data_17175 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17175 _Entry.Title ; Solution NMR structure of hepothetical homodimer protein SP_0782 (7-79) from Streptococcus pneumoniae, Northeast Structural Genomics Consortium Target SpR104. ; _Entry.Version_type new _Entry.Submission_date 2010-09-10 _Entry.Accession_date 2010-09-10 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.0.29 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yunhuang Yang . . . 17175 2 Theresa Ramelot . A. . 17175 3 Dan Lee . . . 17175 4 Colleen Ciccosanti . . . 17175 5 Keith Hamilton . . . 17175 6 Thomas Acton . B. . 17175 7 Rong Xiao . . . 17175 8 John Everett . K. . 17175 9 Gaetano Montelione . T. . 17175 10 Michael Kennedy . A. . 17175 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 17175 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'homodimer protein SP_0782 (7-79)' . 17175 'Streptococcus pneumoniae' . 17175 'NMR solution structure' . 17175 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17175 spectral_peak_list 4 17175 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 555 17175 '13C chemical shifts' 358 17175 '15N chemical shifts' 92 17175 stop_ loop_ _Release.Release_number _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 2010-11-05 2010-09-10 original author . 17175 stop_ save_ ############### # Citations # ############### save_hepothetical_homodimer_protein_SP_0782_(7-79)_from_Streptococcus_pneumoniae _Citation.Sf_category citations _Citation.Sf_framecode hepothetical_homodimer_protein_SP_0782_(7-79)_from_Streptococcus_pneumoniae _Citation.Entry_ID 17175 _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 hepothetical homodimer protein SP_0782 (7-79) from Streptococcus pneumoniae, Northeast Structural Genomics Consortium Target SpR104.' _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 Yunhuang Yang . . . 17175 1 2 Theresa Ramelot . A. . 17175 1 3 Dan Lee . . . 17175 1 4 Colleen Ciccosanti . . . 17175 1 5 Keith Hamilton . . . 17175 1 6 Thomas Acton . B. . 17175 1 7 Rong Xiao . . . 17175 1 8 John Everett . K. . 17175 1 9 Gaetano Montelione . T. . 17175 1 10 Michael Kennedy . A. . 17175 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'hepothetical homodimer protein SP_0782 (7-79)' 17175 1 'Streptococcus pneumoniae' 17175 1 'Northeast Structural Genomics Consortium (NESG)' 17175 1 'Solution NMR' 17175 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17175 _Assembly.ID 1 _Assembly.Name 'SP_0782 homodimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 9574.8 _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 'SP_0782, chain 1' 1 $SP_0782 A . yes native no no . . . 17175 1 2 'SP_0782, chain 2' 1 $SP_0782 B . yes native no no . . . 17175 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SP_0782 _Entity.Sf_category entity _Entity.Sf_framecode SP_0782 _Entity.Entry_ID 17175 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SP_0782 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKKMAEFTFEIEEHLLTLSE NEKGWTKEINRVSFNGAPAK FDIRAWSPDHTKMGKGITLS NEEFQTMVDAFKGNLEHHHH HH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'homodimer protein SP_0782 (7-79) from Chromobacterium violaceum, preceded by non-native N-terminal Met and followed by 8 non-native C-terminal residues (LEHHHHHH)' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 82 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9574.8 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2011-12-03 loop_ _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 _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 no PDB 2L3A . "Solution Nmr Structure Of Homodimer Protein Sp_0782 (7-79) From Streptococcus Pneumoniae Northeast Structural Genomics Consorti" . . . . . 100.00 82 100.00 100.00 1.07e-40 . . . . 17175 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 6 MET . 17175 1 2 7 LYS . 17175 1 3 8 LYS . 17175 1 4 9 MET . 17175 1 5 10 ALA . 17175 1 6 11 GLU . 17175 1 7 12 PHE . 17175 1 8 13 THR . 17175 1 9 14 PHE . 17175 1 10 15 GLU . 17175 1 11 16 ILE . 17175 1 12 17 GLU . 17175 1 13 18 GLU . 17175 1 14 19 HIS . 17175 1 15 20 LEU . 17175 1 16 21 LEU . 17175 1 17 22 THR . 17175 1 18 23 LEU . 17175 1 19 24 SER . 17175 1 20 25 GLU . 17175 1 21 26 ASN . 17175 1 22 27 GLU . 17175 1 23 28 LYS . 17175 1 24 29 GLY . 17175 1 25 30 TRP . 17175 1 26 31 THR . 17175 1 27 32 LYS . 17175 1 28 33 GLU . 17175 1 29 34 ILE . 17175 1 30 35 ASN . 17175 1 31 36 ARG . 17175 1 32 37 VAL . 17175 1 33 38 SER . 17175 1 34 39 PHE . 17175 1 35 40 ASN . 17175 1 36 41 GLY . 17175 1 37 42 ALA . 17175 1 38 43 PRO . 17175 1 39 44 ALA . 17175 1 40 45 LYS . 17175 1 41 46 PHE . 17175 1 42 47 ASP . 17175 1 43 48 ILE . 17175 1 44 49 ARG . 17175 1 45 50 ALA . 17175 1 46 51 TRP . 17175 1 47 52 SER . 17175 1 48 53 PRO . 17175 1 49 54 ASP . 17175 1 50 55 HIS . 17175 1 51 56 THR . 17175 1 52 57 LYS . 17175 1 53 58 MET . 17175 1 54 59 GLY . 17175 1 55 60 LYS . 17175 1 56 61 GLY . 17175 1 57 62 ILE . 17175 1 58 63 THR . 17175 1 59 64 LEU . 17175 1 60 65 SER . 17175 1 61 66 ASN . 17175 1 62 67 GLU . 17175 1 63 68 GLU . 17175 1 64 69 PHE . 17175 1 65 70 GLN . 17175 1 66 71 THR . 17175 1 67 72 MET . 17175 1 68 73 VAL . 17175 1 69 74 ASP . 17175 1 70 75 ALA . 17175 1 71 76 PHE . 17175 1 72 77 LYS . 17175 1 73 78 GLY . 17175 1 74 79 ASN . 17175 1 75 80 LEU . 17175 1 76 81 GLU . 17175 1 77 82 HIS . 17175 1 78 83 HIS . 17175 1 79 84 HIS . 17175 1 80 85 HIS . 17175 1 81 86 HIS . 17175 1 82 87 HIS . 17175 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 17175 1 . LYS 2 2 17175 1 . LYS 3 3 17175 1 . MET 4 4 17175 1 . ALA 5 5 17175 1 . GLU 6 6 17175 1 . PHE 7 7 17175 1 . THR 8 8 17175 1 . PHE 9 9 17175 1 . GLU 10 10 17175 1 . ILE 11 11 17175 1 . GLU 12 12 17175 1 . GLU 13 13 17175 1 . HIS 14 14 17175 1 . LEU 15 15 17175 1 . LEU 16 16 17175 1 . THR 17 17 17175 1 . LEU 18 18 17175 1 . SER 19 19 17175 1 . GLU 20 20 17175 1 . ASN 21 21 17175 1 . GLU 22 22 17175 1 . LYS 23 23 17175 1 . GLY 24 24 17175 1 . TRP 25 25 17175 1 . THR 26 26 17175 1 . LYS 27 27 17175 1 . GLU 28 28 17175 1 . ILE 29 29 17175 1 . ASN 30 30 17175 1 . ARG 31 31 17175 1 . VAL 32 32 17175 1 . SER 33 33 17175 1 . PHE 34 34 17175 1 . ASN 35 35 17175 1 . GLY 36 36 17175 1 . ALA 37 37 17175 1 . PRO 38 38 17175 1 . ALA 39 39 17175 1 . LYS 40 40 17175 1 . PHE 41 41 17175 1 . ASP 42 42 17175 1 . ILE 43 43 17175 1 . ARG 44 44 17175 1 . ALA 45 45 17175 1 . TRP 46 46 17175 1 . SER 47 47 17175 1 . PRO 48 48 17175 1 . ASP 49 49 17175 1 . HIS 50 50 17175 1 . THR 51 51 17175 1 . LYS 52 52 17175 1 . MET 53 53 17175 1 . GLY 54 54 17175 1 . LYS 55 55 17175 1 . GLY 56 56 17175 1 . ILE 57 57 17175 1 . THR 58 58 17175 1 . LEU 59 59 17175 1 . SER 60 60 17175 1 . ASN 61 61 17175 1 . GLU 62 62 17175 1 . GLU 63 63 17175 1 . PHE 64 64 17175 1 . GLN 65 65 17175 1 . THR 66 66 17175 1 . MET 67 67 17175 1 . VAL 68 68 17175 1 . ASP 69 69 17175 1 . ALA 70 70 17175 1 . PHE 71 71 17175 1 . LYS 72 72 17175 1 . GLY 73 73 17175 1 . ASN 74 74 17175 1 . LEU 75 75 17175 1 . GLU 76 76 17175 1 . HIS 77 77 17175 1 . HIS 78 78 17175 1 . HIS 79 79 17175 1 . HIS 80 80 17175 1 . HIS 81 81 17175 1 . HIS 82 82 17175 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 17175 _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 $SP_0782 . 1313 organism . 'Streptococcus pneumoniae' 'S. pneumoniae' . . Bacteria . Streptococcus pneumoniae . . . . . . . . . . . . . . . . SP_0782 . Residues(7-79) . . 17175 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 17175 _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 $SP_0782 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3) pMGK' . . . . . . . . . . . . . . . 'pET 21-23C' . . . 'C-tag: LEHHHHHH' . . 17175 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC_sample _Sample.Sf_category sample _Sample.Sf_framecode NC_sample _Sample.Entry_ID 17175 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'homodimer protein SP_0782 (7-79) from Streptococcus pneumoniae' '[U-100% 13C; U-100% 15N]' . . 1 $SP_0782 . . 1.2 . . mM 0.12 . . . 17175 1 2 'ammonium acetate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 17175 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 5 . . . 17175 1 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.2 . . . 17175 1 5 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 17175 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 17175 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17175 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17175 1 stop_ save_ save_NC5_sample _Sample.Sf_category sample _Sample.Sf_framecode NC5_sample _Sample.Entry_ID 17175 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'homodimer protein SP_0782 (7-79) from Streptococcus pneumoniae' '[U-5% 13C; U-100% 15N]' . . 1 $SP_0782 . . 1.2 . . mM 0.12 . . . 17175 2 2 'ammonium acetate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 17175 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 5 . . . 17175 2 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.2 . . . 17175 2 5 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 17175 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 17175 2 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17175 2 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17175 2 stop_ save_ save_NC_sample_in_D2O _Sample.Sf_category sample _Sample.Sf_framecode NC_sample_in_D2O _Sample.Entry_ID 17175 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'homodimer protein SP_0782 (7-79) from Streptococcus pneumoniae' '[U-100% 13C; U-100% 15N]' . . 1 $SP_0782 . . 1.2 . . mM 0.12 . . . 17175 3 2 'ammonium acetate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 17175 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 5 . . . 17175 3 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.2 . . . 17175 3 5 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 17175 3 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 17175 3 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17175 3 stop_ save_ save_mixed_sample _Sample.Sf_category sample _Sample.Sf_framecode mixed_sample _Sample.Entry_ID 17175 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'mixted protein sample of 1:1 concentration ratio of NC sample:natural abundance sample. (both 1.2mM before being mixed together)' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'homodimer protein SP_0782 (7-79) from Streptococcus pneumoniae' '[U-100% 13C; U-100% 15N]' . . 1 $SP_0782 . . 1.2 . . mM 0.12 . . . 17175 4 2 'homodimer protein SP_0782 (7-79) from Streptococcus pneumoniae' 'natural abundance' . . 1 $SP_0782 . . 1.2 . . mM 0.12 . . . 17175 4 3 'ammonium acetate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 17175 4 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 5 . . . 17175 4 5 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.2 . . . 17175 4 6 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 17175 4 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 17175 4 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17175 4 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17175 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17175 _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 temperature 293 1 K 17175 1 pH 4.5 0.1 pH 17175 1 pressure 1 . atm 17175 1 'ionic strength' 0.2 0.02 M 17175 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17175 _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' . . 17175 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17175 1 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 17175 _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 . . 17175 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17175 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17175 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 2.1.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17175 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17175 3 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 17175 _Software.ID 4 _Software.Name AutoStructure _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' . . 17175 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17175 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17175 _Software.ID 5 _Software.Name X-PLOR_NIH _Software.Version 2.25 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17175 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17175 5 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17175 _Software.ID 6 _Software.Name CNS _Software.Version 1.2 _Software.Details 'water refinement' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17175 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17175 6 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17175 _Software.ID 7 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17175 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17175 7 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 17175 _Software.ID 8 _Software.Name PSVS _Software.Version 1.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 17175 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17175 8 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 17175 _Software.ID 9 _Software.Name AutoAssign _Software.Version 2.30 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 17175 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17175 9 stop_ save_ save_PDBSTAT _Software.Sf_category software _Software.Sf_framecode PDBSTAT _Software.Entry_ID 17175 _Software.ID 10 _Software.Name PDBSTAT _Software.Version 5.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(PdbStat)-Roberto Tejero and Gaetano T. Montelione' . . 17175 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17175 10 stop_ save_ save_PINE_Server _Software.Sf_category software _Software.Sf_framecode PINE_Server _Software.Entry_ID 17175 _Software.ID 11 _Software.Name PINE_Server _Software.Version 1.0 _Software.Details 'autoassignment server' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, A., Assadi, A., Markley, J. L. & Eghbalnia, H.' . . 17175 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID autoassignment 17175 11 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17175 _Software.ID 12 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17175 12 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17175 12 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17175 _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_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17175 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17175 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 17175 1 2 spectrometer_2 Bruker AvanceIII . 850 . . . 17175 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 17175 _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.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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . 17175 1 2 '2D 1H-13C HSQC_CT' no . . 2 $NC5_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . 17175 1 3 '3D 1H-15N NOESY' no . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . 17175 1 4 '3D 1H-13C NOESY' no . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . 17175 1 5 '3D HNCO' no . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . 17175 1 6 '3D HNCA' no . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . 17175 1 7 '3D HNCACB' no . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . 17175 1 8 '3D CBCA(CO)NH' no . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . 17175 1 9 '3D HN(CO)CA' no . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . 17175 1 10 '3D HBHA(CO)NH' no . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . 17175 1 11 '3D H(CCO)NH' no . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . 17175 1 12 '3D C(CO)NH' no . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . 17175 1 13 '3D HCCH-TOCSY' no . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . 17175 1 14 '3D HCCH-COSY' no . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . 17175 1 15 '3D (H)CCH-TOCSY' no . . 3 $NC_sample_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . 17175 1 16 '4D CC NOESY' no . . 3 $NC_sample_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . 17175 1 17 '2D 1H-15N HSQC_swN150ppm' no . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . 17175 1 18 '3D edited/filtered 13C NOESY' no . . 4 $mixed_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . 17175 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 17175 _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 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17175 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17175 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17175 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 17175 _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' . . . 17175 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 7 $SPARKY . . 17175 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_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.11 0.02 . 1 . . . 6 MET HA . 17175 1 2 . 1 1 1 1 MET HB2 H 1 2.13 0.02 . 2 . . . 6 MET HB2 . 17175 1 3 . 1 1 1 1 MET HB3 H 1 2.13 0.02 . 2 . . . 6 MET HB3 . 17175 1 4 . 1 1 1 1 MET HE1 H 1 2.08 0.02 . 1 . . . 6 MET HE . 17175 1 5 . 1 1 1 1 MET HE2 H 1 2.08 0.02 . 1 . . . 6 MET HE . 17175 1 6 . 1 1 1 1 MET HE3 H 1 2.08 0.02 . 1 . . . 6 MET HE . 17175 1 7 . 1 1 1 1 MET HG2 H 1 2.56 0.02 . 2 . . . 6 MET HG2 . 17175 1 8 . 1 1 1 1 MET HG3 H 1 2.56 0.02 . 2 . . . 6 MET HG3 . 17175 1 9 . 1 1 1 1 MET C C 13 172 0.2 . 1 . . . 6 MET C . 17175 1 10 . 1 1 1 1 MET CA C 13 55 0.2 . 1 . . . 6 MET CA . 17175 1 11 . 1 1 1 1 MET CB C 13 32.9 0.2 . 1 . . . 6 MET CB . 17175 1 12 . 1 1 1 1 MET CE C 13 16.8 0.2 . 1 . . . 6 MET CE . 17175 1 13 . 1 1 1 1 MET CG C 13 30.8 0.2 . 1 . . . 6 MET CG . 17175 1 14 . 1 1 2 2 LYS H H 1 8.69 0.02 . 1 . . . 7 LYS H . 17175 1 15 . 1 1 2 2 LYS HA H 1 4.32 0.02 . 1 . . . 7 LYS HA . 17175 1 16 . 1 1 2 2 LYS HB2 H 1 1.76 0.02 . 2 . . . 7 LYS HB2 . 17175 1 17 . 1 1 2 2 LYS HB3 H 1 1.7 0.02 . 2 . . . 7 LYS HB3 . 17175 1 18 . 1 1 2 2 LYS HD2 H 1 1.64 0.02 . 2 . . . 7 LYS HD2 . 17175 1 19 . 1 1 2 2 LYS HD3 H 1 1.64 0.02 . 2 . . . 7 LYS HD3 . 17175 1 20 . 1 1 2 2 LYS HE2 H 1 2.95 0.02 . 2 . . . 7 LYS HE2 . 17175 1 21 . 1 1 2 2 LYS HE3 H 1 2.95 0.02 . 2 . . . 7 LYS HE3 . 17175 1 22 . 1 1 2 2 LYS HG2 H 1 1.38 0.02 . 2 . . . 7 LYS HG2 . 17175 1 23 . 1 1 2 2 LYS HG3 H 1 1.38 0.02 . 2 . . . 7 LYS HG3 . 17175 1 24 . 1 1 2 2 LYS C C 13 175.7 0.2 . 1 . . . 7 LYS C . 17175 1 25 . 1 1 2 2 LYS CA C 13 56.4 0.2 . 1 . . . 7 LYS CA . 17175 1 26 . 1 1 2 2 LYS CB C 13 33.2 0.2 . 1 . . . 7 LYS CB . 17175 1 27 . 1 1 2 2 LYS CD C 13 29.2 0.2 . 1 . . . 7 LYS CD . 17175 1 28 . 1 1 2 2 LYS CE C 13 42.2 0.2 . 1 . . . 7 LYS CE . 17175 1 29 . 1 1 2 2 LYS CG C 13 24.7 0.2 . 1 . . . 7 LYS CG . 17175 1 30 . 1 1 2 2 LYS N N 15 125 0.2 . 1 . . . 7 LYS N . 17175 1 31 . 1 1 3 3 LYS H H 1 8.49 0.02 . 1 . . . 8 LYS H . 17175 1 32 . 1 1 3 3 LYS HA H 1 4.25 0.02 . 1 . . . 8 LYS HA . 17175 1 33 . 1 1 3 3 LYS HB2 H 1 1.76 0.02 . 2 . . . 8 LYS HB2 . 17175 1 34 . 1 1 3 3 LYS HB3 H 1 1.7 0.02 . 2 . . . 8 LYS HB3 . 17175 1 35 . 1 1 3 3 LYS HD2 H 1 1.64 0.02 . 2 . . . 8 LYS HD2 . 17175 1 36 . 1 1 3 3 LYS HD3 H 1 1.64 0.02 . 2 . . . 8 LYS HD3 . 17175 1 37 . 1 1 3 3 LYS HE2 H 1 2.95 0.02 . 2 . . . 8 LYS HE2 . 17175 1 38 . 1 1 3 3 LYS HE3 H 1 2.95 0.02 . 2 . . . 8 LYS HE3 . 17175 1 39 . 1 1 3 3 LYS HG2 H 1 1.38 0.02 . 2 . . . 8 LYS HG2 . 17175 1 40 . 1 1 3 3 LYS HG3 H 1 1.38 0.02 . 2 . . . 8 LYS HG3 . 17175 1 41 . 1 1 3 3 LYS C C 13 176.3 0.2 . 1 . . . 8 LYS C . 17175 1 42 . 1 1 3 3 LYS CA C 13 56.4 0.2 . 1 . . . 8 LYS CA . 17175 1 43 . 1 1 3 3 LYS CB C 13 33.2 0.2 . 1 . . . 8 LYS CB . 17175 1 44 . 1 1 3 3 LYS CD C 13 29.2 0.2 . 1 . . . 8 LYS CD . 17175 1 45 . 1 1 3 3 LYS CE C 13 42.2 0.2 . 1 . . . 8 LYS CE . 17175 1 46 . 1 1 3 3 LYS CG C 13 24.7 0.2 . 1 . . . 8 LYS CG . 17175 1 47 . 1 1 3 3 LYS N N 15 124.2 0.2 . 1 . . . 8 LYS N . 17175 1 48 . 1 1 4 4 MET H H 1 8.48 0.02 . 1 . . . 9 MET H . 17175 1 49 . 1 1 4 4 MET HA H 1 4.42 0.02 . 1 . . . 9 MET HA . 17175 1 50 . 1 1 4 4 MET HB2 H 1 2.04 0.02 . 2 . . . 9 MET HB2 . 17175 1 51 . 1 1 4 4 MET HB3 H 1 1.96 0.02 . 2 . . . 9 MET HB3 . 17175 1 52 . 1 1 4 4 MET HE1 H 1 2.05 0.02 . 1 . . . 9 MET HE . 17175 1 53 . 1 1 4 4 MET HE2 H 1 2.05 0.02 . 1 . . . 9 MET HE . 17175 1 54 . 1 1 4 4 MET HE3 H 1 2.05 0.02 . 1 . . . 9 MET HE . 17175 1 55 . 1 1 4 4 MET HG2 H 1 2.58 0.02 . 2 . . . 9 MET HG2 . 17175 1 56 . 1 1 4 4 MET HG3 H 1 2.51 0.02 . 2 . . . 9 MET HG3 . 17175 1 57 . 1 1 4 4 MET C C 13 175.7 0.2 . 1 . . . 9 MET C . 17175 1 58 . 1 1 4 4 MET CA C 13 55.3 0.2 . 1 . . . 9 MET CA . 17175 1 59 . 1 1 4 4 MET CB C 13 33 0.2 . 1 . . . 9 MET CB . 17175 1 60 . 1 1 4 4 MET CE C 13 17 0.2 . 1 . . . 9 MET CE . 17175 1 61 . 1 1 4 4 MET CG C 13 32.1 0.2 . 1 . . . 9 MET CG . 17175 1 62 . 1 1 4 4 MET N N 15 123.1 0.2 . 1 . . . 9 MET N . 17175 1 63 . 1 1 5 5 ALA H H 1 8.34 0.02 . 1 . . . 10 ALA H . 17175 1 64 . 1 1 5 5 ALA HA H 1 4.25 0.02 . 1 . . . 10 ALA HA . 17175 1 65 . 1 1 5 5 ALA HB1 H 1 1.33 0.02 . 1 . . . 10 ALA HB . 17175 1 66 . 1 1 5 5 ALA HB2 H 1 1.33 0.02 . 1 . . . 10 ALA HB . 17175 1 67 . 1 1 5 5 ALA HB3 H 1 1.33 0.02 . 1 . . . 10 ALA HB . 17175 1 68 . 1 1 5 5 ALA C C 13 177.2 0.2 . 1 . . . 10 ALA C . 17175 1 69 . 1 1 5 5 ALA CA C 13 52.5 0.2 . 1 . . . 10 ALA CA . 17175 1 70 . 1 1 5 5 ALA CB C 13 19.4 0.2 . 1 . . . 10 ALA CB . 17175 1 71 . 1 1 5 5 ALA N N 15 125.5 0.2 . 1 . . . 10 ALA N . 17175 1 72 . 1 1 6 6 GLU H H 1 8.34 0.02 . 1 . . . 11 GLU H . 17175 1 73 . 1 1 6 6 GLU HA H 1 4.22 0.02 . 1 . . . 11 GLU HA . 17175 1 74 . 1 1 6 6 GLU HB2 H 1 1.96 0.02 . 2 . . . 11 GLU HB2 . 17175 1 75 . 1 1 6 6 GLU HB3 H 1 1.86 0.02 . 2 . . . 11 GLU HB3 . 17175 1 76 . 1 1 6 6 GLU HG2 H 1 2.22 0.02 . 2 . . . 11 GLU HG2 . 17175 1 77 . 1 1 6 6 GLU HG3 H 1 2.15 0.02 . 2 . . . 11 GLU HG3 . 17175 1 78 . 1 1 6 6 GLU C C 13 175.6 0.2 . 1 . . . 11 GLU C . 17175 1 79 . 1 1 6 6 GLU CA C 13 56.4 0.2 . 1 . . . 11 GLU CA . 17175 1 80 . 1 1 6 6 GLU CB C 13 30.2 0.2 . 1 . . . 11 GLU CB . 17175 1 81 . 1 1 6 6 GLU CG C 13 35.4 0.2 . 1 . . . 11 GLU CG . 17175 1 82 . 1 1 6 6 GLU N N 15 120.3 0.2 . 1 . . . 11 GLU N . 17175 1 83 . 1 1 7 7 PHE H H 1 8.2 0.02 . 1 . . . 12 PHE H . 17175 1 84 . 1 1 7 7 PHE HA H 1 5.06 0.02 . 1 . . . 12 PHE HA . 17175 1 85 . 1 1 7 7 PHE HB2 H 1 3.15 0.02 . 2 . . . 12 PHE HB2 . 17175 1 86 . 1 1 7 7 PHE HB3 H 1 3.1 0.02 . 2 . . . 12 PHE HB3 . 17175 1 87 . 1 1 7 7 PHE HD1 H 1 7.32 0.02 . 3 . . . 12 PHE HD1 . 17175 1 88 . 1 1 7 7 PHE HD2 H 1 7.32 0.02 . 3 . . . 12 PHE HD2 . 17175 1 89 . 1 1 7 7 PHE HE1 H 1 7.32 0.02 . 3 . . . 12 PHE HE1 . 17175 1 90 . 1 1 7 7 PHE HE2 H 1 7.32 0.02 . 3 . . . 12 PHE HE2 . 17175 1 91 . 1 1 7 7 PHE HZ H 1 7.18 0.02 . 1 . . . 12 PHE HZ . 17175 1 92 . 1 1 7 7 PHE C C 13 175.5 0.2 . 1 . . . 12 PHE C . 17175 1 93 . 1 1 7 7 PHE CA C 13 57.1 0.2 . 1 . . . 12 PHE CA . 17175 1 94 . 1 1 7 7 PHE CB C 13 40.4 0.2 . 1 . . . 12 PHE CB . 17175 1 95 . 1 1 7 7 PHE CD1 C 13 132.2 0.2 . 3 . . . 12 PHE CD1 . 17175 1 96 . 1 1 7 7 PHE CD2 C 13 132.2 0.2 . 3 . . . 12 PHE CD2 . 17175 1 97 . 1 1 7 7 PHE CE1 C 13 131.4 0.2 . 3 . . . 12 PHE CE1 . 17175 1 98 . 1 1 7 7 PHE CE2 C 13 131.4 0.2 . 3 . . . 12 PHE CE2 . 17175 1 99 . 1 1 7 7 PHE CZ C 13 129.8 0.2 . 1 . . . 12 PHE CZ . 17175 1 100 . 1 1 7 7 PHE N N 15 121.1 0.2 . 1 . . . 12 PHE N . 17175 1 101 . 1 1 8 8 THR H H 1 8.31 0.02 . 1 . . . 13 THR H . 17175 1 102 . 1 1 8 8 THR HA H 1 4.55 0.02 . 1 . . . 13 THR HA . 17175 1 103 . 1 1 8 8 THR HB H 1 4.16 0.02 . 1 . . . 13 THR HB . 17175 1 104 . 1 1 8 8 THR HG21 H 1 1.13 0.02 . 1 . . . 13 THR HG2 . 17175 1 105 . 1 1 8 8 THR HG22 H 1 1.13 0.02 . 1 . . . 13 THR HG2 . 17175 1 106 . 1 1 8 8 THR HG23 H 1 1.13 0.02 . 1 . . . 13 THR HG2 . 17175 1 107 . 1 1 8 8 THR C C 13 173.2 0.2 . 1 . . . 13 THR C . 17175 1 108 . 1 1 8 8 THR CA C 13 60.8 0.2 . 1 . . . 13 THR CA . 17175 1 109 . 1 1 8 8 THR CB C 13 71 0.2 . 1 . . . 13 THR CB . 17175 1 110 . 1 1 8 8 THR CG2 C 13 21.3 0.2 . 1 . . . 13 THR CG2 . 17175 1 111 . 1 1 8 8 THR N N 15 115.9 0.2 . 1 . . . 13 THR N . 17175 1 112 . 1 1 9 9 PHE H H 1 7.9 0.02 . 1 . . . 14 PHE H . 17175 1 113 . 1 1 9 9 PHE HA H 1 5.54 0.02 . 1 . . . 14 PHE HA . 17175 1 114 . 1 1 9 9 PHE HB2 H 1 3.06 0.02 . 2 . . . 14 PHE HB2 . 17175 1 115 . 1 1 9 9 PHE HB3 H 1 2.48 0.02 . 2 . . . 14 PHE HB3 . 17175 1 116 . 1 1 9 9 PHE HD1 H 1 6.95 0.02 . 3 . . . 14 PHE HD1 . 17175 1 117 . 1 1 9 9 PHE HD2 H 1 6.95 0.02 . 3 . . . 14 PHE HD2 . 17175 1 118 . 1 1 9 9 PHE C C 13 173.6 0.2 . 1 . . . 14 PHE C . 17175 1 119 . 1 1 9 9 PHE CA C 13 55.6 0.2 . 1 . . . 14 PHE CA . 17175 1 120 . 1 1 9 9 PHE CB C 13 42.4 0.2 . 1 . . . 14 PHE CB . 17175 1 121 . 1 1 9 9 PHE CD1 C 13 132.4 0.2 . 3 . . . 14 PHE CD1 . 17175 1 122 . 1 1 9 9 PHE CD2 C 13 132.4 0.2 . 3 . . . 14 PHE CD2 . 17175 1 123 . 1 1 9 9 PHE N N 15 117.9 0.2 . 1 . . . 14 PHE N . 17175 1 124 . 1 1 10 10 GLU H H 1 8.38 0.02 . 1 . . . 15 GLU H . 17175 1 125 . 1 1 10 10 GLU HA H 1 4.33 0.02 . 1 . . . 15 GLU HA . 17175 1 126 . 1 1 10 10 GLU HB2 H 1 1.82 0.02 . 2 . . . 15 GLU HB2 . 17175 1 127 . 1 1 10 10 GLU HB3 H 1 1.77 0.02 . 2 . . . 15 GLU HB3 . 17175 1 128 . 1 1 10 10 GLU HG2 H 1 2.07 0.02 . 2 . . . 15 GLU HG2 . 17175 1 129 . 1 1 10 10 GLU HG3 H 1 1.92 0.02 . 2 . . . 15 GLU HG3 . 17175 1 130 . 1 1 10 10 GLU C C 13 175 0.2 . 1 . . . 15 GLU C . 17175 1 131 . 1 1 10 10 GLU CA C 13 55.2 0.2 . 1 . . . 15 GLU CA . 17175 1 132 . 1 1 10 10 GLU CB C 13 32.8 0.2 . 1 . . . 15 GLU CB . 17175 1 133 . 1 1 10 10 GLU CG C 13 34.5 0.2 . 1 . . . 15 GLU CG . 17175 1 134 . 1 1 10 10 GLU N N 15 118.6 0.2 . 1 . . . 15 GLU N . 17175 1 135 . 1 1 11 11 ILE H H 1 9.30 0.02 . 1 . . . 16 ILE H . 17175 1 136 . 1 1 11 11 ILE HA H 1 3.72 0.02 . 1 . . . 16 ILE HA . 17175 1 137 . 1 1 11 11 ILE HB H 1 1.45 0.02 . 1 . . . 16 ILE HB . 17175 1 138 . 1 1 11 11 ILE HD11 H 1 -0.44 0.02 . 1 . . . 16 ILE HD1 . 17175 1 139 . 1 1 11 11 ILE HD12 H 1 -0.44 0.02 . 1 . . . 16 ILE HD1 . 17175 1 140 . 1 1 11 11 ILE HD13 H 1 -0.44 0.02 . 1 . . . 16 ILE HD1 . 17175 1 141 . 1 1 11 11 ILE HG12 H 1 1.3 0.02 . 2 . . . 16 ILE HG12 . 17175 1 142 . 1 1 11 11 ILE HG13 H 1 0.22 0.02 . 2 . . . 16 ILE HG13 . 17175 1 143 . 1 1 11 11 ILE HG21 H 1 0.33 0.02 . 1 . . . 16 ILE HG2 . 17175 1 144 . 1 1 11 11 ILE HG22 H 1 0.33 0.02 . 1 . . . 16 ILE HG2 . 17175 1 145 . 1 1 11 11 ILE HG23 H 1 0.33 0.02 . 1 . . . 16 ILE HG2 . 17175 1 146 . 1 1 11 11 ILE C C 13 174.8 0.2 . 1 . . . 16 ILE C . 17175 1 147 . 1 1 11 11 ILE CA C 13 63.1 0.2 . 1 . . . 16 ILE CA . 17175 1 148 . 1 1 11 11 ILE CB C 13 36.9 0.2 . 1 . . . 16 ILE CB . 17175 1 149 . 1 1 11 11 ILE CD1 C 13 12.2 0.2 . 1 . . . 16 ILE CD1 . 17175 1 150 . 1 1 11 11 ILE CG1 C 13 28.9 0.2 . 1 . . . 16 ILE CG1 . 17175 1 151 . 1 1 11 11 ILE CG2 C 13 16.8 0.2 . 1 . . . 16 ILE CG2 . 17175 1 152 . 1 1 11 11 ILE N N 15 128.3 0.2 . 1 . . . 16 ILE N . 17175 1 153 . 1 1 12 12 GLU H H 1 8.44 0.02 . 1 . . . 17 GLU H . 17175 1 154 . 1 1 12 12 GLU HA H 1 4.24 0.02 . 1 . . . 17 GLU HA . 17175 1 155 . 1 1 12 12 GLU HB2 H 1 1.37 0.02 . 2 . . . 17 GLU HB2 . 17175 1 156 . 1 1 12 12 GLU HB3 H 1 1.37 0.02 . 2 . . . 17 GLU HB3 . 17175 1 157 . 1 1 12 12 GLU HG2 H 1 2.17 0.02 . 2 . . . 17 GLU HG2 . 17175 1 158 . 1 1 12 12 GLU HG3 H 1 2.1 0.02 . 2 . . . 17 GLU HG3 . 17175 1 159 . 1 1 12 12 GLU C C 13 176.3 0.2 . 1 . . . 17 GLU C . 17175 1 160 . 1 1 12 12 GLU CA C 13 56.8 0.2 . 1 . . . 17 GLU CA . 17175 1 161 . 1 1 12 12 GLU CB C 13 29.7 0.2 . 1 . . . 17 GLU CB . 17175 1 162 . 1 1 12 12 GLU CG C 13 34.2 0.2 . 1 . . . 17 GLU CG . 17175 1 163 . 1 1 12 12 GLU N N 15 129.6 0.2 . 1 . . . 17 GLU N . 17175 1 164 . 1 1 13 13 GLU H H 1 7.42 0.02 . 1 . . . 18 GLU H . 17175 1 165 . 1 1 13 13 GLU HA H 1 4.29 0.02 . 1 . . . 18 GLU HA . 17175 1 166 . 1 1 13 13 GLU HB2 H 1 1.83 0.02 . 2 . . . 18 GLU HB2 . 17175 1 167 . 1 1 13 13 GLU HB3 H 1 1.56 0.02 . 2 . . . 18 GLU HB3 . 17175 1 168 . 1 1 13 13 GLU HG2 H 1 2.23 0.02 . 2 . . . 18 GLU HG2 . 17175 1 169 . 1 1 13 13 GLU HG3 H 1 1.93 0.02 . 2 . . . 18 GLU HG3 . 17175 1 170 . 1 1 13 13 GLU C C 13 173.9 0.2 . 1 . . . 18 GLU C . 17175 1 171 . 1 1 13 13 GLU CA C 13 55.6 0.2 . 1 . . . 18 GLU CA . 17175 1 172 . 1 1 13 13 GLU CB C 13 33.7 0.2 . 1 . . . 18 GLU CB . 17175 1 173 . 1 1 13 13 GLU CG C 13 35.4 0.2 . 1 . . . 18 GLU CG . 17175 1 174 . 1 1 13 13 GLU N N 15 115.7 0.2 . 1 . . . 18 GLU N . 17175 1 175 . 1 1 14 14 HIS H H 1 9.27 0.02 . 1 . . . 19 HIS H . 17175 1 176 . 1 1 14 14 HIS HA H 1 6.01 0.02 . 1 . . . 19 HIS HA . 17175 1 177 . 1 1 14 14 HIS HB2 H 1 3.02 0.02 . 2 . . . 19 HIS HB2 . 17175 1 178 . 1 1 14 14 HIS HB3 H 1 2.78 0.02 . 2 . . . 19 HIS HB3 . 17175 1 179 . 1 1 14 14 HIS HD2 H 1 7.1 0.02 . 1 . . . 19 HIS HD2 . 17175 1 180 . 1 1 14 14 HIS HE1 H 1 8 0.02 . 1 . . . 19 HIS HE1 . 17175 1 181 . 1 1 14 14 HIS C C 13 174.1 0.2 . 1 . . . 19 HIS C . 17175 1 182 . 1 1 14 14 HIS CA C 13 53.7 0.2 . 1 . . . 19 HIS CA . 17175 1 183 . 1 1 14 14 HIS CB C 13 29 0.2 . 1 . . . 19 HIS CB . 17175 1 184 . 1 1 14 14 HIS CD2 C 13 120.5 0.2 . 1 . . . 19 HIS CD2 . 17175 1 185 . 1 1 14 14 HIS CE1 C 13 135.7 0.2 . 1 . . . 19 HIS CE1 . 17175 1 186 . 1 1 14 14 HIS N N 15 126.9 0.2 . 1 . . . 19 HIS N . 17175 1 187 . 1 1 14 14 HIS ND1 N 15 172.9 0.2 . 1 . . . 19 HIS ND1 . 17175 1 188 . 1 1 14 14 HIS NE2 N 15 176.6 0.2 . 1 . . . 19 HIS NE2 . 17175 1 189 . 1 1 15 15 LEU H H 1 8.21 0.02 . 1 . . . 20 LEU H . 17175 1 190 . 1 1 15 15 LEU HA H 1 4.52 0.02 . 1 . . . 20 LEU HA . 17175 1 191 . 1 1 15 15 LEU HB2 H 1 1.52 0.02 . 2 . . . 20 LEU HB2 . 17175 1 192 . 1 1 15 15 LEU HB3 H 1 1.4 0.02 . 2 . . . 20 LEU HB3 . 17175 1 193 . 1 1 15 15 LEU HD11 H 1 0.78 0.02 . 2 . . . 20 LEU HD1 . 17175 1 194 . 1 1 15 15 LEU HD12 H 1 0.78 0.02 . 2 . . . 20 LEU HD1 . 17175 1 195 . 1 1 15 15 LEU HD13 H 1 0.78 0.02 . 2 . . . 20 LEU HD1 . 17175 1 196 . 1 1 15 15 LEU HD21 H 1 0.82 0.02 . 2 . . . 20 LEU HD2 . 17175 1 197 . 1 1 15 15 LEU HD22 H 1 0.82 0.02 . 2 . . . 20 LEU HD2 . 17175 1 198 . 1 1 15 15 LEU HD23 H 1 0.82 0.02 . 2 . . . 20 LEU HD2 . 17175 1 199 . 1 1 15 15 LEU HG H 1 1.51 0.02 . 1 . . . 20 LEU HG . 17175 1 200 . 1 1 15 15 LEU C C 13 176.3 0.2 . 1 . . . 20 LEU C . 17175 1 201 . 1 1 15 15 LEU CA C 13 57 0.2 . 1 . . . 20 LEU CA . 17175 1 202 . 1 1 15 15 LEU CB C 13 42.1 0.2 . 1 . . . 20 LEU CB . 17175 1 203 . 1 1 15 15 LEU CD1 C 13 25.4 0.2 . 2 . . . 20 LEU CD1 . 17175 1 204 . 1 1 15 15 LEU CD2 C 13 25 0.2 . 2 . . . 20 LEU CD2 . 17175 1 205 . 1 1 15 15 LEU CG C 13 29.3 0.2 . 1 . . . 20 LEU CG . 17175 1 206 . 1 1 15 15 LEU N N 15 126.2 0.2 . 1 . . . 20 LEU N . 17175 1 207 . 1 1 16 16 LEU H H 1 7.48 0.02 . 1 . . . 21 LEU H . 17175 1 208 . 1 1 16 16 LEU HA H 1 4.37 0.02 . 1 . . . 21 LEU HA . 17175 1 209 . 1 1 16 16 LEU HB2 H 1 1.35 0.02 . 2 . . . 21 LEU HB2 . 17175 1 210 . 1 1 16 16 LEU HB3 H 1 1.35 0.02 . 2 . . . 21 LEU HB3 . 17175 1 211 . 1 1 16 16 LEU HD11 H 1 0.81 0.02 . 2 . . . 21 LEU HD1 . 17175 1 212 . 1 1 16 16 LEU HD12 H 1 0.81 0.02 . 2 . . . 21 LEU HD1 . 17175 1 213 . 1 1 16 16 LEU HD13 H 1 0.81 0.02 . 2 . . . 21 LEU HD1 . 17175 1 214 . 1 1 16 16 LEU HD21 H 1 0.61 0.02 . 2 . . . 21 LEU HD2 . 17175 1 215 . 1 1 16 16 LEU HD22 H 1 0.61 0.02 . 2 . . . 21 LEU HD2 . 17175 1 216 . 1 1 16 16 LEU HD23 H 1 0.61 0.02 . 2 . . . 21 LEU HD2 . 17175 1 217 . 1 1 16 16 LEU HG H 1 1.26 0.02 . 1 . . . 21 LEU HG . 17175 1 218 . 1 1 16 16 LEU C C 13 175 0.2 . 1 . . . 21 LEU C . 17175 1 219 . 1 1 16 16 LEU CA C 13 54.7 0.2 . 1 . . . 21 LEU CA . 17175 1 220 . 1 1 16 16 LEU CB C 13 47.3 0.2 . 1 . . . 21 LEU CB . 17175 1 221 . 1 1 16 16 LEU CD1 C 13 23.6 0.2 . 2 . . . 21 LEU CD1 . 17175 1 222 . 1 1 16 16 LEU CD2 C 13 27.2 0.2 . 2 . . . 21 LEU CD2 . 17175 1 223 . 1 1 16 16 LEU CG C 13 27.2 0.2 . 1 . . . 21 LEU CG . 17175 1 224 . 1 1 16 16 LEU N N 15 115.4 0.2 . 1 . . . 21 LEU N . 17175 1 225 . 1 1 17 17 THR H H 1 9.17 0.02 . 1 . . . 22 THR H . 17175 1 226 . 1 1 17 17 THR HA H 1 4.8 0.02 . 1 . . . 22 THR HA . 17175 1 227 . 1 1 17 17 THR HB H 1 4.15 0.02 . 1 . . . 22 THR HB . 17175 1 228 . 1 1 17 17 THR HG21 H 1 1.35 0.02 . 1 . . . 22 THR HG2 . 17175 1 229 . 1 1 17 17 THR HG22 H 1 1.35 0.02 . 1 . . . 22 THR HG2 . 17175 1 230 . 1 1 17 17 THR HG23 H 1 1.35 0.02 . 1 . . . 22 THR HG2 . 17175 1 231 . 1 1 17 17 THR C C 13 173.2 0.2 . 1 . . . 22 THR C . 17175 1 232 . 1 1 17 17 THR CA C 13 63.1 0.2 . 1 . . . 22 THR CA . 17175 1 233 . 1 1 17 17 THR CB C 13 69.2 0.2 . 1 . . . 22 THR CB . 17175 1 234 . 1 1 17 17 THR CG2 C 13 23.4 0.2 . 1 . . . 22 THR CG2 . 17175 1 235 . 1 1 17 17 THR N N 15 125.9 0.2 . 1 . . . 22 THR N . 17175 1 236 . 1 1 18 18 LEU H H 1 9.6 0.02 . 1 . . . 23 LEU H . 17175 1 237 . 1 1 18 18 LEU HA H 1 4.2 0.02 . 1 . . . 23 LEU HA . 17175 1 238 . 1 1 18 18 LEU HB2 H 1 1.72 0.02 . 2 . . . 23 LEU HB2 . 17175 1 239 . 1 1 18 18 LEU HB3 H 1 1.43 0.02 . 2 . . . 23 LEU HB3 . 17175 1 240 . 1 1 18 18 LEU HD11 H 1 0.74 0.02 . 2 . . . 23 LEU HD1 . 17175 1 241 . 1 1 18 18 LEU HD12 H 1 0.74 0.02 . 2 . . . 23 LEU HD1 . 17175 1 242 . 1 1 18 18 LEU HD13 H 1 0.74 0.02 . 2 . . . 23 LEU HD1 . 17175 1 243 . 1 1 18 18 LEU HD21 H 1 0.73 0.02 . 2 . . . 23 LEU HD2 . 17175 1 244 . 1 1 18 18 LEU HD22 H 1 0.73 0.02 . 2 . . . 23 LEU HD2 . 17175 1 245 . 1 1 18 18 LEU HD23 H 1 0.73 0.02 . 2 . . . 23 LEU HD2 . 17175 1 246 . 1 1 18 18 LEU HG H 1 1.5 0.02 . 1 . . . 23 LEU HG . 17175 1 247 . 1 1 18 18 LEU C C 13 175.6 0.2 . 1 . . . 23 LEU C . 17175 1 248 . 1 1 18 18 LEU CA C 13 56.5 0.2 . 1 . . . 23 LEU CA . 17175 1 249 . 1 1 18 18 LEU CB C 13 43.2 0.2 . 1 . . . 23 LEU CB . 17175 1 250 . 1 1 18 18 LEU CD1 C 13 25.5 0.2 . 2 . . . 23 LEU CD1 . 17175 1 251 . 1 1 18 18 LEU CD2 C 13 23.7 0.2 . 2 . . . 23 LEU CD2 . 17175 1 252 . 1 1 18 18 LEU CG C 13 27.6 0.2 . 1 . . . 23 LEU CG . 17175 1 253 . 1 1 18 18 LEU N N 15 125.8 0.2 . 1 . . . 23 LEU N . 17175 1 254 . 1 1 19 19 SER H H 1 7.46 0.02 . 1 . . . 24 SER H . 17175 1 255 . 1 1 19 19 SER HA H 1 4.55 0.02 . 1 . . . 24 SER HA . 17175 1 256 . 1 1 19 19 SER HB2 H 1 4.29 0.02 . 2 . . . 24 SER HB2 . 17175 1 257 . 1 1 19 19 SER HB3 H 1 3.83 0.02 . 2 . . . 24 SER HB3 . 17175 1 258 . 1 1 19 19 SER C C 13 172 0.2 . 1 . . . 24 SER C . 17175 1 259 . 1 1 19 19 SER CA C 13 57.4 0.2 . 1 . . . 24 SER CA . 17175 1 260 . 1 1 19 19 SER CB C 13 64 0.2 . 1 . . . 24 SER CB . 17175 1 261 . 1 1 19 19 SER N N 15 107.4 0.2 . 1 . . . 24 SER N . 17175 1 262 . 1 1 20 20 GLU H H 1 8.35 0.02 . 1 . . . 25 GLU H . 17175 1 263 . 1 1 20 20 GLU HA H 1 5.1 0.02 . 1 . . . 25 GLU HA . 17175 1 264 . 1 1 20 20 GLU HB2 H 1 1.95 0.02 . 2 . . . 25 GLU HB2 . 17175 1 265 . 1 1 20 20 GLU HB3 H 1 1.89 0.02 . 2 . . . 25 GLU HB3 . 17175 1 266 . 1 1 20 20 GLU HG2 H 1 2.53 0.02 . 2 . . . 25 GLU HG2 . 17175 1 267 . 1 1 20 20 GLU HG3 H 1 2.11 0.02 . 2 . . . 25 GLU HG3 . 17175 1 268 . 1 1 20 20 GLU C C 13 175.3 0.2 . 1 . . . 25 GLU C . 17175 1 269 . 1 1 20 20 GLU CA C 13 54.9 0.2 . 1 . . . 25 GLU CA . 17175 1 270 . 1 1 20 20 GLU CB C 13 32.2 0.2 . 1 . . . 25 GLU CB . 17175 1 271 . 1 1 20 20 GLU CG C 13 33.8 0.2 . 1 . . . 25 GLU CG . 17175 1 272 . 1 1 20 20 GLU N N 15 118.6 0.2 . 1 . . . 25 GLU N . 17175 1 273 . 1 1 21 21 ASN H H 1 8.79 0.02 . 1 . . . 26 ASN H . 17175 1 274 . 1 1 21 21 ASN HA H 1 5.06 0.02 . 1 . . . 26 ASN HA . 17175 1 275 . 1 1 21 21 ASN HB2 H 1 3.54 0.02 . 2 . . . 26 ASN HB2 . 17175 1 276 . 1 1 21 21 ASN HB3 H 1 3.02 0.02 . 2 . . . 26 ASN HB3 . 17175 1 277 . 1 1 21 21 ASN HD21 H 1 7.54 0.02 . 2 . . . 26 ASN HD21 . 17175 1 278 . 1 1 21 21 ASN HD22 H 1 6.94 0.02 . 2 . . . 26 ASN HD22 . 17175 1 279 . 1 1 21 21 ASN C C 13 177.7 0.2 . 1 . . . 26 ASN C . 17175 1 280 . 1 1 21 21 ASN CA C 13 51 0.2 . 1 . . . 26 ASN CA . 17175 1 281 . 1 1 21 21 ASN CB C 13 39.2 0.2 . 1 . . . 26 ASN CB . 17175 1 282 . 1 1 21 21 ASN CG C 13 176.9 0.2 . 1 . . . 26 ASN CG . 17175 1 283 . 1 1 21 21 ASN N N 15 124.1 0.2 . 1 . . . 26 ASN N . 17175 1 284 . 1 1 21 21 ASN ND2 N 15 111.1 0.2 . 1 . . . 26 ASN ND2 . 17175 1 285 . 1 1 22 22 GLU H H 1 9.07 0.02 . 1 . . . 27 GLU H . 17175 1 286 . 1 1 22 22 GLU HA H 1 4.14 0.02 . 1 . . . 27 GLU HA . 17175 1 287 . 1 1 22 22 GLU HB2 H 1 2.09 0.02 . 2 . . . 27 GLU HB2 . 17175 1 288 . 1 1 22 22 GLU HB3 H 1 2.09 0.02 . 2 . . . 27 GLU HB3 . 17175 1 289 . 1 1 22 22 GLU HG2 H 1 2.42 0.02 . 2 . . . 27 GLU HG2 . 17175 1 290 . 1 1 22 22 GLU HG3 H 1 2.42 0.02 . 2 . . . 27 GLU HG3 . 17175 1 291 . 1 1 22 22 GLU C C 13 177.3 0.2 . 1 . . . 27 GLU C . 17175 1 292 . 1 1 22 22 GLU CA C 13 59.1 0.2 . 1 . . . 27 GLU CA . 17175 1 293 . 1 1 22 22 GLU CB C 13 28.7 0.2 . 1 . . . 27 GLU CB . 17175 1 294 . 1 1 22 22 GLU CG C 13 35.7 0.2 . 1 . . . 27 GLU CG . 17175 1 295 . 1 1 22 22 GLU N N 15 118.6 0.2 . 1 . . . 27 GLU N . 17175 1 296 . 1 1 23 23 LYS H H 1 7.74 0.02 . 1 . . . 28 LYS H . 17175 1 297 . 1 1 23 23 LYS HA H 1 4.46 0.02 . 1 . . . 28 LYS HA . 17175 1 298 . 1 1 23 23 LYS HB2 H 1 2.39 0.02 . 2 . . . 28 LYS HB2 . 17175 1 299 . 1 1 23 23 LYS HB3 H 1 2.1 0.02 . 2 . . . 28 LYS HB3 . 17175 1 300 . 1 1 23 23 LYS C C 13 176.2 0.2 . 1 . . . 28 LYS C . 17175 1 301 . 1 1 23 23 LYS CA C 13 56.3 0.2 . 1 . . . 28 LYS CA . 17175 1 302 . 1 1 23 23 LYS CB C 13 29.6 0.2 . 1 . . . 28 LYS CB . 17175 1 303 . 1 1 23 23 LYS N N 15 117.1 0.2 . 1 . . . 28 LYS N . 17175 1 304 . 1 1 24 24 GLY H H 1 8.23 0.02 . 1 . . . 29 GLY H . 17175 1 305 . 1 1 24 24 GLY HA2 H 1 4.3 0.02 . 2 . . . 29 GLY HA2 . 17175 1 306 . 1 1 24 24 GLY HA3 H 1 3.88 0.02 . 2 . . . 29 GLY HA3 . 17175 1 307 . 1 1 24 24 GLY C C 13 174.8 0.2 . 1 . . . 29 GLY C . 17175 1 308 . 1 1 24 24 GLY CA C 13 45.4 0.2 . 1 . . . 29 GLY CA . 17175 1 309 . 1 1 24 24 GLY N N 15 107.8 0.2 . 1 . . . 29 GLY N . 17175 1 310 . 1 1 25 25 TRP H H 1 8.16 0.02 . 1 . . . 30 TRP H . 17175 1 311 . 1 1 25 25 TRP HA H 1 4.8 0.02 . 1 . . . 30 TRP HA . 17175 1 312 . 1 1 25 25 TRP HB2 H 1 3.07 0.02 . 2 . . . 30 TRP HB2 . 17175 1 313 . 1 1 25 25 TRP HB3 H 1 2.95 0.02 . 2 . . . 30 TRP HB3 . 17175 1 314 . 1 1 25 25 TRP HD1 H 1 7.16 0.02 . 1 . . . 30 TRP HD1 . 17175 1 315 . 1 1 25 25 TRP HE1 H 1 10.4 0.02 . 1 . . . 30 TRP HE1 . 17175 1 316 . 1 1 25 25 TRP HH2 H 1 6.83 0.02 . 1 . . . 30 TRP HH2 . 17175 1 317 . 1 1 25 25 TRP HZ2 H 1 7.38 0.02 . 1 . . . 30 TRP HZ2 . 17175 1 318 . 1 1 25 25 TRP HZ3 H 1 6.48 0.02 . 1 . . . 30 TRP HZ3 . 17175 1 319 . 1 1 25 25 TRP C C 13 177.6 0.2 . 1 . . . 30 TRP C . 17175 1 320 . 1 1 25 25 TRP CA C 13 58.5 0.2 . 1 . . . 30 TRP CA . 17175 1 321 . 1 1 25 25 TRP CB C 13 28.1 0.2 . 1 . . . 30 TRP CB . 17175 1 322 . 1 1 25 25 TRP CD1 C 13 125.3 0.2 . 1 . . . 30 TRP CD1 . 17175 1 323 . 1 1 25 25 TRP CH2 C 13 124.3 0.2 . 1 . . . 30 TRP CH2 . 17175 1 324 . 1 1 25 25 TRP CZ2 C 13 114.5 0.2 . 1 . . . 30 TRP CZ2 . 17175 1 325 . 1 1 25 25 TRP N N 15 120.8 0.2 . 1 . . . 30 TRP N . 17175 1 326 . 1 1 25 25 TRP NE1 N 15 129.9 0.2 . 1 . . . 30 TRP NE1 . 17175 1 327 . 1 1 26 26 THR H H 1 9.14 0.02 . 1 . . . 31 THR H . 17175 1 328 . 1 1 26 26 THR HA H 1 5.46 0.02 . 1 . . . 31 THR HA . 17175 1 329 . 1 1 26 26 THR HB H 1 4.41 0.02 . 1 . . . 31 THR HB . 17175 1 330 . 1 1 26 26 THR HG21 H 1 1.26 0.02 . 1 . . . 31 THR HG2 . 17175 1 331 . 1 1 26 26 THR HG22 H 1 1.26 0.02 . 1 . . . 31 THR HG2 . 17175 1 332 . 1 1 26 26 THR HG23 H 1 1.26 0.02 . 1 . . . 31 THR HG2 . 17175 1 333 . 1 1 26 26 THR C C 13 175.6 0.2 . 1 . . . 31 THR C . 17175 1 334 . 1 1 26 26 THR CA C 13 58.6 0.2 . 1 . . . 31 THR CA . 17175 1 335 . 1 1 26 26 THR CB C 13 70.6 0.2 . 1 . . . 31 THR CB . 17175 1 336 . 1 1 26 26 THR CG2 C 13 23.1 0.2 . 1 . . . 31 THR CG2 . 17175 1 337 . 1 1 26 26 THR N N 15 112.9 0.2 . 1 . . . 31 THR N . 17175 1 338 . 1 1 27 27 LYS H H 1 8.09 0.02 . 1 . . . 32 LYS H . 17175 1 339 . 1 1 27 27 LYS HA H 1 5.3 0.02 . 1 . . . 32 LYS HA . 17175 1 340 . 1 1 27 27 LYS HB2 H 1 1.84 0.02 . 2 . . . 32 LYS HB2 . 17175 1 341 . 1 1 27 27 LYS HB3 H 1 1.54 0.02 . 2 . . . 32 LYS HB3 . 17175 1 342 . 1 1 27 27 LYS HD2 H 1 1.54 0.02 . 2 . . . 32 LYS HD2 . 17175 1 343 . 1 1 27 27 LYS HD3 H 1 1.54 0.02 . 2 . . . 32 LYS HD3 . 17175 1 344 . 1 1 27 27 LYS HE2 H 1 3.11 0.02 . 2 . . . 32 LYS HE2 . 17175 1 345 . 1 1 27 27 LYS HE3 H 1 3.11 0.02 . 2 . . . 32 LYS HE3 . 17175 1 346 . 1 1 27 27 LYS HG2 H 1 1.57 0.02 . 2 . . . 32 LYS HG2 . 17175 1 347 . 1 1 27 27 LYS HG3 H 1 1.24 0.02 . 2 . . . 32 LYS HG3 . 17175 1 348 . 1 1 27 27 LYS C C 13 176.5 0.2 . 1 . . . 32 LYS C . 17175 1 349 . 1 1 27 27 LYS CA C 13 56.6 0.2 . 1 . . . 32 LYS CA . 17175 1 350 . 1 1 27 27 LYS CB C 13 34.8 0.2 . 1 . . . 32 LYS CB . 17175 1 351 . 1 1 27 27 LYS CD C 13 29.6 0.2 . 1 . . . 32 LYS CD . 17175 1 352 . 1 1 27 27 LYS CE C 13 41.8 0.2 . 1 . . . 32 LYS CE . 17175 1 353 . 1 1 27 27 LYS CG C 13 26.4 0.2 . 1 . . . 32 LYS CG . 17175 1 354 . 1 1 27 27 LYS N N 15 120.6 0.2 . 1 . . . 32 LYS N . 17175 1 355 . 1 1 28 28 GLU H H 1 9.34 0.02 . 1 . . . 33 GLU H . 17175 1 356 . 1 1 28 28 GLU HA H 1 5.49 0.02 . 1 . . . 33 GLU HA . 17175 1 357 . 1 1 28 28 GLU HB2 H 1 2.12 0.02 . 2 . . . 33 GLU HB2 . 17175 1 358 . 1 1 28 28 GLU HB3 H 1 2.12 0.02 . 2 . . . 33 GLU HB3 . 17175 1 359 . 1 1 28 28 GLU C C 13 175.1 0.2 . 1 . . . 33 GLU C . 17175 1 360 . 1 1 28 28 GLU CA C 13 54.7 0.2 . 1 . . . 33 GLU CA . 17175 1 361 . 1 1 28 28 GLU CB C 13 35.3 0.2 . 1 . . . 33 GLU CB . 17175 1 362 . 1 1 28 28 GLU N N 15 122.2 0.2 . 1 . . . 33 GLU N . 17175 1 363 . 1 1 29 29 ILE H H 1 9.01 0.02 . 1 . . . 34 ILE H . 17175 1 364 . 1 1 29 29 ILE HA H 1 5.28 0.02 . 1 . . . 34 ILE HA . 17175 1 365 . 1 1 29 29 ILE HB H 1 1.82 0.02 . 1 . . . 34 ILE HB . 17175 1 366 . 1 1 29 29 ILE HD11 H 1 1.05 0.02 . 1 . . . 34 ILE HD1 . 17175 1 367 . 1 1 29 29 ILE HD12 H 1 1.05 0.02 . 1 . . . 34 ILE HD1 . 17175 1 368 . 1 1 29 29 ILE HD13 H 1 1.05 0.02 . 1 . . . 34 ILE HD1 . 17175 1 369 . 1 1 29 29 ILE HG12 H 1 1.73 0.02 . 2 . . . 34 ILE HG12 . 17175 1 370 . 1 1 29 29 ILE HG13 H 1 1.25 0.02 . 2 . . . 34 ILE HG13 . 17175 1 371 . 1 1 29 29 ILE HG21 H 1 1.01 0.02 . 1 . . . 34 ILE HG2 . 17175 1 372 . 1 1 29 29 ILE HG22 H 1 1.01 0.02 . 1 . . . 34 ILE HG2 . 17175 1 373 . 1 1 29 29 ILE HG23 H 1 1.01 0.02 . 1 . . . 34 ILE HG2 . 17175 1 374 . 1 1 29 29 ILE C C 13 174.4 0.2 . 1 . . . 34 ILE C . 17175 1 375 . 1 1 29 29 ILE CA C 13 61.4 0.2 . 1 . . . 34 ILE CA . 17175 1 376 . 1 1 29 29 ILE CB C 13 38.3 0.2 . 1 . . . 34 ILE CB . 17175 1 377 . 1 1 29 29 ILE CD1 C 13 14.4 0.2 . 1 . . . 34 ILE CD1 . 17175 1 378 . 1 1 29 29 ILE CG1 C 13 27.3 0.2 . 1 . . . 34 ILE CG1 . 17175 1 379 . 1 1 29 29 ILE CG2 C 13 17.3 0.2 . 1 . . . 34 ILE CG2 . 17175 1 380 . 1 1 29 29 ILE N N 15 117.5 0.2 . 1 . . . 34 ILE N . 17175 1 381 . 1 1 30 30 ASN H H 1 9.25 0.02 . 1 . . . 35 ASN H . 17175 1 382 . 1 1 30 30 ASN HA H 1 5.51 0.02 . 1 . . . 35 ASN HA . 17175 1 383 . 1 1 30 30 ASN HB2 H 1 2.78 0.02 . 2 . . . 35 ASN HB2 . 17175 1 384 . 1 1 30 30 ASN HB3 H 1 2.65 0.02 . 2 . . . 35 ASN HB3 . 17175 1 385 . 1 1 30 30 ASN HD21 H 1 7.56 0.02 . 2 . . . 35 ASN HD21 . 17175 1 386 . 1 1 30 30 ASN HD22 H 1 6.96 0.02 . 2 . . . 35 ASN HD22 . 17175 1 387 . 1 1 30 30 ASN C C 13 174.1 0.2 . 1 . . . 35 ASN C . 17175 1 388 . 1 1 30 30 ASN CA C 13 51.8 0.2 . 1 . . . 35 ASN CA . 17175 1 389 . 1 1 30 30 ASN CB C 13 44.9 0.2 . 1 . . . 35 ASN CB . 17175 1 390 . 1 1 30 30 ASN CG C 13 177.1 0.2 . 1 . . . 35 ASN CG . 17175 1 391 . 1 1 30 30 ASN N N 15 124.9 0.2 . 1 . . . 35 ASN N . 17175 1 392 . 1 1 30 30 ASN ND2 N 15 111.9 0.2 . 1 . . . 35 ASN ND2 . 17175 1 393 . 1 1 31 31 ARG H H 1 9.01 0.02 . 1 . . . 36 ARG H . 17175 1 394 . 1 1 31 31 ARG HA H 1 4.86 0.02 . 1 . . . 36 ARG HA . 17175 1 395 . 1 1 31 31 ARG HB2 H 1 1.32 0.02 . 2 . . . 36 ARG HB2 . 17175 1 396 . 1 1 31 31 ARG HB3 H 1 1.12 0.02 . 2 . . . 36 ARG HB3 . 17175 1 397 . 1 1 31 31 ARG HD2 H 1 2.69 0.02 . 2 . . . 36 ARG HD2 . 17175 1 398 . 1 1 31 31 ARG HD3 H 1 2.53 0.02 . 2 . . . 36 ARG HD3 . 17175 1 399 . 1 1 31 31 ARG HE H 1 6.88 0.02 . 1 . . . 36 ARG HE . 17175 1 400 . 1 1 31 31 ARG HG2 H 1 0.97 0.02 . 2 . . . 36 ARG HG2 . 17175 1 401 . 1 1 31 31 ARG HG3 H 1 0.36 0.02 . 2 . . . 36 ARG HG3 . 17175 1 402 . 1 1 31 31 ARG HH21 H 1 6.39 0.02 . 2 . . . 36 ARG HH21 . 17175 1 403 . 1 1 31 31 ARG C C 13 175.9 0.2 . 1 . . . 36 ARG C . 17175 1 404 . 1 1 31 31 ARG CA C 13 55.8 0.2 . 1 . . . 36 ARG CA . 17175 1 405 . 1 1 31 31 ARG CB C 13 30.8 0.2 . 1 . . . 36 ARG CB . 17175 1 406 . 1 1 31 31 ARG CD C 13 42.4 0.2 . 1 . . . 36 ARG CD . 17175 1 407 . 1 1 31 31 ARG CG C 13 28.2 0.2 . 1 . . . 36 ARG CG . 17175 1 408 . 1 1 31 31 ARG N N 15 118 0.2 . 1 . . . 36 ARG N . 17175 1 409 . 1 1 31 31 ARG NE N 15 82.8 0.2 . 1 . . . 36 ARG NE . 17175 1 410 . 1 1 32 32 VAL H H 1 9.09 0.02 . 1 . . . 37 VAL H . 17175 1 411 . 1 1 32 32 VAL HA H 1 4.52 0.02 . 1 . . . 37 VAL HA . 17175 1 412 . 1 1 32 32 VAL HB H 1 1.6 0.02 . 1 . . . 37 VAL HB . 17175 1 413 . 1 1 32 32 VAL HG11 H 1 0.1 0.02 . 2 . . . 37 VAL HG1 . 17175 1 414 . 1 1 32 32 VAL HG12 H 1 0.1 0.02 . 2 . . . 37 VAL HG1 . 17175 1 415 . 1 1 32 32 VAL HG13 H 1 0.1 0.02 . 2 . . . 37 VAL HG1 . 17175 1 416 . 1 1 32 32 VAL HG21 H 1 1 0.02 . 2 . . . 37 VAL HG2 . 17175 1 417 . 1 1 32 32 VAL HG22 H 1 1 0.02 . 2 . . . 37 VAL HG2 . 17175 1 418 . 1 1 32 32 VAL HG23 H 1 1 0.02 . 2 . . . 37 VAL HG2 . 17175 1 419 . 1 1 32 32 VAL C C 13 175 0.2 . 1 . . . 37 VAL C . 17175 1 420 . 1 1 32 32 VAL CA C 13 60.8 0.2 . 1 . . . 37 VAL CA . 17175 1 421 . 1 1 32 32 VAL CB C 13 36.4 0.2 . 1 . . . 37 VAL CB . 17175 1 422 . 1 1 32 32 VAL CG1 C 13 21 0.2 . 2 . . . 37 VAL CG1 . 17175 1 423 . 1 1 32 32 VAL CG2 C 13 23.7 0.2 . 2 . . . 37 VAL CG2 . 17175 1 424 . 1 1 32 32 VAL N N 15 125 0.2 . 1 . . . 37 VAL N . 17175 1 425 . 1 1 33 33 SER H H 1 8.85 0.02 . 1 . . . 38 SER H . 17175 1 426 . 1 1 33 33 SER HA H 1 4.58 0.02 . 1 . . . 38 SER HA . 17175 1 427 . 1 1 33 33 SER HB2 H 1 3.67 0.02 . 2 . . . 38 SER HB2 . 17175 1 428 . 1 1 33 33 SER HB3 H 1 3.57 0.02 . 2 . . . 38 SER HB3 . 17175 1 429 . 1 1 33 33 SER C C 13 174.3 0.2 . 1 . . . 38 SER C . 17175 1 430 . 1 1 33 33 SER CA C 13 56.3 0.2 . 1 . . . 38 SER CA . 17175 1 431 . 1 1 33 33 SER CB C 13 64 0.2 . 1 . . . 38 SER CB . 17175 1 432 . 1 1 33 33 SER N N 15 122 0.2 . 1 . . . 38 SER N . 17175 1 433 . 1 1 34 34 PHE H H 1 8.78 0.02 . 1 . . . 39 PHE H . 17175 1 434 . 1 1 34 34 PHE HA H 1 5.16 0.02 . 1 . . . 39 PHE HA . 17175 1 435 . 1 1 34 34 PHE HB2 H 1 3.02 0.02 . 2 . . . 39 PHE HB2 . 17175 1 436 . 1 1 34 34 PHE HB3 H 1 2.85 0.02 . 2 . . . 39 PHE HB3 . 17175 1 437 . 1 1 34 34 PHE HD1 H 1 7.26 0.02 . 3 . . . 39 PHE HD1 . 17175 1 438 . 1 1 34 34 PHE HD2 H 1 7.26 0.02 . 3 . . . 39 PHE HD2 . 17175 1 439 . 1 1 34 34 PHE HE1 H 1 7.46 0.02 . 3 . . . 39 PHE HE1 . 17175 1 440 . 1 1 34 34 PHE HE2 H 1 7.46 0.02 . 3 . . . 39 PHE HE2 . 17175 1 441 . 1 1 34 34 PHE HZ H 1 7.14 0.02 . 1 . . . 39 PHE HZ . 17175 1 442 . 1 1 34 34 PHE C C 13 176.5 0.2 . 1 . . . 39 PHE C . 17175 1 443 . 1 1 34 34 PHE CA C 13 57.4 0.2 . 1 . . . 39 PHE CA . 17175 1 444 . 1 1 34 34 PHE CB C 13 40.2 0.2 . 1 . . . 39 PHE CB . 17175 1 445 . 1 1 34 34 PHE CD1 C 13 132.2 0.2 . 3 . . . 39 PHE CD1 . 17175 1 446 . 1 1 34 34 PHE CD2 C 13 132.2 0.2 . 3 . . . 39 PHE CD2 . 17175 1 447 . 1 1 34 34 PHE CE1 C 13 131.7 0.2 . 3 . . . 39 PHE CE1 . 17175 1 448 . 1 1 34 34 PHE CE2 C 13 131.7 0.2 . 3 . . . 39 PHE CE2 . 17175 1 449 . 1 1 34 34 PHE CZ C 13 129.8 0.2 . 1 . . . 39 PHE CZ . 17175 1 450 . 1 1 34 34 PHE N N 15 129.6 0.2 . 1 . . . 39 PHE N . 17175 1 451 . 1 1 35 35 ASN H H 1 9.41 0.02 . 1 . . . 40 ASN H . 17175 1 452 . 1 1 35 35 ASN HA H 1 4.42 0.02 . 1 . . . 40 ASN HA . 17175 1 453 . 1 1 35 35 ASN HB2 H 1 3.08 0.02 . 2 . . . 40 ASN HB2 . 17175 1 454 . 1 1 35 35 ASN HB3 H 1 2.75 0.02 . 2 . . . 40 ASN HB3 . 17175 1 455 . 1 1 35 35 ASN HD21 H 1 7.63 0.02 . 2 . . . 40 ASN HD21 . 17175 1 456 . 1 1 35 35 ASN HD22 H 1 6.71 0.02 . 2 . . . 40 ASN HD22 . 17175 1 457 . 1 1 35 35 ASN C C 13 175.3 0.2 . 1 . . . 40 ASN C . 17175 1 458 . 1 1 35 35 ASN CA C 13 54.1 0.2 . 1 . . . 40 ASN CA . 17175 1 459 . 1 1 35 35 ASN CB C 13 37.6 0.2 . 1 . . . 40 ASN CB . 17175 1 460 . 1 1 35 35 ASN CG C 13 177.6 0.2 . 1 . . . 40 ASN CG . 17175 1 461 . 1 1 35 35 ASN N N 15 123.8 0.2 . 1 . . . 40 ASN N . 17175 1 462 . 1 1 35 35 ASN ND2 N 15 112.7 0.2 . 1 . . . 40 ASN ND2 . 17175 1 463 . 1 1 36 36 GLY H H 1 8.77 0.02 . 1 . . . 41 GLY H . 17175 1 464 . 1 1 36 36 GLY HA2 H 1 3.92 0.02 . 2 . . . 41 GLY HA2 . 17175 1 465 . 1 1 36 36 GLY HA3 H 1 3.5 0.02 . 2 . . . 41 GLY HA3 . 17175 1 466 . 1 1 36 36 GLY C C 13 173.8 0.2 . 1 . . . 41 GLY C . 17175 1 467 . 1 1 36 36 GLY CA C 13 45.4 0.2 . 1 . . . 41 GLY CA . 17175 1 468 . 1 1 36 36 GLY N N 15 105.1 0.2 . 1 . . . 41 GLY N . 17175 1 469 . 1 1 37 37 ALA H H 1 7.59 0.02 . 1 . . . 42 ALA H . 17175 1 470 . 1 1 37 37 ALA HA H 1 4.56 0.02 . 1 . . . 42 ALA HA . 17175 1 471 . 1 1 37 37 ALA HB1 H 1 1.59 0.02 . 1 . . . 42 ALA HB . 17175 1 472 . 1 1 37 37 ALA HB2 H 1 1.59 0.02 . 1 . . . 42 ALA HB . 17175 1 473 . 1 1 37 37 ALA HB3 H 1 1.59 0.02 . 1 . . . 42 ALA HB . 17175 1 474 . 1 1 37 37 ALA CA C 13 51 0.2 . 1 . . . 42 ALA CA . 17175 1 475 . 1 1 37 37 ALA CB C 13 17.6 0.2 . 1 . . . 42 ALA CB . 17175 1 476 . 1 1 37 37 ALA N N 15 123.8 0.2 . 1 . . . 42 ALA N . 17175 1 477 . 1 1 38 38 PRO HA H 1 4.26 0.02 . 1 . . . 43 PRO HA . 17175 1 478 . 1 1 38 38 PRO HB2 H 1 2.31 0.02 . 2 . . . 43 PRO HB2 . 17175 1 479 . 1 1 38 38 PRO HB3 H 1 1.74 0.02 . 2 . . . 43 PRO HB3 . 17175 1 480 . 1 1 38 38 PRO HD2 H 1 3.85 0.02 . 2 . . . 43 PRO HD2 . 17175 1 481 . 1 1 38 38 PRO HD3 H 1 3.59 0.02 . 2 . . . 43 PRO HD3 . 17175 1 482 . 1 1 38 38 PRO HG2 H 1 2.13 0.02 . 2 . . . 43 PRO HG2 . 17175 1 483 . 1 1 38 38 PRO HG3 H 1 1.99 0.02 . 2 . . . 43 PRO HG3 . 17175 1 484 . 1 1 38 38 PRO C C 13 177.3 0.2 . 1 . . . 43 PRO C . 17175 1 485 . 1 1 38 38 PRO CA C 13 63.6 0.2 . 1 . . . 43 PRO CA . 17175 1 486 . 1 1 38 38 PRO CB C 13 31.6 0.2 . 1 . . . 43 PRO CB . 17175 1 487 . 1 1 38 38 PRO CD C 13 50.3 0.2 . 1 . . . 43 PRO CD . 17175 1 488 . 1 1 38 38 PRO CG C 13 28.2 0.2 . 1 . . . 43 PRO CG . 17175 1 489 . 1 1 39 39 ALA H H 1 8.76 0.02 . 1 . . . 44 ALA H . 17175 1 490 . 1 1 39 39 ALA HA H 1 3.93 0.02 . 1 . . . 44 ALA HA . 17175 1 491 . 1 1 39 39 ALA HB1 H 1 0.95 0.02 . 1 . . . 44 ALA HB . 17175 1 492 . 1 1 39 39 ALA HB2 H 1 0.95 0.02 . 1 . . . 44 ALA HB . 17175 1 493 . 1 1 39 39 ALA HB3 H 1 0.95 0.02 . 1 . . . 44 ALA HB . 17175 1 494 . 1 1 39 39 ALA C C 13 176.7 0.2 . 1 . . . 44 ALA C . 17175 1 495 . 1 1 39 39 ALA CA C 13 52.7 0.2 . 1 . . . 44 ALA CA . 17175 1 496 . 1 1 39 39 ALA CB C 13 18.9 0.2 . 1 . . . 44 ALA CB . 17175 1 497 . 1 1 39 39 ALA N N 15 126 0.2 . 1 . . . 44 ALA N . 17175 1 498 . 1 1 40 40 LYS H H 1 7.97 0.02 . 1 . . . 45 LYS H . 17175 1 499 . 1 1 40 40 LYS HA H 1 4.8 0.02 . 1 . . . 45 LYS HA . 17175 1 500 . 1 1 40 40 LYS HB2 H 1 2.23 0.02 . 2 . . . 45 LYS HB2 . 17175 1 501 . 1 1 40 40 LYS HB3 H 1 1.54 0.02 . 2 . . . 45 LYS HB3 . 17175 1 502 . 1 1 40 40 LYS HD2 H 1 1.68 0.02 . 2 . . . 45 LYS HD2 . 17175 1 503 . 1 1 40 40 LYS HD3 H 1 1.68 0.02 . 2 . . . 45 LYS HD3 . 17175 1 504 . 1 1 40 40 LYS HE2 H 1 2.99 0.02 . 2 . . . 45 LYS HE2 . 17175 1 505 . 1 1 40 40 LYS HE3 H 1 2.99 0.02 . 2 . . . 45 LYS HE3 . 17175 1 506 . 1 1 40 40 LYS HG2 H 1 1.66 0.02 . 2 . . . 45 LYS HG2 . 17175 1 507 . 1 1 40 40 LYS HG3 H 1 1.49 0.02 . 2 . . . 45 LYS HG3 . 17175 1 508 . 1 1 40 40 LYS C C 13 176.8 0.2 . 1 . . . 45 LYS C . 17175 1 509 . 1 1 40 40 LYS CA C 13 54.2 0.2 . 1 . . . 45 LYS CA . 17175 1 510 . 1 1 40 40 LYS CB C 13 37.7 0.2 . 1 . . . 45 LYS CB . 17175 1 511 . 1 1 40 40 LYS CD C 13 29.8 0.2 . 1 . . . 45 LYS CD . 17175 1 512 . 1 1 40 40 LYS CE C 13 42.4 0.2 . 1 . . . 45 LYS CE . 17175 1 513 . 1 1 40 40 LYS CG C 13 25.5 0.2 . 1 . . . 45 LYS CG . 17175 1 514 . 1 1 40 40 LYS N N 15 120.1 0.2 . 1 . . . 45 LYS N . 17175 1 515 . 1 1 41 41 PHE H H 1 8.63 0.02 . 1 . . . 46 PHE H . 17175 1 516 . 1 1 41 41 PHE HA H 1 4.51 0.02 . 1 . . . 46 PHE HA . 17175 1 517 . 1 1 41 41 PHE HB2 H 1 2.85 0.02 . 2 . . . 46 PHE HB2 . 17175 1 518 . 1 1 41 41 PHE HB3 H 1 2.34 0.02 . 2 . . . 46 PHE HB3 . 17175 1 519 . 1 1 41 41 PHE HD1 H 1 6.53 0.02 . 3 . . . 46 PHE HD1 . 17175 1 520 . 1 1 41 41 PHE HD2 H 1 6.53 0.02 . 3 . . . 46 PHE HD2 . 17175 1 521 . 1 1 41 41 PHE C C 13 175.6 0.2 . 1 . . . 46 PHE C . 17175 1 522 . 1 1 41 41 PHE CA C 13 60.6 0.2 . 1 . . . 46 PHE CA . 17175 1 523 . 1 1 41 41 PHE CB C 13 40.6 0.2 . 1 . . . 46 PHE CB . 17175 1 524 . 1 1 41 41 PHE CD1 C 13 130.8 0.2 . 3 . . . 46 PHE CD1 . 17175 1 525 . 1 1 41 41 PHE CD2 C 13 130.8 0.2 . 3 . . . 46 PHE CD2 . 17175 1 526 . 1 1 41 41 PHE N N 15 120.4 0.2 . 1 . . . 46 PHE N . 17175 1 527 . 1 1 42 42 ASP H H 1 9.07 0.02 . 1 . . . 47 ASP H . 17175 1 528 . 1 1 42 42 ASP HA H 1 5.6 0.02 . 1 . . . 47 ASP HA . 17175 1 529 . 1 1 42 42 ASP HB2 H 1 2.75 0.02 . 2 . . . 47 ASP HB2 . 17175 1 530 . 1 1 42 42 ASP HB3 H 1 2.56 0.02 . 2 . . . 47 ASP HB3 . 17175 1 531 . 1 1 42 42 ASP C C 13 175.1 0.2 . 1 . . . 47 ASP C . 17175 1 532 . 1 1 42 42 ASP CA C 13 55.3 0.2 . 1 . . . 47 ASP CA . 17175 1 533 . 1 1 42 42 ASP CB C 13 47.6 0.2 . 1 . . . 47 ASP CB . 17175 1 534 . 1 1 42 42 ASP N N 15 124 0.2 . 1 . . . 47 ASP N . 17175 1 535 . 1 1 43 43 ILE H H 1 9.16 0.02 . 1 . . . 48 ILE H . 17175 1 536 . 1 1 43 43 ILE HA H 1 5.53 0.02 . 1 . . . 48 ILE HA . 17175 1 537 . 1 1 43 43 ILE HB H 1 2.02 0.02 . 1 . . . 48 ILE HB . 17175 1 538 . 1 1 43 43 ILE HD11 H 1 0.89 0.02 . 1 . . . 48 ILE HD1 . 17175 1 539 . 1 1 43 43 ILE HD12 H 1 0.89 0.02 . 1 . . . 48 ILE HD1 . 17175 1 540 . 1 1 43 43 ILE HD13 H 1 0.89 0.02 . 1 . . . 48 ILE HD1 . 17175 1 541 . 1 1 43 43 ILE HG12 H 1 1.77 0.02 . 2 . . . 48 ILE HG12 . 17175 1 542 . 1 1 43 43 ILE HG13 H 1 1.16 0.02 . 2 . . . 48 ILE HG13 . 17175 1 543 . 1 1 43 43 ILE HG21 H 1 0.84 0.02 . 1 . . . 48 ILE HG2 . 17175 1 544 . 1 1 43 43 ILE HG22 H 1 0.84 0.02 . 1 . . . 48 ILE HG2 . 17175 1 545 . 1 1 43 43 ILE HG23 H 1 0.84 0.02 . 1 . . . 48 ILE HG2 . 17175 1 546 . 1 1 43 43 ILE C C 13 174.5 0.2 . 1 . . . 48 ILE C . 17175 1 547 . 1 1 43 43 ILE CA C 13 60.7 0.2 . 1 . . . 48 ILE CA . 17175 1 548 . 1 1 43 43 ILE CB C 13 38.9 0.2 . 1 . . . 48 ILE CB . 17175 1 549 . 1 1 43 43 ILE CD1 C 13 13.9 0.2 . 1 . . . 48 ILE CD1 . 17175 1 550 . 1 1 43 43 ILE CG1 C 13 26.9 0.2 . 1 . . . 48 ILE CG1 . 17175 1 551 . 1 1 43 43 ILE CG2 C 13 16.9 0.2 . 1 . . . 48 ILE CG2 . 17175 1 552 . 1 1 43 43 ILE N N 15 128.3 0.2 . 1 . . . 48 ILE N . 17175 1 553 . 1 1 44 44 ARG H H 1 8.71 0.02 . 1 . . . 49 ARG H . 17175 1 554 . 1 1 44 44 ARG HA H 1 4.81 0.02 . 1 . . . 49 ARG HA . 17175 1 555 . 1 1 44 44 ARG HB2 H 1 1.82 0.02 . 2 . . . 49 ARG HB2 . 17175 1 556 . 1 1 44 44 ARG HB3 H 1 1.66 0.02 . 2 . . . 49 ARG HB3 . 17175 1 557 . 1 1 44 44 ARG C C 13 173.5 0.2 . 1 . . . 49 ARG C . 17175 1 558 . 1 1 44 44 ARG CA C 13 55.9 0.2 . 1 . . . 49 ARG CA . 17175 1 559 . 1 1 44 44 ARG CB C 13 34 0.2 . 1 . . . 49 ARG CB . 17175 1 560 . 1 1 44 44 ARG N N 15 124.6 0.2 . 1 . . . 49 ARG N . 17175 1 561 . 1 1 45 45 ALA H H 1 7.53 0.02 . 1 . . . 50 ALA H . 17175 1 562 . 1 1 45 45 ALA HA H 1 5.88 0.02 . 1 . . . 50 ALA HA . 17175 1 563 . 1 1 45 45 ALA HB1 H 1 1.53 0.02 . 1 . . . 50 ALA HB . 17175 1 564 . 1 1 45 45 ALA HB2 H 1 1.53 0.02 . 1 . . . 50 ALA HB . 17175 1 565 . 1 1 45 45 ALA HB3 H 1 1.53 0.02 . 1 . . . 50 ALA HB . 17175 1 566 . 1 1 45 45 ALA C C 13 176.2 0.2 . 1 . . . 50 ALA C . 17175 1 567 . 1 1 45 45 ALA CA C 13 50.8 0.2 . 1 . . . 50 ALA CA . 17175 1 568 . 1 1 45 45 ALA CB C 13 21.4 0.2 . 1 . . . 50 ALA CB . 17175 1 569 . 1 1 45 45 ALA N N 15 124.4 0.2 . 1 . . . 50 ALA N . 17175 1 570 . 1 1 46 46 TRP H H 1 9.23 0.02 . 1 . . . 51 TRP H . 17175 1 571 . 1 1 46 46 TRP HA H 1 4.64 0.02 . 1 . . . 51 TRP HA . 17175 1 572 . 1 1 46 46 TRP HB2 H 1 2.8 0.02 . 2 . . . 51 TRP HB2 . 17175 1 573 . 1 1 46 46 TRP HB3 H 1 2.66 0.02 . 2 . . . 51 TRP HB3 . 17175 1 574 . 1 1 46 46 TRP HD1 H 1 7.07 0.02 . 1 . . . 51 TRP HD1 . 17175 1 575 . 1 1 46 46 TRP HE1 H 1 10.54 0.02 . 1 . . . 51 TRP HE1 . 17175 1 576 . 1 1 46 46 TRP HZ2 H 1 7.23 0.02 . 1 . . . 51 TRP HZ2 . 17175 1 577 . 1 1 46 46 TRP C C 13 174.4 0.2 . 1 . . . 51 TRP C . 17175 1 578 . 1 1 46 46 TRP CA C 13 56.3 0.2 . 1 . . . 51 TRP CA . 17175 1 579 . 1 1 46 46 TRP CB C 13 34.4 0.2 . 1 . . . 51 TRP CB . 17175 1 580 . 1 1 46 46 TRP CD1 C 13 126.9 0.2 . 1 . . . 51 TRP CD1 . 17175 1 581 . 1 1 46 46 TRP CZ2 C 13 112.9 0.2 . 1 . . . 51 TRP CZ2 . 17175 1 582 . 1 1 46 46 TRP N N 15 120.8 0.2 . 1 . . . 51 TRP N . 17175 1 583 . 1 1 46 46 TRP NE1 N 15 129.1 0.2 . 1 . . . 51 TRP NE1 . 17175 1 584 . 1 1 47 47 SER H H 1 7.42 0.02 . 1 . . . 52 SER H . 17175 1 585 . 1 1 47 47 SER HA H 1 4.8 0.02 . 1 . . . 52 SER HA . 17175 1 586 . 1 1 47 47 SER HB2 H 1 3.76 0.02 . 2 . . . 52 SER HB2 . 17175 1 587 . 1 1 47 47 SER HB3 H 1 2.7 0.02 . 2 . . . 52 SER HB3 . 17175 1 588 . 1 1 47 47 SER CA C 13 56.4 0.2 . 1 . . . 52 SER CA . 17175 1 589 . 1 1 47 47 SER CB C 13 61.1 0.2 . 1 . . . 52 SER CB . 17175 1 590 . 1 1 47 47 SER N N 15 116.2 0.2 . 1 . . . 52 SER N . 17175 1 591 . 1 1 48 48 PRO HA H 1 4.21 0.02 . 1 . . . 53 PRO HA . 17175 1 592 . 1 1 48 48 PRO HB2 H 1 2.33 0.02 . 2 . . . 53 PRO HB2 . 17175 1 593 . 1 1 48 48 PRO HB3 H 1 1.8 0.02 . 2 . . . 53 PRO HB3 . 17175 1 594 . 1 1 48 48 PRO HD2 H 1 3.37 0.02 . 2 . . . 53 PRO HD2 . 17175 1 595 . 1 1 48 48 PRO HD3 H 1 2.77 0.02 . 2 . . . 53 PRO HD3 . 17175 1 596 . 1 1 48 48 PRO HG2 H 1 2.07 0.02 . 2 . . . 53 PRO HG2 . 17175 1 597 . 1 1 48 48 PRO HG3 H 1 1.95 0.02 . 2 . . . 53 PRO HG3 . 17175 1 598 . 1 1 48 48 PRO C C 13 176.6 0.2 . 1 . . . 53 PRO C . 17175 1 599 . 1 1 48 48 PRO CA C 13 65.4 0.2 . 1 . . . 53 PRO CA . 17175 1 600 . 1 1 48 48 PRO CB C 13 31.5 0.2 . 1 . . . 53 PRO CB . 17175 1 601 . 1 1 48 48 PRO CD C 13 49.7 0.2 . 1 . . . 53 PRO CD . 17175 1 602 . 1 1 48 48 PRO CG C 13 27.2 0.2 . 1 . . . 53 PRO CG . 17175 1 603 . 1 1 49 49 ASP H H 1 7.35 0.02 . 1 . . . 54 ASP H . 17175 1 604 . 1 1 49 49 ASP HA H 1 4.69 0.02 . 1 . . . 54 ASP HA . 17175 1 605 . 1 1 49 49 ASP HB2 H 1 3.05 0.02 . 2 . . . 54 ASP HB2 . 17175 1 606 . 1 1 49 49 ASP HB3 H 1 2.58 0.02 . 2 . . . 54 ASP HB3 . 17175 1 607 . 1 1 49 49 ASP C C 13 176 0.2 . 1 . . . 54 ASP C . 17175 1 608 . 1 1 49 49 ASP CA C 13 52.6 0.2 . 1 . . . 54 ASP CA . 17175 1 609 . 1 1 49 49 ASP CB C 13 40.5 0.2 . 1 . . . 54 ASP CB . 17175 1 610 . 1 1 49 49 ASP N N 15 111.7 0.2 . 1 . . . 54 ASP N . 17175 1 611 . 1 1 50 50 HIS H H 1 8.28 0.02 . 1 . . . 55 HIS H . 17175 1 612 . 1 1 50 50 HIS HA H 1 3.82 0.02 . 1 . . . 55 HIS HA . 17175 1 613 . 1 1 50 50 HIS HB2 H 1 3.3 0.02 . 2 . . . 55 HIS HB2 . 17175 1 614 . 1 1 50 50 HIS HB3 H 1 3.13 0.02 . 2 . . . 55 HIS HB3 . 17175 1 615 . 1 1 50 50 HIS HD2 H 1 5.94 0.02 . 1 . . . 55 HIS HD2 . 17175 1 616 . 1 1 50 50 HIS HE1 H 1 8.15 0.02 . 1 . . . 55 HIS HE1 . 17175 1 617 . 1 1 50 50 HIS C C 13 173.2 0.2 . 1 . . . 55 HIS C . 17175 1 618 . 1 1 50 50 HIS CA C 13 60.4 0.2 . 1 . . . 55 HIS CA . 17175 1 619 . 1 1 50 50 HIS CB C 13 25.6 0.2 . 1 . . . 55 HIS CB . 17175 1 620 . 1 1 50 50 HIS CD2 C 13 117.8 0.2 . 1 . . . 55 HIS CD2 . 17175 1 621 . 1 1 50 50 HIS CE1 C 13 136.1 0.2 . 1 . . . 55 HIS CE1 . 17175 1 622 . 1 1 50 50 HIS N N 15 111.8 0.2 . 1 . . . 55 HIS N . 17175 1 623 . 1 1 50 50 HIS ND1 N 15 180.5 0.2 . 1 . . . 55 HIS ND1 . 17175 1 624 . 1 1 50 50 HIS NE2 N 15 175.9 0.2 . 1 . . . 55 HIS NE2 . 17175 1 625 . 1 1 51 51 THR H H 1 7.77 0.02 . 1 . . . 56 THR H . 17175 1 626 . 1 1 51 51 THR HA H 1 4.56 0.02 . 1 . . . 56 THR HA . 17175 1 627 . 1 1 51 51 THR HB H 1 4.3 0.02 . 1 . . . 56 THR HB . 17175 1 628 . 1 1 51 51 THR HG21 H 1 1.14 0.02 . 1 . . . 56 THR HG2 . 17175 1 629 . 1 1 51 51 THR HG22 H 1 1.14 0.02 . 1 . . . 56 THR HG2 . 17175 1 630 . 1 1 51 51 THR HG23 H 1 1.14 0.02 . 1 . . . 56 THR HG2 . 17175 1 631 . 1 1 51 51 THR C C 13 174.8 0.2 . 1 . . . 56 THR C . 17175 1 632 . 1 1 51 51 THR CA C 13 63.2 0.2 . 1 . . . 56 THR CA . 17175 1 633 . 1 1 51 51 THR CB C 13 70.3 0.2 . 1 . . . 56 THR CB . 17175 1 634 . 1 1 51 51 THR CG2 C 13 21.4 0.2 . 1 . . . 56 THR CG2 . 17175 1 635 . 1 1 51 51 THR N N 15 105.6 0.2 . 1 . . . 56 THR N . 17175 1 636 . 1 1 52 52 LYS H H 1 7.88 0.02 . 1 . . . 57 LYS H . 17175 1 637 . 1 1 52 52 LYS HA H 1 4.72 0.02 . 1 . . . 57 LYS HA . 17175 1 638 . 1 1 52 52 LYS HB2 H 1 1.91 0.02 . 2 . . . 57 LYS HB2 . 17175 1 639 . 1 1 52 52 LYS HB3 H 1 1.46 0.02 . 2 . . . 57 LYS HB3 . 17175 1 640 . 1 1 52 52 LYS HD2 H 1 1.85 0.02 . 2 . . . 57 LYS HD2 . 17175 1 641 . 1 1 52 52 LYS HD3 H 1 1.72 0.02 . 2 . . . 57 LYS HD3 . 17175 1 642 . 1 1 52 52 LYS HE2 H 1 3.06 0.02 . 2 . . . 57 LYS HE2 . 17175 1 643 . 1 1 52 52 LYS HE3 H 1 3.06 0.02 . 2 . . . 57 LYS HE3 . 17175 1 644 . 1 1 52 52 LYS HG2 H 1 1.49 0.02 . 2 . . . 57 LYS HG2 . 17175 1 645 . 1 1 52 52 LYS HG3 H 1 1.49 0.02 . 2 . . . 57 LYS HG3 . 17175 1 646 . 1 1 52 52 LYS C C 13 173.5 0.2 . 1 . . . 57 LYS C . 17175 1 647 . 1 1 52 52 LYS CA C 13 54.7 0.2 . 1 . . . 57 LYS CA . 17175 1 648 . 1 1 52 52 LYS CB C 13 35.9 0.2 . 1 . . . 57 LYS CB . 17175 1 649 . 1 1 52 52 LYS CD C 13 29.3 0.2 . 1 . . . 57 LYS CD . 17175 1 650 . 1 1 52 52 LYS CE C 13 42.4 0.2 . 1 . . . 57 LYS CE . 17175 1 651 . 1 1 52 52 LYS CG C 13 24.9 0.2 . 1 . . . 57 LYS CG . 17175 1 652 . 1 1 52 52 LYS N N 15 121.6 0.2 . 1 . . . 57 LYS N . 17175 1 653 . 1 1 53 53 MET H H 1 8.45 0.02 . 1 . . . 58 MET H . 17175 1 654 . 1 1 53 53 MET HA H 1 4.4 0.02 . 1 . . . 58 MET HA . 17175 1 655 . 1 1 53 53 MET HB2 H 1 1.05 0.02 . 2 . . . 58 MET HB2 . 17175 1 656 . 1 1 53 53 MET HB3 H 1 0.97 0.02 . 2 . . . 58 MET HB3 . 17175 1 657 . 1 1 53 53 MET HE1 H 1 1.43 0.02 . 1 . . . 58 MET HE . 17175 1 658 . 1 1 53 53 MET HE2 H 1 1.43 0.02 . 1 . . . 58 MET HE . 17175 1 659 . 1 1 53 53 MET HE3 H 1 1.43 0.02 . 1 . . . 58 MET HE . 17175 1 660 . 1 1 53 53 MET HG2 H 1 1.82 0.02 . 2 . . . 58 MET HG2 . 17175 1 661 . 1 1 53 53 MET HG3 H 1 1.7 0.02 . 2 . . . 58 MET HG3 . 17175 1 662 . 1 1 53 53 MET C C 13 176.1 0.2 . 1 . . . 58 MET C . 17175 1 663 . 1 1 53 53 MET CA C 13 53.7 0.2 . 1 . . . 58 MET CA . 17175 1 664 . 1 1 53 53 MET CB C 13 35.3 0.2 . 1 . . . 58 MET CB . 17175 1 665 . 1 1 53 53 MET CE C 13 17 0.2 . 1 . . . 58 MET CE . 17175 1 666 . 1 1 53 53 MET CG C 13 30.5 0.2 . 1 . . . 58 MET CG . 17175 1 667 . 1 1 53 53 MET N N 15 118.1 0.2 . 1 . . . 58 MET N . 17175 1 668 . 1 1 54 54 GLY H H 1 8.33 0.02 . 1 . . . 59 GLY H . 17175 1 669 . 1 1 54 54 GLY HA2 H 1 4.51 0.02 . 2 . . . 59 GLY HA2 . 17175 1 670 . 1 1 54 54 GLY HA3 H 1 3.66 0.02 . 2 . . . 59 GLY HA3 . 17175 1 671 . 1 1 54 54 GLY C C 13 173.3 0.2 . 1 . . . 59 GLY C . 17175 1 672 . 1 1 54 54 GLY CA C 13 43.3 0.2 . 1 . . . 59 GLY CA . 17175 1 673 . 1 1 54 54 GLY N N 15 110.6 0.2 . 1 . . . 59 GLY N . 17175 1 674 . 1 1 55 55 LYS H H 1 8.46 0.02 . 1 . . . 60 LYS H . 17175 1 675 . 1 1 55 55 LYS HA H 1 4.24 0.02 . 1 . . . 60 LYS HA . 17175 1 676 . 1 1 55 55 LYS HB2 H 1 2 0.02 . 2 . . . 60 LYS HB2 . 17175 1 677 . 1 1 55 55 LYS HB3 H 1 1.76 0.02 . 2 . . . 60 LYS HB3 . 17175 1 678 . 1 1 55 55 LYS HD2 H 1 1.72 0.02 . 2 . . . 60 LYS HD2 . 17175 1 679 . 1 1 55 55 LYS HD3 H 1 1.72 0.02 . 2 . . . 60 LYS HD3 . 17175 1 680 . 1 1 55 55 LYS HE2 H 1 2.95 0.02 . 2 . . . 60 LYS HE2 . 17175 1 681 . 1 1 55 55 LYS HE3 H 1 2.95 0.02 . 2 . . . 60 LYS HE3 . 17175 1 682 . 1 1 55 55 LYS HG2 H 1 1.52 0.02 . 2 . . . 60 LYS HG2 . 17175 1 683 . 1 1 55 55 LYS HG3 H 1 1.46 0.02 . 2 . . . 60 LYS HG3 . 17175 1 684 . 1 1 55 55 LYS C C 13 177.5 0.2 . 1 . . . 60 LYS C . 17175 1 685 . 1 1 55 55 LYS CA C 13 56.9 0.2 . 1 . . . 60 LYS CA . 17175 1 686 . 1 1 55 55 LYS CB C 13 32.8 0.2 . 1 . . . 60 LYS CB . 17175 1 687 . 1 1 55 55 LYS CD C 13 29.2 0.2 . 1 . . . 60 LYS CD . 17175 1 688 . 1 1 55 55 LYS CE C 13 42.2 0.2 . 1 . . . 60 LYS CE . 17175 1 689 . 1 1 55 55 LYS CG C 13 25.7 0.2 . 1 . . . 60 LYS CG . 17175 1 690 . 1 1 55 55 LYS N N 15 121.6 0.2 . 1 . . . 60 LYS N . 17175 1 691 . 1 1 56 56 GLY H H 1 7.91 0.02 . 1 . . . 61 GLY H . 17175 1 692 . 1 1 56 56 GLY HA2 H 1 4.27 0.02 . 2 . . . 61 GLY HA2 . 17175 1 693 . 1 1 56 56 GLY HA3 H 1 4.15 0.02 . 2 . . . 61 GLY HA3 . 17175 1 694 . 1 1 56 56 GLY C C 13 170.4 0.2 . 1 . . . 61 GLY C . 17175 1 695 . 1 1 56 56 GLY CA C 13 46.8 0.2 . 1 . . . 61 GLY CA . 17175 1 696 . 1 1 56 56 GLY N N 15 110 0.2 . 1 . . . 61 GLY N . 17175 1 697 . 1 1 57 57 ILE H H 1 8.94 0.02 . 1 . . . 62 ILE H . 17175 1 698 . 1 1 57 57 ILE HA H 1 4.7 0.02 . 1 . . . 62 ILE HA . 17175 1 699 . 1 1 57 57 ILE HB H 1 1.53 0.02 . 1 . . . 62 ILE HB . 17175 1 700 . 1 1 57 57 ILE HD11 H 1 0.93 0.02 . 1 . . . 62 ILE HD1 . 17175 1 701 . 1 1 57 57 ILE HD12 H 1 0.93 0.02 . 1 . . . 62 ILE HD1 . 17175 1 702 . 1 1 57 57 ILE HD13 H 1 0.93 0.02 . 1 . . . 62 ILE HD1 . 17175 1 703 . 1 1 57 57 ILE HG12 H 1 1.68 0.02 . 2 . . . 62 ILE HG12 . 17175 1 704 . 1 1 57 57 ILE HG13 H 1 1.15 0.02 . 2 . . . 62 ILE HG13 . 17175 1 705 . 1 1 57 57 ILE HG21 H 1 0.87 0.02 . 1 . . . 62 ILE HG2 . 17175 1 706 . 1 1 57 57 ILE HG22 H 1 0.87 0.02 . 1 . . . 62 ILE HG2 . 17175 1 707 . 1 1 57 57 ILE HG23 H 1 0.87 0.02 . 1 . . . 62 ILE HG2 . 17175 1 708 . 1 1 57 57 ILE C C 13 170.9 0.2 . 1 . . . 62 ILE C . 17175 1 709 . 1 1 57 57 ILE CA C 13 58.7 0.2 . 1 . . . 62 ILE CA . 17175 1 710 . 1 1 57 57 ILE CB C 13 43.4 0.2 . 1 . . . 62 ILE CB . 17175 1 711 . 1 1 57 57 ILE CD1 C 13 14.5 0.2 . 1 . . . 62 ILE CD1 . 17175 1 712 . 1 1 57 57 ILE CG1 C 13 29 0.2 . 1 . . . 62 ILE CG1 . 17175 1 713 . 1 1 57 57 ILE CG2 C 13 16.1 0.2 . 1 . . . 62 ILE CG2 . 17175 1 714 . 1 1 57 57 ILE N N 15 117.7 0.2 . 1 . . . 62 ILE N . 17175 1 715 . 1 1 58 58 THR H H 1 8.26 0.02 . 1 . . . 63 THR H . 17175 1 716 . 1 1 58 58 THR HA H 1 5.26 0.02 . 1 . . . 63 THR HA . 17175 1 717 . 1 1 58 58 THR HB H 1 3.78 0.02 . 1 . . . 63 THR HB . 17175 1 718 . 1 1 58 58 THR HG21 H 1 1.38 0.02 . 1 . . . 63 THR HG2 . 17175 1 719 . 1 1 58 58 THR HG22 H 1 1.38 0.02 . 1 . . . 63 THR HG2 . 17175 1 720 . 1 1 58 58 THR HG23 H 1 1.38 0.02 . 1 . . . 63 THR HG2 . 17175 1 721 . 1 1 58 58 THR C C 13 173.9 0.2 . 1 . . . 63 THR C . 17175 1 722 . 1 1 58 58 THR CA C 13 61.4 0.2 . 1 . . . 63 THR CA . 17175 1 723 . 1 1 58 58 THR CB C 13 70.3 0.2 . 1 . . . 63 THR CB . 17175 1 724 . 1 1 58 58 THR CG2 C 13 24.4 0.2 . 1 . . . 63 THR CG2 . 17175 1 725 . 1 1 58 58 THR N N 15 123.1 0.2 . 1 . . . 63 THR N . 17175 1 726 . 1 1 59 59 LEU H H 1 9.32 0.02 . 1 . . . 64 LEU H . 17175 1 727 . 1 1 59 59 LEU HA H 1 5.12 0.02 . 1 . . . 64 LEU HA . 17175 1 728 . 1 1 59 59 LEU HB2 H 1 1.85 0.02 . 2 . . . 64 LEU HB2 . 17175 1 729 . 1 1 59 59 LEU HB3 H 1 1.75 0.02 . 2 . . . 64 LEU HB3 . 17175 1 730 . 1 1 59 59 LEU HD11 H 1 0.91 0.02 . 2 . . . 64 LEU HD1 . 17175 1 731 . 1 1 59 59 LEU HD12 H 1 0.91 0.02 . 2 . . . 64 LEU HD1 . 17175 1 732 . 1 1 59 59 LEU HD13 H 1 0.91 0.02 . 2 . . . 64 LEU HD1 . 17175 1 733 . 1 1 59 59 LEU HD21 H 1 0.81 0.02 . 2 . . . 64 LEU HD2 . 17175 1 734 . 1 1 59 59 LEU HD22 H 1 0.81 0.02 . 2 . . . 64 LEU HD2 . 17175 1 735 . 1 1 59 59 LEU HD23 H 1 0.81 0.02 . 2 . . . 64 LEU HD2 . 17175 1 736 . 1 1 59 59 LEU HG H 1 1.63 0.02 . 1 . . . 64 LEU HG . 17175 1 737 . 1 1 59 59 LEU C C 13 176 0.2 . 1 . . . 64 LEU C . 17175 1 738 . 1 1 59 59 LEU CA C 13 53 0.2 . 1 . . . 64 LEU CA . 17175 1 739 . 1 1 59 59 LEU CB C 13 46 0.2 . 1 . . . 64 LEU CB . 17175 1 740 . 1 1 59 59 LEU CD1 C 13 26.9 0.2 . 2 . . . 64 LEU CD1 . 17175 1 741 . 1 1 59 59 LEU CD2 C 13 24.6 0.2 . 2 . . . 64 LEU CD2 . 17175 1 742 . 1 1 59 59 LEU CG C 13 27.5 0.2 . 1 . . . 64 LEU CG . 17175 1 743 . 1 1 59 59 LEU N N 15 126.3 0.2 . 1 . . . 64 LEU N . 17175 1 744 . 1 1 60 60 SER H H 1 9.63 0.02 . 1 . . . 65 SER H . 17175 1 745 . 1 1 60 60 SER HA H 1 4.61 0.02 . 1 . . . 65 SER HA . 17175 1 746 . 1 1 60 60 SER HB2 H 1 4.54 0.02 . 2 . . . 65 SER HB2 . 17175 1 747 . 1 1 60 60 SER HB3 H 1 4.1 0.02 . 2 . . . 65 SER HB3 . 17175 1 748 . 1 1 60 60 SER C C 13 174.8 0.2 . 1 . . . 65 SER C . 17175 1 749 . 1 1 60 60 SER CA C 13 57 0.2 . 1 . . . 65 SER CA . 17175 1 750 . 1 1 60 60 SER CB C 13 65.6 0.2 . 1 . . . 65 SER CB . 17175 1 751 . 1 1 60 60 SER N N 15 118.1 0.2 . 1 . . . 65 SER N . 17175 1 752 . 1 1 61 61 ASN H H 1 9.54 0.02 . 1 . . . 66 ASN H . 17175 1 753 . 1 1 61 61 ASN HA H 1 4.64 0.02 . 1 . . . 66 ASN HA . 17175 1 754 . 1 1 61 61 ASN HB2 H 1 3.01 0.02 . 2 . . . 66 ASN HB2 . 17175 1 755 . 1 1 61 61 ASN HB3 H 1 2.97 0.02 . 2 . . . 66 ASN HB3 . 17175 1 756 . 1 1 61 61 ASN HD21 H 1 7.79 0.02 . 2 . . . 66 ASN HD21 . 17175 1 757 . 1 1 61 61 ASN HD22 H 1 7.07 0.02 . 2 . . . 66 ASN HD22 . 17175 1 758 . 1 1 61 61 ASN C C 13 177.8 0.2 . 1 . . . 66 ASN C . 17175 1 759 . 1 1 61 61 ASN CA C 13 57.2 0.2 . 1 . . . 66 ASN CA . 17175 1 760 . 1 1 61 61 ASN CB C 13 37.5 0.2 . 1 . . . 66 ASN CB . 17175 1 761 . 1 1 61 61 ASN CG C 13 176 0.2 . 1 . . . 66 ASN CG . 17175 1 762 . 1 1 61 61 ASN N N 15 121.1 0.2 . 1 . . . 66 ASN N . 17175 1 763 . 1 1 61 61 ASN ND2 N 15 112.2 0.2 . 1 . . . 66 ASN ND2 . 17175 1 764 . 1 1 62 62 GLU H H 1 8.95 0.02 . 1 . . . 67 GLU H . 17175 1 765 . 1 1 62 62 GLU HA H 1 4.08 0.02 . 1 . . . 67 GLU HA . 17175 1 766 . 1 1 62 62 GLU HB2 H 1 2.1 0.02 . 2 . . . 67 GLU HB2 . 17175 1 767 . 1 1 62 62 GLU HB3 H 1 2 0.02 . 2 . . . 67 GLU HB3 . 17175 1 768 . 1 1 62 62 GLU HG2 H 1 2.51 0.02 . 2 . . . 67 GLU HG2 . 17175 1 769 . 1 1 62 62 GLU HG3 H 1 2.34 0.02 . 2 . . . 67 GLU HG3 . 17175 1 770 . 1 1 62 62 GLU C C 13 179.6 0.2 . 1 . . . 67 GLU C . 17175 1 771 . 1 1 62 62 GLU CA C 13 60.4 0.2 . 1 . . . 67 GLU CA . 17175 1 772 . 1 1 62 62 GLU CB C 13 29 0.2 . 1 . . . 67 GLU CB . 17175 1 773 . 1 1 62 62 GLU CG C 13 36.5 0.2 . 1 . . . 67 GLU CG . 17175 1 774 . 1 1 62 62 GLU N N 15 119.4 0.2 . 1 . . . 67 GLU N . 17175 1 775 . 1 1 63 63 GLU H H 1 8.07 0.02 . 1 . . . 68 GLU H . 17175 1 776 . 1 1 63 63 GLU HA H 1 3.92 0.02 . 1 . . . 68 GLU HA . 17175 1 777 . 1 1 63 63 GLU HB2 H 1 1.75 0.02 . 2 . . . 68 GLU HB2 . 17175 1 778 . 1 1 63 63 GLU HB3 H 1 1.75 0.02 . 2 . . . 68 GLU HB3 . 17175 1 779 . 1 1 63 63 GLU HG2 H 1 2.45 0.02 . 2 . . . 68 GLU HG2 . 17175 1 780 . 1 1 63 63 GLU HG3 H 1 2.09 0.02 . 2 . . . 68 GLU HG3 . 17175 1 781 . 1 1 63 63 GLU C C 13 178.1 0.2 . 1 . . . 68 GLU C . 17175 1 782 . 1 1 63 63 GLU CA C 13 59.2 0.2 . 1 . . . 68 GLU CA . 17175 1 783 . 1 1 63 63 GLU CB C 13 30.8 0.2 . 1 . . . 68 GLU CB . 17175 1 784 . 1 1 63 63 GLU CG C 13 37.5 0.2 . 1 . . . 68 GLU CG . 17175 1 785 . 1 1 63 63 GLU N N 15 121.6 0.2 . 1 . . . 68 GLU N . 17175 1 786 . 1 1 64 64 PHE H H 1 8.71 0.02 . 1 . . . 69 PHE H . 17175 1 787 . 1 1 64 64 PHE HA H 1 3.73 0.02 . 1 . . . 69 PHE HA . 17175 1 788 . 1 1 64 64 PHE HB2 H 1 2.57 0.02 . 2 . . . 69 PHE HB2 . 17175 1 789 . 1 1 64 64 PHE HB3 H 1 2.57 0.02 . 2 . . . 69 PHE HB3 . 17175 1 790 . 1 1 64 64 PHE HD1 H 1 6.34 0.02 . 3 . . . 69 PHE HD1 . 17175 1 791 . 1 1 64 64 PHE HD2 H 1 6.34 0.02 . 3 . . . 69 PHE HD2 . 17175 1 792 . 1 1 64 64 PHE HE1 H 1 6.60 0.02 . 3 . . . 69 PHE HE1 . 17175 1 793 . 1 1 64 64 PHE HE2 H 1 6.60 0.02 . 3 . . . 69 PHE HE2 . 17175 1 794 . 1 1 64 64 PHE HZ H 1 6.56 0.02 . 1 . . . 69 PHE HZ . 17175 1 795 . 1 1 64 64 PHE C C 13 176.5 0.2 . 1 . . . 69 PHE C . 17175 1 796 . 1 1 64 64 PHE CA C 13 62.4 0.2 . 1 . . . 69 PHE CA . 17175 1 797 . 1 1 64 64 PHE CB C 13 40.2 0.2 . 1 . . . 69 PHE CB . 17175 1 798 . 1 1 64 64 PHE CD1 C 13 130.9 0.2 . 3 . . . 69 PHE CD1 . 17175 1 799 . 1 1 64 64 PHE CD2 C 13 130.9 0.2 . 3 . . . 69 PHE CD2 . 17175 1 800 . 1 1 64 64 PHE CE1 C 13 130.2 0.2 . 3 . . . 69 PHE CE1 . 17175 1 801 . 1 1 64 64 PHE CE2 C 13 130.2 0.2 . 3 . . . 69 PHE CE2 . 17175 1 802 . 1 1 64 64 PHE CZ C 13 128.3 0.2 . 1 . . . 69 PHE CZ . 17175 1 803 . 1 1 64 64 PHE N N 15 118.9 0.2 . 1 . . . 69 PHE N . 17175 1 804 . 1 1 65 65 GLN H H 1 8.33 0.02 . 1 . . . 70 GLN H . 17175 1 805 . 1 1 65 65 GLN HA H 1 3.64 0.02 . 1 . . . 70 GLN HA . 17175 1 806 . 1 1 65 65 GLN HB2 H 1 2.12 0.02 . 2 . . . 70 GLN HB2 . 17175 1 807 . 1 1 65 65 GLN HB3 H 1 2.05 0.02 . 2 . . . 70 GLN HB3 . 17175 1 808 . 1 1 65 65 GLN HE21 H 1 7.36 0.02 . 2 . . . 70 GLN HE21 . 17175 1 809 . 1 1 65 65 GLN HE22 H 1 6.91 0.02 . 2 . . . 70 GLN HE22 . 17175 1 810 . 1 1 65 65 GLN HG2 H 1 2.44 0.02 . 2 . . . 70 GLN HG2 . 17175 1 811 . 1 1 65 65 GLN HG3 H 1 2.38 0.02 . 2 . . . 70 GLN HG3 . 17175 1 812 . 1 1 65 65 GLN C C 13 178 0.2 . 1 . . . 70 GLN C . 17175 1 813 . 1 1 65 65 GLN CA C 13 58.3 0.2 . 1 . . . 70 GLN CA . 17175 1 814 . 1 1 65 65 GLN CB C 13 28.2 0.2 . 1 . . . 70 GLN CB . 17175 1 815 . 1 1 65 65 GLN CD C 13 180.2 0.2 . 1 . . . 70 GLN CD . 17175 1 816 . 1 1 65 65 GLN CG C 13 33.7 0.2 . 1 . . . 70 GLN CG . 17175 1 817 . 1 1 65 65 GLN N N 15 117 0.2 . 1 . . . 70 GLN N . 17175 1 818 . 1 1 65 65 GLN NE2 N 15 112.5 0.2 . 1 . . . 70 GLN NE2 . 17175 1 819 . 1 1 66 66 THR H H 1 8.1 0.02 . 1 . . . 71 THR H . 17175 1 820 . 1 1 66 66 THR HA H 1 3.75 0.02 . 1 . . . 71 THR HA . 17175 1 821 . 1 1 66 66 THR HB H 1 4.35 0.02 . 1 . . . 71 THR HB . 17175 1 822 . 1 1 66 66 THR HG21 H 1 1.23 0.02 . 1 . . . 71 THR HG2 . 17175 1 823 . 1 1 66 66 THR HG22 H 1 1.23 0.02 . 1 . . . 71 THR HG2 . 17175 1 824 . 1 1 66 66 THR HG23 H 1 1.23 0.02 . 1 . . . 71 THR HG2 . 17175 1 825 . 1 1 66 66 THR C C 13 176.1 0.2 . 1 . . . 71 THR C . 17175 1 826 . 1 1 66 66 THR CA C 13 67.1 0.2 . 1 . . . 71 THR CA . 17175 1 827 . 1 1 66 66 THR CB C 13 68.3 0.2 . 1 . . . 71 THR CB . 17175 1 828 . 1 1 66 66 THR CG2 C 13 21.6 0.2 . 1 . . . 71 THR CG2 . 17175 1 829 . 1 1 66 66 THR N N 15 117 0.2 . 1 . . . 71 THR N . 17175 1 830 . 1 1 67 67 MET H H 1 7.47 0.02 . 1 . . . 72 MET H . 17175 1 831 . 1 1 67 67 MET HA H 1 3.34 0.02 . 1 . . . 72 MET HA . 17175 1 832 . 1 1 67 67 MET HB2 H 1 1.65 0.02 . 2 . . . 72 MET HB2 . 17175 1 833 . 1 1 67 67 MET HB3 H 1 1.65 0.02 . 2 . . . 72 MET HB3 . 17175 1 834 . 1 1 67 67 MET HE1 H 1 1.65 0.02 . 1 . . . 72 MET HE . 17175 1 835 . 1 1 67 67 MET HE2 H 1 1.65 0.02 . 1 . . . 72 MET HE . 17175 1 836 . 1 1 67 67 MET HE3 H 1 1.65 0.02 . 1 . . . 72 MET HE . 17175 1 837 . 1 1 67 67 MET HG2 H 1 1.83 0.02 . 2 . . . 72 MET HG2 . 17175 1 838 . 1 1 67 67 MET HG3 H 1 1.65 0.02 . 2 . . . 72 MET HG3 . 17175 1 839 . 1 1 67 67 MET C C 13 175.5 0.2 . 1 . . . 72 MET C . 17175 1 840 . 1 1 67 67 MET CA C 13 59.7 0.2 . 1 . . . 72 MET CA . 17175 1 841 . 1 1 67 67 MET CB C 13 32.9 0.2 . 1 . . . 72 MET CB . 17175 1 842 . 1 1 67 67 MET CE C 13 17 0.2 . 1 . . . 72 MET CE . 17175 1 843 . 1 1 67 67 MET CG C 13 31.8 0.2 . 1 . . . 72 MET CG . 17175 1 844 . 1 1 67 67 MET N N 15 121.7 0.2 . 1 . . . 72 MET N . 17175 1 845 . 1 1 68 68 VAL H H 1 7.79 0.02 . 1 . . . 73 VAL H . 17175 1 846 . 1 1 68 68 VAL HA H 1 2.62 0.02 . 1 . . . 73 VAL HA . 17175 1 847 . 1 1 68 68 VAL HB H 1 1.46 0.02 . 1 . . . 73 VAL HB . 17175 1 848 . 1 1 68 68 VAL HG11 H 1 0.42 0.02 . 2 . . . 73 VAL HG1 . 17175 1 849 . 1 1 68 68 VAL HG12 H 1 0.42 0.02 . 2 . . . 73 VAL HG1 . 17175 1 850 . 1 1 68 68 VAL HG13 H 1 0.42 0.02 . 2 . . . 73 VAL HG1 . 17175 1 851 . 1 1 68 68 VAL HG21 H 1 -0.29 0.02 . 2 . . . 73 VAL HG2 . 17175 1 852 . 1 1 68 68 VAL HG22 H 1 -0.29 0.02 . 2 . . . 73 VAL HG2 . 17175 1 853 . 1 1 68 68 VAL HG23 H 1 -0.29 0.02 . 2 . . . 73 VAL HG2 . 17175 1 854 . 1 1 68 68 VAL C C 13 178.3 0.2 . 1 . . . 73 VAL C . 17175 1 855 . 1 1 68 68 VAL CA C 13 66.6 0.2 . 1 . . . 73 VAL CA . 17175 1 856 . 1 1 68 68 VAL CB C 13 31.3 0.2 . 1 . . . 73 VAL CB . 17175 1 857 . 1 1 68 68 VAL CG1 C 13 21.4 0.2 . 2 . . . 73 VAL CG1 . 17175 1 858 . 1 1 68 68 VAL CG2 C 13 21.8 0.2 . 2 . . . 73 VAL CG2 . 17175 1 859 . 1 1 68 68 VAL N N 15 117.3 0.2 . 1 . . . 73 VAL N . 17175 1 860 . 1 1 69 69 ASP H H 1 8.21 0.02 . 1 . . . 74 ASP H . 17175 1 861 . 1 1 69 69 ASP HA H 1 4.22 0.02 . 1 . . . 74 ASP HA . 17175 1 862 . 1 1 69 69 ASP HB2 H 1 2.75 0.02 . 2 . . . 74 ASP HB2 . 17175 1 863 . 1 1 69 69 ASP HB3 H 1 2.65 0.02 . 2 . . . 74 ASP HB3 . 17175 1 864 . 1 1 69 69 ASP C C 13 178 0.2 . 1 . . . 74 ASP C . 17175 1 865 . 1 1 69 69 ASP CA C 13 55.6 0.2 . 1 . . . 74 ASP CA . 17175 1 866 . 1 1 69 69 ASP CB C 13 37.7 0.2 . 1 . . . 74 ASP CB . 17175 1 867 . 1 1 69 69 ASP N N 15 115.9 0.2 . 1 . . . 74 ASP N . 17175 1 868 . 1 1 70 70 ALA H H 1 7.51 0.02 . 1 . . . 75 ALA H . 17175 1 869 . 1 1 70 70 ALA HA H 1 4.05 0.02 . 1 . . . 75 ALA HA . 17175 1 870 . 1 1 70 70 ALA HB1 H 1 1.22 0.02 . 1 . . . 75 ALA HB . 17175 1 871 . 1 1 70 70 ALA HB2 H 1 1.22 0.02 . 1 . . . 75 ALA HB . 17175 1 872 . 1 1 70 70 ALA HB3 H 1 1.22 0.02 . 1 . . . 75 ALA HB . 17175 1 873 . 1 1 70 70 ALA C C 13 179.9 0.2 . 1 . . . 75 ALA C . 17175 1 874 . 1 1 70 70 ALA CA C 13 54.4 0.2 . 1 . . . 75 ALA CA . 17175 1 875 . 1 1 70 70 ALA CB C 13 19.3 0.2 . 1 . . . 75 ALA CB . 17175 1 876 . 1 1 70 70 ALA N N 15 122.1 0.2 . 1 . . . 75 ALA N . 17175 1 877 . 1 1 71 71 PHE H H 1 7.65 0.02 . 1 . . . 76 PHE H . 17175 1 878 . 1 1 71 71 PHE HA H 1 4.62 0.02 . 1 . . . 76 PHE HA . 17175 1 879 . 1 1 71 71 PHE HB2 H 1 3.3 0.02 . 2 . . . 76 PHE HB2 . 17175 1 880 . 1 1 71 71 PHE HB3 H 1 3.01 0.02 . 2 . . . 76 PHE HB3 . 17175 1 881 . 1 1 71 71 PHE HD1 H 1 7.15 0.02 . 3 . . . 76 PHE HD1 . 17175 1 882 . 1 1 71 71 PHE HD2 H 1 7.15 0.02 . 3 . . . 76 PHE HD2 . 17175 1 883 . 1 1 71 71 PHE HE1 H 1 7.00 0.02 . 3 . . . 76 PHE HE1 . 17175 1 884 . 1 1 71 71 PHE HE2 H 1 7.00 0.02 . 3 . . . 76 PHE HE2 . 17175 1 885 . 1 1 71 71 PHE HZ H 1 6.90 0.02 . 1 . . . 76 PHE HZ . 17175 1 886 . 1 1 71 71 PHE C C 13 177 0.2 . 1 . . . 76 PHE C . 17175 1 887 . 1 1 71 71 PHE CA C 13 57.8 0.2 . 1 . . . 76 PHE CA . 17175 1 888 . 1 1 71 71 PHE CB C 13 38.3 0.2 . 1 . . . 76 PHE CB . 17175 1 889 . 1 1 71 71 PHE CD1 C 13 131.3 0.2 . 3 . . . 76 PHE CD1 . 17175 1 890 . 1 1 71 71 PHE CD2 C 13 131.3 0.2 . 3 . . . 76 PHE CD2 . 17175 1 891 . 1 1 71 71 PHE CE1 C 13 130.5 0.2 . 3 . . . 76 PHE CE1 . 17175 1 892 . 1 1 71 71 PHE CE2 C 13 130.5 0.2 . 3 . . . 76 PHE CE2 . 17175 1 893 . 1 1 71 71 PHE CZ C 13 128.6 0.2 . 1 . . . 76 PHE CZ . 17175 1 894 . 1 1 71 71 PHE N N 15 116.2 0.2 . 1 . . . 76 PHE N . 17175 1 895 . 1 1 72 72 LYS H H 1 7.9 0.02 . 1 . . . 77 LYS H . 17175 1 896 . 1 1 72 72 LYS HA H 1 4.18 0.02 . 1 . . . 77 LYS HA . 17175 1 897 . 1 1 72 72 LYS HB2 H 1 1.87 0.02 . 2 . . . 77 LYS HB2 . 17175 1 898 . 1 1 72 72 LYS HB3 H 1 1.87 0.02 . 2 . . . 77 LYS HB3 . 17175 1 899 . 1 1 72 72 LYS HD2 H 1 1.66 0.02 . 2 . . . 77 LYS HD2 . 17175 1 900 . 1 1 72 72 LYS HD3 H 1 1.66 0.02 . 2 . . . 77 LYS HD3 . 17175 1 901 . 1 1 72 72 LYS HE2 H 1 2.96 0.02 . 2 . . . 77 LYS HE2 . 17175 1 902 . 1 1 72 72 LYS HE3 H 1 2.96 0.02 . 2 . . . 77 LYS HE3 . 17175 1 903 . 1 1 72 72 LYS HG2 H 1 1.58 0.02 . 2 . . . 77 LYS HG2 . 17175 1 904 . 1 1 72 72 LYS HG3 H 1 1.49 0.02 . 2 . . . 77 LYS HG3 . 17175 1 905 . 1 1 72 72 LYS C C 13 177.2 0.2 . 1 . . . 77 LYS C . 17175 1 906 . 1 1 72 72 LYS CA C 13 58.4 0.2 . 1 . . . 77 LYS CA . 17175 1 907 . 1 1 72 72 LYS CB C 13 32.8 0.2 . 1 . . . 77 LYS CB . 17175 1 908 . 1 1 72 72 LYS CD C 13 29.4 0.2 . 1 . . . 77 LYS CD . 17175 1 909 . 1 1 72 72 LYS CE C 13 42.1 0.2 . 1 . . . 77 LYS CE . 17175 1 910 . 1 1 72 72 LYS CG C 13 25.4 0.2 . 1 . . . 77 LYS CG . 17175 1 911 . 1 1 72 72 LYS N N 15 118.3 0.2 . 1 . . . 77 LYS N . 17175 1 912 . 1 1 73 73 GLY H H 1 7.73 0.02 . 1 . . . 78 GLY H . 17175 1 913 . 1 1 73 73 GLY HA2 H 1 4.11 0.02 . 2 . . . 78 GLY HA2 . 17175 1 914 . 1 1 73 73 GLY HA3 H 1 3.82 0.02 . 2 . . . 78 GLY HA3 . 17175 1 915 . 1 1 73 73 GLY C C 13 173.6 0.2 . 1 . . . 78 GLY C . 17175 1 916 . 1 1 73 73 GLY CA C 13 45.2 0.2 . 1 . . . 78 GLY CA . 17175 1 917 . 1 1 73 73 GLY N N 15 107 0.2 . 1 . . . 78 GLY N . 17175 1 918 . 1 1 74 74 ASN H H 1 8.26 0.02 . 1 . . . 79 ASN H . 17175 1 919 . 1 1 74 74 ASN HA H 1 4.69 0.02 . 1 . . . 79 ASN HA . 17175 1 920 . 1 1 74 74 ASN HB2 H 1 2.84 0.02 . 2 . . . 79 ASN HB2 . 17175 1 921 . 1 1 74 74 ASN HB3 H 1 2.73 0.02 . 2 . . . 79 ASN HB3 . 17175 1 922 . 1 1 74 74 ASN HD21 H 1 7.58 0.02 . 2 . . . 79 ASN HD21 . 17175 1 923 . 1 1 74 74 ASN HD22 H 1 6.93 0.02 . 2 . . . 79 ASN HD22 . 17175 1 924 . 1 1 74 74 ASN C C 13 175.3 0.2 . 1 . . . 79 ASN C . 17175 1 925 . 1 1 74 74 ASN CA C 13 53.5 0.2 . 1 . . . 79 ASN CA . 17175 1 926 . 1 1 74 74 ASN CB C 13 38.7 0.2 . 1 . . . 79 ASN CB . 17175 1 927 . 1 1 74 74 ASN N N 15 118.7 0.2 . 1 . . . 79 ASN N . 17175 1 928 . 1 1 74 74 ASN ND2 N 15 112.8 0.2 . 1 . . . 79 ASN ND2 . 17175 1 929 . 1 1 75 75 LEU H H 1 8.35 0.02 . 1 . . . 80 LEU H . 17175 1 930 . 1 1 75 75 LEU HA H 1 4.2 0.02 . 1 . . . 80 LEU HA . 17175 1 931 . 1 1 75 75 LEU HB2 H 1 1.56 0.02 . 2 . . . 80 LEU HB2 . 17175 1 932 . 1 1 75 75 LEU HB3 H 1 1.56 0.02 . 2 . . . 80 LEU HB3 . 17175 1 933 . 1 1 75 75 LEU HD11 H 1 0.86 0.02 . 2 . . . 80 LEU HD1 . 17175 1 934 . 1 1 75 75 LEU HD12 H 1 0.86 0.02 . 2 . . . 80 LEU HD1 . 17175 1 935 . 1 1 75 75 LEU HD13 H 1 0.86 0.02 . 2 . . . 80 LEU HD1 . 17175 1 936 . 1 1 75 75 LEU HD21 H 1 0.78 0.02 . 2 . . . 80 LEU HD2 . 17175 1 937 . 1 1 75 75 LEU HD22 H 1 0.78 0.02 . 2 . . . 80 LEU HD2 . 17175 1 938 . 1 1 75 75 LEU HD23 H 1 0.78 0.02 . 2 . . . 80 LEU HD2 . 17175 1 939 . 1 1 75 75 LEU HG H 1 1.57 0.02 . 1 . . . 80 LEU HG . 17175 1 940 . 1 1 75 75 LEU C C 13 177.2 0.2 . 1 . . . 80 LEU C . 17175 1 941 . 1 1 75 75 LEU CA C 13 55.8 0.2 . 1 . . . 80 LEU CA . 17175 1 942 . 1 1 75 75 LEU CB C 13 42.2 0.2 . 1 . . . 80 LEU CB . 17175 1 943 . 1 1 75 75 LEU CD1 C 13 25.2 0.2 . 2 . . . 80 LEU CD1 . 17175 1 944 . 1 1 75 75 LEU CD2 C 13 24.1 0.2 . 2 . . . 80 LEU CD2 . 17175 1 945 . 1 1 75 75 LEU CG C 13 27.1 0.2 . 1 . . . 80 LEU CG . 17175 1 946 . 1 1 75 75 LEU N N 15 122.3 0.2 . 1 . . . 80 LEU N . 17175 1 947 . 1 1 76 76 GLU H H 1 8.36 0.02 . 1 . . . 81 GLU H . 17175 1 948 . 1 1 76 76 GLU HA H 1 4.16 0.02 . 1 . . . 81 GLU HA . 17175 1 949 . 1 1 76 76 GLU HB2 H 1 1.87 0.02 . 2 . . . 81 GLU HB2 . 17175 1 950 . 1 1 76 76 GLU HB3 H 1 1.87 0.02 . 2 . . . 81 GLU HB3 . 17175 1 951 . 1 1 76 76 GLU HG2 H 1 2.22 0.02 . 2 . . . 81 GLU HG2 . 17175 1 952 . 1 1 76 76 GLU HG3 H 1 2.14 0.02 . 2 . . . 81 GLU HG3 . 17175 1 953 . 1 1 76 76 GLU C C 13 176 0.2 . 1 . . . 81 GLU C . 17175 1 954 . 1 1 76 76 GLU CA C 13 56.4 0.2 . 1 . . . 81 GLU CA . 17175 1 955 . 1 1 76 76 GLU CB C 13 29.9 0.2 . 1 . . . 81 GLU CB . 17175 1 956 . 1 1 76 76 GLU CG C 13 35.3 0.2 . 1 . . . 81 GLU CG . 17175 1 957 . 1 1 76 76 GLU N N 15 120.1 0.2 . 1 . . . 81 GLU N . 17175 1 958 . 1 1 77 77 HIS H H 1 8.38 0.02 . 1 . . . 82 HIS H . 17175 1 959 . 1 1 77 77 HIS HA H 1 4.62 0.02 . 1 . . . 82 HIS HA . 17175 1 960 . 1 1 77 77 HIS HB2 H 1 3.16 0.02 . 2 . . . 82 HIS HB2 . 17175 1 961 . 1 1 77 77 HIS HB3 H 1 3.05 0.02 . 2 . . . 82 HIS HB3 . 17175 1 962 . 1 1 77 77 HIS HD2 H 1 7.23 0.02 . 1 . . . 82 HIS HD2 . 17175 1 963 . 1 1 77 77 HIS C C 13 174.2 0.2 . 1 . . . 82 HIS C . 17175 1 964 . 1 1 77 77 HIS CA C 13 55.1 0.2 . 1 . . . 82 HIS CA . 17175 1 965 . 1 1 77 77 HIS CB C 13 28.9 0.2 . 1 . . . 82 HIS CB . 17175 1 966 . 1 1 77 77 HIS N N 15 118.7 0.2 . 1 . . . 82 HIS N . 17175 1 967 . 1 1 78 78 HIS H H 1 8.52 0.02 . 1 . . . 83 HIS H . 17175 1 968 . 1 1 78 78 HIS HA H 1 4.64 0.02 . 1 . . . 83 HIS HA . 17175 1 969 . 1 1 78 78 HIS HB2 H 1 3.18 0.02 . 2 . . . 83 HIS HB2 . 17175 1 970 . 1 1 78 78 HIS HB3 H 1 3.09 0.02 . 2 . . . 83 HIS HB3 . 17175 1 971 . 1 1 78 78 HIS C C 13 174.2 0.2 . 1 . . . 83 HIS C . 17175 1 972 . 1 1 78 78 HIS CA C 13 55.3 0.2 . 1 . . . 83 HIS CA . 17175 1 973 . 1 1 78 78 HIS CB C 13 29.1 0.2 . 1 . . . 83 HIS CB . 17175 1 974 . 1 1 78 78 HIS N N 15 119.1 0.2 . 1 . . . 83 HIS N . 17175 1 975 . 1 1 79 79 HIS H H 1 8.66 0.02 . 1 . . . 84 HIS H . 17175 1 976 . 1 1 79 79 HIS HA H 1 4.65 0.02 . 1 . . . 84 HIS HA . 17175 1 977 . 1 1 79 79 HIS HB2 H 1 3.18 0.02 . 2 . . . 84 HIS HB2 . 17175 1 978 . 1 1 79 79 HIS HB3 H 1 3.1 0.02 . 2 . . . 84 HIS HB3 . 17175 1 979 . 1 1 79 79 HIS C C 13 174.1 0.2 . 1 . . . 84 HIS C . 17175 1 980 . 1 1 79 79 HIS CA C 13 55.2 0.2 . 1 . . . 84 HIS CA . 17175 1 981 . 1 1 79 79 HIS CB C 13 29.1 0.2 . 1 . . . 84 HIS CB . 17175 1 982 . 1 1 79 79 HIS N N 15 119.9 0.2 . 1 . . . 84 HIS N . 17175 1 983 . 1 1 80 80 HIS H H 1 8.69 0.02 . 1 . . . 85 HIS H . 17175 1 984 . 1 1 80 80 HIS HA H 1 4.65 0.02 . 1 . . . 85 HIS HA . 17175 1 985 . 1 1 80 80 HIS HB2 H 1 3.18 0.02 . 2 . . . 85 HIS HB2 . 17175 1 986 . 1 1 80 80 HIS HB3 H 1 3.12 0.02 . 2 . . . 85 HIS HB3 . 17175 1 987 . 1 1 80 80 HIS C C 13 174 0.2 . 1 . . . 85 HIS C . 17175 1 988 . 1 1 80 80 HIS CA C 13 55.3 0.2 . 1 . . . 85 HIS CA . 17175 1 989 . 1 1 80 80 HIS CB C 13 29.3 0.2 . 1 . . . 85 HIS CB . 17175 1 990 . 1 1 80 80 HIS N N 15 120.6 0.2 . 1 . . . 85 HIS N . 17175 1 991 . 1 1 81 81 HIS H H 1 8.56 0.02 . 1 . . . 86 HIS H . 17175 1 992 . 1 1 81 81 HIS HA H 1 4.61 0.02 . 1 . . . 86 HIS HA . 17175 1 993 . 1 1 81 81 HIS HB2 H 1 3.19 0.02 . 2 . . . 86 HIS HB2 . 17175 1 994 . 1 1 81 81 HIS HB3 H 1 3.19 0.02 . 2 . . . 86 HIS HB3 . 17175 1 995 . 1 1 81 81 HIS C C 13 173.5 0.2 . 1 . . . 86 HIS C . 17175 1 996 . 1 1 81 81 HIS CA C 13 55.4 0.2 . 1 . . . 86 HIS CA . 17175 1 997 . 1 1 81 81 HIS CB C 13 29.3 0.2 . 1 . . . 86 HIS CB . 17175 1 998 . 1 1 81 81 HIS N N 15 120.8 0.2 . 1 . . . 86 HIS N . 17175 1 999 . 1 1 82 82 HIS H H 1 8.41 0.02 . 1 . . . 87 HIS H . 17175 1 1000 . 1 1 82 82 HIS HA H 1 4.41 0.02 . 1 . . . 87 HIS HA . 17175 1 1001 . 1 1 82 82 HIS HB2 H 1 3.2 0.02 . 2 . . . 87 HIS HB2 . 17175 1 1002 . 1 1 82 82 HIS HB3 H 1 3.1 0.02 . 2 . . . 87 HIS HB3 . 17175 1 1003 . 1 1 82 82 HIS CA C 13 57.1 0.2 . 1 . . . 87 HIS CA . 17175 1 1004 . 1 1 82 82 HIS CB C 13 29.6 0.2 . 1 . . . 87 HIS CB . 17175 1 1005 . 1 1 82 82 HIS N N 15 125.7 0.2 . 1 . . . 87 HIS N . 17175 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_Nnoesy.list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Nnoesy.list _Spectral_peak_list.Entry_ID 17175 _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 3 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 105.094 2.754 8.761 4516048 105.131 4.423 8.762 21251030 105.131 1.591 8.766 5269592 105.140 9.409 8.758 13798441 105.143 3.502 8.761 36716380 105.145 7.595 8.760 22114438 105.157 5.163 8.760 5132041 105.159 3.932 8.762 28138138 105.540 3.811 7.771 5965903 105.579 4.302 7.772 6062310 105.594 1.146 7.771 23974772 105.604 7.768 7.771 48967548 105.604 3.314 7.778 2524105 105.604 3.105 7.777 1977390 105.606 4.562 7.767 9551823 105.611 7.882 7.772 19834306 105.613 8.292 7.768 7914436 106.990 1.224 7.741 10613273 107.004 1.877 7.738 45749452 107.004 4.057 7.742 50173944 107.004 1.661 7.743 15457066 107.006 1.504 7.738 15306535 107.010 3.824 7.738 136803904 107.011 4.116 7.738 128431936 107.017 7.886 7.739 91143776 107.019 8.261 7.739 76897000 107.020 4.633 7.738 18436660 107.021 1.594 7.738 20512498 107.037 4.191 7.737 75050496 107.297 4.196 7.456 8111416 107.319 8.340 7.460 6240900 107.339 1.362 7.460 44751352 107.341 8.098 7.461 19240116 107.344 5.485 7.460 5748533 107.344 0.747 7.460 13073030 107.351 9.606 7.460 31447932 107.351 4.296 7.454 3195056 107.351 3.833 7.456 2867265 107.351 1.261 7.464 12495076 107.351 1.573 7.462 12302017 107.362 1.722 7.459 10518045 107.362 1.504 7.459 16035821 107.365 4.546 7.462 12721139 107.368 1.830 7.463 10893542 107.713 2.526 8.231 8977034 107.736 9.067 8.239 7712902 107.758 3.882 8.235 41251068 107.763 2.385 8.233 16279891 107.763 2.955 8.230 4348870 107.763 7.160 8.233 4516490 107.765 4.288 8.234 33817920 107.766 7.736 8.235 56704280 107.766 2.098 8.234 22231572 107.767 4.458 8.234 20807016 107.768 8.794 8.243 6733184 107.787 8.163 8.236 46640416 107.796 4.148 8.236 13831744 108.814 0.962 6.881 41241812 108.821 1.843 6.883 12001548 108.826 2.533 6.882 52994552 108.833 6.398 6.882 57677188 108.835 1.124 6.882 21508654 108.835 1.334 6.883 14794714 108.836 2.690 6.881 48112996 108.840 0.363 6.882 25169644 108.846 0.812 6.881 15393018 108.852 1.566 6.880 11928501 109.950 8.948 7.898 5894726 109.994 1.752 7.898 16505301 109.998 8.464 7.894 6913500 109.998 1.518 7.899 16565296 110.000 4.239 7.897 73535088 110.000 4.150 7.897 15684216 110.000 4.276 7.895 41887644 110.004 2.002 7.896 17776930 110.011 0.913 7.898 9636105 110.465 1.822 8.327 4084607 110.534 4.514 8.329 12276294 110.557 3.674 8.337 9675565 110.559 8.452 8.330 12206857 110.570 1.540 8.335 10022038 110.579 1.067 8.333 7553492 110.581 4.395 8.331 19199460 110.586 0.966 8.325 7032848 110.939 3.012 6.942 6231150 110.979 2.999 7.533 7294854 110.993 3.550 6.933 4770117 111.019 3.552 7.536 5270612 111.101 6.935 7.546 28809178 111.101 5.059 7.532 3178992 111.109 7.549 6.943 26098722 111.670 8.287 7.352 9226960 111.688 4.689 7.357 8013077 111.698 2.601 7.357 5204674 111.723 4.224 7.353 6526087 111.743 4.686 8.284 11863700 111.743 3.821 8.286 30672428 111.746 3.326 8.284 7564769 111.754 3.120 8.285 6078921 111.756 7.347 8.285 20239130 111.756 2.589 8.283 3009072 111.756 3.067 8.289 3823262 111.756 5.922 8.279 2398914 111.782 7.772 8.285 11375218 111.918 7.362 7.365 463564256 111.918 1.773 7.357 2454576 111.918 2.333 7.360 9126531 111.918 2.763 7.360 2834391 111.924 2.661 6.957 14270785 111.928 2.655 7.563 19270156 111.933 7.564 6.956 184204592 111.942 6.954 7.562 211857984 111.961 2.774 7.562 20348962 111.961 2.771 6.956 13171809 112.115 4.658 7.055 4706000 112.119 9.534 7.060 5476674 112.142 7.060 7.793 228301936 112.144 7.786 7.059 232254096 112.160 9.544 7.793 4943558 112.163 3.018 7.792 26233700 112.163 2.965 7.792 25518854 112.163 3.018 7.056 22531290 112.163 2.971 7.056 22007894 112.380 2.131 7.361 6537997 112.396 3.637 6.902 6713689 112.401 0.425 6.908 14564343 112.401 7.360 6.908 742412416 112.404 6.900 7.362 920481664 112.406 3.642 7.368 7087000 112.412 0.431 7.363 13578416 112.413 -0.291 6.906 4927872 112.436 1.476 7.360 7704692 112.439 2.444 6.910 24112570 112.439 2.382 6.908 27721640 112.439 2.379 7.365 63338024 112.439 2.438 7.365 52259016 112.471 1.464 6.914 6087352 112.492 4.413 7.622 3266975 112.495 2.114 6.919 5390688 112.580 5.077 6.710 6733252 112.580 7.310 6.712 8387868 112.590 8.337 6.714 4455826 112.592 2.734 7.360 4429566 112.624 2.759 6.710 18549872 112.626 4.429 6.722 3492716 112.628 3.090 6.710 15712215 112.630 3.094 7.630 18222118 112.634 7.631 6.710 273064384 112.636 6.715 7.629 228597184 112.639 5.077 7.624 4606949 112.639 7.325 7.626 13207358 112.668 2.756 7.630 22757346 112.670 8.315 7.624 3483621 112.714 2.841 7.576 40393904 112.715 2.729 7.577 63249644 112.718 2.731 6.931 27107910 112.730 2.844 6.931 14665871 112.740 4.701 6.932 10220264 112.746 4.682 7.576 9645995 112.746 6.928 7.571 1022112896 112.746 7.579 6.930 901740480 112.813 2.971 9.140 11755073 112.824 1.267 9.141 24859382 112.829 4.804 9.141 67511256 112.829 9.231 9.145 14698640 112.829 5.103 9.139 3615828 112.829 4.419 9.138 2388636 112.829 8.094 9.141 3954239 112.832 3.078 9.140 12271958 112.834 7.152 9.143 6464521 112.839 8.155 9.138 6332852 112.855 5.466 9.142 10425109 112.861 1.543 9.140 6754166 112.866 2.790 9.141 5534728 115.304 4.791 7.478 9247209 115.319 9.167 7.479 6461526 115.322 6.007 7.476 8692995 115.323 4.378 7.480 15355831 115.329 5.506 7.481 9787937 115.333 8.207 7.478 31825476 115.343 9.015 7.479 15728775 115.347 1.517 7.479 28185722 115.348 1.023 7.480 17141208 115.348 4.524 7.477 12743958 115.349 0.801 7.477 25336718 115.349 1.823 7.477 16021467 115.360 0.606 7.478 5507622 115.362 1.403 7.477 32173038 115.362 1.350 7.479 33384580 115.362 1.262 7.477 13381142 115.551 2.644 7.419 5369858 115.604 1.363 7.425 24720540 115.607 1.576 7.426 14291181 115.607 4.525 7.428 6317158 115.615 1.115 7.411 6347272 115.618 0.978 7.423 10814039 115.630 1.850 7.424 26498366 115.641 9.011 7.424 15457094 115.641 9.265 7.426 5632346 115.645 0.337 7.423 28671576 115.645 5.999 7.427 2727101 115.649 8.445 7.423 34408496 115.649 3.727 7.423 9995521 115.662 2.117 7.420 7433252 115.662 4.244 7.420 16716366 115.662 1.928 7.424 8974417 115.662 4.294 7.424 20776926 115.690 2.216 7.421 7382924 115.843 9.412 8.317 18685364 115.844 4.558 8.316 39446560 115.857 4.175 8.314 20306564 115.857 5.064 8.315 223410992 115.857 7.314 8.315 18260372 115.860 1.131 8.315 67342704 115.861 4.430 8.314 20636950 115.863 7.893 8.317 25042360 115.869 3.637 8.217 10781202 115.870 8.201 8.308 48367088 115.880 1.233 8.219 17391874 115.881 3.322 8.213 4297724 115.883 2.753 8.308 7828430 115.887 4.224 8.216 37861012 115.887 2.648 8.217 55994884 115.888 1.473 8.217 37804320 115.888 3.104 8.313 46948988 115.888 3.154 8.313 33227724 115.891 2.756 8.217 53988652 115.892 -0.292 8.218 28017552 115.897 3.764 8.217 10335223 115.898 7.519 8.218 52797708 115.900 7.794 8.217 39858812 115.904 0.423 8.216 29980240 115.904 7.655 8.217 7814596 115.909 6.951 8.215 7510906 115.921 6.711 8.309 5105180 116.122 8.223 7.661 7508886 116.134 4.056 7.654 18298114 116.143 2.791 7.426 10106033 116.143 4.789 7.426 9889982 116.144 3.017 7.656 48076568 116.144 2.622 7.654 21218026 116.144 1.972 7.425 8584697 116.145 7.520 7.655 74504512 116.145 7.143 7.655 31027534 116.145 3.305 7.655 42985164 116.145 0.813 7.660 8479789 116.150 7.898 7.655 72974136 116.150 0.425 7.654 12242865 116.150 7.000 7.657 7128660 116.151 1.224 7.655 71900152 116.151 7.152 7.428 10526023 116.153 4.616 7.656 45957592 116.153 4.205 7.655 14172045 116.155 4.636 7.425 28921790 116.162 2.690 7.428 16644957 116.165 1.869 7.659 12432581 116.167 1.628 7.656 12473569 116.168 7.876 7.426 7605300 116.174 -0.298 7.653 7321989 116.209 3.762 7.427 6861923 116.912 1.671 8.103 7829084 116.923 2.422 8.099 9948749 116.925 4.354 8.099 33041460 116.933 8.340 8.099 33838476 116.937 2.062 8.336 38813820 116.940 4.068 8.108 8202770 116.942 8.709 8.092 5793524 116.942 1.750 8.101 3135964 116.942 2.575 8.099 3145051 116.942 -0.301 8.115 2130165 116.944 2.048 8.098 23073572 116.945 3.646 8.098 8972416 116.945 3.764 8.099 28699532 116.946 7.470 8.100 31514788 116.946 3.903 8.096 10825837 116.949 1.239 8.097 28568002 116.950 2.571 8.335 22158770 116.951 2.427 8.337 24754820 116.952 2.096 8.101 19801252 116.953 2.121 8.335 42891484 116.963 4.078 8.331 6775618 116.964 8.096 8.337 23755750 116.965 3.640 8.336 24280358 116.966 8.711 8.336 21598026 116.970 7.797 8.100 7036574 116.974 3.725 8.334 13608406 116.992 6.332 8.334 8681736 116.992 4.643 8.338 4272916 116.992 8.951 8.336 3148370 116.992 4.346 8.338 2004353 116.992 7.472 8.325 3253567 116.992 -0.295 8.340 3078446 117.056 5.072 7.745 5508489 117.108 4.464 7.740 33506034 117.110 3.550 7.731 6014174 117.112 2.388 7.739 50965976 117.112 2.958 7.738 2228952 117.112 8.161 7.740 15780037 117.113 2.092 7.739 55740448 117.114 4.143 7.739 18925482 117.114 9.067 7.738 20148986 117.127 8.228 7.740 53027684 117.234 8.219 7.789 33958080 117.250 0.424 7.798 28322672 117.252 1.657 7.797 27621454 117.253 3.333 7.796 8229484 117.254 1.841 7.797 7910295 117.255 3.640 7.797 13879310 117.255 7.479 7.796 27401552 117.264 1.472 7.797 35474800 117.265 2.617 7.797 25418394 117.266 -0.292 7.797 54712476 117.280 3.751 7.797 7194854 117.328 1.230 7.798 6121030 117.468 8.193 9.013 5516318 117.469 1.027 9.014 15458621 117.486 9.318 9.023 4405146 117.487 1.368 9.012 12853758 117.502 1.810 9.010 12294242 117.504 5.289 9.012 7806246 117.505 0.775 9.016 8869979 117.505 9.608 9.011 3628646 117.511 5.493 9.014 24658050 117.517 7.481 9.013 12512970 117.517 2.121 9.009 3103185 117.524 1.516 9.014 8940285 117.544 1.245 9.013 8269352 117.649 2.032 8.935 8489282 117.650 8.268 8.936 5002182 117.669 4.708 8.935 11527975 117.686 4.162 8.933 15736964 117.688 1.658 8.934 12132470 117.690 9.152 8.934 13287760 117.699 1.165 8.935 7984691 117.700 4.795 8.937 10664860 117.700 5.521 8.941 3349592 117.700 7.896 8.935 3992159 117.700 5.259 8.944 2637810 117.702 0.885 8.934 59796488 117.720 4.271 8.933 19010168 117.728 1.537 8.933 17236684 117.859 6.942 7.891 18457972 117.867 1.130 7.890 35882780 117.868 8.320 7.893 19413402 117.868 4.325 7.891 4820251 117.868 9.405 7.896 4020252 117.872 4.557 7.891 103237504 117.873 5.552 7.890 18168838 117.888 8.381 7.894 10240778 117.895 4.170 7.891 45193964 117.917 2.475 7.892 8012658 117.928 3.069 7.894 11995523 117.944 8.204 9.002 6381412 117.972 1.332 9.004 12935492 117.982 0.996 9.010 18085316 117.996 5.511 9.006 24023682 117.999 1.553 9.006 10177967 117.999 2.776 9.003 11352473 117.999 6.010 9.007 3619478 118.001 4.847 9.007 7984270 118.001 9.008 9.006 69547040 118.002 0.344 9.003 15049633 118.005 0.792 9.004 13283704 118.007 2.653 9.003 16257652 118.010 7.420 9.004 14360347 118.018 1.835 9.015 5665491 118.025 1.116 9.007 9811535 118.028 1.067 8.436 12305913 118.029 8.070 9.635 5083342 118.029 4.098 9.631 3286206 118.038 4.723 8.438 86534400 118.039 0.961 8.436 11784279 118.049 1.713 8.440 29709312 118.054 1.816 8.441 22733916 118.054 1.910 8.441 23234898 118.054 1.462 8.437 28603698 118.057 6.824 8.446 4404799 118.057 4.391 8.436 14445081 118.057 7.890 8.441 4038066 118.071 4.592 9.631 6889715 118.089 5.116 9.629 12606634 118.111 0.820 9.630 8061487 118.176 1.732 9.645 4230105 118.176 1.626 9.638 2769421 118.176 2.569 9.638 2769720 118.176 8.712 9.635 2130202 118.231 1.227 7.895 9528892 118.253 0.419 7.888 8841656 118.253 4.054 7.895 6642516 118.253 4.628 7.895 13696130 118.253 1.667 7.891 23548576 118.263 4.195 7.894 44223532 118.267 1.491 7.893 24118614 118.271 1.876 7.893 59529108 118.271 8.226 7.899 7410005 118.274 2.994 7.894 15601790 118.284 1.608 7.893 33529662 118.285 3.300 7.894 12733971 118.286 7.524 7.896 9535543 118.287 7.143 7.888 6795724 118.294 2.619 7.896 5428857 118.516 6.928 9.069 4669124 118.532 2.422 9.074 41954704 118.533 2.089 9.074 84697744 118.533 3.018 9.074 40493220 118.533 5.064 9.074 62072968 118.534 7.541 9.072 11073308 118.536 7.736 9.073 30000040 118.538 3.546 9.074 46163120 118.542 4.145 9.073 37845156 118.547 5.105 8.341 19484586 118.547 8.782 8.356 11793618 118.558 4.549 8.344 60031032 118.558 7.454 8.346 4245332 118.558 1.264 8.348 4824094 118.565 8.791 9.073 10555044 118.580 3.829 8.342 29220042 118.580 2.526 8.341 6245600 118.580 2.108 8.347 13077527 118.580 1.949 8.345 26104498 118.580 1.890 8.345 30039248 118.582 5.552 8.376 40037616 118.582 9.281 8.373 2950691 118.586 6.926 8.379 10532938 118.590 5.146 8.374 10020664 118.590 1.819 8.374 36094660 118.590 1.769 8.376 23613826 118.590 1.925 8.374 43056336 118.590 2.099 8.376 12536371 118.600 0.111 8.378 21043366 118.611 2.487 8.375 13331496 118.612 3.700 8.376 7008913 118.613 7.912 8.380 8066810 118.617 1.869 8.267 15996268 118.617 4.348 8.370 20944072 118.617 8.839 8.371 28420922 118.627 2.841 8.264 92881600 118.627 4.690 8.263 206526560 118.627 4.623 8.267 27451344 118.627 4.184 8.265 39841096 118.627 6.933 8.263 5339928 118.627 7.602 8.265 10984975 118.628 3.823 8.264 114336608 118.629 7.736 8.264 93365328 118.629 4.114 8.264 98223416 118.630 2.726 8.264 122242536 118.636 1.570 8.264 17662116 118.711 1.877 8.372 79678928 118.726 3.057 8.373 118631448 118.728 4.622 8.371 112282744 118.735 4.158 8.373 230028272 118.738 7.211 8.374 11856115 118.741 3.167 8.372 61039164 118.749 2.223 8.374 10289026 118.749 2.140 8.371 17658458 118.856 6.346 8.707 5568978 118.874 0.926 8.707 7428838 118.881 0.803 8.709 5483315 118.909 8.072 8.708 12457165 118.909 3.738 8.703 10903807 118.914 2.571 8.707 31442688 118.918 2.452 8.702 8949187 118.925 2.091 8.707 6366294 118.925 3.927 8.705 2595300 118.934 1.748 8.710 7744273 118.975 8.336 8.708 12332805 119.055 3.081 8.518 118105584 119.057 3.182 8.518 84504392 119.058 4.626 8.518 241471824 119.250 8.329 8.938 4973318 119.302 8.728 8.946 5288892 119.314 9.536 8.946 26272400 119.316 2.511 8.949 17201814 119.320 2.999 8.948 39986076 119.323 2.344 8.947 21883296 119.326 7.788 8.952 4283216 119.328 2.010 8.948 39231440 119.329 4.084 8.947 33928468 119.330 1.724 8.950 5410268 119.330 2.109 8.948 48683232 119.332 8.063 8.948 21857484 119.355 4.626 8.945 15557235 119.361 4.545 8.945 11042315 119.842 3.182 8.661 52057256 119.842 3.100 8.661 60658136 119.852 4.638 8.662 154021456 120.024 9.082 7.959 13113833 120.067 1.542 7.961 15464147 120.067 4.864 7.959 6515218 120.067 1.599 7.961 12879162 120.071 3.926 7.960 35891968 120.072 2.240 7.955 8684602 120.074 4.799 7.960 18567134 120.075 8.780 7.962 7951578 120.087 0.951 7.962 34327916 120.095 1.555 8.354 78342440 120.100 1.659 7.959 16221013 120.118 0.809 8.351 27256718 120.119 4.584 7.965 9340677 120.123 1.872 8.339 264590576 120.123 2.146 8.343 47619348 120.123 2.220 8.341 62988964 120.123 4.159 8.339 130870984 120.123 4.212 8.341 272906336 120.248 4.251 8.338 458667936 120.255 1.339 8.338 123311408 120.283 4.212 8.337 302254432 120.283 1.963 8.339 97960328 120.283 1.863 8.341 276782560 120.283 2.229 8.337 64470388 120.283 2.155 8.337 47047376 120.398 2.851 8.625 16108587 120.409 1.669 8.629 16657279 120.410 2.341 8.630 15792164 120.410 2.234 8.625 17336438 120.419 9.068 8.631 9184003 120.420 6.537 8.628 21278272 120.423 1.533 8.627 17526198 120.434 4.798 8.627 50807000 120.434 7.976 8.626 2299402 120.434 9.328 8.631 2879498 120.434 2.990 8.626 6173422 120.438 0.930 8.626 7313918 120.455 4.521 8.630 10504824 120.498 1.851 8.089 14152193 120.508 1.717 8.093 5454218 120.532 1.557 8.092 22726856 120.532 1.263 8.089 30255402 120.533 1.360 8.090 17274246 120.533 5.306 8.091 8597619 120.537 5.460 8.091 40190576 120.540 4.410 8.089 13699978 120.540 7.464 8.091 19553388 120.549 5.109 8.089 10122042 120.549 9.605 8.094 4048269 120.595 4.655 8.687 126880888 120.601 3.123 8.687 47484620 120.615 3.177 8.685 39708200 120.652 3.114 8.081 5385830 120.708 4.638 9.227 5731818 120.733 7.075 9.220 5371400 120.736 4.463 8.159 5806074 120.739 3.190 8.581 100859952 120.743 4.648 8.581 185556736 120.743 4.612 8.580 139333888 120.747 2.096 8.165 19390006 120.747 3.544 8.167 1901477 120.747 3.029 8.163 23176984 120.747 2.772 8.163 4716228 120.749 3.882 8.160 10098395 120.749 5.094 8.163 5421330 120.751 2.379 8.164 14150308 120.751 8.790 8.163 13163510 120.758 5.883 9.222 25096752 120.759 6.930 8.166 9023577 120.760 2.789 9.222 7044230 120.761 4.803 8.163 19681428 120.763 7.159 8.165 36613348 120.764 9.224 9.225 51805164 120.765 7.733 8.163 16731336 120.765 4.296 8.169 10025473 120.766 3.078 8.162 27529842 120.766 2.967 8.163 35593440 120.773 1.541 9.224 20840612 120.780 8.234 8.157 58143024 120.798 1.968 8.162 8090214 120.800 5.301 9.222 7742542 120.800 9.140 9.226 11573961 120.800 1.261 9.220 2484346 120.800 7.534 9.220 3108875 120.800 7.422 9.217 3138018 120.801 2.691 9.228 7398986 120.812 9.131 8.161 8694316 121.029 7.044 9.543 5649178 121.037 1.680 9.545 6708546 121.047 2.997 9.544 45481392 121.049 4.615 9.544 54964440 121.069 8.950 9.546 15302726 121.070 4.099 9.546 13501866 121.070 6.535 9.541 3247182 121.070 8.073 9.535 4490150 121.070 2.569 9.550 2367596 121.084 4.539 9.545 25065644 121.117 1.340 8.205 33344874 121.120 5.064 8.206 111272936 121.125 4.226 8.206 429937120 121.129 7.312 8.206 38838440 121.130 1.960 8.207 63029976 121.135 1.130 8.206 21432994 121.138 8.330 8.207 196381296 121.150 3.157 8.205 173268400 121.150 3.101 8.207 212494256 121.150 2.223 8.207 15076812 121.150 2.161 8.207 10936760 121.150 1.860 8.207 39907724 121.500 4.588 8.058 5711277 121.516 4.087 8.063 6337119 121.550 1.148 7.879 9255470 121.553 1.907 7.874 10713472 121.557 8.340 8.057 5608160 121.558 3.920 8.054 8884346 121.562 2.006 8.447 21608550 121.564 2.103 8.056 16662839 121.565 7.781 7.875 20739478 121.565 7.412 7.876 10801407 121.566 2.687 7.879 5195660 121.567 8.955 8.056 12686665 121.567 9.640 8.056 6084493 121.568 2.017 8.060 11940621 121.570 8.709 8.058 14626774 121.571 1.529 8.447 56728400 121.572 4.509 8.448 31689642 121.575 3.666 8.447 36010052 121.577 4.569 7.875 8266711 121.578 1.768 8.446 32076162 121.579 1.740 8.062 10117005 121.581 1.494 7.875 28993490 121.583 7.913 8.452 6251231 121.584 4.236 8.447 19040006 121.584 1.731 7.877 7451994 121.594 2.943 8.449 5352753 121.596 4.718 7.877 18054594 121.600 2.511 8.057 15262015 121.600 2.582 8.056 15425227 121.623 8.455 7.860 6864710 121.630 4.274 7.870 5172798 121.644 -0.290 7.475 6588398 121.655 8.340 8.453 12129317 121.669 8.336 7.469 4731930 121.674 1.866 7.469 11839961 121.683 1.979 7.472 20194254 121.684 8.101 7.468 21690898 121.686 1.656 7.469 34575416 121.688 0.746 7.469 20904292 121.689 4.359 7.471 13312708 121.692 3.749 7.473 12690913 121.695 7.793 7.468 24545086 121.695 3.921 7.478 2841399 121.695 8.706 7.469 2227200 121.697 3.335 7.467 19160260 121.700 1.490 7.464 5736259 121.721 3.644 7.478 6398449 121.731 2.597 7.474 5283940 121.731 1.230 7.466 22256472 121.916 8.393 8.843 10884196 121.929 9.089 8.841 4886634 121.938 0.109 8.842 24233248 121.951 1.824 8.837 5645280 121.951 4.526 8.841 25205730 121.951 1.367 8.859 2899583 121.951 3.933 8.836 2718581 121.965 0.985 8.842 11014504 121.966 4.574 8.842 18009168 121.966 3.681 8.835 10815613 121.966 3.578 8.836 10427984 121.966 3.727 8.836 10331883 121.966 1.617 8.850 5049627 121.973 2.121 8.847 6399720 121.994 3.328 7.513 14863709 121.996 0.418 7.509 4601295 122.000 7.902 7.512 12182089 122.003 3.757 7.510 6324011 122.028 2.651 7.512 24834520 122.028 4.056 7.513 44924700 122.028 0.609 7.515 11754462 122.029 0.801 7.511 8057226 122.030 1.507 7.512 7813283 122.030 8.218 7.512 40675120 122.033 2.754 7.513 23337670 122.034 4.220 7.513 16591187 122.036 1.225 7.513 128273984 122.041 7.651 7.512 55423492 122.055 1.645 7.514 8409089 122.182 8.705 9.340 8468218 122.191 5.882 9.334 10149736 122.203 1.264 9.340 5549798 122.204 5.489 9.336 8322463 122.205 1.841 9.341 6648053 122.205 1.714 9.340 2853282 122.205 1.502 9.338 5511922 122.205 0.742 9.336 3161215 122.205 8.085 9.333 2919288 122.205 0.845 9.336 3098998 122.212 2.122 9.335 4094130 122.219 5.297 9.336 24490132 122.230 4.794 9.340 11461974 122.234 0.800 8.352 32450562 122.238 1.561 8.351 265107472 122.242 4.690 8.351 183802768 122.243 4.203 8.351 109044472 122.243 7.068 9.335 7672811 122.243 4.617 8.351 24575056 122.243 7.139 8.348 3358570 122.243 6.918 8.351 4942523 122.243 1.871 8.349 10627741 122.247 2.730 8.350 28493286 122.248 2.841 8.350 30713408 122.249 1.551 9.337 13596483 122.273 0.861 8.348 26979060 123.059 1.397 8.475 26442548 123.063 4.259 8.473 519434912 123.070 1.959 8.473 148328384 123.075 4.415 8.475 84062184 123.075 1.641 8.473 13832507 123.082 9.317 8.264 5114173 123.099 0.907 8.265 22066280 123.101 1.669 8.263 23069148 123.101 8.936 8.261 5491162 123.103 2.579 8.476 36378536 123.103 2.514 8.476 43044372 123.103 2.049 8.472 60901084 123.103 1.766 8.472 40083036 123.103 1.701 8.470 29344416 123.105 3.789 8.265 27672524 123.108 1.154 8.265 16582195 123.110 4.697 8.263 40925760 123.110 1.383 8.264 15181917 123.120 5.267 8.259 6808654 123.148 1.535 8.262 11112752 123.759 2.869 9.406 6428841 123.771 2.755 9.399 9776147 123.772 8.319 9.404 10804234 123.782 8.770 9.403 15969047 123.784 5.552 9.406 11812999 123.784 5.168 9.405 41405032 123.791 4.425 9.405 44146132 123.794 3.073 9.406 17995486 123.796 7.272 9.405 7447586 123.801 1.134 9.408 7917894 123.801 4.169 9.405 4303926 123.801 4.546 9.401 4035722 123.801 7.887 9.405 2524430 123.801 7.628 9.406 2088979 123.806 2.765 7.589 9441250 123.816 3.079 7.590 8459553 123.816 4.422 7.586 12146598 123.820 3.923 7.589 22353466 123.832 3.505 7.589 20289632 123.835 4.561 7.590 41355948 123.838 8.773 7.589 49206972 123.839 1.587 7.589 144496496 123.860 3.584 7.592 13170358 123.957 4.858 9.080 10501908 123.959 8.639 9.072 5196982 123.988 2.343 9.077 7453908 123.990 2.767 9.078 13051565 123.992 6.538 9.078 6648742 123.992 4.525 9.077 33375384 124.001 2.561 9.076 12835679 124.009 9.225 9.086 8453129 124.010 1.005 9.077 17045740 124.010 5.277 9.080 4430746 124.010 5.512 9.079 2569738 124.011 2.847 9.078 6213664 124.037 5.597 9.077 8435374 124.055 0.837 9.062 3448680 124.143 3.554 8.781 7474754 124.178 6.933 8.784 4161515 124.184 1.260 8.782 10138013 124.205 5.096 8.782 55984528 124.205 3.021 8.782 14668572 124.205 8.338 8.782 7680799 124.207 5.060 8.785 37772012 124.207 2.533 8.780 12633836 124.210 5.457 8.781 10399151 124.216 2.106 8.780 15992975 124.219 4.251 8.482 103573320 124.219 1.764 8.482 141560032 124.219 1.701 8.483 162139936 124.220 8.157 8.785 9632394 124.221 1.401 8.483 62017388 124.222 4.320 8.483 370264448 124.222 1.652 8.484 62248972 124.240 1.893 8.779 11000476 124.240 1.952 8.779 11813050 124.259 9.074 8.783 5704789 124.358 4.807 7.517 16021470 124.358 9.231 7.519 2440696 124.358 5.878 7.522 3127516 124.368 1.540 7.518 25102342 124.369 7.522 7.519 45675340 124.382 1.665 7.515 7704570 124.400 0.924 7.519 8171862 124.441 1.264 8.707 5408044 124.544 0.862 8.708 20184740 124.576 5.529 8.707 23480638 124.589 1.001 8.695 5185734 124.602 9.346 8.717 5826198 124.602 4.813 8.709 7313792 124.602 9.146 8.725 3143050 124.602 7.519 8.710 3619135 124.602 2.038 8.696 2203722 124.602 5.875 8.705 2424610 124.634 1.658 8.712 6047498 124.639 5.286 8.705 7887755 124.851 9.245 9.246 41493196 124.851 5.520 9.248 10670727 124.852 1.015 9.245 21812382 124.852 8.214 9.248 2899987 124.852 1.817 9.250 3203101 124.852 2.648 9.252 3007655 124.852 2.784 9.248 3628821 124.852 4.517 9.259 3927363 124.852 4.861 9.259 2722209 124.852 2.569 9.248 2645726 124.866 5.286 9.245 20314294 124.876 9.041 9.236 9099542 124.884 0.840 9.264 4699918 124.949 1.115 9.091 8430844 124.964 1.342 9.092 7538576 124.964 3.936 9.093 4044191 124.964 1.543 9.093 6811270 124.964 2.563 9.086 4480418 124.964 2.754 9.090 3050058 124.967 1.607 9.092 16607473 124.973 1.728 9.245 4380260 124.979 2.545 8.690 7883722 124.981 2.125 8.691 24957040 124.981 0.987 9.091 28792240 124.982 4.523 9.092 14482373 124.987 7.967 9.090 15730571 124.987 4.108 8.691 134394384 124.989 4.328 8.690 38590064 124.991 8.693 8.691 2477603584 125.003 4.859 9.090 37609420 125.009 1.385 8.690 22384790 125.010 1.761 8.692 45857196 125.010 1.702 8.691 51637664 125.011 0.107 9.090 11171744 125.021 0.354 9.094 7191386 125.492 2.513 8.340 13743625 125.518 4.268 8.337 101168424 125.522 1.339 8.339 297072896 125.523 4.415 8.339 420596288 125.523 1.949 8.338 26495340 125.534 2.041 8.339 48237108 125.556 2.576 8.341 9231947 125.635 4.612 8.399 211855296 125.637 3.197 8.398 96527784 125.639 3.100 8.397 50587244 125.641 4.410 8.385 68338032 125.746 0.754 9.609 6769259 125.746 0.801 9.609 4742883 125.790 7.469 9.608 7976826 125.794 4.794 9.606 9205954 125.794 1.426 9.603 6330895 125.794 4.207 9.618 2748018 125.794 5.477 9.600 2379666 125.794 1.255 9.611 3446439 125.800 1.371 9.604 9098599 125.802 9.603 9.605 17427674 125.810 1.501 9.603 7495899 125.905 1.736 8.757 8242482 125.905 3.668 8.755 2869742 125.905 3.582 8.755 2115716 125.905 1.591 8.755 3273512 125.905 3.848 8.755 3429035 125.934 7.969 8.752 5108956 125.940 0.949 8.753 64739484 125.945 3.920 8.751 12565474 125.946 4.256 8.754 60310540 125.952 2.312 8.754 13993888 125.956 0.604 9.174 10180819 125.975 4.375 9.168 57392408 125.986 4.152 9.168 26225278 125.987 4.797 9.166 25931456 125.990 0.809 9.168 43794256 125.994 1.359 9.168 29648988 125.994 9.602 9.167 4178849 126.007 4.604 8.754 6320170 126.009 1.259 9.170 19962270 126.051 7.474 9.168 7280677 126.185 9.257 8.220 5185912 126.185 1.826 8.215 2234197 126.185 2.657 8.217 3703382 126.193 5.509 8.212 16401078 126.210 1.523 8.212 21071464 126.210 7.481 8.212 22949290 126.210 3.031 8.213 2851777 126.210 2.784 8.211 4086936 126.214 6.013 8.214 22225134 126.223 1.399 8.214 11497821 126.227 4.527 8.212 10479133 126.231 0.820 8.214 18950358 126.231 0.788 8.214 19829032 126.235 1.010 8.216 5213606 126.258 9.005 8.211 5127010 126.272 5.613 9.309 5782988 126.272 2.846 9.314 2929853 126.272 2.248 9.314 2249026 126.272 2.321 9.316 2340707 126.272 8.639 9.322 2242738 126.272 8.265 9.324 3637720 126.284 0.835 9.318 9751603 126.290 5.123 9.319 8843728 126.294 1.870 9.320 6713621 126.306 5.272 9.315 29262544 126.306 1.649 9.317 15460322 126.308 1.384 9.316 26440298 126.313 0.918 9.318 11330449 126.323 3.779 9.318 9342814 126.719 0.799 9.263 5793010 126.767 0.330 9.263 6470198 126.794 6.011 9.262 10718840 126.808 7.434 9.253 4890684 126.809 1.846 9.260 8507178 126.815 3.031 9.260 20847130 126.816 4.294 9.260 52637172 126.819 2.783 9.260 18931882 126.820 2.237 9.259 15770106 126.839 1.940 9.261 14762168 126.839 8.211 9.268 2819662 126.839 7.101 9.270 3781859 126.840 1.566 9.263 7794865 128.208 0.104 9.303 5222626 128.226 6.949 9.292 5053694 128.233 3.715 9.297 9010165 128.236 0.234 9.295 8342099 128.238 0.327 9.295 14278410 128.247 9.298 9.166 10830434 128.249 1.317 9.293 12530641 128.254 1.907 9.299 8267670 128.254 4.336 9.295 46640784 128.256 2.078 9.299 11997236 128.259 1.458 9.297 25794356 128.260 1.004 9.297 6116743 128.267 -0.430 9.297 10309865 128.267 2.032 9.157 11799171 128.271 5.276 9.155 9046515 128.276 2.567 9.159 4860068 128.280 8.381 9.299 5822998 128.280 8.431 9.299 4712721 128.282 5.600 9.157 31961266 128.282 5.532 9.159 9934693 128.282 1.007 9.158 5935277 128.282 8.715 9.158 3965458 128.282 1.381 9.152 5696359 128.286 0.886 9.157 33906132 128.295 1.807 9.295 11780071 128.297 1.165 9.160 8022051 128.311 1.782 9.153 8908510 128.313 1.626 9.154 5736490 128.325 8.936 9.155 12552489 129.074 10.530 10.537 11076573 129.074 7.062 10.524 1933018 129.074 7.230 10.541 2354264 129.499 4.584 8.774 24217388 129.508 2.851 8.771 10717287 129.510 1.590 8.777 7001786 129.510 0.094 8.769 2706573 129.510 0.963 8.782 2666646 129.510 3.668 8.778 2413470 129.510 3.577 8.778 3090434 129.510 7.964 8.775 2629692 129.510 9.414 8.775 3013350 129.527 7.274 8.777 8993862 129.547 3.021 8.776 11139147 129.547 3.920 8.782 4802668 129.552 5.160 8.779 6476322 129.569 8.855 8.772 12592640 129.584 8.878 8.439 5237658 129.609 4.240 8.435 10932231 129.611 4.526 8.434 10819449 129.616 3.726 8.434 20282230 129.616 1.452 8.436 4907822 129.616 9.299 8.438 2794432 129.617 0.115 8.428 5186510 129.619 7.422 8.434 19848746 129.620 1.864 8.437 11783272 129.650 0.988 8.428 6409813 129.652 0.238 8.429 5926520 129.654 1.369 8.431 13300887 129.658 2.170 8.441 8087632 129.658 2.105 8.441 7022900 129.661 0.330 8.432 12817182 129.872 1.506 10.405 4119299 129.894 1.980 10.409 13923635 129.895 6.836 10.416 6582206 129.896 2.766 10.407 11066486 129.896 7.158 10.409 99204432 129.898 3.376 10.411 10409585 129.900 7.387 10.409 54357676 129.904 2.380 10.409 16484897 129.911 2.083 10.410 12974476 129.929 2.691 10.407 9039266 ; 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.Encoding_code _Spectral_dim.Encoded_source_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 N 15 NH 1 2239.901 . . 17175 1 2 H 1 H 2 10201.248 . . 17175 1 3 H 1 HN 1 15243.902 . . 17175 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 7 $SPARKY . . 17175 1 stop_ save_ save_Cnoesy_aliph.list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Cnoesy_aliph.list _Spectral_peak_list.Entry_ID 17175 _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 3 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 12.132 9.290 -0.432 18014002 12.140 1.457 -0.431 51696132 12.155 0.327 -0.430 115925832 12.163 3.301 -0.433 17707008 12.183 1.319 -0.430 53546260 12.202 3.145 -0.432 10656738 12.207 0.220 -0.430 49442996 12.218 1.009 -0.433 15568778 12.219 3.753 -0.430 11647883 13.866 6.339 0.892 10446535 13.899 5.544 0.894 22148246 13.903 2.029 0.893 81750200 13.914 0.842 0.891 1880646528 13.914 1.766 0.892 117892360 13.914 5.274 0.894 11983456 13.936 6.598 0.894 18335774 13.941 1.171 0.890 123336112 13.946 9.151 0.895 19622474 13.947 1.667 0.892 150866256 14.300 1.726 1.045 136243216 14.311 5.285 1.046 16503549 14.316 1.231 1.044 172355216 14.331 0.782 1.043 166668464 14.339 0.631 1.045 96524272 14.339 1.814 1.046 136989328 14.339 6.906 1.045 38692928 14.339 6.997 1.045 41263208 14.341 6.589 1.045 34056892 14.352 7.485 1.039 18488366 14.359 5.515 1.050 11437763 14.362 3.334 1.047 19227776 14.375 9.020 1.047 13034464 14.399 5.282 0.931 8978680 14.400 1.499 1.045 36837476 14.403 9.154 0.922 6348950 14.438 1.567 0.928 199880256 14.456 4.270 0.929 42105064 14.462 2.016 0.921 27761060 14.466 3.113 0.926 58275872 14.477 8.263 0.927 30509466 14.487 7.521 0.928 29088928 14.492 7.898 0.925 7736818 14.509 8.938 0.927 22556138 15.993 9.152 0.873 20028142 16.005 4.255 0.872 19410338 16.047 1.144 0.872 69410040 16.050 5.301 0.876 6647740 16.053 5.557 0.874 10290242 16.054 8.937 0.871 51724624 16.065 8.262 0.871 17860710 16.068 4.704 0.871 30484846 16.081 1.561 0.873 83903872 16.089 2.022 0.872 61332308 16.764 2.654 0.328 38049300 16.771 7.423 0.327 54326844 16.776 9.284 0.328 27349016 16.779 4.287 0.322 18462100 16.783 3.726 0.327 51424392 16.788 6.001 0.328 9886413 16.788 2.772 0.325 35398332 16.788 -0.427 0.326 110497736 16.800 8.444 0.327 36789876 16.810 9.009 0.325 19709462 16.814 0.225 0.327 89304256 16.815 8.973 0.846 9842541 16.822 1.452 0.326 137576752 16.822 1.298 0.325 31553502 16.828 3.052 0.327 9060255 16.830 4.521 0.326 11807774 16.844 1.002 0.326 58761148 16.855 5.510 0.328 9546403 16.866 0.890 0.843 1034264448 16.866 1.162 0.841 81072992 16.866 1.766 0.840 83733320 16.866 2.024 0.836 196769104 16.871 9.159 0.842 20304856 16.873 8.705 0.844 27279794 16.890 5.532 0.844 61973708 16.948 5.283 0.844 22930262 16.949 0.965 1.423 36549404 16.988 8.439 1.423 32884724 16.996 8.732 1.645 10836622 17.000 7.476 1.649 47057392 17.000 2.581 2.046 30146214 17.000 2.517 2.046 33379652 17.010 6.343 1.647 149214320 17.012 6.594 1.648 139354240 17.012 3.736 1.647 102810120 17.012 6.954 1.648 155220320 17.013 0.905 1.648 622844992 17.021 -0.295 1.648 92480192 17.021 0.426 1.647 46802104 17.027 3.332 1.649 49361092 17.028 7.792 1.648 38417624 17.225 2.329 1.003 16209776 17.236 8.208 1.007 8898162 17.241 6.350 1.007 11130205 17.254 6.963 1.003 29343032 17.267 7.475 1.000 25470672 17.270 9.242 1.004 44889084 17.270 5.284 1.005 67937000 17.272 1.804 1.004 136564896 17.272 0.821 1.003 245236928 17.273 6.580 1.007 90243936 17.275 1.052 1.001 1441472128 17.277 9.033 1.004 30038112 17.277 0.637 1.001 20249594 17.280 5.512 1.007 27393628 17.300 1.511 1.004 85398152 17.313 4.526 1.004 14970019 17.561 8.777 1.579 47713348 17.572 4.558 1.578 216239744 17.577 3.594 1.578 144335056 17.581 3.864 1.577 115956808 17.588 4.283 1.576 30124638 17.589 7.597 1.578 224046704 18.811 2.689 0.942 10695084 18.828 2.542 0.945 10760772 18.850 6.884 0.944 12422807 18.879 4.567 0.944 32390138 18.881 3.925 0.941 99497088 18.882 0.365 0.940 12452573 18.882 4.805 0.941 36189920 18.883 7.970 0.942 66626348 18.889 8.764 0.942 123302816 18.891 4.250 0.942 33405124 18.893 1.854 0.942 35870712 18.895 3.677 0.943 36796768 18.896 9.071 0.943 25422930 18.900 1.374 0.944 62717164 18.906 6.396 0.944 22549912 18.910 2.162 0.943 71024456 18.938 8.420 0.945 5664460 19.232 6.996 1.220 11946444 19.269 2.742 1.216 9307873 19.275 0.617 1.216 148718528 19.282 0.808 1.215 168410832 19.289 3.329 1.217 48925160 19.289 4.052 1.214 209014112 19.296 7.655 1.215 77065896 19.297 7.518 1.215 181964128 19.305 7.890 1.213 10849146 19.310 7.145 1.215 26693542 19.363 2.986 1.216 9406431 19.382 4.628 1.217 11358327 19.385 2.666 1.222 10017781 19.389 4.266 1.331 284051360 19.392 8.227 1.211 15388372 19.407 8.338 1.331 276827840 19.421 8.342 1.217 15543033 20.955 9.090 0.104 13456623 20.996 7.260 0.101 28581690 20.998 1.004 0.101 168974096 21.002 1.616 0.102 83830568 21.002 5.552 0.103 18682618 21.002 1.312 0.103 8590085 21.004 1.431 0.104 17541158 21.006 2.495 0.102 37431184 21.007 0.108 0.102 1494635904 21.010 4.523 0.103 64270592 21.012 3.721 0.104 25293698 21.013 8.856 0.102 42218092 21.014 8.401 0.101 41243304 21.029 6.936 0.102 21585314 21.032 7.152 0.101 45606344 21.040 3.044 0.104 22882148 21.064 -0.426 0.099 9026245 21.085 9.268 0.105 5475424 21.086 2.789 0.097 9574947 21.296 4.797 1.526 35060688 21.300 4.422 1.138 43475376 21.304 3.106 1.527 52500092 21.304 5.304 1.528 31458094 21.308 5.064 1.124 36509392 21.324 7.520 1.527 88051032 21.328 5.882 1.528 92872248 21.330 3.668 1.527 39095872 21.331 7.154 1.528 85164416 21.334 9.216 1.528 56761024 21.334 8.312 1.124 102540480 21.334 6.481 1.527 26948648 21.339 8.454 1.528 40355452 21.341 4.160 1.130 235063712 21.355 3.638 0.418 24587192 21.356 7.889 1.127 78208816 21.357 6.588 0.419 15121425 21.357 9.398 1.125 8772236 21.358 8.341 1.530 18462426 21.360 2.619 0.419 114226384 21.364 4.559 1.130 273378272 21.364 1.483 0.419 163232112 21.365 3.303 0.420 40727900 21.366 -0.296 0.418 272397696 21.369 8.217 0.420 45116216 21.370 4.620 0.420 16604540 21.372 7.797 0.419 61442668 21.374 2.970 0.419 96795640 21.375 4.220 0.417 35272272 21.375 1.649 0.419 107187288 21.380 4.507 1.526 29863892 21.386 7.513 0.418 13605766 21.387 7.141 0.420 32331732 21.391 4.305 1.139 202873760 21.391 4.559 1.139 260064416 21.393 6.922 0.417 19543346 21.400 1.873 0.420 28279174 21.434 7.775 1.139 52276388 21.628 3.768 1.231 106970800 21.634 0.650 1.231 63001184 21.638 8.098 1.230 27924906 21.649 4.351 1.230 88097720 21.651 4.197 1.230 77954160 21.667 7.483 1.230 37810632 21.682 0.755 1.230 112505480 21.694 3.343 1.231 19370148 21.733 2.982 -0.298 12536454 21.784 6.341 -0.292 18968884 21.821 8.219 -0.296 34729096 21.823 7.797 -0.295 128857576 21.829 0.426 -0.295 248704720 21.834 2.617 -0.294 108889968 21.834 7.498 -0.296 16670995 21.836 1.652 -0.295 59021048 21.839 1.474 -0.295 127675504 21.842 6.968 -0.296 26896220 21.845 3.641 -0.295 52931572 21.848 6.597 -0.295 46290140 21.860 7.147 -0.296 30147408 21.872 3.308 -0.295 17849842 23.019 2.539 1.260 29737594 23.025 5.105 1.259 47519628 23.030 5.460 1.259 80278560 23.035 8.093 1.260 31050332 23.035 2.109 1.259 54057688 23.036 1.906 1.260 73187768 23.039 4.414 1.260 65030892 23.044 9.139 1.261 30876920 23.076 8.785 1.261 14579154 23.162 7.460 1.264 10938813 23.359 4.798 1.353 167427152 23.364 4.154 1.351 81512024 23.366 5.471 1.353 22559964 23.371 9.157 1.354 20299610 23.371 8.087 1.354 20707448 23.375 7.465 1.351 58383280 23.384 4.418 1.352 42008988 23.400 2.115 1.350 13406011 23.412 9.606 1.354 33634500 23.517 1.347 0.996 32919648 23.614 1.609 0.999 80279232 23.615 9.162 0.803 90932856 23.615 1.350 0.810 245260928 23.615 1.262 0.812 365739744 23.615 0.614 0.812 404071264 23.615 9.011 0.802 7594645 23.622 5.520 0.998 11627448 23.627 4.374 0.800 148375376 23.636 7.505 0.803 30870806 23.636 6.997 0.806 13323262 23.639 8.851 1.001 10904331 23.642 6.426 1.003 10033026 23.652 2.607 1.001 59297112 23.654 8.432 1.001 16249471 23.654 4.362 0.738 52218648 23.654 9.266 0.995 10587984 23.654 0.221 0.999 45223040 23.661 0.110 1.000 182110224 23.663 3.338 0.734 46258952 23.664 7.472 0.733 57208328 23.672 0.317 1.001 59505048 23.677 3.336 0.803 23921646 23.678 4.794 0.734 22128796 23.678 9.065 1.000 46353272 23.681 -0.428 0.998 15498704 23.681 4.521 1.000 45066088 23.682 2.766 1.001 79214712 23.684 7.221 1.001 49075764 23.688 3.725 1.000 36947348 23.691 9.607 0.732 16909914 23.691 1.722 0.731 88070272 23.691 1.503 0.728 108115056 23.691 1.433 0.729 87116456 23.691 1.262 0.728 170158816 23.691 0.807 0.729 1391518976 23.691 0.614 0.728 223620656 23.691 4.196 0.734 108385112 23.693 6.588 0.999 12609141 23.700 7.417 1.000 6774979 23.784 1.841 0.788 28069682 23.994 6.966 0.785 22339666 24.039 4.201 0.783 157779088 24.061 0.859 0.784 2471738880 24.066 8.358 0.783 63632864 24.069 7.145 0.783 26360586 24.095 1.561 0.783 355838016 24.120 4.623 0.786 27664466 24.180 6.557 0.784 11684841 24.377 8.267 1.378 21738402 24.445 9.316 1.374 50109144 24.456 5.269 1.376 53155220 24.475 9.153 1.378 13097704 24.485 3.789 1.378 129907952 24.497 7.145 1.377 34420964 24.525 9.339 0.813 18761256 24.555 3.110 0.812 43031192 24.572 0.908 0.806 681832640 24.572 1.748 0.812 120590856 24.572 1.849 0.810 80839640 24.573 5.116 0.812 108640832 24.592 1.643 0.812 212996752 24.595 3.737 0.816 11179680 24.602 9.629 0.813 44169644 24.606 5.595 1.378 27639080 24.619 2.223 1.378 101951440 24.627 2.575 0.812 40602384 24.650 3.010 1.378 52761436 24.687 8.691 0.786 17885484 24.693 7.281 1.375 18744502 24.694 6.337 0.799 12499531 24.701 9.007 0.787 14690487 24.706 4.116 1.384 34467044 24.740 4.297 1.379 49847004 24.740 2.952 1.382 45292224 24.762 2.707 1.387 30892292 24.764 6.263 1.377 21424596 24.812 1.866 0.820 82610592 24.857 3.068 1.488 58694092 24.861 4.740 1.489 48311588 24.867 2.693 1.483 14580656 24.870 6.818 1.503 8776556 24.881 8.447 1.491 16765171 24.881 7.882 1.488 25457172 24.910 5.517 0.823 13094893 24.910 7.398 1.489 12145748 24.938 1.468 1.491 561944640 24.938 1.906 1.489 114328424 24.938 1.718 1.488 101089464 24.938 1.849 1.488 100884208 24.965 0.862 0.824 9791346688 24.965 4.205 0.823 21848026 24.982 3.803 1.492 9015937 24.988 2.212 0.824 34062200 24.991 7.487 0.820 17780206 24.993 8.216 0.820 20869394 25.000 4.524 0.826 147703504 25.000 0.781 0.824 3867645184 25.000 1.402 0.822 218249712 25.000 1.512 0.822 337039136 25.000 8.477 1.385 17452284 25.000 4.619 0.825 39007752 25.000 3.298 0.824 8606666 25.000 6.901 0.823 80477680 25.000 2.955 1.383 23016518 25.000 1.321 0.822 125785248 25.015 6.563 0.824 81009008 25.023 6.972 0.825 107161496 25.028 0.351 0.823 36656752 25.087 3.764 0.850 16486964 25.112 7.153 0.851 24316618 25.151 4.200 0.855 86652256 25.166 7.006 0.852 24755932 25.166 6.903 0.852 21503622 25.183 8.345 0.858 43619740 25.183 4.664 0.857 21271592 25.183 0.781 0.857 480125920 25.183 1.564 0.857 402638560 25.206 3.297 0.859 16178686 25.233 4.525 0.792 69642872 25.236 6.550 0.783 95033544 25.236 2.867 0.861 7026704 25.246 2.547 0.783 37984144 25.301 7.000 0.783 139846768 25.301 6.903 0.783 85269336 25.301 0.868 0.782 3565373440 25.301 0.777 0.783 6015651840 25.311 6.024 0.782 16519148 25.317 2.686 0.782 43275368 25.326 9.240 0.780 6732813 25.331 8.215 0.783 50882576 25.335 0.358 0.780 63162400 25.336 9.012 0.780 28818676 25.341 7.704 1.586 10318080 25.344 5.510 0.783 48796632 25.357 4.198 1.479 60421208 25.358 7.703 1.486 9705071 25.364 7.472 0.776 34036892 25.364 0.820 0.778 5601433088 25.364 1.402 0.778 117489176 25.369 1.879 1.584 59840196 25.369 1.879 1.479 76398240 25.369 1.577 1.479 380891264 25.369 1.499 1.586 204486624 25.369 2.965 1.582 49447900 25.369 2.965 1.486 75224928 25.383 7.898 1.581 30304124 25.383 7.899 1.488 32483742 25.385 4.196 1.582 37667148 25.400 1.318 0.780 85891912 25.468 4.197 0.743 18987252 25.487 3.011 1.658 30957678 25.488 7.978 1.661 7722217 25.491 3.102 0.741 5743035 25.491 8.638 1.668 6493110 25.491 2.230 1.659 16959502 25.491 1.674 1.662 210968288 25.491 2.230 1.495 28390876 25.491 1.669 1.495 398454976 25.491 3.009 1.493 43058064 25.491 7.982 1.493 12102938 25.491 8.643 1.493 6843630 25.525 7.466 0.741 21726180 25.525 3.817 3.134 6009571 25.531 9.614 0.742 19319538 25.531 2.549 0.742 14242042 25.531 1.718 0.742 97275544 25.531 1.499 0.742 191990576 25.531 1.433 0.742 97423360 25.531 0.732 0.740 2024173696 25.541 3.812 3.307 6454432 25.577 4.796 0.743 29297150 25.583 3.310 3.133 23630508 25.591 3.138 3.296 17469544 25.601 8.459 1.459 26131386 25.633 8.290 3.298 4522148 25.695 8.455 1.522 23038542 25.695 7.912 1.521 9929223 25.695 7.917 1.458 15231766 25.695 4.244 1.519 20549830 25.695 4.239 1.460 22518636 25.695 2.965 1.519 26559846 25.695 2.965 1.460 27284806 25.695 1.998 1.519 24835390 25.695 1.998 1.458 30294652 25.695 1.761 1.456 75753944 25.695 1.761 1.521 68004144 25.695 1.464 1.521 216890208 25.695 1.521 1.458 306205984 26.338 1.825 1.247 13878296 26.378 5.286 1.243 12054229 26.398 5.896 1.240 6504912 26.407 3.111 1.254 20724652 26.434 5.306 1.572 9211897 26.437 5.860 1.557 6162731 26.442 3.114 1.561 24620840 26.442 1.551 1.244 100736568 26.442 0.890 1.253 5353264 26.442 0.768 1.253 11883791 26.442 1.249 1.561 47990236 26.442 1.844 1.561 20741974 26.499 8.083 1.565 7048862 26.780 6.586 0.912 17634382 26.819 3.741 0.915 36185820 26.822 5.518 1.158 6227094 26.831 6.344 0.913 54380316 26.834 2.845 0.913 13330271 26.838 2.348 0.919 11869052 26.853 9.150 1.780 6820566 26.853 0.842 1.164 17690448 26.853 0.842 1.764 36997164 26.853 0.899 1.764 33045624 26.865 1.171 1.766 25089924 26.865 2.573 0.915 26174442 26.868 1.853 0.915 55275196 26.868 1.748 0.913 73429600 26.868 1.634 0.913 138071808 26.868 0.807 0.912 248589376 26.873 8.694 0.917 5298619 26.896 5.114 0.911 16140107 26.899 2.020 1.768 11704060 26.899 2.024 1.162 5871943 26.905 1.780 1.162 18722812 26.912 5.530 1.777 5935242 26.921 9.630 0.912 9457203 26.961 9.316 0.915 11290830 26.963 4.655 1.562 11795308 27.059 4.201 1.560 39762964 27.081 8.355 1.560 73915232 27.097 0.789 1.564 105551744 27.097 0.859 1.564 108422800 27.097 1.569 1.561 1635630208 27.103 3.336 0.607 32768448 27.116 4.374 1.244 5220324 27.139 1.048 0.608 55517432 27.142 9.160 0.607 5696688 27.146 0.619 1.258 108095232 27.149 1.827 0.610 17300696 27.149 1.350 1.253 50892400 27.150 4.186 0.611 9036950 27.153 6.976 0.608 8716950 27.155 4.376 0.609 15315425 27.160 0.799 1.252 43685532 27.169 2.787 2.078 15461143 27.174 7.490 0.611 20925056 27.174 1.258 0.610 253090240 27.174 1.354 0.610 150360960 27.174 0.811 0.609 177526944 27.179 2.780 1.944 8226209 27.179 2.326 1.945 17309632 27.179 2.322 2.076 21689762 27.179 1.796 1.945 16475242 27.179 1.801 2.074 18938636 27.179 1.954 2.074 44513960 27.179 2.068 1.946 45885848 27.179 4.226 2.083 8047860 27.179 4.230 1.943 9978122 27.193 1.049 1.243 34666736 27.213 1.757 1.235 20374134 27.243 1.042 1.735 35016208 27.289 5.280 1.229 5452350 27.295 3.381 2.071 14214929 27.299 5.296 1.750 5048544 27.300 1.818 1.735 23770108 27.300 1.827 1.248 12855153 27.300 1.249 1.733 20407218 27.300 0.859 1.736 18931658 27.300 0.738 1.738 10053512 27.300 0.741 1.252 22896242 27.336 3.386 1.945 6895254 27.400 5.132 1.628 7406110 27.473 7.193 1.947 7879719 27.500 1.753 1.622 21347386 27.500 1.849 1.621 14575107 27.500 5.277 1.624 6741801 27.588 9.323 1.630 9504868 27.588 0.916 1.623 40463316 27.588 0.816 1.623 36066696 27.600 5.470 1.489 5056545 27.600 1.053 1.500 7087078 27.600 0.843 1.498 17767546 27.600 4.793 1.495 10309959 27.641 9.596 1.495 17252376 27.641 0.737 1.500 69570752 27.641 1.722 1.495 24568116 27.641 1.433 1.495 27581116 27.648 4.195 1.492 10596736 27.691 1.252 1.495 14365479 27.709 7.470 1.503 5434755 28.013 7.157 2.945 12126434 28.028 6.915 0.978 7351167 28.063 9.138 2.941 4153465 28.063 9.125 3.079 4355820 28.063 4.804 2.955 6348832 28.063 2.952 3.067 17370730 28.063 3.066 2.952 19006288 28.074 4.854 0.351 16287868 28.085 4.808 3.070 5841481 28.087 0.817 0.355 20061218 28.095 8.096 2.048 21981388 28.098 1.332 0.968 18859518 28.109 1.323 0.352 15286712 28.109 0.804 0.967 24041458 28.115 8.097 2.120 15077667 28.117 4.520 0.341 6847742 28.127 8.343 2.041 42672484 28.127 8.158 2.944 8760947 28.130 0.973 0.356 71574848 28.134 2.687 0.969 21152636 28.135 2.689 0.355 18938848 28.139 9.015 0.966 7934002 28.139 9.081 0.966 8014076 28.139 9.020 0.357 8434101 28.139 9.077 0.355 11702239 28.141 2.537 0.354 19676088 28.144 4.860 0.971 9847810 28.145 0.359 0.356 76851400 28.152 0.361 0.966 61942608 28.156 7.146 3.071 11142076 28.158 1.130 0.963 26948636 28.171 3.600 2.120 32808474 28.186 8.161 3.067 8898884 28.189 6.906 0.360 8358070 28.191 2.533 0.966 21350890 28.193 4.523 0.968 5085836 28.198 8.342 2.122 46450104 28.201 3.844 2.125 15634960 28.212 4.274 2.123 8430326 28.212 4.086 2.125 21702554 28.212 2.317 2.118 32493166 28.212 2.317 1.994 21700280 28.212 2.120 1.992 122959280 28.212 1.993 2.118 133515360 28.212 1.735 1.990 15891277 28.212 1.735 2.116 27412696 28.216 3.858 1.987 15796093 28.224 2.449 2.118 53775040 28.224 2.379 2.120 55423680 28.224 2.387 2.045 77844872 28.224 2.453 2.043 57766376 28.224 2.116 2.045 236834960 28.224 2.046 2.122 228499408 28.228 4.560 1.978 8140208 28.249 4.275 1.979 9768536 28.266 3.600 1.986 17891876 28.336 4.558 2.123 8470645 28.654 9.068 2.087 60446244 28.667 4.143 2.090 94103880 28.667 2.400 2.092 140040160 28.714 7.740 2.088 16884960 28.829 9.295 1.311 6664922 28.829 3.725 1.283 4774651 28.829 3.725 0.234 4439896 28.846 1.313 0.227 18838826 28.862 0.222 1.301 12483247 28.862 0.318 1.301 13905365 28.862 0.325 0.222 13210075 28.862 1.450 0.226 7597294 28.877 -0.431 0.223 14166827 28.885 8.373 3.049 51713948 28.891 4.095 2.001 33484872 28.900 8.954 2.002 19247542 28.900 1.009 0.224 9049050 28.911 -0.435 1.294 11731088 28.927 8.372 3.160 31051108 28.947 4.701 1.142 16080735 28.956 8.521 3.160 13174533 28.956 8.521 3.051 20813010 28.978 8.070 2.001 9853934 28.978 8.074 2.104 11331776 28.978 8.950 2.104 25522944 28.978 4.086 2.102 45826024 28.978 2.506 2.004 41332556 28.978 2.510 2.111 38589628 28.978 2.339 2.109 30230826 28.978 2.344 2.002 31350508 28.978 2.002 2.111 150141904 28.978 2.098 2.004 191519296 28.980 9.253 3.009 10859480 29.000 9.261 2.782 6082330 29.000 3.018 2.778 65153280 29.000 2.773 3.025 33831524 29.000 8.262 1.150 11851803 29.000 1.678 1.136 182203456 29.000 0.929 1.137 64519852 29.000 0.873 1.137 52982256 29.000 0.873 1.680 30355102 29.000 0.934 1.680 25803136 29.000 1.148 1.682 45894868 29.000 1.542 1.684 63766876 29.000 1.529 1.136 20405156 29.000 7.106 3.024 4597892 29.007 8.272 1.675 15254699 29.016 4.704 1.657 22971032 29.028 6.003 2.768 5137620 29.110 5.995 3.011 5976648 29.136 7.229 3.086 40889080 29.136 4.633 3.072 117510984 29.136 4.633 3.178 162649056 29.136 8.661 3.182 22328312 29.136 8.661 3.099 26800392 29.136 8.538 3.186 28644894 29.136 8.529 3.094 26860628 29.144 7.884 1.717 8144174 29.164 2.935 1.715 85255088 29.164 1.459 1.715 113169760 29.164 1.525 1.715 151207536 29.164 1.766 1.717 710881088 29.164 1.998 1.719 51116732 29.176 1.401 1.634 74147496 29.176 1.701 1.630 8218306560 29.176 1.759 1.630 865697408 29.176 2.952 1.641 129634128 29.191 4.234 1.714 17882366 29.200 4.247 1.645 43528440 29.224 6.232 1.636 14328541 29.226 5.268 1.641 16795926 29.226 4.367 1.643 53563140 29.230 0.794 1.514 129349848 29.230 0.829 1.514 129349848 29.260 6.499 1.642 19633968 29.279 5.510 1.512 15258147 29.292 8.213 1.514 25141378 29.294 7.235 3.182 45208728 29.299 6.015 1.523 7150512 29.300 7.400 1.855 18612516 29.315 8.456 1.721 15376517 29.315 4.703 1.854 11096454 29.315 4.690 1.721 13578602 29.315 3.066 1.722 99436848 29.315 1.853 1.722 408425664 29.315 1.910 1.722 317010016 29.315 1.494 1.726 153174624 29.315 1.494 1.857 95504280 29.315 1.446 1.857 60961052 29.315 1.731 1.857 391533280 29.315 1.910 1.854 1174712960 29.316 4.522 1.514 54515516 29.335 7.483 1.513 13703501 29.379 6.821 1.852 6943178 29.384 7.395 1.736 19629190 29.394 6.819 1.738 8439161 29.400 3.076 1.855 124738152 29.400 7.908 1.663 12163952 29.419 8.401 3.088 16677484 29.445 8.403 3.192 28801214 29.455 7.724 1.656 17085356 29.455 7.921 1.654 15647060 29.455 1.669 1.658 6621895168 29.455 1.582 1.659 523009312 29.455 1.485 1.658 191285712 29.455 2.970 1.654 172899696 29.463 2.090 2.383 90600160 29.492 7.583 1.652 11390382 29.526 2.372 2.090 106969248 29.554 4.415 3.097 27929772 29.559 7.150 2.386 12124351 29.561 7.741 2.383 17340680 29.565 8.403 3.101 20755064 29.569 4.463 2.385 31470174 29.586 4.456 2.087 23735988 29.586 4.416 3.198 25247510 29.591 7.735 2.090 23630210 29.591 8.232 2.382 8232280 29.591 8.227 2.087 6719127 29.608 4.199 1.659 75983872 29.622 4.530 1.362 7655666 29.635 0.423 1.659 53055548 29.654 7.425 1.368 11776183 29.689 0.960 1.364 21682300 29.700 1.829 1.370 133869752 29.702 2.177 1.367 37811516 29.702 2.116 1.367 41025880 29.710 8.444 1.370 17043676 29.712 1.382 1.368 151341264 29.728 3.726 1.366 6438943 29.731 4.236 1.367 33951548 29.758 8.631 1.680 14329130 29.771 7.965 1.680 9602781 29.771 4.804 1.680 100970120 29.771 2.991 1.680 191995440 29.771 1.665 1.680 2212577280 29.771 1.494 1.680 200896000 29.832 2.225 1.873 145888704 29.832 2.147 1.873 138685088 29.835 4.173 1.872 121162600 29.863 4.636 1.870 8639200 29.891 8.359 1.874 178170144 30.162 8.193 1.861 25256456 30.248 4.230 1.958 67548528 30.249 8.352 1.861 91633064 30.249 4.225 1.868 57594672 30.273 8.186 1.958 22802044 30.275 8.339 1.961 58163824 30.470 1.437 1.703 23920122 30.494 8.441 1.704 31968464 30.494 8.444 1.819 19979116 30.494 8.339 1.819 12942652 30.494 8.330 1.701 8575555 30.518 4.377 1.707 10153505 30.532 0.969 1.824 23053950 30.532 1.048 1.824 25474354 30.532 1.709 1.824 197856000 30.532 1.818 1.701 203693536 30.532 1.437 1.822 19530632 30.532 0.973 1.703 29495030 30.532 1.048 1.703 30795166 30.605 4.391 1.826 7290399 30.778 2.085 1.742 6281082 30.784 0.969 1.321 17105748 30.789 9.020 1.123 5141234 30.789 9.085 1.123 5643672 30.789 9.015 1.313 6085974 30.789 1.323 1.120 32287044 30.789 1.118 1.318 17141130 30.789 1.823 1.118 9134111 30.789 1.823 1.318 10728772 30.789 7.427 1.313 5708026 30.800 4.845 1.327 6818405 30.834 0.969 1.121 27707118 30.881 4.850 1.115 8175219 30.894 0.349 1.312 7530250 30.911 0.354 1.122 11020217 31.152 7.489 1.458 5970598 31.245 8.219 1.462 24788154 31.255 0.427 1.459 58798252 31.262 -0.294 1.461 44252264 31.263 7.792 1.458 33048450 31.285 3.637 1.457 22826900 31.470 7.346 1.803 6968734 31.499 7.358 2.328 7080496 31.531 3.368 1.805 13993883 31.531 3.368 2.319 6000984 31.531 2.068 2.316 42998312 31.531 1.954 2.316 57792992 31.531 1.796 2.319 102214592 31.531 1.950 1.805 46507704 31.531 2.068 1.803 27641774 31.531 2.330 1.801 89793336 31.531 2.777 1.805 7331318 31.552 4.227 1.791 24329636 31.579 4.236 2.315 64987936 31.617 4.249 1.739 26121898 31.622 3.862 1.728 8683083 31.624 3.600 2.312 10684022 31.629 8.751 2.307 11765723 31.629 2.313 1.733 95872224 31.629 1.739 2.311 85373848 31.635 3.864 2.311 10051871 31.650 8.770 1.730 11136116 31.703 3.341 1.836 19249488 31.732 1.049 1.840 21509888 31.758 6.993 1.851 7486075 31.773 1.045 1.652 16432949 31.773 0.768 1.837 16788062 31.776 3.597 1.733 8694687 31.797 1.652 1.840 68904144 31.829 6.980 1.660 9687510 31.855 3.337 1.646 21621036 31.855 1.827 1.651 74088112 31.862 0.760 1.648 18008846 31.911 7.794 1.842 6917374 31.946 8.482 2.513 17691768 31.946 2.036 2.572 29783162 31.946 2.036 2.509 25590506 31.946 1.963 2.507 15985153 31.946 1.966 2.572 13981262 31.959 7.475 1.656 11086463 31.959 7.474 1.841 6539238 32.024 4.414 2.514 8155128 32.059 8.487 2.580 12604883 32.084 2.580 2.510 3033185280 32.084 2.510 2.577 2963679232 32.119 4.564 1.963 7087902 32.142 5.108 1.893 16504030 32.169 8.786 1.892 7076018 32.169 8.348 1.944 10234958 32.169 8.348 1.892 11595978 32.179 1.954 1.889 148043136 32.179 1.893 1.953 130739560 32.195 1.273 1.891 26312064 32.200 2.538 1.888 55824464 32.261 1.275 1.958 21509982 32.280 5.106 1.951 15128293 32.761 4.236 1.996 9235913 32.761 4.241 1.763 28278506 32.761 7.906 1.998 7260350 32.761 7.914 1.763 15434490 32.761 8.457 1.998 10286126 32.761 8.453 1.763 24102730 32.761 1.761 1.997 14802066 32.761 1.516 1.995 28731816 32.761 1.459 1.995 26656120 32.761 1.464 1.771 44665384 32.761 1.516 1.771 47737768 32.761 1.998 1.771 109340784 32.774 9.291 1.772 12290675 32.791 0.435 1.866 7105074 32.791 1.577 1.864 58531948 32.791 1.499 1.864 52210360 32.791 1.643 1.862 116428152 32.807 3.602 1.777 14535867 32.835 4.194 1.864 60382264 32.846 7.734 1.862 17990066 32.855 9.297 1.821 11161824 32.856 7.892 1.860 50920796 32.881 8.381 1.820 15934422 32.881 8.372 1.770 20127956 32.881 4.331 1.822 29853770 32.881 4.327 1.777 39883932 32.881 3.718 1.822 6059228 32.881 3.714 1.775 7449540 32.881 3.600 1.824 11759261 32.881 1.818 1.773 1174601088 32.881 1.774 1.820 207367984 32.881 2.068 1.771 176879344 32.881 1.923 1.771 198760704 32.881 1.923 1.820 256713712 32.881 2.072 1.820 206399296 32.883 3.341 1.637 13135986 32.891 2.974 1.871 14110239 32.897 1.827 1.638 86998032 32.900 7.471 1.646 20782722 32.907 7.806 1.638 10960844 32.940 0.742 1.642 18771922 32.979 1.954 2.050 832993280 32.979 2.050 1.962 1466446080 33.002 8.476 1.960 47579952 33.050 8.476 2.044 21166890 33.071 8.333 2.042 17772122 33.071 8.338 1.960 11479588 33.072 4.415 2.037 34189696 33.088 4.417 1.958 31433404 33.188 8.489 1.703 68359488 33.200 2.969 1.699 4739760 33.205 1.407 1.757 87037520 33.210 8.487 1.767 61454016 33.210 1.411 1.701 125712064 33.256 4.112 1.764 11356372 33.256 4.318 1.701 46597908 33.256 4.322 1.764 39174468 33.256 4.252 1.766 46562208 33.256 4.248 1.705 49695100 33.256 1.643 1.757 1699124736 33.256 1.647 1.700 2869838592 33.256 1.761 1.698 8013881856 33.256 1.700 1.756 5143091712 33.309 8.699 1.708 16341773 33.352 8.693 1.747 14664594 33.596 7.427 1.823 10617043 33.642 1.947 2.522 68781688 33.648 7.559 2.380 24868048 33.664 3.642 2.380 38317700 33.676 1.337 1.828 11156707 33.683 8.116 2.441 9580651 33.684 3.637 2.441 33278722 33.686 1.476 2.382 9982207 33.688 6.930 2.383 47287732 33.688 8.126 2.381 11307826 33.689 7.559 2.444 17627724 33.690 1.336 1.560 15207811 33.690 7.362 2.382 48980040 33.691 0.417 2.380 6094932 33.694 8.334 2.383 46710204 33.696 4.288 1.831 17162364 33.700 2.689 1.558 9215557 33.700 2.695 1.827 5624064 33.700 2.529 1.557 6982694 33.700 2.532 1.829 8381042 33.703 7.361 2.442 46877564 33.703 -0.305 2.380 9377919 33.705 4.295 1.564 12797402 33.708 8.336 2.437 38944824 33.710 6.926 2.437 38531128 33.717 2.046 2.444 116844008 33.717 2.120 2.444 93298528 33.717 2.129 2.382 92623864 33.717 2.050 2.382 124858832 33.717 2.449 2.382 1253014528 33.717 2.383 2.444 972938240 33.717 1.474 2.438 7926692 33.727 8.224 2.527 10557768 33.730 0.812 1.559 16236092 33.734 4.081 2.440 6293998 33.734 5.107 2.530 14857865 33.737 1.827 1.559 74818920 33.737 2.234 1.559 30516196 33.737 2.230 1.833 37374192 33.737 1.932 1.559 32255202 33.737 1.932 1.833 53010896 33.739 0.812 1.829 11782205 33.740 0.434 2.437 5990192 33.740 5.090 2.100 16079765 33.745 7.424 1.553 14502199 33.760 1.269 2.529 27564138 33.772 8.793 2.537 15735082 33.773 1.572 1.835 67623144 33.774 4.072 2.387 6498948 33.790 2.527 2.101 116916648 33.790 2.103 2.526 99870032 33.790 1.884 2.526 49946868 33.790 1.884 2.106 51202528 33.803 1.277 2.103 27448694 33.823 9.264 1.827 6322600 33.893 1.931 2.104 75379760 33.897 8.788 2.109 16423965 34.200 8.444 2.103 24833660 34.220 4.239 2.104 42573656 34.220 2.168 2.095 539725760 34.220 2.103 2.176 316335104 34.225 8.843 2.114 17669574 34.233 0.952 2.102 51826532 34.243 1.379 2.098 64064188 34.248 7.411 2.116 9891165 34.286 4.530 2.107 12456378 34.314 0.951 2.172 56517216 34.318 1.380 2.174 63484360 34.319 4.238 2.173 30036094 34.328 4.524 2.173 7259236 34.335 8.861 2.172 9105967 34.356 8.450 2.173 24788886 34.374 7.424 2.160 8105268 34.379 9.166 2.802 5839218 34.484 8.389 2.073 14199280 34.484 8.385 1.917 9618158 34.484 4.327 1.917 25227206 34.484 4.331 2.071 45330604 34.484 3.709 2.071 9645380 34.484 2.072 1.918 304117376 34.484 1.818 1.918 199134336 34.484 1.774 1.918 130012880 34.484 1.774 2.073 75576456 34.484 1.823 2.071 113636264 34.484 1.919 2.071 241467104 34.517 9.297 1.918 18168274 34.562 9.291 2.073 22789074 34.684 7.461 1.841 6857109 34.695 5.301 1.825 6276246 34.741 1.853 1.533 45383664 34.742 8.092 1.842 12861043 34.742 0.773 1.535 19129892 34.744 3.109 1.841 16911778 34.747 1.262 1.534 18784574 34.770 1.573 1.531 91340936 34.770 1.577 1.843 75024448 34.773 8.090 1.539 10937546 34.792 1.264 1.845 13543121 34.793 0.767 1.845 15720642 34.807 3.109 1.531 12279633 34.811 7.479 1.544 6485786 34.826 9.326 1.534 5941610 34.864 5.290 1.538 9366837 35.196 1.827 0.961 17761842 35.223 1.720 0.955 16400519 35.252 8.434 0.959 9716384 35.261 1.434 0.957 19630824 35.279 8.333 1.053 12153107 35.281 0.996 0.959 103279992 35.294 8.335 0.965 9977931 35.298 1.431 1.050 16458917 35.300 1.714 1.055 14706518 35.300 1.350 2.130 22385106 35.303 1.842 1.047 16948468 35.310 4.385 1.055 15879702 35.310 1.032 1.054 82190704 35.319 4.390 0.948 16592118 35.372 8.201 2.223 8657443 35.372 8.197 2.148 8477761 35.372 4.222 2.221 37062128 35.372 4.222 2.151 25160002 35.372 2.221 2.148 3444723456 35.372 2.147 2.220 1642107136 35.372 1.963 2.221 385313728 35.372 1.858 2.220 292456032 35.372 1.858 2.148 207001824 35.372 1.967 2.148 217298032 35.375 9.261 2.236 25856194 35.379 9.251 1.933 19122942 35.389 0.817 1.938 28334054 35.398 8.446 1.051 12551159 35.400 1.562 1.934 41653228 35.406 4.287 2.234 33716900 35.406 2.230 1.934 402749344 35.406 1.932 2.244 375838432 35.406 1.564 2.239 72177320 35.406 1.827 1.932 88021896 35.406 1.827 2.241 256503616 35.416 8.352 2.150 60483624 35.442 4.287 1.934 21434272 35.444 8.355 2.224 57986800 35.444 4.165 2.225 26016044 35.444 4.160 2.143 34432844 35.449 0.819 2.225 37508076 35.651 7.740 2.421 19633020 35.663 4.146 2.418 91470112 35.666 9.067 2.418 62190752 35.679 2.088 2.418 427114304 35.722 2.705 1.918 6469590 35.785 7.403 1.910 7181320 35.827 8.441 1.907 12379288 35.830 1.904 1.467 52325168 35.836 7.890 1.463 8213500 35.839 5.074 2.417 6508032 35.854 1.492 1.909 90738240 35.891 6.819 1.908 8648751 35.896 7.879 1.903 5609970 35.896 2.700 1.466 10752330 35.898 8.440 1.464 6910023 35.903 4.718 1.909 23094290 35.905 6.808 1.460 4744326 35.910 3.065 1.905 5272236 35.919 4.726 1.460 16484662 36.003 3.064 1.458 5948029 36.284 4.522 1.585 11150808 36.297 8.843 1.599 5526472 36.375 7.134 1.613 11589282 36.380 0.107 1.599 43947140 36.399 9.081 1.596 14892715 36.400 1.003 1.602 37036864 36.474 4.077 2.504 27189644 36.501 8.066 2.505 7376078 36.522 2.343 2.505 443831520 36.535 8.948 2.504 14584792 36.536 2.103 2.507 86500256 36.536 2.002 2.509 92384272 36.536 2.006 2.339 81204280 36.536 2.107 2.339 74147128 36.544 8.946 2.339 21975360 36.546 4.079 2.337 52424488 36.552 8.076 2.335 7727960 36.555 2.507 2.339 564700416 36.957 0.332 1.448 33494872 36.960 9.286 1.448 17500452 36.972 3.728 1.428 7023174 36.972 0.225 1.446 8274078 36.972 1.297 1.447 8267012 37.049 -0.423 1.449 17865026 37.491 9.541 3.011 32029536 37.491 9.550 2.967 26739914 37.491 8.950 2.966 12551138 37.491 8.950 3.011 14978740 37.491 7.798 2.969 25123512 37.491 7.790 3.011 29853586 37.491 7.063 3.011 17265680 37.491 7.059 2.971 18665660 37.491 4.646 3.011 31756032 37.491 4.646 2.969 32553630 37.491 4.086 3.013 5853948 37.491 2.970 3.013 210310160 37.491 3.013 2.974 268542368 37.497 8.073 2.090 6085704 37.500 6.714 2.744 13444091 37.533 2.462 2.087 7017038 37.533 2.072 2.451 6795772 37.533 1.757 2.453 7089366 37.537 8.072 2.456 5395846 37.561 8.627 1.543 7829268 37.568 1.658 2.229 28109234 37.570 9.389 2.742 8366939 37.572 3.086 2.748 169664832 37.574 4.423 3.080 43779336 37.578 4.799 1.531 11811366 37.580 7.626 3.081 29853934 37.584 1.535 2.228 27390230 37.595 2.752 3.081 203268816 37.606 6.719 3.079 11419083 37.609 2.229 1.540 17952824 37.613 4.422 2.749 28327706 37.618 4.800 2.234 14760169 37.618 1.490 1.540 17734206 37.618 1.485 2.228 17034396 37.618 2.987 2.232 9013472 37.618 2.987 1.540 5907102 37.622 1.647 1.541 31793666 37.640 9.401 3.080 14546424 37.644 8.765 3.085 5964440 37.646 3.763 2.747 11149232 37.696 8.218 2.652 26874056 37.696 3.772 2.645 7266322 37.699 6.952 2.647 16033327 37.700 7.516 2.649 31100004 37.700 7.516 2.752 33202430 37.702 8.639 2.236 6283198 37.707 4.227 2.749 22529812 37.718 4.226 2.654 27914682 37.753 1.241 2.753 6298160 37.767 6.961 2.751 11552269 37.768 8.214 2.750 29707444 37.768 2.654 2.752 105368672 37.768 2.751 2.649 139919696 38.163 1.512 1.823 11217728 38.214 0.618 1.816 6669800 38.233 7.480 1.824 10439073 38.241 0.800 1.823 11204465 38.269 4.618 3.009 14401863 38.292 1.350 1.823 18809562 38.299 7.891 3.018 7209850 38.300 7.657 3.294 16331995 38.300 1.008 1.822 37198476 38.300 1.056 1.822 39158956 38.304 0.432 3.293 9575121 38.309 0.428 3.003 8799504 38.311 5.279 1.804 6151498 38.326 7.661 3.013 19675216 38.335 9.014 1.823 7839291 38.343 7.895 3.293 5849570 38.343 7.146 3.013 14633048 38.352 3.303 3.010 55524252 38.365 4.617 3.303 16581331 38.382 3.015 3.294 44253532 38.392 7.145 3.291 14813466 38.649 4.188 2.719 7184222 38.676 7.576 2.720 49849120 38.710 6.922 2.723 12833911 38.715 7.575 2.835 38889556 38.717 4.690 2.721 87890520 38.721 8.357 2.835 31395012 38.721 8.357 2.723 27825082 38.721 2.733 2.834 723275392 38.721 2.843 2.717 808341568 38.728 4.692 2.835 101236288 38.729 8.274 2.834 59512124 38.731 8.269 2.721 69814088 38.766 6.928 2.836 12428607 38.766 4.172 2.830 6384950 38.865 1.156 2.025 10035618 38.883 5.541 2.023 6771814 38.910 0.890 2.025 70399984 38.910 0.838 2.023 36421716 38.939 9.156 2.020 10299570 38.954 1.776 2.028 10507888 39.094 3.028 3.537 29294284 39.128 7.526 3.531 8895981 39.151 7.533 3.010 16360564 39.156 3.542 3.003 40768136 39.158 9.069 3.531 16422476 39.159 5.069 3.539 20481292 39.169 9.067 3.009 19186862 39.173 6.936 3.535 5850526 39.188 5.068 3.014 30588246 39.225 6.917 3.014 7774453 39.263 8.786 3.007 7998494 40.171 8.733 2.590 7725431 40.186 8.775 3.016 6384001 40.188 3.734 2.572 7496542 40.200 8.329 2.590 5839748 40.218 6.332 2.586 6302024 40.234 7.264 2.850 12333254 40.234 7.260 3.018 13007803 40.234 5.159 2.854 8126144 40.234 5.163 3.020 8556336 40.234 3.018 2.847 41669052 40.234 2.851 3.013 28353202 40.236 0.930 2.567 6276242 40.254 8.776 2.851 7105951 40.348 5.065 3.093 73287264 40.368 8.207 3.095 81117096 40.381 7.318 3.132 52258316 40.385 8.207 3.147 69494200 40.395 8.308 3.145 32291602 40.395 8.308 3.098 36969632 40.395 3.149 3.099 844957696 40.395 3.097 3.148 913590336 40.396 5.066 3.147 65384160 40.398 7.321 3.091 65373508 40.400 6.709 3.148 4684909 40.400 6.718 3.099 4520863 40.445 3.067 2.577 69895440 40.506 4.702 3.051 28559366 40.506 2.584 3.049 59583648 40.514 7.347 3.048 21811492 40.514 8.280 3.048 9520099 40.523 7.345 2.566 8014840 40.543 8.619 2.852 5623512 40.557 4.699 2.575 27744218 40.560 9.082 2.335 5571982 40.579 6.545 2.855 11861474 40.591 4.524 2.344 6340848 40.600 0.837 2.335 4484677 40.606 2.844 2.344 23497604 40.606 2.346 2.850 14529646 40.632 6.542 2.334 14328039 40.640 8.636 2.346 7925464 40.645 4.524 2.857 7137942 40.651 0.911 2.341 9152500 40.659 0.944 2.854 7051568 41.740 5.304 3.117 6946259 41.782 8.093 3.106 10814202 41.831 0.807 3.100 46635096 41.831 0.912 3.104 63901808 41.831 1.240 3.104 49929968 41.831 1.542 3.109 137770336 41.831 1.586 3.107 205117104 41.831 1.840 3.114 44942932 42.060 7.473 1.388 9569594 42.100 1.878 2.956 83110288 42.100 1.820 1.398 10772628 42.100 1.015 1.523 5665141 42.100 1.012 1.396 8097323 42.123 7.483 1.519 6369002 42.123 4.524 1.521 12516946 42.123 1.507 1.398 156499072 42.123 1.507 1.523 1235422464 42.123 1.398 1.521 13263413 42.123 0.820 1.524 158131504 42.123 0.776 1.524 97125104 42.123 0.824 1.398 42562108 42.123 0.781 1.397 28628202 42.148 4.517 1.397 15008160 42.167 8.219 1.400 7936816 42.190 0.436 2.957 143074656 42.193 7.168 1.545 10005987 42.201 4.233 2.950 82268864 42.201 7.899 2.952 46049588 42.201 1.731 2.950 208265968 42.201 1.464 2.950 212613056 42.201 1.521 2.950 213620256 42.204 4.655 1.545 18635756 42.205 8.355 1.544 190230400 42.205 4.200 1.545 125745864 42.213 0.776 1.558 110107472 42.213 0.864 1.558 155387120 42.213 1.569 1.556 2039426688 42.259 1.661 2.947 575662720 42.259 1.382 2.952 18760840 42.284 9.060 2.529 5157082 42.292 2.692 2.681 326064576 42.311 8.380 3.048 11456268 42.319 5.550 3.039 17445886 42.338 6.396 2.681 34682172 42.339 1.847 2.683 18807122 42.347 2.535 2.684 187315520 42.347 6.395 2.529 27765128 42.347 0.966 2.684 52993984 42.350 0.812 2.684 28826596 42.352 0.362 2.527 50340664 42.352 1.118 2.684 19702120 42.352 2.530 2.526 395203776 42.353 1.334 2.680 26001500 42.358 2.687 2.528 264104304 42.359 6.898 2.524 52457824 42.365 0.969 2.528 71658224 42.369 0.808 2.526 39223048 42.369 0.367 2.685 32262694 42.375 1.341 2.531 21916504 42.377 1.129 2.525 26587784 42.387 1.846 2.532 14478066 42.390 6.886 2.682 34129440 42.392 7.888 3.061 8611381 42.400 7.448 3.059 23628484 42.401 1.765 3.063 184021024 42.401 1.718 3.062 106614520 42.409 1.850 3.064 205375472 42.411 1.494 3.064 156499568 42.414 6.949 2.468 23973820 42.414 6.945 3.057 14106112 42.414 7.308 3.055 16753066 42.414 2.479 3.050 33661968 42.414 1.682 2.990 115134560 42.414 1.494 2.990 42237792 42.414 8.630 2.990 7574718 42.414 0.111 3.060 5529808 42.417 8.389 2.468 6680956 42.437 0.113 2.477 11766244 42.444 5.542 2.468 15815786 43.146 9.620 1.697 6844606 43.167 1.547 1.529 56440696 43.241 7.468 1.720 6062766 43.248 4.508 3.653 45072480 43.249 0.745 1.717 17126864 43.253 8.454 4.502 29710344 43.258 8.446 3.655 29582060 43.258 3.671 4.510 50765036 43.282 0.741 1.428 17936174 43.282 1.494 1.715 12268563 43.282 1.512 1.426 20199494 43.282 1.722 1.426 14812589 43.282 1.433 1.719 11103090 43.282 4.204 1.717 5438238 43.282 4.200 1.432 6230138 43.284 6.485 3.639 5145763 43.289 1.528 4.511 12756037 43.292 1.538 3.652 11709178 43.300 8.330 4.503 13763196 43.300 8.330 3.656 11707363 43.315 8.258 1.522 9175911 43.335 4.277 1.521 11353603 43.388 0.868 1.526 47207244 43.388 0.929 1.524 55639992 43.388 4.152 1.519 6090625 43.393 1.542 1.525 58484676 43.424 8.952 1.526 7201444 43.454 4.700 1.515 15669810 43.517 1.147 1.522 10370309 44.796 1.014 2.641 5522078 44.817 1.017 2.762 7455555 44.914 2.777 2.643 6065520 44.914 2.637 2.768 5678962 45.077 4.655 4.103 7885140 45.135 4.109 4.103 252260560 45.139 4.111 3.814 264233376 45.144 3.822 4.103 221014560 45.152 7.738 3.814 98160224 45.153 3.823 3.814 329716416 45.165 7.737 4.105 68801104 45.167 8.261 3.817 64929376 45.170 8.260 4.104 40390296 45.176 4.665 3.816 11295316 45.325 1.961 3.869 6902871 45.352 2.118 4.288 10944125 45.364 8.232 4.281 26995824 45.364 8.162 4.281 18446592 45.364 8.162 3.881 22801376 45.364 8.232 3.881 34426260 45.364 1.963 4.284 6540358 45.388 4.287 3.869 60356612 45.389 2.102 3.878 9029425 45.419 7.590 3.926 9489764 45.421 3.885 4.285 40829508 45.453 3.933 3.490 70223192 45.465 3.497 3.923 83980248 45.480 8.771 3.489 32532804 45.490 8.770 3.919 36892948 45.501 7.586 3.485 10695944 45.956 9.304 1.752 6781275 45.988 0.811 1.850 7008215 45.988 0.916 1.850 11526622 45.988 0.908 1.752 12261286 45.988 0.811 1.752 8070997 45.988 1.634 1.752 6622316 45.988 1.626 1.850 5263208 45.988 1.748 1.847 9073569 45.988 1.748 1.752 11637664 46.116 5.120 1.841 5356650 46.803 1.534 4.271 9168734 46.842 8.931 4.276 9377961 46.843 7.896 4.267 4909629 46.846 4.152 4.267 10360412 46.846 4.265 4.156 10475230 46.846 1.534 4.158 5382469 46.846 8.936 4.152 8485150 46.863 0.900 4.275 15515118 46.917 0.906 4.159 14004845 46.937 1.667 4.272 5807438 47.260 9.171 1.353 6787096 47.260 7.481 1.346 11512210 47.260 4.373 1.351 17306440 47.260 0.634 1.349 35342872 47.260 0.800 1.349 41925480 47.260 1.050 1.351 17461126 47.260 1.343 1.349 137689744 47.260 1.820 1.346 14266627 47.260 1.258 1.351 51834712 47.260 1.503 1.351 18749780 47.501 1.008 2.577 8465891 47.554 1.008 2.750 7671401 47.563 2.557 2.755 12569490 47.612 2.762 2.558 13093295 47.614 9.079 2.753 5357417 47.619 9.078 2.546 7236068 49.706 1.979 3.368 21314662 49.708 1.968 2.770 23046366 49.732 2.783 2.780 26618228 49.738 3.373 2.774 23789860 49.738 3.378 3.362 27756882 49.742 2.771 3.365 26631900 49.753 4.810 2.763 6642238 49.801 10.389 3.379 5125862 49.813 3.783 3.365 8438045 49.814 3.780 2.756 6451260 49.834 4.796 3.364 9514011 49.834 2.081 3.367 12780734 49.834 2.068 2.769 10699012 49.834 1.801 3.365 6437384 50.270 1.589 3.838 27633108 50.278 2.128 3.587 23244158 50.310 1.590 3.588 37690180 50.315 3.856 3.587 41548100 50.319 3.594 3.847 41934364 50.331 1.735 3.602 10226289 50.338 1.986 3.593 20342708 50.338 4.555 3.851 33694668 50.345 2.125 3.847 19045122 50.353 1.994 3.843 18995802 50.366 2.316 3.842 10533013 50.367 4.557 3.589 32264774 50.388 1.735 3.857 8566917 50.392 2.306 3.587 9919304 50.758 9.223 5.874 23148706 50.776 1.548 5.872 36912392 50.801 4.818 5.878 5690689 50.828 5.881 5.877 33401040 50.861 5.308 5.879 19234582 50.901 1.253 5.859 5873452 50.952 9.072 5.057 35228988 50.958 2.085 5.057 11153028 50.970 3.862 4.556 56116908 50.972 7.591 4.555 23895808 50.980 3.547 5.057 40605044 50.981 3.595 4.558 44447484 50.981 3.019 5.056 40789400 50.982 2.120 4.554 13130758 50.985 1.588 4.555 73466640 50.987 5.065 5.057 161267344 50.998 7.544 5.056 6989012 51.015 8.792 5.057 13988912 51.846 1.534 5.500 14889198 51.869 9.017 5.512 16816836 51.881 2.646 5.500 10641922 51.886 7.467 5.503 8614989 51.887 2.753 5.500 9883330 51.915 5.511 5.502 49633000 51.918 0.791 5.497 13076458 51.938 9.244 5.506 7420346 51.953 8.210 5.499 17709580 51.981 6.011 5.491 14375777 51.987 0.340 5.501 5854802 51.998 1.010 5.505 9889093 52.448 1.339 4.252 308682752 52.455 8.341 4.254 417967712 52.464 1.963 4.256 16652697 52.500 7.356 4.689 8995913 52.571 2.590 4.689 23119804 52.616 3.066 4.689 18655462 52.643 3.923 3.916 61661552 52.648 7.969 3.918 41168456 52.668 8.774 3.918 21402518 52.668 0.954 3.917 59083900 52.675 4.571 3.919 19204886 52.695 1.526 3.908 7201018 52.926 9.310 5.110 10872238 52.986 9.625 5.110 31446010 52.994 1.753 5.111 14332198 52.994 1.853 5.109 11279210 52.995 1.664 5.112 17631604 52.995 0.811 5.113 42712816 52.995 0.908 5.113 22501288 53.021 5.116 5.112 71717872 53.396 7.554 4.690 6988728 53.458 1.567 4.689 15541563 53.468 8.265 4.687 94028512 53.468 8.348 4.687 102079544 53.483 2.829 4.687 74772104 53.493 2.742 4.685 63376108 53.700 8.330 4.393 31695600 53.700 8.431 4.391 17985562 53.700 0.338 5.993 4528618 53.733 2.783 5.998 17102562 53.735 1.056 4.395 22955988 53.735 0.969 4.395 16665624 53.735 1.704 4.393 8778549 53.735 1.818 4.391 8096896 53.742 0.789 6.006 8978538 53.744 5.505 6.000 14493921 53.768 3.033 6.000 9851743 53.793 6.009 6.002 43154716 53.799 9.257 5.992 9538245 53.802 8.210 6.001 28395016 53.808 7.472 6.003 6309824 53.822 1.518 5.992 8131541 53.915 8.332 4.396 37814200 54.093 1.122 4.413 13304530 54.120 8.315 4.421 31768256 54.125 2.750 4.419 34845636 54.142 3.086 4.420 42928500 54.145 8.773 4.423 23020518 54.153 9.398 4.421 51468588 54.229 5.157 4.418 11170812 54.405 7.665 4.048 19182440 54.428 7.895 4.045 7115359 54.431 7.736 4.046 9389449 54.446 1.228 4.047 143175216 54.473 0.809 4.048 11893571 54.474 7.519 4.046 49075092 54.522 1.564 4.046 13369738 54.580 1.768 5.481 6487938 54.605 7.888 4.720 6414605 54.605 8.449 4.713 17744692 54.605 1.464 4.713 17333668 54.605 1.910 4.712 7905384 54.702 1.262 4.367 39741600 54.702 0.614 4.370 19217998 54.706 1.524 5.474 7010678 54.728 4.787 5.485 16556981 54.737 0.807 4.372 86981192 54.739 9.161 4.370 66948484 54.743 9.021 5.483 15010928 54.749 7.476 4.371 19123512 54.751 1.390 5.476 7164246 54.766 5.497 5.482 21945482 54.779 1.348 4.368 52416020 54.796 9.595 5.486 7416662 54.824 1.545 5.091 6945170 54.910 5.106 5.102 67521784 54.923 8.788 5.099 44297816 54.923 8.352 5.103 12437365 54.923 2.107 5.097 12370376 54.923 1.945 5.102 28363746 54.926 1.277 5.106 26985988 54.926 8.111 5.102 7269055 54.927 5.460 5.102 26721700 54.935 2.519 5.094 16570974 54.976 2.127 4.101 33365136 54.986 8.695 4.102 71559624 54.990 4.107 4.102 5861621760 55.119 8.523 4.621 108062488 55.119 8.383 4.621 73382520 55.119 3.066 4.622 219240176 55.119 3.171 4.622 329451008 55.129 1.647 5.591 5040590 55.143 1.383 5.593 8125325 55.145 0.887 5.602 11031698 55.176 5.271 5.601 18631854 55.176 2.782 5.593 7030329 55.177 9.302 5.589 9939934 55.199 2.549 5.589 11800472 55.204 8.351 5.107 15972286 55.217 9.145 5.592 26147582 55.220 1.337 4.410 25096320 55.243 8.381 4.328 27335702 55.243 1.818 4.328 52525808 55.243 1.766 4.328 33324764 55.243 2.072 4.326 32585124 55.243 1.919 4.326 28068844 55.243 1.306 4.325 8978705 55.266 5.596 5.587 43897244 55.272 9.291 4.328 79482928 55.274 2.019 4.410 119433000 55.276 2.542 4.411 48632064 55.280 8.484 4.411 62022444 55.281 9.068 5.591 9651066 55.282 8.338 4.410 336305504 55.300 8.687 4.644 126918072 55.300 8.556 4.648 105822872 55.300 3.180 4.644 409729344 55.300 3.118 4.644 345647616 55.329 6.936 4.324 9488419 55.400 8.398 4.613 115666168 55.400 8.556 4.613 59438356 55.400 3.188 4.618 316288736 55.521 0.424 4.219 19476938 55.544 2.961 4.223 14216546 55.560 1.851 4.292 40792980 55.560 2.225 4.293 29531498 55.560 1.932 4.293 32109574 55.560 7.888 4.222 12974799 55.561 1.578 4.289 14996321 55.570 3.057 5.543 24509752 55.593 2.474 5.539 20680036 55.599 7.527 4.216 18505008 55.599 8.212 4.216 29946860 55.600 8.373 5.545 39532744 55.609 2.755 4.219 44569564 55.609 2.654 4.219 53036756 55.611 9.257 4.289 76307624 55.613 7.897 5.543 12673162 55.613 5.548 5.542 73969296 55.619 6.951 5.548 9685451 55.641 5.166 5.541 16837672 55.650 7.287 5.539 6430554 55.657 9.395 5.547 12145889 55.670 7.420 4.290 25262048 55.704 1.879 4.205 36803364 55.736 0.107 5.540 10936471 55.751 1.561 4.198 215847504 55.768 0.809 4.198 153015728 55.774 8.358 4.197 226385328 55.796 1.231 4.199 11872878 55.804 0.804 4.877 8309679 55.925 0.969 4.881 5590828 56.235 0.950 4.588 15239372 56.248 2.366 4.461 142576448 56.250 8.227 4.464 20675656 56.255 2.092 4.460 59259808 56.262 7.418 4.629 33236114 56.263 4.631 4.700 55061176 56.270 7.741 4.463 49842756 56.297 4.467 4.463 432143744 56.303 9.219 4.637 5416936 56.303 2.663 4.636 9271684 56.303 2.799 4.636 7702392 56.325 8.785 4.583 32005204 56.325 8.851 4.584 21620068 56.336 10.336 4.253 8216744 56.337 0.315 4.256 8449772 56.348 3.923 4.576 16522928 56.375 8.480 4.254 336006400 56.378 3.737 4.250 24949686 56.380 8.483 4.884 27083994 56.393 8.341 4.219 69303752 56.393 2.221 4.218 51067404 56.393 2.147 4.218 30621410 56.393 1.858 4.223 85355944 56.398 1.736 4.319 61147904 56.402 8.357 4.885 20704422 56.403 1.749 4.253 98365192 56.404 1.388 4.320 34836020 56.409 3.661 4.588 11361813 56.418 8.205 4.747 15943066 56.421 8.210 4.888 28970534 56.422 8.202 4.220 360959328 56.424 1.938 4.220 141976464 56.432 8.495 4.320 204964944 56.451 8.672 4.313 16157513 56.451 1.693 4.319 56078440 56.451 1.689 4.253 77878640 56.497 9.617 4.190 10473684 56.502 7.895 4.197 17420570 56.502 1.718 4.202 32703066 56.502 1.376 4.200 37474896 56.502 1.494 4.200 44892672 56.502 0.741 4.198 46848180 56.540 0.319 4.239 8627983 56.543 1.879 4.151 200132336 56.556 7.331 4.216 9217005 56.562 8.369 4.150 254472896 56.562 2.221 4.151 41531072 56.562 2.142 4.153 41841692 56.562 0.789 4.151 36220180 56.566 7.464 4.195 8783590 56.577 1.394 4.242 57660060 56.607 5.286 5.291 30194556 56.652 9.342 5.290 23263582 56.674 1.558 5.286 28713476 56.694 1.263 5.282 10061358 56.695 5.883 5.286 17742798 56.698 1.849 5.284 5488782 56.698 1.591 5.284 19509978 56.897 8.232 4.225 36449460 56.897 2.173 4.232 29268298 56.897 2.107 4.232 38060492 56.897 1.385 4.232 45195152 56.897 1.450 4.230 49985984 56.897 1.551 4.230 31727518 56.897 1.932 4.226 48218028 56.897 1.770 4.228 41107404 56.900 8.462 4.230 45655500 56.915 7.423 4.227 14773150 56.940 2.002 4.240 38761928 56.940 1.757 4.246 38781940 56.940 1.464 4.249 23241388 56.940 1.521 4.249 19770928 56.942 7.901 4.230 70148352 56.973 7.481 4.521 13725793 56.973 8.213 4.517 21953604 56.973 1.393 4.521 34746144 56.979 1.520 4.518 70488936 56.987 0.819 4.518 80483904 57.003 1.670 4.610 15187331 57.025 4.091 4.606 13309681 57.044 3.707 4.242 11258473 57.066 9.537 4.612 44833148 57.080 1.133 5.059 29691620 57.080 3.013 4.605 23388614 57.083 7.319 5.059 47780024 57.089 6.719 5.060 13649486 57.098 8.315 5.059 275398272 57.098 8.199 5.055 73690104 57.098 3.153 5.055 109726632 57.098 3.101 5.055 136010960 57.104 7.631 5.064 6035614 57.124 8.416 4.412 27340870 57.148 3.130 4.405 67676584 57.195 9.641 4.619 10418408 57.195 3.018 4.638 41186944 57.195 2.961 4.638 40973660 57.257 8.967 4.620 5877598 57.321 6.539 4.650 19463642 57.346 2.466 5.151 9349902 57.352 2.586 4.641 10296571 57.360 8.346 4.544 60459072 57.360 7.457 4.540 21562250 57.360 3.836 4.547 21086238 57.363 4.296 4.545 12209193 57.383 7.277 5.155 17531710 57.409 5.165 5.159 77886840 57.410 9.398 5.162 40075024 57.419 5.561 5.156 17919130 57.421 8.782 5.160 14108348 57.441 3.019 5.152 31182330 57.539 8.377 5.165 8405428 57.691 1.562 4.611 10804472 57.697 0.830 4.619 7347458 57.704 3.009 4.615 30196396 57.740 7.893 4.609 12723637 57.755 7.667 4.614 28747972 57.784 7.138 4.612 51863440 57.811 3.305 4.612 33752724 57.851 1.221 4.613 5702871 58.230 0.431 3.628 16502161 58.306 1.476 3.623 31493180 58.307 8.090 3.627 9858735 58.309 -0.300 3.625 35850096 58.315 1.506 4.180 49284604 58.318 3.637 3.626 221124672 58.320 6.357 3.615 6167426 58.321 8.341 3.627 28242628 58.321 2.116 3.626 44842764 58.321 2.050 3.626 39402184 58.321 2.449 3.628 22303180 58.321 2.379 3.628 18989128 58.322 7.795 3.622 17406134 58.325 4.622 4.184 8903707 58.325 1.878 4.180 79524616 58.333 7.379 3.637 5562004 58.345 2.591 3.625 8492034 58.345 7.732 4.180 27270624 58.362 1.586 4.181 41745556 58.362 1.661 4.181 50877592 58.385 7.897 4.180 44740804 58.411 2.974 4.181 14216798 58.526 9.124 5.448 8401862 58.564 1.914 5.454 7851825 58.618 1.271 5.453 34380444 58.625 5.112 5.457 18019166 58.638 5.458 5.452 51765612 58.642 4.417 5.459 9559046 58.652 8.094 5.449 25798562 58.681 1.530 4.692 14948660 58.690 1.161 4.686 9653414 58.691 0.888 4.688 16617981 58.819 1.666 4.688 13099377 58.830 8.265 4.687 18288420 58.831 8.940 4.696 8055872 59.100 8.720 3.923 5892380 59.131 5.064 4.135 9129023 59.140 2.421 4.137 60728976 59.141 8.222 4.139 13027462 59.143 1.238 3.903 11327891 59.157 2.089 4.136 142938256 59.158 2.079 3.906 20920906 59.165 9.068 4.136 40825524 59.169 7.735 4.135 25742324 59.179 4.362 3.910 15923868 59.193 3.916 3.906 78655232 59.203 2.440 3.904 13339080 59.208 0.761 3.905 17783888 59.222 8.073 3.909 19094918 59.223 1.743 3.906 17874602 59.277 2.499 3.906 16569479 59.301 7.476 3.923 5850746 59.729 7.795 3.325 7254851 59.815 1.656 3.326 42581572 59.820 7.486 3.325 27901616 59.828 0.749 3.322 28965004 59.834 1.233 3.325 39472960 59.853 1.861 3.327 19997374 59.862 0.619 3.326 40221612 60.244 7.146 3.814 15656088 60.304 5.935 3.811 5111939 60.339 3.309 3.804 13358848 60.366 3.825 3.814 43313880 60.379 8.278 3.806 28414804 60.379 7.772 3.820 5613938 60.379 8.346 4.070 8805592 60.394 2.500 4.075 20896276 60.405 2.350 4.068 36088384 60.420 8.076 4.068 11369863 60.420 7.383 3.817 9562710 60.435 8.956 4.069 19329654 60.435 2.112 4.069 54045868 60.435 2.011 4.069 58062148 60.452 6.539 4.520 13257433 60.453 3.117 3.812 11098588 60.558 2.559 4.507 6509464 60.568 9.074 4.524 42507648 60.600 0.825 4.515 5469484 60.600 0.773 4.515 5156482 60.610 4.842 4.523 16941028 60.640 8.635 4.515 6267458 60.640 2.854 4.512 7527683 60.640 2.341 4.509 7226966 60.711 0.352 4.524 10890238 60.766 0.890 5.519 24216308 60.766 0.842 5.517 34058960 60.768 1.000 4.519 28922372 60.776 9.072 4.521 21669164 60.780 5.536 5.521 34278248 60.802 4.802 5.530 9333284 60.809 7.895 4.553 121070264 60.811 8.713 5.522 17515484 60.812 8.855 4.519 20458200 60.815 0.109 4.520 26992922 60.817 1.133 4.553 104314056 60.819 8.321 4.553 31411200 60.819 8.434 4.521 15234326 60.821 1.385 4.533 7681188 60.825 6.944 4.550 9402787 60.827 2.031 5.521 5026664 60.835 1.764 5.518 7922030 60.837 4.172 4.553 70758616 60.845 5.282 5.529 7127451 60.845 1.617 4.517 8858884 60.889 1.190 5.518 10499661 60.897 3.724 4.521 14512955 61.090 1.952 2.685 8163746 61.144 4.799 2.687 9264018 61.171 1.969 3.750 9987524 61.172 3.744 2.683 6766572 61.186 2.696 3.735 12471047 61.186 7.395 3.748 6892870 61.191 2.727 2.672 10137832 61.200 4.793 3.736 12195626 61.205 1.481 3.731 7311734 61.215 1.487 2.684 9279779 61.262 3.752 3.744 11596097 61.283 7.424 2.696 6205058 61.423 0.884 5.271 16382999 61.427 5.591 5.260 18158564 61.433 1.386 5.268 25627734 61.435 9.015 5.268 8716079 61.435 9.269 5.268 30921064 61.447 5.276 5.271 70262896 61.452 1.678 5.267 11088415 61.475 1.015 5.276 28631718 61.552 3.791 5.259 8439267 61.552 9.322 5.256 22814462 61.580 8.244 5.265 6061060 61.580 1.816 5.270 10945464 62.316 1.978 3.727 13398937 62.344 1.659 3.730 39812884 62.370 6.336 3.727 27659426 62.373 0.909 3.726 27636392 62.374 6.576 3.732 7469049 62.375 0.768 3.722 13348069 62.381 2.569 3.728 32902478 62.390 8.343 3.727 7886944 62.397 7.471 3.719 10818259 62.406 8.706 3.728 14822144 62.956 4.519 3.714 16522265 62.991 7.419 3.711 9050078 62.998 1.446 3.713 13858533 62.998 1.297 3.712 8109242 62.998 8.447 3.711 32676458 62.999 8.864 3.717 6186112 63.001 0.118 3.716 16695461 63.006 0.327 3.713 29302266 63.008 1.005 3.716 20054562 63.025 -0.440 3.712 7023964 63.181 9.287 3.717 7309648 63.202 4.562 4.558 196918720 63.215 4.300 4.560 62891096 63.231 1.146 4.559 90971256 63.240 7.768 4.557 13137565 63.240 7.877 4.557 10067025 63.265 7.478 4.560 26792578 63.621 0.955 4.249 24298228 63.625 4.257 4.250 148428800 63.632 8.760 4.249 81068048 63.637 2.307 4.250 44535112 63.652 1.744 4.250 32471926 63.668 2.149 4.249 18447208 63.671 1.974 4.249 17158548 63.737 3.616 4.245 9042893 63.933 8.382 3.560 5333874 63.959 4.552 4.288 15999454 64.013 3.836 3.822 96366368 64.030 4.567 3.588 15004516 64.033 4.570 3.666 12269267 64.036 4.555 3.821 24135264 64.038 8.353 3.823 17254056 64.038 8.350 4.302 6990320 64.038 4.314 4.296 16726426 64.038 3.828 4.293 18355824 64.038 4.296 3.818 21670932 64.056 8.849 3.574 14359517 64.057 0.949 3.571 9231729 64.057 1.818 3.664 5580356 64.093 3.599 3.674 29726594 64.117 8.845 3.670 10500783 64.125 3.662 3.659 32082216 64.142 1.811 3.571 12496388 64.151 3.629 3.581 43165764 64.163 8.373 3.660 5347585 64.173 0.956 3.664 10739818 64.186 2.132 3.578 7560762 65.357 4.218 4.206 155104352 65.359 1.943 4.208 22504724 65.359 2.325 4.210 41866556 65.359 2.072 4.207 14899675 65.371 1.811 4.209 26307766 65.397 7.346 4.213 8248620 65.521 2.769 4.202 5189489 65.530 3.370 4.209 5151590 65.600 9.631 4.096 7318352 65.607 4.598 4.095 29580944 65.626 9.624 4.538 5956994 65.629 9.558 4.095 8916732 65.629 9.519 4.538 10218638 65.631 4.576 4.540 24344720 65.639 4.096 4.552 16988402 66.563 7.513 2.614 6278684 66.566 3.014 2.612 13886452 66.566 1.473 2.608 26160104 66.567 7.150 2.610 16844990 66.571 2.613 2.611 219754272 66.576 1.641 2.608 13420149 66.576 0.428 2.612 66269520 66.583 -0.293 2.612 61364936 66.596 7.798 2.611 30112244 66.601 8.213 2.608 10413111 66.604 7.667 2.608 13268570 66.640 3.306 2.610 20989628 67.044 4.357 3.750 16907792 67.097 1.240 3.756 90679008 67.099 2.735 3.756 22510362 67.123 7.517 3.753 23633408 67.131 3.773 3.755 277133888 67.136 8.099 3.755 34158264 67.136 7.461 3.754 18979692 67.136 8.210 3.755 11819797 68.282 0.749 4.351 14616012 68.307 3.914 4.355 11609066 68.320 7.473 4.353 16388129 68.322 8.099 4.350 20121126 68.327 4.353 4.350 41078424 68.355 1.240 4.352 43947412 68.423 3.776 4.360 9419725 69.184 4.797 4.146 48737248 69.197 4.365 4.145 11145695 69.198 0.804 4.146 6449849 69.214 9.163 4.145 27778888 69.218 1.364 4.144 48820952 69.229 4.151 4.145 85488008 70.253 7.764 4.305 7728740 70.284 5.270 3.781 19248750 70.288 9.319 3.785 12296174 70.320 1.665 3.779 20588678 70.321 4.561 4.297 69864000 70.333 1.386 3.779 92480752 70.334 4.301 4.296 186968160 70.341 1.148 4.296 120706784 70.345 3.792 3.781 181719728 70.353 8.263 3.778 38834252 70.581 5.466 4.407 15352811 70.602 4.418 4.412 27245158 70.622 1.289 4.409 37457824 70.680 8.086 4.405 13360701 71.037 7.895 4.160 68298608 71.038 8.317 4.163 24596838 71.043 1.134 4.162 178292160 71.046 4.559 4.162 94716040 ; 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.Encoding_code _Spectral_dim.Encoded_source_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 Caliph 1 14108.625 . . 17175 2 2 H 1 H 2 10201.248 . . 17175 2 3 H 1 HC 1 15243.902 . . 17175 2 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 7 $SPARKY . . 17175 2 stop_ save_ save_Cnoesy_arom.list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Cnoesy_arom.list _Spectral_peak_list.Entry_ID 17175 _Spectral_peak_list.ID 3 _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 3 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 112.916 6.405 7.232 17635052 112.933 1.013 7.234 17600748 114.274 1.721 7.390 9952567 114.444 1.878 7.392 10833761 114.445 6.821 7.392 46137556 114.452 10.394 7.392 22685192 114.549 1.496 7.399 14443455 114.630 10.398 7.393 23160240 117.760 3.330 5.952 12698299 117.883 2.778 5.942 17881570 117.909 3.141 5.939 9207101 118.030 3.843 5.951 8438645 120.627 3.030 7.109 12862856 120.639 2.784 7.114 12333595 124.220 7.387 6.831 46035968 124.263 6.478 6.836 34845036 124.434 1.920 6.817 15150356 124.557 1.508 6.838 14290169 125.294 8.171 7.163 20993562 125.327 10.406 7.163 48367236 125.353 2.092 7.163 21744110 126.789 2.088 7.058 9139723 126.813 10.559 7.089 10590185 126.943 2.786 7.072 13516546 128.219 1.025 6.570 19774202 128.223 0.829 6.564 19044334 128.255 6.353 6.566 14159102 128.375 0.819 6.558 19183000 128.584 1.037 6.908 21964476 128.658 1.651 6.911 27843762 128.711 0.820 6.914 17638848 129.599 7.315 7.180 262574608 129.614 1.419 7.175 14174988 129.705 1.006 7.164 10850953 130.202 6.358 6.608 32390048 130.202 1.652 6.604 9522154 130.202 1.008 6.606 12201639 130.202 0.789 6.601 8728663 130.404 1.244 7.019 11209380 130.411 1.655 7.002 34979152 130.422 1.043 7.003 26685172 130.422 -0.313 7.002 9250596 130.463 0.811 7.003 28618328 130.476 3.311 7.006 8200644 130.487 7.155 6.998 113385952 130.773 2.344 6.534 12311436 130.805 6.538 6.538 99586376 130.825 8.638 6.534 13033608 130.843 4.655 6.529 9686419 130.843 4.524 6.531 9552916 130.843 2.729 6.545 9955301 130.843 0.807 6.538 18969212 130.848 9.063 6.537 7228352 130.889 2.562 6.337 13061185 130.889 3.731 6.334 9243551 130.889 0.916 6.337 18847912 130.889 1.652 6.341 8848831 130.901 2.837 6.537 12736817 131.208 4.615 7.150 56666496 131.269 3.016 7.149 30453100 131.341 -0.292 7.149 10259074 131.341 0.430 7.153 14341732 131.341 0.815 7.151 13900132 131.341 1.227 7.155 13238693 131.341 1.617 7.157 17009992 131.341 2.610 7.157 12699052 131.341 3.298 7.149 24023354 131.341 6.980 7.162 128688280 131.350 3.105 7.319 21674362 131.350 1.420 7.319 26040390 131.709 6.940 7.451 31338414 131.953 8.312 7.317 18310320 132.098 5.067 7.321 42252688 132.154 8.319 7.319 16002908 132.162 8.233 7.318 16884388 132.176 3.013 7.271 33545748 132.176 2.847 7.271 15492758 132.176 5.167 7.276 15375634 132.176 5.539 7.284 8784834 132.185 3.125 7.321 88622896 132.200 8.816 7.267 6663824 132.360 3.057 6.952 15503232 132.360 2.475 6.952 13716286 132.398 7.901 6.956 8057280 135.641 2.741 8.011 27897868 135.660 8.000 8.004 168566640 135.671 2.792 8.009 22413068 136.110 8.156 8.157 520930496 ; 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.Encoding_code _Spectral_dim.Encoded_source_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 Carom 1 6413.526 . . 17175 3 2 H 1 H 2 10201.248 . . 17175 3 3 H 1 HC 1 15243.902 . . 17175 3 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 7 $SPARKY . . 17175 3 stop_ save_ save_4D_ccnoesy.list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode 4D_ccnoesy.list _Spectral_peak_list.Entry_ID 17175 _Spectral_peak_list.ID 4 _Spectral_peak_list.Sample_ID 3 _Spectral_peak_list.Sample_label $NC_sample_in_D2O _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 16 _Spectral_peak_list.Experiment_name '4D CC NOESY' _Spectral_peak_list.Number_of_spectral_dimensions 4 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 w4 Data Height 13.617 25.013 0.838 1.034 185026 13.617 16.898 1.402 1.054 -35715 13.617 24.692 1.377 0.869 57678 13.617 29.079 1.645 1.012 -285306 13.617 29.079 1.645 1.012 -285306 13.617 29.079 1.645 1.012 -285306 13.617 29.079 1.645 1.012 -285306 13.617 16.730 0.275 0.875 19614 13.617 26.851 0.892 0.924 -43515 13.869 21.405 1.545 0.898 27024 13.982 16.962 1.647 0.900 111619 14.007 32.841 -0.474 5.943 32669 14.020 14.158 5.932 5.943 52904 14.025 26.832 1.772 0.901 33339 14.060 21.337 1.542 0.940 32586 14.127 18.155 2.022 0.912 -23014 14.232 16.565 0.847 0.914 180220 14.286 17.037 1.644 1.064 44381 14.292 27.173 1.249 1.033 22755 14.307 31.923 1.835 1.064 17071 14.325 17.248 0.994 1.046 121365 14.330 26.999 -0.026 1.045 -20023 14.331 27.139 0.605 1.047 67058 14.335 31.893 1.777 1.045 14626 14.348 14.321 1.034 1.046 931781 14.376 23.771 0.741 1.047 79410 14.376 27.190 1.715 1.047 17531 14.427 29.024 1.139 0.933 36909 14.440 20.858 3.089 0.927 -47528 14.461 26.168 1.556 0.917 18331 14.487 24.298 0.814 0.921 45290 14.512 22.722 1.505 0.926 -26742 14.521 26.425 1.264 0.942 16988 14.549 16.802 1.412 1.069 -21503 14.566 29.115 1.644 0.928 48998 14.681 14.764 4.834 0.927 14640 14.699 14.730 2.193 0.911 -66225 14.802 14.814 4.274 5.961 44747 14.802 14.812 4.290 0.923 -12927 14.845 24.420 1.348 1.054 -16029 14.939 15.039 2.364 0.948 -37362 15.584 16.785 2.049 0.842 59506 15.709 16.951 2.051 0.878 -19455 15.911 28.889 0.722 0.874 -14849 15.964 29.034 1.154 0.880 17338 15.991 29.021 1.654 0.875 33446 16.016 26.829 0.912 0.871 33358 16.048 22.857 1.495 0.866 -23016 16.160 29.026 1.122 0.865 17405 16.381 25.423 0.857 0.885 -31547 16.389 16.402 0.192 7.104 455874 16.400 24.360 1.390 0.881 16068 16.495 18.202 2.010 0.862 -29993 16.731 14.035 0.902 0.855 194265 16.757 20.941 0.079 0.337 19556 16.774 32.845 -0.437 0.327 -168011 16.777 16.315 1.438 0.327 -88718 16.780 28.769 1.332 0.332 17552 16.781 23.634 1.000 0.328 62291 16.791 26.961 1.203 0.854 22914 16.807 26.850 0.950 0.852 28212 16.811 19.342 5.523 0.854 25036 16.813 21.487 3.713 0.325 49916 16.818 29.170 3.025 7.100 -17263 16.838 16.836 2.048 0.841 -789386 16.851 16.851 2.047 0.346 -212436 16.857 26.940 1.764 0.850 22817 16.873 25.784 0.720 0.850 45633 16.873 16.862 2.043 0.878 226321 16.885 16.872 2.052 7.109 45991 16.903 16.888 0.842 0.849 1065537 16.949 14.015 4.252 0.324 17081 17.159 17.012 1.633 0.341 -32281 17.176 17.600 1.828 1.008 -26741 17.184 27.029 1.214 1.004 21647 17.196 21.252 1.528 0.854 15798 17.249 23.649 0.725 1.007 28668 17.258 14.303 1.039 1.008 131685 17.269 25.216 0.785 1.007 182051 17.328 20.057 5.274 1.002 31527 17.356 27.141 1.736 1.007 21062 17.403 27.953 1.973 1.575 20189 17.435 29.528 3.581 1.573 -44050 17.474 17.472 1.563 1.573 2858283 17.477 30.142 4.547 1.573 -80402 17.489 29.564 3.833 1.576 -38812 17.493 21.616 2.988 1.572 -27919 17.523 16.304 3.029 1.599 -31136 17.575 24.982 0.827 1.572 -24583 17.927 24.654 0.783 1.601 -17513 18.090 16.898 2.042 1.557 50251 18.244 24.749 0.808 1.575 -17982 18.679 18.674 0.067 0.930 -21442 18.719 29.666 1.378 0.940 35055 18.778 31.817 3.906 0.939 -93197 18.782 30.808 1.137 0.941 27515 18.782 13.617 2.135 0.940 -92775 18.784 22.426 3.630 0.940 23016 18.793 14.841 4.572 0.935 22715 18.833 29.637 1.822 0.942 36897 19.103 18.353 3.323 1.219 23074 19.193 27.168 0.597 1.340 17127 19.204 33.131 1.714 1.325 20129 19.215 27.125 0.603 1.216 153653 19.217 33.639 4.039 1.218 -214382 19.223 14.719 2.198 1.329 -25944 19.229 23.655 0.786 1.216 252561 19.248 13.617 4.398 1.326 29834 19.249 23.682 0.792 1.335 25409 19.271 19.271 1.322 0.928 -403642 19.275 31.635 4.237 1.326 -600545 19.278 25.118 0.845 1.216 68041 19.280 27.200 0.012 1.228 -18113 19.292 14.785 4.215 1.329 32828 19.306 19.230 6.429 1.326 42339 19.329 21.441 1.546 1.218 -33476 19.356 27.081 1.545 1.223 13976 19.370 21.050 1.203 1.216 91483 19.440 30.332 1.874 1.326 22544 19.467 22.096 1.206 1.218 39561 19.620 32.269 2.517 1.330 12942 20.768 31.430 0.354 6.837 -24054 20.781 20.763 -0.190 6.820 45550 20.961 21.083 6.427 0.088 15261 20.978 23.655 0.997 0.097 137635 20.980 19.316 4.506 0.094 35029 20.984 20.984 0.087 0.097 1103717 21.002 21.610 3.720 0.093 24645 21.020 15.675 1.590 0.101 -51768 21.079 16.950 1.429 0.096 27423 21.113 19.482 3.097 1.119 -19885 21.127 21.113 0.109 0.417 64872 21.134 21.180 2.938 0.123 -100318 21.138 14.818 4.220 1.119 37017 21.162 21.163 2.938 1.214 -213937 21.170 21.179 2.938 1.528 -322490 21.171 21.171 2.937 1.256 -246121 21.188 21.710 1.495 0.408 -17107 21.195 19.233 4.549 1.117 156658 21.204 14.673 2.192 1.117 -33603 21.209 15.574 5.068 1.116 33065 21.218 15.001 5.288 1.532 21168 21.226 21.237 1.121 0.403 -167983 21.234 14.382 0.898 1.533 25193 21.234 33.621 2.401 0.414 16159 21.244 33.304 4.420 1.118 -29876 21.244 21.522 1.537 0.433 -18590 21.258 21.264 6.433 1.123 38344 21.275 21.231 1.119 0.080 -48466 21.279 30.076 5.872 1.530 -35475 21.280 21.198 2.943 0.420 -229012 21.289 21.250 1.116 -0.285 -61745 21.294 21.694 4.548 1.132 105263 21.296 28.762 4.276 1.133 218419 21.302 29.444 1.650 0.419 101676 21.309 26.266 1.254 1.533 24686 21.312 27.770 0.120 0.426 -23535 21.315 14.026 4.227 0.418 28214 21.335 32.741 1.877 0.428 26488 21.336 31.216 1.452 0.420 86382 21.339 25.117 2.598 0.418 94951 21.341 21.794 -0.305 0.419 351841 21.353 25.284 1.527 0.424 29702 21.356 17.079 1.643 0.416 35302 21.358 21.238 2.946 -0.283 -95450 21.370 19.872 2.500 1.133 -21440 21.380 24.051 0.773 0.419 29382 21.382 16.891 3.629 0.418 25351 21.382 21.578 6.469 0.417 0 21.392 21.420 1.526 0.122 -21681 21.402 27.201 1.539 1.219 19891 21.406 27.075 1.554 1.547 -465779 21.410 14.239 4.185 1.547 -170381 21.418 24.294 0.781 1.543 -169008 21.444 25.034 0.836 0.419 30593 21.498 27.133 0.602 1.227 61232 21.507 21.418 6.433 1.229 18795 21.512 25.582 3.751 1.227 109510 21.520 23.670 0.755 1.227 200536 21.525 14.992 4.189 1.232 59288 21.536 26.769 4.341 1.226 93364 21.549 15.420 2.313 7.163 18963 21.599 21.614 0.143 7.152 99776 21.604 29.598 2.353 7.142 -16436 21.661 29.097 1.662 1.218 20276 21.671 21.450 1.535 -0.291 -18862 21.716 18.364 3.313 1.229 19352 21.739 21.782 6.469 -0.298 0 21.785 31.282 1.454 -0.297 81195 21.800 33.377 2.399 -0.298 14644 21.806 32.471 1.950 -0.284 15801 21.816 25.081 0.834 -0.294 27467 21.818 16.888 3.624 -0.296 50861 21.820 25.128 2.594 -0.295 98715 21.833 17.009 1.645 -0.296 59374 21.839 21.322 0.411 -0.295 305636 21.881 27.580 0.129 -0.296 -19390 21.931 26.952 -0.011 -0.297 -15930 22.633 22.620 6.469 1.262 0 22.960 17.117 5.451 1.256 61628 22.969 32.253 1.899 1.256 48814 22.970 29.112 4.400 1.256 68047 22.976 33.789 2.510 1.254 33113 22.981 33.987 5.088 1.254 0 22.996 33.987 2.090 1.255 0 23.024 21.127 2.951 1.253 -16972 23.059 17.120 5.472 1.352 25509 23.113 23.023 6.469 1.351 0 23.255 23.205 1.347 0.739 -49910 23.259 23.319 6.469 1.261 0 23.274 27.711 4.131 1.352 160757 23.280 24.659 1.378 1.374 -430232 23.284 29.101 4.404 1.352 52947 23.287 23.396 0.073 7.068 21880 23.314 21.719 4.806 1.347 15994 23.332 24.548 5.916 0.806 34263 23.364 28.993 1.617 1.365 -60258 23.413 33.192 1.694 1.362 -22685 23.523 26.797 2.757 1.002 -17578 23.532 23.328 5.950 0.789 -26367 23.556 33.987 4.363 0.801 0 23.564 27.212 1.233 0.799 92402 23.588 24.511 2.579 0.987 -21589 23.594 27.114 0.603 0.800 329838 23.608 26.228 1.343 0.800 -50803 23.608 21.500 1.221 0.799 130230 23.615 32.860 -0.429 1.001 -28724 23.619 15.689 1.595 1.001 -37237 23.626 19.217 1.214 0.799 264242 23.627 30.133 0.224 1.004 27445 23.627 25.694 0.764 0.995 32051 23.655 26.777 4.354 0.731 24600 23.657 23.652 0.992 1.002 613140 23.657 20.990 0.090 1.002 138881 23.665 18.345 3.328 0.741 24045 23.668 24.374 2.589 1.025 -15547 23.670 32.788 1.641 0.743 21203 23.673 26.798 2.579 1.008 -15254 23.680 14.330 1.031 0.799 42074 23.690 27.214 1.236 0.734 24627 23.691 16.802 0.326 1.002 44727 23.691 21.510 1.221 0.735 129738 23.692 21.511 3.725 1.007 22062 23.695 15.082 4.190 0.734 52669 23.707 25.657 0.773 1.011 30940 23.707 31.605 1.818 0.741 16330 23.711 19.415 4.509 0.993 19258 23.715 27.110 0.604 0.735 106414 23.734 18.379 3.319 0.803 22623 23.741 16.985 1.651 0.743 27373 23.744 14.308 1.037 0.735 50950 23.889 24.016 6.469 0.774 0 23.955 23.950 0.779 1.000 1064580 23.957 23.962 0.779 1.339 485014 23.999 14.255 4.186 0.778 334726 24.003 27.084 1.550 0.777 264915 24.003 21.756 -0.300 0.772 27302 24.008 21.406 1.537 0.778 -297153 24.068 19.368 1.333 1.342 -34786 24.090 29.042 3.153 0.783 16537 24.373 24.373 6.030 0.809 29856 24.394 19.888 5.265 1.375 44497 24.396 28.694 3.760 1.376 161034 24.413 16.804 2.239 1.376 -20315 24.462 16.897 1.643 0.812 41986 24.478 20.829 3.096 0.818 -46294 24.486 21.441 2.964 1.377 -98741 24.560 32.239 5.112 0.813 -62521 24.580 14.244 0.919 0.810 69058 24.622 29.014 3.217 0.870 9863 24.678 24.823 6.469 1.384 0 24.695 24.756 1.382 6.538 28180 24.698 29.026 1.622 1.384 2295614 24.700 24.707 -0.440 6.566 51230 24.706 33.247 1.375 1.386 166666 24.707 33.157 1.703 1.368 606101 24.727 14.845 4.279 1.386 76958 24.805 26.710 -0.416 6.557 24351 24.967 14.694 2.197 0.822 -53609 24.984 29.271 1.501 0.820 195247 24.986 15.514 4.511 0.820 80031 25.004 21.725 -0.313 0.844 36880 25.027 33.707 1.580 0.812 23061 25.032 25.056 6.427 0.843 30737 25.035 27.024 -0.474 0.806 -24212 25.036 14.687 1.926 0.820 -50117 25.047 28.811 3.129 0.845 23884 25.071 14.260 4.184 0.851 175375 25.081 19.253 1.214 0.851 82118 25.081 17.263 1.002 0.818 105185 25.087 27.075 1.550 0.849 289827 25.107 25.165 -0.099 6.906 116568 25.117 26.951 -0.018 6.906 37159 25.172 16.949 1.652 6.904 -30106 25.249 21.472 2.524 0.785 -45791 25.265 31.193 5.495 0.781 -34079 25.270 27.781 -0.030 0.787 -34134 25.276 17.259 1.004 0.782 155633 25.286 33.987 1.830 0.784 0 25.292 27.148 -0.474 0.784 -34525 25.294 29.249 1.503 0.785 125637 25.304 25.229 6.430 0.792 21813 25.307 21.431 2.686 0.784 -38381 25.324 14.841 2.206 0.786 -32875 25.339 28.102 0.346 0.786 26440 25.402 14.299 1.041 6.903 -17784 25.427 15.121 0.776 0.740 -18340 25.474 14.549 1.889 0.785 -30591 25.508 14.232 1.006 0.748 48136 25.513 14.088 1.519 0.754 -21899 25.515 17.008 1.649 0.746 36847 25.517 16.860 0.847 0.743 61335 25.531 25.607 5.925 0.858 19410 25.555 21.542 1.226 0.741 20278 25.576 27.630 1.497 0.744 65574 25.609 22.273 1.768 0.750 -18220 25.616 14.999 4.182 0.748 25316 25.621 22.659 1.491 0.735 -20542 26.004 32.738 5.933 0.809 -8894 26.216 16.947 1.430 7.161 -34577 26.218 26.220 0.168 7.167 1153782 26.295 27.989 0.301 7.175 136246 26.534 27.279 6.345 6.600 25092 26.668 26.733 -0.392 6.608 56561 26.690 20.990 3.721 0.943 17539 26.777 24.737 -0.426 6.612 26462 26.780 27.410 6.316 0.913 -19328 26.795 27.364 1.640 0.917 29072 26.814 13.988 0.895 0.916 72900 26.824 16.010 0.882 0.916 30071 26.828 16.990 1.646 0.919 101033 26.839 25.035 0.788 6.610 -23106 26.863 17.030 1.652 6.603 -20637 26.898 16.995 1.645 6.986 -34245 26.916 25.210 -0.079 6.995 66306 26.918 26.965 -0.005 6.991 315828 26.928 21.823 -0.297 6.991 -25797 26.948 14.276 1.044 6.983 -22375 26.959 26.956 -0.394 0.926 -17355 27.064 21.423 0.397 7.020 -15279 27.098 27.109 0.618 0.935 55908 27.112 19.249 1.213 0.609 159546 27.114 25.205 0.783 6.525 -34549 27.117 26.428 1.363 0.612 -34944 27.118 14.337 1.037 0.611 54781 27.118 18.458 3.331 0.607 36571 27.127 27.121 0.604 0.608 1174119 27.128 23.598 0.784 0.609 327475 27.130 21.466 1.224 0.606 64849 27.137 27.211 1.234 0.607 41677 27.185 16.957 1.641 6.334 -25295 27.298 27.273 -0.474 6.524 39314 27.316 27.338 6.320 6.344 52013 27.344 17.110 1.650 6.351 -23419 27.385 26.561 -0.388 6.332 24309 27.386 26.736 0.920 6.328 -20577 27.492 21.866 -0.322 6.329 -17351 27.616 16.396 4.608 7.131 -21108 27.653 25.155 0.796 6.975 -44852 27.695 20.946 0.064 7.135 -17214 27.699 16.877 1.437 7.129 -16933 27.700 21.842 -0.314 7.139 -21615 27.702 16.467 0.223 7.431 32365 27.713 21.313 0.411 7.143 -31047 27.718 19.244 1.215 7.149 -24698 27.749 17.623 3.017 7.140 17424 27.760 16.362 0.210 7.475 48420 27.765 23.873 0.768 7.143 -25716 27.807 27.799 0.135 7.143 538516 27.807 25.038 0.821 7.148 -28125 27.815 21.663 1.557 7.139 17089 27.833 25.356 2.605 7.143 -19122 27.854 16.968 1.633 7.138 -20291 27.875 16.281 4.605 7.147 -27158 27.885 19.562 3.115 7.318 50624 27.885 15.563 5.059 7.318 -24735 27.885 16.479 0.186 7.318 17842 27.919 16.873 1.433 7.459 -19242 28.037 24.368 1.379 7.157 -20213 28.090 16.903 1.432 7.162 -18991 28.168 28.772 -0.089 7.437 23767 28.194 16.904 1.406 7.444 -17554 28.228 16.401 0.213 7.146 -29203 28.230 16.922 1.422 7.306 -53708 28.244 27.954 0.294 7.455 137048 28.501 30.220 1.889 7.309 -23245 28.507 19.613 3.119 7.308 113242 28.521 15.533 5.054 7.307 -63964 28.615 19.381 1.303 7.317 -16218 28.664 15.896 5.163 7.265 -15498 28.688 27.935 0.314 7.316 1567540 28.688 26.151 0.171 7.316 85298 28.688 29.287 3.168 7.316 18665 28.704 21.096 1.099 7.310 -18399 28.711 29.204 3.182 7.264 17944 28.823 20.993 0.063 6.951 -19437 28.895 29.037 -0.067 6.947 67331 28.913 16.920 1.422 6.939 -29178 28.995 27.938 0.458 6.942 18829 29.197 29.322 3.174 7.237 29975 29.207 28.876 1.651 7.278 19929 29.231 29.268 3.174 7.324 25009 29.267 29.208 3.173 6.948 34577 30.136 23.637 0.980 7.233 15847 30.218 30.100 0.230 7.222 33703 30.666 16.398 0.027 7.228 44745 30.668 16.196 0.223 7.226 404070 31.468 20.721 -0.189 7.382 -26156 31.533 31.547 0.375 7.378 109431 31.946 31.955 1.012 8.009 37014 32.365 32.356 1.159 8.158 183484 32.553 32.774 1.564 8.162 143404 32.730 21.025 0.081 -0.432 -24030 32.794 23.628 0.998 -0.434 -32569 32.799 14.127 5.926 -0.434 26454 32.842 16.128 1.447 -0.433 55609 32.850 32.842 -0.439 -0.433 1173187 32.863 28.850 0.225 -0.439 -22258 32.866 16.764 0.326 -0.433 -156324 32.873 28.753 1.316 -0.428 -24610 33.021 21.485 3.720 -0.440 -21016 33.058 19.365 1.317 -0.452 20705 ; 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.Encoding_code _Spectral_dim.Encoded_source_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 Caliph 1 3121.342 . . 17175 4 2 C 13 C 2 3121.342 . . 17175 4 3 H 1 HC 2 4197.272 . . 17175 4 4 H 1 HC 1 8000 . . 17175 4 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 7 $SPARKY . . 17175 4 stop_ save_