data_30309 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30309 _Entry.Title ; Solution Structure of XPH1, a Hybrid Sequence of Xfaso 1 and Pfl 6, Two Cro Proteins With Different Folds ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-06-22 _Entry.Accession_date 2017-06-22 _Entry.Last_release_date 2017-08-14 _Entry.Original_release_date 2017-08-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 V. Kumirov V. K. . . 30309 2 E. Dykstra E. M. . . 30309 3 M. Cordes M. H. . . 30309 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'conformational switch' . 30309 'disulfide bond' . 30309 helix-turn-helix . 30309 'metamorphic protein' . 30309 'structural evolution' . 30309 'transcription factor' . 30309 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30309 spectral_peak_list 3 30309 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 255 30309 '15N chemical shifts' 77 30309 '1H chemical shifts' 473 30309 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-05-09 2017-06-22 update BMRB 'update entry citation' 30309 1 . . 2018-07-03 2017-06-22 original author 'original release' 30309 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5W8Y 'BMRB Entry Tracking System' 30309 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30309 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30051937 _Citation.Full_citation . _Citation.Title ; Multistep mutational transformation of a protein fold through structural intermediates ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein science : a publication of the Protein Society' _Citation.Journal_volume 27 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1469-896X _Citation.Journal_CSD 0353 _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 1767 _Citation.Page_last 1779 _Citation.Year 2018 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 V. Kumirov V. K. . . 30309 1 2 E. Dykstra E. M. . . 30309 1 3 B. Hall B. M. . . 30309 1 4 W. Anderson W. J. . . 30309 1 5 T. Szyszka T. N. . . 30309 1 6 M. Cordes M. H. . . 30309 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30309 _Assembly.ID 1 _Assembly.Name 'protein XPH1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 entity_1 1 $entity_1 A A yes . . . . . . 30309 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 42 42 SG . 1 . 1 CYS 55 55 SG . . . . . . . . . . . . 30309 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30309 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MNAIDIAINKLGSVSALAAA LGVNQSAISQWRARGRVPAG RCIDIELYTDGRVECRELRP DVFGALEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 73 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation S20A,R24N,N30Q,E40G,R47L,V48Y,N50D,A52R,I54E _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8036.125 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 30309 1 2 . ASN . 30309 1 3 . ALA . 30309 1 4 . ILE . 30309 1 5 . ASP . 30309 1 6 . ILE . 30309 1 7 . ALA . 30309 1 8 . ILE . 30309 1 9 . ASN . 30309 1 10 . LYS . 30309 1 11 . LEU . 30309 1 12 . GLY . 30309 1 13 . SER . 30309 1 14 . VAL . 30309 1 15 . SER . 30309 1 16 . ALA . 30309 1 17 . LEU . 30309 1 18 . ALA . 30309 1 19 . ALA . 30309 1 20 . ALA . 30309 1 21 . LEU . 30309 1 22 . GLY . 30309 1 23 . VAL . 30309 1 24 . ASN . 30309 1 25 . GLN . 30309 1 26 . SER . 30309 1 27 . ALA . 30309 1 28 . ILE . 30309 1 29 . SER . 30309 1 30 . GLN . 30309 1 31 . TRP . 30309 1 32 . ARG . 30309 1 33 . ALA . 30309 1 34 . ARG . 30309 1 35 . GLY . 30309 1 36 . ARG . 30309 1 37 . VAL . 30309 1 38 . PRO . 30309 1 39 . ALA . 30309 1 40 . GLY . 30309 1 41 . ARG . 30309 1 42 . CYS . 30309 1 43 . ILE . 30309 1 44 . ASP . 30309 1 45 . ILE . 30309 1 46 . GLU . 30309 1 47 . LEU . 30309 1 48 . TYR . 30309 1 49 . THR . 30309 1 50 . ASP . 30309 1 51 . GLY . 30309 1 52 . ARG . 30309 1 53 . VAL . 30309 1 54 . GLU . 30309 1 55 . CYS . 30309 1 56 . ARG . 30309 1 57 . GLU . 30309 1 58 . LEU . 30309 1 59 . ARG . 30309 1 60 . PRO . 30309 1 61 . ASP . 30309 1 62 . VAL . 30309 1 63 . PHE . 30309 1 64 . GLY . 30309 1 65 . ALA . 30309 1 66 . LEU . 30309 1 67 . GLU . 30309 1 68 . HIS . 30309 1 69 . HIS . 30309 1 70 . HIS . 30309 1 71 . HIS . 30309 1 72 . HIS . 30309 1 73 . HIS . 30309 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 30309 1 . ASN 2 2 30309 1 . ALA 3 3 30309 1 . ILE 4 4 30309 1 . ASP 5 5 30309 1 . ILE 6 6 30309 1 . ALA 7 7 30309 1 . ILE 8 8 30309 1 . ASN 9 9 30309 1 . LYS 10 10 30309 1 . LEU 11 11 30309 1 . GLY 12 12 30309 1 . SER 13 13 30309 1 . VAL 14 14 30309 1 . SER 15 15 30309 1 . ALA 16 16 30309 1 . LEU 17 17 30309 1 . ALA 18 18 30309 1 . ALA 19 19 30309 1 . ALA 20 20 30309 1 . LEU 21 21 30309 1 . GLY 22 22 30309 1 . VAL 23 23 30309 1 . ASN 24 24 30309 1 . GLN 25 25 30309 1 . SER 26 26 30309 1 . ALA 27 27 30309 1 . ILE 28 28 30309 1 . SER 29 29 30309 1 . GLN 30 30 30309 1 . TRP 31 31 30309 1 . ARG 32 32 30309 1 . ALA 33 33 30309 1 . ARG 34 34 30309 1 . GLY 35 35 30309 1 . ARG 36 36 30309 1 . VAL 37 37 30309 1 . PRO 38 38 30309 1 . ALA 39 39 30309 1 . GLY 40 40 30309 1 . ARG 41 41 30309 1 . CYS 42 42 30309 1 . ILE 43 43 30309 1 . ASP 44 44 30309 1 . ILE 45 45 30309 1 . GLU 46 46 30309 1 . LEU 47 47 30309 1 . TYR 48 48 30309 1 . THR 49 49 30309 1 . ASP 50 50 30309 1 . GLY 51 51 30309 1 . ARG 52 52 30309 1 . VAL 53 53 30309 1 . GLU 54 54 30309 1 . CYS 55 55 30309 1 . ARG 56 56 30309 1 . GLU 57 57 30309 1 . LEU 58 58 30309 1 . ARG 59 59 30309 1 . PRO 60 60 30309 1 . ASP 61 61 30309 1 . VAL 62 62 30309 1 . PHE 63 63 30309 1 . GLY 64 64 30309 1 . ALA 65 65 30309 1 . LEU 66 66 30309 1 . GLU 67 67 30309 1 . HIS 68 68 30309 1 . HIS 69 69 30309 1 . HIS 70 70 30309 1 . HIS 71 71 30309 1 . HIS 72 72 30309 1 . HIS 73 73 30309 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 30309 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 155920 organism . 'Xylella fastidiosa subsp. sandyi Ann-1' 'Xylella fastidiosa subsp. sandyi Ann-1' . . Bacteria . Xylella fastidiosa . . . . . . . . . . . 'D934_07735, D934_08955' . 30309 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 30309 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 469008 Escherichia coli BL21(DE3) . . plasmid . . pET21b . . . 30309 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30309 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.4 mM [U-13C; U-15N] XPH1, 50 mM NA- potassium phosphate, 150 mM NA- potassium chloride, 0.01 % NA- sodium azide, 0.1 mM NA- DSS, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 30309 1 2 XPH1 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.4 . . mM . . . . 30309 1 3 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 30309 1 4 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 30309 1 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 30309 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30309 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.4 mM [U-13C; U-15N] XPH1, 50 mM NA- potassium phosphate, 150 mM NA- potassium chloride, 0.01 % NA- sodium azide, 0.1 mM NA- DSS, 100% D2O ; _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 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 30309 2 2 XPH1 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.4 . . mM . . . . 30309 2 3 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 30309 2 4 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 30309 2 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 30309 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30309 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.6 mM [U-13C; U-15N] XPH1, 50 mM NA- potassium phosphate, 150 mM NA- potassium chloride, 0.01 % NA- sodium azide, 0.1 mM NA- DSS, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 30309 3 2 XPH1 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.6 . . mM . . . . 30309 3 3 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 30309 3 4 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 30309 3 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 30309 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 30309 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.8 mM [U-10% 13C] XPH1, 50 mM NA- potassium phosphate, 150 mM NA- potassium chloride, 0.01 % NA- sodium azide, 0.1 mM NA- DSS, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 30309 4 2 XPH1 '[U-10% 13C]' . . 1 $entity_1 . . 1.8 . . mM . . . . 30309 4 3 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 30309 4 4 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 30309 4 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 30309 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 30309 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 30309 1 pH 6.5 . pH 30309 1 pressure 1 . atm 30309 1 temperature 293 . K 30309 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30309 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 30309 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30309 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30309 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30309 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30309 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30309 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30309 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30309 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30309 _Software.ID 4 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30309 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30309 4 'peak picking' 30309 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30309 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30309 _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 NMR_spectrometer_1 Varian INOVA . 600 . . . 30309 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 30309 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 3D_15N-separated_NOESY no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30309 1 2 3D_13C-separated_NOESY no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30309 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30309 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30309 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30309 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30309 1 7 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30309 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30309 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30309 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30309 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30309 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30309 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30309 _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 $chem_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 3D_15N-separated_NOESY . . . 30309 1 2 3D_13C-separated_NOESY . . . 30309 1 3 '3D HNCO' . . . 30309 1 4 '3D HNCACB' . . . 30309 1 5 '3D CBCA(CO)NH' . . . 30309 1 6 '3D HCCH-TOCSY' . . . 30309 1 7 '2D 1H-13C HSQC aliphatic' . . . 30309 1 8 '2D 1H-15N HSQC' . . . 30309 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.088 0.007 . 1 . . . . A 1 MET HA . 30309 1 2 . 1 1 1 1 MET HB2 H 1 2.086 0.006 . 2 . . . . A 1 MET HB2 . 30309 1 3 . 1 1 1 1 MET HB3 H 1 2.086 0.006 . 2 . . . . A 1 MET HB3 . 30309 1 4 . 1 1 1 1 MET HG2 H 1 2.558 0.006 . 2 . . . . A 1 MET HG2 . 30309 1 5 . 1 1 1 1 MET HG3 H 1 2.558 0.006 . 2 . . . . A 1 MET HG3 . 30309 1 6 . 1 1 1 1 MET HE1 H 1 2.030 0.000 . 1 . . . . A 1 MET HE1 . 30309 1 7 . 1 1 1 1 MET HE2 H 1 2.030 0.000 . 1 . . . . A 1 MET HE2 . 30309 1 8 . 1 1 1 1 MET HE3 H 1 2.030 0.000 . 1 . . . . A 1 MET HE3 . 30309 1 9 . 1 1 1 1 MET C C 13 173.266 0.000 . 1 . . . . A 1 MET C . 30309 1 10 . 1 1 1 1 MET CA C 13 55.287 0.088 . 1 . . . . A 1 MET CA . 30309 1 11 . 1 1 1 1 MET CG C 13 31.423 0.044 . 1 . . . . A 1 MET CG . 30309 1 12 . 1 1 1 1 MET CE C 13 16.949 0.000 . 1 . . . . A 1 MET CE . 30309 1 13 . 1 1 2 2 ASN H H 1 9.920 0.002 . 1 . . . . A 2 ASN H . 30309 1 14 . 1 1 2 2 ASN HA H 1 5.017 0.004 . 1 . . . . A 2 ASN HA . 30309 1 15 . 1 1 2 2 ASN HB2 H 1 3.061 0.007 . 2 . . . . A 2 ASN HB2 . 30309 1 16 . 1 1 2 2 ASN HB3 H 1 2.969 0.007 . 2 . . . . A 2 ASN HB3 . 30309 1 17 . 1 1 2 2 ASN HD21 H 1 8.057 0.000 . 2 . . . . A 2 ASN HD21 . 30309 1 18 . 1 1 2 2 ASN HD22 H 1 7.258 0.001 . 2 . . . . A 2 ASN HD22 . 30309 1 19 . 1 1 2 2 ASN C C 13 175.369 0.000 . 1 . . . . A 2 ASN C . 30309 1 20 . 1 1 2 2 ASN CA C 13 51.489 0.065 . 1 . . . . A 2 ASN CA . 30309 1 21 . 1 1 2 2 ASN CB C 13 40.589 0.011 . 1 . . . . A 2 ASN CB . 30309 1 22 . 1 1 2 2 ASN N N 15 122.264 0.039 . 1 . . . . A 2 ASN N . 30309 1 23 . 1 1 2 2 ASN ND2 N 15 116.339 0.028 . 1 . . . . A 2 ASN ND2 . 30309 1 24 . 1 1 3 3 ALA H H 1 8.915 0.001 . 1 . . . . A 3 ALA H . 30309 1 25 . 1 1 3 3 ALA HA H 1 3.748 0.005 . 1 . . . . A 3 ALA HA . 30309 1 26 . 1 1 3 3 ALA HB1 H 1 1.304 0.004 . 1 . . . . A 3 ALA HB1 . 30309 1 27 . 1 1 3 3 ALA HB2 H 1 1.304 0.004 . 1 . . . . A 3 ALA HB2 . 30309 1 28 . 1 1 3 3 ALA HB3 H 1 1.304 0.004 . 1 . . . . A 3 ALA HB3 . 30309 1 29 . 1 1 3 3 ALA C C 13 178.255 0.000 . 1 . . . . A 3 ALA C . 30309 1 30 . 1 1 3 3 ALA CA C 13 55.624 0.041 . 1 . . . . A 3 ALA CA . 30309 1 31 . 1 1 3 3 ALA CB C 13 18.743 0.075 . 1 . . . . A 3 ALA CB . 30309 1 32 . 1 1 3 3 ALA N N 15 118.929 0.026 . 1 . . . . A 3 ALA N . 30309 1 33 . 1 1 4 4 ILE H H 1 8.079 0.001 . 1 . . . . A 4 ILE H . 30309 1 34 . 1 1 4 4 ILE HA H 1 3.600 0.007 . 1 . . . . A 4 ILE HA . 30309 1 35 . 1 1 4 4 ILE HB H 1 1.999 0.005 . 1 . . . . A 4 ILE HB . 30309 1 36 . 1 1 4 4 ILE HG12 H 1 1.306 0.005 . 2 . . . . A 4 ILE HG12 . 30309 1 37 . 1 1 4 4 ILE HG13 H 1 1.268 0.007 . 2 . . . . A 4 ILE HG13 . 30309 1 38 . 1 1 4 4 ILE HG21 H 1 0.949 0.006 . 1 . . . . A 4 ILE HG21 . 30309 1 39 . 1 1 4 4 ILE HG22 H 1 0.949 0.006 . 1 . . . . A 4 ILE HG22 . 30309 1 40 . 1 1 4 4 ILE HG23 H 1 0.949 0.006 . 1 . . . . A 4 ILE HG23 . 30309 1 41 . 1 1 4 4 ILE HD11 H 1 0.869 0.002 . 1 . . . . A 4 ILE HD11 . 30309 1 42 . 1 1 4 4 ILE HD12 H 1 0.869 0.002 . 1 . . . . A 4 ILE HD12 . 30309 1 43 . 1 1 4 4 ILE HD13 H 1 0.869 0.002 . 1 . . . . A 4 ILE HD13 . 30309 1 44 . 1 1 4 4 ILE C C 13 177.314 0.000 . 1 . . . . A 4 ILE C . 30309 1 45 . 1 1 4 4 ILE CA C 13 66.039 0.076 . 1 . . . . A 4 ILE CA . 30309 1 46 . 1 1 4 4 ILE CB C 13 37.422 0.029 . 1 . . . . A 4 ILE CB . 30309 1 47 . 1 1 4 4 ILE CG1 C 13 31.415 0.039 . 1 . . . . A 4 ILE CG1 . 30309 1 48 . 1 1 4 4 ILE CG2 C 13 20.984 0.083 . 1 . . . . A 4 ILE CG2 . 30309 1 49 . 1 1 4 4 ILE CD1 C 13 15.198 0.046 . 1 . . . . A 4 ILE CD1 . 30309 1 50 . 1 1 4 4 ILE N N 15 114.599 0.009 . 1 . . . . A 4 ILE N . 30309 1 51 . 1 1 5 5 ASP H H 1 7.850 0.002 . 1 . . . . A 5 ASP H . 30309 1 52 . 1 1 5 5 ASP HA H 1 4.161 0.005 . 1 . . . . A 5 ASP HA . 30309 1 53 . 1 1 5 5 ASP HB2 H 1 2.967 0.003 . 2 . . . . A 5 ASP HB2 . 30309 1 54 . 1 1 5 5 ASP HB3 H 1 2.628 0.007 . 2 . . . . A 5 ASP HB3 . 30309 1 55 . 1 1 5 5 ASP C C 13 178.829 0.000 . 1 . . . . A 5 ASP C . 30309 1 56 . 1 1 5 5 ASP CA C 13 58.330 0.031 . 1 . . . . A 5 ASP CA . 30309 1 57 . 1 1 5 5 ASP CB C 13 41.662 0.022 . 1 . . . . A 5 ASP CB . 30309 1 58 . 1 1 5 5 ASP N N 15 119.382 0.031 . 1 . . . . A 5 ASP N . 30309 1 59 . 1 1 6 6 ILE H H 1 7.775 0.002 . 1 . . . . A 6 ILE H . 30309 1 60 . 1 1 6 6 ILE HA H 1 3.672 0.008 . 1 . . . . A 6 ILE HA . 30309 1 61 . 1 1 6 6 ILE HB H 1 1.904 0.005 . 1 . . . . A 6 ILE HB . 30309 1 62 . 1 1 6 6 ILE HG12 H 1 1.506 0.007 . 2 . . . . A 6 ILE HG12 . 30309 1 63 . 1 1 6 6 ILE HG13 H 1 1.349 0.004 . 2 . . . . A 6 ILE HG13 . 30309 1 64 . 1 1 6 6 ILE HG21 H 1 0.998 0.004 . 1 . . . . A 6 ILE HG21 . 30309 1 65 . 1 1 6 6 ILE HG22 H 1 0.998 0.004 . 1 . . . . A 6 ILE HG22 . 30309 1 66 . 1 1 6 6 ILE HG23 H 1 0.998 0.004 . 1 . . . . A 6 ILE HG23 . 30309 1 67 . 1 1 6 6 ILE HD11 H 1 0.767 0.005 . 1 . . . . A 6 ILE HD11 . 30309 1 68 . 1 1 6 6 ILE HD12 H 1 0.767 0.005 . 1 . . . . A 6 ILE HD12 . 30309 1 69 . 1 1 6 6 ILE HD13 H 1 0.767 0.005 . 1 . . . . A 6 ILE HD13 . 30309 1 70 . 1 1 6 6 ILE C C 13 177.869 0.000 . 1 . . . . A 6 ILE C . 30309 1 71 . 1 1 6 6 ILE CA C 13 64.055 0.021 . 1 . . . . A 6 ILE CA . 30309 1 72 . 1 1 6 6 ILE CB C 13 37.020 0.039 . 1 . . . . A 6 ILE CB . 30309 1 73 . 1 1 6 6 ILE CG2 C 13 18.274 0.067 . 1 . . . . A 6 ILE CG2 . 30309 1 74 . 1 1 6 6 ILE CD1 C 13 12.100 0.065 . 1 . . . . A 6 ILE CD1 . 30309 1 75 . 1 1 6 6 ILE N N 15 118.485 0.016 . 1 . . . . A 6 ILE N . 30309 1 76 . 1 1 7 7 ALA H H 1 7.952 0.003 . 1 . . . . A 7 ALA H . 30309 1 77 . 1 1 7 7 ALA HA H 1 4.179 0.003 . 1 . . . . A 7 ALA HA . 30309 1 78 . 1 1 7 7 ALA HB1 H 1 1.549 0.004 . 1 . . . . A 7 ALA HB1 . 30309 1 79 . 1 1 7 7 ALA HB2 H 1 1.549 0.004 . 1 . . . . A 7 ALA HB2 . 30309 1 80 . 1 1 7 7 ALA HB3 H 1 1.549 0.004 . 1 . . . . A 7 ALA HB3 . 30309 1 81 . 1 1 7 7 ALA C C 13 178.947 0.000 . 1 . . . . A 7 ALA C . 30309 1 82 . 1 1 7 7 ALA CA C 13 55.294 0.004 . 1 . . . . A 7 ALA CA . 30309 1 83 . 1 1 7 7 ALA CB C 13 19.396 0.061 . 1 . . . . A 7 ALA CB . 30309 1 84 . 1 1 7 7 ALA N N 15 124.263 0.027 . 1 . . . . A 7 ALA N . 30309 1 85 . 1 1 8 8 ILE H H 1 8.464 0.003 . 1 . . . . A 8 ILE H . 30309 1 86 . 1 1 8 8 ILE HA H 1 3.261 0.003 . 1 . . . . A 8 ILE HA . 30309 1 87 . 1 1 8 8 ILE HB H 1 1.796 0.008 . 1 . . . . A 8 ILE HB . 30309 1 88 . 1 1 8 8 ILE HG12 H 1 1.887 0.008 . 2 . . . . A 8 ILE HG12 . 30309 1 89 . 1 1 8 8 ILE HG13 H 1 0.495 0.006 . 2 . . . . A 8 ILE HG13 . 30309 1 90 . 1 1 8 8 ILE HG21 H 1 0.600 0.004 . 1 . . . . A 8 ILE HG21 . 30309 1 91 . 1 1 8 8 ILE HG22 H 1 0.600 0.004 . 1 . . . . A 8 ILE HG22 . 30309 1 92 . 1 1 8 8 ILE HG23 H 1 0.600 0.004 . 1 . . . . A 8 ILE HG23 . 30309 1 93 . 1 1 8 8 ILE HD11 H 1 0.688 0.004 . 1 . . . . A 8 ILE HD11 . 30309 1 94 . 1 1 8 8 ILE HD12 H 1 0.688 0.004 . 1 . . . . A 8 ILE HD12 . 30309 1 95 . 1 1 8 8 ILE HD13 H 1 0.688 0.004 . 1 . . . . A 8 ILE HD13 . 30309 1 96 . 1 1 8 8 ILE C C 13 177.617 0.000 . 1 . . . . A 8 ILE C . 30309 1 97 . 1 1 8 8 ILE CA C 13 65.825 0.036 . 1 . . . . A 8 ILE CA . 30309 1 98 . 1 1 8 8 ILE CB C 13 37.984 0.031 . 1 . . . . A 8 ILE CB . 30309 1 99 . 1 1 8 8 ILE CG1 C 13 30.894 0.015 . 1 . . . . A 8 ILE CG1 . 30309 1 100 . 1 1 8 8 ILE CG2 C 13 16.675 0.048 . 1 . . . . A 8 ILE CG2 . 30309 1 101 . 1 1 8 8 ILE CD1 C 13 14.958 0.058 . 1 . . . . A 8 ILE CD1 . 30309 1 102 . 1 1 8 8 ILE N N 15 117.811 0.018 . 1 . . . . A 8 ILE N . 30309 1 103 . 1 1 9 9 ASN H H 1 7.887 0.003 . 1 . . . . A 9 ASN H . 30309 1 104 . 1 1 9 9 ASN HA H 1 4.287 0.001 . 1 . . . . A 9 ASN HA . 30309 1 105 . 1 1 9 9 ASN HB2 H 1 2.819 0.003 . 2 . . . . A 9 ASN HB2 . 30309 1 106 . 1 1 9 9 ASN HB3 H 1 2.819 0.003 . 2 . . . . A 9 ASN HB3 . 30309 1 107 . 1 1 9 9 ASN HD21 H 1 7.574 0.002 . 2 . . . . A 9 ASN HD21 . 30309 1 108 . 1 1 9 9 ASN HD22 H 1 6.866 0.001 . 2 . . . . A 9 ASN HD22 . 30309 1 109 . 1 1 9 9 ASN C C 13 177.481 0.000 . 1 . . . . A 9 ASN C . 30309 1 110 . 1 1 9 9 ASN CA C 13 55.919 0.018 . 1 . . . . A 9 ASN CA . 30309 1 111 . 1 1 9 9 ASN CB C 13 38.297 0.042 . 1 . . . . A 9 ASN CB . 30309 1 112 . 1 1 9 9 ASN N N 15 117.507 0.019 . 1 . . . . A 9 ASN N . 30309 1 113 . 1 1 9 9 ASN ND2 N 15 111.854 0.045 . 1 . . . . A 9 ASN ND2 . 30309 1 114 . 1 1 10 10 LYS H H 1 8.183 0.002 . 1 . . . . A 10 LYS H . 30309 1 115 . 1 1 10 10 LYS HA H 1 4.114 0.006 . 1 . . . . A 10 LYS HA . 30309 1 116 . 1 1 10 10 LYS HB2 H 1 2.177 0.019 . 2 . . . . A 10 LYS HB2 . 30309 1 117 . 1 1 10 10 LYS HB3 H 1 2.108 0.005 . 2 . . . . A 10 LYS HB3 . 30309 1 118 . 1 1 10 10 LYS HG2 H 1 1.661 0.197 . 2 . . . . A 10 LYS HG2 . 30309 1 119 . 1 1 10 10 LYS HG3 H 1 1.661 0.197 . 2 . . . . A 10 LYS HG3 . 30309 1 120 . 1 1 10 10 LYS HD2 H 1 1.751 0.005 . 2 . . . . A 10 LYS HD2 . 30309 1 121 . 1 1 10 10 LYS HD3 H 1 1.498 0.005 . 2 . . . . A 10 LYS HD3 . 30309 1 122 . 1 1 10 10 LYS HE2 H 1 3.036 0.009 . 2 . . . . A 10 LYS HE2 . 30309 1 123 . 1 1 10 10 LYS HE3 H 1 3.013 0.010 . 2 . . . . A 10 LYS HE3 . 30309 1 124 . 1 1 10 10 LYS C C 13 178.346 0.000 . 1 . . . . A 10 LYS C . 30309 1 125 . 1 1 10 10 LYS CA C 13 58.237 0.028 . 1 . . . . A 10 LYS CA . 30309 1 126 . 1 1 10 10 LYS CB C 13 31.976 0.046 . 1 . . . . A 10 LYS CB . 30309 1 127 . 1 1 10 10 LYS CD C 13 24.424 0.070 . 1 . . . . A 10 LYS CD . 30309 1 128 . 1 1 10 10 LYS CE C 13 42.023 0.026 . 1 . . . . A 10 LYS CE . 30309 1 129 . 1 1 10 10 LYS N N 15 120.215 0.027 . 1 . . . . A 10 LYS N . 30309 1 130 . 1 1 11 11 LEU H H 1 7.691 0.002 . 1 . . . . A 11 LEU H . 30309 1 131 . 1 1 11 11 LEU HA H 1 4.273 0.004 . 1 . . . . A 11 LEU HA . 30309 1 132 . 1 1 11 11 LEU HB2 H 1 1.575 0.004 . 2 . . . . A 11 LEU HB2 . 30309 1 133 . 1 1 11 11 LEU HB3 H 1 1.430 0.011 . 2 . . . . A 11 LEU HB3 . 30309 1 134 . 1 1 11 11 LEU HG H 1 1.366 0.012 . 1 . . . . A 11 LEU HG . 30309 1 135 . 1 1 11 11 LEU HD11 H 1 0.262 0.004 . 1 . . . . A 11 LEU HD11 . 30309 1 136 . 1 1 11 11 LEU HD12 H 1 0.262 0.004 . 1 . . . . A 11 LEU HD12 . 30309 1 137 . 1 1 11 11 LEU HD13 H 1 0.262 0.004 . 1 . . . . A 11 LEU HD13 . 30309 1 138 . 1 1 11 11 LEU HD21 H 1 0.618 0.007 . 1 . . . . A 11 LEU HD21 . 30309 1 139 . 1 1 11 11 LEU HD22 H 1 0.618 0.007 . 1 . . . . A 11 LEU HD22 . 30309 1 140 . 1 1 11 11 LEU HD23 H 1 0.618 0.007 . 1 . . . . A 11 LEU HD23 . 30309 1 141 . 1 1 11 11 LEU C C 13 178.371 0.000 . 1 . . . . A 11 LEU C . 30309 1 142 . 1 1 11 11 LEU CA C 13 55.216 0.045 . 1 . . . . A 11 LEU CA . 30309 1 143 . 1 1 11 11 LEU CB C 13 42.572 0.037 . 1 . . . . A 11 LEU CB . 30309 1 144 . 1 1 11 11 LEU CD1 C 13 25.034 0.050 . 1 . . . . A 11 LEU CD1 . 30309 1 145 . 1 1 11 11 LEU CD2 C 13 22.019 0.032 . 1 . . . . A 11 LEU CD2 . 30309 1 146 . 1 1 11 11 LEU N N 15 117.116 0.012 . 1 . . . . A 11 LEU N . 30309 1 147 . 1 1 12 12 GLY H H 1 8.427 0.001 . 1 . . . . A 12 GLY H . 30309 1 148 . 1 1 12 12 GLY HA2 H 1 4.414 0.007 . 2 . . . . A 12 GLY HA2 . 30309 1 149 . 1 1 12 12 GLY HA3 H 1 3.630 0.005 . 2 . . . . A 12 GLY HA3 . 30309 1 150 . 1 1 12 12 GLY C C 13 173.325 0.000 . 1 . . . . A 12 GLY C . 30309 1 151 . 1 1 12 12 GLY CA C 13 45.738 0.026 . 1 . . . . A 12 GLY CA . 30309 1 152 . 1 1 12 12 GLY N N 15 108.396 0.015 . 1 . . . . A 12 GLY N . 30309 1 153 . 1 1 13 13 SER H H 1 7.095 0.003 . 1 . . . . A 13 SER H . 30309 1 154 . 1 1 13 13 SER HA H 1 4.521 0.003 . 1 . . . . A 13 SER HA . 30309 1 155 . 1 1 13 13 SER HB2 H 1 4.238 0.004 . 2 . . . . A 13 SER HB2 . 30309 1 156 . 1 1 13 13 SER HB3 H 1 4.090 0.006 . 2 . . . . A 13 SER HB3 . 30309 1 157 . 1 1 13 13 SER C C 13 174.035 0.000 . 1 . . . . A 13 SER C . 30309 1 158 . 1 1 13 13 SER CA C 13 57.756 0.026 . 1 . . . . A 13 SER CA . 30309 1 159 . 1 1 13 13 SER CB C 13 64.911 0.051 . 1 . . . . A 13 SER CB . 30309 1 160 . 1 1 13 13 SER N N 15 108.953 0.017 . 1 . . . . A 13 SER N . 30309 1 161 . 1 1 14 14 VAL H H 1 8.870 0.003 . 1 . . . . A 14 VAL H . 30309 1 162 . 1 1 14 14 VAL HA H 1 3.445 0.006 . 1 . . . . A 14 VAL HA . 30309 1 163 . 1 1 14 14 VAL HB H 1 2.005 0.004 . 1 . . . . A 14 VAL HB . 30309 1 164 . 1 1 14 14 VAL HG11 H 1 0.813 0.005 . 1 . . . . A 14 VAL HG11 . 30309 1 165 . 1 1 14 14 VAL HG12 H 1 0.813 0.005 . 1 . . . . A 14 VAL HG12 . 30309 1 166 . 1 1 14 14 VAL HG13 H 1 0.813 0.005 . 1 . . . . A 14 VAL HG13 . 30309 1 167 . 1 1 14 14 VAL HG21 H 1 0.985 0.003 . 1 . . . . A 14 VAL HG21 . 30309 1 168 . 1 1 14 14 VAL HG22 H 1 0.985 0.003 . 1 . . . . A 14 VAL HG22 . 30309 1 169 . 1 1 14 14 VAL HG23 H 1 0.985 0.003 . 1 . . . . A 14 VAL HG23 . 30309 1 170 . 1 1 14 14 VAL C C 13 177.865 0.000 . 1 . . . . A 14 VAL C . 30309 1 171 . 1 1 14 14 VAL CA C 13 66.776 0.050 . 1 . . . . A 14 VAL CA . 30309 1 172 . 1 1 14 14 VAL CB C 13 31.608 0.000 . 1 . . . . A 14 VAL CB . 30309 1 173 . 1 1 14 14 VAL CG1 C 13 21.222 0.041 . 1 . . . . A 14 VAL CG1 . 30309 1 174 . 1 1 14 14 VAL CG2 C 13 23.191 0.067 . 1 . . . . A 14 VAL CG2 . 30309 1 175 . 1 1 14 14 VAL N N 15 121.861 0.020 . 1 . . . . A 14 VAL N . 30309 1 176 . 1 1 15 15 SER H H 1 8.409 0.001 . 1 . . . . A 15 SER H . 30309 1 177 . 1 1 15 15 SER HA H 1 3.839 0.005 . 1 . . . . A 15 SER HA . 30309 1 178 . 1 1 15 15 SER HB2 H 1 3.827 0.017 . 2 . . . . A 15 SER HB2 . 30309 1 179 . 1 1 15 15 SER HB3 H 1 3.827 0.017 . 2 . . . . A 15 SER HB3 . 30309 1 180 . 1 1 15 15 SER C C 13 176.859 0.000 . 1 . . . . A 15 SER C . 30309 1 181 . 1 1 15 15 SER CA C 13 61.623 0.040 . 1 . . . . A 15 SER CA . 30309 1 182 . 1 1 15 15 SER CB C 13 61.874 0.000 . 1 . . . . A 15 SER CB . 30309 1 183 . 1 1 15 15 SER N N 15 114.368 0.015 . 1 . . . . A 15 SER N . 30309 1 184 . 1 1 16 16 ALA H H 1 8.237 0.002 . 1 . . . . A 16 ALA H . 30309 1 185 . 1 1 16 16 ALA HA H 1 4.148 0.003 . 1 . . . . A 16 ALA HA . 30309 1 186 . 1 1 16 16 ALA HB1 H 1 1.315 0.002 . 1 . . . . A 16 ALA HB1 . 30309 1 187 . 1 1 16 16 ALA HB2 H 1 1.315 0.002 . 1 . . . . A 16 ALA HB2 . 30309 1 188 . 1 1 16 16 ALA HB3 H 1 1.315 0.002 . 1 . . . . A 16 ALA HB3 . 30309 1 189 . 1 1 16 16 ALA C C 13 180.578 0.000 . 1 . . . . A 16 ALA C . 30309 1 190 . 1 1 16 16 ALA CA C 13 54.714 0.041 . 1 . . . . A 16 ALA CA . 30309 1 191 . 1 1 16 16 ALA CB C 13 19.008 0.056 . 1 . . . . A 16 ALA CB . 30309 1 192 . 1 1 16 16 ALA N N 15 124.435 0.019 . 1 . . . . A 16 ALA N . 30309 1 193 . 1 1 17 17 LEU H H 1 7.444 0.002 . 1 . . . . A 17 LEU H . 30309 1 194 . 1 1 17 17 LEU HA H 1 4.011 0.007 . 1 . . . . A 17 LEU HA . 30309 1 195 . 1 1 17 17 LEU HB2 H 1 1.798 0.003 . 2 . . . . A 17 LEU HB2 . 30309 1 196 . 1 1 17 17 LEU HB3 H 1 1.149 0.007 . 2 . . . . A 17 LEU HB3 . 30309 1 197 . 1 1 17 17 LEU HG H 1 1.482 0.010 . 1 . . . . A 17 LEU HG . 30309 1 198 . 1 1 17 17 LEU HD11 H 1 0.698 0.003 . 1 . . . . A 17 LEU HD11 . 30309 1 199 . 1 1 17 17 LEU HD12 H 1 0.698 0.003 . 1 . . . . A 17 LEU HD12 . 30309 1 200 . 1 1 17 17 LEU HD13 H 1 0.698 0.003 . 1 . . . . A 17 LEU HD13 . 30309 1 201 . 1 1 17 17 LEU HD21 H 1 0.869 0.003 . 1 . . . . A 17 LEU HD21 . 30309 1 202 . 1 1 17 17 LEU HD22 H 1 0.869 0.003 . 1 . . . . A 17 LEU HD22 . 30309 1 203 . 1 1 17 17 LEU HD23 H 1 0.869 0.003 . 1 . . . . A 17 LEU HD23 . 30309 1 204 . 1 1 17 17 LEU C C 13 177.132 0.000 . 1 . . . . A 17 LEU C . 30309 1 205 . 1 1 17 17 LEU CA C 13 57.359 0.071 . 1 . . . . A 17 LEU CA . 30309 1 206 . 1 1 17 17 LEU CB C 13 41.217 0.037 . 1 . . . . A 17 LEU CB . 30309 1 207 . 1 1 17 17 LEU CD1 C 13 24.128 0.044 . 1 . . . . A 17 LEU CD1 . 30309 1 208 . 1 1 17 17 LEU CD2 C 13 27.933 0.042 . 1 . . . . A 17 LEU CD2 . 30309 1 209 . 1 1 17 17 LEU N N 15 120.112 0.018 . 1 . . . . A 17 LEU N . 30309 1 210 . 1 1 18 18 ALA H H 1 8.506 0.001 . 1 . . . . A 18 ALA H . 30309 1 211 . 1 1 18 18 ALA HA H 1 3.555 0.005 . 1 . . . . A 18 ALA HA . 30309 1 212 . 1 1 18 18 ALA HB1 H 1 1.293 0.003 . 1 . . . . A 18 ALA HB1 . 30309 1 213 . 1 1 18 18 ALA HB2 H 1 1.293 0.003 . 1 . . . . A 18 ALA HB2 . 30309 1 214 . 1 1 18 18 ALA HB3 H 1 1.293 0.003 . 1 . . . . A 18 ALA HB3 . 30309 1 215 . 1 1 18 18 ALA C C 13 179.219 0.000 . 1 . . . . A 18 ALA C . 30309 1 216 . 1 1 18 18 ALA CA C 13 55.392 0.050 . 1 . . . . A 18 ALA CA . 30309 1 217 . 1 1 18 18 ALA CB C 13 17.337 0.072 . 1 . . . . A 18 ALA CB . 30309 1 218 . 1 1 18 18 ALA N N 15 121.364 0.014 . 1 . . . . A 18 ALA N . 30309 1 219 . 1 1 19 19 ALA H H 1 7.892 0.005 . 1 . . . . A 19 ALA H . 30309 1 220 . 1 1 19 19 ALA HA H 1 4.134 0.002 . 1 . . . . A 19 ALA HA . 30309 1 221 . 1 1 19 19 ALA HB1 H 1 1.439 0.003 . 1 . . . . A 19 ALA HB1 . 30309 1 222 . 1 1 19 19 ALA HB2 H 1 1.439 0.003 . 1 . . . . A 19 ALA HB2 . 30309 1 223 . 1 1 19 19 ALA HB3 H 1 1.439 0.003 . 1 . . . . A 19 ALA HB3 . 30309 1 224 . 1 1 19 19 ALA C C 13 180.676 0.000 . 1 . . . . A 19 ALA C . 30309 1 225 . 1 1 19 19 ALA CA C 13 54.640 0.035 . 1 . . . . A 19 ALA CA . 30309 1 226 . 1 1 19 19 ALA CB C 13 17.957 0.036 . 1 . . . . A 19 ALA CB . 30309 1 227 . 1 1 19 19 ALA N N 15 118.224 0.020 . 1 . . . . A 19 ALA N . 30309 1 228 . 1 1 20 20 ALA H H 1 7.696 0.002 . 1 . . . . A 20 ALA H . 30309 1 229 . 1 1 20 20 ALA HA H 1 4.125 0.005 . 1 . . . . A 20 ALA HA . 30309 1 230 . 1 1 20 20 ALA HB1 H 1 1.430 0.003 . 1 . . . . A 20 ALA HB1 . 30309 1 231 . 1 1 20 20 ALA HB2 H 1 1.430 0.003 . 1 . . . . A 20 ALA HB2 . 30309 1 232 . 1 1 20 20 ALA HB3 H 1 1.430 0.003 . 1 . . . . A 20 ALA HB3 . 30309 1 233 . 1 1 20 20 ALA C C 13 179.525 0.000 . 1 . . . . A 20 ALA C . 30309 1 234 . 1 1 20 20 ALA CA C 13 54.700 0.008 . 1 . . . . A 20 ALA CA . 30309 1 235 . 1 1 20 20 ALA CB C 13 17.730 0.078 . 1 . . . . A 20 ALA CB . 30309 1 236 . 1 1 20 20 ALA N N 15 120.628 0.021 . 1 . . . . A 20 ALA N . 30309 1 237 . 1 1 21 21 LEU H H 1 7.838 0.002 . 1 . . . . A 21 LEU H . 30309 1 238 . 1 1 21 21 LEU HA H 1 4.483 0.002 . 1 . . . . A 21 LEU HA . 30309 1 239 . 1 1 21 21 LEU HB2 H 1 1.781 0.022 . 2 . . . . A 21 LEU HB2 . 30309 1 240 . 1 1 21 21 LEU HB3 H 1 1.713 0.008 . 2 . . . . A 21 LEU HB3 . 30309 1 241 . 1 1 21 21 LEU HG H 1 1.960 0.005 . 1 . . . . A 21 LEU HG . 30309 1 242 . 1 1 21 21 LEU HD11 H 1 0.990 0.004 . 1 . . . . A 21 LEU HD11 . 30309 1 243 . 1 1 21 21 LEU HD12 H 1 0.990 0.004 . 1 . . . . A 21 LEU HD12 . 30309 1 244 . 1 1 21 21 LEU HD13 H 1 0.990 0.004 . 1 . . . . A 21 LEU HD13 . 30309 1 245 . 1 1 21 21 LEU HD21 H 1 1.017 0.007 . 1 . . . . A 21 LEU HD21 . 30309 1 246 . 1 1 21 21 LEU HD22 H 1 1.017 0.007 . 1 . . . . A 21 LEU HD22 . 30309 1 247 . 1 1 21 21 LEU HD23 H 1 1.017 0.007 . 1 . . . . A 21 LEU HD23 . 30309 1 248 . 1 1 21 21 LEU C C 13 177.380 0.000 . 1 . . . . A 21 LEU C . 30309 1 249 . 1 1 21 21 LEU CA C 13 54.901 0.003 . 1 . . . . A 21 LEU CA . 30309 1 250 . 1 1 21 21 LEU CB C 13 43.154 0.042 . 1 . . . . A 21 LEU CB . 30309 1 251 . 1 1 21 21 LEU CD1 C 13 26.059 0.042 . 1 . . . . A 21 LEU CD1 . 30309 1 252 . 1 1 21 21 LEU CD2 C 13 24.342 0.044 . 1 . . . . A 21 LEU CD2 . 30309 1 253 . 1 1 21 21 LEU N N 15 115.444 0.017 . 1 . . . . A 21 LEU N . 30309 1 254 . 1 1 22 22 GLY H H 1 8.008 0.001 . 1 . . . . A 22 GLY H . 30309 1 255 . 1 1 22 22 GLY HA2 H 1 3.974 0.005 . 2 . . . . A 22 GLY HA2 . 30309 1 256 . 1 1 22 22 GLY HA3 H 1 3.974 0.005 . 2 . . . . A 22 GLY HA3 . 30309 1 257 . 1 1 22 22 GLY C C 13 175.216 0.000 . 1 . . . . A 22 GLY C . 30309 1 258 . 1 1 22 22 GLY CA C 13 46.988 0.034 . 1 . . . . A 22 GLY CA . 30309 1 259 . 1 1 22 22 GLY N N 15 110.186 0.013 . 1 . . . . A 22 GLY N . 30309 1 260 . 1 1 23 23 VAL H H 1 7.930 0.004 . 1 . . . . A 23 VAL H . 30309 1 261 . 1 1 23 23 VAL HA H 1 4.733 0.004 . 1 . . . . A 23 VAL HA . 30309 1 262 . 1 1 23 23 VAL HB H 1 2.147 0.003 . 1 . . . . A 23 VAL HB . 30309 1 263 . 1 1 23 23 VAL HG11 H 1 0.956 0.002 . 1 . . . . A 23 VAL HG11 . 30309 1 264 . 1 1 23 23 VAL HG12 H 1 0.956 0.002 . 1 . . . . A 23 VAL HG12 . 30309 1 265 . 1 1 23 23 VAL HG13 H 1 0.956 0.002 . 1 . . . . A 23 VAL HG13 . 30309 1 266 . 1 1 23 23 VAL HG21 H 1 0.537 0.004 . 1 . . . . A 23 VAL HG21 . 30309 1 267 . 1 1 23 23 VAL HG22 H 1 0.537 0.004 . 1 . . . . A 23 VAL HG22 . 30309 1 268 . 1 1 23 23 VAL HG23 H 1 0.537 0.004 . 1 . . . . A 23 VAL HG23 . 30309 1 269 . 1 1 23 23 VAL C C 13 173.965 0.000 . 1 . . . . A 23 VAL C . 30309 1 270 . 1 1 23 23 VAL CA C 13 58.410 0.030 . 1 . . . . A 23 VAL CA . 30309 1 271 . 1 1 23 23 VAL CB C 13 35.008 0.000 . 1 . . . . A 23 VAL CB . 30309 1 272 . 1 1 23 23 VAL CG1 C 13 21.712 0.181 . 1 . . . . A 23 VAL CG1 . 30309 1 273 . 1 1 23 23 VAL CG2 C 13 18.589 0.066 . 1 . . . . A 23 VAL CG2 . 30309 1 274 . 1 1 23 23 VAL N N 15 111.438 0.017 . 1 . . . . A 23 VAL N . 30309 1 275 . 1 1 24 24 ASN H H 1 8.157 0.003 . 1 . . . . A 24 ASN H . 30309 1 276 . 1 1 24 24 ASN HA H 1 4.706 0.011 . 1 . . . . A 24 ASN HA . 30309 1 277 . 1 1 24 24 ASN HB2 H 1 2.901 0.006 . 2 . . . . A 24 ASN HB2 . 30309 1 278 . 1 1 24 24 ASN HB3 H 1 2.809 0.008 . 2 . . . . A 24 ASN HB3 . 30309 1 279 . 1 1 24 24 ASN HD21 H 1 7.684 0.000 . 2 . . . . A 24 ASN HD21 . 30309 1 280 . 1 1 24 24 ASN HD22 H 1 6.948 0.001 . 2 . . . . A 24 ASN HD22 . 30309 1 281 . 1 1 24 24 ASN C C 13 176.680 0.000 . 1 . . . . A 24 ASN C . 30309 1 282 . 1 1 24 24 ASN CA C 13 52.283 0.048 . 1 . . . . A 24 ASN CA . 30309 1 283 . 1 1 24 24 ASN CB C 13 39.464 0.031 . 1 . . . . A 24 ASN CB . 30309 1 284 . 1 1 24 24 ASN N N 15 117.085 0.013 . 1 . . . . A 24 ASN N . 30309 1 285 . 1 1 24 24 ASN ND2 N 15 113.277 0.013 . 1 . . . . A 24 ASN ND2 . 30309 1 286 . 1 1 25 25 GLN H H 1 9.001 0.003 . 1 . . . . A 25 GLN H . 30309 1 287 . 1 1 25 25 GLN HA H 1 3.487 0.004 . 1 . . . . A 25 GLN HA . 30309 1 288 . 1 1 25 25 GLN HB2 H 1 1.945 0.007 . 2 . . . . A 25 GLN HB2 . 30309 1 289 . 1 1 25 25 GLN HB3 H 1 1.945 0.007 . 2 . . . . A 25 GLN HB3 . 30309 1 290 . 1 1 25 25 GLN HG2 H 1 2.348 0.004 . 2 . . . . A 25 GLN HG2 . 30309 1 291 . 1 1 25 25 GLN HG3 H 1 2.082 0.007 . 2 . . . . A 25 GLN HG3 . 30309 1 292 . 1 1 25 25 GLN HE21 H 1 7.563 0.001 . 2 . . . . A 25 GLN HE21 . 30309 1 293 . 1 1 25 25 GLN HE22 H 1 6.934 0.001 . 2 . . . . A 25 GLN HE22 . 30309 1 294 . 1 1 25 25 GLN C C 13 177.287 0.000 . 1 . . . . A 25 GLN C . 30309 1 295 . 1 1 25 25 GLN CA C 13 60.164 0.024 . 1 . . . . A 25 GLN CA . 30309 1 296 . 1 1 25 25 GLN CB C 13 28.150 0.000 . 1 . . . . A 25 GLN CB . 30309 1 297 . 1 1 25 25 GLN N N 15 121.223 0.024 . 1 . . . . A 25 GLN N . 30309 1 298 . 1 1 25 25 GLN NE2 N 15 112.223 0.025 . 1 . . . . A 25 GLN NE2 . 30309 1 299 . 1 1 26 26 SER H H 1 8.497 0.001 . 1 . . . . A 26 SER H . 30309 1 300 . 1 1 26 26 SER HA H 1 3.989 0.001 . 1 . . . . A 26 SER HA . 30309 1 301 . 1 1 26 26 SER HB2 H 1 3.797 0.003 . 2 . . . . A 26 SER HB2 . 30309 1 302 . 1 1 26 26 SER HB3 H 1 3.797 0.003 . 2 . . . . A 26 SER HB3 . 30309 1 303 . 1 1 26 26 SER C C 13 176.499 0.000 . 1 . . . . A 26 SER C . 30309 1 304 . 1 1 26 26 SER CA C 13 60.913 0.161 . 1 . . . . A 26 SER CA . 30309 1 305 . 1 1 26 26 SER CB C 13 62.209 0.060 . 1 . . . . A 26 SER CB . 30309 1 306 . 1 1 26 26 SER N N 15 114.418 0.032 . 1 . . . . A 26 SER N . 30309 1 307 . 1 1 27 27 ALA H H 1 7.301 0.004 . 1 . . . . A 27 ALA H . 30309 1 308 . 1 1 27 27 ALA HA H 1 3.887 0.007 . 1 . . . . A 27 ALA HA . 30309 1 309 . 1 1 27 27 ALA HB1 H 1 1.115 0.002 . 1 . . . . A 27 ALA HB1 . 30309 1 310 . 1 1 27 27 ALA HB2 H 1 1.115 0.002 . 1 . . . . A 27 ALA HB2 . 30309 1 311 . 1 1 27 27 ALA HB3 H 1 1.115 0.002 . 1 . . . . A 27 ALA HB3 . 30309 1 312 . 1 1 27 27 ALA C C 13 177.271 0.000 . 1 . . . . A 27 ALA C . 30309 1 313 . 1 1 27 27 ALA CA C 13 54.692 0.064 . 1 . . . . A 27 ALA CA . 30309 1 314 . 1 1 27 27 ALA CB C 13 17.493 0.068 . 1 . . . . A 27 ALA CB . 30309 1 315 . 1 1 27 27 ALA N N 15 125.156 0.024 . 1 . . . . A 27 ALA N . 30309 1 316 . 1 1 28 28 ILE H H 1 6.356 0.001 . 1 . . . . A 28 ILE H . 30309 1 317 . 1 1 28 28 ILE HA H 1 2.726 0.005 . 1 . . . . A 28 ILE HA . 30309 1 318 . 1 1 28 28 ILE HB H 1 1.927 0.003 . 1 . . . . A 28 ILE HB . 30309 1 319 . 1 1 28 28 ILE HG12 H 1 1.096 0.007 . 2 . . . . A 28 ILE HG12 . 30309 1 320 . 1 1 28 28 ILE HG13 H 1 0.887 0.010 . 2 . . . . A 28 ILE HG13 . 30309 1 321 . 1 1 28 28 ILE HG21 H 1 0.716 0.005 . 1 . . . . A 28 ILE HG21 . 30309 1 322 . 1 1 28 28 ILE HG22 H 1 0.716 0.005 . 1 . . . . A 28 ILE HG22 . 30309 1 323 . 1 1 28 28 ILE HG23 H 1 0.716 0.005 . 1 . . . . A 28 ILE HG23 . 30309 1 324 . 1 1 28 28 ILE HD11 H 1 0.090 0.004 . 1 . . . . A 28 ILE HD11 . 30309 1 325 . 1 1 28 28 ILE HD12 H 1 0.090 0.004 . 1 . . . . A 28 ILE HD12 . 30309 1 326 . 1 1 28 28 ILE HD13 H 1 0.090 0.004 . 1 . . . . A 28 ILE HD13 . 30309 1 327 . 1 1 28 28 ILE C C 13 178.213 0.000 . 1 . . . . A 28 ILE C . 30309 1 328 . 1 1 28 28 ILE CA C 13 61.666 0.030 . 1 . . . . A 28 ILE CA . 30309 1 329 . 1 1 28 28 ILE CB C 13 34.429 0.045 . 1 . . . . A 28 ILE CB . 30309 1 330 . 1 1 28 28 ILE CG1 C 13 27.053 0.010 . 1 . . . . A 28 ILE CG1 . 30309 1 331 . 1 1 28 28 ILE CG2 C 13 19.718 0.042 . 1 . . . . A 28 ILE CG2 . 30309 1 332 . 1 1 28 28 ILE CD1 C 13 9.800 0.056 . 1 . . . . A 28 ILE CD1 . 30309 1 333 . 1 1 28 28 ILE N N 15 112.474 0.017 . 1 . . . . A 28 ILE N . 30309 1 334 . 1 1 29 29 SER H H 1 7.908 0.002 . 1 . . . . A 29 SER H . 30309 1 335 . 1 1 29 29 SER HA H 1 3.860 0.005 . 1 . . . . A 29 SER HA . 30309 1 336 . 1 1 29 29 SER HB2 H 1 3.946 0.001 . 2 . . . . A 29 SER HB2 . 30309 1 337 . 1 1 29 29 SER HB3 H 1 3.946 0.001 . 2 . . . . A 29 SER HB3 . 30309 1 338 . 1 1 29 29 SER C C 13 176.969 0.000 . 1 . . . . A 29 SER C . 30309 1 339 . 1 1 29 29 SER CA C 13 62.100 0.000 . 1 . . . . A 29 SER CA . 30309 1 340 . 1 1 29 29 SER N N 15 113.387 0.018 . 1 . . . . A 29 SER N . 30309 1 341 . 1 1 30 30 GLN H H 1 7.740 0.001 . 1 . . . . A 30 GLN H . 30309 1 342 . 1 1 30 30 GLN HA H 1 4.186 0.002 . 1 . . . . A 30 GLN HA . 30309 1 343 . 1 1 30 30 GLN HB2 H 1 2.296 0.009 . 2 . . . . A 30 GLN HB2 . 30309 1 344 . 1 1 30 30 GLN HB3 H 1 2.296 0.009 . 2 . . . . A 30 GLN HB3 . 30309 1 345 . 1 1 30 30 GLN HG2 H 1 2.578 0.004 . 2 . . . . A 30 GLN HG2 . 30309 1 346 . 1 1 30 30 GLN HG3 H 1 2.347 0.008 . 2 . . . . A 30 GLN HG3 . 30309 1 347 . 1 1 30 30 GLN HE21 H 1 7.458 0.000 . 2 . . . . A 30 GLN HE21 . 30309 1 348 . 1 1 30 30 GLN HE22 H 1 6.904 0.001 . 2 . . . . A 30 GLN HE22 . 30309 1 349 . 1 1 30 30 GLN C C 13 178.817 0.000 . 1 . . . . A 30 GLN C . 30309 1 350 . 1 1 30 30 GLN CA C 13 59.172 0.055 . 1 . . . . A 30 GLN CA . 30309 1 351 . 1 1 30 30 GLN CB C 13 28.414 0.031 . 1 . . . . A 30 GLN CB . 30309 1 352 . 1 1 30 30 GLN CG C 13 34.112 0.043 . 1 . . . . A 30 GLN CG . 30309 1 353 . 1 1 30 30 GLN N N 15 123.328 0.020 . 1 . . . . A 30 GLN N . 30309 1 354 . 1 1 30 30 GLN NE2 N 15 111.709 0.015 . 1 . . . . A 30 GLN NE2 . 30309 1 355 . 1 1 31 31 TRP H H 1 8.946 0.005 . 1 . . . . A 31 TRP H . 30309 1 356 . 1 1 31 31 TRP HA H 1 4.827 0.006 . 1 . . . . A 31 TRP HA . 30309 1 357 . 1 1 31 31 TRP HB2 H 1 3.365 0.011 . 2 . . . . A 31 TRP HB2 . 30309 1 358 . 1 1 31 31 TRP HB3 H 1 3.283 0.011 . 2 . . . . A 31 TRP HB3 . 30309 1 359 . 1 1 31 31 TRP HD1 H 1 7.035 0.003 . 1 . . . . A 31 TRP HD1 . 30309 1 360 . 1 1 31 31 TRP HE1 H 1 10.440 0.002 . 1 . . . . A 31 TRP HE1 . 30309 1 361 . 1 1 31 31 TRP HE3 H 1 7.188 0.006 . 1 . . . . A 31 TRP HE3 . 30309 1 362 . 1 1 31 31 TRP HZ2 H 1 7.488 0.004 . 1 . . . . A 31 TRP HZ2 . 30309 1 363 . 1 1 31 31 TRP HZ3 H 1 6.736 0.008 . 1 . . . . A 31 TRP HZ3 . 30309 1 364 . 1 1 31 31 TRP HH2 H 1 6.895 0.006 . 1 . . . . A 31 TRP HH2 . 30309 1 365 . 1 1 31 31 TRP C C 13 179.359 0.000 . 1 . . . . A 31 TRP C . 30309 1 366 . 1 1 31 31 TRP CA C 13 57.756 0.000 . 1 . . . . A 31 TRP CA . 30309 1 367 . 1 1 31 31 TRP CB C 13 29.811 0.043 . 1 . . . . A 31 TRP CB . 30309 1 368 . 1 1 31 31 TRP CD1 C 13 125.946 0.022 . 1 . . . . A 31 TRP CD1 . 30309 1 369 . 1 1 31 31 TRP CE3 C 13 119.249 0.043 . 1 . . . . A 31 TRP CE3 . 30309 1 370 . 1 1 31 31 TRP CZ2 C 13 114.678 0.028 . 1 . . . . A 31 TRP CZ2 . 30309 1 371 . 1 1 31 31 TRP CZ3 C 13 120.480 0.019 . 1 . . . . A 31 TRP CZ3 . 30309 1 372 . 1 1 31 31 TRP CH2 C 13 123.361 0.048 . 1 . . . . A 31 TRP CH2 . 30309 1 373 . 1 1 31 31 TRP N N 15 121.421 0.025 . 1 . . . . A 31 TRP N . 30309 1 374 . 1 1 31 31 TRP NE1 N 15 129.256 0.009 . 1 . . . . A 31 TRP NE1 . 30309 1 375 . 1 1 32 32 ARG H H 1 8.815 0.001 . 1 . . . . A 32 ARG H . 30309 1 376 . 1 1 32 32 ARG HA H 1 3.862 0.005 . 1 . . . . A 32 ARG HA . 30309 1 377 . 1 1 32 32 ARG HB2 H 1 1.916 0.004 . 2 . . . . A 32 ARG HB2 . 30309 1 378 . 1 1 32 32 ARG HB3 H 1 1.916 0.004 . 2 . . . . A 32 ARG HB3 . 30309 1 379 . 1 1 32 32 ARG HG2 H 1 1.759 0.007 . 2 . . . . A 32 ARG HG2 . 30309 1 380 . 1 1 32 32 ARG HG3 H 1 1.529 0.006 . 2 . . . . A 32 ARG HG3 . 30309 1 381 . 1 1 32 32 ARG HD2 H 1 3.081 0.003 . 2 . . . . A 32 ARG HD2 . 30309 1 382 . 1 1 32 32 ARG HD3 H 1 2.875 0.005 . 2 . . . . A 32 ARG HD3 . 30309 1 383 . 1 1 32 32 ARG HE H 1 8.012 0.001 . 1 . . . . A 32 ARG HE . 30309 1 384 . 1 1 32 32 ARG C C 13 178.259 0.000 . 1 . . . . A 32 ARG C . 30309 1 385 . 1 1 32 32 ARG CA C 13 59.614 0.064 . 1 . . . . A 32 ARG CA . 30309 1 386 . 1 1 32 32 ARG CB C 13 30.848 0.026 . 1 . . . . A 32 ARG CB . 30309 1 387 . 1 1 32 32 ARG CD C 13 43.994 0.018 . 1 . . . . A 32 ARG CD . 30309 1 388 . 1 1 32 32 ARG N N 15 117.728 0.019 . 1 . . . . A 32 ARG N . 30309 1 389 . 1 1 32 32 ARG NE N 15 83.81 0.018 . 1 . . . . A 32 ARG NE . 30309 1 390 . 1 1 33 33 ALA H H 1 7.726 0.002 . 1 . . . . A 33 ALA H . 30309 1 391 . 1 1 33 33 ALA HA H 1 4.168 0.006 . 1 . . . . A 33 ALA HA . 30309 1 392 . 1 1 33 33 ALA HB1 H 1 1.549 0.002 . 1 . . . . A 33 ALA HB1 . 30309 1 393 . 1 1 33 33 ALA HB2 H 1 1.549 0.002 . 1 . . . . A 33 ALA HB2 . 30309 1 394 . 1 1 33 33 ALA HB3 H 1 1.549 0.002 . 1 . . . . A 33 ALA HB3 . 30309 1 395 . 1 1 33 33 ALA C C 13 179.407 0.000 . 1 . . . . A 33 ALA C . 30309 1 396 . 1 1 33 33 ALA CA C 13 54.655 0.009 . 1 . . . . A 33 ALA CA . 30309 1 397 . 1 1 33 33 ALA CB C 13 18.487 0.053 . 1 . . . . A 33 ALA CB . 30309 1 398 . 1 1 33 33 ALA N N 15 120.105 0.017 . 1 . . . . A 33 ALA N . 30309 1 399 . 1 1 34 34 ARG H H 1 7.963 0.005 . 1 . . . . A 34 ARG H . 30309 1 400 . 1 1 34 34 ARG HA H 1 4.379 0.003 . 1 . . . . A 34 ARG HA . 30309 1 401 . 1 1 34 34 ARG HB2 H 1 2.071 0.011 . 2 . . . . A 34 ARG HB2 . 30309 1 402 . 1 1 34 34 ARG HB3 H 1 2.041 0.019 . 2 . . . . A 34 ARG HB3 . 30309 1 403 . 1 1 34 34 ARG HG2 H 1 1.834 0.013 . 2 . . . . A 34 ARG HG2 . 30309 1 404 . 1 1 34 34 ARG HG3 H 1 1.815 0.019 . 2 . . . . A 34 ARG HG3 . 30309 1 405 . 1 1 34 34 ARG HD2 H 1 3.253 0.009 . 2 . . . . A 34 ARG HD2 . 30309 1 406 . 1 1 34 34 ARG HD3 H 1 3.206 0.001 . 2 . . . . A 34 ARG HD3 . 30309 1 407 . 1 1 34 34 ARG HE H 1 7.254 0.004 . 1 . . . . A 34 ARG HE . 30309 1 408 . 1 1 34 34 ARG C C 13 177.402 0.000 . 1 . . . . A 34 ARG C . 30309 1 409 . 1 1 34 34 ARG CA C 13 56.407 0.020 . 1 . . . . A 34 ARG CA . 30309 1 410 . 1 1 34 34 ARG CB C 13 31.220 0.028 . 1 . . . . A 34 ARG CB . 30309 1 411 . 1 1 34 34 ARG N N 15 115.209 0.016 . 1 . . . . A 34 ARG N . 30309 1 412 . 1 1 34 34 ARG NE N 15 84.42 0.012 . 1 . . . . A 34 ARG NE . 30309 1 413 . 1 1 35 35 GLY H H 1 8.460 0.001 . 1 . . . . A 35 GLY H . 30309 1 414 . 1 1 35 35 GLY HA2 H 1 4.197 0.003 . 2 . . . . A 35 GLY HA2 . 30309 1 415 . 1 1 35 35 GLY HA3 H 1 3.636 0.004 . 2 . . . . A 35 GLY HA3 . 30309 1 416 . 1 1 35 35 GLY C C 13 174.024 0.000 . 1 . . . . A 35 GLY C . 30309 1 417 . 1 1 35 35 GLY CA C 13 45.857 0.033 . 1 . . . . A 35 GLY CA . 30309 1 418 . 1 1 35 35 GLY N N 15 107.680 0.017 . 1 . . . . A 35 GLY N . 30309 1 419 . 1 1 36 36 ARG H H 1 7.393 0.002 . 1 . . . . A 36 ARG H . 30309 1 420 . 1 1 36 36 ARG HA H 1 4.844 0.005 . 1 . . . . A 36 ARG HA . 30309 1 421 . 1 1 36 36 ARG HB2 H 1 1.384 0.003 . 2 . . . . A 36 ARG HB2 . 30309 1 422 . 1 1 36 36 ARG HB3 H 1 1.277 0.016 . 2 . . . . A 36 ARG HB3 . 30309 1 423 . 1 1 36 36 ARG HG2 H 1 1.454 0.007 . 2 . . . . A 36 ARG HG2 . 30309 1 424 . 1 1 36 36 ARG HG3 H 1 1.454 0.007 . 2 . . . . A 36 ARG HG3 . 30309 1 425 . 1 1 36 36 ARG HD2 H 1 2.937 0.008 . 2 . . . . A 36 ARG HD2 . 30309 1 426 . 1 1 36 36 ARG HD3 H 1 2.859 0.002 . 2 . . . . A 36 ARG HD3 . 30309 1 427 . 1 1 36 36 ARG C C 13 174.091 0.000 . 1 . . . . A 36 ARG C . 30309 1 428 . 1 1 36 36 ARG CA C 13 54.170 0.020 . 1 . . . . A 36 ARG CA . 30309 1 429 . 1 1 36 36 ARG CB C 13 35.775 0.017 . 1 . . . . A 36 ARG CB . 30309 1 430 . 1 1 36 36 ARG N N 15 116.900 0.014 . 1 . . . . A 36 ARG N . 30309 1 431 . 1 1 37 37 VAL H H 1 8.040 0.008 . 1 . . . . A 37 VAL H . 30309 1 432 . 1 1 37 37 VAL HA H 1 3.946 0.006 . 1 . . . . A 37 VAL HA . 30309 1 433 . 1 1 37 37 VAL HB H 1 1.133 0.003 . 1 . . . . A 37 VAL HB . 30309 1 434 . 1 1 37 37 VAL HG11 H 1 0.687 0.002 . 1 . . . . A 37 VAL HG11 . 30309 1 435 . 1 1 37 37 VAL HG12 H 1 0.687 0.002 . 1 . . . . A 37 VAL HG12 . 30309 1 436 . 1 1 37 37 VAL HG13 H 1 0.687 0.002 . 1 . . . . A 37 VAL HG13 . 30309 1 437 . 1 1 37 37 VAL HG21 H 1 0.590 0.005 . 1 . . . . A 37 VAL HG21 . 30309 1 438 . 1 1 37 37 VAL HG22 H 1 0.590 0.005 . 1 . . . . A 37 VAL HG22 . 30309 1 439 . 1 1 37 37 VAL HG23 H 1 0.590 0.005 . 1 . . . . A 37 VAL HG23 . 30309 1 440 . 1 1 37 37 VAL CA C 13 57.549 0.028 . 1 . . . . A 37 VAL CA . 30309 1 441 . 1 1 37 37 VAL CB C 13 30.175 0.000 . 1 . . . . A 37 VAL CB . 30309 1 442 . 1 1 37 37 VAL CG1 C 13 23.029 0.064 . 1 . . . . A 37 VAL CG1 . 30309 1 443 . 1 1 37 37 VAL CG2 C 13 21.132 0.055 . 1 . . . . A 37 VAL CG2 . 30309 1 444 . 1 1 37 37 VAL N N 15 113.879 0.026 . 1 . . . . A 37 VAL N . 30309 1 445 . 1 1 38 38 PRO HA H 1 4.078 0.002 . 1 . . . . A 38 PRO HA . 30309 1 446 . 1 1 38 38 PRO HB2 H 1 2.229 0.012 . 2 . . . . A 38 PRO HB2 . 30309 1 447 . 1 1 38 38 PRO HB3 H 1 1.411 0.007 . 2 . . . . A 38 PRO HB3 . 30309 1 448 . 1 1 38 38 PRO HG2 H 1 1.866 0.006 . 2 . . . . A 38 PRO HG2 . 30309 1 449 . 1 1 38 38 PRO HG3 H 1 1.636 0.008 . 2 . . . . A 38 PRO HG3 . 30309 1 450 . 1 1 38 38 PRO HD2 H 1 1.486 0.002 . 2 . . . . A 38 PRO HD2 . 30309 1 451 . 1 1 38 38 PRO HD3 H 1 1.401 0.010 . 2 . . . . A 38 PRO HD3 . 30309 1 452 . 1 1 38 38 PRO C C 13 174.201 0.000 . 1 . . . . A 38 PRO C . 30309 1 453 . 1 1 38 38 PRO CA C 13 62.820 0.038 . 1 . . . . A 38 PRO CA . 30309 1 454 . 1 1 38 38 PRO CB C 13 32.007 0.047 . 1 . . . . A 38 PRO CB . 30309 1 455 . 1 1 38 38 PRO CD C 13 49.168 0.040 . 1 . . . . A 38 PRO CD . 30309 1 456 . 1 1 39 39 ALA H H 1 8.123 0.002 . 1 . . . . A 39 ALA H . 30309 1 457 . 1 1 39 39 ALA HA H 1 3.929 0.003 . 1 . . . . A 39 ALA HA . 30309 1 458 . 1 1 39 39 ALA HB1 H 1 1.246 0.004 . 1 . . . . A 39 ALA HB1 . 30309 1 459 . 1 1 39 39 ALA HB2 H 1 1.246 0.004 . 1 . . . . A 39 ALA HB2 . 30309 1 460 . 1 1 39 39 ALA HB3 H 1 1.246 0.004 . 1 . . . . A 39 ALA HB3 . 30309 1 461 . 1 1 39 39 ALA C C 13 178.459 0.000 . 1 . . . . A 39 ALA C . 30309 1 462 . 1 1 39 39 ALA CA C 13 53.454 0.057 . 1 . . . . A 39 ALA CA . 30309 1 463 . 1 1 39 39 ALA CB C 13 18.120 0.069 . 1 . . . . A 39 ALA CB . 30309 1 464 . 1 1 39 39 ALA N N 15 121.995 0.028 . 1 . . . . A 39 ALA N . 30309 1 465 . 1 1 40 40 GLY H H 1 8.700 0.001 . 1 . . . . A 40 GLY H . 30309 1 466 . 1 1 40 40 GLY HA2 H 1 4.203 0.002 . 2 . . . . A 40 GLY HA2 . 30309 1 467 . 1 1 40 40 GLY HA3 H 1 3.743 0.004 . 2 . . . . A 40 GLY HA3 . 30309 1 468 . 1 1 40 40 GLY C C 13 175.074 0.000 . 1 . . . . A 40 GLY C . 30309 1 469 . 1 1 40 40 GLY CA C 13 45.365 0.048 . 1 . . . . A 40 GLY CA . 30309 1 470 . 1 1 40 40 GLY N N 15 111.195 0.015 . 1 . . . . A 40 GLY N . 30309 1 471 . 1 1 41 41 ARG H H 1 7.929 0.001 . 1 . . . . A 41 ARG H . 30309 1 472 . 1 1 41 41 ARG HA H 1 4.573 0.002 . 1 . . . . A 41 ARG HA . 30309 1 473 . 1 1 41 41 ARG HB2 H 1 1.696 0.006 . 2 . . . . A 41 ARG HB2 . 30309 1 474 . 1 1 41 41 ARG HB3 H 1 1.589 0.006 . 2 . . . . A 41 ARG HB3 . 30309 1 475 . 1 1 41 41 ARG HG2 H 1 1.317 0.005 . 2 . . . . A 41 ARG HG2 . 30309 1 476 . 1 1 41 41 ARG HG3 H 1 1.279 0.006 . 2 . . . . A 41 ARG HG3 . 30309 1 477 . 1 1 41 41 ARG HD2 H 1 3.378 0.005 . 2 . . . . A 41 ARG HD2 . 30309 1 478 . 1 1 41 41 ARG HD3 H 1 2.964 0.002 . 2 . . . . A 41 ARG HD3 . 30309 1 479 . 1 1 41 41 ARG HE H 1 7.851 0.001 . 1 . . . . A 41 ARG HE . 30309 1 480 . 1 1 41 41 ARG C C 13 178.942 0.000 . 1 . . . . A 41 ARG C . 30309 1 481 . 1 1 41 41 ARG CA C 13 54.629 0.045 . 1 . . . . A 41 ARG CA . 30309 1 482 . 1 1 41 41 ARG CB C 13 28.656 0.000 . 1 . . . . A 41 ARG CB . 30309 1 483 . 1 1 41 41 ARG CD C 13 42.275 0.035 . 1 . . . . A 41 ARG CD . 30309 1 484 . 1 1 41 41 ARG N N 15 114.418 0.022 . 1 . . . . A 41 ARG N . 30309 1 485 . 1 1 41 41 ARG NE N 15 81.98 0.019 . 1 . . . . A 41 ARG NE . 30309 1 486 . 1 1 42 42 CYS H H 1 9.626 0.002 . 1 . . . . A 42 CYS H . 30309 1 487 . 1 1 42 42 CYS HA H 1 4.331 0.003 . 1 . . . . A 42 CYS HA . 30309 1 488 . 1 1 42 42 CYS HB2 H 1 3.035 0.007 . 2 . . . . A 42 CYS HB2 . 30309 1 489 . 1 1 42 42 CYS HB3 H 1 2.942 0.014 . 2 . . . . A 42 CYS HB3 . 30309 1 490 . 1 1 42 42 CYS C C 13 176.587 0.000 . 1 . . . . A 42 CYS C . 30309 1 491 . 1 1 42 42 CYS CA C 13 60.161 0.048 . 1 . . . . A 42 CYS CA . 30309 1 492 . 1 1 42 42 CYS CB C 13 36.523 0.061 . 1 . . . . A 42 CYS CB . 30309 1 493 . 1 1 42 42 CYS N N 15 121.548 0.023 . 1 . . . . A 42 CYS N . 30309 1 494 . 1 1 43 43 ILE H H 1 7.937 0.001 . 1 . . . . A 43 ILE H . 30309 1 495 . 1 1 43 43 ILE HA H 1 3.929 0.002 . 1 . . . . A 43 ILE HA . 30309 1 496 . 1 1 43 43 ILE HB H 1 1.702 0.004 . 1 . . . . A 43 ILE HB . 30309 1 497 . 1 1 43 43 ILE HG12 H 1 1.431 0.003 . 2 . . . . A 43 ILE HG12 . 30309 1 498 . 1 1 43 43 ILE HG13 H 1 1.168 0.006 . 2 . . . . A 43 ILE HG13 . 30309 1 499 . 1 1 43 43 ILE HG21 H 1 0.874 0.005 . 1 . . . . A 43 ILE HG21 . 30309 1 500 . 1 1 43 43 ILE HG22 H 1 0.874 0.005 . 1 . . . . A 43 ILE HG22 . 30309 1 501 . 1 1 43 43 ILE HG23 H 1 0.874 0.005 . 1 . . . . A 43 ILE HG23 . 30309 1 502 . 1 1 43 43 ILE HD11 H 1 0.838 0.003 . 1 . . . . A 43 ILE HD11 . 30309 1 503 . 1 1 43 43 ILE HD12 H 1 0.838 0.003 . 1 . . . . A 43 ILE HD12 . 30309 1 504 . 1 1 43 43 ILE HD13 H 1 0.838 0.003 . 1 . . . . A 43 ILE HD13 . 30309 1 505 . 1 1 43 43 ILE C C 13 176.489 0.000 . 1 . . . . A 43 ILE C . 30309 1 506 . 1 1 43 43 ILE CA C 13 63.740 0.063 . 1 . . . . A 43 ILE CA . 30309 1 507 . 1 1 43 43 ILE CB C 13 37.961 0.054 . 1 . . . . A 43 ILE CB . 30309 1 508 . 1 1 43 43 ILE CG1 C 13 27.946 0.054 . 1 . . . . A 43 ILE CG1 . 30309 1 509 . 1 1 43 43 ILE CG2 C 13 17.044 0.060 . 1 . . . . A 43 ILE CG2 . 30309 1 510 . 1 1 43 43 ILE CD1 C 13 13.727 0.069 . 1 . . . . A 43 ILE CD1 . 30309 1 511 . 1 1 43 43 ILE N N 15 117.917 0.028 . 1 . . . . A 43 ILE N . 30309 1 512 . 1 1 44 44 ASP H H 1 6.867 0.002 . 1 . . . . A 44 ASP H . 30309 1 513 . 1 1 44 44 ASP HA H 1 4.590 0.003 . 1 . . . . A 44 ASP HA . 30309 1 514 . 1 1 44 44 ASP HB2 H 1 2.799 0.004 . 2 . . . . A 44 ASP HB2 . 30309 1 515 . 1 1 44 44 ASP HB3 H 1 2.799 0.004 . 2 . . . . A 44 ASP HB3 . 30309 1 516 . 1 1 44 44 ASP C C 13 177.251 0.000 . 1 . . . . A 44 ASP C . 30309 1 517 . 1 1 44 44 ASP CA C 13 56.359 0.008 . 1 . . . . A 44 ASP CA . 30309 1 518 . 1 1 44 44 ASP CB C 13 42.198 0.035 . 1 . . . . A 44 ASP CB . 30309 1 519 . 1 1 44 44 ASP N N 15 119.294 0.015 . 1 . . . . A 44 ASP N . 30309 1 520 . 1 1 45 45 ILE H H 1 7.577 0.001 . 1 . . . . A 45 ILE H . 30309 1 521 . 1 1 45 45 ILE HA H 1 3.938 0.005 . 1 . . . . A 45 ILE HA . 30309 1 522 . 1 1 45 45 ILE HB H 1 2.426 0.007 . 1 . . . . A 45 ILE HB . 30309 1 523 . 1 1 45 45 ILE HG12 H 1 1.686 0.006 . 2 . . . . A 45 ILE HG12 . 30309 1 524 . 1 1 45 45 ILE HG13 H 1 1.517 0.010 . 2 . . . . A 45 ILE HG13 . 30309 1 525 . 1 1 45 45 ILE HG21 H 1 0.845 0.006 . 1 . . . . A 45 ILE HG21 . 30309 1 526 . 1 1 45 45 ILE HG22 H 1 0.845 0.006 . 1 . . . . A 45 ILE HG22 . 30309 1 527 . 1 1 45 45 ILE HG23 H 1 0.845 0.006 . 1 . . . . A 45 ILE HG23 . 30309 1 528 . 1 1 45 45 ILE HD11 H 1 0.901 0.004 . 1 . . . . A 45 ILE HD11 . 30309 1 529 . 1 1 45 45 ILE HD12 H 1 0.901 0.004 . 1 . . . . A 45 ILE HD12 . 30309 1 530 . 1 1 45 45 ILE HD13 H 1 0.901 0.004 . 1 . . . . A 45 ILE HD13 . 30309 1 531 . 1 1 45 45 ILE C C 13 178.240 0.000 . 1 . . . . A 45 ILE C . 30309 1 532 . 1 1 45 45 ILE CA C 13 62.232 0.047 . 1 . . . . A 45 ILE CA . 30309 1 533 . 1 1 45 45 ILE CB C 13 36.895 0.000 . 1 . . . . A 45 ILE CB . 30309 1 534 . 1 1 45 45 ILE CG2 C 13 18.395 0.067 . 1 . . . . A 45 ILE CG2 . 30309 1 535 . 1 1 45 45 ILE CD1 C 13 10.788 0.054 . 1 . . . . A 45 ILE CD1 . 30309 1 536 . 1 1 45 45 ILE N N 15 118.106 0.014 . 1 . . . . A 45 ILE N . 30309 1 537 . 1 1 46 46 GLU H H 1 8.640 0.002 . 1 . . . . A 46 GLU H . 30309 1 538 . 1 1 46 46 GLU HA H 1 4.311 0.003 . 1 . . . . A 46 GLU HA . 30309 1 539 . 1 1 46 46 GLU HB2 H 1 1.993 0.003 . 2 . . . . A 46 GLU HB2 . 30309 1 540 . 1 1 46 46 GLU HB3 H 1 1.993 0.003 . 2 . . . . A 46 GLU HB3 . 30309 1 541 . 1 1 46 46 GLU HG2 H 1 2.414 0.002 . 2 . . . . A 46 GLU HG2 . 30309 1 542 . 1 1 46 46 GLU HG3 H 1 2.210 0.008 . 2 . . . . A 46 GLU HG3 . 30309 1 543 . 1 1 46 46 GLU C C 13 177.852 0.000 . 1 . . . . A 46 GLU C . 30309 1 544 . 1 1 46 46 GLU CA C 13 58.391 0.028 . 1 . . . . A 46 GLU CA . 30309 1 545 . 1 1 46 46 GLU CB C 13 29.395 0.048 . 1 . . . . A 46 GLU CB . 30309 1 546 . 1 1 46 46 GLU N N 15 117.008 0.014 . 1 . . . . A 46 GLU N . 30309 1 547 . 1 1 47 47 LEU H H 1 7.015 0.004 . 1 . . . . A 47 LEU H . 30309 1 548 . 1 1 47 47 LEU HA H 1 3.950 0.004 . 1 . . . . A 47 LEU HA . 30309 1 549 . 1 1 47 47 LEU HB2 H 1 1.175 0.007 . 2 . . . . A 47 LEU HB2 . 30309 1 550 . 1 1 47 47 LEU HB3 H 1 0.765 0.014 . 2 . . . . A 47 LEU HB3 . 30309 1 551 . 1 1 47 47 LEU HG H 1 1.590 0.005 . 1 . . . . A 47 LEU HG . 30309 1 552 . 1 1 47 47 LEU HD11 H 1 0.871 0.003 . 1 . . . . A 47 LEU HD11 . 30309 1 553 . 1 1 47 47 LEU HD12 H 1 0.871 0.003 . 1 . . . . A 47 LEU HD12 . 30309 1 554 . 1 1 47 47 LEU HD13 H 1 0.871 0.003 . 1 . . . . A 47 LEU HD13 . 30309 1 555 . 1 1 47 47 LEU HD21 H 1 0.733 0.003 . 1 . . . . A 47 LEU HD21 . 30309 1 556 . 1 1 47 47 LEU HD22 H 1 0.733 0.003 . 1 . . . . A 47 LEU HD22 . 30309 1 557 . 1 1 47 47 LEU HD23 H 1 0.733 0.003 . 1 . . . . A 47 LEU HD23 . 30309 1 558 . 1 1 47 47 LEU C C 13 178.804 0.000 . 1 . . . . A 47 LEU C . 30309 1 559 . 1 1 47 47 LEU CA C 13 57.016 0.033 . 1 . . . . A 47 LEU CA . 30309 1 560 . 1 1 47 47 LEU CB C 13 41.207 0.036 . 1 . . . . A 47 LEU CB . 30309 1 561 . 1 1 47 47 LEU CD1 C 13 24.862 0.030 . 1 . . . . A 47 LEU CD1 . 30309 1 562 . 1 1 47 47 LEU CD2 C 13 23.011 0.011 . 1 . . . . A 47 LEU CD2 . 30309 1 563 . 1 1 47 47 LEU N N 15 118.734 0.016 . 1 . . . . A 47 LEU N . 30309 1 564 . 1 1 48 48 TYR H H 1 7.995 0.002 . 1 . . . . A 48 TYR H . 30309 1 565 . 1 1 48 48 TYR HA H 1 4.743 0.005 . 1 . . . . A 48 TYR HA . 30309 1 566 . 1 1 48 48 TYR HB2 H 1 3.439 0.004 . 2 . . . . A 48 TYR HB2 . 30309 1 567 . 1 1 48 48 TYR HB3 H 1 2.762 0.006 . 2 . . . . A 48 TYR HB3 . 30309 1 568 . 1 1 48 48 TYR HD1 H 1 7.065 0.006 . 3 . . . . A 48 TYR HD1 . 30309 1 569 . 1 1 48 48 TYR HD2 H 1 7.065 0.006 . 3 . . . . A 48 TYR HD2 . 30309 1 570 . 1 1 48 48 TYR HE1 H 1 6.723 0.008 . 3 . . . . A 48 TYR HE1 . 30309 1 571 . 1 1 48 48 TYR HE2 H 1 6.723 0.008 . 3 . . . . A 48 TYR HE2 . 30309 1 572 . 1 1 48 48 TYR C C 13 175.387 0.000 . 1 . . . . A 48 TYR C . 30309 1 573 . 1 1 48 48 TYR CA C 13 57.285 0.043 . 1 . . . . A 48 TYR CA . 30309 1 574 . 1 1 48 48 TYR CB C 13 39.660 0.021 . 1 . . . . A 48 TYR CB . 30309 1 575 . 1 1 48 48 TYR CD1 C 13 132.971 0.041 . 1 . . . . A 48 TYR CD1 . 30309 1 576 . 1 1 48 48 TYR CD2 C 13 132.971 0.041 . 1 . . . . A 48 TYR CD2 . 30309 1 577 . 1 1 48 48 TYR CE1 C 13 118.360 0.052 . 1 . . . . A 48 TYR CE1 . 30309 1 578 . 1 1 48 48 TYR CE2 C 13 118.360 0.052 . 1 . . . . A 48 TYR CE2 . 30309 1 579 . 1 1 48 48 TYR N N 15 115.121 0.014 . 1 . . . . A 48 TYR N . 30309 1 580 . 1 1 49 49 THR H H 1 7.261 0.001 . 1 . . . . A 49 THR H . 30309 1 581 . 1 1 49 49 THR HA H 1 4.467 0.005 . 1 . . . . A 49 THR HA . 30309 1 582 . 1 1 49 49 THR HB H 1 4.422 0.020 . 1 . . . . A 49 THR HB . 30309 1 583 . 1 1 49 49 THR HG21 H 1 1.261 0.003 . 1 . . . . A 49 THR HG21 . 30309 1 584 . 1 1 49 49 THR HG22 H 1 1.261 0.003 . 1 . . . . A 49 THR HG22 . 30309 1 585 . 1 1 49 49 THR HG23 H 1 1.261 0.003 . 1 . . . . A 49 THR HG23 . 30309 1 586 . 1 1 49 49 THR C C 13 175.376 0.000 . 1 . . . . A 49 THR C . 30309 1 587 . 1 1 49 49 THR CA C 13 61.095 0.025 . 1 . . . . A 49 THR CA . 30309 1 588 . 1 1 49 49 THR CB C 13 70.505 0.049 . 1 . . . . A 49 THR CB . 30309 1 589 . 1 1 49 49 THR CG2 C 13 22.772 0.035 . 1 . . . . A 49 THR CG2 . 30309 1 590 . 1 1 49 49 THR N N 15 105.269 0.014 . 1 . . . . A 49 THR N . 30309 1 591 . 1 1 50 50 ASP H H 1 8.359 0.001 . 1 . . . . A 50 ASP H . 30309 1 592 . 1 1 50 50 ASP HA H 1 4.461 0.005 . 1 . . . . A 50 ASP HA . 30309 1 593 . 1 1 50 50 ASP HB2 H 1 2.874 0.006 . 2 . . . . A 50 ASP HB2 . 30309 1 594 . 1 1 50 50 ASP HB3 H 1 2.740 0.006 . 2 . . . . A 50 ASP HB3 . 30309 1 595 . 1 1 50 50 ASP C C 13 175.937 0.000 . 1 . . . . A 50 ASP C . 30309 1 596 . 1 1 50 50 ASP CA C 13 55.079 0.025 . 1 . . . . A 50 ASP CA . 30309 1 597 . 1 1 50 50 ASP CB C 13 40.760 0.031 . 1 . . . . A 50 ASP CB . 30309 1 598 . 1 1 50 50 ASP N N 15 119.061 0.016 . 1 . . . . A 50 ASP N . 30309 1 599 . 1 1 51 51 GLY H H 1 8.390 0.001 . 1 . . . . A 51 GLY H . 30309 1 600 . 1 1 51 51 GLY HA2 H 1 3.983 0.001 . 2 . . . . A 51 GLY HA2 . 30309 1 601 . 1 1 51 51 GLY HA3 H 1 3.784 0.002 . 2 . . . . A 51 GLY HA3 . 30309 1 602 . 1 1 51 51 GLY C C 13 175.987 0.000 . 1 . . . . A 51 GLY C . 30309 1 603 . 1 1 51 51 GLY CA C 13 45.994 0.016 . 1 . . . . A 51 GLY CA . 30309 1 604 . 1 1 51 51 GLY N N 15 106.027 0.018 . 1 . . . . A 51 GLY N . 30309 1 605 . 1 1 52 52 ARG H H 1 8.007 0.001 . 1 . . . . A 52 ARG H . 30309 1 606 . 1 1 52 52 ARG HA H 1 4.056 0.004 . 1 . . . . A 52 ARG HA . 30309 1 607 . 1 1 52 52 ARG HB2 H 1 1.808 0.004 . 2 . . . . A 52 ARG HB2 . 30309 1 608 . 1 1 52 52 ARG HB3 H 1 1.808 0.004 . 2 . . . . A 52 ARG HB3 . 30309 1 609 . 1 1 52 52 ARG HG2 H 1 1.662 0.000 . 2 . . . . A 52 ARG HG2 . 30309 1 610 . 1 1 52 52 ARG HG3 H 1 1.662 0.000 . 2 . . . . A 52 ARG HG3 . 30309 1 611 . 1 1 52 52 ARG HD2 H 1 3.192 0.000 . 2 . . . . A 52 ARG HD2 . 30309 1 612 . 1 1 52 52 ARG HD3 H 1 3.192 0.000 . 2 . . . . A 52 ARG HD3 . 30309 1 613 . 1 1 52 52 ARG C C 13 176.222 0.000 . 1 . . . . A 52 ARG C . 30309 1 614 . 1 1 52 52 ARG CA C 13 58.307 0.043 . 1 . . . . A 52 ARG CA . 30309 1 615 . 1 1 52 52 ARG CB C 13 31.331 0.000 . 1 . . . . A 52 ARG CB . 30309 1 616 . 1 1 52 52 ARG N N 15 118.617 0.015 . 1 . . . . A 52 ARG N . 30309 1 617 . 1 1 53 53 VAL H H 1 7.254 0.001 . 1 . . . . A 53 VAL H . 30309 1 618 . 1 1 53 53 VAL HA H 1 4.264 0.005 . 1 . . . . A 53 VAL HA . 30309 1 619 . 1 1 53 53 VAL HB H 1 1.873 0.004 . 1 . . . . A 53 VAL HB . 30309 1 620 . 1 1 53 53 VAL HG11 H 1 0.857 0.003 . 1 . . . . A 53 VAL HG11 . 30309 1 621 . 1 1 53 53 VAL HG12 H 1 0.857 0.003 . 1 . . . . A 53 VAL HG12 . 30309 1 622 . 1 1 53 53 VAL HG13 H 1 0.857 0.003 . 1 . . . . A 53 VAL HG13 . 30309 1 623 . 1 1 53 53 VAL HG21 H 1 0.879 0.005 . 1 . . . . A 53 VAL HG21 . 30309 1 624 . 1 1 53 53 VAL HG22 H 1 0.879 0.005 . 1 . . . . A 53 VAL HG22 . 30309 1 625 . 1 1 53 53 VAL HG23 H 1 0.879 0.005 . 1 . . . . A 53 VAL HG23 . 30309 1 626 . 1 1 53 53 VAL C C 13 173.848 0.000 . 1 . . . . A 53 VAL C . 30309 1 627 . 1 1 53 53 VAL CA C 13 60.058 0.056 . 1 . . . . A 53 VAL CA . 30309 1 628 . 1 1 53 53 VAL CB C 13 34.671 0.000 . 1 . . . . A 53 VAL CB . 30309 1 629 . 1 1 53 53 VAL CG1 C 13 20.808 0.024 . 1 . . . . A 53 VAL CG1 . 30309 1 630 . 1 1 53 53 VAL CG2 C 13 20.836 0.056 . 1 . . . . A 53 VAL CG2 . 30309 1 631 . 1 1 53 53 VAL N N 15 114.250 0.018 . 1 . . . . A 53 VAL N . 30309 1 632 . 1 1 54 54 GLU H H 1 8.685 0.002 . 1 . . . . A 54 GLU H . 30309 1 633 . 1 1 54 54 GLU HA H 1 4.132 0.001 . 1 . . . . A 54 GLU HA . 30309 1 634 . 1 1 54 54 GLU HB2 H 1 1.921 0.006 . 2 . . . . A 54 GLU HB2 . 30309 1 635 . 1 1 54 54 GLU HB3 H 1 1.921 0.006 . 2 . . . . A 54 GLU HB3 . 30309 1 636 . 1 1 54 54 GLU HG2 H 1 2.194 0.004 . 2 . . . . A 54 GLU HG2 . 30309 1 637 . 1 1 54 54 GLU HG3 H 1 2.194 0.004 . 2 . . . . A 54 GLU HG3 . 30309 1 638 . 1 1 54 54 GLU C C 13 174.938 0.000 . 1 . . . . A 54 GLU C . 30309 1 639 . 1 1 54 54 GLU CA C 13 56.692 0.000 . 1 . . . . A 54 GLU CA . 30309 1 640 . 1 1 54 54 GLU CB C 13 30.280 0.016 . 1 . . . . A 54 GLU CB . 30309 1 641 . 1 1 54 54 GLU N N 15 126.153 0.021 . 1 . . . . A 54 GLU N . 30309 1 642 . 1 1 55 55 CYS H H 1 9.079 0.002 . 1 . . . . A 55 CYS H . 30309 1 643 . 1 1 55 55 CYS HA H 1 4.407 0.002 . 1 . . . . A 55 CYS HA . 30309 1 644 . 1 1 55 55 CYS HB2 H 1 3.148 0.004 . 2 . . . . A 55 CYS HB2 . 30309 1 645 . 1 1 55 55 CYS HB3 H 1 2.684 0.005 . 2 . . . . A 55 CYS HB3 . 30309 1 646 . 1 1 55 55 CYS C C 13 172.893 0.000 . 1 . . . . A 55 CYS C . 30309 1 647 . 1 1 55 55 CYS CA C 13 56.849 0.052 . 1 . . . . A 55 CYS CA . 30309 1 648 . 1 1 55 55 CYS CB C 13 39.096 0.054 . 1 . . . . A 55 CYS CB . 30309 1 649 . 1 1 55 55 CYS N N 15 126.500 0.018 . 1 . . . . A 55 CYS N . 30309 1 650 . 1 1 56 56 ARG H H 1 9.116 0.003 . 1 . . . . A 56 ARG H . 30309 1 651 . 1 1 56 56 ARG HA H 1 4.735 0.004 . 1 . . . . A 56 ARG HA . 30309 1 652 . 1 1 56 56 ARG HB2 H 1 1.847 0.004 . 2 . . . . A 56 ARG HB2 . 30309 1 653 . 1 1 56 56 ARG HB3 H 1 1.676 0.090 . 2 . . . . A 56 ARG HB3 . 30309 1 654 . 1 1 56 56 ARG HG2 H 1 1.601 0.011 . 2 . . . . A 56 ARG HG2 . 30309 1 655 . 1 1 56 56 ARG HG3 H 1 1.547 0.000 . 2 . . . . A 56 ARG HG3 . 30309 1 656 . 1 1 56 56 ARG HD2 H 1 3.159 0.007 . 2 . . . . A 56 ARG HD2 . 30309 1 657 . 1 1 56 56 ARG HD3 H 1 3.159 0.007 . 2 . . . . A 56 ARG HD3 . 30309 1 658 . 1 1 56 56 ARG HE H 1 7.250 0.002 . 1 . . . . A 56 ARG HE . 30309 1 659 . 1 1 56 56 ARG C C 13 174.587 0.000 . 1 . . . . A 56 ARG C . 30309 1 660 . 1 1 56 56 ARG CA C 13 55.040 0.057 . 1 . . . . A 56 ARG CA . 30309 1 661 . 1 1 56 56 ARG CB C 13 33.263 0.063 . 1 . . . . A 56 ARG CB . 30309 1 662 . 1 1 56 56 ARG N N 15 130.115 0.016 . 1 . . . . A 56 ARG N . 30309 1 663 . 1 1 56 56 ARG NE N 15 84.51 0.000 . 1 . . . . A 56 ARG NE . 30309 1 664 . 1 1 57 57 GLU H H 1 8.581 0.004 . 1 . . . . A 57 GLU H . 30309 1 665 . 1 1 57 57 GLU HA H 1 5.137 0.004 . 1 . . . . A 57 GLU HA . 30309 1 666 . 1 1 57 57 GLU HB2 H 1 1.779 0.006 . 2 . . . . A 57 GLU HB2 . 30309 1 667 . 1 1 57 57 GLU HB3 H 1 1.779 0.006 . 2 . . . . A 57 GLU HB3 . 30309 1 668 . 1 1 57 57 GLU HG2 H 1 2.262 0.005 . 2 . . . . A 57 GLU HG2 . 30309 1 669 . 1 1 57 57 GLU HG3 H 1 2.063 0.006 . 2 . . . . A 57 GLU HG3 . 30309 1 670 . 1 1 57 57 GLU C C 13 177.946 0.000 . 1 . . . . A 57 GLU C . 30309 1 671 . 1 1 57 57 GLU CA C 13 53.912 0.055 . 1 . . . . A 57 GLU CA . 30309 1 672 . 1 1 57 57 GLU CB C 13 33.404 0.030 . 1 . . . . A 57 GLU CB . 30309 1 673 . 1 1 57 57 GLU N N 15 119.961 0.016 . 1 . . . . A 57 GLU N . 30309 1 674 . 1 1 58 58 LEU H H 1 8.244 0.003 . 1 . . . . A 58 LEU H . 30309 1 675 . 1 1 58 58 LEU HA H 1 4.230 0.003 . 1 . . . . A 58 LEU HA . 30309 1 676 . 1 1 58 58 LEU HB2 H 1 1.467 0.003 . 2 . . . . A 58 LEU HB2 . 30309 1 677 . 1 1 58 58 LEU HB3 H 1 1.367 0.010 . 2 . . . . A 58 LEU HB3 . 30309 1 678 . 1 1 58 58 LEU HG H 1 1.235 0.005 . 1 . . . . A 58 LEU HG . 30309 1 679 . 1 1 58 58 LEU HD11 H 1 0.702 0.005 . 1 . . . . A 58 LEU HD11 . 30309 1 680 . 1 1 58 58 LEU HD12 H 1 0.702 0.005 . 1 . . . . A 58 LEU HD12 . 30309 1 681 . 1 1 58 58 LEU HD13 H 1 0.702 0.005 . 1 . . . . A 58 LEU HD13 . 30309 1 682 . 1 1 58 58 LEU HD21 H 1 0.730 0.007 . 1 . . . . A 58 LEU HD21 . 30309 1 683 . 1 1 58 58 LEU HD22 H 1 0.730 0.007 . 1 . . . . A 58 LEU HD22 . 30309 1 684 . 1 1 58 58 LEU HD23 H 1 0.730 0.007 . 1 . . . . A 58 LEU HD23 . 30309 1 685 . 1 1 58 58 LEU C C 13 176.188 0.000 . 1 . . . . A 58 LEU C . 30309 1 686 . 1 1 58 58 LEU CA C 13 54.330 0.036 . 1 . . . . A 58 LEU CA . 30309 1 687 . 1 1 58 58 LEU CB C 13 43.208 0.013 . 1 . . . . A 58 LEU CB . 30309 1 688 . 1 1 58 58 LEU CD1 C 13 25.022 0.030 . 1 . . . . A 58 LEU CD1 . 30309 1 689 . 1 1 58 58 LEU CD2 C 13 23.658 0.027 . 1 . . . . A 58 LEU CD2 . 30309 1 690 . 1 1 58 58 LEU N N 15 122.587 0.041 . 1 . . . . A 58 LEU N . 30309 1 691 . 1 1 59 59 ARG H H 1 8.369 0.001 . 1 . . . . A 59 ARG H . 30309 1 692 . 1 1 59 59 ARG HA H 1 4.515 0.004 . 1 . . . . A 59 ARG HA . 30309 1 693 . 1 1 59 59 ARG HB2 H 1 1.858 0.002 . 2 . . . . A 59 ARG HB2 . 30309 1 694 . 1 1 59 59 ARG HB3 H 1 1.713 0.005 . 2 . . . . A 59 ARG HB3 . 30309 1 695 . 1 1 59 59 ARG HG2 H 1 2.353 0.000 . 2 . . . . A 59 ARG HG2 . 30309 1 696 . 1 1 59 59 ARG HG3 H 1 2.353 0.000 . 2 . . . . A 59 ARG HG3 . 30309 1 697 . 1 1 59 59 ARG HD2 H 1 3.183 0.004 . 2 . . . . A 59 ARG HD2 . 30309 1 698 . 1 1 59 59 ARG HD3 H 1 3.183 0.004 . 2 . . . . A 59 ARG HD3 . 30309 1 699 . 1 1 59 59 ARG HE H 1 7.401 0.000 . 1 . . . . A 59 ARG HE . 30309 1 700 . 1 1 59 59 ARG CA C 13 54.131 0.032 . 1 . . . . A 59 ARG CA . 30309 1 701 . 1 1 59 59 ARG CB C 13 29.999 0.047 . 1 . . . . A 59 ARG CB . 30309 1 702 . 1 1 59 59 ARG N N 15 122.417 0.026 . 1 . . . . A 59 ARG N . 30309 1 703 . 1 1 59 59 ARG NE N 15 84.71 0.000 . 1 . . . . A 59 ARG NE . 30309 1 704 . 1 1 60 60 PRO HA H 1 4.323 0.003 . 1 . . . . A 60 PRO HA . 30309 1 705 . 1 1 60 60 PRO HB2 H 1 2.221 0.003 . 2 . . . . A 60 PRO HB2 . 30309 1 706 . 1 1 60 60 PRO HB3 H 1 1.880 0.006 . 2 . . . . A 60 PRO HB3 . 30309 1 707 . 1 1 60 60 PRO HG2 H 1 1.998 0.004 . 2 . . . . A 60 PRO HG2 . 30309 1 708 . 1 1 60 60 PRO HG3 H 1 1.964 0.007 . 2 . . . . A 60 PRO HG3 . 30309 1 709 . 1 1 60 60 PRO HD2 H 1 3.741 0.008 . 2 . . . . A 60 PRO HD2 . 30309 1 710 . 1 1 60 60 PRO HD3 H 1 3.636 0.003 . 2 . . . . A 60 PRO HD3 . 30309 1 711 . 1 1 60 60 PRO C C 13 176.435 0.000 . 1 . . . . A 60 PRO C . 30309 1 712 . 1 1 60 60 PRO CA C 13 63.437 0.046 . 1 . . . . A 60 PRO CA . 30309 1 713 . 1 1 60 60 PRO CB C 13 32.000 0.057 . 1 . . . . A 60 PRO CB . 30309 1 714 . 1 1 60 60 PRO CD C 13 50.534 0.047 . 1 . . . . A 60 PRO CD . 30309 1 715 . 1 1 61 61 ASP H H 1 8.439 0.001 . 1 . . . . A 61 ASP H . 30309 1 716 . 1 1 61 61 ASP HA H 1 4.520 0.001 . 1 . . . . A 61 ASP HA . 30309 1 717 . 1 1 61 61 ASP HB2 H 1 2.594 0.001 . 2 . . . . A 61 ASP HB2 . 30309 1 718 . 1 1 61 61 ASP HB3 H 1 2.594 0.001 . 2 . . . . A 61 ASP HB3 . 30309 1 719 . 1 1 61 61 ASP C C 13 176.330 0.000 . 1 . . . . A 61 ASP C . 30309 1 720 . 1 1 61 61 ASP CA C 13 54.313 0.016 . 1 . . . . A 61 ASP CA . 30309 1 721 . 1 1 61 61 ASP CB C 13 40.946 0.051 . 1 . . . . A 61 ASP CB . 30309 1 722 . 1 1 61 61 ASP N N 15 119.967 0.023 . 1 . . . . A 61 ASP N . 30309 1 723 . 1 1 62 62 VAL H H 1 7.854 0.002 . 1 . . . . A 62 VAL H . 30309 1 724 . 1 1 62 62 VAL HA H 1 4.004 0.004 . 1 . . . . A 62 VAL HA . 30309 1 725 . 1 1 62 62 VAL HB H 1 1.949 0.003 . 1 . . . . A 62 VAL HB . 30309 1 726 . 1 1 62 62 VAL HG11 H 1 0.738 0.005 . 1 . . . . A 62 VAL HG11 . 30309 1 727 . 1 1 62 62 VAL HG12 H 1 0.738 0.005 . 1 . . . . A 62 VAL HG12 . 30309 1 728 . 1 1 62 62 VAL HG13 H 1 0.738 0.005 . 1 . . . . A 62 VAL HG13 . 30309 1 729 . 1 1 62 62 VAL HG21 H 1 0.749 0.005 . 1 . . . . A 62 VAL HG21 . 30309 1 730 . 1 1 62 62 VAL HG22 H 1 0.749 0.005 . 1 . . . . A 62 VAL HG22 . 30309 1 731 . 1 1 62 62 VAL HG23 H 1 0.749 0.005 . 1 . . . . A 62 VAL HG23 . 30309 1 732 . 1 1 62 62 VAL C C 13 175.991 0.000 . 1 . . . . A 62 VAL C . 30309 1 733 . 1 1 62 62 VAL CA C 13 62.503 0.062 . 1 . . . . A 62 VAL CA . 30309 1 734 . 1 1 62 62 VAL CB C 13 32.559 0.046 . 1 . . . . A 62 VAL CB . 30309 1 735 . 1 1 62 62 VAL CG1 C 13 20.989 0.057 . 1 . . . . A 62 VAL CG1 . 30309 1 736 . 1 1 62 62 VAL CG2 C 13 20.259 0.000 . 1 . . . . A 62 VAL CG2 . 30309 1 737 . 1 1 62 62 VAL N N 15 119.188 0.025 . 1 . . . . A 62 VAL N . 30309 1 738 . 1 1 63 63 PHE H H 1 8.252 0.002 . 1 . . . . A 63 PHE H . 30309 1 739 . 1 1 63 63 PHE HA H 1 4.549 0.004 . 1 . . . . A 63 PHE HA . 30309 1 740 . 1 1 63 63 PHE HB2 H 1 3.151 0.006 . 2 . . . . A 63 PHE HB2 . 30309 1 741 . 1 1 63 63 PHE HB3 H 1 2.985 0.004 . 2 . . . . A 63 PHE HB3 . 30309 1 742 . 1 1 63 63 PHE HD1 H 1 7.225 0.009 . 3 . . . . A 63 PHE HD1 . 30309 1 743 . 1 1 63 63 PHE HD2 H 1 7.225 0.009 . 3 . . . . A 63 PHE HD2 . 30309 1 744 . 1 1 63 63 PHE C C 13 176.474 0.000 . 1 . . . . A 63 PHE C . 30309 1 745 . 1 1 63 63 PHE CA C 13 58.183 0.059 . 1 . . . . A 63 PHE CA . 30309 1 746 . 1 1 63 63 PHE CB C 13 39.381 0.038 . 1 . . . . A 63 PHE CB . 30309 1 747 . 1 1 63 63 PHE CD1 C 13 131.728 0.000 . 1 . . . . A 63 PHE CD1 . 30309 1 748 . 1 1 63 63 PHE CD2 C 13 131.728 0.000 . 1 . . . . A 63 PHE CD2 . 30309 1 749 . 1 1 63 63 PHE N N 15 122.824 0.056 . 1 . . . . A 63 PHE N . 30309 1 750 . 1 1 64 64 GLY H H 1 8.295 0.006 . 1 . . . . A 64 GLY H . 30309 1 751 . 1 1 64 64 GLY HA2 H 1 3.854 0.002 . 2 . . . . A 64 GLY HA2 . 30309 1 752 . 1 1 64 64 GLY HA3 H 1 3.854 0.002 . 2 . . . . A 64 GLY HA3 . 30309 1 753 . 1 1 64 64 GLY C C 13 173.937 0.000 . 1 . . . . A 64 GLY C . 30309 1 754 . 1 1 64 64 GLY CA C 13 45.462 0.034 . 1 . . . . A 64 GLY CA . 30309 1 755 . 1 1 64 64 GLY N N 15 110.670 0.030 . 1 . . . . A 64 GLY N . 30309 1 756 . 1 1 65 65 ALA H H 1 8.100 0.001 . 1 . . . . A 65 ALA H . 30309 1 757 . 1 1 65 65 ALA HA H 1 4.248 0.003 . 1 . . . . A 65 ALA HA . 30309 1 758 . 1 1 65 65 ALA HB1 H 1 1.352 0.003 . 1 . . . . A 65 ALA HB1 . 30309 1 759 . 1 1 65 65 ALA HB2 H 1 1.352 0.003 . 1 . . . . A 65 ALA HB2 . 30309 1 760 . 1 1 65 65 ALA HB3 H 1 1.352 0.003 . 1 . . . . A 65 ALA HB3 . 30309 1 761 . 1 1 65 65 ALA C C 13 177.880 0.000 . 1 . . . . A 65 ALA C . 30309 1 762 . 1 1 65 65 ALA CA C 13 52.675 0.056 . 1 . . . . A 65 ALA CA . 30309 1 763 . 1 1 65 65 ALA CB C 13 19.295 0.085 . 1 . . . . A 65 ALA CB . 30309 1 764 . 1 1 65 65 ALA N N 15 123.608 0.023 . 1 . . . . A 65 ALA N . 30309 1 765 . 1 1 66 66 LEU H H 1 8.199 0.001 . 1 . . . . A 66 LEU H . 30309 1 766 . 1 1 66 66 LEU HA H 1 4.251 0.002 . 1 . . . . A 66 LEU HA . 30309 1 767 . 1 1 66 66 LEU HB2 H 1 1.574 0.005 . 2 . . . . A 66 LEU HB2 . 30309 1 768 . 1 1 66 66 LEU HB3 H 1 1.483 0.004 . 2 . . . . A 66 LEU HB3 . 30309 1 769 . 1 1 66 66 LEU HD11 H 1 0.871 0.002 . 1 . . . . A 66 LEU HD11 . 30309 1 770 . 1 1 66 66 LEU HD12 H 1 0.871 0.002 . 1 . . . . A 66 LEU HD12 . 30309 1 771 . 1 1 66 66 LEU HD13 H 1 0.871 0.002 . 1 . . . . A 66 LEU HD13 . 30309 1 772 . 1 1 66 66 LEU HD21 H 1 0.808 0.003 . 1 . . . . A 66 LEU HD21 . 30309 1 773 . 1 1 66 66 LEU HD22 H 1 0.808 0.003 . 1 . . . . A 66 LEU HD22 . 30309 1 774 . 1 1 66 66 LEU HD23 H 1 0.808 0.003 . 1 . . . . A 66 LEU HD23 . 30309 1 775 . 1 1 66 66 LEU C C 13 177.373 0.000 . 1 . . . . A 66 LEU C . 30309 1 776 . 1 1 66 66 LEU CA C 13 55.119 0.086 . 1 . . . . A 66 LEU CA . 30309 1 777 . 1 1 66 66 LEU CB C 13 42.255 0.014 . 1 . . . . A 66 LEU CB . 30309 1 778 . 1 1 66 66 LEU CD1 C 13 24.998 0.000 . 1 . . . . A 66 LEU CD1 . 30309 1 779 . 1 1 66 66 LEU CD2 C 13 23.405 0.011 . 1 . . . . A 66 LEU CD2 . 30309 1 780 . 1 1 66 66 LEU N N 15 120.595 0.021 . 1 . . . . A 66 LEU N . 30309 1 781 . 1 1 67 67 GLU H H 1 8.210 0.001 . 1 . . . . A 67 GLU H . 30309 1 782 . 1 1 67 67 GLU HA H 1 4.146 0.003 . 1 . . . . A 67 GLU HA . 30309 1 783 . 1 1 67 67 GLU HB2 H 1 2.137 0.013 . 2 . . . . A 67 GLU HB2 . 30309 1 784 . 1 1 67 67 GLU HB3 H 1 2.113 0.014 . 2 . . . . A 67 GLU HB3 . 30309 1 785 . 1 1 67 67 GLU HG2 H 1 1.841 0.004 . 2 . . . . A 67 GLU HG2 . 30309 1 786 . 1 1 67 67 GLU HG3 H 1 1.841 0.004 . 2 . . . . A 67 GLU HG3 . 30309 1 787 . 1 1 67 67 GLU C C 13 173.892 0.000 . 1 . . . . A 67 GLU C . 30309 1 788 . 1 1 67 67 GLU CA C 13 56.538 0.033 . 1 . . . . A 67 GLU CA . 30309 1 789 . 1 1 67 67 GLU CB C 13 30.350 0.000 . 1 . . . . A 67 GLU CB . 30309 1 790 . 1 1 67 67 GLU N N 15 120.913 0.044 . 1 . . . . A 67 GLU N . 30309 1 791 . 1 1 68 68 HIS H H 1 8.210 0.002 . 1 . . . . A 68 HIS H . 30309 1 792 . 1 1 68 68 HIS HA H 1 4.403 0.000 . 1 . . . . A 68 HIS HA . 30309 1 793 . 1 1 68 68 HIS HB2 H 1 3.188 0.000 . 2 . . . . A 68 HIS HB2 . 30309 1 794 . 1 1 68 68 HIS HB3 H 1 3.048 0.000 . 2 . . . . A 68 HIS HB3 . 30309 1 795 . 1 1 68 68 HIS C C 13 176.084 0.000 . 1 . . . . A 68 HIS C . 30309 1 796 . 1 1 68 68 HIS CA C 13 57.180 0.000 . 1 . . . . A 68 HIS CA . 30309 1 797 . 1 1 68 68 HIS CB C 13 30.167 0.000 . 1 . . . . A 68 HIS CB . 30309 1 798 . 1 1 68 68 HIS N N 15 125.400 0.017 . 1 . . . . A 68 HIS N . 30309 1 799 . 1 1 69 69 HIS H H 1 8.312 0.002 . 1 . . . . A 69 HIS H . 30309 1 800 . 1 1 69 69 HIS HA H 1 4.541 0.000 . 1 . . . . A 69 HIS HA . 30309 1 801 . 1 1 69 69 HIS HB2 H 1 2.995 0.012 . 2 . . . . A 69 HIS HB2 . 30309 1 802 . 1 1 69 69 HIS HB3 H 1 2.995 0.012 . 2 . . . . A 69 HIS HB3 . 30309 1 803 . 1 1 69 69 HIS CA C 13 55.913 0.000 . 1 . . . . A 69 HIS CA . 30309 1 804 . 1 1 69 69 HIS CB C 13 30.221 0.000 . 1 . . . . A 69 HIS CB . 30309 1 805 . 1 1 69 69 HIS N N 15 119.724 0.018 . 1 . . . . A 69 HIS N . 30309 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 30309 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name 3D_13C-separated_NOESY _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 1 120.499 6.733 6.736 1 U 7.07e+006 0 e 0 300 310 310 2 118.409 6.729 6.729 1 U 4.73e+007 0 e 0 482 489 489 3 118.425 6.563 6.728 1 U 1.12e+006 0 e 0 0 0 0 4 118.385 6.902 6.728 1 U 1.3e+006 0 e 0 0 0 0 5 118.373 7.067 6.726 1 U 7.34e+006 0 e 0 482 488 489 6 131.829 7.232 7.229 1 U 5.09e+007 0 e 0 0 0 0 7 131.728 4.552 7.230 1 U 4.32e+005 0 e 0 627 629 633 8 131.728 3.145 7.230 1 U 4.37e+005 0 e 0 627 630 633 9 131.728 2.986 7.230 1 U 5.71e+005 0 e 0 627 631 633 10 131.448 7.265 7.276 1 U 3.34e+007 0 e 0 0 0 0 11 132.993 7.071 7.069 1 U 2.79e+007 0 e 0 481 488 488 12 132.991 4.744 7.069 1 U 1.47e+006 0 e 0 481 484 488 13 133.016 6.729 7.072 1 U 5.7e+006 0 e 0 481 489 488 14 132.987 6.912 7.070 1 U 1.13e+006 0 e 0 0 0 0 15 132.945 7.225 7.070 1 U 9.91e+005 0 e 0 0 0 0 16 132.952 3.942 7.068 1 U 1e+006 0 e 0 0 0 0 17 132.999 3.445 7.068 1 U 1.07e+006 0 e 0 481 485 488 18 132.988 2.772 7.070 1 U 1.44e+006 0 e 0 481 486 488 19 132.986 1.549 7.071 1 U 5.99e+005 0 e 0 481 68 488 20 132.874 1.756 7.076 1 U 2.64e+005 0 e 0 481 102 488 21 132.945 0.876 7.075 1 U 3.15e+005 0 e 0 0 0 0 22 132.945 0.706 7.070 1 U 5.11e+005 0 e 0 481 171 488 23 118.449 1.439 6.732 1 U 4.75e+005 0 e 0 0 0 0 24 118.444 1.016 6.731 1 U 1.11e+006 0 e 0 482 206 489 25 118.415 0.887 6.727 1 U 5.84e+005 0 e 0 0 0 0 26 118.351 0.729 6.727 1 U 6.27e+005 0 e 0 482 477 489 27 118.351 0.618 6.727 1 U 6.81e+005 0 e 0 482 120 489 28 118.351 4.751 6.723 1 U 2.85e+005 0 e 0 482 484 489 29 118.252 1.174 6.727 1 U 2.78e+005 0 e 0 482 472 489 30 120.527 0.992 6.738 1 U 9.6e+005 0 e 0 0 0 0 31 123.416 7.490 6.903 1 U 1.93e+006 0 e 0 298 309 308 32 123.406 6.735 6.902 1 U 2.23e+006 0 e 0 298 310 308 33 123.374 6.897 6.901 1 U 1.13e+007 0 e 0 298 308 308 34 123.305 0.536 6.898 1 U 3.76e+005 0 e 0 298 222 308 35 123.305 0.981 6.902 1 U 1.1e+006 0 e 0 0 0 0 36 125.935 7.035 7.035 1 U 2.75e+007 0 e 0 296 305 305 37 125.946 4.831 7.033 1 U 1.74e+006 0 e 0 296 302 305 38 125.922 2.307 7.035 1 U 1.13e+006 0 e 0 296 292 305 39 119.310 6.730 7.194 1 U 1.23e+006 0 e 0 297 310 307 40 119.219 7.196 7.193 1 U 7.93e+006 0 e 0 297 307 307 41 119.219 0.694 7.190 1 U 7.36e+005 0 e 0 0 0 0 42 119.219 0.911 7.188 1 U 6.38e+005 0 e 0 0 0 0 43 114.680 7.488 7.488 1 U 1.64e+007 0 e 0 299 309 309 44 114.695 6.902 7.486 1 U 2.2e+006 0 e 0 299 308 309 45 114.674 1.872 7.493 1 U 6.63e+005 0 e 0 299 384 309 46 114.794 0.979 7.489 1 U 6.76e+005 0 e 0 0 0 0 47 114.680 0.962 7.485 1 U 6.4e+005 0 e 0 299 221 309 48 114.767 1.142 7.492 1 U 5.15e+005 0 e 0 0 0 0 49 114.715 1.116 7.493 1 U 6.12e+005 0 e 0 299 259 309 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . C 13 C-aromatic 3 aliased 30 ppm . . . 127 . . 30309 1 2 . . H 1 H-aliphatic . aliased 12 ppm . . . 4.802 . . 30309 1 3 . . H 1 H-aromatic 1 . 4 ppm . . . 8 . . 30309 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 30309 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name 3D_13C-separated_NOESY _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 1 9.834 0.089 0.088 1 U 4.91e+007 0 e 0 263 272 272 2 9.795 0.536 0.086 1 U 1.57e+006 0 e 0 263 222 272 3 9.809 2.726 0.091 1 U 1.3e+006 0 e 0 263 267 272 4 9.875 3.551 0.090 1 U 9.92e+005 0 e 0 263 177 272 5 9.816 6.724 0.088 1 U 6.14e+005 0 e 0 263 310 272 6 9.863 7.197 0.084 1 U 6.85e+005 0 e 0 263 307 272 7 9.883 1.494 0.087 1 U 7.09e+005 0 e 0 263 169 272 8 9.873 0.716 0.088 1 U 2e+006 0 e 0 263 273 272 9 9.789 0.888 0.085 1 U 3.15e+006 0 e 0 263 270 272 10 9.823 1.095 0.089 1 U 1.61e+006 0 e 0 263 269 272 11 10.763 0.905 0.905 1 U 8.37e+007 0 e 0 446 454 454 12 10.811 1.294 0.908 1 U 1.3e+006 0 e 0 0 0 0 13 10.808 1.527 0.901 1 U 3.06e+006 0 e 0 446 452 454 14 10.780 1.700 0.902 1 U 2.16e+006 0 e 0 0 0 0 15 10.896 2.427 0.898 1 U 5.87e+005 0 e 0 446 450 454 16 10.840 3.935 0.905 1 U 1.88e+006 0 e 0 446 449 454 17 10.833 6.745 0.900 1 U 8.79e+005 0 e 0 446 310 454 18 12.143 0.756 0.764 1 U 1.31e+008 0 e 0 52 60 60 19 12.188 1.345 0.763 1 U 2.73e+006 0 e 0 52 58 60 20 12.159 1.509 0.762 1 U 2.37e+006 0 e 0 52 57 60 21 12.199 1.881 0.764 1 U 2.93e+006 0 e 0 52 56 60 22 12.101 2.075 0.764 1 U 8.32e+005 0 e 0 52 6 60 23 12.157 3.698 0.762 1 U 1.45e+006 0 e 0 52 55 60 24 13.748 0.836 0.836 1 U 1.82e+008 0 e 0 425 434 434 25 13.761 1.156 0.834 1 U 5.31e+006 0 e 0 425 432 434 26 13.781 1.431 0.835 1 U 4.05e+006 0 e 0 425 431 434 27 13.795 1.709 0.834 1 U 2.22e+006 0 e 0 425 430 434 28 13.834 3.931 0.836 1 U 7.14e+005 0 e 0 425 429 434 29 14.994 0.687 0.688 1 U 7.7e+007 0 e 0 72 81 81 30 14.959 0.534 0.688 1 U 8.25e+006 0 e 0 0 0 0 31 15.017 0.961 0.690 1 U 6.85e+006 0 e 0 0 0 0 32 15.008 1.885 0.689 1 U 6.67e+006 0 e 0 72 78 81 33 15.007 3.080 0.690 1 U 1.14e+006 0 e 0 72 319 81 34 15.001 3.260 0.692 1 U 8.51e+005 0 e 0 72 76 81 35 15.000 3.441 0.688 1 U 6.64e+005 0 e 0 72 141 81 36 14.989 4.157 0.688 1 U 1.85e+006 0 e 0 72 45 81 37 14.959 1.530 0.688 1 U 8.21e+005 0 e 0 72 323 81 38 14.959 2.867 0.688 1 U 1.56e+006 0 e 0 72 320 81 39 15.194 0.868 0.869 1 U 8.92e+007 0 e 0 30 39 39 40 15.297 1.997 0.869 1 U 3.35e+006 0 e 0 30 35 39 41 15.277 3.859 0.869 1 U 1.58e+006 0 e 0 30 318 39 42 15.194 3.289 0.870 1 U 8.77e+005 0 e 0 30 304 39 43 15.194 3.612 0.869 1 U 1.62e+006 0 e 0 30 34 39 44 16.680 0.602 0.599 1 U 1.3e+008 0 e 0 74 82 82 45 16.717 0.981 0.598 1 U 4.1e+006 0 e 0 74 145 82 46 16.707 1.806 0.598 1 U 7.09e+006 0 e 0 74 77 82 47 16.712 3.259 0.598 1 U 3.03e+006 0 e 0 74 76 82 48 16.745 3.437 0.598 1 U 1.27e+006 0 e 0 74 141 82 49 16.659 4.169 0.598 1 U 6.71e+005 0 e 0 0 0 0 50 16.713 4.516 0.597 1 U 1.55e+006 0 e 0 74 131 82 51 17.113 0.873 0.871 1 U 1.99e+008 0 e 0 427 435 435 52 17.046 1.173 0.870 1 U 4.58e+006 0 e 0 427 432 435 53 17.046 1.425 0.870 1 U 2.51e+006 0 e 0 427 431 435 54 17.103 1.703 0.868 1 U 6.42e+006 0 e 0 427 430 435 55 17.137 3.926 0.871 1 U 2.46e+006 0 e 0 427 429 435 56 17.071 4.578 0.871 1 U 1.05e+006 0 e 0 0 0 0 57 18.281 1.001 0.998 1 U 1.03e+008 0 e 0 53 61 61 58 18.342 1.279 0.998 1 U 4.19e+006 0 e 0 0 0 0 59 18.387 1.515 0.996 1 U 2.37e+006 0 e 0 53 57 61 60 18.339 1.902 0.997 1 U 6.09e+006 0 e 0 53 56 61 61 18.374 3.675 0.997 1 U 2.78e+006 0 e 0 53 55 61 62 18.357 4.450 0.998 1 U 5.38e+006 0 e 0 0 0 0 63 18.278 0.774 0.998 1 U 3.02e+006 0 e 0 53 60 61 64 18.383 0.845 0.845 1 U 9.66e+007 0 e 0 447 455 455 65 18.383 1.536 0.842 1 U 3.53e+006 0 e 0 447 452 455 66 18.383 1.689 0.844 1 U 9.11e+005 0 e 0 447 451 455 67 18.476 2.435 0.845 1 U 4.9e+006 0 e 0 447 450 455 68 18.383 2.697 0.845 1 U 7.14e+005 0 e 0 447 547 455 69 18.498 3.598 0.847 1 U 7.08e+005 0 e 0 447 34 455 70 18.383 3.940 0.845 1 U 2.04e+006 0 e 0 447 449 455 71 18.465 4.330 0.842 1 U 1.6e+006 0 e 0 447 418 455 72 18.633 0.088 0.534 1 U 3.46e+006 0 e 0 216 272 222 73 18.656 0.537 0.535 1 U 1.08e+008 0 e 0 216 222 222 74 18.681 0.376 0.535 1 U 1.52e+006 0 e 0 0 0 0 75 18.559 0.704 0.535 1 U 4.47e+006 0 e 0 0 0 0 76 18.667 0.958 0.536 1 U 8.27e+006 0 e 0 216 221 222 77 18.645 1.110 0.535 1 U 5.13e+006 0 e 0 0 0 0 78 18.511 1.311 0.534 1 U 1.27e+006 0 e 0 216 410 222 79 18.559 1.712 0.535 1 U 2.02e+006 0 e 0 216 202 222 80 18.559 1.777 0.535 1 U 2.01e+006 0 e 0 216 201 222 81 18.648 2.148 0.535 1 U 5.15e+006 0 e 0 216 219 222 82 18.648 3.552 0.535 1 U 3.9e+006 0 e 0 216 177 222 83 18.644 4.729 0.535 1 U 1.44e+006 0 e 0 216 218 222 84 18.650 6.894 0.537 1 U 1.08e+006 0 e 0 216 308 222 85 18.660 7.491 0.536 1 U 5.69e+005 0 e 0 216 309 222 86 19.820 0.088 0.720 1 U 3.08e+006 0 e 0 265 272 273 87 19.696 0.557 0.719 1 U 1.91e+006 0 e 0 265 222 273 88 19.696 0.721 0.719 1 U 7.7e+007 0 e 0 265 273 273 89 19.696 0.979 0.718 1 U 6.16e+006 0 e 0 0 0 0 90 19.696 1.319 0.718 1 U 8.76e+005 0 e 0 0 0 0 91 19.696 1.929 0.718 1 U 5.72e+006 0 e 0 265 268 273 92 19.696 2.721 0.718 1 U 2.61e+006 0 e 0 265 267 273 93 19.696 3.448 0.716 1 U 1.19e+006 0 e 0 265 141 273 94 20.259 1.947 0.746 1 U 5.25e+006 0 e 0 0 0 0 95 20.259 3.999 0.746 1 U 1.87e+006 0 e 0 0 0 0 96 21.816 6.895 0.956 1 U 1.95e+006 0 e 0 215 308 221 97 21.820 7.482 0.954 1 U 1.36e+006 0 e 0 215 309 221 98 20.928 1.290 0.949 1 U 5.64e+006 0 e 0 0 0 0 99 20.928 1.519 0.951 1 U 1.66e+006 0 e 0 32 452 40 100 21.678 1.800 0.954 1 U 2.41e+006 0 e 0 0 0 0 101 20.927 1.947 0.949 1 U 5.57e+006 0 e 0 0 0 0 102 20.799 1.296 0.885 1 U 3.38e+006 0 e 0 526 26 532 103 20.799 1.296 0.858 1 U 3.52e+006 0 e 0 525 26 531 104 20.803 1.512 0.888 1 U 1.13e+006 0 e 0 0 0 0 105 20.799 1.519 0.857 1 U 9.82e+005 0 e 0 0 0 0 106 20.912 1.875 0.881 1 U 6.4e+006 0 e 0 526 529 532 107 20.863 1.878 0.854 1 U 6.08e+006 0 e 0 525 529 531 108 21.808 4.733 0.955 1 U 5.11e+006 0 e 0 215 218 221 109 21.787 0.542 0.955 1 U 8e+006 0 e 0 215 222 221 110 21.760 2.148 0.954 1 U 7.13e+006 0 e 0 215 219 221 111 21.059 3.859 0.952 1 U 1.41e+006 0 e 0 0 0 0 112 21.117 3.596 0.951 1 U 3.32e+006 0 e 0 32 34 40 113 21.020 3.295 0.951 1 U 8.39e+005 0 e 0 32 304 40 114 21.178 7.188 0.952 1 U 5.71e+005 0 e 0 215 307 221 115 20.911 3.744 0.881 1 U 1.51e+006 0 e 0 526 24 532 116 20.817 3.746 0.856 1 U 1.95e+006 0 e 0 525 24 531 117 20.868 4.258 0.884 1 U 2.73e+006 0 e 0 526 528 532 118 20.782 4.257 0.859 1 U 2.04e+006 0 e 0 525 528 531 119 20.799 4.409 0.856 1 U 1.24e+006 0 e 0 525 545 531 120 20.799 4.403 0.884 1 U 6.82e+005 0 e 0 526 545 532 121 20.799 5.013 0.858 1 U 1.22e+006 0 e 0 525 13 531 122 20.799 5.013 0.884 1 U 7.45e+005 0 e 0 526 13 532 123 21.296 3.461 0.812 1 U 4.8e+006 0 e 0 138 141 144 124 21.275 3.841 0.814 1 U 1.44e+006 0 e 0 138 150 144 125 21.291 1.969 0.811 1 U 1.23e+007 0 e 0 0 0 0 126 21.197 1.290 0.812 1 U 1.75e+006 0 e 0 138 179 144 127 21.010 0.739 0.740 1 U 3.28e+008 0 e 0 616 622 622 128 21.010 1.947 0.739 1 U 5.35e+006 0 e 0 616 620 622 129 21.010 3.999 0.739 1 U 2.5e+006 0 e 0 616 619 622 130 21.104 0.587 0.588 1 U 8.56e+007 0 e 0 368 374 374 131 21.212 1.134 0.587 1 U 3.18e+006 0 e 0 368 371 374 132 21.165 1.575 0.588 1 U 2.18e+006 0 e 0 0 0 0 133 21.192 1.723 0.586 1 U 2.08e+006 0 e 0 0 0 0 134 21.159 2.066 0.589 1 U 2.02e+006 0 e 0 368 568 374 135 21.206 2.265 0.587 1 U 8.29e+005 0 e 0 368 567 374 136 21.104 3.934 0.585 1 U 8.34e+005 0 e 0 368 390 374 137 21.104 4.339 0.588 1 U 9.83e+005 0 e 0 368 418 374 138 21.209 5.143 0.590 1 U 1.75e+006 0 e 0 368 566 374 139 21.104 1.319 0.587 1 U 1.05e+006 0 e 0 368 410 374 140 22.062 0.257 0.615 1 U 4.5e+006 0 e 0 112 119 120 141 22.006 0.891 0.616 1 U 2.71e+006 0 e 0 0 0 0 142 22.006 1.366 0.617 1 U 5.31e+006 0 e 0 112 117 120 143 22.006 1.542 0.617 1 U 2.53e+006 0 e 0 112 68 120 144 22.006 1.753 0.617 1 U 8.18e+005 0 e 0 112 102 120 145 22.006 4.280 0.616 1 U 6.37e+006 0 e 0 112 114 120 146 22.006 4.011 0.614 1 U 6.04e+005 0 e 0 112 166 120 147 22.030 6.728 0.616 1 U 1.74e+006 0 e 0 112 489 120 148 22.075 7.070 0.615 1 U 1.5e+006 0 e 0 112 488 120 149 25.084 0.261 0.260 1 U 1.58e+008 0 e 0 111 119 119 150 25.069 0.648 0.260 1 U 7.45e+006 0 e 0 111 120 119 151 25.073 0.855 0.258 1 U 1.89e+006 0 e 0 0 0 0 152 25.075 1.155 0.262 1 U 1.19e+006 0 e 0 111 168 119 153 25.086 1.411 0.260 1 U 8.7e+006 0 e 0 0 0 0 154 25.089 1.569 0.261 1 U 3.59e+006 0 e 0 111 115 119 155 25.068 4.015 0.260 1 U 4.58e+006 0 e 0 111 166 119 156 25.079 4.271 0.259 1 U 1.18e+006 0 e 0 111 114 119 157 25.117 6.729 0.260 1 U 8.95e+005 0 e 0 111 489 119 158 25.048 7.064 0.262 1 U 7.1e+005 0 e 0 111 488 119 159 30.885 0.499 0.491 1 U 3.47e+006 0 e 0 73 79 79 160 30.885 1.882 0.493 1 U 2.51e+006 0 e 0 73 78 79 161 30.885 3.260 0.491 1 U 6.68e+005 0 e 0 73 76 79 162 30.885 3.436 0.494 1 U 5.02e+005 0 e 0 73 141 79 163 30.885 0.850 0.491 1 U 6.62e+005 0 e 0 0 0 0 164 22.814 1.264 1.262 1 U 1.52e+008 0 e 0 493 498 498 165 22.733 0.845 1.261 1 U 6.51e+006 0 e 0 493 455 498 166 22.782 1.542 1.262 1 U 4.03e+006 0 e 0 493 68 498 167 22.789 1.906 1.261 1 U 3.01e+006 0 e 0 493 56 498 168 22.733 0.997 1.262 1 U 3.76e+006 0 e 0 493 61 498 169 22.798 3.743 1.260 1 U 1.71e+006 0 e 0 493 24 498 170 22.797 4.430 1.261 1 U 1.03e+007 0 e 0 493 496 498 171 23.248 1.999 0.983 1 U 8.24e+006 0 e 0 139 142 145 172 23.302 1.790 0.984 1 U 9.38e+005 0 e 0 0 0 0 173 23.202 1.478 0.984 1 U 7.09e+005 0 e 0 139 169 145 174 23.202 1.349 0.985 1 U 1.02e+006 0 e 0 0 0 0 175 23.202 1.261 0.985 1 U 1.87e+006 0 e 0 0 0 0 176 23.202 1.149 0.985 1 U 5.4e+006 0 e 0 139 168 145 177 23.202 0.985 0.985 1 U 1.97e+008 0 e 0 139 145 145 178 23.303 0.804 0.986 1 U 1.36e+007 0 e 0 139 144 145 179 23.245 0.710 0.985 1 U 1.1e+007 0 e 0 139 273 145 180 23.262 3.446 0.985 1 U 4.46e+006 0 e 0 139 141 145 181 24.412 1.020 1.020 1 U 1.9e+008 0 e 0 198 206 206 182 24.305 0.710 1.019 1 U 1.63e+006 0 e 0 0 0 0 183 24.305 1.296 1.020 1 U 1.42e+006 0 e 0 0 0 0 184 24.408 1.424 1.021 1 U 2.03e+006 0 e 0 0 0 0 185 24.305 1.501 1.022 1 U 1.72e+006 0 e 0 198 452 206 186 24.386 1.706 1.020 1 U 2.72e+006 0 e 0 198 202 206 187 24.305 1.964 1.019 1 U 3.8e+006 0 e 0 198 203 206 188 24.305 2.803 1.020 1 U 4.15e+006 0 e 0 198 442 206 189 24.334 3.949 1.018 1 U 6.53e+005 0 e 0 198 449 206 190 24.414 4.483 1.019 1 U 4.86e+006 0 e 0 198 200 206 191 24.382 6.883 1.022 1 U 1e+006 0 e 0 198 308 206 192 24.379 7.065 1.021 1 U 7.53e+005 0 e 0 198 488 206 193 26.158 0.090 0.992 1 U 2.12e+006 0 e 0 197 272 205 194 26.117 0.699 0.991 1 U 3.4e+006 0 e 0 0 0 0 195 26.040 0.833 0.991 1 U 2.44e+006 0 e 0 197 455 205 196 26.040 0.991 0.991 1 U 1.37e+008 0 e 0 197 205 205 197 26.040 1.155 0.993 1 U 3.61e+006 0 e 0 197 168 205 198 26.040 1.273 0.991 1 U 1.4e+006 0 e 0 197 411 205 199 26.040 1.472 0.993 1 U 2.97e+006 0 e 0 197 169 205 200 26.040 1.777 0.990 1 U 3.03e+006 0 e 0 197 201 205 201 26.040 1.958 0.991 1 U 3.16e+006 0 e 0 197 203 205 202 26.040 2.797 0.993 1 U 8.43e+005 0 e 0 197 442 205 203 26.040 4.480 0.991 1 U 7.89e+005 0 e 0 197 200 205 204 26.040 6.883 0.993 1 U 1.16e+006 0 e 0 197 308 205 205 27.962 0.094 0.870 1 U 2.08e+006 0 e 0 164 272 172 206 27.897 0.500 0.869 1 U 1.61e+006 0 e 0 164 79 172 207 27.928 0.698 0.871 1 U 8.74e+006 0 e 0 164 171 172 208 27.928 0.874 0.869 1 U 7.55e+007 0 e 0 164 172 172 209 27.928 1.138 0.869 1 U 3.69e+006 0 e 0 164 168 172 210 27.928 1.525 0.868 1 U 5.25e+006 0 e 0 164 452 172 211 27.928 1.800 0.868 1 U 3.51e+006 0 e 0 164 167 172 212 27.928 1.882 0.868 1 U 3.23e+006 0 e 0 164 78 172 213 27.928 3.266 0.868 1 U 1.02e+006 0 e 0 164 76 172 214 27.902 3.425 0.868 1 U 5.47e+005 0 e 0 164 485 172 215 27.928 3.993 0.869 1 U 5.31e+005 0 e 0 164 166 172 216 23.395 0.806 0.805 1 U 4.09e+008 0 e 0 650 657 657 217 23.403 0.975 0.804 1 U 7.96e+006 0 e 0 0 0 0 218 23.354 1.088 0.806 1 U 3.06e+006 0 e 0 0 0 0 219 23.402 1.185 0.805 1 U 1.75e+006 0 e 0 0 0 0 220 23.402 1.290 0.805 1 U 1.46e+006 0 e 0 0 0 0 221 23.436 1.574 0.801 1 U 4.36e+006 0 e 0 650 653 657 222 23.402 1.935 0.806 1 U 6.09e+005 0 e 0 0 0 0 223 23.402 1.783 0.805 1 U 4.95e+005 0 e 0 0 0 0 224 23.402 4.251 0.805 1 U 2.87e+006 0 e 0 650 652 657 225 23.057 3.948 0.727 1 U 5.79e+006 0 e 0 0 0 0 226 23.074 1.590 0.726 1 U 5.7e+006 0 e 0 0 0 0 227 23.660 4.233 0.729 1 U 5.58e+006 0 e 0 575 577 583 228 23.607 1.243 0.728 1 U 7.77e+006 0 e 0 575 580 583 229 23.668 1.445 0.729 1 U 6.24e+006 0 e 0 575 364 583 230 23.078 1.300 0.688 1 U 4.37e+006 0 e 0 367 36 373 231 22.956 1.138 0.688 1 U 4.67e+006 0 e 0 367 371 373 232 22.956 0.891 0.687 1 U 7.05e+006 0 e 0 367 454 373 233 22.956 0.686 0.687 1 U 9.93e+007 0 e 0 367 373 373 234 23.078 3.936 0.688 1 U 3.65e+006 0 e 0 367 370 373 235 23.053 4.838 0.686 1 U 6.56e+005 0 e 0 367 358 373 236 22.956 7.188 0.688 1 U 2.15e+006 0 e 0 367 307 373 237 24.218 7.062 0.696 1 U 8.14e+005 0 e 0 163 488 171 238 24.105 6.725 0.702 1 U 6.32e+005 0 e 0 163 489 171 239 24.105 4.022 0.699 1 U 4.85e+006 0 e 0 163 166 171 240 24.105 1.507 0.700 1 U 6.18e+006 0 e 0 163 452 171 241 24.105 1.953 0.700 1 U 1.41e+006 0 e 0 163 203 171 242 24.105 1.800 0.700 1 U 1.85e+006 0 e 0 163 167 171 243 24.203 0.261 0.698 1 U 3.48e+006 0 e 0 163 119 171 244 24.105 0.698 0.699 1 U 8.01e+007 0 e 0 163 171 171 245 25.032 1.240 0.695 1 U 5.93e+006 0 e 0 574 580 582 246 25.020 0.698 0.694 1 U 2.13e+008 0 e 0 574 582 582 247 25.020 1.454 0.694 1 U 6e+006 0 e 0 574 364 582 248 25.020 1.829 0.697 1 U 1.07e+006 0 e 0 574 344 582 249 25.020 1.935 0.697 1 U 8.58e+005 0 e 0 0 0 0 250 25.020 4.222 0.697 1 U 9.06e+005 0 e 0 574 577 582 251 17.416 0.534 1.115 1 U 2.4e+006 0 e 0 255 222 259 252 17.452 1.117 1.116 1 U 1.45e+008 0 e 0 255 259 259 253 17.495 2.149 1.116 1 U 2.94e+006 0 e 0 255 219 259 254 17.453 3.887 1.115 1 U 7.38e+006 0 e 0 255 257 259 255 17.456 7.481 1.116 1 U 1.06e+006 0 e 0 255 309 259 256 18.084 1.245 1.243 1 U 1.37e+008 0 e 0 388 392 392 257 18.090 1.976 1.241 1 U 8.33e+005 0 e 0 388 605 392 258 18.117 3.751 1.243 1 U 9.99e+005 0 e 0 0 0 0 259 18.135 3.929 1.243 1 U 7.48e+006 0 e 0 388 390 392 260 18.070 4.322 1.244 1 U 8.39e+005 0 e 0 388 599 392 261 18.017 4.509 1.244 1 U 5.53e+005 0 e 0 388 587 392 262 18.183 2.226 1.241 1 U 7.36e+005 0 e 0 0 0 0 263 17.298 1.292 1.292 1 U 1.15e+008 0 e 0 175 179 179 264 17.371 0.869 1.293 1 U 2.56e+006 0 e 0 175 172 179 265 17.382 0.535 1.293 1 U 1.85e+006 0 e 0 175 222 179 266 17.303 0.087 1.292 1 U 1.09e+006 0 e 0 175 272 179 267 17.314 1.929 1.292 1 U 2.1e+006 0 e 0 0 0 0 268 17.356 2.094 1.291 1 U 1.3e+006 0 e 0 175 242 179 269 17.316 2.349 1.295 1 U 8.84e+005 0 e 0 175 241 179 270 17.335 3.535 1.293 1 U 8.19e+006 0 e 0 175 177 179 271 17.310 3.843 1.293 1 U 3.69e+006 0 e 0 175 150 179 272 17.316 4.134 1.294 1 U 7e+005 0 e 0 175 184 179 273 17.408 4.705 1.293 1 U 1.2e+006 0 e 0 175 227 179 274 18.666 3.744 1.304 1 U 5.46e+006 0 e 0 22 24 26 275 18.638 4.406 1.304 1 U 4.12e+006 0 e 0 22 545 26 276 18.700 2.683 1.304 1 U 1.19e+006 0 e 0 22 547 26 277 18.700 1.891 1.307 1 U 1.13e+006 0 e 0 0 0 0 278 18.723 0.859 1.304 1 U 6.17e+006 0 e 0 0 0 0 279 18.952 4.144 1.311 1 U 7.34e+006 0 e 0 155 157 159 280 19.208 4.243 1.346 1 U 4.84e+006 0 e 0 641 643 645 281 19.205 1.939 1.343 1 U 9.52e+005 0 e 0 0 0 0 282 19.216 1.727 1.348 1 U 1.45e+006 0 e 0 0 0 0 283 18.499 1.547 1.547 1 U 1.68e+008 0 e 0 329 333 333 284 18.494 1.825 1.547 1 U 2.05e+006 0 e 0 0 0 0 285 18.418 2.307 1.546 1 U 6.13e+005 0 e 0 329 292 333 286 18.418 2.014 1.546 1 U 9.04e+005 0 e 0 0 0 0 287 18.478 4.164 1.547 1 U 1.06e+007 0 e 0 329 331 333 288 18.461 4.342 1.545 1 U 6.12e+005 0 e 0 0 0 0 289 19.373 0.870 1.551 1 U 6.64e+006 0 e 0 64 172 68 290 19.386 0.702 1.554 1 U 2.76e+006 0 e 0 64 171 68 291 19.407 2.768 1.550 1 U 1.9e+006 0 e 0 64 486 68 292 19.386 3.439 1.552 1 U 1.33e+006 0 e 0 64 485 68 293 19.381 3.596 1.556 1 U 1.71e+006 0 e 0 64 34 68 294 19.429 7.059 1.552 1 U 1.03e+006 0 e 0 64 488 68 295 25.074 0.422 0.260 1 U 4.69e+006 0 e 0 0 0 0 296 18.090 1.768 1.242 1 U 1.07e+006 0 e 0 388 570 392 297 23.668 2.856 0.729 1 U 1.42e+006 0 e 0 575 362 583 298 23.668 2.926 0.729 1 U 1.3e+006 0 e 0 575 361 583 299 22.068 0.617 0.615 1 U 2.05e+008 0 e 0 112 120 120 300 23.078 3.289 0.687 1 U 2.37e+006 0 e 0 367 304 373 301 23.078 3.366 0.688 1 U 1.71e+006 0 e 0 367 303 373 302 23.130 6.753 0.686 1 U 3.51e+005 0 e 0 367 310 373 303 23.078 1.513 0.687 1 U 3.37e+006 0 e 0 0 0 0 304 23.078 1.701 0.690 1 U 1.44e+006 0 e 0 367 405 373 305 26.040 1.718 0.990 1 U 3.17e+006 0 e 0 197 202 205 306 26.131 3.980 0.990 1 U 3.32e+005 0 e 0 197 211 205 307 26.068 7.170 0.992 1 U 4.36e+005 0 e 0 197 307 205 308 26.040 7.053 0.992 1 U 3.9e+005 0 e 0 197 488 205 309 24.305 1.788 1.021 1 U 2.99e+006 0 e 0 198 201 206 310 24.305 6.731 1.021 1 U 3.16e+006 0 e 0 198 310 206 311 24.305 6.702 1.020 1 U 2.7e+006 0 e 0 198 489 206 312 26.151 6.746 0.992 1 U 3.59e+006 0 e 0 197 310 205 313 26.158 6.707 0.992 1 U 3.53e+006 0 e 0 197 489 205 314 21.010 4.529 0.735 1 U 3.61e+005 0 e 0 0 0 0 315 23.271 3.855 0.986 1 U 5.18e+005 0 e 0 0 0 0 316 15.194 1.264 0.867 1 U 6.78e+006 0 e 0 30 37 39 317 15.194 1.316 0.867 1 U 7.13e+006 0 e 0 30 36 39 318 15.194 4.195 0.869 1 U 4.44e+005 0 e 0 30 351 39 319 15.194 4.840 0.869 1 U 4.6e+005 0 e 0 30 358 39 320 15.194 7.185 0.869 1 U 4.62e+005 0 e 0 30 307 39 321 18.278 4.172 0.995 1 U 4.2e+005 0 e 0 0 0 0 322 18.383 7.056 0.847 1 U 3.61e+005 0 e 0 447 488 455 323 18.559 6.740 0.535 1 U 4.16e+005 0 e 0 216 310 222 324 21.808 6.754 0.957 1 U 3.28e+005 0 e 0 0 0 0 325 21.127 3.344 0.950 1 U 8.96e+005 0 e 0 32 303 40 326 22.771 2.196 1.258 1 U 4.34e+005 0 e 0 493 462 498 327 22.814 2.747 1.259 1 U 4.8e+005 0 e 0 493 505 498 328 22.814 4.178 1.261 1 U 8.66e+005 0 e 0 493 66 498 329 31.481 2.089 2.559 1 U 1.85e+006 0 e 0 4 6 8 330 31.480 2.555 2.556 1 U 5.84e+007 0 e 0 4 8 8 331 31.441 4.084 2.568 1 U 7.84e+005 0 e 0 4 5 8 332 55.160 2.084 4.078 1 U 3.34e+006 0 e 0 2 6 5 333 55.214 2.561 4.079 1 U 2.03e+006 0 e 0 2 8 5 334 55.190 2.980 4.080 1 U 5.47e+005 0 e 0 2 15 5 335 51.455 2.964 5.016 1 U 4.82e+006 0 e 0 10 15 13 336 51.455 3.070 5.017 1 U 4.01e+006 0 e 0 10 14 13 337 51.378 0.864 5.013 1 U 1.46e+006 0 e 0 10 39 13 338 40.585 5.028 2.954 1 U 2.06e+006 0 e 0 11 13 15 339 40.585 5.022 3.066 1 U 2.16e+006 0 e 0 11 13 14 340 55.603 1.903 3.746 1 U 2.65e+006 0 e 0 21 56 24 341 55.581 1.298 3.744 1 U 4.39e+006 0 e 0 21 26 24 342 18.700 3.157 1.307 1 U 6.02e+005 0 e 0 22 561 26 343 65.999 1.299 3.592 1 U 1.9e+006 0 e 0 0 0 0 344 65.999 1.551 3.592 1 U 1.11e+006 0 e 0 28 68 34 345 65.946 2.000 3.591 1 U 6.71e+005 0 e 0 28 35 34 346 65.999 0.894 3.591 1 U 2.29e+006 0 e 0 28 454 34 347 65.999 0.959 3.591 1 U 1.98e+006 0 e 0 28 40 34 348 37.473 3.856 2.006 1 U 1.83e+006 0 e 0 29 318 35 349 37.406 3.600 2.009 1 U 7.55e+005 0 e 0 29 34 35 350 37.438 1.299 2.003 1 U 1.72e+006 0 e 0 0 0 0 351 37.438 0.953 2.005 1 U 2.48e+006 0 e 0 29 40 35 352 37.438 0.906 2.003 1 U 2.7e+006 0 e 0 29 454 35 353 58.305 2.624 4.161 1 U 1.86e+006 0 e 0 42 47 45 354 58.305 2.982 4.158 1 U 1.11e+006 0 e 0 0 0 0 355 58.305 1.803 4.159 1 U 1.28e+006 0 e 0 42 77 45 356 58.333 0.680 4.159 1 U 1.57e+006 0 e 0 42 81 45 357 64.049 2.817 3.664 1 U 1.38e+006 0 e 0 50 92 55 358 64.049 1.903 3.665 1 U 9.04e+005 0 e 0 50 56 55 359 64.049 1.510 3.664 1 U 5.98e+005 0 e 0 50 57 55 360 64.049 1.352 3.664 1 U 1.01e+006 0 e 0 50 58 55 361 64.049 1.000 3.664 1 U 1.44e+006 0 e 0 50 61 55 362 64.049 0.765 3.664 1 U 8.13e+005 0 e 0 50 60 55 363 36.992 3.750 1.906 1 U 1.58e+006 0 e 0 51 24 56 364 36.992 3.679 1.905 1 U 1.37e+006 0 e 0 51 55 56 365 36.992 1.504 1.905 1 U 8.97e+005 0 e 0 51 57 56 366 36.992 1.299 1.906 1 U 1.23e+006 0 e 0 0 0 0 367 36.992 1.000 1.908 1 U 2.2e+006 0 e 0 51 61 56 368 36.992 0.765 1.909 1 U 5.93e+005 0 e 0 51 60 56 369 65.799 0.590 3.259 1 U 1.98e+006 0 e 0 70 82 76 370 65.833 0.496 3.258 1 U 1.31e+006 0 e 0 70 79 76 371 65.833 0.683 3.259 1 U 1.08e+006 0 e 0 70 81 76 372 65.833 0.871 3.256 1 U 5.85e+005 0 e 0 70 172 76 373 65.833 1.885 3.258 1 U 1.17e+006 0 e 0 70 78 76 374 65.833 1.797 3.258 1 U 1.21e+006 0 e 0 0 0 0 375 66.803 1.991 3.443 1 U 8.2e+005 0 e 0 0 0 0 376 66.803 1.832 3.443 1 U 5.05e+005 0 e 0 0 0 0 377 66.739 0.978 3.438 1 U 1.82e+006 0 e 0 136 145 141 378 66.803 0.812 3.440 1 U 1.54e+006 0 e 0 136 144 141 379 66.803 0.695 3.440 1 U 1.03e+006 0 e 0 0 0 0 380 66.803 0.513 3.440 1 U 6.63e+005 0 e 0 136 79 141 381 61.663 1.956 3.840 1 U 8.12e+005 0 e 0 147 245 150 382 61.663 2.073 3.841 1 U 8.98e+005 0 e 0 147 242 150 383 61.583 1.297 3.843 1 U 1.84e+006 0 e 0 147 179 150 384 61.663 0.824 3.843 1 U 5.94e+005 0 e 0 147 144 150 385 61.874 2.073 3.841 1 U 7.92e+005 0 e 0 148 242 152 386 61.874 1.950 3.841 1 U 9.7e+005 0 e 0 148 245 152 387 61.874 1.299 3.841 1 U 1.41e+006 0 e 0 148 179 152 388 61.874 0.818 3.840 1 U 6.66e+005 0 e 0 148 144 152 389 57.373 1.797 4.011 1 U 9.28e+005 0 e 0 161 167 166 390 57.373 1.152 4.011 1 U 1.13e+006 0 e 0 161 168 166 391 57.277 0.696 4.010 1 U 2.98e+006 0 e 0 161 171 166 392 57.249 0.259 4.012 1 U 2.11e+006 0 e 0 161 119 166 393 41.186 1.492 1.795 1 U 7.3e+005 0 e 0 162 169 167 394 41.170 1.145 1.798 1 U 3.97e+006 0 e 0 162 168 167 395 41.209 0.868 1.795 1 U 1.2e+006 0 e 0 162 172 167 396 41.206 0.696 1.794 1 U 7.2e+005 0 e 0 162 171 167 397 41.214 4.017 1.799 1 U 6.07e+005 0 e 0 0 0 0 398 55.358 0.091 3.556 1 U 1.3e+006 0 e 0 174 272 177 399 55.359 0.539 3.550 1 U 2.65e+006 0 e 0 174 222 177 400 55.348 0.900 3.555 1 U 7.42e+005 0 e 0 174 270 177 401 55.303 1.106 3.559 1 U 6.78e+005 0 e 0 174 269 177 402 55.392 1.293 3.551 1 U 3.08e+006 0 e 0 174 179 177 403 55.408 4.254 3.548 1 U 7.65e+005 0 e 0 0 0 0 404 43.189 4.480 1.714 1 U 1.01e+006 0 e 0 196 200 202 405 43.123 0.998 1.809 1 U 1.71e+006 0 e 0 196 206 201 406 43.100 0.996 1.712 1 U 1.71e+006 0 e 0 196 206 202 407 43.112 1.957 1.805 1 U 2.17e+006 0 e 0 196 203 201 408 43.102 1.955 1.712 1 U 2.17e+006 0 e 0 196 203 202 409 43.128 0.539 1.708 1 U 7.78e+005 0 e 0 196 222 202 410 43.197 0.539 1.802 1 U 5.46e+005 0 e 0 196 222 201 411 43.189 4.480 1.802 1 U 1.2e+006 0 e 0 196 200 201 412 58.361 2.143 4.729 1 U 4.22e+006 0 e 0 213 219 218 413 58.400 0.956 4.729 1 U 3.61e+006 0 e 0 213 221 218 414 58.442 0.534 4.728 1 U 5.46e+005 0 e 0 213 222 218 415 52.190 2.897 4.697 1 U 3.29e+006 0 e 0 224 228 227 416 52.232 2.798 4.694 1 U 3.38e+006 0 e 0 224 229 227 417 52.304 1.290 4.694 1 U 6.79e+005 0 e 0 224 179 227 418 60.143 0.824 3.486 1 U 1.26e+006 0 e 0 235 144 238 419 60.073 1.110 3.482 1 U 6.1e+005 0 e 0 0 0 0 420 60.144 1.290 3.484 1 U 2.91e+006 0 e 0 235 179 238 421 60.122 1.938 3.483 1 U 4.85e+006 0 e 0 235 245 238 422 60.166 2.087 3.484 1 U 1.12e+006 0 e 0 235 242 238 423 60.169 2.345 3.483 1 U 5.18e+005 0 e 0 235 241 238 424 54.625 2.296 3.883 1 U 2.28e+006 0 e 0 254 292 257 425 54.631 1.116 3.879 1 U 4.58e+006 0 e 0 254 259 257 426 61.682 7.189 2.721 1 U 3.9e+005 0 e 0 261 307 267 427 61.580 0.086 2.718 1 U 2.24e+006 0 e 0 261 272 267 428 61.607 0.713 2.718 1 U 2e+006 0 e 0 261 273 267 429 61.674 0.891 2.718 1 U 6.5e+005 0 e 0 261 270 267 430 61.674 1.102 2.720 1 U 5.22e+005 0 e 0 261 269 267 431 61.674 1.929 2.720 1 U 6.55e+005 0 e 0 261 268 267 432 61.674 3.360 2.717 1 U 7.86e+005 0 e 0 261 303 267 433 61.674 3.284 2.718 1 U 5.07e+005 0 e 0 261 304 267 434 59.127 2.304 4.182 1 U 5.3e+006 0 e 0 281 292 285 435 59.081 1.547 4.185 1 U 1.88e+006 0 e 0 281 333 285 436 59.159 2.580 4.181 1 U 9.33e+005 0 e 0 281 288 285 437 28.400 2.574 2.289 1 U 4.58e+006 0 e 0 282 288 292 438 28.428 3.883 2.299 1 U 1.52e+006 0 e 0 282 257 292 439 28.395 4.184 2.292 1 U 2.78e+006 0 e 0 282 285 292 440 28.387 7.027 2.292 1 U 7.39e+005 0 e 0 282 305 292 441 29.870 7.184 3.262 1 U 5.34e+005 0 e 0 295 307 304 442 29.777 7.188 3.382 1 U 3.96e+005 0 e 0 295 307 303 443 29.850 4.832 3.380 1 U 8.14e+005 0 e 0 295 302 303 444 29.777 4.825 3.271 1 U 9.72e+005 0 e 0 295 302 304 445 29.777 1.290 3.372 1 U 4.62e+005 0 e 0 0 0 0 446 29.874 0.696 3.376 1 U 6.83e+005 0 e 0 0 0 0 447 29.815 0.692 3.267 1 U 8.94e+005 0 e 0 0 0 0 448 29.735 1.294 3.261 1 U 6.51e+005 0 e 0 0 0 0 449 29.777 0.903 3.372 1 U 3.78e+005 0 e 0 0 0 0 450 29.777 0.903 3.264 1 U 4.96e+005 0 e 0 0 0 0 451 59.488 1.769 3.856 1 U 1.14e+006 0 e 0 314 322 318 452 59.505 1.520 3.858 1 U 1.28e+006 0 e 0 314 323 318 453 59.595 0.909 3.857 1 U 1.42e+006 0 e 0 0 0 0 454 59.595 1.912 3.856 1 U 3.03e+006 0 e 0 314 326 318 455 59.595 1.994 3.854 1 U 3.38e+006 0 e 0 314 35 318 456 24.551 7.070 1.749 1 U 3.83e+005 0 e 0 0 0 0 457 24.579 4.735 1.760 1 U 3.33e+005 0 e 0 96 484 102 458 24.501 4.121 1.747 1 U 4.02e+005 0 e 0 96 99 102 459 24.499 1.495 1.758 1 U 3.36e+006 0 e 0 96 103 102 460 24.519 1.756 1.493 1 U 5.74e+006 0 e 0 96 102 103 461 24.387 3.016 1.492 1 U 4.45e+005 0 e 0 96 105 103 462 24.469 4.106 1.501 1 U 6.19e+005 0 e 0 96 99 103 463 24.468 2.111 1.751 1 U 1.1e+006 0 e 0 96 101 102 464 24.468 2.181 1.754 1 U 1.26e+006 0 e 0 96 100 102 465 24.468 2.105 1.495 1 U 7.66e+005 0 e 0 96 101 103 466 24.468 2.187 1.495 1 U 9.58e+005 0 e 0 96 100 103 467 24.468 3.020 1.755 1 U 5.05e+005 0 e 0 96 105 102 468 56.352 1.828 4.377 1 U 1.96e+006 0 e 0 335 344 338 469 56.417 3.260 4.376 1 U 1.91e+006 0 e 0 335 341 338 470 56.417 3.207 4.375 1 U 1.89e+006 0 e 0 335 342 338 471 56.417 2.041 4.375 1 U 3.26e+006 0 e 0 335 340 338 472 56.417 2.087 4.375 1 U 3.16e+006 0 e 0 335 339 338 473 35.768 1.824 1.388 1 U 4.72e+005 0 e 0 0 0 0 474 35.768 2.891 1.388 1 U 6.24e+005 0 e 0 0 0 0 475 35.768 2.891 1.257 1 U 4e+005 0 e 0 0 0 0 476 35.768 0.698 1.386 1 U 4.98e+005 0 e 0 356 582 359 477 35.768 0.745 1.386 1 U 5.86e+005 0 e 0 356 583 359 478 35.768 0.733 1.257 1 U 6.83e+005 0 e 0 356 583 360 479 35.768 0.698 1.259 1 U 5.06e+005 0 e 0 356 582 360 480 35.768 1.818 1.253 1 U 3.79e+005 0 e 0 0 0 0 481 35.768 4.849 1.386 1 U 1.05e+006 0 e 0 356 358 359 482 35.768 4.843 1.263 1 U 7.18e+005 0 e 0 356 358 360 483 62.812 0.704 4.076 1 U 1.08e+006 0 e 0 376 582 379 484 62.845 1.405 4.076 1 U 2.54e+006 0 e 0 376 383 379 485 62.812 1.624 4.076 1 U 7.81e+005 0 e 0 376 385 379 486 62.843 2.226 4.073 1 U 2.19e+006 0 e 0 376 380 379 487 62.828 1.855 4.081 1 U 4.15e+005 0 e 0 376 384 379 488 31.987 4.075 1.404 1 U 5.54e+005 0 e 0 377 379 381 489 32.026 2.225 1.405 1 U 3.36e+006 0 e 0 377 380 381 490 32.062 1.877 1.402 1 U 1.29e+006 0 e 0 377 384 381 491 32.106 1.630 1.403 1 U 1.58e+006 0 e 0 377 385 381 492 49.199 1.132 1.392 1 U 1.08e+006 0 e 0 378 371 383 493 49.199 1.132 1.487 1 U 1.46e+006 0 e 0 378 371 382 494 49.199 0.686 1.393 1 U 4.8e+005 0 e 0 378 373 383 495 49.199 0.686 1.487 1 U 3.45e+005 0 e 0 378 373 382 496 49.180 1.862 1.485 1 U 1.25e+006 0 e 0 378 384 382 497 49.186 1.865 1.391 1 U 1.18e+006 0 e 0 378 384 383 498 49.162 3.937 1.393 1 U 2.07e+006 0 e 0 0 0 0 499 49.311 2.219 1.480 1 U 3.51e+005 0 e 0 378 380 382 500 49.207 2.223 1.375 1 U 3.12e+005 0 e 0 378 380 383 501 49.155 3.943 1.486 1 U 1.16e+006 0 e 0 0 0 0 502 53.352 1.242 3.925 1 U 5.35e+006 0 e 0 387 392 390 503 53.385 1.780 3.926 1 U 3.4e+006 0 e 0 387 570 390 504 53.402 2.053 3.928 1 U 6.6e+005 0 e 0 387 568 390 505 53.473 2.257 3.925 1 U 3.6e+005 0 e 0 387 567 390 506 53.473 4.233 3.923 1 U 6.17e+005 0 e 0 387 577 390 507 54.531 2.967 4.575 1 U 2.12e+006 0 e 0 400 408 404 508 54.652 3.377 4.573 1 U 1.53e+006 0 e 0 400 407 404 509 54.652 1.706 4.575 1 U 1.47e+006 0 e 0 0 0 0 510 54.652 1.613 4.575 1 U 9.4e+005 0 e 0 0 0 0 511 54.652 1.319 4.575 1 U 7.4e+005 0 e 0 400 410 404 512 54.628 0.870 4.569 1 U 3.55e+005 0 e 0 400 435 404 513 42.180 4.573 3.366 1 U 1.49e+006 0 e 0 402 404 407 514 42.269 1.319 3.371 1 U 1.92e+006 0 e 0 402 410 407 515 60.137 2.945 4.334 1 U 1.5e+006 0 e 0 415 420 418 516 60.103 2.435 4.329 1 U 3.15e+006 0 e 0 415 450 418 517 60.136 0.598 4.329 1 U 7.22e+005 0 e 0 415 374 418 518 60.136 0.874 4.330 1 U 5.93e+005 0 e 0 415 435 418 519 60.136 1.712 4.324 1 U 4.44e+005 0 e 0 0 0 0 520 60.136 3.031 4.333 1 U 1.32e+006 0 e 0 415 419 418 521 36.427 4.335 2.924 1 U 1.05e+006 0 e 0 416 418 420 522 36.523 4.333 3.045 1 U 8.39e+005 0 e 0 416 418 419 523 63.655 0.861 3.927 1 U 2.34e+006 0 e 0 0 0 0 524 63.719 1.166 3.928 1 U 5.6e+005 0 e 0 0 0 0 525 63.666 1.435 3.926 1 U 1.43e+006 0 e 0 423 431 429 526 63.686 1.701 3.926 1 U 3.54e+006 0 e 0 423 430 429 527 63.665 1.995 3.927 1 U 1.61e+006 0 e 0 423 464 429 528 63.597 2.229 3.931 1 U 4.13e+005 0 e 0 0 0 0 529 37.990 3.928 1.700 1 U 2.75e+006 0 e 0 424 429 430 530 37.955 1.429 1.699 1 U 2.16e+006 0 e 0 424 431 430 531 37.984 1.164 1.702 1 U 1.14e+006 0 e 0 424 432 430 532 37.983 0.859 1.697 1 U 3.6e+006 0 e 0 0 0 0 533 62.168 7.068 3.935 1 U 1.71e+006 0 e 0 444 488 449 534 62.262 6.710 3.935 1 U 4.4e+005 0 e 0 444 489 449 535 62.309 1.539 3.932 1 U 7.81e+005 0 e 0 0 0 0 536 62.273 1.706 3.934 1 U 5.8e+005 0 e 0 0 0 0 537 62.273 1.941 3.937 1 U 8.51e+005 0 e 0 0 0 0 538 62.273 2.433 3.934 1 U 5.36e+005 0 e 0 444 450 449 539 62.273 0.733 3.934 1 U 6.06e+005 0 e 0 0 0 0 540 62.273 0.850 3.936 1 U 2.78e+006 0 e 0 0 0 0 541 62.273 0.938 3.936 1 U 2.09e+006 0 e 0 0 0 0 542 58.408 0.856 4.307 1 U 6.45e+005 0 e 0 0 0 0 543 58.408 1.267 4.308 1 U 1.47e+006 0 e 0 457 498 460 544 58.349 1.991 4.311 1 U 4.01e+006 0 e 0 457 464 460 545 58.350 2.215 4.308 1 U 1.96e+006 0 e 0 457 462 460 546 58.408 2.416 4.307 1 U 1.32e+006 0 e 0 457 461 460 547 58.395 3.929 4.306 1 U 4.28e+005 0 e 0 0 0 0 548 57.057 7.053 3.937 1 U 3.51e+005 0 e 0 466 488 471 549 41.223 0.765 0.767 1 U 1.14e+007 0 e 0 467 473 473 550 41.198 1.173 0.766 1 U 6.14e+006 0 e 0 467 472 473 551 41.188 1.595 0.767 1 U 8.22e+005 0 e 0 467 474 473 552 39.639 7.065 3.436 1 U 1.1e+006 0 e 0 480 488 485 553 39.639 4.743 3.434 1 U 1.01e+006 0 e 0 480 484 485 554 39.639 4.181 3.434 1 U 5.13e+005 0 e 0 480 66 485 555 39.674 3.442 3.442 1 U 5.16e+006 0 e 0 480 485 485 556 39.691 2.767 3.442 1 U 4.59e+006 0 e 0 480 486 485 557 39.639 2.170 3.439 1 U 2.16e+005 0 e 0 480 100 485 558 39.636 1.751 3.440 1 U 3.16e+005 0 e 0 480 102 485 559 39.672 1.541 3.438 1 U 6.71e+005 0 e 0 480 68 485 560 39.642 1.554 2.766 1 U 6.68e+005 0 e 0 480 68 486 561 39.675 3.444 2.763 1 U 3.8e+006 0 e 0 480 485 486 562 39.689 7.062 2.762 1 U 1.3e+006 0 e 0 480 488 486 563 61.056 0.997 4.465 1 U 3.54e+006 0 e 0 491 61 496 564 61.063 1.266 4.462 1 U 3.31e+006 0 e 0 491 498 496 565 61.128 1.876 4.460 1 U 3.46e+005 0 e 0 0 0 0 566 70.450 1.267 4.405 1 U 2.58e+006 0 e 0 492 498 496 567 70.526 0.997 4.402 1 U 8.21e+005 0 e 0 492 61 496 568 70.526 0.862 4.402 1 U 5.09e+005 0 e 0 0 0 0 569 40.751 4.456 2.729 1 U 1.63e+006 0 e 0 501 503 505 570 40.751 4.456 2.876 1 U 1.73e+006 0 e 0 501 503 504 571 40.660 1.716 2.729 1 U 5.02e+005 0 e 0 0 0 0 572 59.981 0.873 4.256 1 U 3.4e+006 0 e 0 523 532 528 573 59.965 1.873 4.255 1 U 3.26e+006 0 e 0 523 529 528 574 39.044 4.409 2.681 1 U 1.25e+006 0 e 0 543 545 547 575 39.044 1.302 2.680 1 U 6.48e+005 0 e 0 543 26 547 576 39.126 3.148 2.678 1 U 6.04e+006 0 e 0 543 546 547 577 53.881 1.407 5.142 1 U 3.25e+005 0 e 0 0 0 0 578 53.829 1.775 5.139 1 U 2.5e+006 0 e 0 563 570 566 579 53.881 0.587 5.141 1 U 9.36e+005 0 e 0 563 374 566 580 53.867 2.064 5.139 1 U 1.36e+006 0 e 0 563 568 566 581 53.944 2.271 5.142 1 U 8.76e+005 0 e 0 563 567 566 582 43.197 0.718 1.469 1 U 2.43e+006 0 e 0 573 583 578 583 43.200 0.712 1.354 1 U 1.87e+006 0 e 0 573 583 579 584 43.189 4.233 1.469 1 U 1.28e+006 0 e 0 573 577 578 585 43.189 4.227 1.353 1 U 1.06e+006 0 e 0 573 577 579 586 43.203 4.081 1.353 1 U 6.63e+005 0 e 0 573 379 579 587 29.863 3.177 1.709 1 U 6.13e+005 0 e 0 585 593 589 588 29.988 4.509 1.713 1 U 8.27e+005 0 e 0 585 587 589 589 29.971 3.635 1.708 1 U 4.71e+005 0 e 0 585 603 589 590 29.971 3.717 1.708 1 U 3.85e+005 0 e 0 585 602 589 591 29.976 4.509 1.861 1 U 1.17e+006 0 e 0 585 587 588 592 29.980 3.723 1.860 1 U 3.71e+005 0 e 0 585 602 588 593 29.980 3.635 1.860 1 U 5.92e+005 0 e 0 585 603 588 594 29.980 3.178 1.860 1 U 5.44e+005 0 e 0 585 593 588 595 63.394 7.200 4.323 1 U 3.24e+005 0 e 0 596 633 599 596 63.480 1.244 4.319 1 U 1.31e+006 0 e 0 596 392 599 597 63.394 1.882 4.317 1 U 2.35e+006 0 e 0 596 601 599 598 63.394 1.994 4.317 1 U 1.27e+006 0 e 0 596 604 599 599 63.466 2.220 4.318 1 U 3.84e+006 0 e 0 596 600 599 600 50.481 4.510 3.741 1 U 3.99e+006 0 e 0 0 0 0 601 50.491 4.507 3.634 1 U 3.93e+006 0 e 0 0 0 0 602 50.453 2.216 3.739 1 U 5.31e+005 0 e 0 598 600 602 603 50.506 2.218 3.639 1 U 3.08e+005 0 e 0 598 600 603 604 50.453 1.701 3.635 1 U 1.08e+006 0 e 0 0 0 0 605 50.453 1.695 3.741 1 U 5.77e+005 0 e 0 0 0 0 606 50.453 1.249 3.747 1 U 5.24e+005 0 e 0 598 392 602 607 40.910 4.509 2.588 1 U 5.38e+006 0 e 0 0 0 0 608 32.548 3.993 1.947 1 U 1.26e+006 0 e 0 615 619 620 609 32.548 0.739 1.948 1 U 3.68e+006 0 e 0 0 0 0 610 39.359 7.218 3.155 1 U 6.41e+005 0 e 0 626 633 630 611 39.359 7.223 2.977 1 U 6.25e+005 0 e 0 626 633 631 612 39.359 4.415 3.153 1 U 7.6e+005 0 e 0 0 0 0 613 39.359 4.544 3.153 1 U 1.34e+006 0 e 0 626 629 630 614 39.359 4.538 2.976 1 U 8.67e+005 0 e 0 626 629 631 615 39.359 1.314 3.144 1 U 3.32e+005 0 e 0 0 0 0 616 52.624 1.349 4.241 1 U 2.68e+006 0 e 0 640 645 643 617 19.219 1.627 1.348 1 U 2.86e+006 0 e 0 0 0 0 618 30.885 0.669 0.490 1 U 2.34e+006 0 e 0 0 0 0 619 59.480 1.294 3.852 1 U 4.56e+005 0 e 0 0 0 0 620 18.383 1.284 0.843 1 U 7.62e+006 0 e 0 0 0 0 621 57.346 1.434 4.006 1 U 2.24e+006 0 e 0 0 0 0 622 19.783 1.100 0.717 1 U 2.32e+006 0 e 0 0 0 0 623 18.160 1.650 1.236 1 U 5.96e+005 0 e 0 0 0 0 624 18.074 1.643 1.243 1 U 7.13e+005 0 e 0 0 0 0 625 16.651 4.265 0.599 1 U 1.02e+006 0 e 0 0 0 0 626 55.602 0.862 3.744 1 U 1.94e+006 0 e 0 21 531 24 627 24.419 1.186 1.021 1 U 4.67e+006 0 e 0 0 0 0 628 39.126 2.425 2.677 1 U 4.15e+005 0 e 0 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . C 13 C-aliphatic 3 aliased 64 ppm . . . 40.4 . . 30309 2 2 . . H 1 H-aliphatic . aliased 12 ppm . . . 4.802 . . 30309 2 3 . . H 1 H-aliphatic 1 . 12 ppm . . . 4.802 . . 30309 2 stop_ save_ save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 30309 _Spectral_peak_list.ID 3 _Spectral_peak_list.Sample_ID 3 _Spectral_peak_list.Sample_label $sample_3 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name 3D_15N-separated_NOESY _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 1 105.259 7.262 7.261 1 U 1.13e+007 0 e 0 497 494 494 2 105.266 7.999 7.260 1 U 1.24e+006 0 e 0 497 483 494 3 105.261 8.362 7.262 1 U 9.89e+005 0 e 0 497 502 494 4 105.265 4.456 7.260 1 U 7.36e+005 0 e 0 497 495 494 5 105.254 4.319 7.259 1 U 6.45e+005 0 e 0 497 460 494 6 105.270 1.259 7.262 1 U 8.13e+005 0 e 0 497 498 494 7 105.263 4.749 7.262 1 U 3.11e+005 0 e 0 497 484 494 8 105.258 2.761 7.259 1 U 1.84e+005 0 e 0 497 486 494 9 106.015 8.389 8.391 1 U 1.7e+007 0 e 0 512 509 509 10 106.012 8.005 8.391 1 U 8.8e+005 0 e 0 512 516 509 11 106.036 6.271 8.389 1 U 2.31e+005 0 e 0 0 0 0 12 106.013 7.256 8.390 1 U 1.9e+005 0 e 0 512 527 509 13 106.014 4.454 8.390 1 U 1.27e+006 0 e 0 512 503 509 14 106.014 3.984 8.390 1 U 1.43e+006 0 e 0 512 510 509 15 106.016 3.785 8.391 1 U 2.31e+006 0 e 0 512 511 509 16 107.673 8.458 8.460 1 U 1.32e+007 0 e 0 353 350 350 17 107.677 7.964 8.459 1 U 1.48e+006 0 e 0 353 337 350 18 107.682 7.393 8.459 1 U 1.26e+006 0 e 0 353 357 350 19 107.682 4.381 8.457 1 U 3.66e+005 0 e 0 353 338 350 20 107.681 4.195 8.460 1 U 1.29e+006 0 e 0 353 351 350 21 107.672 3.636 8.459 1 U 1.86e+006 0 e 0 353 352 350 22 107.644 3.861 8.462 1 U 2.48e+005 0 e 0 353 318 350 23 107.685 0.865 8.461 1 U 2.42e+005 0 e 0 353 39 350 24 108.390 8.427 8.427 1 U 1.81e+007 0 e 0 126 123 123 25 108.390 7.691 8.426 1 U 1.9e+006 0 e 0 126 113 123 26 108.389 7.096 8.427 1 U 1.41e+006 0 e 0 126 130 123 27 108.392 4.419 8.425 1 U 1.38e+006 0 e 0 126 124 123 28 108.385 4.287 8.427 1 U 9.52e+005 0 e 0 126 87 123 29 108.398 3.633 8.426 1 U 2.6e+006 0 e 0 126 125 123 30 108.393 3.260 8.426 1 U 1.96e+005 0 e 0 126 76 123 31 108.373 1.577 8.427 1 U 5.49e+005 0 e 0 126 115 123 32 108.408 0.607 8.426 1 U 2.31e+005 0 e 0 0 0 0 33 108.951 7.096 7.096 1 U 2.83e+007 0 e 0 134 130 130 34 108.940 0.606 7.096 1 U 6.12e+005 0 e 0 134 82 130 35 108.948 1.318 7.096 1 U 1.46e+006 0 e 0 134 159 130 36 108.941 1.579 7.096 1 U 3.99e+005 0 e 0 134 115 130 37 108.951 4.515 7.096 1 U 1.4e+006 0 e 0 134 131 130 38 108.949 4.247 7.095 1 U 6.13e+005 0 e 0 134 132 130 39 108.939 4.101 7.096 1 U 3.49e+005 0 e 0 134 133 130 40 108.936 3.633 7.096 1 U 6.05e+005 0 e 0 134 125 130 41 108.929 3.263 7.096 1 U 2.93e+005 0 e 0 134 76 130 42 108.933 8.869 7.096 1 U 1.68e+005 0 e 0 134 140 130 43 108.952 8.241 7.097 1 U 2.33e+005 0 e 0 134 156 130 44 110.174 8.007 8.008 1 U 2.06e+007 0 e 0 210 209 209 45 110.177 4.486 8.008 1 U 5.1e+005 0 e 0 210 200 209 46 110.182 4.116 8.008 1 U 9.37e+005 0 e 0 210 191 209 47 110.177 3.969 8.008 1 U 4.09e+006 0 e 0 210 211 209 48 110.192 1.435 8.008 1 U 2.76e+005 0 e 0 210 186 209 49 110.205 0.974 8.008 1 U 2.48e+005 0 e 0 210 205 209 50 110.187 0.535 8.008 1 U 1.88e+005 0 e 0 210 222 209 51 110.658 8.296 8.297 1 U 2.58e+007 0 e 0 637 636 636 52 110.663 4.550 8.297 1 U 1.85e+006 0 e 0 637 629 636 53 110.660 3.850 8.297 1 U 2.38e+006 0 e 0 637 638 636 54 110.651 3.156 8.296 1 U 2.43e+005 0 e 0 637 630 636 55 110.622 2.984 8.297 1 U 2.27e+005 0 e 0 637 631 636 56 111.183 8.700 8.700 1 U 1.02e+007 0 e 0 398 395 395 57 111.187 7.928 8.699 1 U 7.93e+005 0 e 0 398 403 395 58 111.192 4.203 8.699 1 U 9.29e+005 0 e 0 398 396 395 59 111.180 3.931 8.700 1 U 3.31e+006 0 e 0 398 390 395 60 111.185 3.745 8.701 1 U 1.6e+006 0 e 0 398 397 395 61 111.201 1.778 8.698 1 U 2.81e+005 0 e 0 398 570 395 62 111.186 1.248 8.700 1 U 7.96e+005 0 e 0 398 392 395 63 111.435 7.934 7.927 1 U 2.28e+007 0 e 0 220 217 217 64 111.437 4.737 7.926 1 U 1.27e+006 0 e 0 220 218 217 65 111.448 4.128 7.927 1 U 2.58e+005 0 e 0 0 0 0 66 111.435 3.969 7.927 1 U 1.2e+006 0 e 0 220 211 217 67 111.429 3.558 7.926 1 U 4.28e+005 0 e 0 220 177 217 68 111.445 2.148 7.927 1 U 3.25e+005 0 e 0 220 219 217 69 111.438 0.537 7.927 1 U 2.08e+006 0 e 0 220 222 217 70 111.432 0.957 7.927 1 U 8.98e+005 0 e 0 220 221 217 71 111.436 1.294 7.927 1 U 2.54e+005 0 e 0 220 179 217 72 112.470 6.355 6.356 1 U 1.21e+007 0 e 0 271 266 266 73 112.468 7.301 6.355 1 U 1.16e+006 0 e 0 271 256 266 74 112.470 7.905 6.356 1 U 9.28e+005 0 e 0 271 276 266 75 112.471 3.886 6.355 1 U 4.05e+005 0 e 0 271 257 266 76 112.472 3.496 6.356 1 U 4.23e+005 0 e 0 271 238 266 77 112.472 2.730 6.356 1 U 6.71e+005 0 e 0 271 267 266 78 112.468 1.926 6.356 1 U 1.93e+006 0 e 0 271 268 266 79 112.467 1.105 6.356 1 U 2.73e+006 0 e 0 0 0 0 80 112.456 0.890 6.355 1 U 8.23e+005 0 e 0 271 270 266 81 112.492 0.727 6.356 1 U 4.06e+005 0 e 0 271 273 266 82 112.428 0.540 6.356 1 U 2.31e+005 0 e 0 271 222 266 83 112.468 0.093 6.355 1 U 3.24e+005 0 e 0 271 272 266 84 113.397 7.907 7.908 1 U 2.7e+007 0 e 0 278 276 276 85 113.386 1.102 7.909 1 U 3.88e+005 0 e 0 278 269 276 86 113.390 1.929 7.909 1 U 2.54e+006 0 e 0 278 268 276 87 113.388 2.733 7.909 1 U 3.64e+005 0 e 0 278 267 276 88 113.372 3.480 7.909 1 U 2.28e+005 0 e 0 278 238 276 89 113.389 3.867 7.909 1 U 3.98e+006 0 e 0 278 277 276 90 113.388 6.354 7.908 1 U 1.63e+006 0 e 0 278 266 276 91 113.376 7.302 7.909 1 U 2.26e+005 0 e 0 278 256 276 92 113.862 8.040 8.038 1 U 6.96e+006 0 e 0 372 369 369 93 113.864 5.133 8.034 1 U 8.84e+005 0 e 0 372 566 369 94 113.865 4.835 8.035 1 U 1.26e+006 0 e 0 372 358 369 95 113.859 1.383 8.036 1 U 5.32e+005 0 e 0 372 359 369 96 114.239 7.254 7.254 1 U 1.09e+007 0 e 0 530 527 527 97 114.235 8.006 7.252 1 U 6.54e+005 0 e 0 530 516 527 98 114.241 4.422 7.248 1 U 1.93e+005 0 e 0 0 0 0 99 114.236 4.268 7.254 1 U 4.84e+005 0 e 0 0 0 0 100 114.221 4.056 7.256 1 U 3.66e+005 0 e 0 530 517 527 101 114.240 1.867 7.253 1 U 7.53e+005 0 e 0 0 0 0 102 114.224 0.867 7.252 1 U 5.09e+005 0 e 0 0 0 0 103 114.358 8.409 8.409 1 U 2.54e+007 0 e 0 151 149 149 104 114.360 8.872 8.409 1 U 1.33e+006 0 e 0 151 140 149 105 114.352 4.239 8.409 1 U 7.1e+005 0 e 0 151 132 149 106 114.362 4.089 8.409 1 U 1.61e+006 0 e 0 151 133 149 107 114.360 3.833 8.409 1 U 4.45e+006 0 e 0 151 150 149 108 114.367 3.447 8.409 1 U 5.07e+005 0 e 0 151 141 149 109 114.363 2.010 8.409 1 U 2.2e+006 0 e 0 151 142 149 110 114.339 1.303 8.409 1 U 3.03e+005 0 e 0 0 0 0 111 114.361 0.986 8.409 1 U 4.32e+005 0 e 0 151 145 149 112 114.363 0.811 8.409 1 U 7.87e+005 0 e 0 151 144 149 113 114.409 8.495 8.497 1 U 2.21e+006 0 e 0 251 249 249 114 114.388 7.683 8.498 1 U 2.03e+005 0 e 0 251 230 249 115 114.412 7.302 8.496 1 U 4.15e+005 0 e 0 251 256 249 116 114.392 3.987 8.498 1 U 4.18e+005 0 e 0 251 250 249 117 114.410 3.798 8.498 1 U 7.9e+005 0 e 0 251 252 249 118 114.382 2.812 8.498 1 U 1.8e+005 0 e 0 251 229 249 119 114.407 1.944 8.498 1 U 3.39e+005 0 e 0 251 245 249 120 114.394 7.929 7.928 1 U 1.36e+007 0 e 0 412 403 403 121 114.409 8.701 7.928 1 U 9.41e+005 0 e 0 412 395 403 122 114.413 9.626 7.929 1 U 9.13e+005 0 e 0 412 417 403 123 114.422 4.576 7.929 1 U 7.46e+005 0 e 0 412 404 403 124 114.421 4.206 7.930 1 U 3.21e+005 0 e 0 412 396 403 125 114.360 3.931 7.929 1 U 3.81e+005 0 e 0 0 0 0 126 114.399 3.741 7.930 1 U 2.98e+005 0 e 0 412 397 403 127 114.397 0.590 7.928 1 U 3.35e+005 0 e 0 412 374 403 128 114.416 1.302 7.928 1 U 9.42e+005 0 e 0 0 0 0 129 114.412 1.593 7.928 1 U 1.12e+006 0 e 0 0 0 0 130 114.594 8.079 8.079 1 U 1.3e+007 0 e 0 38 33 33 131 114.601 8.913 8.079 1 U 5.53e+005 0 e 0 38 23 33 132 114.598 7.848 8.079 1 U 1.87e+006 0 e 0 38 44 33 133 114.614 3.754 8.080 1 U 2.43e+005 0 e 0 38 24 33 134 114.593 3.601 8.079 1 U 6.85e+005 0 e 0 38 34 33 135 114.591 1.997 8.078 1 U 1.43e+006 0 e 0 38 35 33 136 114.596 1.303 8.079 1 U 1.5e+006 0 e 0 38 26 33 137 115.127 7.995 7.993 1 U 1.09e+007 0 e 0 487 483 483 138 115.119 7.263 7.993 1 U 1.21e+006 0 e 0 487 494 483 139 115.118 7.036 7.994 1 U 1.31e+006 0 e 0 487 470 483 140 115.109 4.744 7.992 1 U 6.46e+005 0 e 0 487 484 483 141 115.112 2.758 7.994 1 U 7.08e+005 0 e 0 487 486 483 142 115.109 3.443 7.995 1 U 3.76e+005 0 e 0 487 485 483 143 115.105 3.945 7.992 1 U 3.23e+005 0 e 0 487 449 483 144 115.155 4.324 7.990 1 U 2.25e+005 0 e 0 0 0 0 145 115.106 0.772 7.996 1 U 2e+005 0 e 0 487 473 483 146 115.198 7.964 7.962 1 U 2.09e+007 0 e 0 346 337 337 147 115.204 8.459 7.962 1 U 1.89e+006 0 e 0 346 350 337 148 115.194 7.725 7.962 1 U 1.52e+006 0 e 0 346 330 337 149 115.212 7.393 7.962 1 U 2.22e+005 0 e 0 346 357 337 150 115.203 4.381 7.961 1 U 1.19e+006 0 e 0 346 338 337 151 115.196 4.178 7.961 1 U 6.71e+005 0 e 0 346 331 337 152 115.228 3.240 7.962 1 U 2.57e+005 0 e 0 346 341 337 153 115.205 1.550 7.962 1 U 1.57e+006 0 e 0 346 333 337 154 115.436 7.840 7.838 1 U 1.73e+007 0 e 0 204 199 199 155 115.436 4.484 7.836 1 U 1.11e+006 0 e 0 204 200 199 156 115.437 4.125 7.836 1 U 5.66e+005 0 e 0 204 191 199 157 115.459 3.985 7.836 1 U 3.57e+005 0 e 0 204 211 199 158 115.449 3.556 7.836 1 U 2.98e+005 0 e 0 204 177 199 159 115.444 1.963 7.838 1 U 1.13e+006 0 e 0 204 203 199 160 115.434 1.724 7.839 1 U 2.34e+006 0 e 0 204 202 199 161 115.431 1.432 7.838 1 U 1.59e+006 0 e 0 204 193 199 162 115.417 0.540 7.839 1 U 1.8e+005 0 e 0 204 222 199 163 115.479 0.695 7.837 1 U 1.46e+005 0 e 0 204 171 199 164 116.890 7.394 7.391 1 U 1.6e+007 0 e 0 363 357 357 165 116.883 8.459 7.390 1 U 1.3e+006 0 e 0 363 350 357 166 116.905 4.194 7.394 1 U 3.74e+005 0 e 0 363 351 357 167 116.894 3.633 7.396 1 U 4.57e+005 0 e 0 363 352 357 168 116.898 1.383 7.394 1 U 5.43e+005 0 e 0 363 359 357 169 116.916 1.286 7.394 1 U 6.36e+005 0 e 0 363 360 357 170 116.896 0.871 7.391 1 U 2.29e+005 0 e 0 0 0 0 171 116.988 8.641 8.639 1 U 1.22e+007 0 e 0 463 459 459 172 116.995 7.576 8.639 1 U 9.62e+005 0 e 0 463 448 459 173 117.001 7.017 8.640 1 U 6.87e+005 0 e 0 463 470 459 174 116.999 4.317 8.639 1 U 1.15e+006 0 e 0 0 0 0 175 117.000 3.935 8.639 1 U 5.52e+005 0 e 0 0 0 0 176 116.988 2.421 8.639 1 U 1.62e+006 0 e 0 0 0 0 177 116.999 2.220 8.640 1 U 3.63e+005 0 e 0 0 0 0 178 116.991 1.996 8.639 1 U 1.93e+006 0 e 0 0 0 0 179 116.999 0.855 8.640 1 U 4.14e+005 0 e 0 0 0 0 180 117.017 6.865 8.640 1 U 1.54e+005 0 e 0 463 439 459 181 117.074 8.158 8.157 1 U 2.02e+007 0 e 0 232 226 226 182 117.075 4.729 8.157 1 U 3.5e+006 0 e 0 232 227 226 183 117.079 2.903 8.157 1 U 1.37e+006 0 e 0 232 228 226 184 117.076 2.150 8.157 1 U 3.72e+006 0 e 0 232 219 226 185 117.081 1.115 8.157 1 U 8.34e+005 0 e 0 232 259 226 186 117.076 0.955 8.157 1 U 6.22e+005 0 e 0 232 221 226 187 117.072 0.537 8.157 1 U 7.51e+005 0 e 0 232 222 226 188 117.108 7.691 7.690 1 U 1.35e+007 0 e 0 118 113 113 189 117.106 8.183 7.689 1 U 1.01e+006 0 e 0 118 98 113 190 117.113 8.428 7.689 1 U 1.53e+006 0 e 0 118 123 113 191 117.109 4.273 7.690 1 U 9.72e+005 0 e 0 118 114 113 192 117.106 3.265 7.688 1 U 1.8e+005 0 e 0 118 76 113 193 117.119 2.190 7.690 1 U 9.26e+005 0 e 0 118 100 113 194 117.107 1.753 7.694 1 U 1.8e+005 0 e 0 118 102 113 195 117.110 1.575 7.689 1 U 1.74e+006 0 e 0 118 115 113 196 117.111 1.389 7.689 1 U 1.36e+006 0 e 0 118 117 113 197 117.110 0.623 7.689 1 U 3.9e+005 0 e 0 118 120 113 198 117.104 0.263 7.691 1 U 1.71e+005 0 e 0 118 119 113 199 117.493 7.888 7.888 1 U 2.09e+007 0 e 0 90 86 86 200 117.487 8.179 7.888 1 U 1.45e+006 0 e 0 90 98 86 201 117.483 8.464 7.887 1 U 1.67e+006 0 e 0 90 75 86 202 117.500 4.286 7.888 1 U 1.55e+006 0 e 0 90 87 86 203 117.502 3.671 7.888 1 U 5.61e+005 0 e 0 90 55 86 204 117.502 3.260 7.888 1 U 3.14e+005 0 e 0 90 76 86 205 117.499 2.824 7.888 1 U 3.25e+006 0 e 0 90 92 86 206 117.500 4.145 7.888 1 U 3.67e+005 0 e 0 90 45 86 207 117.503 1.796 7.888 1 U 1.89e+006 0 e 0 0 0 0 208 117.490 0.608 7.888 1 U 6.45e+005 0 e 0 0 0 0 209 117.717 7.728 8.815 1 U 1.01e+006 0 e 0 324 330 317 210 117.714 8.815 8.815 1 U 1.28e+007 0 e 0 324 317 317 211 117.715 4.172 8.815 1 U 1.56e+005 0 e 0 324 331 317 212 117.721 3.876 8.816 1 U 1.03e+006 0 e 0 324 318 317 213 117.724 3.358 8.816 1 U 1.07e+006 0 e 0 324 303 317 214 117.715 1.918 8.815 1 U 3.05e+006 0 e 0 324 326 317 215 117.731 1.538 8.815 1 U 3.35e+005 0 e 0 324 323 317 216 117.714 0.936 8.815 1 U 4.74e+005 0 e 0 324 40 317 217 117.736 0.704 8.815 1 U 2.31e+005 0 e 0 324 273 317 218 117.805 8.465 8.465 1 U 1.68e+007 0 e 0 80 75 75 219 117.805 4.172 8.465 1 U 7.6e+005 0 e 0 80 66 75 220 117.780 3.616 8.465 1 U 2.33e+005 0 e 0 80 34 75 221 117.802 3.263 8.465 1 U 1.09e+006 0 e 0 80 76 75 222 117.806 1.548 8.465 1 U 1.19e+006 0 e 0 80 68 75 223 117.809 0.876 8.465 1 U 7.43e+005 0 e 0 0 0 0 224 117.809 0.672 8.465 1 U 9.45e+005 0 e 0 0 0 0 225 117.813 0.506 8.465 1 U 8.38e+005 0 e 0 0 0 0 226 117.901 7.938 7.938 1 U 1.6e+007 0 e 0 433 428 428 227 117.891 9.630 7.937 1 U 7.28e+005 0 e 0 433 417 428 228 117.914 6.865 7.938 1 U 8.61e+005 0 e 0 433 439 428 229 117.891 4.333 7.938 1 U 3.21e+005 0 e 0 433 418 428 230 117.901 3.931 7.938 1 U 1.19e+006 0 e 0 433 429 428 231 117.908 3.021 7.938 1 U 4.18e+005 0 e 0 433 419 428 232 117.899 1.703 7.938 1 U 1.91e+006 0 e 0 433 430 428 233 117.909 1.170 7.938 1 U 6.4e+005 0 e 0 433 432 428 234 117.900 0.870 7.938 1 U 1.5e+006 0 e 0 433 435 428 235 117.996 1.436 7.937 1 U 2.91e+005 0 e 0 433 431 428 236 118.102 7.577 7.577 1 U 1.11e+007 0 e 0 453 448 448 237 118.103 8.638 7.577 1 U 1.1e+006 0 e 0 453 459 448 238 118.101 6.866 7.577 1 U 1.33e+006 0 e 0 453 439 448 239 118.086 4.592 7.574 1 U 3.89e+005 0 e 0 453 440 448 240 118.107 4.330 7.576 1 U 7.76e+005 0 e 0 453 418 448 241 118.096 3.934 7.577 1 U 8.61e+005 0 e 0 453 449 448 242 118.105 2.800 7.577 1 U 9.86e+005 0 e 0 453 442 448 243 118.100 2.424 7.577 1 U 1.62e+006 0 e 0 453 450 448 244 118.104 1.694 7.577 1 U 1.11e+006 0 e 0 453 451 448 245 118.095 1.517 7.577 1 U 5.52e+005 0 e 0 453 452 448 246 118.226 7.893 7.893 1 U 3.86e+007 0 e 0 185 183 183 247 118.219 8.507 7.893 1 U 2.02e+006 0 e 0 185 176 183 248 118.244 7.438 7.893 1 U 2.95e+005 0 e 0 185 165 183 249 118.226 4.139 7.893 1 U 3.49e+006 0 e 0 185 184 183 250 118.216 3.842 7.893 1 U 5.01e+005 0 e 0 185 150 183 251 118.217 3.556 7.893 1 U 6.97e+005 0 e 0 185 177 183 252 118.219 1.293 7.893 1 U 3.42e+006 0 e 0 185 179 183 253 118.223 1.441 7.893 1 U 6.14e+006 0 e 0 185 186 183 254 118.476 7.776 7.774 1 U 1.53e+007 0 e 0 59 54 54 255 118.479 4.165 7.775 1 U 3.45e+005 0 e 0 59 45 54 256 118.477 3.684 7.774 1 U 1.39e+006 0 e 0 59 55 54 257 118.476 2.966 7.774 1 U 1.17e+006 0 e 0 59 46 54 258 118.481 2.630 7.774 1 U 6.72e+005 0 e 0 59 47 54 259 118.480 1.908 7.774 1 U 2.35e+006 0 e 0 59 56 54 260 118.476 1.512 7.774 1 U 1.35e+006 0 e 0 59 57 54 261 118.477 1.343 7.774 1 U 1.04e+006 0 e 0 59 58 54 262 118.459 0.995 7.774 1 U 4.04e+005 0 e 0 59 61 54 263 118.463 0.772 7.774 1 U 3.15e+005 0 e 0 59 60 54 264 118.611 8.007 8.007 1 U 2.09e+007 0 e 0 518 516 516 265 118.607 8.387 8.007 1 U 1.13e+006 0 e 0 518 509 516 266 118.615 7.253 8.007 1 U 1.43e+006 0 e 0 518 527 516 267 118.600 4.426 8.006 1 U 5.57e+005 0 e 0 0 0 0 268 118.611 4.047 8.007 1 U 1.45e+006 0 e 0 518 517 516 269 118.622 3.782 8.007 1 U 5.42e+005 0 e 0 518 511 516 270 118.591 2.732 8.007 1 U 1.64e+005 0 e 0 518 505 516 271 118.612 0.861 8.005 1 U 1.64e+005 0 e 0 0 0 0 272 118.730 7.014 7.014 1 U 1.38e+007 0 e 0 475 470 470 273 118.743 7.996 7.014 1 U 1.16e+006 0 e 0 475 483 470 274 118.732 8.640 7.015 1 U 6.8e+005 0 e 0 475 459 470 275 118.707 4.592 7.013 1 U 1.73e+005 0 e 0 475 440 470 276 118.732 4.315 7.015 1 U 3.07e+005 0 e 0 475 460 470 277 118.738 3.949 7.015 1 U 1.13e+006 0 e 0 475 471 470 278 118.732 1.996 7.014 1 U 4.4e+005 0 e 0 475 464 470 279 118.730 1.596 7.014 1 U 1.29e+006 0 e 0 475 474 470 280 118.730 1.180 7.014 1 U 1.54e+006 0 e 0 475 472 470 281 118.728 0.770 7.014 1 U 9.62e+005 0 e 0 475 473 470 282 118.907 8.914 8.915 1 U 1.15e+007 0 e 0 25 23 23 283 118.924 8.077 8.916 1 U 6.26e+005 0 e 0 25 33 23 284 118.910 5.019 8.915 1 U 1.66e+006 0 e 0 25 13 23 285 118.911 3.749 8.915 1 U 8.89e+005 0 e 0 25 24 23 286 118.910 3.060 8.915 1 U 1.78e+006 0 e 0 25 14 23 287 118.904 1.304 8.915 1 U 1.93e+006 0 e 0 25 26 23 288 119.052 8.361 8.359 1 U 1.47e+007 0 e 0 506 502 502 289 119.027 7.994 8.359 1 U 2.51e+005 0 e 0 506 483 502 290 119.051 7.261 8.360 1 U 1.15e+006 0 e 0 506 494 502 291 119.055 4.456 8.359 1 U 3.94e+006 0 e 0 506 503 502 292 119.060 2.877 8.360 1 U 3.37e+005 0 e 0 506 504 502 293 119.063 2.741 8.358 1 U 3.41e+005 0 e 0 506 505 502 294 119.061 1.259 8.360 1 U 2.08e+005 0 e 0 506 498 502 295 119.074 0.999 8.357 1 U 2.13e+005 0 e 0 506 61 502 296 119.223 7.853 7.852 1 U 5.48e+007 0 e 0 621 618 618 297 119.279 6.867 6.867 1 U 1.11e+007 0 e 0 441 439 439 298 119.285 7.578 6.867 1 U 1.13e+006 0 e 0 441 448 439 299 119.297 7.937 6.868 1 U 7.03e+005 0 e 0 441 428 439 300 119.281 4.588 6.867 1 U 1.1e+006 0 e 0 441 440 439 301 119.289 3.930 6.869 1 U 3.06e+005 0 e 0 0 0 0 302 119.279 2.802 6.867 1 U 1.58e+006 0 e 0 441 442 439 303 119.284 0.871 6.867 1 U 7.92e+005 0 e 0 0 0 0 304 119.301 1.702 6.866 1 U 3.73e+005 0 e 0 441 430 439 305 119.301 1.446 6.866 1 U 1.6e+005 0 e 0 0 0 0 306 119.702 8.315 8.312 1 U 9.2e+005 0 e 0 679 677 677 307 119.715 4.149 8.312 1 U 3.36e+005 0 e 0 679 662 677 308 119.951 8.581 8.580 1 U 1.11e+007 0 e 0 569 565 565 309 119.949 4.738 8.580 1 U 2.62e+006 0 e 0 569 553 565 310 119.960 5.136 8.587 1 U 4.35e+005 0 e 0 569 566 565 311 119.939 2.263 8.579 1 U 5.08e+005 0 e 0 569 567 565 312 119.954 2.073 8.580 1 U 2.56e+005 0 e 0 569 568 565 313 119.953 1.777 8.580 1 U 1.69e+006 0 e 0 569 570 565 314 119.957 1.587 8.579 1 U 2.06e+005 0 e 0 569 555 565 315 120.090 7.727 7.727 1 U 2.55e+007 0 e 0 332 330 330 316 120.096 7.960 7.727 1 U 1.94e+006 0 e 0 332 337 330 317 120.107 8.815 7.727 1 U 1.29e+006 0 e 0 332 317 330 318 120.098 3.876 7.727 1 U 5.84e+005 0 e 0 332 318 330 319 120.092 4.172 7.727 1 U 2.08e+006 0 e 0 332 331 330 320 120.100 1.919 7.727 1 U 2.37e+006 0 e 0 332 326 330 321 120.094 1.550 7.727 1 U 4.15e+006 0 e 0 332 333 330 322 120.107 7.444 7.444 1 U 1.75e+007 0 e 0 170 165 165 323 120.106 8.238 7.444 1 U 1.27e+006 0 e 0 170 156 165 324 120.117 8.505 7.445 1 U 1.75e+006 0 e 0 170 176 165 325 120.110 4.146 7.443 1 U 4.46e+005 0 e 0 170 157 165 326 120.107 4.016 7.444 1 U 9.53e+005 0 e 0 170 166 165 327 120.104 3.445 7.445 1 U 3.93e+005 0 e 0 170 141 165 328 120.103 0.866 7.445 1 U 3.72e+005 0 e 0 170 172 165 329 120.110 0.692 7.444 1 U 3.27e+005 0 e 0 170 171 165 330 120.101 1.312 7.444 1 U 1.59e+006 0 e 0 170 159 165 331 120.106 1.149 7.444 1 U 1.69e+006 0 e 0 170 168 165 332 120.102 1.798 7.444 1 U 1.94e+006 0 e 0 170 167 165 333 119.970 8.439 8.439 1 U 3.15e+007 0 e 0 611 609 609 334 119.971 7.854 8.438 1 U 7.3e+005 0 e 0 611 618 609 335 119.969 4.520 8.439 1 U 1.33e+006 0 e 0 611 610 609 336 119.968 4.325 8.439 1 U 3.9e+006 0 e 0 611 599 609 337 119.968 2.594 8.439 1 U 2.16e+006 0 e 0 611 612 609 338 119.974 2.222 8.440 1 U 4.15e+005 0 e 0 611 600 609 339 119.962 1.882 8.440 1 U 7.69e+005 0 e 0 611 601 609 340 119.973 1.709 8.441 1 U 1.71e+005 0 e 0 611 589 609 341 120.221 8.183 8.184 1 U 2.4e+007 0 e 0 106 98 98 342 120.214 7.890 8.183 1 U 1.65e+006 0 e 0 106 86 98 343 120.215 7.692 8.184 1 U 1.5e+006 0 e 0 106 113 98 344 120.205 4.127 8.184 1 U 2.25e+006 0 e 0 106 99 98 345 120.205 4.127 8.184 1 U 2.25e+006 0 e 0 0 0 0 346 120.188 3.667 8.185 1 U 1.87e+005 0 e 0 106 55 98 347 120.204 2.814 8.184 1 U 1.4e+006 0 e 0 106 92 98 348 120.266 1.531 8.186 1 U 4.54e+005 0 e 0 0 0 0 349 120.586 8.201 8.199 1 U 5.41e+007 0 e 0 655 651 651 350 120.588 4.250 8.199 1 U 3.14e+006 0 e 0 655 652 651 351 120.578 1.578 8.199 1 U 2.53e+006 0 e 0 655 653 651 352 120.575 1.357 8.198 1 U 6.78e+005 0 e 0 655 645 651 353 120.630 0.832 8.202 1 U 2.01e+005 0 e 0 0 0 0 354 120.623 7.695 7.696 1 U 3.26e+007 0 e 0 192 190 190 355 120.623 4.129 7.695 1 U 2.92e+006 0 e 0 192 191 190 356 120.623 3.992 7.695 1 U 6.48e+005 0 e 0 192 166 190 357 120.587 3.557 7.698 1 U 1.5e+005 0 e 0 192 177 190 358 120.603 1.727 7.695 1 U 1.9e+005 0 e 0 192 202 190 359 120.621 1.433 7.696 1 U 7.11e+006 0 e 0 192 193 190 360 120.623 0.267 7.698 1 U 1.97e+005 0 e 0 192 119 190 361 120.623 0.690 7.696 1 U 1.67e+005 0 e 0 192 171 190 362 120.627 0.994 7.696 1 U 1.19e+005 0 e 0 192 205 190 363 120.621 1.288 7.696 1 U 3.22e+005 0 e 0 192 179 190 364 120.624 8.503 7.694 1 U 2.04e+005 0 e 0 192 176 190 365 120.797 8.208 8.209 1 U 5.88e+007 0 e 0 665 661 661 366 120.763 4.249 8.206 1 U 3.18e+006 0 e 0 0 0 0 367 120.578 1.578 8.199 1 U 2.53e+006 0 e 0 0 0 0 368 120.922 1.842 8.210 1 U 2.01e+006 0 e 0 665 666 661 369 121.217 8.998 9.002 1 U 2.74e+006 0 e 0 243 237 237 370 121.210 4.720 9.002 1 U 1.27e+006 0 e 0 243 227 237 371 121.191 3.488 9.001 1 U 3.15e+005 0 e 0 243 238 237 372 121.195 2.899 9.001 1 U 3.84e+005 0 e 0 243 228 237 373 121.224 2.349 9.001 1 U 3.82e+005 0 e 0 243 241 237 374 121.200 1.941 9.002 1 U 7.41e+005 0 e 0 243 245 237 375 121.219 1.286 9.001 1 U 1.42e+005 0 e 0 243 179 237 376 121.413 8.946 8.945 1 U 1.42e+007 0 e 0 311 301 301 377 121.411 7.739 8.945 1 U 1.24e+006 0 e 0 311 284 301 378 121.414 7.035 8.945 1 U 1.3e+006 0 e 0 311 305 301 379 121.408 3.360 8.946 1 U 1.1e+006 0 e 0 311 303 301 380 121.416 2.295 8.945 1 U 1.47e+006 0 e 0 311 292 301 381 121.403 2.734 8.947 1 U 3.71e+005 0 e 0 311 267 301 382 121.359 8.506 8.506 1 U 2.84e+007 0 e 0 178 176 176 383 121.361 7.892 8.506 1 U 1.65e+006 0 e 0 178 183 176 384 121.358 7.445 8.506 1 U 2.41e+006 0 e 0 178 165 176 385 121.358 7.699 8.507 1 U 2.17e+005 0 e 0 178 190 176 386 121.361 4.017 8.506 1 U 5.32e+005 0 e 0 178 166 176 387 121.357 3.841 8.506 1 U 8e+005 0 e 0 178 150 176 388 121.359 3.556 8.506 1 U 1.85e+006 0 e 0 178 177 176 389 121.362 1.796 8.506 1 U 1.5e+006 0 e 0 178 167 176 390 121.356 1.466 8.506 1 U 6.38e+005 0 e 0 0 0 0 391 121.361 1.294 8.506 1 U 4.64e+006 0 e 0 178 179 176 392 121.359 1.131 8.507 1 U 9.43e+005 0 e 0 0 0 0 393 121.365 0.883 8.506 1 U 1.01e+006 0 e 0 178 270 176 394 121.364 0.714 8.506 1 U 4.28e+005 0 e 0 178 273 176 395 121.381 0.538 8.506 1 U 1.84e+005 0 e 0 178 222 176 396 121.351 0.093 8.506 1 U 4.32e+005 0 e 0 178 272 176 397 121.536 9.628 9.627 1 U 3.89e+006 0 e 0 421 417 417 398 121.546 7.929 9.624 1 U 6.43e+005 0 e 0 421 403 417 399 121.542 4.330 9.626 1 U 2.65e+005 0 e 0 421 418 417 400 121.852 8.871 8.870 1 U 1.17e+007 0 e 0 143 140 140 401 121.856 8.408 8.871 1 U 9.76e+005 0 e 0 143 149 140 402 121.854 4.523 8.870 1 U 3.36e+006 0 e 0 143 131 140 403 121.859 4.240 8.871 1 U 8.63e+005 0 e 0 143 132 140 404 121.854 4.088 8.871 1 U 1.55e+006 0 e 0 143 133 140 405 121.861 3.825 8.870 1 U 1.66e+005 0 e 0 143 150 140 406 121.843 3.447 8.870 1 U 9.09e+005 0 e 0 143 141 140 407 121.855 2.008 8.870 1 U 2.34e+006 0 e 0 143 142 140 408 121.855 0.987 8.870 1 U 1.87e+006 0 e 0 143 145 140 409 121.843 0.811 8.870 1 U 5.27e+005 0 e 0 143 144 140 410 121.860 0.605 8.870 1 U 5.06e+005 0 e 0 143 82 140 411 121.987 8.123 8.123 1 U 1.85e+007 0 e 0 391 389 389 412 121.979 4.078 8.123 1 U 3.89e+006 0 e 0 391 379 389 413 121.968 3.931 8.123 1 U 1.13e+006 0 e 0 391 390 389 414 121.985 2.233 8.123 1 U 7.6e+005 0 e 0 391 380 389 415 121.988 1.821 8.121 1 U 2.17e+005 0 e 0 0 0 0 416 121.979 1.249 8.123 1 U 3.17e+006 0 e 0 391 392 389 417 121.941 0.706 8.123 1 U 2.26e+005 0 e 0 391 582 389 418 121.951 8.699 8.123 1 U 2.25e+005 0 e 0 391 395 389 419 122.395 8.369 8.369 1 U 2.36e+007 0 e 0 591 586 586 420 122.402 4.516 8.368 1 U 1.03e+006 0 e 0 591 587 586 421 122.397 4.232 8.369 1 U 5.05e+006 0 e 0 591 577 586 422 122.394 0.729 8.368 1 U 8.16e+005 0 e 0 591 583 586 423 122.399 1.707 8.369 1 U 2.73e+006 0 e 0 591 589 586 424 122.400 1.854 8.369 1 U 8.72e+005 0 e 0 591 588 586 425 122.400 1.468 8.369 1 U 1.11e+006 0 e 0 591 578 586 426 122.577 5.133 8.243 1 U 3.17e+006 0 e 0 581 566 576 427 122.739 8.252 8.251 1 U 4.24e+007 0 e 0 581 576 576 428 122.571 4.234 8.243 1 U 9.51e+005 0 e 0 581 577 576 429 122.565 1.785 8.243 1 U 1.44e+006 0 e 0 581 570 576 430 122.572 1.372 8.243 1 U 1.94e+006 0 e 0 581 579 576 431 122.564 1.260 8.243 1 U 1.55e+006 0 e 0 581 392 576 432 122.774 7.855 8.251 1 U 9.74e+005 0 e 0 632 618 628 433 122.739 8.252 8.251 1 U 4.24e+007 0 e 0 632 628 628 434 122.780 7.227 8.251 1 U 3.92e+005 0 e 0 632 633 628 435 122.787 4.548 8.250 1 U 1.16e+006 0 e 0 632 629 628 436 122.778 4.006 8.251 1 U 2.63e+006 0 e 0 632 619 628 437 122.777 2.986 8.251 1 U 1.48e+006 0 e 0 632 631 628 438 122.789 3.151 8.251 1 U 7.65e+005 0 e 0 632 630 628 439 122.784 1.948 8.250 1 U 5.06e+005 0 e 0 632 620 628 440 123.322 7.740 7.740 1 U 2.44e+007 0 e 0 290 284 284 441 123.330 8.945 7.740 1 U 1.6e+006 0 e 0 290 301 284 442 123.317 4.186 7.740 1 U 1.5e+006 0 e 0 290 285 284 443 123.322 3.861 7.739 1 U 2.39e+006 0 e 0 290 277 284 444 123.325 2.579 7.740 1 U 9.01e+005 0 e 0 290 288 284 445 123.325 2.297 7.740 1 U 4.47e+006 0 e 0 290 292 284 446 123.312 1.918 7.740 1 U 2.42e+005 0 e 0 290 326 284 447 123.298 1.112 7.739 1 U 1.51e+005 0 e 0 290 259 284 448 123.592 8.101 8.100 1 U 4.17e+007 0 e 0 644 642 642 449 123.561 4.537 8.101 1 U 1.99e+005 0 e 0 0 0 0 450 123.587 4.251 8.101 1 U 8.09e+005 0 e 0 0 0 0 451 123.586 3.853 8.099 1 U 1.98e+006 0 e 0 644 638 642 452 123.590 1.352 8.100 1 U 2.09e+006 0 e 0 644 645 642 453 124.238 7.952 7.952 1 U 2.13e+007 0 e 0 67 65 65 454 124.241 8.465 7.952 1 U 1.2e+006 0 e 0 67 75 65 455 124.242 4.179 7.952 1 U 1.24e+006 0 e 0 67 66 65 456 124.240 1.906 7.952 1 U 1.57e+006 0 e 0 67 56 65 457 124.240 1.547 7.952 1 U 3.1e+006 0 e 0 67 68 65 458 124.242 0.985 7.952 1 U 6e+005 0 e 0 67 61 65 459 124.234 0.866 7.950 1 U 4.56e+005 0 e 0 0 0 0 460 124.431 8.238 8.238 1 U 3.19e+007 0 e 0 158 156 156 461 124.407 8.858 8.239 1 U 1.69e+005 0 e 0 158 140 156 462 124.432 7.443 8.238 1 U 1.95e+006 0 e 0 158 165 156 463 124.426 7.094 8.238 1 U 2.41e+005 0 e 0 158 130 156 464 124.429 4.518 8.238 1 U 1.77e+005 0 e 0 158 131 156 465 124.426 4.144 8.238 1 U 2.32e+006 0 e 0 158 157 156 466 124.424 3.456 8.238 1 U 1.6e+005 0 e 0 158 141 156 467 124.427 1.314 8.238 1 U 4.68e+006 0 e 0 158 159 156 468 125.147 7.299 7.299 1 U 2.4e+007 0 e 0 258 256 256 469 125.157 8.497 7.299 1 U 6.53e+005 0 e 0 258 249 256 470 125.152 6.356 7.300 1 U 1.7e+006 0 e 0 258 266 256 471 125.147 3.878 7.299 1 U 1.61e+006 0 e 0 258 257 256 472 125.127 3.489 7.299 1 U 2.01e+005 0 e 0 258 238 256 473 125.123 2.803 7.299 1 U 3.96e+005 0 e 0 258 229 256 474 125.148 1.115 7.299 1 U 3.61e+006 0 e 0 258 259 256 475 125.143 1.934 7.299 1 U 2.62e+005 0 e 0 0 0 0 476 125.397 8.210 8.210 1 U 1.34e+007 0 e 0 674 670 670 477 125.379 4.589 8.209 1 U 6.32e+005 0 e 0 674 440 670 478 125.380 3.071 8.210 1 U 3.05e+005 0 e 0 0 0 0 479 126.144 8.686 8.686 1 U 2.11e+007 0 e 0 538 536 536 480 126.119 7.252 8.686 1 U 1.75e+005 0 e 0 538 527 536 481 126.144 4.267 8.686 1 U 5.01e+006 0 e 0 538 528 536 482 126.146 4.131 8.687 1 U 1.09e+006 0 e 0 538 537 536 483 126.125 2.196 8.686 1 U 4.85e+005 0 e 0 538 540 536 484 126.144 1.914 8.686 1 U 3.7e+006 0 e 0 538 539 536 485 126.152 0.872 8.686 1 U 1.22e+006 0 e 0 538 532 536 486 126.496 9.082 9.080 1 U 1.16e+007 0 e 0 548 544 544 487 126.482 4.408 9.079 1 U 5.63e+005 0 e 0 0 0 0 488 126.493 4.130 9.080 1 U 3.06e+006 0 e 0 548 537 544 489 126.495 3.145 9.080 1 U 1.09e+006 0 e 0 548 546 544 490 126.493 2.683 9.080 1 U 7.95e+005 0 e 0 548 547 544 491 126.508 2.197 9.080 1 U 2.46e+005 0 e 0 548 540 544 492 126.489 1.919 9.079 1 U 5.41e+005 0 e 0 548 539 544 493 126.479 1.304 9.077 1 U 1.64e+005 0 e 0 548 26 544 494 129.255 10.441 10.440 1 U 2.37e+007 0 e 0 312 306 306 495 129.254 7.036 10.440 1 U 2.83e+006 0 e 0 312 305 306 496 129.255 7.485 10.440 1 U 1.37e+006 0 e 0 312 309 306 497 129.261 3.909 10.440 1 U 2.82e+005 0 e 0 312 257 306 498 129.256 1.871 10.441 1 U 5.99e+005 0 e 0 312 384 306 499 129.260 1.641 10.440 1 U 6.03e+005 0 e 0 312 385 306 500 129.254 1.425 10.441 1 U 4.98e+005 0 e 0 312 381 306 501 129.250 1.118 10.440 1 U 9.7e+005 0 e 0 312 259 306 502 130.111 9.116 9.114 1 U 6.36e+006 0 e 0 559 552 552 503 130.105 4.407 9.113 1 U 1.77e+006 0 e 0 559 545 552 504 130.126 1.841 9.116 1 U 4.75e+005 0 e 0 559 554 552 505 130.097 1.599 9.117 1 U 2.51e+005 0 e 0 559 557 552 506 130.093 1.310 9.116 1 U 1.81e+005 0 e 0 559 26 552 507 130.126 3.152 9.121 1 U 1.42e+005 0 e 0 559 561 552 508 119.381 8.075 7.851 1 U 3.13e+006 0 e 0 48 33 44 509 118.476 7.939 7.774 1 U 1.55e+006 0 e 0 59 65 54 510 114.359 8.237 8.410 1 U 1.5e+006 0 e 0 151 156 149 511 114.375 4.521 8.409 1 U 5.07e+005 0 e 0 151 131 149 512 124.426 8.413 8.238 1 U 2e+006 0 e 0 158 149 156 513 118.229 7.704 7.893 1 U 2.59e+006 0 e 0 185 190 183 514 115.431 8.008 7.838 1 U 2.05e+006 0 e 0 204 209 199 515 115.437 7.690 7.837 1 U 1.59e+006 0 e 0 204 190 199 516 113.394 7.736 7.909 1 U 2.06e+006 0 e 0 278 284 276 517 123.327 7.912 7.740 1 U 2.08e+006 0 e 0 290 276 284 518 117.714 8.969 8.816 1 U 9.55e+005 0 e 0 324 301 317 519 126.168 9.077 8.685 1 U 2.09e+005 0 e 0 538 544 536 520 122.595 8.070 8.244 1 U 6.75e+005 0 e 0 581 369 576 521 114.589 0.873 8.079 1 U 1.76e+006 0 e 0 38 39 33 522 119.160 4.521 7.852 1 U 3.7e+006 0 e 0 621 610 618 523 119.168 8.252 7.852 1 U 1.08e+006 0 e 0 621 628 618 524 119.175 8.441 7.852 1 U 9.92e+005 0 e 0 621 609 618 525 118.917 0.865 8.915 1 U 7.52e+005 0 e 0 0 0 0 526 109.972 4.573 7.853 1 U 2.92e+005 0 e 0 413 404 409 527 109.968 3.380 7.851 1 U 3.09e+005 0 e 0 413 407 409 528 109.948 2.967 7.852 1 U 5.25e+005 0 e 0 413 408 409 529 109.948 6.873 7.850 1 U 2.85e+005 0 e 0 413 439 409 530 109.917 1.692 7.851 1 U 1.56e+005 0 e 0 413 405 409 531 109.963 1.317 7.851 1 U 3.18e+005 0 e 0 413 410 409 532 111.772 3.084 8.012 1 U 4.21e+005 0 e 0 325 319 321 533 111.762 2.880 8.011 1 U 4.07e+005 0 e 0 325 320 321 534 111.787 1.917 8.013 1 U 3.48e+005 0 e 0 325 326 321 535 111.760 1.760 8.012 1 U 3.46e+005 0 e 0 325 322 321 536 111.781 0.693 8.013 1 U 1.73e+005 0 e 0 325 81 321 537 112.196 2.085 7.563 1 U 3.69e+005 0 e 0 244 242 239 538 112.173 1.940 7.563 1 U 1.41e+005 0 e 0 244 245 239 539 112.220 2.351 7.563 1 U 9.4e+005 0 e 0 244 241 239 540 112.215 3.836 7.564 1 U 5.14e+005 0 e 0 244 150 239 541 112.212 6.934 7.564 1 U 1.2e+007 0 e 0 244 240 239 542 112.231 3.830 6.935 1 U 4.95e+005 0 e 0 244 150 240 543 112.226 2.353 6.935 1 U 4.38e+005 0 e 0 244 241 240 544 112.206 2.079 6.934 1 U 1.96e+005 0 e 0 244 242 240 545 112.398 1.793 7.248 1 U 5.75e+004 0 e 0 347 345 343 546 121.430 4.190 8.945 1 U 3.37e+005 0 e 0 311 285 301 547 121.438 3.887 8.946 1 U 3.29e+005 0 e 0 311 257 301 548 121.393 1.923 8.946 1 U 2.08e+005 0 e 0 311 326 301 549 121.413 8.809 8.947 1 U 1.14e+006 0 e 0 311 317 301 550 121.408 3.301 8.946 1 U 8.61e+005 0 e 0 311 304 301 551 108.960 8.428 7.096 1 U 1.7e+006 0 e 0 134 123 130 552 108.959 7.693 7.096 1 U 2.5e+005 0 e 0 134 113 130 553 108.951 4.397 7.095 1 U 7.75e+005 0 e 0 134 124 130 554 122.005 1.647 8.123 1 U 1.26e+005 0 e 0 391 385 389 555 116.335 2.971 8.056 1 U 6.05e+005 0 e 0 19 15 16 556 116.306 3.637 8.056 1 U 1.87e+005 0 e 0 19 352 16 557 116.362 4.192 8.057 1 U 1.5e+005 0 e 0 19 351 16 558 116.343 7.256 8.056 1 U 3.07e+006 0 e 0 19 17 16 559 116.346 4.180 7.259 1 U 1.57e+005 0 e 0 19 331 17 560 116.303 3.859 7.259 1 U 2.03e+005 0 e 0 19 318 17 561 116.321 2.977 7.259 1 U 3.9e+005 0 e 0 19 15 17 562 116.348 8.057 7.258 1 U 3.42e+006 0 e 0 19 16 17 563 116.356 3.632 7.257 1 U 1.99e+005 0 e 0 19 352 17 564 113.260 8.499 7.685 1 U 2.22e+005 0 e 0 0 0 0 565 113.267 2.912 7.684 1 U 3.42e+005 0 e 0 233 228 230 566 113.267 2.812 7.684 1 U 3.44e+005 0 e 0 233 229 230 567 113.289 2.897 6.949 1 U 2.73e+005 0 e 0 233 228 231 568 113.289 2.806 6.949 1 U 2.82e+005 0 e 0 233 229 231 569 113.269 7.683 6.948 1 U 7.86e+006 0 e 0 233 230 231 570 113.273 6.948 7.684 1 U 5.93e+006 0 e 0 233 231 230 571 111.701 2.584 7.457 1 U 5.43e+005 0 e 0 291 288 286 572 111.705 2.326 7.458 1 U 2.31e+005 0 e 0 291 289 286 573 111.839 2.821 7.576 1 U 6e+005 0 e 0 91 92 88 574 111.801 3.673 7.575 1 U 2.34e+005 0 e 0 91 55 88 575 111.829 2.818 6.867 1 U 3.11e+005 0 e 0 91 92 89 576 111.841 7.575 6.867 1 U 1.34e+007 0 e 0 91 88 89 577 111.844 6.866 7.576 1 U 1.3e+007 0 e 0 91 89 88 578 111.701 2.579 6.905 1 U 2.7e+005 0 e 0 291 288 287 579 111.710 2.323 6.905 1 U 1.5e+005 0 e 0 291 292 287 580 111.698 6.905 7.458 1 U 1.41e+007 0 e 0 291 287 286 581 111.700 7.458 6.905 1 U 1.32e+007 0 e 0 291 286 287 582 112.216 7.564 6.935 1 U 1.18e+007 0 e 0 244 239 240 583 121.326 8.227 8.506 1 U 2.36e+005 0 e 0 178 156 176 584 107.659 1.528 8.462 1 U 1.42e+005 0 e 0 353 323 350 585 111.201 9.627 8.701 1 U 1.47e+005 0 e 0 398 417 395 586 113.389 3.948 7.909 1 U 2.45e+006 0 e 0 278 279 276 587 113.322 2.307 7.909 1 U 1.9e+005 0 e 0 278 292 276 588 113.845 3.948 8.035 1 U 3.58e+005 0 e 0 372 370 369 589 113.856 0.598 8.035 1 U 1.08e+006 0 e 0 372 374 369 590 111.766 1.532 8.014 1 U 3.9e+005 0 e 0 325 323 321 591 123.605 8.276 8.100 1 U 1.18e+006 0 e 0 644 636 642 592 122.446 3.186 8.372 1 U 1.32e+005 0 e 0 591 593 586 593 122.388 3.732 8.369 1 U 1.16e+005 0 e 0 591 602 586 594 117.112 4.127 7.689 1 U 3.62e+005 0 e 0 0 0 0 595 115.218 3.635 7.962 1 U 1.37e+005 0 e 0 346 352 337 596 106.046 2.744 8.390 1 U 1.82e+005 0 e 0 512 505 509 597 119.160 4.006 7.853 1 U 1.22e+006 0 e 0 621 619 618 598 119.384 2.966 7.851 1 U 2.21e+006 0 e 0 48 46 44 599 119.290 2.617 7.852 1 U 1.65e+006 0 e 0 48 47 44 600 119.386 3.609 7.851 1 U 4.32e+005 0 e 0 48 34 44 601 119.383 4.164 7.851 1 U 1.39e+006 0 e 0 48 45 44 602 119.164 0.747 7.852 1 U 2.24e+006 0 e 0 621 623 618 603 119.358 1.312 7.851 1 U 4.24e+005 0 e 0 0 0 0 604 119.340 1.530 7.851 1 U 3.2e+005 0 e 0 0 0 0 605 119.392 0.904 7.851 1 U 6.71e+005 0 e 0 0 0 0 606 117.681 1.764 8.815 1 U 2.53e+005 0 e 0 0 0 0 607 108.394 4.108 8.427 1 U 1.43e+005 0 e 0 126 99 123 608 108.392 1.435 8.427 1 U 3.38e+005 0 e 0 126 116 123 609 110.175 1.729 8.008 1 U 4.72e+005 0 e 0 210 201 209 610 110.175 1.729 8.008 1 U 4.72e+005 0 e 0 210 202 209 611 110.184 7.829 8.007 1 U 2.27e+006 0 e 0 210 199 209 612 110.184 7.693 8.008 1 U 2.98e+005 0 e 0 210 190 209 613 111.228 8.129 8.699 1 U 1.37e+005 0 e 0 398 389 395 614 114.401 8.998 8.496 1 U 1.34e+005 0 e 0 251 237 249 615 114.457 2.962 7.928 1 U 1.37e+005 0 e 0 412 408 403 616 116.887 7.987 7.393 1 U 3e+005 0 e 0 363 337 357 617 106.018 2.860 8.387 1 U 1.07e+005 0 e 0 512 504 509 618 125.123 2.894 7.299 1 U 2.92e+005 0 e 0 258 228 256 619 124.240 7.778 7.951 1 U 1.64e+006 0 e 0 67 54 65 620 122.559 2.056 8.243 1 U 2.33e+005 0 e 0 581 568 576 621 122.552 2.255 8.244 1 U 1.35e+005 0 e 0 581 567 576 622 121.865 7.095 8.872 1 U 1.38e+005 0 e 0 143 130 140 623 121.524 3.037 9.625 1 U 5.16e+005 0 e 0 421 419 417 624 121.524 2.969 9.624 1 U 3.71e+005 0 e 0 421 420 417 625 120.097 1.464 7.445 1 U 3.77e+005 0 e 0 170 169 165 626 120.119 3.838 7.446 1 U 1.74e+005 0 e 0 170 150 165 627 120.079 7.894 7.443 1 U 1.53e+005 0 e 0 170 183 165 628 120.104 7.080 7.446 1 U 1.72e+005 0 e 0 170 130 165 629 120.622 7.869 7.695 1 U 4.29e+006 0 e 0 192 183 190 630 117.806 7.955 8.463 1 U 1.49e+006 0 e 0 80 65 75 631 117.806 7.874 8.463 1 U 1.67e+006 0 e 0 80 86 75 632 117.806 7.783 8.463 1 U 2.23e+005 0 e 0 80 54 75 633 113.393 0.721 7.910 1 U 7.52e+005 0 e 0 278 273 276 634 113.393 0.871 7.907 1 U 4.22e+005 0 e 0 278 270 276 635 113.393 0.803 7.908 1 U 6.93e+005 0 e 0 278 144 276 636 115.123 1.253 7.994 1 U 2.31e+005 0 e 0 487 498 483 637 115.123 1.190 7.993 1 U 3.02e+005 0 e 0 487 472 483 638 117.119 2.113 7.689 1 U 5.97e+005 0 e 0 118 101 113 639 117.808 1.815 8.465 1 U 3.28e+006 0 e 0 80 77 75 640 117.808 1.905 8.465 1 U 2.38e+006 0 e 0 80 78 75 641 117.804 8.175 8.465 1 U 1.86e+005 0 e 0 80 98 75 642 119.730 2.983 8.313 1 U 1.71e+005 0 e 0 679 680 677 643 129.237 2.271 10.442 1 U 1.78e+005 0 e 0 312 380 306 644 117.908 2.949 7.937 1 U 3.36e+005 0 e 0 433 420 428 645 120.098 3.876 7.727 1 U 5.84e+005 0 e 0 0 0 0 646 118.106 0.866 7.577 1 U 6.49e+005 0 e 0 453 455 448 647 123.322 3.947 7.739 1 U 9.66e+005 0 e 0 290 279 284 648 123.330 8.813 7.739 1 U 2.16e+005 0 e 0 290 317 284 649 123.314 6.361 7.739 1 U 1.33e+005 0 e 0 290 266 284 650 123.372 7.037 7.740 1 U 1.21e+005 0 e 0 290 305 284 651 123.301 7.321 7.739 1 U 1.28e+005 0 e 0 290 256 284 652 124.413 1.797 8.237 1 U 1.15e+005 0 e 0 158 167 156 653 117.724 3.280 8.813 1 U 6.6e+005 0 e 0 324 304 317 654 120.203 2.120 8.184 1 U 3.34e+006 0 e 0 106 101 98 655 120.203 2.211 8.183 1 U 2.58e+006 0 e 0 106 100 98 656 111.419 1.753 7.926 1 U 3.41e+005 0 e 0 220 201 217 657 111.463 1.704 7.939 1 U 2.68e+005 0 e 0 220 202 217 658 115.193 1.835 7.961 1 U 1.25e+006 0 e 0 346 345 337 659 115.193 1.835 7.961 1 U 1.25e+006 0 e 0 346 344 337 660 115.199 2.069 7.962 1 U 2.42e+006 0 e 0 346 340 337 661 115.199 2.069 7.962 1 U 2.42e+006 0 e 0 346 339 337 662 107.663 1.834 8.461 1 U 3.02e+005 0 e 0 353 345 350 663 107.663 1.834 8.461 1 U 3.02e+005 0 e 0 353 344 350 664 107.681 2.030 8.459 1 U 5.6e+005 0 e 0 353 340 350 665 107.681 2.066 8.459 1 U 5.51e+005 0 e 0 353 339 350 666 116.889 1.818 7.393 1 U 7.89e+005 0 e 0 363 344 357 667 116.889 1.818 7.393 1 U 7.89e+005 0 e 0 363 345 357 668 116.897 2.053 7.394 1 U 6.27e+005 0 e 0 363 340 357 669 116.897 2.053 7.394 1 U 6.27e+005 0 e 0 363 339 357 670 120.891 2.127 8.211 1 U 3.95e+005 0 e 0 665 663 661 671 120.891 2.127 8.211 1 U 3.95e+005 0 e 0 665 664 661 672 115.434 1.017 7.838 1 U 7.2e+005 0 e 0 204 206 199 673 115.434 0.994 7.839 1 U 7.2e+005 0 e 0 204 205 199 674 116.335 3.071 8.057 1 U 3.59e+005 0 e 0 19 14 16 675 116.298 3.049 7.258 1 U 2.65e+005 0 e 0 19 14 17 676 118.864 2.971 8.915 1 U 1.03e+006 0 e 0 25 15 23 677 114.599 3.053 8.081 1 U 2.34e+005 0 e 0 38 14 33 678 114.599 2.971 8.079 1 U 2.44e+005 0 e 0 38 15 33 679 114.599 0.947 8.079 1 U 5.65e+005 0 e 0 38 40 33 680 117.499 1.895 7.888 1 U 3.64e+005 0 e 0 0 0 0 681 117.499 0.684 7.889 1 U 3.43e+005 0 e 0 0 0 0 682 120.226 8.451 8.184 1 U 5.07e+005 0 e 0 106 75 98 683 120.227 0.994 8.185 1 U 1.3e+005 0 e 0 106 61 98 684 120.188 1.763 8.185 1 U 5e+005 0 e 0 0 0 0 685 111.437 8.168 7.926 1 U 3.23e+005 0 e 0 220 226 217 686 117.079 2.821 8.155 1 U 1.06e+006 0 e 0 232 229 226 687 121.191 2.821 9.001 1 U 2.59e+005 0 e 0 243 229 237 688 120.094 2.068 7.725 1 U 1.87e+005 0 e 0 332 339 330 689 120.094 1.755 7.728 1 U 3.36e+005 0 e 0 332 322 330 690 120.094 8.458 7.728 1 U 1.5e+005 0 e 0 332 350 330 691 121.484 2.077 9.626 1 U 1.3e+005 0 e 0 0 0 0 692 121.492 0.596 9.628 1 U 1.43e+005 0 e 0 0 0 0 693 117.017 1.682 8.639 1 U 1.21e+005 0 e 0 0 0 0 694 122.564 0.607 8.244 1 U 2.04e+005 0 e 0 581 374 576 695 122.783 0.747 8.252 1 U 8.74e+005 0 e 0 0 0 0 696 122.577 0.720 8.244 1 U 8.37e+005 0 e 0 0 0 0 697 119.968 1.959 8.439 1 U 3.74e+005 0 e 0 611 605 609 698 119.968 2.000 8.438 1 U 3.04e+005 0 e 0 611 604 609 699 119.394 7.850 7.850 1 U 3.44e+007 0 e 0 48 44 44 700 124.242 1.270 7.951 1 U 7.56e+005 0 e 0 0 0 0 701 120.221 4.283 8.183 1 U 5.57e+005 0 e 0 0 0 0 702 110.174 7.891 8.007 1 U 3.03e+006 0 e 0 0 0 0 703 121.979 1.402 8.123 1 U 9.04e+005 0 e 0 0 0 0 704 121.351 4.138 8.507 1 U 3.23e+005 0 e 0 0 0 0 705 108.392 1.358 8.426 1 U 2.93e+005 0 e 0 0 0 0 706 124.429 3.830 8.238 1 U 2.04e+006 0 e 0 0 0 0 707 117.887 4.584 7.938 1 U 2.04e+005 0 e 0 0 0 0 708 119.973 3.634 8.439 1 U 2.08e+005 0 e 0 611 603 609 709 122.305 4.094 9.918 1 U 7.1e+004 0 e 0 18 5 12 710 118.945 4.407 8.916 1 U 1.09e+005 0 e 0 25 545 23 711 118.945 7.848 8.916 1 U 7.13e+004 0 e 0 25 44 23 712 118.945 1.907 8.913 1 U 1.34e+005 0 e 0 25 56 23 713 118.945 1.875 8.915 1 U 1.12e+005 0 e 0 25 529 23 714 114.608 5.011 8.079 1 U 8.84e+004 0 e 0 38 13 33 715 114.608 3.863 8.079 1 U 1.06e+005 0 e 0 38 318 33 716 114.608 4.156 8.081 1 U 5.82e+004 0 e 0 38 45 33 717 118.509 8.463 7.773 1 U 1.07e+005 0 e 0 59 75 54 718 124.294 4.423 7.952 1 U 8.27e+004 0 e 0 67 496 65 719 124.294 4.469 7.952 1 U 6.63e+004 0 e 0 67 495 65 720 124.294 3.606 7.952 1 U 6.32e+005 0 e 0 67 34 65 721 124.306 3.672 7.951 1 U 5.36e+005 0 e 0 67 55 65 722 116.314 8.057 8.056 1 U 3.49e+006 0 e 0 19 16 16 723 116.332 7.258 7.258 1 U 4.44e+006 0 e 0 19 17 17 724 111.973 7.570 7.572 1 U 1.81e+007 0 e 0 91 88 88 725 111.840 6.867 6.867 1 U 2.49e+007 0 e 0 91 89 89 726 113.265 7.683 7.684 1 U 7.02e+006 0 e 0 233 230 230 727 113.260 6.948 6.948 1 U 2.15e+007 0 e 0 233 231 231 728 121.195 8.500 9.003 1 U 1.01e+005 0 e 0 243 249 237 729 121.242 8.147 9.005 1 U 4.75e+004 0 e 0 243 226 237 730 112.258 7.562 7.562 1 U 2.22e+007 0 e 0 244 239 239 731 112.225 6.934 6.935 1 U 3.12e+007 0 e 0 244 240 240 732 117.099 7.303 8.157 1 U 1.35e+005 0 e 0 232 256 226 733 117.099 6.931 8.157 1 U 7.79e+004 0 e 0 232 240 226 734 117.099 8.991 8.158 1 U 9.04e+004 0 e 0 232 237 226 735 117.134 7.094 7.690 1 U 1.4e+005 0 e 0 118 130 113 736 125.188 8.156 7.299 1 U 1.57e+005 0 e 0 258 226 256 737 125.188 7.902 7.298 1 U 1.92e+005 0 e 0 258 276 256 738 111.696 7.457 7.458 1 U 2.82e+007 0 e 0 291 286 286 739 111.702 6.904 6.905 1 U 2.98e+007 0 e 0 291 287 287 740 121.454 10.435 8.943 1 U 6.88e+004 0 e 0 311 306 301 741 129.273 8.941 10.439 1 U 9.91e+004 0 e 0 312 301 306 742 117.747 7.187 8.815 1 U 7.77e+004 0 e 0 324 307 317 743 117.671 7.036 8.812 1 U 7.73e+004 0 e 0 324 305 317 744 117.748 7.957 8.816 1 U 1.34e+005 0 e 0 324 337 317 745 117.748 8.460 8.814 1 U 7.18e+004 0 e 0 324 350 317 746 111.742 8.012 8.013 1 U 4.68e+006 0 e 0 325 321 321 747 111.710 4.164 8.010 1 U 1.18e+005 0 e 0 0 0 0 748 120.129 3.082 7.725 1 U 9.3e+004 0 e 0 332 319 330 749 115.224 8.814 7.965 1 U 1.1e+005 0 e 0 346 317 337 750 112.386 7.254 7.256 1 U 1.16e+005 0 e 0 347 343 343 751 107.702 7.258 8.460 1 U 1.8e+005 0 e 0 353 17 350 752 107.702 7.721 8.460 1 U 1.31e+005 0 e 0 353 330 350 753 113.913 9.114 8.036 1 U 4.68e+004 0 e 0 372 552 369 754 109.944 7.850 7.851 1 U 2.8e+006 0 e 0 413 409 409 755 121.574 8.701 9.624 1 U 4.56e+004 0 e 0 421 395 417 756 119.304 8.646 6.869 1 U 9.16e+004 0 e 0 441 459 439 757 118.083 7.039 7.577 1 U 1.83e+005 0 e 0 0 0 0 758 118.723 7.571 7.012 1 U 1e+005 0 e 0 475 448 470 759 114.261 8.683 7.255 1 U 7.45e+004 0 e 0 530 536 527 760 126.532 8.678 9.077 1 U 1.62e+005 0 e 0 548 536 544 761 130.138 8.596 9.116 1 U 5.57e+004 0 e 0 559 565 552 762 112.512 7.253 7.250 1 U 1.08e+005 0 e 0 560 556 556 763 119.982 9.123 8.581 1 U 8.43e+004 0 e 0 569 552 565 764 119.982 8.242 8.580 1 U 1.53e+005 0 e 0 569 576 565 765 122.620 8.252 8.243 1 U 2.8e+007 0 e 0 581 576 576 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . N 15 N 3 aliased 28 ppm . . . 118.2 . . 30309 3 2 . . H 1 H-aliphatic . aliased 12 ppm . . . 4.802 . . 30309 3 3 . . H 1 HN 1 . 12 ppm . . . 4.802 . . 30309 3 stop_ save_