0.2 . 1 . . . . 98 LEU CA . 16238 1 1154 . 1 1 98 98 LEU CB C 13 41.7 0.2 . 1 . . . . 98 LEU CB . 16238 1 1155 . 1 1 98 98 LEU CD1 C 13 24.6 0.02 . 1 . . . . 98 LEU CD1 . 16238 1 1156 . 1 1 98 98 LEU CD2 C 13 23.0 0.02 . 1 . . . . 98 LEU CD2 . 16238 1 1157 . 1 1 98 98 LEU CG C 13 26.8 0.2 . 1 . . . . 98 LEU CG . 16238 1 1158 . 1 1 98 98 LEU N N 15 118.3 0.2 . 1 . . . . 98 LEU N . 16238 1 1159 . 1 1 99 99 ALA H H 1 7.94 0.02 . 1 . . . . 99 ALA H . 16238 1 1160 . 1 1 99 99 ALA HA H 1 4.25 0.02 . 1 . . . . 99 ALA HA . 16238 1 1161 . 1 1 99 99 ALA HB1 H 1 1.49 0.02 . 1 . . . . 99 ALA HB . 16238 1 1162 . 1 1 99 99 ALA HB2 H 1 1.49 0.02 . 1 . . . . 99 ALA HB . 16238 1 1163 . 1 1 99 99 ALA HB3 H 1 1.49 0.02 . 1 . . . . 99 ALA HB . 16238 1 1164 . 1 1 99 99 ALA C C 13 179.1 0.2 . 1 . . . . 99 ALA C . 16238 1 1165 . 1 1 99 99 ALA CA C 13 53.6 0.2 . 1 . . . . 99 ALA CA . 16238 1 1166 . 1 1 99 99 ALA CB C 13 18.6 0.2 . 1 . . . . 99 ALA CB . 16238 1 1167 . 1 1 99 99 ALA N N 15 122.1 0.2 . 1 . . . . 99 ALA N . 16238 1 1168 . 1 1 100 100 ARG H H 1 7.84 0.02 . 1 . . . . 100 ARG H . 16238 1 1169 . 1 1 100 100 ARG HA H 1 4.21 0.02 . 1 . . . . 100 ARG HA . 16238 1 1170 . 1 1 100 100 ARG HB2 H 1 1.84 0.02 . 2 . . . . 100 ARG HB2 . 16238 1 1171 . 1 1 100 100 ARG HB3 H 1 1.87 0.02 . 2 . . . . 100 ARG HB3 . 16238 1 1172 . 1 1 100 100 ARG HD2 H 1 3.19 0.02 . 2 . . . . 100 ARG HD2 . 16238 1 1173 . 1 1 100 100 ARG HD3 H 1 3.19 0.02 . 2 . . . . 100 ARG HD3 . 16238 1 1174 . 1 1 100 100 ARG HG2 H 1 1.64 0.02 . 2 . . . . 100 ARG HG2 . 16238 1 1175 . 1 1 100 100 ARG HG3 H 1 1.70 0.02 . 2 . . . . 100 ARG HG3 . 16238 1 1176 . 1 1 100 100 ARG C C 13 177.1 0.2 . 1 . . . . 100 ARG C . 16238 1 1177 . 1 1 100 100 ARG CA C 13 57.1 0.2 . 1 . . . . 100 ARG CA . 16238 1 1178 . 1 1 100 100 ARG CB C 13 30.3 0.2 . 1 . . . . 100 ARG CB . 16238 1 1179 . 1 1 100 100 ARG CD C 13 43.4 0.2 . 1 . . . . 100 ARG CD . 16238 1 1180 . 1 1 100 100 ARG CG C 13 27.4 0.2 . 1 . . . . 100 ARG CG . 16238 1 1181 . 1 1 100 100 ARG N N 15 117.9 0.2 . 1 . . . . 100 ARG N . 16238 1 1182 . 1 1 101 101 LEU H H 1 7.89 0.02 . 1 . . . . 101 LEU H . 16238 1 1183 . 1 1 101 101 LEU HA H 1 4.24 0.02 . 1 . . . . 101 LEU HA . 16238 1 1184 . 1 1 101 101 LEU HB2 H 1 1.57 0.02 . 2 . . . . 101 LEU HB2 . 16238 1 1185 . 1 1 101 101 LEU HB3 H 1 1.74 0.02 . 2 . . . . 101 LEU HB3 . 16238 1 1186 . 1 1 101 101 LEU HD11 H 1 0.89 0.02 . 1 . . . . 101 LEU HD1 . 16238 1 1187 . 1 1 101 101 LEU HD12 H 1 0.89 0.02 . 1 . . . . 101 LEU HD1 . 16238 1 1188 . 1 1 101 101 LEU HD13 H 1 0.89 0.02 . 1 . . . . 101 LEU HD1 . 16238 1 1189 . 1 1 101 101 LEU HD21 H 1 0.84 0.02 . 1 . . . . 101 LEU HD2 . 16238 1 1190 . 1 1 101 101 LEU HD22 H 1 0.84 0.02 . 1 . . . . 101 LEU HD2 . 16238 1 1191 . 1 1 101 101 LEU HD23 H 1 0.84 0.02 . 1 . . . . 101 LEU HD2 . 16238 1 1192 . 1 1 101 101 LEU HG H 1 1.69 0.02 . 1 . . . . 101 LEU HG . 16238 1 1193 . 1 1 101 101 LEU C C 13 177.8 0.2 . 1 . . . . 101 LEU C . 16238 1 1194 . 1 1 101 101 LEU CA C 13 55.7 0.2 . 1 . . . . 101 LEU CA . 16238 1 1195 . 1 1 101 101 LEU CB C 13 41.9 0.2 . 1 . . . . 101 LEU CB . 16238 1 1196 . 1 1 101 101 LEU CD1 C 13 25.0 0.02 . 1 . . . . 101 LEU CD1 . 16238 1 1197 . 1 1 101 101 LEU CD2 C 13 23.2 0.02 . 1 . . . . 101 LEU CD2 . 16238 1 1198 . 1 1 101 101 LEU CG C 13 26.8 0.2 . 1 . . . . 101 LEU CG . 16238 1 1199 . 1 1 101 101 LEU N N 15 120.8 0.2 . 1 . . . . 101 LEU N . 16238 1 1200 . 1 1 102 102 GLU H H 1 8.04 0.02 . 1 . . . . 102 GLU H . 16238 1 1201 . 1 1 102 102 GLU HA H 1 4.24 0.02 . 1 . . . . 102 GLU HA . 16238 1 1202 . 1 1 102 102 GLU HB2 H 1 1.94 0.02 . 2 . . . . 102 GLU HB2 . 16238 1 1203 . 1 1 102 102 GLU HB3 H 1 2.01 0.02 . 2 . . . . 102 GLU HB3 . 16238 1 1204 . 1 1 102 102 GLU HG2 H 1 2.20 0.02 . 2 . . . . 102 GLU HG2 . 16238 1 1205 . 1 1 102 102 GLU HG3 H 1 2.30 0.02 . 2 . . . . 102 GLU HG3 . 16238 1 1206 . 1 1 102 102 GLU C C 13 176.5 0.2 . 1 . . . . 102 GLU C . 16238 1 1207 . 1 1 102 102 GLU CA C 13 56.6 0.2 . 1 . . . . 102 GLU CA . 16238 1 1208 . 1 1 102 102 GLU CB C 13 30.0 0.2 . 1 . . . . 102 GLU CB . 16238 1 1209 . 1 1 102 102 GLU CG C 13 36.0 0.2 . 1 . . . . 102 GLU CG . 16238 1 1210 . 1 1 102 102 GLU N N 15 120.1 0.2 . 1 . . . . 102 GLU N . 16238 1 1211 . 1 1 103 103 HIS H H 1 8.20 0.02 . 1 . . . . 103 HIS H . 16238 1 1212 . 1 1 103 103 HIS HA H 1 4.54 0.02 . 1 . . . . 103 HIS HA . 16238 1 1213 . 1 1 103 103 HIS HB2 H 1 2.95 0.02 . 2 . . . . 103 HIS HB2 . 16238 1 1214 . 1 1 103 103 HIS HB3 H 1 3.01 0.02 . 2 . . . . 103 HIS HB3 . 16238 1 1215 . 1 1 103 103 HIS HD2 H 1 7.02 0.02 . 1 . . . . 103 HIS HD2 . 16238 1 1216 . 1 1 103 103 HIS CA C 13 56.1 0.2 . 1 . . . . 103 HIS CA . 16238 1 1217 . 1 1 103 103 HIS CB C 13 29.9 0.2 . 1 . . . . 103 HIS CB . 16238 1 1218 . 1 1 103 103 HIS N N 15 119.2 0.2 . 1 . . . . 103 HIS N . 16238 1 1219 . 1 1 107 107 HIS HA H 1 4.56 0.02 . 1 . . . . 107 HIS HA . 16238 1 1220 . 1 1 107 107 HIS HB2 H 1 3.06 0.02 . 2 . . . . 107 HIS HB2 . 16238 1 1221 . 1 1 107 107 HIS HB3 H 1 3.06 0.02 . 2 . . . . 107 HIS HB3 . 16238 1 1222 . 1 1 107 107 HIS C C 13 173.8 0.2 . 1 . . . . 107 HIS C . 16238 1 1223 . 1 1 107 107 HIS CA C 13 55.8 0.2 . 1 . . . . 107 HIS CA . 16238 1 1224 . 1 1 107 107 HIS CB C 13 29.9 0.2 . 1 . . . . 107 HIS CB . 16238 1 1225 . 1 1 108 108 HIS H H 1 8.15 0.02 . 1 . . . . 108 HIS H . 16238 1 1226 . 1 1 108 108 HIS HA H 1 4.38 0.02 . 1 . . . . 108 HIS HA . 16238 1 1227 . 1 1 108 108 HIS HB2 H 1 3.06 0.02 . 2 . . . . 108 HIS HB2 . 16238 1 1228 . 1 1 108 108 HIS HB3 H 1 3.14 0.02 . 2 . . . . 108 HIS HB3 . 16238 1 1229 . 1 1 108 108 HIS CA C 13 57.2 0.2 . 1 . . . . 108 HIS CA . 16238 1 1230 . 1 1 108 108 HIS CB C 13 29.9 0.2 . 1 . . . . 108 HIS CB . 16238 1 1231 . 1 1 108 108 HIS N N 15 125.3 0.2 . 1 . . . . 108 HIS N . 16238 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_Nnoesy_peak_list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Nnoesy_peak_list _Spectral_peak_list.Entry_ID 16238 _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 3 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 104.626 1.121 8.218 2204430 104.692 7.302 8.223 6279897 104.710 4.234 8.224 7866688 104.722 1.581 8.230 3107850 104.732 4.560 8.217 1272482 104.808 4.842 8.230 1804434 107.923 2.414 7.472 1804825 107.952 1.898 7.476 2077458 107.966 4.122 7.473 1600142 107.990 7.468 7.470 25006170 108.009 0.909 7.470 1977919 108.010 0.810 7.472 4039807 108.021 2.109 7.454 1611649 108.050 8.884 7.969 6942534 108.056 4.759 7.470 2044269 108.057 3.928 7.969 17942464 108.060 7.698 7.969 7245025 108.066 1.359 8.305 3031927 108.071 4.255 8.306 10383207 108.071 2.078 7.966 4355854 108.078 1.927 7.969 3709005 108.083 3.886 8.307 15991928 108.085 4.798 8.306 20361156 108.088 8.531 8.312 2285244 108.090 8.970 7.473 1180429 108.091 3.748 7.971 2938972 108.134 4.333 7.975 3012264 108.149 2.234 7.462 1777655 108.232 4.246 8.418 2352143 108.248 8.417 8.415 29071822 108.254 1.971 8.415 3747538 108.263 4.807 8.425 2334892 108.279 4.032 8.419 7486807 108.349 0.664 8.415 1176997 109.187 5.173 8.340 1380756 109.262 0.345 8.341 1690952 109.296 5.303 8.340 7271847 109.301 4.818 8.348 2130216 109.305 4.224 8.343 2032085 109.306 3.767 8.337 2360595 109.307 0.411 8.340 2990127 109.329 3.135 8.331 2607538 109.385 2.727 8.328 1281238 109.392 4.237 8.346 2216958 109.637 1.777 8.086 1977063 109.686 8.339 8.090 3948390 109.687 7.538 8.084 2974183 109.695 8.094 8.090 36671976 109.714 0.259 8.098 4164251 109.723 3.991 8.091 2110956 109.723 4.801 8.096 4249478 109.749 3.637 8.094 3211450 110.999 1.342 5.429 4621301 111.003 2.910 5.427 3190789 111.006 4.750 5.424 3284446 111.033 5.431 5.428 63540100 111.040 6.862 5.425 6714107 111.061 2.046 5.428 5486448 111.088 8.899 5.428 3470755 111.099 4.230 5.434 1305606 111.206 2.682 6.805 1012921 111.280 2.319 7.253 1974329 111.326 4.494 8.476 6953280 111.334 2.908 8.480 2379534 111.334 3.980 8.476 5773882 111.337 8.375 8.478 3933682 111.340 4.798 8.476 32608562 111.343 8.480 8.476 89124576 111.418 2.599 6.798 2304174 111.419 7.253 6.800 73375544 111.421 2.612 7.252 5907423 111.422 6.802 7.251 73736896 111.422 2.347 7.255 2761343 111.519 2.359 6.808 1604378 111.776 2.803 7.644 2641044 111.813 2.809 6.856 2209692 111.814 3.061 7.646 4321012 111.815 6.854 7.645 47431880 111.816 7.648 6.850 50588692 111.822 3.062 6.849 3006459 111.868 2.903 7.414 1944508 111.911 6.843 7.419 54307344 111.925 2.929 6.843 2388531 111.928 1.347 6.847 1226735 111.935 2.046 7.416 2426924 111.993 2.062 6.836 1930520 112.419 1.727 8.272 1730226 112.427 0.641 8.261 2502597 112.429 3.880 8.263 5722064 112.471 4.019 8.265 10440096 112.481 7.881 8.267 3180357 112.482 3.733 8.267 5304644 112.494 4.802 8.265 3929027 112.582 4.251 8.260 2009090 113.038 6.889 7.593 60721996 113.057 2.712 7.593 2260145 113.131 0.670 7.858 4947658 113.134 3.925 7.855 20190000 113.137 1.674 7.855 9723394 113.138 8.603 7.853 7690009 113.140 4.089 7.857 9816157 113.155 7.605 7.854 4814829 113.194 3.425 7.853 1639513 113.832 3.176 7.223 2023362 113.843 4.081 7.226 1194401 113.857 7.225 7.220 12990637 114.732 3.651 6.919 3612990 114.740 1.626 6.917 3084078 114.749 2.622 8.098 4794575 114.752 8.375 6.921 2457571 114.756 0.907 6.932 3348626 114.757 6.514 6.917 6858822 114.759 8.636 8.100 7436720 114.764 0.806 6.918 10320144 114.767 2.175 6.919 3958140 114.769 2.798 8.102 4939114 114.770 1.378 6.921 5308922 114.772 2.420 6.920 5953043 114.774 7.584 8.099 9534313 114.775 4.803 8.099 18745864 114.779 1.500 8.099 9423567 114.784 3.062 8.099 4019068 114.796 4.003 6.915 1737233 114.808 4.336 8.098 6193942 114.841 1.827 6.930 2083785 114.917 4.251 8.633 1938365 114.928 4.426 8.624 1797831 114.973 7.562 8.627 5167393 114.985 2.170 8.633 1312503 114.998 2.983 8.624 2049686 115.618 1.568 8.123 5686880 115.635 7.593 8.123 6681029 115.638 4.085 8.126 3189525 115.639 4.393 8.274 5082839 115.642 8.632 8.121 4788335 115.644 0.788 8.124 2404882 115.647 3.863 8.121 1605447 115.648 4.798 8.276 74408408 115.652 4.220 8.121 3771382 115.653 1.811 8.121 8792083 115.654 1.407 8.122 3831860 115.672 4.174 8.278 2100543 115.672 4.317 8.275 4823987 115.673 1.107 8.123 7387388 115.751 3.307 7.662 2551663 115.761 4.807 7.657 5755091 115.763 3.712 7.668 1586527 115.787 3.184 7.656 2674020 115.819 4.208 7.660 1854359 117.238 4.316 7.524 2064754 117.263 4.001 7.525 3613849 117.267 7.837 7.525 13011390 117.271 2.065 7.525 7144808 117.273 2.462 7.524 8141980 117.277 2.259 7.524 10153806 117.289 4.139 7.524 5354717 117.300 4.056 7.548 1479160 117.301 1.558 7.522 8632233 117.833 1.677 7.591 1678295 117.879 4.237 7.836 3393756 117.879 7.833 7.833 25135440 117.895 1.854 7.834 3481672 117.905 4.089 7.588 4242348 117.907 2.196 7.586 8446559 117.908 8.126 7.586 9130357 117.913 2.330 7.586 17682744 117.913 8.671 7.590 2196806 117.915 3.166 8.498 2933149 117.922 2.612 7.584 8377679 117.925 1.815 7.591 5202312 117.925 4.804 7.836 2148495 117.926 4.339 8.498 2501505 117.931 4.007 7.585 10069560 117.934 1.504 7.832 1527700 117.937 4.216 7.589 2479450 117.940 1.086 7.588 2731074 117.962 1.706 7.844 1778603 117.979 1.380 8.494 2966859 118.018 1.588 7.596 2281489 118.019 3.312 8.482 1802650 118.068 1.389 7.917 2008342 118.131 4.801 8.516 2037172 118.138 4.083 7.918 5166015 118.151 4.003 7.916 1758484 118.155 7.920 7.918 58794984 118.161 1.736 7.919 13275693 118.161 1.528 7.918 5147970 118.162 3.131 7.924 1599812 118.162 7.572 7.919 4281074 118.165 2.246 7.918 3875014 118.165 0.866 7.920 3765073 118.170 6.514 7.915 3625487 118.249 8.326 8.884 4061876 118.255 5.305 8.387 1685150 118.282 2.021 8.884 6872649 118.284 1.383 8.887 1781788 118.286 0.831 8.855 1011636 118.286 3.320 8.463 1159443 118.288 2.067 8.884 9112668 118.296 8.886 8.883 64700872 118.302 4.137 7.364 2488683 118.303 0.368 8.887 1818612 118.308 1.405 7.373 10898620 118.310 1.201 8.880 3212408 118.310 1.930 8.885 7796036 118.310 7.972 8.884 5350064 118.314 7.497 7.376 5143816 118.315 7.927 7.376 3826107 118.317 3.749 8.882 5402634 118.320 2.493 8.888 6884601 118.323 0.594 7.367 1407443 118.325 0.362 7.373 1800182 118.330 4.085 7.375 4602588 118.330 7.369 7.371 57027632 118.333 0.491 8.371 1908828 118.338 3.138 8.409 1576012 118.339 1.590 7.374 6183974 118.355 2.773 8.410 1738734 118.363 0.767 8.888 1452929 118.369 4.207 8.897 2459597 118.373 1.167 8.414 1794878 118.425 3.638 7.375 931748 118.453 4.513 8.364 5103792 118.455 8.415 8.857 1147782 118.484 4.338 8.364 9012422 118.492 0.428 8.906 1229558 118.498 4.273 8.877 1149938 118.498 4.798 8.364 33770076 118.507 1.379 8.371 3370884 118.519 2.912 8.365 5141684 118.541 8.482 8.366 5432819 118.747 7.979 8.474 3384164 118.793 0.603 8.302 2424464 118.801 0.369 8.312 1388218 118.806 2.871 8.469 2834342 118.809 5.389 8.299 4055325 118.812 3.921 8.446 1110534 118.814 4.084 8.476 1958520 118.815 1.898 8.300 5941358 118.815 6.470 8.296 6328931 118.820 8.188 8.475 3277866 118.821 3.633 8.474 2565052 118.822 2.182 8.474 6542217 118.828 1.937 8.470 3011037 118.828 4.596 8.298 28802470 118.833 2.086 8.299 3185269 118.833 2.264 8.296 4011672 118.834 8.478 8.472 40447776 118.835 2.706 8.470 4389867 118.857 1.522 8.639 14913716 118.868 8.101 8.636 5967820 118.869 5.238 7.306 1692196 118.869 2.595 8.636 13019983 118.869 2.664 8.636 9281226 118.884 4.365 8.637 33247656 118.888 1.499 8.637 15208929 118.891 4.800 8.636 8117114 118.915 3.143 8.488 819197 118.921 4.798 8.300 39154904 118.922 2.878 8.300 4638014 118.943 3.977 8.301 6357154 118.945 4.472 8.174 1166617 118.946 2.780 8.649 1784220 118.955 0.960 8.630 1782723 118.999 4.275 8.198 1200967 119.040 5.119 8.951 2052833 119.061 0.350 7.307 3527584 119.063 5.185 7.309 3325230 119.066 4.559 7.304 3589592 119.070 1.941 7.303 3558566 119.082 2.989 8.205 1255095 119.096 1.568 7.305 7193748 119.097 7.303 7.305 86552784 119.106 1.831 8.655 1760911 119.106 6.822 8.961 2631018 119.107 4.235 7.305 4052250 119.111 8.222 7.305 11288602 119.114 2.731 8.972 2095730 119.117 8.957 8.674 1492810 119.119 1.871 8.967 1713474 119.123 2.136 7.307 2306755 119.126 0.647 8.970 1912064 119.127 4.807 7.305 2181028 119.128 4.246 8.200 1917455 119.130 7.153 8.685 2025559 119.133 1.553 8.964 1511720 119.137 1.158 8.675 8212314 119.144 9.567 8.954 1631150 119.147 5.628 8.671 9828286 119.147 4.637 8.681 1812398 119.157 8.965 8.963 23485220 119.158 1.669 7.313 2203286 119.159 1.154 7.304 2062906 119.165 5.235 8.669 2767336 119.170 2.267 8.195 1066326 119.174 8.474 8.675 3788624 119.181 5.235 8.966 6254360 119.181 1.119 8.973 1666816 119.202 0.917 8.351 1816791 119.249 4.553 8.213 1204887 119.256 3.737 8.345 1310605 119.261 8.088 8.345 5905000 119.262 2.123 7.571 1213353 119.264 9.311 8.972 1668539 119.269 7.207 7.586 1684581 119.274 4.000 8.344 7482774 119.274 7.999 8.340 6064071 119.281 1.646 8.344 8594500 119.286 1.714 8.344 8824732 119.288 1.447 8.344 4676668 119.291 1.814 8.344 9523012 119.291 3.893 7.590 2232398 119.303 4.555 7.587 3281432 119.308 4.798 8.394 27264800 119.322 7.468 7.581 3681304 119.335 2.712 8.393 4954558 119.335 2.094 8.967 1272800 119.337 4.235 8.393 15049726 119.342 2.188 7.586 1403401 119.357 4.645 8.391 7323589 119.363 1.895 7.590 2196524 119.363 1.793 7.588 1908680 119.368 4.137 7.592 2107404 119.397 1.708 8.411 2974378 119.406 2.673 7.587 1915400 119.425 2.189 8.413 3941454 119.427 1.912 8.414 7163563 119.440 4.145 8.413 3638016 119.645 3.157 7.887 2853517 119.656 7.719 7.498 1366450 119.676 4.801 7.516 2016548 119.677 8.255 7.886 2607034 119.709 4.014 7.531 2021857 119.712 2.636 7.888 6030277 119.713 3.732 7.886 5338326 119.718 3.883 7.889 7164048 119.719 7.382 7.514 4949168 119.730 4.542 7.885 2538567 119.735 7.138 7.884 4119667 119.740 1.396 7.518 11630691 119.740 1.396 7.518 11630691 119.745 7.523 7.519 46372488 119.755 4.135 7.518 4475060 119.764 1.437 6.512 1597460 119.770 1.822 6.520 1674128 119.796 2.674 8.681 1689206 119.808 1.863 7.524 2350008 119.810 4.800 8.690 4569975 119.815 1.686 7.525 1677118 119.841 4.438 8.682 1867723 119.845 4.234 8.693 2065086 119.845 4.050 8.689 1769432 119.869 8.594 6.529 1340663 119.896 2.668 6.506 1740167 119.903 2.986 8.012 1529157 119.920 6.912 6.514 6369847 119.923 3.678 6.528 1700270 119.928 1.367 6.514 2827953 119.930 3.144 6.517 2707388 119.936 2.411 6.515 2971264 119.936 1.671 6.514 6276030 119.941 2.299 8.021 1582619 119.941 4.151 6.512 2325144 119.944 6.513 6.514 43720436 119.945 2.234 6.515 7330120 119.946 7.917 6.516 5002351 119.951 1.969 8.035 2047548 120.008 0.090 8.597 1702330 120.009 1.687 8.038 1168024 120.025 1.995 7.806 6278822 120.039 3.942 8.598 2365148 120.039 4.002 7.810 9301764 120.041 0.748 8.592 1884945 120.041 3.916 7.811 2359308 120.042 1.554 7.809 23066904 120.054 4.233 8.037 2423483 120.059 8.546 7.810 5716992 120.066 7.529 7.809 7954848 120.068 0.600 8.593 2570939 120.076 1.602 8.593 6181266 120.080 3.429 8.585 2674736 120.092 7.852 8.594 10383154 120.097 1.360 7.816 3288074 120.098 1.671 8.594 7847927 120.098 6.845 8.174 1992866 120.113 2.697 8.587 1306372 120.118 7.568 8.176 6450244 120.118 8.480 8.179 4523014 120.128 0.943 8.175 5367978 120.142 2.863 8.179 7530986 120.142 3.719 8.177 2273757 120.143 0.665 8.595 2500688 120.144 2.675 8.177 6560378 120.156 4.804 8.253 7406464 120.157 1.804 8.179 5855120 120.162 3.486 8.595 3126572 120.165 3.148 8.187 2425292 120.172 2.034 6.873 1484631 120.172 2.034 6.873 1484631 120.184 0.758 7.832 2006498 120.187 2.195 7.653 2564180 120.188 3.498 8.262 1434609 120.192 3.925 8.177 4128409 120.196 2.338 7.653 4624521 120.200 7.655 7.654 69127888 120.201 8.114 7.649 1663750 120.202 1.069 7.656 10640252 120.204 2.462 7.653 10276477 120.206 4.009 7.648 2324976 120.220 3.769 8.254 2429729 120.225 3.063 8.257 3645867 120.230 3.751 7.655 4719057 120.233 0.958 7.659 2977384 120.233 2.469 7.841 1346870 120.234 2.136 8.247 2789661 120.240 6.668 8.692 1534688 120.241 3.879 8.980 3128227 120.242 8.701 7.653 7615029 120.253 8.594 7.853 5923091 120.256 4.177 8.978 2797047 120.260 7.522 7.851 7872275 120.271 4.778 8.981 13062584 120.271 2.699 7.850 3752534 120.276 0.804 8.979 2225628 120.276 8.985 8.981 28833496 120.280 1.679 7.849 2079022 120.281 7.199 8.706 1226740 120.285 7.132 7.855 5711424 120.288 2.394 8.978 5124596 120.290 3.772 8.978 3996065 120.298 2.055 7.863 2204702 120.299 1.854 8.249 2765218 120.307 2.266 7.850 3635696 120.309 4.150 7.844 1795530 120.310 3.497 7.850 7273829 120.311 4.748 6.863 4135324 120.312 0.900 8.980 2228486 120.314 8.374 8.983 2256820 120.315 5.434 6.865 6167670 120.320 7.449 8.979 1552014 120.323 3.904 7.856 3623236 120.332 1.346 6.859 1676509 120.337 2.940 6.866 2129102 120.341 7.064 8.713 1486262 120.342 2.458 8.704 8074633 120.343 6.865 6.865 80364800 120.345 3.250 8.710 3022424 120.345 7.653 8.703 11224589 120.345 0.847 7.570 4081314 120.350 0.784 6.863 14049532 120.351 2.266 6.865 13806800 120.353 4.061 7.575 2024515 120.354 1.165 7.570 3879696 120.357 2.276 8.696 1914758 120.358 3.763 8.700 1738328 120.358 1.070 8.707 3266191 120.362 1.791 7.572 12605042 120.363 4.238 6.863 1988037 120.363 7.168 6.861 3177092 120.364 3.735 6.866 5769114 120.365 7.925 7.572 5290288 120.373 0.379 6.863 3864060 120.374 1.716 7.571 10605107 120.375 2.914 8.704 3369780 120.377 3.718 7.574 5730274 120.386 8.172 7.573 4860974 120.399 1.539 7.570 4148636 120.402 4.230 8.705 3417670 120.406 1.389 7.570 1977760 120.407 0.955 8.704 3751266 120.413 5.045 8.706 3665570 120.420 0.925 7.568 6831170 120.426 7.375 6.863 2120626 120.465 3.978 7.857 2046479 120.500 5.302 7.547 1858126 120.502 2.949 7.556 1274343 120.518 1.877 8.183 8220101 120.520 4.314 8.541 2116132 120.525 3.887 8.182 14510164 120.526 4.251 7.544 1346553 120.530 2.179 8.184 3844814 120.531 1.985 8.183 4368496 120.532 0.493 8.541 3423484 120.534 3.877 8.704 1159160 120.544 8.633 7.557 5072715 120.545 1.554 8.541 2981521 120.545 1.985 7.552 5799423 120.565 3.990 8.545 3510320 120.577 7.695 8.538 5094839 120.582 2.099 7.887 1574202 120.586 1.375 8.540 6451358 120.588 4.270 8.189 5298016 120.599 7.812 8.541 5052988 120.599 0.951 8.552 1461191 120.601 1.987 8.546 8353048 120.606 3.757 8.551 2738493 120.606 0.683 7.567 1692037 120.620 4.786 7.867 1636452 120.623 0.761 8.539 2588125 120.627 3.134 8.420 1578014 120.630 2.112 8.421 3668795 120.657 1.370 8.420 20864482 120.679 4.185 8.417 6760596 120.683 1.861 8.420 6413372 120.693 1.588 7.882 2700180 120.715 3.774 8.420 2599154 120.750 4.221 7.883 4752128 120.754 3.053 8.429 2305374 120.775 2.184 7.984 4629322 120.784 1.860 7.904 2309644 120.785 3.999 7.984 5294716 120.808 1.689 7.982 9686628 120.819 1.858 7.988 8568672 120.825 0.839 7.889 1577043 120.826 3.721 7.991 2099884 120.833 4.224 7.890 4815514 120.833 8.481 7.990 4650730 120.839 1.706 7.892 6117624 120.853 0.849 7.986 3920262 120.866 8.338 7.985 4861685 120.867 4.802 7.889 1737076 121.197 2.255 8.477 2575520 121.238 4.578 8.476 1733724 121.242 1.475 7.610 7287191 121.249 3.917 7.608 9312720 121.250 1.771 7.608 9261095 121.250 8.635 7.609 8098140 121.252 1.690 7.608 6352337 121.254 7.611 7.607 89221216 121.259 7.853 7.609 7598142 121.264 4.092 7.607 8773696 121.281 0.670 7.613 3483998 121.287 5.392 8.474 6702598 121.319 8.676 8.476 3085078 121.324 3.173 8.330 1949876 121.325 1.803 8.476 6074350 121.338 4.444 8.466 2381187 121.401 3.325 8.319 1841267 121.405 0.374 8.330 1662394 121.428 0.424 8.338 1471799 121.431 2.189 8.331 3463255 121.443 4.642 8.334 13263244 121.448 8.880 8.334 2533308 121.449 1.912 8.334 10297378 121.459 4.798 8.345 18028890 121.466 1.464 8.339 2833412 121.469 4.254 8.331 6900116 121.477 3.769 8.346 2351092 121.484 1.193 8.343 2033597 121.539 0.938 8.384 1606818 121.567 0.968 8.247 12800716 121.593 2.193 8.245 4004386 121.615 1.795 8.245 2635224 121.640 2.062 8.248 9623924 121.665 3.767 8.373 2694642 121.681 4.263 8.248 28878782 121.681 4.263 8.248 28878782 121.766 0.810 8.372 7517506 121.781 8.984 8.369 2993078 121.792 1.384 8.371 21020270 121.798 3.999 8.373 8340676 121.807 4.800 8.248 3590921 121.816 2.398 8.369 4151052 121.835 6.925 8.373 3340455 121.850 4.201 8.405 2542931 121.860 2.027 8.253 10434063 121.885 4.083 8.252 4126488 121.892 6.842 8.648 1821180 121.904 2.901 8.405 4051706 121.918 4.798 8.405 71388600 121.920 1.469 8.637 4049413 121.921 4.315 8.406 9112361 121.929 1.103 8.638 13543402 121.935 4.556 8.400 4546400 121.941 3.859 8.637 4904795 121.945 7.609 8.638 8080236 121.946 7.056 8.639 3698528 121.947 3.442 8.639 1940235 121.958 8.126 8.636 5270815 121.958 1.771 8.637 4149860 121.959 4.096 8.637 2557810 121.975 0.672 8.632 2195813 122.011 0.642 8.176 2730773 122.018 1.979 8.181 1834570 122.028 1.734 8.180 6787530 122.030 1.038 8.174 4213488 122.032 4.260 8.174 12199083 122.066 1.304 8.176 2541825 122.080 4.021 8.174 3016868 122.103 4.247 7.934 2279160 122.104 4.072 7.937 2606147 122.108 7.371 7.929 2087075 122.132 0.558 8.442 1522853 122.136 3.659 8.451 1612450 122.140 4.577 8.451 8798212 122.155 1.504 7.944 4402084 122.212 1.862 8.461 1513261 122.338 0.495 7.697 1228990 122.355 1.854 7.697 7141596 122.355 1.933 7.697 8924826 122.355 1.534 7.700 3381166 122.362 1.620 7.701 5362480 122.365 7.970 7.695 6829590 122.369 5.065 8.476 1543482 122.374 8.542 7.699 7795327 122.382 3.755 7.700 3053084 122.384 4.315 7.699 6971093 122.401 3.931 7.701 6021269 122.461 1.349 7.698 1780054 122.545 1.334 8.395 1992470 122.565 1.239 8.408 2567944 122.570 4.647 8.405 2625981 122.577 5.288 8.401 1982934 122.589 1.496 8.405 1862330 122.590 0.413 8.397 2130789 122.595 5.190 8.401 9389764 122.599 1.942 8.402 2810739 122.626 8.520 8.401 2829076 122.634 1.703 8.401 1609699 122.760 2.050 8.289 6676074 122.771 0.890 8.289 9755903 122.774 4.086 8.288 5590454 122.775 4.538 8.289 17613956 122.775 4.798 8.289 23196722 122.803 2.901 8.285 3323478 123.236 4.040 7.565 2504388 123.309 1.875 7.571 5003410 123.313 8.630 7.582 1190288 123.362 8.242 7.581 2674076 123.387 0.989 7.584 2700828 123.402 4.348 7.581 1319226 123.409 4.807 7.581 7730334 123.415 7.581 7.580 149892544 123.427 4.231 7.582 7097311 123.433 1.569 7.582 20977134 123.443 8.104 7.581 8845280 123.474 4.360 8.555 1224307 123.477 2.990 9.336 1731001 123.479 7.129 9.318 1672538 123.483 1.182 9.343 1948706 123.490 0.512 8.535 1624657 123.529 4.646 9.330 8531398 123.532 9.335 9.330 22576660 123.538 1.581 9.317 1847750 123.543 3.635 8.542 1044740 123.547 5.421 8.545 949792 123.559 5.447 9.330 1540265 123.574 1.484 9.344 1657920 123.590 8.404 8.544 3573163 123.591 5.074 8.546 7864099 123.600 1.161 8.543 4229274 123.613 3.532 8.541 1487608 123.622 9.204 8.580 1358998 123.639 1.345 8.552 1959583 123.758 0.881 8.448 3671622 123.780 4.082 8.452 18869034 123.781 2.862 8.452 4884634 123.782 4.797 8.452 18647628 123.784 4.508 8.451 3606649 123.785 0.705 8.554 1476526 123.809 2.028 8.451 2322740 124.111 1.905 8.557 5826470 124.114 2.015 8.560 3222708 124.125 4.501 8.559 10210559 124.131 4.799 8.559 19321596 124.136 2.231 8.559 2092346 124.155 4.288 8.559 2361154 124.171 2.863 8.560 2481176 124.252 2.226 8.509 4298594 124.285 4.238 8.510 5703277 124.286 0.885 8.508 4103711 124.286 1.898 8.508 9009273 124.304 4.798 8.509 11813832 124.306 2.018 8.508 4817060 124.310 4.088 8.508 20486228 124.451 1.343 9.334 2066664 124.480 4.715 9.345 5668416 124.492 0.646 9.282 2117926 124.501 9.347 9.347 18821032 124.505 5.136 9.269 4719736 124.518 1.826 9.346 3496429 124.524 1.842 9.267 6453921 124.529 2.105 9.266 5610812 124.530 5.034 9.268 19486812 124.531 1.937 9.268 5428012 124.535 0.393 9.350 1623950 124.543 7.375 9.344 1169143 124.549 2.213 9.272 2372222 124.551 2.071 9.337 1539283 124.568 1.315 9.268 2074181 124.578 2.944 9.269 2269724 124.613 5.226 9.136 3104748 124.620 1.004 9.139 5427160 124.622 1.859 9.138 6150465 124.624 5.140 9.138 12897818 124.627 0.581 9.133 1453493 124.647 4.581 9.136 3033649 124.662 2.109 9.144 3107576 124.692 2.219 9.134 2205284 124.757 3.333 9.183 1987681 124.759 5.086 9.181 1313818 124.772 5.438 9.186 9766539 124.787 1.162 9.192 5459143 124.829 5.625 9.182 2165638 124.849 8.953 8.946 6147659 125.289 4.385 8.154 1997375 125.309 3.061 8.147 2721818 125.309 4.567 8.150 6554770 125.411 4.798 8.403 11125320 125.421 4.278 8.403 7390837 125.421 4.350 8.403 2975813 125.435 1.373 8.401 5715670 125.550 1.998 8.412 1756758 125.930 2.196 8.785 3185368 125.981 1.966 8.780 8448286 125.985 4.443 8.778 18558142 126.012 0.950 8.781 6919008 126.012 4.598 8.775 3174977 126.027 1.071 8.776 2203401 126.032 1.836 8.776 2790870 126.358 9.349 7.365 1280151 126.487 0.787 7.366 2086129 126.503 3.732 7.364 13567373 126.507 7.366 7.365 49254956 126.516 2.270 7.362 3660846 126.517 0.377 7.365 8706196 126.518 1.897 7.361 3505696 126.521 1.779 7.364 6574634 126.529 6.871 7.359 2162287 126.556 2.074 7.368 1756355 126.557 4.596 7.364 2618698 126.772 4.496 8.527 5465458 126.783 4.798 8.524 22791096 126.790 1.356 8.523 5901823 126.808 8.318 8.520 2713874 126.828 4.258 8.528 2663944 126.835 2.887 8.526 2108606 127.763 5.319 8.844 1730544 127.835 1.328 8.839 1336542 127.859 1.194 8.842 1425630 127.877 8.843 8.838 21478110 127.887 2.664 8.840 2868346 127.890 4.799 8.838 8009452 127.907 7.254 8.837 2580509 127.961 4.555 8.856 1223513 128.058 1.702 8.037 1934751 128.072 1.872 8.034 1149516 128.107 3.722 8.037 1770452 128.107 4.136 8.035 316032 128.770 1.570 8.625 7723504 128.787 1.503 8.626 21223620 128.789 4.364 8.626 36287960 128.793 8.628 8.626 110456160 128.795 4.262 8.627 2101870 128.797 2.076 8.626 5054842 128.804 0.977 8.625 6205495 130.231 2.767 9.578 1028119 130.394 1.979 9.573 1816254 130.404 1.365 9.562 845248 130.475 0.921 9.570 1852878 130.475 5.304 9.578 8306752 130.489 9.575 9.578 22769408 130.498 0.645 9.577 2829326 130.504 4.794 9.574 1974264 130.522 1.842 9.579 3093443 130.557 7.226 9.565 1047850 130.573 8.936 9.581 1760600 130.598 1.305 9.573 1448189 130.814 4.806 8.890 2003347 130.920 3.259 8.898 754467 130.948 7.165 8.900 3658132 130.954 1.333 8.900 15640088 130.957 5.040 8.899 16253220 130.960 8.906 8.900 66098312 130.972 4.234 8.899 6582391 130.979 5.438 8.898 4084783 131.006 2.915 8.896 892641 132.356 9.356 8.387 1609165 132.366 5.628 8.392 1846439 132.393 1.167 8.393 11012848 132.403 4.603 8.392 14481698 132.408 0.958 8.397 2535399 132.409 1.066 8.397 5710426 132.413 4.401 8.391 4105648 132.487 1.944 8.396 1788072 ; 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 N 1 2500.0 . . . 16238 1 2 H 1 H 2 8620.7 . . . 16238 1 3 H 1 HN 1 12755.1 . . . 16238 1 stop_ save_ save_Cnoesy_peak_list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Cnoesy_peak_list _Spectral_peak_list.Entry_ID 16238 _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 4 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY' _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 12.155 1.983 0.738 6587002 12.160 3.974 0.775 4765032 12.164 1.456 0.746 14375027 12.208 1.190 0.743 15129758 12.698 1.028 0.658 15892802 12.699 1.298 0.673 8621307 12.807 1.141 0.824 34621004 12.815 1.688 0.824 26677768 12.815 1.796 0.819 15120440 12.823 2.160 0.832 3574639 12.840 3.680 0.810 9973490 12.870 1.375 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22370500 17.467 3.973 0.800 27616748 17.469 1.681 0.801 13272223 17.474 1.463 0.802 25078882 17.474 1.184 0.801 40839756 17.477 4.019 0.637 14153912 17.491 8.937 0.637 3521722 17.526 8.240 0.634 6461688 17.532 1.026 0.639 17025396 17.699 8.398 1.373 53711684 17.718 4.180 1.373 72266808 17.788 7.517 1.549 21838906 17.788 3.994 1.549 76165896 17.789 7.801 1.549 61549096 17.811 0.611 1.550 12832607 18.043 2.929 1.330 5667662 18.085 3.241 0.939 3288656 18.091 2.204 0.929 4990558 18.130 8.181 0.931 6126174 18.132 6.861 1.326 5594848 18.139 4.227 1.329 74879480 18.142 3.714 0.931 25457050 18.160 8.894 1.328 43320464 18.170 3.946 0.930 8368544 18.177 5.429 1.328 16031886 18.178 7.579 0.936 6855836 18.188 2.806 0.931 15818152 18.189 1.797 0.931 49584256 18.225 5.041 1.327 8603342 18.256 1.394 0.934 40582408 18.282 4.120 1.388 76698184 18.286 7.511 1.388 48161468 18.516 3.991 1.375 78439176 18.521 0.823 1.375 58761104 18.536 6.928 1.370 15900814 18.557 8.359 1.374 52002552 18.557 8.359 1.374 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10324303 41.750 1.684 1.849 96687248 41.756 7.981 1.675 12534643 41.758 7.360 1.586 13353593 41.759 0.331 1.392 7982292 41.764 7.981 1.850 15587712 41.770 8.331 1.853 7717252 41.775 1.841 1.675 65893648 41.786 4.071 1.579 12271061 41.795 0.585 1.585 8873685 41.803 0.333 1.590 12186223 41.819 0.845 1.679 25753716 41.825 5.386 2.259 10116360 41.834 4.071 1.390 10049369 41.839 3.717 1.668 6696892 41.851 1.787 2.263 23410496 41.864 1.468 2.795 30202342 41.870 1.053 2.792 8974000 41.871 5.383 1.782 8248092 41.875 0.936 2.793 20914158 41.878 2.261 1.785 26124150 41.884 0.661 2.794 6111922 41.891 8.361 2.740 6460576 41.891 8.361 2.740 6460576 41.899 8.458 2.261 4990258 41.908 8.356 3.123 8624486 41.910 7.878 1.737 10997097 41.915 6.464 2.265 9641604 41.929 5.287 3.125 9130619 41.930 5.289 2.743 5780450 41.935 7.205 3.124 10563322 41.937 8.486 1.781 5306706 41.941 2.744 3.127 52454988 41.947 7.190 2.743 8457540 41.948 3.124 2.738 46677356 41.960 0.865 1.568 26027882 41.978 7.896 1.570 9327357 42.000 4.239 1.567 13408574 42.017 4.796 2.912 86643040 42.022 4.225 1.736 8056594 42.117 3.749 1.190 6354633 42.140 0.970 2.924 30991204 42.141 6.647 2.921 8623259 42.148 1.637 2.922 117888112 42.148 1.637 2.922 117888112 42.152 0.668 2.915 36177096 42.154 1.477 1.762 49274144 42.155 2.089 2.927 21246496 42.164 4.090 1.758 13750775 42.167 1.472 1.197 11047814 42.169 7.046 1.475 4098568 42.173 0.775 1.188 7854452 42.174 4.091 1.469 11780799 42.174 6.845 1.461 3002113 42.175 1.192 1.921 24654634 42.175 3.749 1.926 9601533 42.177 1.196 1.194 28741920 42.178 3.907 1.760 8756009 42.179 1.277 2.928 43972340 42.181 8.897 1.924 5030609 42.182 1.924 1.192 23695216 42.185 3.893 1.472 8042094 42.185 0.665 1.763 18379270 42.187 1.752 1.470 49679936 42.189 0.371 1.924 10951056 42.200 7.602 1.764 14726376 42.200 7.602 1.764 14726376 42.202 0.660 1.470 14209805 42.203 8.623 1.769 5900644 42.203 8.319 1.918 5672648 42.204 8.257 2.932 4162322 42.208 0.372 1.190 10812635 42.210 8.621 1.468 5924456 42.211 0.780 1.920 5370974 42.211 6.643 2.968 8316240 42.237 7.606 1.470 10480488 42.245 7.037 1.757 4898032 42.265 1.480 1.926 10244357 42.274 4.233 2.962 5182129 42.523 7.054 2.705 5830692 42.585 6.836 2.058 7125672 42.586 2.060 2.717 21895016 42.600 2.715 2.060 22875198 42.615 1.848 2.065 6333657 42.621 0.378 2.053 6193998 42.626 7.053 2.047 4397564 42.629 4.706 2.062 5408810 42.656 8.962 2.717 4119552 42.658 1.846 2.717 6887131 42.659 8.953 2.065 4009154 42.665 0.364 2.701 3809590 42.669 6.811 2.713 7476135 42.682 5.024 2.957 12567113 42.703 4.733 2.716 3897216 42.712 0.868 2.955 11228880 42.712 1.340 2.961 25410164 42.712 1.594 2.955 17274486 42.712 1.836 2.961 10845625 42.723 1.078 2.709 2475982 42.811 9.281 2.961 3444473 43.033 8.421 3.177 4521128 43.042 7.227 3.174 7809418 43.067 8.031 3.168 5764696 43.174 1.682 3.175 113256312 43.261 4.167 3.177 18934440 43.317 0.841 3.177 8810350 43.429 1.860 3.188 58833160 45.094 8.216 3.880 36641108 45.107 8.275 3.879 38551708 45.127 7.883 3.878 12607212 45.145 7.883 3.723 12289914 45.146 8.252 3.727 12017279 45.153 3.731 3.727 162982320 45.341 8.460 3.954 6992033 45.361 1.490 4.200 2708587 45.369 8.676 4.052 8617185 45.415 8.672 4.232 8272742 45.429 4.229 4.045 61610484 45.435 4.052 4.236 59692416 45.437 1.503 3.746 4043066 45.451 8.414 4.048 12119019 45.465 8.412 4.242 9414124 45.475 0.408 3.736 4986071 45.501 8.310 3.750 6059194 45.588 8.354 4.202 7652847 45.603 3.754 4.203 34824944 45.621 4.204 3.756 30725250 45.640 0.408 4.194 4570390 45.671 0.485 1.152 16615666 45.674 0.491 1.338 13103739 45.676 1.330 1.334 34183748 45.679 1.157 1.334 38199228 45.679 1.153 1.149 50261860 45.686 1.330 1.148 24283730 45.719 8.562 1.335 3575548 45.720 8.414 1.334 4662934 45.726 4.565 1.154 4946593 45.751 8.376 1.155 4662672 46.867 7.707 3.919 9201889 46.869 1.549 3.913 9797441 46.956 7.981 3.912 20489224 47.289 4.630 1.224 5610085 47.307 1.223 1.474 42571852 47.307 0.699 1.224 11039108 47.315 0.374 1.477 10556372 47.318 1.224 1.224 47200592 47.319 1.476 1.473 59077324 47.324 4.635 1.468 11346264 47.326 1.476 1.224 34823520 47.327 0.368 1.231 6980494 47.340 0.769 1.474 14199908 47.340 0.769 1.474 14199908 47.399 8.385 1.227 3998848 49.942 2.190 3.468 6957375 49.951 1.163 3.751 10596031 49.954 2.180 3.753 6639775 49.962 4.391 3.751 34325316 49.968 4.392 3.467 25674676 49.969 3.468 3.751 64392096 49.971 3.751 3.467 70268688 49.972 1.166 3.466 17056426 49.973 2.020 3.469 20822294 49.978 1.981 3.753 20976736 49.982 1.847 5.026 23664960 49.989 1.798 3.467 10249340 49.996 9.259 5.025 32260520 50.005 5.023 5.024 121036536 50.007 1.807 3.751 7483279 50.017 2.956 5.023 10266280 50.276 8.662 5.621 17672366 50.281 7.163 5.633 3893224 50.288 1.156 5.622 21675710 50.300 4.591 5.619 11514087 50.322 8.400 5.628 3573519 51.040 8.411 4.385 7309802 51.072 3.475 4.395 21145068 51.080 3.753 4.391 29255630 51.081 1.167 4.393 26152962 51.104 1.993 4.391 8041196 51.696 8.626 4.369 60495880 51.697 1.490 4.368 59229264 52.597 2.166 4.260 12325393 52.652 2.986 4.262 11785982 52.696 1.155 4.567 8280343 52.712 0.483 4.576 9530834 52.721 8.375 4.582 8766368 52.754 8.541 4.576 2457668 52.801 1.355 4.254 40304768 53.244 8.214 4.222 48736552 53.258 1.562 4.223 53450756 53.268 2.759 4.638 20254280 53.269 7.574 4.222 15526264 53.285 8.339 4.634 21588788 53.285 8.339 4.634 21588788 53.549 1.509 4.243 40659164 53.758 7.900 4.255 15462717 53.858 1.887 4.587 20773996 53.865 7.364 4.591 7742047 53.923 1.784 4.590 13252463 53.926 2.076 4.586 13949354 53.950 2.268 4.592 8936398 53.955 8.290 4.588 38136164 53.985 1.850 4.128 11148380 54.006 1.391 4.127 56043192 54.008 1.662 5.179 12182712 54.008 0.335 5.181 6182663 54.029 8.375 5.179 31162268 54.029 0.406 5.178 11395520 54.029 5.305 5.185 28621154 54.040 1.928 5.179 18709628 54.044 7.505 4.125 13077352 54.051 1.497 4.640 16014247 54.064 0.724 4.639 7673384 54.067 9.316 4.637 24411156 54.068 7.295 5.185 7598397 54.084 0.966 4.641 9374013 54.084 0.966 4.641 9374013 54.104 1.222 4.638 10947915 54.302 1.151 5.430 7095400 54.327 3.318 5.434 11214167 54.335 0.676 5.431 5416534 54.365 9.198 5.431 24729204 54.370 5.076 5.434 12000657 54.371 5.433 5.433 80066624 54.397 3.001 5.432 6444301 54.522 8.469 4.439 6174876 54.549 2.206 4.441 10908693 54.591 1.960 4.438 12534567 54.596 0.948 4.437 7914477 54.601 8.771 4.436 47765860 54.606 1.823 4.436 25823652 54.833 9.335 5.387 3292214 54.858 1.793 5.385 18557396 54.860 4.713 5.385 13037505 54.863 8.475 5.385 21447528 54.877 0.582 5.387 8505253 54.877 2.259 5.386 16003361 54.878 8.287 5.391 7120930 54.904 6.441 5.382 5420560 55.123 1.882 4.146 15682518 55.135 3.165 4.138 5416718 55.138 1.690 4.140 19115314 55.149 0.712 5.220 6205348 55.160 2.083 4.180 13242447 55.162 1.064 5.129 5366920 55.163 8.408 4.162 24007016 55.180 2.105 5.127 12816342 55.192 8.964 5.225 17006132 55.222 1.374 4.182 63850700 55.247 9.124 5.124 22747626 55.258 9.129 5.206 4336710 55.258 5.147 5.215 18167768 55.260 1.919 5.132 8483722 55.260 1.112 5.221 9611649 55.267 1.310 5.225 7493513 55.303 8.015 4.131 3932097 55.341 1.309 5.112 4864474 55.341 5.232 5.124 17904164 55.366 8.897 4.231 13753732 55.373 1.336 4.222 60210304 55.390 3.251 5.034 10447020 55.406 7.167 5.036 21761010 55.437 8.890 5.035 29384050 55.546 1.579 4.245 16614446 55.549 8.358 3.993 13345395 55.557 0.863 3.992 21118246 55.561 1.375 3.992 52150112 55.590 0.836 4.245 24274446 55.592 1.697 4.243 17210932 55.592 1.697 4.243 17210932 55.593 0.596 4.002 22095450 55.595 1.679 3.999 34429104 55.606 8.575 3.998 6260003 55.613 1.552 4.000 61774068 55.630 7.812 4.001 17977314 55.692 8.065 4.245 10500355 55.723 2.996 5.048 9421359 55.813 8.117 4.549 10868364 55.889 3.026 4.531 80758720 55.978 2.101 4.366 12603751 55.989 8.270 4.366 10139963 55.993 2.333 4.368 5944514 55.997 1.970 4.366 9517964 56.118 8.659 4.421 9156987 56.131 7.637 3.845 6457218 56.132 2.699 4.424 22116604 56.143 1.095 3.847 35795432 56.147 0.413 5.295 7005750 56.151 8.631 3.847 11371254 56.155 7.048 3.850 12843991 56.157 6.855 3.846 15474576 56.178 2.464 3.845 7959494 56.203 2.741 5.294 8848731 56.209 5.817 3.844 6219353 56.213 1.944 5.299 4373115 56.230 8.174 4.257 60332432 56.236 3.126 5.292 9800191 56.236 8.341 5.289 27073336 56.270 7.212 5.292 7072239 56.330 8.209 4.254 53504184 56.484 1.401 4.070 32347862 56.495 1.580 4.070 17824224 56.499 0.570 4.069 29364882 56.506 0.341 4.069 8948450 56.506 7.928 4.071 9098834 56.513 7.370 4.075 10963923 56.516 1.981 4.244 60701388 56.516 1.981 4.244 60701388 56.523 2.203 4.244 33125650 56.651 0.904 4.069 7514549 56.675 0.895 4.247 9098694 56.677 8.379 4.234 31028656 56.753 0.908 4.014 3809160 56.760 0.638 4.025 8246962 56.780 3.546 5.067 7755599 56.873 1.926 4.021 23347392 56.878 5.079 5.077 58309936 56.897 8.563 5.076 17577818 56.905 2.185 4.019 11779057 56.905 2.002 4.018 10715892 56.910 1.874 4.212 40421156 56.911 8.415 4.020 31067342 56.911 8.415 4.020 31067342 56.939 5.439 5.080 9371287 57.060 7.874 4.206 22635856 57.077 1.681 4.208 17925650 57.098 9.179 5.081 2094331 57.158 3.048 4.380 17551268 57.174 3.143 4.381 20062606 57.304 2.639 4.320 34740060 57.309 1.634 4.321 22702166 57.329 8.623 4.323 14849547 57.353 2.118 4.321 11412591 57.380 8.099 4.319 8488193 57.383 1.850 4.320 12316157 57.672 0.374 4.542 4919322 57.744 7.632 4.546 5986858 57.745 7.122 3.974 9249154 57.764 0.501 3.975 15094077 57.767 0.759 3.974 28532446 57.784 1.371 3.973 12556656 57.786 6.880 4.542 7717768 57.800 6.489 3.660 1998450 57.828 2.200 3.645 14251523 57.833 1.803 3.642 12556292 57.834 2.420 3.646 7282310 57.836 0.938 3.643 19418012 57.849 0.659 4.088 31858070 57.852 7.592 4.086 24812202 57.862 1.609 3.638 11081891 57.863 7.157 4.540 17131274 57.866 0.824 3.641 13133378 57.890 8.835 4.545 5267846 57.938 2.665 4.538 9190737 57.953 2.187 4.081 19250646 57.954 1.514 4.082 26227464 57.966 1.742 4.081 33049060 57.988 3.167 4.534 8069124 58.003 0.502 3.736 8811386 58.012 0.862 4.077 39122340 58.046 7.905 4.074 10237840 58.091 8.688 4.214 6510402 58.104 0.777 4.216 22068352 58.112 1.815 4.216 25330110 58.129 8.113 4.217 10219322 58.130 1.641 4.217 13537737 58.148 1.396 4.217 18026518 58.165 0.411 3.732 25161066 58.167 1.189 3.732 14020057 58.173 1.471 3.732 9991164 58.174 1.912 3.732 14665964 58.185 7.597 4.215 3935696 58.232 2.195 3.997 27918140 58.250 2.326 3.997 40548196 58.256 8.317 3.725 6000312 58.268 7.581 3.998 23610410 58.272 8.888 3.736 3309806 58.278 2.609 3.998 11730036 58.284 8.284 4.535 26768516 58.289 8.533 4.496 30187978 58.289 8.533 4.496 30187978 58.306 2.882 4.498 57195352 58.306 2.882 4.498 57195352 58.361 0.834 4.003 29875522 58.371 1.621 4.300 11054350 58.377 1.847 4.002 28934798 58.377 1.847 4.002 28934798 58.382 7.974 3.998 11180856 58.384 1.682 4.002 30996534 58.407 1.858 4.303 15206580 58.481 7.704 4.309 6791346 58.843 1.780 4.128 13312527 58.993 2.100 4.129 23158972 59.066 2.210 4.133 25145372 59.096 7.518 4.132 15973372 59.101 0.656 3.977 3691176 59.103 2.442 4.135 7533064 59.144 1.727 3.989 27338878 59.159 7.838 4.138 10977484 59.160 1.440 3.986 25799540 59.190 8.335 3.984 11193682 59.202 1.487 4.054 15062738 59.211 8.074 3.982 3564560 59.213 7.537 4.062 14533677 59.217 1.682 4.051 15330324 59.235 1.862 4.055 27573580 59.280 0.831 3.993 3988154 59.494 3.279 4.331 15015207 59.524 3.219 4.331 13685073 59.551 8.491 4.331 9164072 59.615 2.242 3.138 8736962 59.668 1.324 3.132 10671489 59.671 7.221 3.139 4425018 59.683 2.873 3.137 10761672 59.696 1.661 3.139 13073395 59.704 2.689 3.141 7386546 59.747 6.523 3.143 5631738 59.902 0.776 3.735 10636509 59.918 1.549 3.746 4754151 59.922 7.974 3.732 5025282 59.930 2.002 3.736 43345436 59.935 8.891 3.737 11098260 59.941 1.377 3.738 10241972 59.963 2.489 3.732 11997301 59.990 2.151 3.618 18749920 59.993 1.930 3.623 15927249 60.066 2.711 3.614 7276038 60.121 0.347 4.549 8458305 60.137 7.298 4.554 8094462 60.165 1.143 4.551 31571580 60.186 8.210 4.550 9154116 60.200 4.804 4.551 33109996 60.209 3.692 4.217 26765988 60.326 1.522 4.359 12907033 60.377 8.619 4.356 67026448 60.390 2.082 4.359 16062564 60.392 0.975 4.358 47150728 60.430 8.240 4.360 12731869 60.473 0.987 3.774 8903011 60.480 1.896 3.773 17659470 60.492 2.120 3.774 19403268 60.511 1.199 3.776 21202410 60.528 8.252 3.774 11484360 60.535 0.343 3.773 15487683 60.542 7.559 5.288 5340827 60.548 1.608 3.775 8124511 60.555 1.979 5.300 6611438 60.602 0.651 5.293 12523789 60.610 8.820 5.305 4517402 60.622 4.790 5.300 10696843 60.656 9.562 5.296 22543446 60.672 0.913 5.294 16718363 60.672 0.913 5.294 16718363 60.700 1.140 4.597 20568182 60.735 1.022 4.589 24973114 60.735 1.022 4.589 24973114 60.758 5.622 4.598 12269214 60.774 0.563 4.568 13199178 60.775 7.147 4.586 3693810 60.780 8.424 4.581 38387632 60.822 1.843 4.571 9699320 61.019 2.700 4.157 3107870 61.030 1.679 4.156 6475532 61.104 3.794 4.157 14837999 61.125 3.858 4.155 17019962 61.166 2.221 4.160 7372734 61.195 1.722 4.018 12231929 61.210 0.643 4.018 19928872 61.212 8.247 4.017 25171716 61.217 1.034 4.016 8246546 61.280 3.030 4.154 3468606 61.447 8.480 3.913 3478176 61.453 1.775 3.920 10425430 61.475 8.170 3.914 9236262 61.481 6.852 3.918 12430673 61.485 1.060 3.916 13809601 61.494 2.863 3.916 9222592 61.510 0.945 3.926 9799206 61.516 2.676 3.918 15519757 61.733 1.654 4.072 8634332 61.760 0.665 4.069 4948530 61.768 7.858 4.079 10638397 61.788 1.802 4.072 9587452 62.045 8.396 4.313 7671548 62.070 1.169 4.312 11146253 62.112 8.242 4.310 4068954 62.362 1.431 3.758 3210338 62.367 8.951 3.975 4903771 62.388 0.785 3.969 21072636 62.390 1.202 3.970 5069956 62.397 0.891 4.081 57217432 62.405 2.035 4.082 24424518 62.407 4.081 4.080 1744212608 62.408 1.978 3.973 6625556 62.410 1.457 3.964 6901252 62.413 8.258 4.077 13307752 62.419 8.479 4.082 48548440 62.430 6.873 3.733 14217419 62.453 7.129 3.899 5482038 62.453 7.169 3.727 13731961 62.455 7.363 3.730 24472332 62.458 0.376 3.730 17096352 62.464 1.490 3.902 8529127 62.467 2.266 3.730 13684284 62.468 2.693 3.888 15424109 62.478 3.528 3.901 14038389 62.487 8.610 3.905 5985996 62.507 1.698 3.906 10306705 62.521 0.661 3.903 12895271 62.528 0.309 3.896 4704706 62.546 0.781 3.732 10522933 62.547 1.710 3.735 4127710 62.553 7.599 3.908 20556350 62.558 2.688 3.774 4966565 62.559 7.844 3.909 38721368 62.587 0.863 3.866 6161004 62.596 4.138 3.771 24136792 62.600 8.973 3.862 7565938 62.601 8.971 3.766 7718835 62.862 8.039 3.726 7927122 63.722 0.972 4.263 13202198 63.737 8.240 4.261 64614328 63.741 1.973 4.264 15291712 63.747 1.795 4.263 16642151 63.748 2.192 4.260 33275760 63.748 3.937 3.648 30850754 63.826 0.278 3.638 16888802 63.864 1.598 3.635 4436528 63.892 8.084 3.634 5630804 63.895 7.543 3.624 5389028 63.903 1.409 3.637 8982503 63.903 0.353 3.639 5415026 63.933 4.220 3.701 31684964 63.949 0.659 3.632 9141645 64.708 1.809 3.711 19021142 64.723 1.690 3.710 25795268 64.728 7.583 3.712 11693663 64.731 1.157 3.713 15580942 64.734 7.185 3.541 5290802 64.751 0.890 3.709 24533346 64.770 8.421 3.544 6673918 64.770 5.073 3.637 9001346 64.773 5.081 3.543 12541362 64.778 8.432 3.644 8615858 64.827 7.172 3.641 6242696 64.834 4.565 3.535 3805947 64.870 4.565 3.647 4167342 65.491 1.056 3.745 32777332 65.535 0.950 3.743 29662382 65.549 7.659 3.743 11889897 65.555 2.455 3.743 9092055 66.136 8.612 3.417 10970771 66.139 0.653 3.419 20473444 66.144 1.101 3.419 15028220 66.154 6.703 3.420 21197968 66.155 0.072 3.424 10673309 66.159 1.608 3.423 13469745 66.293 7.879 3.410 3246860 68.900 6.610 3.954 7170267 68.973 0.259 3.961 21754852 68.974 3.643 3.965 18394414 69.649 1.160 4.180 22026726 117.995 6.484 6.646 21144022 118.044 0.960 6.647 3346194 118.136 0.570 6.634 1852038 118.656 7.133 6.623 10648122 118.731 0.505 6.627 4644154 118.731 0.576 6.627 2847421 118.991 7.167 6.883 9267163 127.714 6.696 6.690 26373826 127.816 0.788 6.703 3405504 128.244 1.113 5.815 1296897 128.286 7.054 5.828 4471938 128.341 1.346 5.823 2784732 128.376 5.821 5.819 16478141 128.446 3.887 5.829 2480027 129.297 6.241 6.238 21583186 129.356 7.202 7.205 50953404 129.381 7.062 6.242 5117239 129.964 1.029 6.725 2977626 130.009 1.873 6.730 2410941 130.123 6.832 6.730 10680735 130.150 0.749 6.724 3575260 130.218 1.145 6.728 2494790 130.229 0.546 6.721 2022528 130.302 3.441 6.723 3603506 130.640 6.888 7.060 3491232 130.670 5.792 7.056 2411175 130.748 1.860 7.069 3026852 131.851 0.589 6.840 1692539 131.957 2.055 6.811 2794853 131.960 0.371 6.820 3111560 131.967 2.741 6.830 2182471 132.058 1.100 6.829 4157802 132.129 2.707 7.131 4090132 132.132 6.729 6.829 17369876 132.200 3.981 7.135 3551016 132.249 6.890 7.169 6568622 132.255 6.627 7.138 8728856 132.270 2.924 7.174 1605225 132.281 1.024 7.135 3661132 132.282 2.088 6.833 1993815 132.300 0.610 7.137 2292978 132.314 2.259 7.163 4737774 132.325 5.057 7.174 3974316 132.585 0.951 6.476 4259897 132.706 6.643 6.475 20411268 132.794 2.289 6.473 2936722 132.815 1.799 6.474 4517470 ; 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 C 1 14705.9 . . . 16238 2 2 H 1 H 2 8926.1 . . . 16238 2 3 H 1 H 1 12755.1 . . . 16238 2 stop_ save_