data_16386 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16386 _Entry.Title ; Solution NMR Structure of the EGF-like 1 Domain of Human Fibulin-4. Northeast Structural Genomics Target HR6275. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-06-30 _Entry.Accession_date 2009-06-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Paolo Rossi . . . 16386 2 Yiwen Chiang . . . 16386 3 Stephen Anderson . . . 16386 4 Gaetano Montelione . T. . 16386 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Northeast Structural Genomics Consortium' . 16386 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16386 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 264 16386 '15N chemical shifts' 67 16386 '1H chemical shifts' 407 16386 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 . . 2010-05-28 2009-06-30 update BMRB 'edit entity/assembly name' 16386 1 . . 2009-08-06 2009-06-30 original author 'original release' 16386 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KL7 'BMRB Entry Tracking System' 16386 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16386 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution NMR Structure of the EGF-like 1 Domain of Human Fibulin-4. Northeast Structural Genomics Target HR6275.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Paolo Rossi . . . 16386 1 2 Yiwen Chiang . . . 16386 1 3 Stephen Anderson . . . 16386 1 4 Gaetano Montelione . T. . 16386 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Atypical EFG like domain 1' 16386 1 'Human Fibulin-4' 16386 1 'Secreted Protein' 16386 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16386 _Assembly.ID 1 _Assembly.Name 'Human Fibulin-4' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'EGF-like 1 Domain' 1 $entity A . yes native no no . . . 16386 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_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_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 6 6 SG . 1 . 1 CYS 69 69 SG . . . . . . . . . . 16386 1 2 disulfide single . 1 . 1 CYS 13 13 SG . 1 . 1 CYS 28 28 SG . . . . . . . . . . 16386 1 3 disulfide single . 1 . 1 CYS 19 19 SG . 1 . 1 CYS 57 57 SG . . . . . . . . . . 16386 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16386 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'EGF-like 1 Domain' _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 ; SDVNECLTIPEACKGEMKCI NHYGGYLCLPRSAAVINDLH GEGPPPPVPPAQHPNPCPPG YEPDDQDSCVD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '54-123 of Human Fibulin-4' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7576.472 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KL7 . "Solution Nmr Structure Of The Egf-Like 1 Domain Of Human Fibulin-4. Northeast Structural Genomics Target Hr6275" . . . . . 100.00 71 100.00 100.00 3.50e-42 . . . . 16386 1 2 no DBJ BAA92880 . "mutant p53 binding protein 1 (MBP1) [Homo sapiens]" . . . . . 98.59 443 100.00 100.00 1.15e-39 . . . . 16386 1 3 no DBJ BAD92358 . "mutant p53 binding protein 1 variant [Homo sapiens]" . . . . . 98.59 620 98.57 100.00 4.08e-39 . . . . 16386 1 4 no DBJ BAF84768 . "unnamed protein product [Homo sapiens]" . . . . . 98.59 443 100.00 100.00 1.26e-39 . . . . 16386 1 5 no DBJ BAG37622 . "unnamed protein product [Homo sapiens]" . . . . . 98.59 443 100.00 100.00 1.14e-39 . . . . 16386 1 6 no DBJ BAG50843 . "unnamed protein product [Homo sapiens]" . . . . . 98.59 443 98.57 98.57 1.10e-38 . . . . 16386 1 7 no EMBL CAA10791 . "fibulin-4 [Homo sapiens]" . . . . . 98.59 443 100.00 100.00 1.15e-39 . . . . 16386 1 8 no EMBL CAG46732 . "EFEMP2 [Homo sapiens]" . . . . . 98.59 443 100.00 100.00 1.19e-39 . . . . 16386 1 9 no GB AAC03101 . "H411 precursor [Cricetulus griseus]" . . . . . 98.59 443 97.14 100.00 5.58e-33 . . . . 16386 1 10 no GB AAF65188 . "EGF-containing fibulin-like extracellular matrix protein 2 [Homo sapiens]" . . . . . 98.59 443 100.00 100.00 1.22e-39 . . . . 16386 1 11 no GB AAG45245 . "fibulin-like extracellular matrix protein [Homo sapiens]" . . . . . 98.59 443 100.00 100.00 9.96e-40 . . . . 16386 1 12 no GB AAH10456 . "EGF-containing fibulin-like extracellular matrix protein 2 [Homo sapiens]" . . . . . 98.59 443 100.00 100.00 1.19e-39 . . . . 16386 1 13 no GB AAQ89258 . "EFEMP2 [Homo sapiens]" . . . . . 98.59 443 100.00 100.00 1.19e-39 . . . . 16386 1 14 no REF NP_001231778 . "EGF-containing fibulin-like extracellular matrix protein 2 precursor [Cricetulus griseus]" . . . . . 98.59 443 97.14 100.00 5.58e-33 . . . . 16386 1 15 no REF NP_058634 . "EGF-containing fibulin-like extracellular matrix protein 2 precursor [Homo sapiens]" . . . . . 98.59 443 100.00 100.00 1.27e-39 . . . . 16386 1 16 no REF XP_001118071 . "PREDICTED: EGF-containing fibulin-like extracellular matrix protein 2, partial [Macaca mulatta]" . . . . . 98.59 479 98.57 100.00 7.21e-39 . . . . 16386 1 17 no REF XP_003274253 . "PREDICTED: EGF-containing fibulin-like extracellular matrix protein 2 [Nomascus leucogenys]" . . . . . 98.59 443 98.57 100.00 3.97e-39 . . . . 16386 1 18 no REF XP_003909598 . "PREDICTED: EGF-containing fibulin-like extracellular matrix protein 2 [Papio anubis]" . . . . . 98.59 576 98.57 100.00 8.93e-39 . . . . 16386 1 19 no SP O55058 . "RecName: Full=EGF-containing fibulin-like extracellular matrix protein 2; AltName: Full=Fibulin-4; Short=FIBL-4; AltName: Full=" . . . . . 98.59 443 97.14 100.00 5.58e-33 . . . . 16386 1 20 no SP O95967 . "RecName: Full=EGF-containing fibulin-like extracellular matrix protein 2; AltName: Full=Fibulin-4; Short=FIBL-4; AltName: Full=" . . . . . 98.59 443 100.00 100.00 1.27e-39 . . . . 16386 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID Secreted 16386 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 16386 1 2 . ASP . 16386 1 3 . VAL . 16386 1 4 . ASN . 16386 1 5 . GLU . 16386 1 6 . CYS . 16386 1 7 . LEU . 16386 1 8 . THR . 16386 1 9 . ILE . 16386 1 10 . PRO . 16386 1 11 . GLU . 16386 1 12 . ALA . 16386 1 13 . CYS . 16386 1 14 . LYS . 16386 1 15 . GLY . 16386 1 16 . GLU . 16386 1 17 . MET . 16386 1 18 . LYS . 16386 1 19 . CYS . 16386 1 20 . ILE . 16386 1 21 . ASN . 16386 1 22 . HIS . 16386 1 23 . TYR . 16386 1 24 . GLY . 16386 1 25 . GLY . 16386 1 26 . TYR . 16386 1 27 . LEU . 16386 1 28 . CYS . 16386 1 29 . LEU . 16386 1 30 . PRO . 16386 1 31 . ARG . 16386 1 32 . SER . 16386 1 33 . ALA . 16386 1 34 . ALA . 16386 1 35 . VAL . 16386 1 36 . ILE . 16386 1 37 . ASN . 16386 1 38 . ASP . 16386 1 39 . LEU . 16386 1 40 . HIS . 16386 1 41 . GLY . 16386 1 42 . GLU . 16386 1 43 . GLY . 16386 1 44 . PRO . 16386 1 45 . PRO . 16386 1 46 . PRO . 16386 1 47 . PRO . 16386 1 48 . VAL . 16386 1 49 . PRO . 16386 1 50 . PRO . 16386 1 51 . ALA . 16386 1 52 . GLN . 16386 1 53 . HIS . 16386 1 54 . PRO . 16386 1 55 . ASN . 16386 1 56 . PRO . 16386 1 57 . CYS . 16386 1 58 . PRO . 16386 1 59 . PRO . 16386 1 60 . GLY . 16386 1 61 . TYR . 16386 1 62 . GLU . 16386 1 63 . PRO . 16386 1 64 . ASP . 16386 1 65 . ASP . 16386 1 66 . GLN . 16386 1 67 . ASP . 16386 1 68 . SER . 16386 1 69 . CYS . 16386 1 70 . VAL . 16386 1 71 . ASP . 16386 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 . SER 1 1 16386 1 . ASP 2 2 16386 1 . VAL 3 3 16386 1 . ASN 4 4 16386 1 . GLU 5 5 16386 1 . CYS 6 6 16386 1 . LEU 7 7 16386 1 . THR 8 8 16386 1 . ILE 9 9 16386 1 . PRO 10 10 16386 1 . GLU 11 11 16386 1 . ALA 12 12 16386 1 . CYS 13 13 16386 1 . LYS 14 14 16386 1 . GLY 15 15 16386 1 . GLU 16 16 16386 1 . MET 17 17 16386 1 . LYS 18 18 16386 1 . CYS 19 19 16386 1 . ILE 20 20 16386 1 . ASN 21 21 16386 1 . HIS 22 22 16386 1 . TYR 23 23 16386 1 . GLY 24 24 16386 1 . GLY 25 25 16386 1 . TYR 26 26 16386 1 . LEU 27 27 16386 1 . CYS 28 28 16386 1 . LEU 29 29 16386 1 . PRO 30 30 16386 1 . ARG 31 31 16386 1 . SER 32 32 16386 1 . ALA 33 33 16386 1 . ALA 34 34 16386 1 . VAL 35 35 16386 1 . ILE 36 36 16386 1 . ASN 37 37 16386 1 . ASP 38 38 16386 1 . LEU 39 39 16386 1 . HIS 40 40 16386 1 . GLY 41 41 16386 1 . GLU 42 42 16386 1 . GLY 43 43 16386 1 . PRO 44 44 16386 1 . PRO 45 45 16386 1 . PRO 46 46 16386 1 . PRO 47 47 16386 1 . VAL 48 48 16386 1 . PRO 49 49 16386 1 . PRO 50 50 16386 1 . ALA 51 51 16386 1 . GLN 52 52 16386 1 . HIS 53 53 16386 1 . PRO 54 54 16386 1 . ASN 55 55 16386 1 . PRO 56 56 16386 1 . CYS 57 57 16386 1 . PRO 58 58 16386 1 . PRO 59 59 16386 1 . GLY 60 60 16386 1 . TYR 61 61 16386 1 . GLU 62 62 16386 1 . PRO 63 63 16386 1 . ASP 64 64 16386 1 . ASP 65 65 16386 1 . GLN 66 66 16386 1 . ASP 67 67 16386 1 . SER 68 68 16386 1 . CYS 69 69 16386 1 . VAL 70 70 16386 1 . ASP 71 71 16386 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 16386 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16386 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 16386 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . na . . . . . . 16386 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16386 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.6 . . mM . . . . 16386 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 16386 1 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16386 1 4 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 16386 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16386 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16386 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16386 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 15N]' . . 1 $entity . . 0.3 . . mM . . . . 16386 2 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 16386 2 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16386 2 4 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 16386 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16386 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16386 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16386 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 16386 1 pH 6.5 . pH 16386 1 pressure 1 . atm 16386 1 temperature 298 . K 16386 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16386 _Software.ID 1 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16386 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16386 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16386 _Software.ID 2 _Software.Name CNS _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16386 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16386 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16386 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16386 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16386 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16386 _Software.ID 4 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16386 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16386 4 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 16386 _Software.ID 5 _Software.Name PSVS _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 16386 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID validation 16386 5 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16386 _Software.ID 6 _Software.Name SPARKY _Software.Version 2.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16386 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16386 6 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 16386 _Software.ID 7 _Software.Name PINE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 16386 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16386 7 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 16386 _Software.ID 8 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 16386 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID visualization 16386 8 stop_ save_ save_pymol _Software.Sf_category software _Software.Sf_framecode pymol _Software.Entry_ID 16386 _Software.ID 9 _Software.Name PyMol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'DeLano Scientific' . . 16386 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID visualization 16386 9 stop_ save_ save_PDBStat _Software.Sf_category software _Software.Sf_framecode PDBStat _Software.Entry_ID 16386 _Software.ID 10 _Software.Name PDBStat _Software.Version 5.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Tejero, Montelione' . . 16386 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'PDB processing' 16386 10 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16386 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16386 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 16386 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 16386 1 2 spectrometer_2 Bruker Avance . 600 . . . 16386 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 16386 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16386 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16386 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16386 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16386 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16386 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16386 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16386 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16386 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16386 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16386 1 11 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16386 1 12 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16386 1 13 '2D 1H-15N HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16386 1 14 '2D 1H-15N het_NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16386 1 15 '1D 15N_T1 series' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16386 1 16 '1D 15N_T2 series' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16386 1 17 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16386 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16386 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details '50 uM DSS internal std.' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16386 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16386 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16386 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16386 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.025 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16386 1 2 '2D 1H-13C HSQC' . . . 16386 1 5 '3D HNCO' . . . 16386 1 7 '3D HN(CA)CO' . . . 16386 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 6 $SPARKY . . 16386 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER C C 13 175.817 0.3 . 1 . . . . 1 Ser C . 16386 1 2 . 1 1 2 2 ASP H H 1 8.270 0.025 . 1 . . . . 2 Asp H . 16386 1 3 . 1 1 2 2 ASP HA H 1 4.706 0.025 . 1 . . . . 2 Asp HA . 16386 1 4 . 1 1 2 2 ASP HB2 H 1 2.727 0.025 . 2 . . . . 2 Asp HB2 . 16386 1 5 . 1 1 2 2 ASP HB3 H 1 2.616 0.025 . 2 . . . . 2 Asp HB3 . 16386 1 6 . 1 1 2 2 ASP C C 13 176.240 0.3 . 1 . . . . 2 Asp C . 16386 1 7 . 1 1 2 2 ASP CA C 13 54.448 0.3 . 1 . . . . 2 Asp CA . 16386 1 8 . 1 1 2 2 ASP CB C 13 41.396 0.3 . 1 . . . . 2 Asp CB . 16386 1 9 . 1 1 2 2 ASP N N 15 116.604 0.3 . 1 . . . . 2 Asp N . 16386 1 10 . 1 1 3 3 VAL H H 1 8.197 0.025 . 1 . . . . 3 Val H . 16386 1 11 . 1 1 3 3 VAL HA H 1 4.090 0.025 . 1 . . . . 3 Val HA . 16386 1 12 . 1 1 3 3 VAL HB H 1 2.075 0.025 . 1 . . . . 3 Val HB . 16386 1 13 . 1 1 3 3 VAL HG11 H 1 0.924 0.025 . 2 . . . . 3 Val HG1 . 16386 1 14 . 1 1 3 3 VAL HG12 H 1 0.924 0.025 . 2 . . . . 3 Val HG1 . 16386 1 15 . 1 1 3 3 VAL HG13 H 1 0.924 0.025 . 2 . . . . 3 Val HG1 . 16386 1 16 . 1 1 3 3 VAL HG21 H 1 0.924 0.025 . 2 . . . . 3 Val HG2 . 16386 1 17 . 1 1 3 3 VAL HG22 H 1 0.924 0.025 . 2 . . . . 3 Val HG2 . 16386 1 18 . 1 1 3 3 VAL HG23 H 1 0.924 0.025 . 2 . . . . 3 Val HG2 . 16386 1 19 . 1 1 3 3 VAL C C 13 175.880 0.3 . 1 . . . . 3 Val C . 16386 1 20 . 1 1 3 3 VAL CA C 13 62.509 0.3 . 1 . . . . 3 Val CA . 16386 1 21 . 1 1 3 3 VAL CB C 13 32.701 0.3 . 1 . . . . 3 Val CB . 16386 1 22 . 1 1 3 3 VAL CG1 C 13 21.073 0.3 . 2 . . . . 3 Val CG1 . 16386 1 23 . 1 1 3 3 VAL CG2 C 13 20.582 0.3 . 2 . . . . 3 Val CG2 . 16386 1 24 . 1 1 3 3 VAL N N 15 119.871 0.3 . 1 . . . . 3 Val N . 16386 1 25 . 1 1 4 4 ASN H H 1 8.502 0.025 . 1 . . . . 4 Asn H . 16386 1 26 . 1 1 4 4 ASN HA H 1 4.700 0.025 . 1 . . . . 4 Asn HA . 16386 1 27 . 1 1 4 4 ASN HB2 H 1 2.790 0.025 . 2 . . . . 4 Asn HB2 . 16386 1 28 . 1 1 4 4 ASN HB3 H 1 2.702 0.025 . 2 . . . . 4 Asn HB3 . 16386 1 29 . 1 1 4 4 ASN HD21 H 1 7.608 0.025 . 2 . . . . 4 Asn HD21 . 16386 1 30 . 1 1 4 4 ASN HD22 H 1 6.879 0.025 . 2 . . . . 4 Asn HD22 . 16386 1 31 . 1 1 4 4 ASN C C 13 175.378 0.3 . 1 . . . . 4 Asn C . 16386 1 32 . 1 1 4 4 ASN CA C 13 53.427 0.3 . 1 . . . . 4 Asn CA . 16386 1 33 . 1 1 4 4 ASN CB C 13 39.212 0.3 . 1 . . . . 4 Asn CB . 16386 1 34 . 1 1 4 4 ASN N N 15 121.932 0.3 . 1 . . . . 4 Asn N . 16386 1 35 . 1 1 4 4 ASN ND2 N 15 112.684 0.3 . 1 . . . . 4 Asn ND2 . 16386 1 36 . 1 1 5 5 GLU H H 1 8.453 0.025 . 1 . . . . 5 Glu H . 16386 1 37 . 1 1 5 5 GLU HA H 1 4.281 0.025 . 1 . . . . 5 Glu HA . 16386 1 38 . 1 1 5 5 GLU HB2 H 1 1.951 0.025 . 2 . . . . 5 Glu HB2 . 16386 1 39 . 1 1 5 5 GLU HB3 H 1 2.069 0.025 . 2 . . . . 5 Glu HB3 . 16386 1 40 . 1 1 5 5 GLU HG2 H 1 2.272 0.025 . 2 . . . . 5 Glu HG2 . 16386 1 41 . 1 1 5 5 GLU HG3 H 1 2.224 0.025 . 2 . . . . 5 Glu HG3 . 16386 1 42 . 1 1 5 5 GLU C C 13 176.502 0.3 . 1 . . . . 5 Glu C . 16386 1 43 . 1 1 5 5 GLU CA C 13 56.925 0.3 . 1 . . . . 5 Glu CA . 16386 1 44 . 1 1 5 5 GLU CB C 13 30.226 0.3 . 1 . . . . 5 Glu CB . 16386 1 45 . 1 1 5 5 GLU CG C 13 36.367 0.3 . 1 . . . . 5 Glu CG . 16386 1 46 . 1 1 5 5 GLU N N 15 122.108 0.3 . 1 . . . . 5 Glu N . 16386 1 47 . 1 1 6 6 CYS H H 1 8.519 0.025 . 1 . . . . 6 Cys H . 16386 1 48 . 1 1 6 6 CYS HA H 1 4.605 0.025 . 1 . . . . 6 Cys HA . 16386 1 49 . 1 1 6 6 CYS HB2 H 1 3.198 0.025 . 2 . . . . 6 Cys HB2 . 16386 1 50 . 1 1 6 6 CYS HB3 H 1 3.059 0.025 . 2 . . . . 6 Cys HB3 . 16386 1 51 . 1 1 6 6 CYS C C 13 174.876 0.3 . 1 . . . . 6 Cys C . 16386 1 52 . 1 1 6 6 CYS CA C 13 56.068 0.3 . 1 . . . . 6 Cys CA . 16386 1 53 . 1 1 6 6 CYS CB C 13 40.544 0.3 . 1 . . . . 6 Cys CB . 16386 1 54 . 1 1 6 6 CYS N N 15 119.657 0.3 . 1 . . . . 6 Cys N . 16386 1 55 . 1 1 7 7 LEU H H 1 8.372 0.025 . 1 . . . . 7 Leu H . 16386 1 56 . 1 1 7 7 LEU HA H 1 4.361 0.025 . 1 . . . . 7 Leu HA . 16386 1 57 . 1 1 7 7 LEU HB2 H 1 1.583 0.025 . 2 . . . . 7 Leu HB2 . 16386 1 58 . 1 1 7 7 LEU HB3 H 1 1.705 0.025 . 2 . . . . 7 Leu HB3 . 16386 1 59 . 1 1 7 7 LEU HD11 H 1 0.858 0.025 . 2 . . . . 7 Leu HD1 . 16386 1 60 . 1 1 7 7 LEU HD12 H 1 0.858 0.025 . 2 . . . . 7 Leu HD1 . 16386 1 61 . 1 1 7 7 LEU HD13 H 1 0.858 0.025 . 2 . . . . 7 Leu HD1 . 16386 1 62 . 1 1 7 7 LEU HD21 H 1 0.926 0.025 . 2 . . . . 7 Leu HD2 . 16386 1 63 . 1 1 7 7 LEU HD22 H 1 0.926 0.025 . 2 . . . . 7 Leu HD2 . 16386 1 64 . 1 1 7 7 LEU HD23 H 1 0.926 0.025 . 2 . . . . 7 Leu HD2 . 16386 1 65 . 1 1 7 7 LEU HG H 1 1.637 0.025 . 1 . . . . 7 Leu HG . 16386 1 66 . 1 1 7 7 LEU C C 13 177.534 0.3 . 1 . . . . 7 Leu C . 16386 1 67 . 1 1 7 7 LEU CA C 13 55.778 0.3 . 1 . . . . 7 Leu CA . 16386 1 68 . 1 1 7 7 LEU CB C 13 42.554 0.3 . 1 . . . . 7 Leu CB . 16386 1 69 . 1 1 7 7 LEU CD1 C 13 23.355 0.3 . 2 . . . . 7 Leu CD1 . 16386 1 70 . 1 1 7 7 LEU CD2 C 13 25.047 0.3 . 2 . . . . 7 Leu CD2 . 16386 1 71 . 1 1 7 7 LEU CG C 13 26.978 0.3 . 1 . . . . 7 Leu CG . 16386 1 72 . 1 1 7 7 LEU N N 15 123.198 0.3 . 1 . . . . 7 Leu N . 16386 1 73 . 1 1 8 8 THR H H 1 8.018 0.025 . 1 . . . . 8 Thr H . 16386 1 74 . 1 1 8 8 THR HA H 1 4.332 0.025 . 1 . . . . 8 Thr HA . 16386 1 75 . 1 1 8 8 THR HB H 1 4.221 0.025 . 1 . . . . 8 Thr HB . 16386 1 76 . 1 1 8 8 THR HG21 H 1 1.156 0.025 . 1 . . . . 8 Thr HG2 . 16386 1 77 . 1 1 8 8 THR HG22 H 1 1.156 0.025 . 1 . . . . 8 Thr HG2 . 16386 1 78 . 1 1 8 8 THR HG23 H 1 1.156 0.025 . 1 . . . . 8 Thr HG2 . 16386 1 79 . 1 1 8 8 THR C C 13 174.296 0.3 . 1 . . . . 8 Thr C . 16386 1 80 . 1 1 8 8 THR CA C 13 61.745 0.3 . 1 . . . . 8 Thr CA . 16386 1 81 . 1 1 8 8 THR CB C 13 69.529 0.3 . 1 . . . . 8 Thr CB . 16386 1 82 . 1 1 8 8 THR CG2 C 13 21.755 0.3 . 1 . . . . 8 Thr CG2 . 16386 1 83 . 1 1 8 8 THR N N 15 113.232 0.3 . 1 . . . . 8 Thr N . 16386 1 84 . 1 1 9 9 ILE H H 1 7.827 0.025 . 1 . . . . 9 Ile H . 16386 1 85 . 1 1 9 9 ILE HA H 1 4.472 0.025 . 1 . . . . 9 Ile HA . 16386 1 86 . 1 1 9 9 ILE HB H 1 1.884 0.025 . 1 . . . . 9 Ile HB . 16386 1 87 . 1 1 9 9 ILE HD11 H 1 0.829 0.025 . 1 . . . . 9 Ile HD1 . 16386 1 88 . 1 1 9 9 ILE HD12 H 1 0.829 0.025 . 1 . . . . 9 Ile HD1 . 16386 1 89 . 1 1 9 9 ILE HD13 H 1 0.829 0.025 . 1 . . . . 9 Ile HD1 . 16386 1 90 . 1 1 9 9 ILE HG12 H 1 1.458 0.025 . 2 . . . . 9 Ile HG12 . 16386 1 91 . 1 1 9 9 ILE HG13 H 1 1.125 0.025 . 2 . . . . 9 Ile HG13 . 16386 1 92 . 1 1 9 9 ILE HG21 H 1 0.896 0.025 . 1 . . . . 9 Ile HG2 . 16386 1 93 . 1 1 9 9 ILE HG22 H 1 0.896 0.025 . 1 . . . . 9 Ile HG2 . 16386 1 94 . 1 1 9 9 ILE HG23 H 1 0.896 0.025 . 1 . . . . 9 Ile HG2 . 16386 1 95 . 1 1 9 9 ILE C C 13 174.443 0.3 . 1 . . . . 9 Ile C . 16386 1 96 . 1 1 9 9 ILE CA C 13 58.355 0.3 . 1 . . . . 9 Ile CA . 16386 1 97 . 1 1 9 9 ILE CB C 13 38.496 0.3 . 1 . . . . 9 Ile CB . 16386 1 98 . 1 1 9 9 ILE CD1 C 13 12.885 0.3 . 1 . . . . 9 Ile CD1 . 16386 1 99 . 1 1 9 9 ILE CG1 C 13 26.796 0.3 . 1 . . . . 9 Ile CG1 . 16386 1 100 . 1 1 9 9 ILE CG2 C 13 17.422 0.3 . 1 . . . . 9 Ile CG2 . 16386 1 101 . 1 1 9 9 ILE N N 15 123.285 0.3 . 1 . . . . 9 Ile N . 16386 1 102 . 1 1 10 10 PRO HA H 1 4.351 0.025 . 1 . . . . 10 Pro HA . 16386 1 103 . 1 1 10 10 PRO HB2 H 1 2.298 0.025 . 2 . . . . 10 Pro HB2 . 16386 1 104 . 1 1 10 10 PRO HB3 H 1 1.874 0.025 . 2 . . . . 10 Pro HB3 . 16386 1 105 . 1 1 10 10 PRO HD2 H 1 3.868 0.025 . 2 . . . . 10 Pro HD2 . 16386 1 106 . 1 1 10 10 PRO HD3 H 1 3.639 0.025 . 2 . . . . 10 Pro HD3 . 16386 1 107 . 1 1 10 10 PRO HG2 H 1 2.047 0.025 . 2 . . . . 10 Pro HG2 . 16386 1 108 . 1 1 10 10 PRO HG3 H 1 2.047 0.025 . 2 . . . . 10 Pro HG3 . 16386 1 109 . 1 1 10 10 PRO C C 13 177.207 0.3 . 1 . . . . 10 Pro C . 16386 1 110 . 1 1 10 10 PRO CA C 13 63.599 0.3 . 1 . . . . 10 Pro CA . 16386 1 111 . 1 1 10 10 PRO CB C 13 31.965 0.3 . 1 . . . . 10 Pro CB . 16386 1 112 . 1 1 10 10 PRO CD C 13 50.945 0.3 . 1 . . . . 10 Pro CD . 16386 1 113 . 1 1 10 10 PRO CG C 13 27.547 0.3 . 1 . . . . 10 Pro CG . 16386 1 114 . 1 1 11 11 GLU H H 1 8.555 0.025 . 1 . . . . 11 Glu H . 16386 1 115 . 1 1 11 11 GLU HA H 1 4.053 0.025 . 1 . . . . 11 Glu HA . 16386 1 116 . 1 1 11 11 GLU HB2 H 1 1.886 0.025 . 2 . . . . 11 Glu HB2 . 16386 1 117 . 1 1 11 11 GLU HB3 H 1 1.884 0.025 . 2 . . . . 11 Glu HB3 . 16386 1 118 . 1 1 11 11 GLU HG2 H 1 2.228 0.025 . 2 . . . . 11 Glu HG2 . 16386 1 119 . 1 1 11 11 GLU HG3 H 1 2.197 0.025 . 2 . . . . 11 Glu HG3 . 16386 1 120 . 1 1 11 11 GLU C C 13 176.353 0.3 . 1 . . . . 11 Glu C . 16386 1 121 . 1 1 11 11 GLU CA C 13 56.955 0.3 . 1 . . . . 11 Glu CA . 16386 1 122 . 1 1 11 11 GLU CB C 13 29.589 0.3 . 1 . . . . 11 Glu CB . 16386 1 123 . 1 1 11 11 GLU CG C 13 36.410 0.3 . 1 . . . . 11 Glu CG . 16386 1 124 . 1 1 11 11 GLU N N 15 120.562 0.3 . 1 . . . . 11 Glu N . 16386 1 125 . 1 1 12 12 ALA H H 1 8.089 0.025 . 1 . . . . 12 Ala H . 16386 1 126 . 1 1 12 12 ALA HA H 1 4.233 0.025 . 1 . . . . 12 Ala HA . 16386 1 127 . 1 1 12 12 ALA HB1 H 1 1.151 0.025 . 1 . . . . 12 Ala HB . 16386 1 128 . 1 1 12 12 ALA HB2 H 1 1.151 0.025 . 1 . . . . 12 Ala HB . 16386 1 129 . 1 1 12 12 ALA HB3 H 1 1.151 0.025 . 1 . . . . 12 Ala HB . 16386 1 130 . 1 1 12 12 ALA C C 13 178.135 0.3 . 1 . . . . 12 Ala C . 16386 1 131 . 1 1 12 12 ALA CA C 13 53.092 0.3 . 1 . . . . 12 Ala CA . 16386 1 132 . 1 1 12 12 ALA CB C 13 19.570 0.3 . 1 . . . . 12 Ala CB . 16386 1 133 . 1 1 12 12 ALA N N 15 123.927 0.3 . 1 . . . . 12 Ala N . 16386 1 134 . 1 1 13 13 CYS H H 1 8.725 0.025 . 1 . . . . 13 Cys H . 16386 1 135 . 1 1 13 13 CYS HA H 1 4.816 0.025 . 1 . . . . 13 Cys HA . 16386 1 136 . 1 1 13 13 CYS HB2 H 1 2.709 0.025 . 2 . . . . 13 Cys HB2 . 16386 1 137 . 1 1 13 13 CYS HB3 H 1 3.013 0.025 . 2 . . . . 13 Cys HB3 . 16386 1 138 . 1 1 13 13 CYS C C 13 175.490 0.3 . 1 . . . . 13 Cys C . 16386 1 139 . 1 1 13 13 CYS CA C 13 52.752 0.3 . 1 . . . . 13 Cys CA . 16386 1 140 . 1 1 13 13 CYS CB C 13 36.168 0.3 . 1 . . . . 13 Cys CB . 16386 1 141 . 1 1 13 13 CYS N N 15 114.120 0.3 . 1 . . . . 13 Cys N . 16386 1 142 . 1 1 14 14 LYS H H 1 8.246 0.025 . 1 . . . . 14 Lys H . 16386 1 143 . 1 1 14 14 LYS HA H 1 4.027 0.025 . 1 . . . . 14 Lys HA . 16386 1 144 . 1 1 14 14 LYS HB2 H 1 1.797 0.025 . 2 . . . . 14 Lys HB2 . 16386 1 145 . 1 1 14 14 LYS HB3 H 1 1.797 0.025 . 2 . . . . 14 Lys HB3 . 16386 1 146 . 1 1 14 14 LYS HD2 H 1 1.680 0.025 . 2 . . . . 14 Lys HD2 . 16386 1 147 . 1 1 14 14 LYS HD3 H 1 1.680 0.025 . 2 . . . . 14 Lys HD3 . 16386 1 148 . 1 1 14 14 LYS HE2 H 1 2.985 0.025 . 2 . . . . 14 Lys HE2 . 16386 1 149 . 1 1 14 14 LYS HE3 H 1 2.985 0.025 . 2 . . . . 14 Lys HE3 . 16386 1 150 . 1 1 14 14 LYS HG2 H 1 1.420 0.025 . 2 . . . . 14 Lys HG2 . 16386 1 151 . 1 1 14 14 LYS HG3 H 1 1.343 0.025 . 2 . . . . 14 Lys HG3 . 16386 1 152 . 1 1 14 14 LYS C C 13 177.863 0.3 . 1 . . . . 14 Lys C . 16386 1 153 . 1 1 14 14 LYS CA C 13 58.289 0.3 . 1 . . . . 14 Lys CA . 16386 1 154 . 1 1 14 14 LYS CB C 13 31.489 0.3 . 1 . . . . 14 Lys CB . 16386 1 155 . 1 1 14 14 LYS CD C 13 29.258 0.3 . 1 . . . . 14 Lys CD . 16386 1 156 . 1 1 14 14 LYS CE C 13 42.138 0.3 . 1 . . . . 14 Lys CE . 16386 1 157 . 1 1 14 14 LYS CG C 13 24.715 0.3 . 1 . . . . 14 Lys CG . 16386 1 158 . 1 1 14 14 LYS N N 15 121.767 0.3 . 1 . . . . 14 Lys N . 16386 1 159 . 1 1 15 15 GLY H H 1 8.979 0.025 . 1 . . . . 15 Gly H . 16386 1 160 . 1 1 15 15 GLY HA2 H 1 4.161 0.025 . 2 . . . . 15 Gly HA2 . 16386 1 161 . 1 1 15 15 GLY HA3 H 1 3.765 0.025 . 2 . . . . 15 Gly HA3 . 16386 1 162 . 1 1 15 15 GLY C C 13 173.903 0.3 . 1 . . . . 15 Gly C . 16386 1 163 . 1 1 15 15 GLY CA C 13 45.603 0.3 . 1 . . . . 15 Gly CA . 16386 1 164 . 1 1 15 15 GLY N N 15 113.508 0.3 . 1 . . . . 15 Gly N . 16386 1 165 . 1 1 16 16 GLU H H 1 8.027 0.025 . 1 . . . . 16 Glu H . 16386 1 166 . 1 1 16 16 GLU HA H 1 4.555 0.025 . 1 . . . . 16 Glu HA . 16386 1 167 . 1 1 16 16 GLU HB2 H 1 2.287 0.025 . 2 . . . . 16 Glu HB2 . 16386 1 168 . 1 1 16 16 GLU HB3 H 1 1.565 0.025 . 2 . . . . 16 Glu HB3 . 16386 1 169 . 1 1 16 16 GLU HG2 H 1 2.172 0.025 . 2 . . . . 16 Glu HG2 . 16386 1 170 . 1 1 16 16 GLU HG3 H 1 2.038 0.025 . 2 . . . . 16 Glu HG3 . 16386 1 171 . 1 1 16 16 GLU C C 13 174.310 0.3 . 1 . . . . 16 Glu C . 16386 1 172 . 1 1 16 16 GLU CA C 13 55.213 0.3 . 1 . . . . 16 Glu CA . 16386 1 173 . 1 1 16 16 GLU CB C 13 31.839 0.3 . 1 . . . . 16 Glu CB . 16386 1 174 . 1 1 16 16 GLU CG C 13 36.928 0.3 . 1 . . . . 16 Glu CG . 16386 1 175 . 1 1 16 16 GLU N N 15 120.692 0.3 . 1 . . . . 16 Glu N . 16386 1 176 . 1 1 17 17 MET H H 1 8.943 0.025 . 1 . . . . 17 Met H . 16386 1 177 . 1 1 17 17 MET HA H 1 4.584 0.025 . 1 . . . . 17 Met HA . 16386 1 178 . 1 1 17 17 MET HB2 H 1 2.050 0.025 . 2 . . . . 17 Met HB2 . 16386 1 179 . 1 1 17 17 MET HB3 H 1 1.901 0.025 . 2 . . . . 17 Met HB3 . 16386 1 180 . 1 1 17 17 MET HE1 H 1 2.033 0.025 . 1 . . . . 17 Met HE . 16386 1 181 . 1 1 17 17 MET HE2 H 1 2.033 0.025 . 1 . . . . 17 Met HE . 16386 1 182 . 1 1 17 17 MET HE3 H 1 2.033 0.025 . 1 . . . . 17 Met HE . 16386 1 183 . 1 1 17 17 MET HG2 H 1 2.415 0.025 . 2 . . . . 17 Met HG2 . 16386 1 184 . 1 1 17 17 MET HG3 H 1 2.415 0.025 . 2 . . . . 17 Met HG3 . 16386 1 185 . 1 1 17 17 MET C C 13 173.801 0.3 . 1 . . . . 17 Met C . 16386 1 186 . 1 1 17 17 MET CA C 13 55.183 0.3 . 1 . . . . 17 Met CA . 16386 1 187 . 1 1 17 17 MET CB C 13 34.221 0.3 . 1 . . . . 17 Met CB . 16386 1 188 . 1 1 17 17 MET CE C 13 16.925 0.3 . 1 . . . . 17 Met CE . 16386 1 189 . 1 1 17 17 MET CG C 13 31.524 0.3 . 1 . . . . 17 Met CG . 16386 1 190 . 1 1 17 17 MET N N 15 120.713 0.3 . 1 . . . . 17 Met N . 16386 1 191 . 1 1 18 18 LYS H H 1 8.789 0.025 . 1 . . . . 18 Lys H . 16386 1 192 . 1 1 18 18 LYS HA H 1 5.083 0.025 . 1 . . . . 18 Lys HA . 16386 1 193 . 1 1 18 18 LYS HB2 H 1 2.072 0.025 . 2 . . . . 18 Lys HB2 . 16386 1 194 . 1 1 18 18 LYS HB3 H 1 1.431 0.025 . 2 . . . . 18 Lys HB3 . 16386 1 195 . 1 1 18 18 LYS HD2 H 1 1.558 0.025 . 2 . . . . 18 Lys HD2 . 16386 1 196 . 1 1 18 18 LYS HD3 H 1 1.442 0.025 . 2 . . . . 18 Lys HD3 . 16386 1 197 . 1 1 18 18 LYS HE2 H 1 2.479 0.025 . 2 . . . . 18 Lys HE2 . 16386 1 198 . 1 1 18 18 LYS HE3 H 1 2.215 0.025 . 2 . . . . 18 Lys HE3 . 16386 1 199 . 1 1 18 18 LYS HG2 H 1 1.305 0.025 . 2 . . . . 18 Lys HG2 . 16386 1 200 . 1 1 18 18 LYS HG3 H 1 1.108 0.025 . 2 . . . . 18 Lys HG3 . 16386 1 201 . 1 1 18 18 LYS C C 13 175.138 0.3 . 1 . . . . 18 Lys C . 16386 1 202 . 1 1 18 18 LYS CA C 13 55.726 0.3 . 1 . . . . 18 Lys CA . 16386 1 203 . 1 1 18 18 LYS CB C 13 35.053 0.3 . 1 . . . . 18 Lys CB . 16386 1 204 . 1 1 18 18 LYS CD C 13 29.907 0.3 . 1 . . . . 18 Lys CD . 16386 1 205 . 1 1 18 18 LYS CE C 13 41.628 0.3 . 1 . . . . 18 Lys CE . 16386 1 206 . 1 1 18 18 LYS CG C 13 25.987 0.3 . 1 . . . . 18 Lys CG . 16386 1 207 . 1 1 18 18 LYS N N 15 127.261 0.3 . 1 . . . . 18 Lys N . 16386 1 208 . 1 1 19 19 CYS H H 1 9.132 0.025 . 1 . . . . 19 Cys H . 16386 1 209 . 1 1 19 19 CYS HA H 1 5.273 0.025 . 1 . . . . 19 Cys HA . 16386 1 210 . 1 1 19 19 CYS HB2 H 1 2.929 0.025 . 2 . . . . 19 Cys HB2 . 16386 1 211 . 1 1 19 19 CYS HB3 H 1 2.822 0.025 . 2 . . . . 19 Cys HB3 . 16386 1 212 . 1 1 19 19 CYS C C 13 174.193 0.3 . 1 . . . . 19 Cys C . 16386 1 213 . 1 1 19 19 CYS CA C 13 54.753 0.3 . 1 . . . . 19 Cys CA . 16386 1 214 . 1 1 19 19 CYS CB C 13 43.915 0.3 . 1 . . . . 19 Cys CB . 16386 1 215 . 1 1 19 19 CYS N N 15 126.193 0.3 . 1 . . . . 19 Cys N . 16386 1 216 . 1 1 20 20 ILE H H 1 10.001 0.025 . 1 . . . . 20 Ile H . 16386 1 217 . 1 1 20 20 ILE HA H 1 5.483 0.025 . 1 . . . . 20 Ile HA . 16386 1 218 . 1 1 20 20 ILE HB H 1 2.039 0.025 . 1 . . . . 20 Ile HB . 16386 1 219 . 1 1 20 20 ILE HD11 H 1 0.825 0.025 . 1 . . . . 20 Ile HD1 . 16386 1 220 . 1 1 20 20 ILE HD12 H 1 0.825 0.025 . 1 . . . . 20 Ile HD1 . 16386 1 221 . 1 1 20 20 ILE HD13 H 1 0.825 0.025 . 1 . . . . 20 Ile HD1 . 16386 1 222 . 1 1 20 20 ILE HG12 H 1 1.418 0.025 . 2 . . . . 20 Ile HG12 . 16386 1 223 . 1 1 20 20 ILE HG13 H 1 1.173 0.025 . 2 . . . . 20 Ile HG13 . 16386 1 224 . 1 1 20 20 ILE HG21 H 1 1.038 0.025 . 1 . . . . 20 Ile HG2 . 16386 1 225 . 1 1 20 20 ILE HG22 H 1 1.038 0.025 . 1 . . . . 20 Ile HG2 . 16386 1 226 . 1 1 20 20 ILE HG23 H 1 1.038 0.025 . 1 . . . . 20 Ile HG2 . 16386 1 227 . 1 1 20 20 ILE C C 13 176.355 0.3 . 1 . . . . 20 Ile C . 16386 1 228 . 1 1 20 20 ILE CA C 13 59.977 0.3 . 1 . . . . 20 Ile CA . 16386 1 229 . 1 1 20 20 ILE CB C 13 42.458 0.3 . 1 . . . . 20 Ile CB . 16386 1 230 . 1 1 20 20 ILE CD1 C 13 14.350 0.3 . 1 . . . . 20 Ile CD1 . 16386 1 231 . 1 1 20 20 ILE CG1 C 13 26.436 0.3 . 1 . . . . 20 Ile CG1 . 16386 1 232 . 1 1 20 20 ILE CG2 C 13 18.625 0.3 . 1 . . . . 20 Ile CG2 . 16386 1 233 . 1 1 20 20 ILE N N 15 119.415 0.3 . 1 . . . . 20 Ile N . 16386 1 234 . 1 1 21 21 ASN H H 1 8.092 0.025 . 1 . . . . 21 Asn H . 16386 1 235 . 1 1 21 21 ASN HA H 1 4.906 0.025 . 1 . . . . 21 Asn HA . 16386 1 236 . 1 1 21 21 ASN HB2 H 1 2.823 0.025 . 2 . . . . 21 Asn HB2 . 16386 1 237 . 1 1 21 21 ASN HB3 H 1 1.274 0.025 . 2 . . . . 21 Asn HB3 . 16386 1 238 . 1 1 21 21 ASN HD21 H 1 7.359 0.025 . 2 . . . . 21 Asn HD21 . 16386 1 239 . 1 1 21 21 ASN HD22 H 1 7.359 0.025 . 2 . . . . 21 Asn HD22 . 16386 1 240 . 1 1 21 21 ASN CA C 13 50.729 0.3 . 1 . . . . 21 Asn CA . 16386 1 241 . 1 1 21 21 ASN CB C 13 38.492 0.3 . 1 . . . . 21 Asn CB . 16386 1 242 . 1 1 21 21 ASN ND2 N 15 112.081 0.3 . 1 . . . . 21 Asn ND2 . 16386 1 243 . 1 1 22 22 HIS HD2 H 1 6.895 0.025 . 1 . . . . 22 His HD2 . 16386 1 244 . 1 1 22 22 HIS HE1 H 1 8.005 0.025 . 1 . . . . 22 His HE1 . 16386 1 245 . 1 1 22 22 HIS C C 13 174.724 0.3 . 1 . . . . 22 His C . 16386 1 246 . 1 1 22 22 HIS CD2 C 13 119.015 0.3 . 1 . . . . 22 His CD2 . 16386 1 247 . 1 1 22 22 HIS CE1 C 13 137.770 0.3 . 1 . . . . 22 His CE1 . 16386 1 248 . 1 1 22 22 HIS ND1 N 15 213.925 0.3 . 1 . . . . 22 His ND1 . 16386 1 249 . 1 1 22 22 HIS NE2 N 15 177.743 0.3 . 1 . . . . 22 His NE2 . 16386 1 250 . 1 1 23 23 TYR H H 1 7.932 0.025 . 1 . . . . 23 Tyr H . 16386 1 251 . 1 1 23 23 TYR HA H 1 4.785 0.025 . 1 . . . . 23 Tyr HA . 16386 1 252 . 1 1 23 23 TYR HB2 H 1 3.307 0.025 . 2 . . . . 23 Tyr HB2 . 16386 1 253 . 1 1 23 23 TYR HB3 H 1 2.660 0.025 . 2 . . . . 23 Tyr HB3 . 16386 1 254 . 1 1 23 23 TYR HD1 H 1 6.965 0.025 . 3 . . . . 23 Tyr HD1 . 16386 1 255 . 1 1 23 23 TYR HD2 H 1 6.968 0.025 . 3 . . . . 23 Tyr HD2 . 16386 1 256 . 1 1 23 23 TYR HE1 H 1 6.808 0.025 . 3 . . . . 23 Tyr HE1 . 16386 1 257 . 1 1 23 23 TYR HE2 H 1 6.807 0.025 . 3 . . . . 23 Tyr HE2 . 16386 1 258 . 1 1 23 23 TYR C C 13 176.186 0.3 . 1 . . . . 23 Tyr C . 16386 1 259 . 1 1 23 23 TYR CA C 13 56.891 0.3 . 1 . . . . 23 Tyr CA . 16386 1 260 . 1 1 23 23 TYR CB C 13 38.509 0.3 . 1 . . . . 23 Tyr CB . 16386 1 261 . 1 1 23 23 TYR CD1 C 13 132.854 0.3 . 3 . . . . 23 Tyr CD1 . 16386 1 262 . 1 1 23 23 TYR CD2 C 13 132.854 0.3 . 3 . . . . 23 Tyr CD2 . 16386 1 263 . 1 1 23 23 TYR CE1 C 13 118.380 0.3 . 3 . . . . 23 Tyr CE1 . 16386 1 264 . 1 1 23 23 TYR CE2 C 13 118.339 0.3 . 3 . . . . 23 Tyr CE2 . 16386 1 265 . 1 1 23 23 TYR N N 15 117.160 0.3 . 1 . . . . 23 Tyr N . 16386 1 266 . 1 1 24 24 GLY HA2 H 1 4.411 0.025 . 2 . . . . 24 Gly HA2 . 16386 1 267 . 1 1 24 24 GLY HA3 H 1 3.674 0.025 . 2 . . . . 24 Gly HA3 . 16386 1 268 . 1 1 24 24 GLY C C 13 174.895 0.3 . 1 . . . . 24 Gly C . 16386 1 269 . 1 1 24 24 GLY CA C 13 45.377 0.3 . 1 . . . . 24 Gly CA . 16386 1 270 . 1 1 25 25 GLY H H 1 8.418 0.025 . 1 . . . . 25 Gly H . 16386 1 271 . 1 1 25 25 GLY HA2 H 1 4.461 0.025 . 2 . . . . 25 Gly HA2 . 16386 1 272 . 1 1 25 25 GLY HA3 H 1 3.737 0.025 . 2 . . . . 25 Gly HA3 . 16386 1 273 . 1 1 25 25 GLY C C 13 172.832 0.3 . 1 . . . . 25 Gly C . 16386 1 274 . 1 1 25 25 GLY CA C 13 44.602 0.3 . 1 . . . . 25 Gly CA . 16386 1 275 . 1 1 25 25 GLY N N 15 110.337 0.3 . 1 . . . . 25 Gly N . 16386 1 276 . 1 1 26 26 TYR H H 1 8.256 0.025 . 1 . . . . 26 Tyr H . 16386 1 277 . 1 1 26 26 TYR HA H 1 6.053 0.025 . 1 . . . . 26 Tyr HA . 16386 1 278 . 1 1 26 26 TYR HB2 H 1 2.954 0.025 . 2 . . . . 26 Tyr HB2 . 16386 1 279 . 1 1 26 26 TYR HB3 H 1 2.954 0.025 . 2 . . . . 26 Tyr HB3 . 16386 1 280 . 1 1 26 26 TYR HD1 H 1 6.881 0.025 . 3 . . . . 26 Tyr HD1 . 16386 1 281 . 1 1 26 26 TYR HD2 H 1 6.878 0.025 . 3 . . . . 26 Tyr HD2 . 16386 1 282 . 1 1 26 26 TYR HE1 H 1 6.818 0.025 . 3 . . . . 26 Tyr HE1 . 16386 1 283 . 1 1 26 26 TYR HE2 H 1 6.819 0.025 . 3 . . . . 26 Tyr HE2 . 16386 1 284 . 1 1 26 26 TYR C C 13 173.625 0.3 . 1 . . . . 26 Tyr C . 16386 1 285 . 1 1 26 26 TYR CA C 13 55.921 0.3 . 1 . . . . 26 Tyr CA . 16386 1 286 . 1 1 26 26 TYR CB C 13 42.690 0.3 . 1 . . . . 26 Tyr CB . 16386 1 287 . 1 1 26 26 TYR CD1 C 13 132.885 0.3 . 3 . . . . 26 Tyr CD1 . 16386 1 288 . 1 1 26 26 TYR CD2 C 13 132.885 0.3 . 3 . . . . 26 Tyr CD2 . 16386 1 289 . 1 1 26 26 TYR CE1 C 13 118.560 0.3 . 3 . . . . 26 Tyr CE1 . 16386 1 290 . 1 1 26 26 TYR CE2 C 13 118.553 0.3 . 3 . . . . 26 Tyr CE2 . 16386 1 291 . 1 1 26 26 TYR N N 15 116.601 0.3 . 1 . . . . 26 Tyr N . 16386 1 292 . 1 1 27 27 LEU H H 1 9.227 0.025 . 1 . . . . 27 Leu H . 16386 1 293 . 1 1 27 27 LEU HA H 1 4.437 0.025 . 1 . . . . 27 Leu HA . 16386 1 294 . 1 1 27 27 LEU HB2 H 1 1.295 0.025 . 2 . . . . 27 Leu HB2 . 16386 1 295 . 1 1 27 27 LEU HB3 H 1 1.120 0.025 . 2 . . . . 27 Leu HB3 . 16386 1 296 . 1 1 27 27 LEU HD11 H 1 0.502 0.025 . 2 . . . . 27 Leu HD1 . 16386 1 297 . 1 1 27 27 LEU HD12 H 1 0.502 0.025 . 2 . . . . 27 Leu HD1 . 16386 1 298 . 1 1 27 27 LEU HD13 H 1 0.502 0.025 . 2 . . . . 27 Leu HD1 . 16386 1 299 . 1 1 27 27 LEU HD21 H 1 0.295 0.025 . 2 . . . . 27 Leu HD2 . 16386 1 300 . 1 1 27 27 LEU HD22 H 1 0.295 0.025 . 2 . . . . 27 Leu HD2 . 16386 1 301 . 1 1 27 27 LEU HD23 H 1 0.295 0.025 . 2 . . . . 27 Leu HD2 . 16386 1 302 . 1 1 27 27 LEU HG H 1 1.112 0.025 . 1 . . . . 27 Leu HG . 16386 1 303 . 1 1 27 27 LEU C C 13 175.019 0.3 . 1 . . . . 27 Leu C . 16386 1 304 . 1 1 27 27 LEU CA C 13 53.999 0.3 . 1 . . . . 27 Leu CA . 16386 1 305 . 1 1 27 27 LEU CB C 13 46.334 0.3 . 1 . . . . 27 Leu CB . 16386 1 306 . 1 1 27 27 LEU CD1 C 13 24.389 0.3 . 2 . . . . 27 Leu CD1 . 16386 1 307 . 1 1 27 27 LEU CD2 C 13 25.039 0.3 . 2 . . . . 27 Leu CD2 . 16386 1 308 . 1 1 27 27 LEU CG C 13 26.468 0.3 . 1 . . . . 27 Leu CG . 16386 1 309 . 1 1 27 27 LEU N N 15 121.005 0.3 . 1 . . . . 27 Leu N . 16386 1 310 . 1 1 28 28 CYS H H 1 8.801 0.025 . 1 . . . . 28 Cys H . 16386 1 311 . 1 1 28 28 CYS HA H 1 5.730 0.025 . 1 . . . . 28 Cys HA . 16386 1 312 . 1 1 28 28 CYS HB2 H 1 2.703 0.025 . 2 . . . . 28 Cys HB2 . 16386 1 313 . 1 1 28 28 CYS HB3 H 1 3.126 0.025 . 2 . . . . 28 Cys HB3 . 16386 1 314 . 1 1 28 28 CYS C C 13 174.452 0.3 . 1 . . . . 28 Cys C . 16386 1 315 . 1 1 28 28 CYS CA C 13 51.978 0.3 . 1 . . . . 28 Cys CA . 16386 1 316 . 1 1 28 28 CYS CB C 13 37.734 0.3 . 1 . . . . 28 Cys CB . 16386 1 317 . 1 1 28 28 CYS N N 15 120.613 0.3 . 1 . . . . 28 Cys N . 16386 1 318 . 1 1 29 29 LEU H H 1 9.371 0.025 . 1 . . . . 29 Leu H . 16386 1 319 . 1 1 29 29 LEU HA H 1 4.891 0.025 . 1 . . . . 29 Leu HA . 16386 1 320 . 1 1 29 29 LEU HB2 H 1 1.619 0.025 . 2 . . . . 29 Leu HB2 . 16386 1 321 . 1 1 29 29 LEU HB3 H 1 1.386 0.025 . 2 . . . . 29 Leu HB3 . 16386 1 322 . 1 1 29 29 LEU HD11 H 1 0.824 0.025 . 2 . . . . 29 Leu HD1 . 16386 1 323 . 1 1 29 29 LEU HD12 H 1 0.824 0.025 . 2 . . . . 29 Leu HD1 . 16386 1 324 . 1 1 29 29 LEU HD13 H 1 0.824 0.025 . 2 . . . . 29 Leu HD1 . 16386 1 325 . 1 1 29 29 LEU HD21 H 1 0.831 0.025 . 2 . . . . 29 Leu HD2 . 16386 1 326 . 1 1 29 29 LEU HD22 H 1 0.831 0.025 . 2 . . . . 29 Leu HD2 . 16386 1 327 . 1 1 29 29 LEU HD23 H 1 0.831 0.025 . 2 . . . . 29 Leu HD2 . 16386 1 328 . 1 1 29 29 LEU HG H 1 1.557 0.025 . 1 . . . . 29 Leu HG . 16386 1 329 . 1 1 29 29 LEU C C 13 173.339 0.3 . 1 . . . . 29 Leu C . 16386 1 330 . 1 1 29 29 LEU CA C 13 51.743 0.3 . 1 . . . . 29 Leu CA . 16386 1 331 . 1 1 29 29 LEU CB C 13 44.633 0.3 . 1 . . . . 29 Leu CB . 16386 1 332 . 1 1 29 29 LEU CD1 C 13 25.882 0.3 . 2 . . . . 29 Leu CD1 . 16386 1 333 . 1 1 29 29 LEU CD2 C 13 24.465 0.3 . 2 . . . . 29 Leu CD2 . 16386 1 334 . 1 1 29 29 LEU CG C 13 27.763 0.3 . 1 . . . . 29 Leu CG . 16386 1 335 . 1 1 29 29 LEU N N 15 127.550 0.3 . 1 . . . . 29 Leu N . 16386 1 336 . 1 1 30 30 PRO HA H 1 4.478 0.025 . 1 . . . . 30 Pro HA . 16386 1 337 . 1 1 30 30 PRO HB2 H 1 1.856 0.025 . 2 . . . . 30 Pro HB2 . 16386 1 338 . 1 1 30 30 PRO HB3 H 1 2.343 0.025 . 2 . . . . 30 Pro HB3 . 16386 1 339 . 1 1 30 30 PRO HD2 H 1 3.815 0.025 . 2 . . . . 30 Pro HD2 . 16386 1 340 . 1 1 30 30 PRO HD3 H 1 3.561 0.025 . 2 . . . . 30 Pro HD3 . 16386 1 341 . 1 1 30 30 PRO HG2 H 1 2.027 0.025 . 2 . . . . 30 Pro HG2 . 16386 1 342 . 1 1 30 30 PRO HG3 H 1 2.027 0.025 . 2 . . . . 30 Pro HG3 . 16386 1 343 . 1 1 30 30 PRO C C 13 177.206 0.3 . 1 . . . . 30 Pro C . 16386 1 344 . 1 1 30 30 PRO CA C 13 62.730 0.3 . 1 . . . . 30 Pro CA . 16386 1 345 . 1 1 30 30 PRO CB C 13 31.984 0.3 . 1 . . . . 30 Pro CB . 16386 1 346 . 1 1 30 30 PRO CD C 13 50.466 0.3 . 1 . . . . 30 Pro CD . 16386 1 347 . 1 1 30 30 PRO CG C 13 27.583 0.3 . 1 . . . . 30 Pro CG . 16386 1 348 . 1 1 31 31 ARG H H 1 8.856 0.025 . 1 . . . . 31 Arg H . 16386 1 349 . 1 1 31 31 ARG HA H 1 4.189 0.025 . 1 . . . . 31 Arg HA . 16386 1 350 . 1 1 31 31 ARG HB2 H 1 1.853 0.025 . 2 . . . . 31 Arg HB2 . 16386 1 351 . 1 1 31 31 ARG HB3 H 1 1.743 0.025 . 2 . . . . 31 Arg HB3 . 16386 1 352 . 1 1 31 31 ARG HD2 H 1 3.169 0.025 . 2 . . . . 31 Arg HD2 . 16386 1 353 . 1 1 31 31 ARG HD3 H 1 3.137 0.025 . 2 . . . . 31 Arg HD3 . 16386 1 354 . 1 1 31 31 ARG HE H 1 7.100 0.025 . 1 . . . . 31 Arg HE . 16386 1 355 . 1 1 31 31 ARG HG2 H 1 1.638 0.025 . 2 . . . . 31 Arg HG2 . 16386 1 356 . 1 1 31 31 ARG HG3 H 1 1.684 0.025 . 2 . . . . 31 Arg HG3 . 16386 1 357 . 1 1 31 31 ARG C C 13 176.891 0.3 . 1 . . . . 31 Arg C . 16386 1 358 . 1 1 31 31 ARG CA C 13 56.964 0.3 . 1 . . . . 31 Arg CA . 16386 1 359 . 1 1 31 31 ARG CB C 13 30.633 0.3 . 1 . . . . 31 Arg CB . 16386 1 360 . 1 1 31 31 ARG CD C 13 43.318 0.3 . 1 . . . . 31 Arg CD . 16386 1 361 . 1 1 31 31 ARG CG C 13 28.248 0.3 . 1 . . . . 31 Arg CG . 16386 1 362 . 1 1 31 31 ARG N N 15 121.660 0.3 . 1 . . . . 31 Arg N . 16386 1 363 . 1 1 31 31 ARG NE N 15 84.283 0.3 . 1 . . . . 31 Arg NE . 16386 1 364 . 1 1 32 32 SER H H 1 8.318 0.025 . 1 . . . . 32 Ser H . 16386 1 365 . 1 1 32 32 SER HA H 1 4.389 0.025 . 1 . . . . 32 Ser HA . 16386 1 366 . 1 1 32 32 SER HB2 H 1 3.831 0.025 . 2 . . . . 32 Ser HB2 . 16386 1 367 . 1 1 32 32 SER HB3 H 1 3.831 0.025 . 2 . . . . 32 Ser HB3 . 16386 1 368 . 1 1 32 32 SER C C 13 174.251 0.3 . 1 . . . . 32 Ser C . 16386 1 369 . 1 1 32 32 SER CA C 13 58.238 0.3 . 1 . . . . 32 Ser CA . 16386 1 370 . 1 1 32 32 SER CB C 13 63.821 0.3 . 1 . . . . 32 Ser CB . 16386 1 371 . 1 1 32 32 SER N N 15 116.432 0.3 . 1 . . . . 32 Ser N . 16386 1 372 . 1 1 33 33 ALA H H 1 8.353 0.025 . 1 . . . . 33 Ala H . 16386 1 373 . 1 1 33 33 ALA HA H 1 4.307 0.025 . 1 . . . . 33 Ala HA . 16386 1 374 . 1 1 33 33 ALA HB1 H 1 1.391 0.025 . 1 . . . . 33 Ala HB . 16386 1 375 . 1 1 33 33 ALA HB2 H 1 1.391 0.025 . 1 . . . . 33 Ala HB . 16386 1 376 . 1 1 33 33 ALA HB3 H 1 1.391 0.025 . 1 . . . . 33 Ala HB . 16386 1 377 . 1 1 33 33 ALA C C 13 177.290 0.3 . 1 . . . . 33 Ala C . 16386 1 378 . 1 1 33 33 ALA CA C 13 52.515 0.3 . 1 . . . . 33 Ala CA . 16386 1 379 . 1 1 33 33 ALA CB C 13 19.358 0.3 . 1 . . . . 33 Ala CB . 16386 1 380 . 1 1 33 33 ALA N N 15 126.203 0.3 . 1 . . . . 33 Ala N . 16386 1 381 . 1 1 34 34 ALA H H 1 8.178 0.025 . 1 . . . . 34 Ala H . 16386 1 382 . 1 1 34 34 ALA HA H 1 4.280 0.025 . 1 . . . . 34 Ala HA . 16386 1 383 . 1 1 34 34 ALA HB1 H 1 1.347 0.025 . 1 . . . . 34 Ala HB . 16386 1 384 . 1 1 34 34 ALA HB2 H 1 1.347 0.025 . 1 . . . . 34 Ala HB . 16386 1 385 . 1 1 34 34 ALA HB3 H 1 1.347 0.025 . 1 . . . . 34 Ala HB . 16386 1 386 . 1 1 34 34 ALA C C 13 177.519 0.3 . 1 . . . . 34 Ala C . 16386 1 387 . 1 1 34 34 ALA CA C 13 52.480 0.3 . 1 . . . . 34 Ala CA . 16386 1 388 . 1 1 34 34 ALA CB C 13 19.250 0.3 . 1 . . . . 34 Ala CB . 16386 1 389 . 1 1 34 34 ALA N N 15 123.091 0.3 . 1 . . . . 34 Ala N . 16386 1 390 . 1 1 35 35 VAL H H 1 8.083 0.025 . 1 . . . . 35 Val H . 16386 1 391 . 1 1 35 35 VAL HA H 1 4.060 0.025 . 1 . . . . 35 Val HA . 16386 1 392 . 1 1 35 35 VAL HB H 1 2.033 0.025 . 1 . . . . 35 Val HB . 16386 1 393 . 1 1 35 35 VAL HG11 H 1 0.924 0.025 . 2 . . . . 35 Val HG1 . 16386 1 394 . 1 1 35 35 VAL HG12 H 1 0.924 0.025 . 2 . . . . 35 Val HG1 . 16386 1 395 . 1 1 35 35 VAL HG13 H 1 0.924 0.025 . 2 . . . . 35 Val HG1 . 16386 1 396 . 1 1 35 35 VAL HG21 H 1 0.894 0.025 . 2 . . . . 35 Val HG2 . 16386 1 397 . 1 1 35 35 VAL HG22 H 1 0.894 0.025 . 2 . . . . 35 Val HG2 . 16386 1 398 . 1 1 35 35 VAL HG23 H 1 0.894 0.025 . 2 . . . . 35 Val HG2 . 16386 1 399 . 1 1 35 35 VAL C C 13 176.050 0.3 . 1 . . . . 35 Val C . 16386 1 400 . 1 1 35 35 VAL CA C 13 62.297 0.3 . 1 . . . . 35 Val CA . 16386 1 401 . 1 1 35 35 VAL CB C 13 32.695 0.3 . 1 . . . . 35 Val CB . 16386 1 402 . 1 1 35 35 VAL CG1 C 13 20.871 0.3 . 2 . . . . 35 Val CG1 . 16386 1 403 . 1 1 35 35 VAL CG2 C 13 21.173 0.3 . 2 . . . . 35 Val CG2 . 16386 1 404 . 1 1 35 35 VAL N N 15 120.060 0.3 . 1 . . . . 35 Val N . 16386 1 405 . 1 1 36 36 ILE H H 1 8.264 0.025 . 1 . . . . 36 Ile H . 16386 1 406 . 1 1 36 36 ILE HA H 1 4.141 0.025 . 1 . . . . 36 Ile HA . 16386 1 407 . 1 1 36 36 ILE HB H 1 1.833 0.025 . 1 . . . . 36 Ile HB . 16386 1 408 . 1 1 36 36 ILE HD11 H 1 0.826 0.025 . 1 . . . . 36 Ile HD1 . 16386 1 409 . 1 1 36 36 ILE HD12 H 1 0.826 0.025 . 1 . . . . 36 Ile HD1 . 16386 1 410 . 1 1 36 36 ILE HD13 H 1 0.826 0.025 . 1 . . . . 36 Ile HD1 . 16386 1 411 . 1 1 36 36 ILE HG12 H 1 1.447 0.025 . 2 . . . . 36 Ile HG12 . 16386 1 412 . 1 1 36 36 ILE HG13 H 1 1.152 0.025 . 2 . . . . 36 Ile HG13 . 16386 1 413 . 1 1 36 36 ILE HG21 H 1 0.874 0.025 . 1 . . . . 36 Ile HG2 . 16386 1 414 . 1 1 36 36 ILE HG22 H 1 0.874 0.025 . 1 . . . . 36 Ile HG2 . 16386 1 415 . 1 1 36 36 ILE HG23 H 1 0.874 0.025 . 1 . . . . 36 Ile HG2 . 16386 1 416 . 1 1 36 36 ILE C C 13 175.848 0.3 . 1 . . . . 36 Ile C . 16386 1 417 . 1 1 36 36 ILE CA C 13 60.924 0.3 . 1 . . . . 36 Ile CA . 16386 1 418 . 1 1 36 36 ILE CB C 13 38.614 0.3 . 1 . . . . 36 Ile CB . 16386 1 419 . 1 1 36 36 ILE CD1 C 13 12.715 0.3 . 1 . . . . 36 Ile CD1 . 16386 1 420 . 1 1 36 36 ILE CG1 C 13 27.236 0.3 . 1 . . . . 36 Ile CG1 . 16386 1 421 . 1 1 36 36 ILE CG2 C 13 17.530 0.3 . 1 . . . . 36 Ile CG2 . 16386 1 422 . 1 1 36 36 ILE N N 15 125.147 0.3 . 1 . . . . 36 Ile N . 16386 1 423 . 1 1 37 37 ASN H H 1 8.501 0.025 . 1 . . . . 37 Asn H . 16386 1 424 . 1 1 37 37 ASN HA H 1 4.702 0.025 . 1 . . . . 37 Asn HA . 16386 1 425 . 1 1 37 37 ASN HB2 H 1 2.757 0.025 . 2 . . . . 37 Asn HB2 . 16386 1 426 . 1 1 37 37 ASN HB3 H 1 2.831 0.025 . 2 . . . . 37 Asn HB3 . 16386 1 427 . 1 1 37 37 ASN HD21 H 1 7.683 0.025 . 2 . . . . 37 Asn HD21 . 16386 1 428 . 1 1 37 37 ASN HD22 H 1 6.949 0.025 . 2 . . . . 37 Asn HD22 . 16386 1 429 . 1 1 37 37 ASN C C 13 174.609 0.3 . 1 . . . . 37 Asn C . 16386 1 430 . 1 1 37 37 ASN CA C 13 53.143 0.3 . 1 . . . . 37 Asn CA . 16386 1 431 . 1 1 37 37 ASN CB C 13 38.957 0.3 . 1 . . . . 37 Asn CB . 16386 1 432 . 1 1 37 37 ASN N N 15 123.292 0.3 . 1 . . . . 37 Asn N . 16386 1 433 . 1 1 37 37 ASN ND2 N 15 113.400 0.3 . 1 . . . . 37 Asn ND2 . 16386 1 434 . 1 1 38 38 ASP H H 1 8.326 0.025 . 1 . . . . 38 Asp H . 16386 1 435 . 1 1 38 38 ASP HA H 1 4.562 0.025 . 1 . . . . 38 Asp HA . 16386 1 436 . 1 1 38 38 ASP HB2 H 1 2.601 0.025 . 2 . . . . 38 Asp HB2 . 16386 1 437 . 1 1 38 38 ASP HB3 H 1 2.657 0.025 . 2 . . . . 38 Asp HB3 . 16386 1 438 . 1 1 38 38 ASP C C 13 176.188 0.3 . 1 . . . . 38 Asp C . 16386 1 439 . 1 1 38 38 ASP CA C 13 54.218 0.3 . 1 . . . . 38 Asp CA . 16386 1 440 . 1 1 38 38 ASP CB C 13 41.133 0.3 . 1 . . . . 38 Asp CB . 16386 1 441 . 1 1 38 38 ASP N N 15 121.317 0.3 . 1 . . . . 38 Asp N . 16386 1 442 . 1 1 39 39 LEU H H 1 8.188 0.025 . 1 . . . . 39 Leu H . 16386 1 443 . 1 1 39 39 LEU HA H 1 4.242 0.025 . 1 . . . . 39 Leu HA . 16386 1 444 . 1 1 39 39 LEU HB2 H 1 1.566 0.025 . 2 . . . . 39 Leu HB2 . 16386 1 445 . 1 1 39 39 LEU HB3 H 1 1.476 0.025 . 2 . . . . 39 Leu HB3 . 16386 1 446 . 1 1 39 39 LEU HD11 H 1 0.878 0.025 . 2 . . . . 39 Leu HD1 . 16386 1 447 . 1 1 39 39 LEU HD12 H 1 0.878 0.025 . 2 . . . . 39 Leu HD1 . 16386 1 448 . 1 1 39 39 LEU HD13 H 1 0.878 0.025 . 2 . . . . 39 Leu HD1 . 16386 1 449 . 1 1 39 39 LEU HD21 H 1 0.815 0.025 . 2 . . . . 39 Leu HD2 . 16386 1 450 . 1 1 39 39 LEU HD22 H 1 0.815 0.025 . 2 . . . . 39 Leu HD2 . 16386 1 451 . 1 1 39 39 LEU HD23 H 1 0.815 0.025 . 2 . . . . 39 Leu HD2 . 16386 1 452 . 1 1 39 39 LEU HG H 1 1.520 0.025 . 1 . . . . 39 Leu HG . 16386 1 453 . 1 1 39 39 LEU C C 13 177.515 0.3 . 1 . . . . 39 Leu C . 16386 1 454 . 1 1 39 39 LEU CA C 13 55.501 0.3 . 1 . . . . 39 Leu CA . 16386 1 455 . 1 1 39 39 LEU CB C 13 42.030 0.3 . 1 . . . . 39 Leu CB . 16386 1 456 . 1 1 39 39 LEU CD1 C 13 24.931 0.3 . 2 . . . . 39 Leu CD1 . 16386 1 457 . 1 1 39 39 LEU CD2 C 13 23.412 0.3 . 2 . . . . 39 Leu CD2 . 16386 1 458 . 1 1 39 39 LEU CG C 13 26.874 0.3 . 1 . . . . 39 Leu CG . 16386 1 459 . 1 1 39 39 LEU N N 15 122.367 0.3 . 1 . . . . 39 Leu N . 16386 1 460 . 1 1 40 40 HIS H H 1 8.418 0.025 . 1 . . . . 40 His H . 16386 1 461 . 1 1 40 40 HIS HA H 1 4.636 0.025 . 1 . . . . 40 His HA . 16386 1 462 . 1 1 40 40 HIS HB2 H 1 3.247 0.025 . 2 . . . . 40 His HB2 . 16386 1 463 . 1 1 40 40 HIS HB3 H 1 3.137 0.025 . 2 . . . . 40 His HB3 . 16386 1 464 . 1 1 40 40 HIS HD2 H 1 7.123 0.025 . 1 . . . . 40 His HD2 . 16386 1 465 . 1 1 40 40 HIS HE1 H 1 8.074 0.025 . 1 . . . . 40 His HE1 . 16386 1 466 . 1 1 40 40 HIS C C 13 175.495 0.3 . 1 . . . . 40 His C . 16386 1 467 . 1 1 40 40 HIS CA C 13 55.920 0.3 . 1 . . . . 40 His CA . 16386 1 468 . 1 1 40 40 HIS CB C 13 29.633 0.3 . 1 . . . . 40 His CB . 16386 1 469 . 1 1 40 40 HIS CD2 C 13 119.679 0.3 . 1 . . . . 40 His CD2 . 16386 1 470 . 1 1 40 40 HIS CE1 C 13 137.716 0.3 . 1 . . . . 40 His CE1 . 16386 1 471 . 1 1 40 40 HIS N N 15 118.989 0.3 . 1 . . . . 40 His N . 16386 1 472 . 1 1 40 40 HIS ND1 N 15 208.253 0.3 . 1 . . . . 40 His ND1 . 16386 1 473 . 1 1 40 40 HIS NE2 N 15 178.462 0.3 . 1 . . . . 40 His NE2 . 16386 1 474 . 1 1 41 41 GLY H H 1 8.258 0.025 . 1 . . . . 41 Gly H . 16386 1 475 . 1 1 41 41 GLY HA2 H 1 3.969 0.025 . 2 . . . . 41 Gly HA2 . 16386 1 476 . 1 1 41 41 GLY HA3 H 1 3.952 0.025 . 2 . . . . 41 Gly HA3 . 16386 1 477 . 1 1 41 41 GLY C C 13 174.007 0.3 . 1 . . . . 41 Gly C . 16386 1 478 . 1 1 41 41 GLY CA C 13 45.363 0.3 . 1 . . . . 41 Gly CA . 16386 1 479 . 1 1 41 41 GLY N N 15 109.714 0.3 . 1 . . . . 41 Gly N . 16386 1 480 . 1 1 42 42 GLU H H 1 8.406 0.025 . 1 . . . . 42 Glu H . 16386 1 481 . 1 1 42 42 GLU HA H 1 4.378 0.025 . 1 . . . . 42 Glu HA . 16386 1 482 . 1 1 42 42 GLU HB2 H 1 1.933 0.025 . 2 . . . . 42 Glu HB2 . 16386 1 483 . 1 1 42 42 GLU HB3 H 1 2.103 0.025 . 2 . . . . 42 Glu HB3 . 16386 1 484 . 1 1 42 42 GLU HG2 H 1 2.259 0.025 . 2 . . . . 42 Glu HG2 . 16386 1 485 . 1 1 42 42 GLU HG3 H 1 2.259 0.025 . 2 . . . . 42 Glu HG3 . 16386 1 486 . 1 1 42 42 GLU C C 13 176.668 0.3 . 1 . . . . 42 Glu C . 16386 1 487 . 1 1 42 42 GLU CA C 13 56.278 0.3 . 1 . . . . 42 Glu CA . 16386 1 488 . 1 1 42 42 GLU CB C 13 30.473 0.3 . 1 . . . . 42 Glu CB . 16386 1 489 . 1 1 42 42 GLU CG C 13 36.264 0.3 . 1 . . . . 42 Glu CG . 16386 1 490 . 1 1 42 42 GLU N N 15 120.561 0.3 . 1 . . . . 42 Glu N . 16386 1 491 . 1 1 43 43 GLY H H 1 8.284 0.025 . 1 . . . . 43 Gly H . 16386 1 492 . 1 1 43 43 GLY HA2 H 1 4.100 0.025 . 2 . . . . 43 Gly HA2 . 16386 1 493 . 1 1 43 43 GLY HA3 H 1 4.099 0.025 . 2 . . . . 43 Gly HA3 . 16386 1 494 . 1 1 43 43 GLY C C 13 171.027 0.3 . 1 . . . . 43 Gly C . 16386 1 495 . 1 1 43 43 GLY CA C 13 44.399 0.3 . 1 . . . . 43 Gly CA . 16386 1 496 . 1 1 43 43 GLY N N 15 110.014 0.3 . 1 . . . . 43 Gly N . 16386 1 497 . 1 1 47 47 PRO HB2 H 1 2.180 0.025 . 2 . . . . 47 Pro HB2 . 16386 1 498 . 1 1 47 47 PRO C C 13 176.172 0.3 . 1 . . . . 47 Pro C . 16386 1 499 . 1 1 47 47 PRO CB C 13 32.134 0.3 . 1 . . . . 47 Pro CB . 16386 1 500 . 1 1 48 48 VAL H H 1 8.585 0.025 . 1 . . . . 48 Val H . 16386 1 501 . 1 1 48 48 VAL HA H 1 4.438 0.025 . 1 . . . . 48 Val HA . 16386 1 502 . 1 1 48 48 VAL HG11 H 1 0.947 0.025 . 2 . . . . 48 Val HG1 . 16386 1 503 . 1 1 48 48 VAL HG12 H 1 0.947 0.025 . 2 . . . . 48 Val HG1 . 16386 1 504 . 1 1 48 48 VAL HG13 H 1 0.947 0.025 . 2 . . . . 48 Val HG1 . 16386 1 505 . 1 1 48 48 VAL HG21 H 1 0.924 0.025 . 2 . . . . 48 Val HG2 . 16386 1 506 . 1 1 48 48 VAL HG22 H 1 0.924 0.025 . 2 . . . . 48 Val HG2 . 16386 1 507 . 1 1 48 48 VAL HG23 H 1 0.924 0.025 . 2 . . . . 48 Val HG2 . 16386 1 508 . 1 1 48 48 VAL C C 13 174.309 0.3 . 1 . . . . 48 Val C . 16386 1 509 . 1 1 48 48 VAL CA C 13 59.190 0.3 . 1 . . . . 48 Val CA . 16386 1 510 . 1 1 48 48 VAL CG1 C 13 21.106 0.3 . 2 . . . . 48 Val CG1 . 16386 1 511 . 1 1 48 48 VAL CG2 C 13 20.311 0.3 . 2 . . . . 48 Val CG2 . 16386 1 512 . 1 1 48 48 VAL N N 15 125.965 0.3 . 1 . . . . 48 Val N . 16386 1 513 . 1 1 50 50 PRO HA H 1 4.353 0.025 . 1 . . . . 50 Pro HA . 16386 1 514 . 1 1 50 50 PRO HB2 H 1 2.292 0.025 . 2 . . . . 50 Pro HB2 . 16386 1 515 . 1 1 50 50 PRO HB3 H 1 1.930 0.025 . 2 . . . . 50 Pro HB3 . 16386 1 516 . 1 1 50 50 PRO HD2 H 1 3.804 0.025 . 2 . . . . 50 Pro HD2 . 16386 1 517 . 1 1 50 50 PRO HD3 H 1 3.667 0.025 . 2 . . . . 50 Pro HD3 . 16386 1 518 . 1 1 50 50 PRO HG2 H 1 2.023 0.025 . 2 . . . . 50 Pro HG2 . 16386 1 519 . 1 1 50 50 PRO HG3 H 1 2.023 0.025 . 2 . . . . 50 Pro HG3 . 16386 1 520 . 1 1 50 50 PRO C C 13 176.824 0.3 . 1 . . . . 50 Pro C . 16386 1 521 . 1 1 50 50 PRO CA C 13 63.194 0.3 . 1 . . . . 50 Pro CA . 16386 1 522 . 1 1 50 50 PRO CB C 13 32.006 0.3 . 1 . . . . 50 Pro CB . 16386 1 523 . 1 1 50 50 PRO CD C 13 50.820 0.3 . 1 . . . . 50 Pro CD . 16386 1 524 . 1 1 50 50 PRO CG C 13 27.338 0.3 . 1 . . . . 50 Pro CG . 16386 1 525 . 1 1 51 51 ALA H H 1 8.301 0.025 . 1 . . . . 51 Ala H . 16386 1 526 . 1 1 51 51 ALA HA H 1 4.241 0.025 . 1 . . . . 51 Ala HA . 16386 1 527 . 1 1 51 51 ALA HB1 H 1 1.359 0.025 . 1 . . . . 51 Ala HB . 16386 1 528 . 1 1 51 51 ALA HB2 H 1 1.359 0.025 . 1 . . . . 51 Ala HB . 16386 1 529 . 1 1 51 51 ALA HB3 H 1 1.359 0.025 . 1 . . . . 51 Ala HB . 16386 1 530 . 1 1 51 51 ALA C C 13 177.617 0.3 . 1 . . . . 51 Ala C . 16386 1 531 . 1 1 51 51 ALA CA C 13 52.717 0.3 . 1 . . . . 51 Ala CA . 16386 1 532 . 1 1 51 51 ALA CB C 13 19.211 0.3 . 1 . . . . 51 Ala CB . 16386 1 533 . 1 1 51 51 ALA N N 15 122.996 0.3 . 1 . . . . 51 Ala N . 16386 1 534 . 1 1 52 52 GLN H H 1 8.165 0.025 . 1 . . . . 52 Gln H . 16386 1 535 . 1 1 52 52 GLN HA H 1 4.266 0.025 . 1 . . . . 52 Gln HA . 16386 1 536 . 1 1 52 52 GLN HB2 H 1 2.016 0.025 . 2 . . . . 52 Gln HB2 . 16386 1 537 . 1 1 52 52 GLN HB3 H 1 1.897 0.025 . 2 . . . . 52 Gln HB3 . 16386 1 538 . 1 1 52 52 GLN HE21 H 1 7.554 0.025 . 2 . . . . 52 Gln HE21 . 16386 1 539 . 1 1 52 52 GLN HE22 H 1 6.881 0.025 . 2 . . . . 52 Gln HE22 . 16386 1 540 . 1 1 52 52 GLN HG2 H 1 2.295 0.025 . 2 . . . . 52 Gln HG2 . 16386 1 541 . 1 1 52 52 GLN HG3 H 1 2.295 0.025 . 2 . . . . 52 Gln HG3 . 16386 1 542 . 1 1 52 52 GLN C C 13 175.394 0.3 . 1 . . . . 52 Gln C . 16386 1 543 . 1 1 52 52 GLN CA C 13 55.582 0.3 . 1 . . . . 52 Gln CA . 16386 1 544 . 1 1 52 52 GLN CB C 13 29.636 0.3 . 1 . . . . 52 Gln CB . 16386 1 545 . 1 1 52 52 GLN CG C 13 33.867 0.3 . 1 . . . . 52 Gln CG . 16386 1 546 . 1 1 52 52 GLN N N 15 118.178 0.3 . 1 . . . . 52 Gln N . 16386 1 547 . 1 1 52 52 GLN NE2 N 15 112.505 0.3 . 1 . . . . 52 Gln NE2 . 16386 1 548 . 1 1 53 53 HIS H H 1 8.395 0.025 . 1 . . . . 53 His H . 16386 1 549 . 1 1 53 53 HIS HA H 1 4.872 0.025 . 1 . . . . 53 His HA . 16386 1 550 . 1 1 53 53 HIS HB2 H 1 3.141 0.025 . 2 . . . . 53 His HB2 . 16386 1 551 . 1 1 53 53 HIS HB3 H 1 3.036 0.025 . 2 . . . . 53 His HB3 . 16386 1 552 . 1 1 53 53 HIS HD2 H 1 7.126 0.025 . 1 . . . . 53 His HD2 . 16386 1 553 . 1 1 53 53 HIS HE1 H 1 8.167 0.025 . 1 . . . . 53 His HE1 . 16386 1 554 . 1 1 53 53 HIS C C 13 173.260 0.3 . 1 . . . . 53 His C . 16386 1 555 . 1 1 53 53 HIS CA C 13 54.036 0.3 . 1 . . . . 53 His CA . 16386 1 556 . 1 1 53 53 HIS CB C 13 29.841 0.3 . 1 . . . . 53 His CB . 16386 1 557 . 1 1 53 53 HIS CD2 C 13 119.707 0.3 . 1 . . . . 53 His CD2 . 16386 1 558 . 1 1 53 53 HIS CE1 C 13 137.540 0.3 . 1 . . . . 53 His CE1 . 16386 1 559 . 1 1 53 53 HIS N N 15 121.522 0.3 . 1 . . . . 53 His N . 16386 1 560 . 1 1 53 53 HIS ND1 N 15 200.894 0.3 . 1 . . . . 53 His ND1 . 16386 1 561 . 1 1 53 53 HIS NE2 N 15 178.557 0.3 . 1 . . . . 53 His NE2 . 16386 1 562 . 1 1 54 54 PRO HA H 1 4.547 0.025 . 1 . . . . 54 Pro HA . 16386 1 563 . 1 1 54 54 PRO HB2 H 1 2.172 0.025 . 2 . . . . 54 Pro HB2 . 16386 1 564 . 1 1 54 54 PRO HB3 H 1 1.992 0.025 . 2 . . . . 54 Pro HB3 . 16386 1 565 . 1 1 54 54 PRO HD2 H 1 3.897 0.025 . 2 . . . . 54 Pro HD2 . 16386 1 566 . 1 1 54 54 PRO HD3 H 1 3.899 0.025 . 2 . . . . 54 Pro HD3 . 16386 1 567 . 1 1 54 54 PRO HG2 H 1 2.073 0.025 . 2 . . . . 54 Pro HG2 . 16386 1 568 . 1 1 54 54 PRO HG3 H 1 1.897 0.025 . 2 . . . . 54 Pro HG3 . 16386 1 569 . 1 1 54 54 PRO C C 13 176.605 0.3 . 1 . . . . 54 Pro C . 16386 1 570 . 1 1 54 54 PRO CA C 13 62.997 0.3 . 1 . . . . 54 Pro CA . 16386 1 571 . 1 1 54 54 PRO CB C 13 32.349 0.3 . 1 . . . . 54 Pro CB . 16386 1 572 . 1 1 54 54 PRO CD C 13 50.287 0.3 . 1 . . . . 54 Pro CD . 16386 1 573 . 1 1 54 54 PRO CG C 13 26.412 0.3 . 1 . . . . 54 Pro CG . 16386 1 574 . 1 1 55 55 ASN H H 1 8.646 0.025 . 1 . . . . 55 Asn H . 16386 1 575 . 1 1 55 55 ASN HA H 1 4.969 0.025 . 1 . . . . 55 Asn HA . 16386 1 576 . 1 1 55 55 ASN HB2 H 1 3.075 0.025 . 2 . . . . 55 Asn HB2 . 16386 1 577 . 1 1 55 55 ASN HB3 H 1 2.893 0.025 . 2 . . . . 55 Asn HB3 . 16386 1 578 . 1 1 55 55 ASN HD21 H 1 7.519 0.025 . 2 . . . . 55 Asn HD21 . 16386 1 579 . 1 1 55 55 ASN HD22 H 1 7.267 0.025 . 2 . . . . 55 Asn HD22 . 16386 1 580 . 1 1 55 55 ASN C C 13 171.312 0.3 . 1 . . . . 55 Asn C . 16386 1 581 . 1 1 55 55 ASN CA C 13 50.412 0.3 . 1 . . . . 55 Asn CA . 16386 1 582 . 1 1 55 55 ASN CB C 13 39.150 0.3 . 1 . . . . 55 Asn CB . 16386 1 583 . 1 1 55 55 ASN N N 15 119.583 0.3 . 1 . . . . 55 Asn N . 16386 1 584 . 1 1 55 55 ASN ND2 N 15 110.228 0.3 . 1 . . . . 55 Asn ND2 . 16386 1 585 . 1 1 56 56 PRO HA H 1 4.400 0.025 . 1 . . . . 56 Pro HA . 16386 1 586 . 1 1 56 56 PRO HB2 H 1 2.258 0.025 . 2 . . . . 56 Pro HB2 . 16386 1 587 . 1 1 56 56 PRO HB3 H 1 1.926 0.025 . 2 . . . . 56 Pro HB3 . 16386 1 588 . 1 1 56 56 PRO HD2 H 1 3.801 0.025 . 2 . . . . 56 Pro HD2 . 16386 1 589 . 1 1 56 56 PRO HD3 H 1 3.679 0.025 . 2 . . . . 56 Pro HD3 . 16386 1 590 . 1 1 56 56 PRO HG2 H 1 2.030 0.025 . 2 . . . . 56 Pro HG2 . 16386 1 591 . 1 1 56 56 PRO HG3 H 1 2.030 0.025 . 2 . . . . 56 Pro HG3 . 16386 1 592 . 1 1 56 56 PRO C C 13 176.686 0.3 . 1 . . . . 56 Pro C . 16386 1 593 . 1 1 56 56 PRO CA C 13 63.273 0.3 . 1 . . . . 56 Pro CA . 16386 1 594 . 1 1 56 56 PRO CB C 13 31.783 0.3 . 1 . . . . 56 Pro CB . 16386 1 595 . 1 1 56 56 PRO CD C 13 50.480 0.3 . 1 . . . . 56 Pro CD . 16386 1 596 . 1 1 56 56 PRO CG C 13 27.447 0.3 . 1 . . . . 56 Pro CG . 16386 1 597 . 1 1 57 57 CYS H H 1 7.831 0.025 . 1 . . . . 57 Cys H . 16386 1 598 . 1 1 57 57 CYS HA H 1 4.443 0.025 . 1 . . . . 57 Cys HA . 16386 1 599 . 1 1 57 57 CYS HB2 H 1 2.033 0.025 . 2 . . . . 57 Cys HB2 . 16386 1 600 . 1 1 57 57 CYS HB3 H 1 2.034 0.025 . 2 . . . . 57 Cys HB3 . 16386 1 601 . 1 1 57 57 CYS C C 13 173.881 0.3 . 1 . . . . 57 Cys C . 16386 1 602 . 1 1 57 57 CYS CA C 13 59.103 0.3 . 1 . . . . 57 Cys CA . 16386 1 603 . 1 1 57 57 CYS CB C 13 32.909 0.3 . 1 . . . . 57 Cys CB . 16386 1 604 . 1 1 57 57 CYS N N 15 119.502 0.3 . 1 . . . . 57 Cys N . 16386 1 605 . 1 1 59 59 PRO HA H 1 4.385 0.025 . 1 . . . . 59 Pro HA . 16386 1 606 . 1 1 59 59 PRO HB2 H 1 1.904 0.025 . 2 . . . . 59 Pro HB2 . 16386 1 607 . 1 1 59 59 PRO HB3 H 1 2.350 0.025 . 2 . . . . 59 Pro HB3 . 16386 1 608 . 1 1 59 59 PRO HD2 H 1 3.845 0.025 . 2 . . . . 59 Pro HD2 . 16386 1 609 . 1 1 59 59 PRO HD3 H 1 3.587 0.025 . 2 . . . . 59 Pro HD3 . 16386 1 610 . 1 1 59 59 PRO HG2 H 1 2.159 0.025 . 2 . . . . 59 Pro HG2 . 16386 1 611 . 1 1 59 59 PRO HG3 H 1 2.056 0.025 . 2 . . . . 59 Pro HG3 . 16386 1 612 . 1 1 59 59 PRO C C 13 177.996 0.3 . 1 . . . . 59 Pro C . 16386 1 613 . 1 1 59 59 PRO CA C 13 64.249 0.3 . 1 . . . . 59 Pro CA . 16386 1 614 . 1 1 59 59 PRO CB C 13 31.776 0.3 . 1 . . . . 59 Pro CB . 16386 1 615 . 1 1 59 59 PRO CD C 13 50.402 0.3 . 1 . . . . 59 Pro CD . 16386 1 616 . 1 1 59 59 PRO CG C 13 27.782 0.3 . 1 . . . . 59 Pro CG . 16386 1 617 . 1 1 60 60 GLY H H 1 8.761 0.025 . 1 . . . . 60 Gly H . 16386 1 618 . 1 1 60 60 GLY HA2 H 1 4.302 0.025 . 2 . . . . 60 Gly HA2 . 16386 1 619 . 1 1 60 60 GLY HA3 H 1 3.619 0.025 . 2 . . . . 60 Gly HA3 . 16386 1 620 . 1 1 60 60 GLY C C 13 173.861 0.3 . 1 . . . . 60 Gly C . 16386 1 621 . 1 1 60 60 GLY CA C 13 44.888 0.3 . 1 . . . . 60 Gly CA . 16386 1 622 . 1 1 60 60 GLY N N 15 112.485 0.3 . 1 . . . . 60 Gly N . 16386 1 623 . 1 1 61 61 TYR H H 1 8.522 0.025 . 1 . . . . 61 Tyr H . 16386 1 624 . 1 1 61 61 TYR HA H 1 5.083 0.025 . 1 . . . . 61 Tyr HA . 16386 1 625 . 1 1 61 61 TYR HB2 H 1 3.241 0.025 . 2 . . . . 61 Tyr HB2 . 16386 1 626 . 1 1 61 61 TYR HB3 H 1 2.543 0.025 . 2 . . . . 61 Tyr HB3 . 16386 1 627 . 1 1 61 61 TYR HD1 H 1 6.749 0.025 . 3 . . . . 61 Tyr HD1 . 16386 1 628 . 1 1 61 61 TYR HD2 H 1 6.746 0.025 . 3 . . . . 61 Tyr HD2 . 16386 1 629 . 1 1 61 61 TYR HE1 H 1 6.501 0.025 . 3 . . . . 61 Tyr HE1 . 16386 1 630 . 1 1 61 61 TYR HE2 H 1 6.500 0.025 . 3 . . . . 61 Tyr HE2 . 16386 1 631 . 1 1 61 61 TYR C C 13 174.910 0.3 . 1 . . . . 61 Tyr C . 16386 1 632 . 1 1 61 61 TYR CA C 13 56.152 0.3 . 1 . . . . 61 Tyr CA . 16386 1 633 . 1 1 61 61 TYR CB C 13 42.124 0.3 . 1 . . . . 61 Tyr CB . 16386 1 634 . 1 1 61 61 TYR CD1 C 13 132.833 0.3 . 3 . . . . 61 Tyr CD1 . 16386 1 635 . 1 1 61 61 TYR CD2 C 13 132.833 0.3 . 3 . . . . 61 Tyr CD2 . 16386 1 636 . 1 1 61 61 TYR CE1 C 13 118.207 0.3 . 3 . . . . 61 Tyr CE1 . 16386 1 637 . 1 1 61 61 TYR CE2 C 13 118.217 0.3 . 3 . . . . 61 Tyr CE2 . 16386 1 638 . 1 1 61 61 TYR N N 15 118.801 0.3 . 1 . . . . 61 Tyr N . 16386 1 639 . 1 1 62 62 GLU H H 1 9.129 0.025 . 1 . . . . 62 Glu H . 16386 1 640 . 1 1 62 62 GLU HA H 1 4.962 0.025 . 1 . . . . 62 Glu HA . 16386 1 641 . 1 1 62 62 GLU HB2 H 1 2.123 0.025 . 2 . . . . 62 Glu HB2 . 16386 1 642 . 1 1 62 62 GLU HB3 H 1 1.925 0.025 . 2 . . . . 62 Glu HB3 . 16386 1 643 . 1 1 62 62 GLU HG2 H 1 2.247 0.025 . 2 . . . . 62 Glu HG2 . 16386 1 644 . 1 1 62 62 GLU HG3 H 1 2.203 0.025 . 2 . . . . 62 Glu HG3 . 16386 1 645 . 1 1 62 62 GLU C C 13 173.115 0.3 . 1 . . . . 62 Glu C . 16386 1 646 . 1 1 62 62 GLU CA C 13 53.654 0.3 . 1 . . . . 62 Glu CA . 16386 1 647 . 1 1 62 62 GLU CB C 13 31.928 0.3 . 1 . . . . 62 Glu CB . 16386 1 648 . 1 1 62 62 GLU CG C 13 35.415 0.3 . 1 . . . . 62 Glu CG . 16386 1 649 . 1 1 62 62 GLU N N 15 118.016 0.3 . 1 . . . . 62 Glu N . 16386 1 650 . 1 1 63 63 PRO HA H 1 4.743 0.025 . 1 . . . . 63 Pro HA . 16386 1 651 . 1 1 63 63 PRO HB2 H 1 1.967 0.025 . 2 . . . . 63 Pro HB2 . 16386 1 652 . 1 1 63 63 PRO HB3 H 1 2.372 0.025 . 2 . . . . 63 Pro HB3 . 16386 1 653 . 1 1 63 63 PRO HD2 H 1 3.877 0.025 . 2 . . . . 63 Pro HD2 . 16386 1 654 . 1 1 63 63 PRO HD3 H 1 3.759 0.025 . 2 . . . . 63 Pro HD3 . 16386 1 655 . 1 1 63 63 PRO HG2 H 1 2.262 0.025 . 2 . . . . 63 Pro HG2 . 16386 1 656 . 1 1 63 63 PRO HG3 H 1 2.056 0.025 . 2 . . . . 63 Pro HG3 . 16386 1 657 . 1 1 63 63 PRO C C 13 177.040 0.3 . 1 . . . . 63 Pro C . 16386 1 658 . 1 1 63 63 PRO CA C 13 63.759 0.3 . 1 . . . . 63 Pro CA . 16386 1 659 . 1 1 63 63 PRO CB C 13 32.352 0.3 . 1 . . . . 63 Pro CB . 16386 1 660 . 1 1 63 63 PRO CD C 13 50.484 0.3 . 1 . . . . 63 Pro CD . 16386 1 661 . 1 1 63 63 PRO CG C 13 28.159 0.3 . 1 . . . . 63 Pro CG . 16386 1 662 . 1 1 64 64 ASP H H 1 8.595 0.025 . 1 . . . . 64 Asp H . 16386 1 663 . 1 1 64 64 ASP HA H 1 4.679 0.025 . 1 . . . . 64 Asp HA . 16386 1 664 . 1 1 64 64 ASP HB2 H 1 2.503 0.025 . 2 . . . . 64 Asp HB2 . 16386 1 665 . 1 1 64 64 ASP HB3 H 1 2.685 0.025 . 2 . . . . 64 Asp HB3 . 16386 1 666 . 1 1 64 64 ASP C C 13 175.960 0.3 . 1 . . . . 64 Asp C . 16386 1 667 . 1 1 64 64 ASP CA C 13 53.790 0.3 . 1 . . . . 64 Asp CA . 16386 1 668 . 1 1 64 64 ASP CB C 13 42.611 0.3 . 1 . . . . 64 Asp CB . 16386 1 669 . 1 1 64 64 ASP N N 15 122.807 0.3 . 1 . . . . 64 Asp N . 16386 1 670 . 1 1 65 65 ASP H H 1 8.437 0.025 . 1 . . . . 65 Asp H . 16386 1 671 . 1 1 65 65 ASP HA H 1 4.701 0.025 . 1 . . . . 65 Asp HA . 16386 1 672 . 1 1 65 65 ASP HB2 H 1 2.727 0.025 . 2 . . . . 65 Asp HB2 . 16386 1 673 . 1 1 65 65 ASP HB3 H 1 2.705 0.025 . 2 . . . . 65 Asp HB3 . 16386 1 674 . 1 1 65 65 ASP C C 13 176.412 0.3 . 1 . . . . 65 Asp C . 16386 1 675 . 1 1 65 65 ASP CA C 13 54.043 0.3 . 1 . . . . 65 Asp CA . 16386 1 676 . 1 1 65 65 ASP CB C 13 41.279 0.3 . 1 . . . . 65 Asp CB . 16386 1 677 . 1 1 65 65 ASP N N 15 124.473 0.3 . 1 . . . . 65 Asp N . 16386 1 678 . 1 1 66 66 GLN H H 1 8.316 0.025 . 1 . . . . 66 Gln H . 16386 1 679 . 1 1 66 66 GLN HA H 1 4.290 0.025 . 1 . . . . 66 Gln HA . 16386 1 680 . 1 1 66 66 GLN HB2 H 1 2.148 0.025 . 2 . . . . 66 Gln HB2 . 16386 1 681 . 1 1 66 66 GLN HB3 H 1 2.072 0.025 . 2 . . . . 66 Gln HB3 . 16386 1 682 . 1 1 66 66 GLN HE21 H 1 7.774 0.025 . 2 . . . . 66 Gln HE21 . 16386 1 683 . 1 1 66 66 GLN HE22 H 1 6.870 0.025 . 2 . . . . 66 Gln HE22 . 16386 1 684 . 1 1 66 66 GLN HG2 H 1 2.385 0.025 . 2 . . . . 66 Gln HG2 . 16386 1 685 . 1 1 66 66 GLN HG3 H 1 2.338 0.025 . 2 . . . . 66 Gln HG3 . 16386 1 686 . 1 1 66 66 GLN C C 13 175.877 0.3 . 1 . . . . 66 Gln C . 16386 1 687 . 1 1 66 66 GLN CA C 13 55.992 0.3 . 1 . . . . 66 Gln CA . 16386 1 688 . 1 1 66 66 GLN CB C 13 29.565 0.3 . 1 . . . . 66 Gln CB . 16386 1 689 . 1 1 66 66 GLN CG C 13 34.175 0.3 . 1 . . . . 66 Gln CG . 16386 1 690 . 1 1 66 66 GLN N N 15 120.317 0.3 . 1 . . . . 66 Gln N . 16386 1 691 . 1 1 66 66 GLN NE2 N 15 113.680 0.3 . 1 . . . . 66 Gln NE2 . 16386 1 692 . 1 1 67 67 ASP H H 1 8.438 0.025 . 1 . . . . 67 Asp H . 16386 1 693 . 1 1 67 67 ASP HA H 1 4.619 0.025 . 1 . . . . 67 Asp HA . 16386 1 694 . 1 1 67 67 ASP HB2 H 1 2.644 0.025 . 2 . . . . 67 Asp HB2 . 16386 1 695 . 1 1 67 67 ASP HB3 H 1 2.711 0.025 . 2 . . . . 67 Asp HB3 . 16386 1 696 . 1 1 67 67 ASP C C 13 176.300 0.3 . 1 . . . . 67 Asp C . 16386 1 697 . 1 1 67 67 ASP CA C 13 54.535 0.3 . 1 . . . . 67 Asp CA . 16386 1 698 . 1 1 67 67 ASP CB C 13 41.210 0.3 . 1 . . . . 67 Asp CB . 16386 1 699 . 1 1 67 67 ASP N N 15 121.942 0.3 . 1 . . . . 67 Asp N . 16386 1 700 . 1 1 68 68 SER H H 1 8.274 0.025 . 1 . . . . 68 Ser H . 16386 1 701 . 1 1 68 68 SER HA H 1 4.476 0.025 . 1 . . . . 68 Ser HA . 16386 1 702 . 1 1 68 68 SER HB2 H 1 3.869 0.025 . 2 . . . . 68 Ser HB2 . 16386 1 703 . 1 1 68 68 SER HB3 H 1 3.869 0.025 . 2 . . . . 68 Ser HB3 . 16386 1 704 . 1 1 68 68 SER C C 13 174.516 0.3 . 1 . . . . 68 Ser C . 16386 1 705 . 1 1 68 68 SER CA C 13 58.615 0.3 . 1 . . . . 68 Ser CA . 16386 1 706 . 1 1 68 68 SER CB C 13 63.911 0.3 . 1 . . . . 68 Ser CB . 16386 1 707 . 1 1 68 68 SER N N 15 116.099 0.3 . 1 . . . . 68 Ser N . 16386 1 708 . 1 1 69 69 CYS H H 1 8.589 0.025 . 1 . . . . 69 Cys H . 16386 1 709 . 1 1 69 69 CYS HA H 1 4.719 0.025 . 1 . . . . 69 Cys HA . 16386 1 710 . 1 1 69 69 CYS HB2 H 1 3.241 0.025 . 2 . . . . 69 Cys HB2 . 16386 1 711 . 1 1 69 69 CYS HB3 H 1 3.050 0.025 . 2 . . . . 69 Cys HB3 . 16386 1 712 . 1 1 69 69 CYS C C 13 174.437 0.3 . 1 . . . . 69 Cys C . 16386 1 713 . 1 1 69 69 CYS CA C 13 55.620 0.3 . 1 . . . . 69 Cys CA . 16386 1 714 . 1 1 69 69 CYS CB C 13 40.727 0.3 . 1 . . . . 69 Cys CB . 16386 1 715 . 1 1 69 69 CYS N N 15 120.951 0.3 . 1 . . . . 69 Cys N . 16386 1 716 . 1 1 70 70 VAL H H 1 8.150 0.025 . 1 . . . . 70 Val H . 16386 1 717 . 1 1 70 70 VAL HA H 1 4.193 0.025 . 1 . . . . 70 Val HA . 16386 1 718 . 1 1 70 70 VAL HB H 1 2.112 0.025 . 1 . . . . 70 Val HB . 16386 1 719 . 1 1 70 70 VAL HG11 H 1 0.927 0.025 . 2 . . . . 70 Val HG1 . 16386 1 720 . 1 1 70 70 VAL HG12 H 1 0.927 0.025 . 2 . . . . 70 Val HG1 . 16386 1 721 . 1 1 70 70 VAL HG13 H 1 0.927 0.025 . 2 . . . . 70 Val HG1 . 16386 1 722 . 1 1 70 70 VAL HG21 H 1 0.893 0.025 . 2 . . . . 70 Val HG2 . 16386 1 723 . 1 1 70 70 VAL HG22 H 1 0.893 0.025 . 2 . . . . 70 Val HG2 . 16386 1 724 . 1 1 70 70 VAL HG23 H 1 0.893 0.025 . 2 . . . . 70 Val HG2 . 16386 1 725 . 1 1 70 70 VAL C C 13 174.771 0.3 . 1 . . . . 70 Val C . 16386 1 726 . 1 1 70 70 VAL CA C 13 62.021 0.3 . 1 . . . . 70 Val CA . 16386 1 727 . 1 1 70 70 VAL CB C 13 33.168 0.3 . 1 . . . . 70 Val CB . 16386 1 728 . 1 1 70 70 VAL CG1 C 13 21.353 0.3 . 2 . . . . 70 Val CG1 . 16386 1 729 . 1 1 70 70 VAL CG2 C 13 20.144 0.3 . 2 . . . . 70 Val CG2 . 16386 1 730 . 1 1 70 70 VAL N N 15 120.979 0.3 . 1 . . . . 70 Val N . 16386 1 731 . 1 1 71 71 ASP H H 1 7.987 0.025 . 1 . . . . 71 Asp H . 16386 1 732 . 1 1 71 71 ASP HA H 1 4.374 0.025 . 1 . . . . 71 Asp HA . 16386 1 733 . 1 1 71 71 ASP HB2 H 1 2.648 0.025 . 2 . . . . 71 Asp HB2 . 16386 1 734 . 1 1 71 71 ASP HB3 H 1 2.554 0.025 . 2 . . . . 71 Asp HB3 . 16386 1 735 . 1 1 71 71 ASP C C 13 180.821 0.3 . 1 . . . . 71 Asp C . 16386 1 736 . 1 1 71 71 ASP CA C 13 55.983 0.3 . 1 . . . . 71 Asp CA . 16386 1 737 . 1 1 71 71 ASP CB C 13 42.374 0.3 . 1 . . . . 71 Asp CB . 16386 1 738 . 1 1 71 71 ASP N N 15 129.255 0.3 . 1 . . . . 71 Asp N . 16386 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 16386 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 9 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 8.802 25.044 0.293 193984 6.504 25.027 0.293 335155 9.244 25.039 0.294 132600 0.502 25.039 0.295 1187736 0.295 25.039 0.295 92602016 1.295 25.039 0.295 540267 1.120 25.039 0.295 2081428 4.437 25.039 0.295 283808 1.528 25.052 0.295 843309 2.929 25.017 0.296 596684 1.783 25.048 0.296 630857 0.828 25.020 0.296 1032340 3.624 25.071 0.297 267325 9.177 25.039 0.297 117019 6.759 24.987 0.301 160086 8.261 24.427 0.495 116159 1.784 24.419 0.498 429225 2.921 24.473 0.500 337176 0.502 24.389 0.502 109835880 0.295 24.389 0.502 2014838 1.295 24.389 0.502 618995 1.120 24.389 0.502 1403982 4.437 24.389 0.502 980185 9.142 24.454 0.503 155519 8.805 24.375 0.503 279156 1.522 24.476 0.505 315668 9.231 24.389 0.505 143275 6.498 24.409 0.506 241665 3.597 24.457 0.506 283176 2.060 23.407 0.807 344505 0.878 23.412 0.815 33752644 0.815 23.412 0.815 198750160 1.520 23.412 0.815 1233008 1.566 23.412 0.815 487969 1.476 23.412 0.815 1409708 4.242 23.412 0.815 1149831 6.942 25.735 0.815 174650 4.477 24.682 0.821 248462 2.686 14.380 0.821 317450 8.482 12.910 0.822 321089 3.271 12.870 0.822 219566 2.187 26.030 0.822 191092 2.184 13.097 0.823 301857 0.824 25.857 0.824 108023944 1.557 25.857 0.824 1786773 1.619 25.857 0.824 1383481 1.386 25.857 0.824 1515630 4.891 25.857 0.824 563925 4.410 24.468 0.824 249332 0.283 25.884 0.824 665688 2.504 14.362 0.824 575682 0.825 14.350 0.825 61250672 1.418 14.350 0.825 1383783 1.173 14.350 0.825 1642389 2.039 14.350 0.825 1208608 1.038 14.350 0.825 1840731 5.483 14.350 0.825 224556 3.151 25.944 0.825 168218 2.016 25.891 0.825 1114039 1.806 25.949 0.825 578431 2.229 14.360 0.825 333999 0.826 12.715 0.826 135064976 1.447 12.715 0.826 1624518 1.152 12.715 0.826 1079539 1.833 12.715 0.826 712205 0.874 12.715 0.826 44510868 4.141 12.715 0.826 171889 2.198 24.656 0.826 183863 1.808 24.497 0.826 485256 4.583 25.840 0.826 1110590 3.836 25.763 0.826 435894 3.607 25.898 0.826 1260558 2.923 25.904 0.826 672275 8.264 12.715 0.826 263670 3.042 12.692 0.827 203795 9.177 24.465 0.827 242415 8.460 14.339 0.828 264615 4.677 14.350 0.828 343989 0.829 12.885 0.829 190217696 1.458 12.885 0.829 2437119 1.125 12.885 0.829 2270023 1.884 12.885 0.829 1079947 4.472 12.885 0.829 179885 4.472 12.885 0.829 179885 8.842 24.465 0.829 159916 5.700 24.603 0.829 489630 2.910 24.467 0.829 499275 0.283 24.546 0.830 567250 2.416 25.914 0.830 255192 4.987 14.369 0.830 146378 2.955 14.293 0.830 216682 0.824 24.465 0.831 106949472 1.557 24.465 0.831 2705878 1.619 24.465 0.831 1682905 1.386 24.465 0.831 864000 9.371 24.465 0.831 248847 4.891 24.465 0.831 1232932 6.870 12.653 0.831 138107 5.644 12.666 0.831 381769 4.671 12.642 0.831 348963 4.563 12.746 0.831 204972 3.592 24.509 0.831 975615 6.896 14.271 0.831 144564 7.858 12.816 0.832 258733 4.172 24.665 0.832 205138 3.809 24.581 0.832 431677 2.014 24.493 0.832 839416 10.003 14.391 0.833 276985 5.748 14.574 0.833 373247 8.097 14.350 0.833 182652 8.085 12.811 0.834 224425 3.629 12.707 0.834 188754 1.886 24.573 0.834 321437 6.776 14.554 0.834 194253 7.462 12.621 0.836 291244 2.713 24.640 0.837 214763 4.307 12.787 0.838 232324 4.674 23.364 0.850 300966 4.804 23.349 0.852 278288 7.943 23.511 0.857 210041 0.858 23.355 0.858 164418512 0.926 23.355 0.858 34227216 1.637 23.355 0.858 3668649 1.583 23.355 0.858 2274497 1.705 23.355 0.858 1481902 4.361 23.355 0.858 1999894 2.802 23.244 0.860 154266 6.973 23.321 0.861 291990 8.548 23.489 0.864 279792 7.248 23.328 0.864 640344 2.987 23.262 0.865 272194 8.932 47.340 0.866 228599 2.011 23.266 0.868 360304 6.215 24.830 0.872 253270 0.874 17.530 0.874 196289008 1.833 17.530 0.874 2938217 0.826 17.530 0.874 160305216 4.141 17.530 0.874 1137993 8.264 17.530 0.874 302699 1.447 17.530 0.874 1303282 1.152 17.530 0.874 1730394 4.114 24.913 0.875 255158 2.722 25.026 0.877 209372 0.878 24.931 0.878 199597136 0.815 24.931 0.878 25498520 1.520 24.931 0.878 1371570 1.566 24.931 0.878 874765 1.476 24.931 0.878 1256150 3.630 24.787 0.880 193982 4.662 24.992 0.882 239885 5.599 25.061 0.884 178476 4.635 17.451 0.886 208269 4.263 21.333 0.887 486284 7.966 20.029 0.887 206894 4.598 25.013 0.887 253165 3.348 20.309 0.888 437992 8.315 21.060 0.888 326853 8.503 17.465 0.889 160618 7.615 21.219 0.889 206277 6.389 21.294 0.889 104378 3.214 19.941 0.890 346579 2.222 17.343 0.892 217822 3.600 21.098 0.892 295562 0.927 20.144 0.893 178579344 0.893 20.144 0.893 259095296 2.112 20.144 0.893 2268471 4.193 20.144 0.893 926080 8.150 20.144 0.893 1151760 0.924 21.173 0.894 135294416 0.894 21.173 0.894 220246432 2.033 21.173 0.894 2569413 4.060 21.173 0.894 1389360 8.083 21.173 0.894 125341 3.905 20.175 0.895 268748 0.896 17.422 0.896 140259584 1.884 17.422 0.896 2809296 0.829 17.422 0.896 86338728 4.472 17.422 0.896 1228788 7.827 17.422 0.896 334346 1.458 17.422 0.896 1072937 1.125 17.422 0.896 1751089 2.696 20.282 0.898 487096 8.563 17.336 0.899 192741 9.169 20.356 0.900 235729 3.649 20.178 0.901 418196 3.667 17.392 0.901 820368 9.177 21.062 0.902 267906 3.882 17.367 0.903 610491 7.260 20.313 0.904 269133 7.832 20.269 0.906 576002 0.917 20.311 0.908 247434016 0.940 20.311 0.910 247434016 1.567 20.803 0.912 316008 4.431 20.311 0.913 718381 5.945 20.924 0.914 222283 5.532 20.675 0.914 540349 7.387 20.704 0.915 364488 5.753 21.273 0.915 160211 2.234 25.005 0.916 180604 2.397 21.132 0.916 248323 3.948 21.226 0.919 264809 2.653 21.118 0.919 471542 1.895 21.061 0.919 452302 7.419 21.279 0.920 309879 2.778 20.929 0.921 381262 4.450 21.102 0.921 408203 0.924 20.582 0.924 274977856 0.924 21.073 0.924 341429248 0.894 20.871 0.924 195680544 0.924 20.582 0.924 274977856 0.924 21.073 0.924 341429248 0.924 20.871 0.924 292141152 2.075 20.582 0.924 1364062 4.090 20.582 0.924 538183 8.197 20.582 0.924 538097 8.270 20.582 0.924 386350 8.197 21.073 0.924 254601 8.083 20.871 0.924 377955 8.585 20.311 0.924 163989 1.374 20.852 0.925 536552 5.510 21.284 0.925 304223 4.042 21.246 0.925 486645 1.197 21.005 0.925 472830 0.858 25.047 0.926 16293877 0.926 25.047 0.926 173516272 1.637 25.047 0.926 3002300 1.583 25.047 0.926 2307919 1.705 25.047 0.926 1979924 8.372 25.047 0.926 162739 4.361 25.047 0.926 614693 2.073 25.187 0.926 191031 0.893 21.353 0.927 221791920 0.927 21.353 0.927 329628896 8.150 21.353 0.927 503200 5.403 20.851 0.927 872840 4.685 25.091 0.927 175842 5.093 21.308 0.927 194864 2.818 25.128 0.928 256992 1.115 21.239 0.928 643547 7.645 20.347 0.928 301345 4.297 20.890 0.929 504240 1.891 25.218 0.929 222986 4.694 21.237 0.929 421798 5.672 20.532 0.930 420445 5.667 21.274 0.930 325418 2.310 21.273 0.930 416367 3.201 20.978 0.931 332120 2.497 21.271 0.931 321075 3.417 21.067 0.932 428849 5.377 21.483 0.933 394721 3.188 20.290 0.934 399352 4.930 21.106 0.944 132045 0.924 21.106 0.947 211541408 0.947 21.106 0.947 211541408 8.585 21.106 0.947 67764 3.629 21.125 0.948 635134 2.024 21.120 0.949 2104174 4.432 21.097 0.952 755609 4.685 18.625 1.036 265878 9.163 18.625 1.037 145475 1.038 18.625 1.038 45384572 2.039 18.625 1.038 1726838 0.825 18.625 1.038 1473703 5.483 18.625 1.038 975786 10.001 18.625 1.038 570327 1.418 18.625 1.038 653918 1.173 18.625 1.038 1193655 2.958 18.669 1.039 1112264 6.064 18.663 1.040 258260 2.694 18.688 1.040 536679 2.489 18.674 1.040 1415732 2.217 18.659 1.040 472293 6.886 18.670 1.041 157483 5.285 18.627 1.041 183780 8.588 18.625 1.041 177727 4.430 18.721 1.047 131275 2.218 25.961 1.104 182028 5.083 25.987 1.108 222868 8.789 25.987 1.108 124583 1.305 25.987 1.108 1430435 1.108 25.987 1.108 4054705 2.072 25.987 1.108 331821 1.431 25.987 1.108 635390 1.558 25.987 1.108 355077 1.442 25.987 1.108 635390 9.132 25.987 1.108 144824 6.819 25.987 1.108 55982 2.484 26.023 1.109 336138 0.294 25.990 1.109 452165 9.227 26.468 1.112 170799 1.295 26.468 1.112 1524172 1.120 26.468 1.112 16582515 0.502 26.468 1.112 574821 0.295 26.468 1.112 619929 4.437 26.468 1.112 442128 6.505 26.510 1.113 237598 0.834 46.402 1.118 346676 2.928 46.402 1.119 329743 1.120 46.334 1.120 9108152 4.437 46.334 1.120 654584 0.502 46.334 1.120 253361 1.295 46.334 1.120 3263987 9.227 46.334 1.120 306221 0.295 46.334 1.120 824264 8.801 46.334 1.120 333942 3.867 26.952 1.122 117362 1.882 26.813 1.124 512812 0.896 26.796 1.125 1395336 0.829 26.796 1.125 1711327 1.125 26.796 1.125 15541292 1.458 26.796 1.125 3985143 7.826 26.822 1.126 438557 2.704 19.637 1.149 224359 1.879 19.571 1.150 523655 1.151 19.570 1.151 69152672 8.089 19.570 1.151 643344 4.233 19.570 1.151 2871319 8.725 19.570 1.151 498174 7.810 19.571 1.151 145641 6.833 19.599 1.151 527119 4.812 19.574 1.151 400573 4.059 19.604 1.151 249471 2.476 19.634 1.151 204921 4.136 27.324 1.151 295549 6.833 19.599 1.151 527119 1.558 19.570 1.151 194733 0.874 27.236 1.152 1250062 0.826 27.236 1.152 1619194 1.152 27.236 1.152 26888828 1.447 27.236 1.152 4996590 2.222 19.593 1.152 492897 8.257 27.269 1.152 250469 3.881 21.825 1.153 186125 2.994 19.590 1.154 222645 1.156 21.755 1.156 114596928 4.221 21.755 1.156 2547340 4.332 21.755 1.156 1750019 8.018 21.755 1.156 453774 8.242 19.522 1.157 165474 7.820 21.840 1.159 296517 2.041 26.322 1.168 208637 2.502 26.482 1.170 134625 4.682 26.283 1.172 167620 1.038 26.436 1.173 394452 0.825 26.436 1.173 572912 1.173 26.436 1.173 3316564 1.418 26.436 1.173 828054 9.990 26.348 1.175 255878 7.350 38.538 1.272 151138 5.083 38.492 1.274 67943 2.831 38.549 1.277 1324960 1.275 38.543 1.277 1301584 4.906 38.565 1.278 357248 6.519 38.552 1.280 141912 1.295 46.334 1.295 8551456 9.227 46.334 1.295 178181 4.437 46.334 1.295 923693 0.295 46.334 1.295 607692 0.502 46.334 1.295 687953 1.120 46.334 1.295 5336139 8.801 46.334 1.295 406838 2.940 46.355 1.296 247854 0.826 46.375 1.296 338241 2.482 25.976 1.303 236889 5.083 25.987 1.305 319684 1.108 25.987 1.305 1431368 1.305 25.987 1.305 1782110 1.431 25.987 1.305 780893 2.072 25.987 1.305 327390 1.558 25.987 1.305 316808 1.442 25.987 1.305 780893 9.132 25.987 1.305 161581 6.818 25.987 1.305 84467 2.958 25.983 1.306 282795 2.213 25.949 1.308 250084 2.698 25.988 1.310 143340 6.882 26.007 1.311 194523 7.515 19.237 1.341 258100 2.992 24.764 1.342 358051 4.027 24.715 1.343 394794 8.246 24.715 1.343 139471 1.420 24.715 1.343 9089239 1.343 24.715 1.343 11919472 1.797 24.715 1.343 1114090 1.680 24.715 1.343 986244 0.891 19.204 1.344 419335 1.347 19.250 1.347 273565216 8.178 19.250 1.347 1047406 4.280 19.250 1.347 3661747 8.083 19.250 1.347 585105 3.200 19.137 1.347 219866 4.028 19.406 1.349 256350 2.014 19.359 1.351 484261 1.359 19.211 1.359 273565216 8.301 19.211 1.359 816101 4.241 19.211 1.359 3877080 8.165 19.211 1.359 1172922 6.826 19.422 1.379 292337 2.414 44.568 1.379 179417 4.546 44.701 1.380 179294 2.038 44.653 1.383 614153 3.835 19.307 1.384 380474 5.733 44.695 1.384 165611 1.386 44.633 1.386 4506412 4.891 44.633 1.386 425342 0.824 44.633 1.386 1028250 1.619 44.633 1.386 4180657 9.371 44.633 1.386 594228 0.831 44.633 1.386 1209890 1.933 44.532 1.388 284502 3.822 44.658 1.389 301990 0.840 19.181 1.390 807863 1.391 19.358 1.391 162199616 8.353 19.358 1.391 804294 4.307 19.358 1.391 3019935 8.178 19.358 1.391 252123 2.039 19.313 1.391 518409 3.580 44.712 1.392 200379 0.825 26.436 1.418 485460 1.418 26.436 1.418 2212166 1.173 26.436 1.418 455080 2.990 24.746 1.418 388326 1.038 26.436 1.418 136292 4.027 24.715 1.420 428006 8.246 24.715 1.420 142042 1.343 24.715 1.420 11374378 1.420 24.715 1.420 14372154 1.797 24.715 1.420 1194083 1.680 24.715 1.420 1184105 2.012 26.345 1.421 136408 4.615 34.952 1.424 102558 1.431 35.053 1.431 2185002 5.083 35.053 1.431 429361 1.108 35.053 1.431 463717 1.305 35.053 1.431 468590 1.442 35.053 1.431 2185002 2.072 35.053 1.431 1668029 8.789 35.053 1.431 488065 1.558 35.053 1.431 295839 5.100 30.089 1.431 124822 3.007 35.147 1.432 146092 2.706 35.110 1.433 345528 2.497 35.104 1.433 160306 1.442 29.907 1.442 4030702 1.558 29.907 1.442 2005348 1.431 29.907 1.442 4030702 2.072 29.907 1.442 331208 1.108 29.907 1.442 498133 1.305 29.907 1.442 599565 2.215 29.907 1.442 344729 2.479 29.907 1.442 316098 0.874 27.236 1.447 1193512 0.826 27.236 1.447 1579627 1.447 27.236 1.447 31225542 1.152 27.236 1.447 4950008 8.248 27.326 1.448 286918 4.139 27.319 1.456 223930 0.896 26.796 1.458 1228535 0.829 26.796 1.458 1669538 1.458 26.796 1.458 11409852 1.125 26.796 1.458 3965561 1.881 26.880 1.461 979389 7.825 26.804 1.463 384842 4.449 26.792 1.463 351736 1.476 42.030 1.476 19123586 4.242 42.030 1.476 563324 0.878 42.030 1.476 725156 1.566 42.030 1.476 10228489 8.188 42.030 1.476 254406 0.815 42.030 1.476 384057 8.188 26.874 1.520 244281 1.566 26.874 1.520 11409789 1.476 26.874 1.520 18298800 0.815 26.874 1.520 361804 0.878 26.874 1.520 26714 3.607 27.598 1.539 445339 5.079 30.023 1.551 105584 0.297 27.779 1.556 239822 9.371 27.763 1.557 193405 1.619 27.763 1.557 6520428 1.386 27.763 1.557 1492240 0.824 27.763 1.557 1414536 0.831 27.763 1.557 1576796 4.891 27.763 1.557 293952 1.558 29.907 1.558 3529972 1.442 29.907 1.558 2613850 1.431 29.907 1.558 2613850 2.072 29.907 1.558 425252 1.108 29.907 1.558 531412 1.305 29.907 1.558 451729 2.215 29.907 1.558 315886 2.479 29.907 1.558 433937 1.151 29.907 1.558 447114 2.697 30.052 1.559 261291 0.847 30.069 1.559 220424 2.035 27.799 1.564 235213 3.834 27.785 1.565 159797 1.566 42.030 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4.242 332890 1.566 55.501 4.242 590463 1.476 55.501 4.242 1011297 1.520 55.501 4.242 923750 0.815 55.501 4.242 761245 8.418 55.501 4.242 234308 1.999 52.888 4.242 183832 0.887 53.142 4.245 198727 3.741 55.389 4.251 159102 4.070 55.436 4.255 872960 3.914 55.323 4.259 172110 4.266 55.582 4.266 34008388 8.165 55.582 4.266 199884 2.016 55.582 4.266 1037007 1.897 55.582 4.266 507911 2.295 55.582 4.266 502699 8.395 55.582 4.266 330604 0.914 52.411 4.272 299450 4.280 52.480 4.280 46271064 8.178 52.480 4.280 504388 1.347 52.480 4.280 3565576 8.083 52.480 4.280 2033075 1.336 55.954 4.280 109192 4.281 56.925 4.281 30112176 8.453 56.925 4.281 655202 1.951 56.925 4.281 924329 2.069 56.925 4.281 1028676 2.272 56.925 4.281 781421 2.224 56.925 4.281 883740 8.519 56.925 4.281 1000567 1.139 56.877 4.288 218404 4.290 55.992 4.290 24100622 8.316 55.992 4.290 1008790 2.148 55.992 4.290 1843836 2.072 55.992 4.290 1678421 2.385 55.992 4.290 769400 2.338 55.992 4.290 1013760 8.438 55.992 4.290 1519039 1.688 56.881 4.290 163019 0.850 57.105 4.292 133298 2.705 55.954 4.295 237800 8.499 44.907 4.301 242702 4.302 44.888 4.302 5717598 8.761 44.888 4.302 411832 3.618 44.896 4.305 4354093 4.307 52.515 4.307 30698104 8.353 52.515 4.307 188651 1.391 52.515 4.307 2772432 8.178 52.515 4.307 809880 6.759 44.856 4.309 131791 0.882 61.805 4.327 183937 4.332 61.745 4.332 21687262 8.018 61.745 4.332 488725 4.221 61.745 4.332 2297986 1.156 61.745 4.332 1730569 7.827 61.745 4.332 1604427 1.481 61.851 4.332 140071 1.885 61.847 4.334 196688 2.046 61.794 4.336 169860 1.361 63.619 4.346 203008 1.432 63.476 4.347 123118 4.061 63.705 4.349 259066 1.152 63.603 4.349 141243 0.904 63.702 4.350 174467 4.351 63.599 4.351 18266076 2.298 63.599 4.351 2416065 1.874 63.599 4.351 1333404 2.047 63.599 4.351 492051 2.047 63.599 4.351 492051 3.868 63.599 4.351 378219 3.639 63.599 4.351 146133 8.555 63.599 4.351 1850187 4.353 63.194 4.353 25632874 2.292 63.194 4.353 1901061 1.930 63.194 4.353 881652 2.023 63.194 4.353 690755 2.023 63.194 4.353 690755 8.301 63.194 4.353 908470 1.606 55.954 4.362 1132504 3.643 63.044 4.363 138226 0.873 55.954 4.364 1375226 3.978 63.485 4.367 150044 4.374 55.983 4.374 67834224 7.987 55.983 4.374 1141686 2.648 55.983 4.374 1520810 2.554 55.983 4.374 1124431 1.377 55.954 4.375 359099 4.378 56.278 4.378 52167936 8.406 56.278 4.378 204017 1.933 56.278 4.378 520815 2.103 56.278 4.378 881162 2.259 56.278 4.378 538867 8.284 56.278 4.378 379298 4.100 56.278 4.378 463426 4.099 56.278 4.378 463426 2.380 55.954 4.379 297372 4.385 64.249 4.385 6808534 1.904 64.249 4.385 740873 2.350 64.249 4.385 1523394 2.159 64.249 4.385 314988 2.056 64.249 4.385 674948 3.845 64.249 4.385 576598 3.582 64.249 4.385 355155 8.761 64.249 4.385 1110255 4.302 64.249 4.385 322479 3.619 64.249 4.385 231585 3.222 64.431 4.386 152423 0.819 58.136 4.388 152672 4.389 58.238 4.389 23461042 8.318 58.238 4.389 884439 3.831 58.238 4.389 1762521 8.353 58.238 4.389 839473 8.521 64.368 4.389 432099 4.778 64.368 4.389 270511 1.809 58.213 4.391 144733 4.025 64.220 4.393 102443 2.014 58.187 4.394 288870 2.994 56.098 4.394 272949 1.379 58.375 4.395 242738 3.091 63.439 4.395 234852 8.646 63.229 4.399 1012226 4.400 63.273 4.400 48698672 2.258 63.273 4.400 3557553 1.926 63.273 4.400 1393384 2.030 63.273 4.400 642087 2.030 63.273 4.400 642087 3.801 63.273 4.400 190214 3.682 63.273 4.400 318465 7.831 63.273 4.400 1601339 3.530 63.310 4.400 174533 1.625 58.406 4.402 167703 4.009 63.465 4.402 178079 2.903 63.252 4.407 209862 4.411 45.377 4.411 4827532 8.412 45.434 4.412 215595 8.092 45.409 4.413 201147 3.679 45.400 4.415 3940580 4.437 53.999 4.437 10526029 9.227 53.999 4.437 431603 1.295 53.999 4.437 949912 1.120 53.999 4.437 1196199 1.112 53.999 4.437 1196199 0.502 53.999 4.437 1025558 0.295 53.999 4.437 238770 8.801 53.999 4.437 2334534 4.438 59.190 4.438 25441498 0.924 59.190 4.438 1594208 0.947 59.190 4.438 1594208 6.868 54.036 4.438 399260 4.443 59.103 4.443 25441498 7.831 59.103 4.443 539776 2.033 59.103 4.443 702486 2.034 59.103 4.443 702486 0.831 59.103 4.443 743812 0.824 59.103 4.443 210018 3.646 59.146 4.446 2179884 3.867 59.124 4.447 3080766 4.277 59.077 4.452 436821 1.463 58.955 4.453 307536 1.885 58.989 4.456 963501 1.135 58.951 4.456 563773 4.461 44.602 4.461 3200087 8.418 44.602 4.461 476989 3.742 44.591 4.466 2818801 8.259 44.625 4.468 947709 2.701 58.545 4.471 152892 4.472 58.355 4.472 17217482 0.829 58.355 4.472 115378 0.896 58.355 4.472 161899 4.476 58.615 4.476 23178672 8.274 58.615 4.476 506524 3.869 58.615 4.476 2592094 3.869 58.615 4.476 2592094 8.589 58.615 4.476 932628 4.211 62.735 4.477 259331 4.478 62.730 4.478 9337214 1.856 62.730 4.478 755288 2.343 62.730 4.478 1818854 2.027 62.730 4.478 1194943 2.027 62.730 4.478 1194943 3.815 62.730 4.478 171724 3.569 62.730 4.478 169819 8.856 62.730 4.478 2052104 1.370 62.763 4.480 150605 1.714 62.718 4.481 320568 1.632 62.700 4.482 305323 2.180 62.802 4.488 387444 0.806 62.931 4.543 145871 4.547 62.997 4.547 17977192 2.172 62.997 4.547 2041867 1.992 62.997 4.547 1523978 2.073 62.997 4.547 699212 1.897 62.997 4.547 371009 3.897 62.997 4.547 343403 3.899 62.997 4.547 343403 8.189 62.997 4.547 573473 5.963 55.205 4.548 203730 2.797 63.090 4.551 224497 1.369 63.063 4.552 143977 0.480 54.281 4.553 167911 4.555 55.213 4.555 9713567 8.027 55.213 4.555 465539 2.287 55.213 4.555 717315 1.565 55.213 4.555 504216 2.172 55.213 4.555 632362 2.038 55.213 4.555 1070273 8.943 55.213 4.555 961183 3.145 55.293 4.555 200249 3.109 63.064 4.555 202676 1.687 55.316 4.557 615060 4.562 54.218 4.562 36575944 2.601 54.218 4.562 1362104 2.657 54.218 4.562 1220399 8.188 54.218 4.562 1089286 4.269 54.066 4.563 456284 2.272 54.040 4.569 190584 2.723 55.181 4.571 297893 1.383 54.082 4.572 163133 1.551 54.019 4.573 232093 4.574 53.900 4.574 10797346 8.189 53.900 4.574 568469 3.121 53.900 4.574 761962 2.762 53.900 4.574 713841 3.625 53.950 4.582 1878581 1.770 53.857 4.582 248179 0.828 53.943 4.582 852912 4.584 55.183 4.584 10779572 8.943 55.183 4.584 705570 2.050 55.183 4.584 1167312 1.901 55.183 4.584 814380 2.415 55.183 4.584 508939 8.789 55.183 4.584 1974403 2.932 54.032 4.585 1190192 8.773 56.165 4.591 146254 1.407 55.023 4.591 178737 0.818 56.121 4.600 206557 4.605 56.068 4.605 15443149 8.519 56.068 4.605 484534 3.198 56.068 4.605 1236253 3.059 56.068 4.605 1098910 8.372 56.068 4.605 1435587 4.619 54.535 4.619 22205380 8.438 54.535 4.619 588188 2.644 54.535 4.619 1405402 2.711 54.535 4.619 1509683 8.274 54.535 4.619 1256579 5.357 56.049 4.628 371040 4.636 55.920 4.636 37940112 8.418 55.920 4.636 257122 3.247 55.920 4.636 812760 3.137 55.920 4.636 558955 7.125 55.920 4.636 211304 8.258 55.920 4.636 327766 8.609 53.790 4.670 275581 2.493 53.790 4.672 593180 4.679 53.790 4.679 9717688 8.437 53.790 4.679 1287410 2.716 53.790 4.684 1491913 1.072 53.477 4.686 162946 1.393 53.029 4.694 157977 7.633 53.875 4.695 147983 8.627 54.283 4.697 209456 4.700 53.427 4.700 25262078 8.502 53.427 4.700 850017 2.790 53.427 4.700 1382899 2.702 53.427 4.700 754955 8.453 53.427 4.700 1061592 4.701 54.043 4.701 17659308 8.437 54.043 4.701 731730 2.705 54.043 4.701 2014320 8.316 54.043 4.701 640653 1.789 52.977 4.701 258581 4.702 53.143 4.702 26374332 8.501 53.143 4.702 557817 2.757 53.143 4.702 1065674 2.831 53.143 4.702 1159966 8.326 53.143 4.702 409754 4.706 54.448 4.706 27694510 2.727 54.448 4.706 1302738 8.197 54.448 4.706 688662 2.010 52.965 4.707 629241 2.415 54.394 4.711 182459 2.224 53.329 4.716 517997 6.535 54.080 4.717 267061 4.719 55.620 4.719 17916004 8.589 55.620 4.719 309880 3.241 55.620 4.719 1157659 3.050 55.620 4.719 1162349 8.150 55.620 4.719 892455 2.590 63.614 4.730 155980 4.743 63.759 4.743 343050 1.967 63.759 4.743 155585 2.372 63.759 4.743 154220 2.262 63.759 4.743 137788 8.595 63.759 4.743 196612 2.703 63.865 4.746 279105 3.724 54.123 4.871 488998 4.872 54.036 4.872 4946550 3.531 53.991 4.873 493840 8.444 53.956 4.884 296309 4.891 51.743 4.891 5179180 9.371 51.743 4.891 406392 1.619 51.743 4.891 948466 1.386 51.743 4.891 434385 1.557 51.743 4.891 919299 0.824 51.743 4.891 960175 0.831 51.743 4.891 1098685 3.817 51.808 4.893 1562325 3.569 51.812 4.894 1332686 5.106 50.729 4.911 656706 4.901 50.729 4.911 3414734 2.831 50.729 4.911 857876 1.278 50.729 4.911 635061 1.088 50.729 4.911 206847 9.151 50.729 4.916 177706 6.550 50.729 4.916 131257 8.102 50.729 4.920 154720 8.196 50.729 4.920 131795 8.176 53.778 4.961 120532 2.123 53.654 4.962 1016431 1.925 53.654 4.962 911140 2.247 53.654 4.962 528870 2.203 53.654 4.962 642344 2.771 53.677 4.962 321268 3.776 53.753 4.963 1187374 4.966 53.753 4.964 6721112 9.130 53.762 4.964 375015 7.269 53.739 4.964 514606 3.872 53.749 4.964 1884856 3.085 50.412 4.969 531686 7.519 53.721 4.970 222877 2.891 50.412 4.970 707949 2.063 50.412 4.970 371114 4.971 50.412 4.971 7519866 2.254 50.412 4.971 167415 8.189 50.412 4.972 144460 3.909 50.412 4.972 2854508 1.910 50.412 4.974 186677 8.635 50.412 4.976 132017 2.975 55.659 5.081 246051 5.083 55.726 5.083 5842629 8.789 55.726 5.083 441686 8.522 56.152 5.083 277789 2.072 55.726 5.083 552888 3.241 56.152 5.083 449691 2.543 56.152 5.083 396956 1.305 55.726 5.083 646343 1.108 55.726 5.083 480982 6.752 56.152 5.083 206687 1.558 55.726 5.083 191543 6.750 56.152 5.083 206687 1.442 55.726 5.083 755113 2.479 55.726 5.083 190910 9.132 55.726 5.083 1694396 9.129 56.152 5.083 1586475 2.706 55.610 5.083 298603 5.732 55.766 5.084 494203 1.898 55.954 5.084 245189 1.428 55.954 5.086 505419 1.312 55.954 5.086 447492 8.794 55.954 5.087 266878 1.112 55.954 5.087 289232 9.993 56.380 5.089 161443 2.075 55.954 5.089 396689 5.086 55.954 5.092 5346932 2.820 56.240 5.092 321238 4.895 56.369 5.095 260605 9.368 55.766 5.096 136604 5.273 54.753 5.273 6062086 9.132 54.753 5.273 520471 2.929 54.753 5.273 523945 2.822 54.753 5.273 665898 10.001 54.753 5.273 1684977 1.937 54.733 5.275 272141 2.511 54.816 5.276 263826 1.064 54.798 5.276 235654 2.397 54.800 5.277 247294 2.031 54.760 5.277 255231 4.740 54.753 5.277 1006589 8.591 54.771 5.278 408401 4.938 54.831 5.280 190353 3.201 54.804 5.281 106359 5.483 59.977 5.483 4764659 10.001 59.977 5.483 324730 2.039 59.977 5.483 790558 1.038 59.977 5.483 907806 0.825 59.977 5.483 130429 1.418 59.977 5.483 160490 1.173 59.977 5.483 202769 9.223 60.040 5.486 247545 8.116 59.998 5.487 488722 6.504 59.991 5.487 212742 2.952 60.027 5.487 556004 8.213 35.977 5.487 311708 6.056 60.012 5.488 974406 6.756 60.029 5.489 431696 5.730 51.978 5.730 5656894 8.801 51.978 5.730 479821 2.703 51.978 5.730 679079 3.126 51.978 5.730 792815 9.371 51.978 5.730 1911405 5.085 51.987 5.735 606978 2.045 51.953 5.735 221468 1.571 52.020 5.735 246065 1.111 52.022 5.735 147940 0.827 52.065 5.735 124062 1.375 52.016 5.737 235115 6.053 55.921 6.053 3683355 8.256 55.921 6.053 308532 2.954 55.921 6.053 1728453 6.883 55.921 6.053 230483 6.882 55.921 6.053 239662 9.227 55.921 6.053 1232573 6.507 55.954 6.056 439185 5.486 55.954 6.057 937732 1.063 55.954 6.057 395951 6.761 55.921 6.059 220533 2.042 55.954 6.061 120208 2.941 118.120 6.501 132053 2.857 118.034 6.501 99147 1.763 118.088 6.501 101744 0.499 118.064 6.501 158889 6.502 118.132 6.502 7817574 6.750 118.132 6.502 1472567 5.480 118.118 6.503 137469 1.286 118.053 6.504 143956 0.291 118.107 6.504 211947 9.214 118.106 6.505 89444 6.053 118.063 6.506 297841 1.113 118.104 6.506 306821 4.814 118.055 6.507 129797 6.750 133.065 6.750 1981444 2.543 133.065 6.750 150968 2.825 133.181 6.751 191252 3.241 133.065 6.752 134437 6.503 133.065 6.752 589860 5.486 133.076 6.752 102318 8.518 133.365 6.752 120116 2.931 133.289 6.756 134347 6.812 118.319 6.812 35830044 6.970 118.319 6.812 2674139 3.302 118.354 6.812 119808 9.750 118.618 6.812 131622 6.799 117.882 6.812 14928404 6.977 117.882 6.812 1454811 1.326 118.582 6.813 139312 6.224 118.191 6.816 121404 6.027 118.305 6.816 134810 4.387 118.633 6.817 124662 0.902 117.882 6.817 235606 4.792 118.243 6.819 259851 2.681 118.508 6.819 127161 6.822 118.458 6.822 29182742 6.882 118.454 6.822 19095998 2.961 118.498 6.824 296522 0.894 118.481 6.826 109829 6.840 119.369 6.826 608926 1.142 118.294 6.827 317090 4.797 118.445 6.830 276734 4.443 133.395 6.880 148484 1.092 109.208 6.880 103173 6.883 133.130 6.882 3412509 2.954 133.130 6.882 471807 8.256 133.130 6.882 104041 6.882 133.130 6.883 3913333 6.822 133.130 6.883 2152886 6.881 133.395 6.885 4359156 2.945 133.395 6.885 543123 1.120 133.395 6.885 105712 8.257 133.395 6.889 118077 6.897 119.192 6.897 1338810 6.895 119.369 6.903 2378574 3.307 133.072 6.970 112284 2.660 133.072 6.970 177558 4.785 133.072 6.970 120357 6.812 133.072 6.970 1202530 6.972 133.072 6.972 6260680 3.307 133.072 6.972 134186 2.660 133.072 6.972 172073 7.126 119.952 7.126 6054091 7.113 120.197 7.126 7202652 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 H 1 'all indirect 1H' . 20 . . . 16386 1 2 C 13 'broadband 13C' . 165 . . . 16386 1 3 H 1 'c bound 1H' . 20 . . . 16386 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 6 $SPARKY . . 16386 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 16386 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 8 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 0.292 120.641 8.803 240968 0.299 120.972 9.225 130725 0.501 120.609 8.802 260500 0.509 121.010 9.233 114629 0.832 124.500 8.433 206172 0.832 127.561 9.373 367731 0.834 120.594 8.806 197208 0.835 126.207 9.130 121214 0.856 122.321 8.191 214012 0.877 112.806 7.610 111905 0.877 112.641 6.886 109694 0.880 123.337 8.501 211150 0.885 113.257 8.020 264360 0.886 125.115 8.263 649272 0.889 123.319 7.827 591516 0.892 120.544 8.553 212512 0.894 123.223 8.375 396413 0.895 113.268 6.951 113267 0.904 121.269 8.326 183546 0.910 113.458 7.684 136664 0.911 122.084 8.442 144719 0.917 119.497 7.832 534406 0.918 121.944 8.502 351155 0.918 129.266 7.986 726066 0.919 113.402 6.943 83797 0.923 120.017 8.084 731727 0.927 119.824 8.199 947927 0.931 125.912 8.582 82174 1.038 110.398 8.423 103620 1.055 119.397 10.002 251888 1.059 122.814 8.597 226743 1.068 118.077 9.124 171668 1.087 116.713 8.266 106442 1.106 126.190 9.132 546278 1.112 120.995 9.229 991844 1.115 127.249 8.786 164276 1.120 120.587 8.802 645373 1.139 123.319 7.827 1064052 1.152 114.098 8.725 495115 1.152 121.791 8.245 174868 1.154 125.182 8.267 319838 1.154 123.939 8.090 761535 1.156 113.261 8.018 656386 1.167 123.103 8.380 114843 1.175 119.448 10.003 264592 1.247 121.278 8.330 117986 1.278 112.056 7.359 247763 1.304 120.984 9.228 414690 1.304 120.589 8.802 544041 1.317 126.165 9.132 418420 1.336 118.130 9.118 101436 1.354 120.037 8.083 447791 1.358 123.125 8.178 1029807 1.362 123.041 8.301 929059 1.366 120.759 8.947 110102 1.368 118.264 8.177 174528 1.377 113.518 8.975 127283 1.386 127.566 9.373 893626 1.389 126.187 8.349 627894 1.401 121.781 8.249 460041 1.402 118.171 9.127 115430 1.416 120.615 8.024 116900 1.421 119.414 10.001 132892 1.429 126.188 9.131 318480 1.431 122.873 8.595 162528 1.434 127.261 8.790 799489 1.443 125.135 8.263 348171 1.463 123.312 7.826 611876 1.545 122.331 8.189 1373484 1.548 118.983 8.533 110750 1.566 120.661 8.027 766127 1.576 120.700 8.943 712407 1.589 127.579 9.373 825523 1.610 123.199 8.373 1302718 1.619 113.266 8.018 401782 1.682 113.224 8.018 342495 1.687 123.199 8.371 1403000 1.718 121.668 8.857 1409018 1.726 116.471 8.322 207460 1.798 120.622 8.026 196840 1.798 121.774 8.248 2136125 1.801 113.542 8.979 257962 1.830 123.293 8.493 139459 1.836 125.108 8.264 891920 1.838 121.668 8.859 952998 1.853 116.419 8.317 282623 1.881 120.549 8.554 1706051 1.882 123.916 8.091 249386 1.884 127.583 9.373 182874 1.885 123.312 7.826 1015706 1.899 118.257 8.167 341113 1.900 120.711 8.944 606595 1.908 112.586 8.754 119736 1.916 127.258 8.791 339134 1.921 123.045 8.300 237751 1.925 120.566 8.405 309553 1.928 118.086 9.126 411467 1.930 118.752 8.195 454574 1.944 119.497 7.830 445864 1.957 122.147 8.452 998170 1.968 119.828 8.517 179036 2.005 122.837 8.595 564713 2.017 125.860 8.587 101183 2.020 119.512 7.830 653268 2.026 120.030 8.082 718784 2.029 116.899 9.118 160877 2.030 125.088 8.267 310953 2.040 121.663 8.856 371385 2.043 118.763 8.197 369794 2.046 119.406 10.002 162010 2.047 120.693 8.942 1139006 2.049 119.679 8.516 261773 2.050 127.579 9.373 373926 2.052 124.493 8.437 181495 2.053 120.623 8.023 402964 2.059 126.158 9.133 197843 2.065 121.869 8.501 359375 2.066 127.274 8.790 1074518 2.076 119.910 8.199 692924 2.095 120.272 8.315 1511347 2.097 121.929 8.437 614645 2.102 113.602 7.773 215645 2.108 113.591 6.870 195222 2.115 129.269 7.986 562127 2.152 110.215 7.515 117016 2.165 110.215 7.277 165228 2.199 120.726 8.026 473475 2.213 110.195 7.515 147070 2.215 123.990 8.096 109521 2.223 118.040 9.128 607081 2.228 110.182 7.277 153445 2.231 120.546 8.555 596560 2.245 122.152 8.452 520086 2.256 119.762 8.519 149351 2.256 120.544 8.405 156085 2.260 119.643 8.645 116999 2.261 120.679 8.025 503868 2.262 120.000 8.192 204198 2.269 119.530 7.834 135940 2.285 127.588 9.371 215473 2.290 120.694 8.943 1127964 2.294 112.459 7.556 117740 2.296 118.173 8.168 153128 2.309 123.058 8.303 191274 2.316 112.483 6.884 143024 2.338 121.652 8.857 478915 2.353 112.545 8.762 205637 2.357 113.625 6.870 372093 2.364 120.264 8.316 724693 2.367 113.666 7.775 813069 2.378 122.857 8.594 676406 2.392 124.581 8.443 135230 2.419 127.278 8.790 633868 2.431 127.588 9.372 148499 2.500 122.857 8.595 1227023 2.508 124.449 8.435 256485 2.519 119.405 10.003 120933 2.528 118.719 8.519 422112 2.533 118.063 9.129 462952 2.568 129.253 7.988 1019866 2.615 113.871 6.867 104738 2.628 121.317 8.326 567907 2.633 122.276 8.186 381611 2.642 120.069 8.194 201178 2.657 121.930 8.436 1265820 2.660 110.364 8.417 194294 2.661 112.076 7.361 123335 2.666 123.194 8.189 123603 2.669 129.307 7.987 496849 2.669 117.160 7.943 97112 2.681 116.085 8.273 371630 2.698 122.850 8.595 1318559 2.700 127.284 8.791 163379 2.703 121.929 8.434 1159535 2.705 120.270 8.316 513076 2.705 127.569 9.374 305446 2.706 114.095 8.727 267647 2.707 120.580 8.802 999583 2.708 124.488 8.436 1695535 2.712 120.672 8.025 184795 2.712 113.406 6.871 122718 2.716 123.212 8.497 268920 2.718 112.627 6.882 177200 2.721 121.859 8.252 112650 2.736 112.692 7.613 443213 2.768 118.775 8.193 525983 2.777 121.980 8.501 907961 2.783 113.401 7.684 748072 2.788 113.332 6.948 259366 2.807 118.682 8.520 166618 2.814 126.156 9.132 447736 2.816 122.108 8.454 307480 2.822 119.490 9.999 134938 2.824 118.001 9.131 228458 2.828 112.034 7.358 226159 2.861 123.088 8.190 177121 2.890 119.659 8.649 280567 2.900 110.166 7.518 691563 2.902 110.228 7.278 237973 2.933 119.303 10.004 100543 2.934 126.177 9.132 994237 2.934 118.796 8.521 140739 2.954 120.994 9.229 1766096 2.959 116.558 8.258 329813 3.004 121.831 8.245 152623 3.007 120.683 8.026 238617 3.017 114.095 8.729 199722 3.054 120.926 8.588 698139 3.066 119.655 8.517 811954 3.069 123.218 8.371 337343 3.078 119.634 8.646 337267 3.085 110.185 7.518 804632 3.089 110.221 7.277 366271 3.107 119.567 8.207 133642 3.121 118.764 8.191 1471496 3.126 120.586 8.802 552305 3.128 120.649 8.953 134750 3.128 127.570 9.373 410597 3.140 118.860 8.425 135774 3.171 121.658 8.856 168298 3.196 119.616 8.517 712298 3.198 123.184 8.372 297640 3.234 118.762 8.520 703693 3.243 118.070 9.127 288454 3.247 120.931 8.588 517942 3.503 119.689 8.196 193846 3.534 112.465 6.885 115677 3.598 110.017 8.284 113607 3.615 112.548 8.761 508960 3.616 118.773 8.522 277270 3.649 118.654 8.192 156808 3.658 123.320 7.830 154339 3.673 120.501 8.558 137537 3.712 119.434 7.834 127481 3.733 110.329 8.416 1350870 3.741 112.031 7.359 272651 3.742 116.576 8.258 685907 3.767 120.698 8.027 346396 3.771 113.537 8.978 505916 3.822 118.025 9.133 106758 3.849 126.176 8.346 197597 3.849 116.380 8.312 602362 3.857 123.037 8.188 118001 3.872 110.209 7.280 145108 3.876 116.096 8.275 1032066 3.877 120.891 8.588 395434 3.877 123.287 7.830 172616 3.888 110.210 7.519 162540 3.910 118.809 8.190 880047 3.965 120.573 8.403 578068 3.973 109.749 8.264 296459 4.031 121.784 8.248 1094509 4.033 113.530 8.979 828219 4.033 120.740 8.026 290362 4.058 123.928 8.089 593843 4.061 120.536 8.555 732023 4.067 120.025 8.083 365884 4.068 125.116 8.264 2541168 4.100 121.962 8.502 1285265 4.101 119.844 8.199 457790 4.107 110.003 8.285 984846 4.149 123.330 8.498 918686 4.161 113.510 8.978 387835 4.167 120.591 8.025 363784 4.170 126.513 8.433 114232 4.181 125.155 8.264 176251 4.193 116.405 8.316 915912 4.196 121.666 8.858 625136 4.197 129.247 7.987 2826764 4.229 123.318 7.830 442193 4.230 121.862 8.247 137888 4.231 122.401 8.189 598177 4.233 114.111 8.726 722844 4.235 123.945 8.088 280609 4.241 121.511 8.328 136243 4.242 118.297 8.170 645950 4.250 118.913 8.416 281764 4.276 116.115 8.274 148483 4.276 113.763 7.776 119343 4.279 120.028 8.083 1837908 4.285 119.651 8.517 1414279 4.292 120.306 8.316 994694 4.292 121.967 8.440 2116708 4.293 121.868 8.502 221703 4.299 124.457 8.438 122046 4.301 123.134 8.178 1062219 4.333 123.318 7.827 1697954 4.351 120.546 8.554 1740359 4.352 118.742 8.516 355351 4.353 113.256 8.017 1842494 4.354 123.013 8.302 1218928 4.355 123.184 8.370 627363 4.375 112.538 8.761 1132586 4.378 129.259 7.987 902791 4.380 120.614 8.404 276411 4.380 110.022 8.283 576068 4.383 126.182 8.349 747027 4.401 119.660 8.647 697902 4.406 116.482 8.320 344626 4.415 119.504 7.831 1447315 4.441 120.586 8.803 2590002 4.444 125.966 8.574 104957 4.445 125.870 8.579 115539 4.446 121.011 9.228 549393 4.456 110.315 8.417 922669 4.460 123.318 7.828 568225 4.465 116.543 8.260 1113289 4.467 112.046 7.359 159856 4.474 116.093 8.274 645909 4.476 120.917 8.588 1195386 4.487 124.629 8.435 107915 4.487 121.665 8.857 2440108 4.526 120.149 8.193 258068 4.552 120.683 8.027 688501 4.558 121.241 8.325 404180 4.559 122.319 8.189 1229265 4.565 120.696 8.942 1156102 4.574 118.795 8.191 1084716 4.577 127.607 9.373 149315 4.582 125.942 8.586 138639 4.594 127.280 8.790 2415578 4.599 129.071 7.992 100172 4.606 123.192 8.372 1440440 4.610 121.929 8.501 392833 4.611 119.653 8.517 758140 4.614 113.227 8.019 124158 4.623 116.099 8.274 1733501 4.634 109.778 8.265 252480 4.634 121.954 8.438 1118906 4.635 118.984 8.419 216292 4.644 125.155 8.269 116506 4.682 124.486 8.436 2949850 4.702 120.264 8.318 1153978 4.706 122.091 8.451 1656135 4.706 119.872 8.197 1168976 4.713 129.420 7.989 347501 4.730 113.420 6.864 129045 4.748 122.851 8.595 2906972 4.764 119.898 8.194 1091549 4.770 117.000 7.921 96637 4.780 121.319 8.328 1526498 4.786 120.944 8.592 1062665 4.786 117.171 7.945 86780 4.792 123.372 7.831 205660 4.793 123.299 8.502 1340779 4.794 113.508 8.982 622828 4.794 120.094 8.086 273238 4.794 123.102 8.178 723368 4.794 84.210 7.103 193488 4.794 120.549 8.404 1186400 4.795 122.335 8.190 879419 4.796 112.558 8.764 720281 4.796 126.157 8.353 968182 4.796 119.001 8.421 790101 4.796 122.961 8.302 647791 4.796 109.855 8.276 1235996 4.796 112.566 6.882 777156 4.796 126.436 8.427 135540 4.797 118.266 8.173 764968 4.797 116.468 8.321 898685 4.797 113.242 8.020 703846 4.797 121.543 8.407 507572 4.797 112.691 7.613 779654 4.797 119.674 8.649 501503 4.798 125.155 8.268 257409 4.798 116.138 8.285 906851 4.798 123.965 8.093 814788 4.802 110.251 8.417 259351 4.808 121.646 8.856 101060 4.812 114.105 8.727 1052664 4.814 120.737 8.023 154628 4.816 121.758 8.248 936114 4.854 129.406 7.994 405705 4.894 127.562 9.374 366720 4.951 118.619 8.192 382643 4.961 118.792 8.191 268606 4.964 110.147 7.275 463880 4.964 110.144 7.518 457638 4.969 123.320 8.188 120656 4.974 119.575 8.647 203820 4.978 109.936 8.273 120598 5.040 129.015 7.986 137823 5.046 112.388 6.882 217322 5.056 109.976 8.299 100391 5.086 126.169 9.132 1988580 5.087 118.057 9.129 1455527 5.087 127.255 8.788 398365 5.090 127.558 9.374 234200 5.092 118.826 8.522 414971 5.193 113.309 6.945 105573 5.224 119.621 8.202 151633 5.275 118.177 9.129 143292 5.275 119.408 10.001 720602 5.276 126.179 9.133 403001 5.277 122.871 8.595 518450 5.386 125.172 8.274 129890 5.488 121.000 9.228 264299 5.489 119.368 10.001 137477 5.619 119.732 8.193 391404 5.629 118.907 8.193 250308 5.694 118.439 8.174 117774 5.737 120.578 8.802 545830 5.737 127.567 9.373 2448838 5.739 126.166 9.133 274933 6.053 116.580 8.258 326271 6.058 120.992 9.229 1428065 6.067 126.178 9.132 92471 6.191 118.878 8.193 126366 6.220 119.693 8.195 271014 6.507 120.960 9.229 173708 6.572 119.890 8.192 213676 6.601 112.079 7.359 1355355 6.752 118.755 8.520 642222 6.770 118.089 9.131 180926 6.796 120.898 9.229 132723 6.863 120.580 8.799 189712 6.868 113.676 7.774 8582915 6.868 113.689 6.871 24575458 6.877 120.971 9.228 427568 6.877 116.593 8.258 467050 6.877 112.694 7.610 7737330 6.878 112.597 6.881 45512636 6.879 112.496 7.555 5111022 6.946 113.391 6.949 21856738 6.947 113.404 7.684 8753175 7.273 110.182 7.276 4056988 7.275 110.200 7.518 4630928 7.357 110.306 8.417 246396 7.358 112.020 7.360 3105749 7.517 110.211 7.275 3535447 7.517 110.165 7.518 6898190 7.553 112.490 7.555 16517689 7.586 112.619 6.881 11510468 7.606 112.671 7.609 17590082 7.682 113.405 6.949 8271778 7.683 113.395 7.685 20158248 7.771 113.664 7.774 20550442 7.771 113.678 6.871 10068808 7.824 113.257 8.017 460670 7.826 123.311 7.826 10553971 7.831 119.508 7.831 11949514 7.934 110.305 8.414 168242 7.934 117.163 7.933 548120 7.986 129.251 7.987 38835164 8.013 123.187 8.373 316781 8.019 113.254 8.018 7989293 8.022 123.304 7.826 431547 8.026 120.695 8.026 9349831 8.029 113.544 8.978 303265 8.036 120.722 8.941 124836 8.082 120.034 8.082 13269146 8.093 123.924 8.090 1017398 8.097 120.549 8.558 135570 8.101 110.335 8.417 273463 8.159 120.907 8.588 277179 8.190 118.800 8.191 10384584 8.190 122.329 8.190 15297085 8.197 119.868 8.198 20163532 8.223 110.284 8.414 171762 8.235 113.554 8.982 103821 8.246 121.770 8.247 9044474 8.247 114.136 8.729 263400 8.260 116.609 8.257 7065161 8.268 125.148 8.265 17274780 8.268 120.849 8.587 240433 8.274 116.195 8.274 11402529 8.280 121.920 8.435 496787 8.283 109.998 8.284 9382105 8.301 123.114 8.497 116076 8.302 123.005 8.301 5516664 8.314 121.813 8.860 121824 8.315 124.478 8.434 708182 8.317 120.268 8.317 12954517 8.325 121.303 8.326 4583398 8.354 126.182 8.352 1496486 8.369 113.257 8.017 435768 8.371 123.180 8.372 8515366 8.406 120.551 8.403 3667445 8.416 110.327 8.416 7910844 8.417 112.124 7.359 158551 8.418 118.940 8.417 919012 8.438 124.488 8.436 14529388 8.438 126.541 8.429 160702 8.448 122.061 8.446 20067402 8.456 116.166 8.273 355761 8.499 123.270 8.497 2284977 8.499 121.980 8.500 8183228 8.518 112.501 8.760 313747 8.518 119.644 8.517 6049724 8.522 118.784 8.520 6075637 8.541 123.148 8.370 192897 8.549 124.055 8.089 123288 8.553 120.549 8.556 6808573 8.553 123.950 8.090 114520 8.584 120.868 8.582 4855394 8.584 125.930 8.584 1361923 8.586 116.097 8.273 179121 8.594 122.858 8.594 9069393 8.651 119.705 8.648 948052 8.652 123.412 8.654 682598 8.662 119.599 8.191 188615 8.724 121.838 8.245 272484 8.724 123.924 8.092 94181 8.725 114.108 8.725 1943899 8.753 118.911 8.529 233327 8.762 112.552 8.762 895185 8.791 127.280 8.790 7355642 8.800 122.702 8.593 123852 8.802 120.582 8.802 10946031 8.804 126.159 9.130 107844 8.807 121.031 9.227 110006 8.819 127.572 9.374 144688 8.858 121.664 8.856 8863324 8.869 116.482 8.322 163151 8.940 127.572 9.375 343608 8.942 120.691 8.941 5847232 8.967 120.683 8.027 486109 8.978 113.533 8.978 838110 9.129 119.425 10.002 346550 9.131 118.066 9.128 6803886 9.135 126.175 9.132 6316579 9.174 119.716 8.194 230333 9.181 118.915 8.197 165637 9.227 120.991 9.228 6663092 9.373 127.567 9.373 6713242 9.377 120.689 8.946 298344 9.992 122.861 8.597 206855 10.000 119.412 10.001 2363330 10.001 118.048 9.128 763964 2.415 120.713 8.943 162665 2.415 120.713 8.943 167688 0.826 125.147 8.264 115802 3.801 119.583 8.646 5465637 3.679 119.583 8.646 947843 0.893 120.979 8.150 259473 0.927 120.979 8.150 348345 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 H 1 'all indirect 1H' . 20 . . . 16386 2 2 N 15 'backbone+sidechain N' . 80 . . . 16386 2 3 H 1 'N-bound 1H' . 20 . . . 16386 2 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 6 $SPARKY . . 16386 2 stop_ save_