data_31115 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31115 _Entry.Title ; Site-specific Aspartic Acid Dehydration and Isomerization in Streptococcal Protein GB1: D-Asp40 Variant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-10-17 _Entry.Accession_date 2023-10-17 _Entry.Last_release_date 2023-10-25 _Entry.Original_release_date 2023-10-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 S. Heath S. L. . . 31115 2 A. Guseman A. J. . . 31115 3 A. Gronenborn A. M. . . 31115 4 W. Horne W. S. . . 31115 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'IMMUNE SYSTEM' . 31115 'immunoglobulin binding domain' . 31115 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31115 spectral_peak_list 1 31115 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 386 31115 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2024-04-23 . original BMRB . 31115 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8UM9 'BMRB Entry Tracking System' 31115 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31115 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Effects of Site-Specific Aspartic Acid Dehydration and Isomerization on the Folded Structure and Stability of Protein GB1 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 S. Heath S. L. . . 31115 1 2 A. Guseman A. J. . . 31115 1 3 A. Gronenborn A. M. . . 31115 1 4 W. Horne W. S. . . 31115 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31115 _Assembly.ID 1 _Assembly.Name 'Immunoglobulin G-binding protein G' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 31115 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31115 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQYKLILNGKTLKGETTTEA VDAATAEKVFKQYANDNGVX GEWTYDDATKTFTVTE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer yes _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 56 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6228.809 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 31115 1 2 . GLN . 31115 1 3 . TYR . 31115 1 4 . LYS . 31115 1 5 . LEU . 31115 1 6 . ILE . 31115 1 7 . LEU . 31115 1 8 . ASN . 31115 1 9 . GLY . 31115 1 10 . LYS . 31115 1 11 . THR . 31115 1 12 . LEU . 31115 1 13 . LYS . 31115 1 14 . GLY . 31115 1 15 . GLU . 31115 1 16 . THR . 31115 1 17 . THR . 31115 1 18 . THR . 31115 1 19 . GLU . 31115 1 20 . ALA . 31115 1 21 . VAL . 31115 1 22 . ASP . 31115 1 23 . ALA . 31115 1 24 . ALA . 31115 1 25 . THR . 31115 1 26 . ALA . 31115 1 27 . GLU . 31115 1 28 . LYS . 31115 1 29 . VAL . 31115 1 30 . PHE . 31115 1 31 . LYS . 31115 1 32 . GLN . 31115 1 33 . TYR . 31115 1 34 . ALA . 31115 1 35 . ASN . 31115 1 36 . ASP . 31115 1 37 . ASN . 31115 1 38 . GLY . 31115 1 39 . VAL . 31115 1 40 . DAS . 31115 1 41 . GLY . 31115 1 42 . GLU . 31115 1 43 . TRP . 31115 1 44 . THR . 31115 1 45 . TYR . 31115 1 46 . ASP . 31115 1 47 . ASP . 31115 1 48 . ALA . 31115 1 49 . THR . 31115 1 50 . LYS . 31115 1 51 . THR . 31115 1 52 . PHE . 31115 1 53 . THR . 31115 1 54 . VAL . 31115 1 55 . THR . 31115 1 56 . GLU . 31115 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 31115 1 . GLN 2 2 31115 1 . TYR 3 3 31115 1 . LYS 4 4 31115 1 . LEU 5 5 31115 1 . ILE 6 6 31115 1 . LEU 7 7 31115 1 . ASN 8 8 31115 1 . GLY 9 9 31115 1 . LYS 10 10 31115 1 . THR 11 11 31115 1 . LEU 12 12 31115 1 . LYS 13 13 31115 1 . GLY 14 14 31115 1 . GLU 15 15 31115 1 . THR 16 16 31115 1 . THR 17 17 31115 1 . THR 18 18 31115 1 . GLU 19 19 31115 1 . ALA 20 20 31115 1 . VAL 21 21 31115 1 . ASP 22 22 31115 1 . ALA 23 23 31115 1 . ALA 24 24 31115 1 . THR 25 25 31115 1 . ALA 26 26 31115 1 . GLU 27 27 31115 1 . LYS 28 28 31115 1 . VAL 29 29 31115 1 . PHE 30 30 31115 1 . LYS 31 31 31115 1 . GLN 32 32 31115 1 . TYR 33 33 31115 1 . ALA 34 34 31115 1 . ASN 35 35 31115 1 . ASP 36 36 31115 1 . ASN 37 37 31115 1 . GLY 38 38 31115 1 . VAL 39 39 31115 1 . DAS 40 40 31115 1 . GLY 41 41 31115 1 . GLU 42 42 31115 1 . TRP 43 43 31115 1 . THR 44 44 31115 1 . TYR 45 45 31115 1 . ASP 46 46 31115 1 . ASP 47 47 31115 1 . ALA 48 48 31115 1 . THR 49 49 31115 1 . LYS 50 50 31115 1 . THR 51 51 31115 1 . PHE 52 52 31115 1 . THR 53 53 31115 1 . VAL 54 54 31115 1 . THR 55 55 31115 1 . GLU 56 56 31115 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 31115 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 1301 organism . Streptococcus Streptococcus . . Bacteria . Streptococcus . . . . . . . . . . . . . . 31115 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 31115 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . 31115 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_DAS _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DAS _Chem_comp.Entry_ID 31115 _Chem_comp.ID DAS _Chem_comp.Provenance PDB _Chem_comp.Name 'D-ASPARTIC ACID' _Chem_comp.Type 'D-PEPTIDE LINKING' _Chem_comp.BMRB_code DAS _Chem_comp.PDB_code DAS _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces DSP _Chem_comp.One_letter_code D _Chem_comp.Three_letter_code DAS _Chem_comp.Number_atoms_all 16 _Chem_comp.Number_atoms_nh 9 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C4 H7 N O4' _Chem_comp.Formula_weight 133.103 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1AN1 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C(C(C(=O)O)N)C(=O)O SMILES 'OpenEye OEToolkits' 1.5.0 31115 DAS C([C@H](C(=O)O)N)C(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 31115 DAS CKLJMWTZIZZHCS-UWTATZPHSA-N InChIKey InChI 1.03 31115 DAS InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1 InChI InChI 1.03 31115 DAS N[C@H](CC(O)=O)C(O)=O SMILES_CANONICAL CACTVS 3.341 31115 DAS N[CH](CC(O)=O)C(O)=O SMILES CACTVS 3.341 31115 DAS O=C(O)CC(N)C(=O)O SMILES ACDLabs 10.04 31115 DAS stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2R)-2-aminobutanedioic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 31115 DAS 'D-aspartic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 31115 DAS stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 N N . . . . 17.583 . 59.747 . 30.265 . 1.659 -0.052 -0.266 1 . 31115 DAS CA CA CA CA . C . . R 0 . . . 1 N N . . . . 18.873 . 59.859 . 30.954 . 0.266 0.365 -0.472 2 . 31115 DAS C C C C . C . . N 0 . . . 1 N N . . . . 19.982 . 60.297 . 29.948 . -0.163 0.007 -1.872 3 . 31115 DAS O O O O . O . . N 0 . . . 1 N N . . . . 19.687 . 60.632 . 28.810 . 0.320 -0.951 -2.425 4 . 31115 DAS CB CB CB CB . C . . N 0 . . . 1 N N . . . . 18.788 . 60.798 . 32.128 . -0.634 -0.350 0.535 5 . 31115 DAS CG CG CG CG . C . . N 0 . . . 1 N N . . . . 18.684 . 62.225 . 31.716 . -0.205 0.007 1.935 6 . 31115 DAS OD1 OD1 OD1 OD1 . O . . N 0 . . . 1 N N . . . . 17.604 . 62.665 . 31.218 . 0.725 0.757 2.108 7 . 31115 DAS OD2 OD2 OD2 OD2 . O . . N 0 . . . 1 N N . . . . 19.688 . 62.908 . 31.932 . -0.857 -0.507 2.989 8 . 31115 DAS OXT OXT OXT OXT . O . . N 0 . . . 1 N Y . . . . 21.246 . 60.177 . 30.330 . -1.082 0.754 -2.503 9 . 31115 DAS H H H H . H . . N 0 . . . 1 N N . . . . 16.857 . 59.460 . 30.922 . 2.199 0.359 -1.012 10 . 31115 DAS H2 H2 H2 HN2 . H . . N 0 . . . 1 N Y . . . . 17.633 . 59.124 . 29.458 . 1.687 -1.051 -0.405 11 . 31115 DAS HA HA HA HA . H . . N 0 . . . 1 N N . . . . 19.145 . 58.856 . 31.359 . 0.185 1.442 -0.331 12 . 31115 DAS HB2 HB2 HB2 1HB . H . . N 0 . . . 1 N N . . . . 17.949 . 60.515 . 32.806 . -1.668 -0.040 0.382 13 . 31115 DAS HB3 HB3 HB3 2HB . H . . N 0 . . . 1 N N . . . . 19.644 . 60.644 . 32.825 . -0.553 -1.428 0.395 14 . 31115 DAS HD2 HD2 HD2 HD2 . H . . N 0 . . . 1 N N . . . . 19.621 . 63.818 . 31.669 . -0.582 -0.277 3.887 15 . 31115 DAS HXT HXT HXT HXT . H . . N 0 . . . 1 N Y . . . . 21.921 . 60.443 . 29.717 . -1.358 0.524 -3.401 16 . 31115 DAS stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA N N 1 . 31115 DAS 2 . SING N H N N 2 . 31115 DAS 3 . SING N H2 N N 3 . 31115 DAS 4 . SING CA C N N 4 . 31115 DAS 5 . SING CA CB N N 5 . 31115 DAS 6 . SING CA HA N N 6 . 31115 DAS 7 . DOUB C O N N 7 . 31115 DAS 8 . SING C OXT N N 8 . 31115 DAS 9 . SING CB CG N N 9 . 31115 DAS 10 . SING CB HB2 N N 10 . 31115 DAS 11 . SING CB HB3 N N 11 . 31115 DAS 12 . DOUB CG OD1 N N 12 . 31115 DAS 13 . SING CG OD2 N N 13 . 31115 DAS 14 . SING OD2 HD2 N N 14 . 31115 DAS 15 . SING OXT HXT N N 15 . 31115 DAS stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31115 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.12 mM B1 Domain of Streptococcal Protein G, D-Asp40 Variant, 20 mM sodium phosphate, 0.1 mM DSS, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'B1 Domain of Streptococcal Protein G, D-Asp40 Variant' 'natural abundance' . . 1 $entity_1 . . 0.12 . . mM . . . . 31115 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 31115 1 3 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 31115 1 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 31115 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 41 . mM 31115 1 pH 7 . pH* 31115 1 pressure 1 . atm 31115 1 temperature 298 . K 31115 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31115 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 31115 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 31115 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31115 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee, Tonelli, Markley' . . 31115 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 31115 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31115 _Software.ID 3 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 31115 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 31115 3 'structure calculation' . 31115 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 31115 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 31115 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 700 . . . 31115 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 31115 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31115 1 2 '2D 1H-1H COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31115 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31115 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 31115 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 31115 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 31115 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 31115 1 2 '2D 1H-1H COSY' . . . 31115 1 3 '2D 1H-1H NOESY' . . . 31115 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET HA H 1 4.177 0.001 . 1 . . . . A 1 MET HA . 31115 1 2 . 1 . 1 1 1 MET HB2 H 1 2.205 0.001 . 2 . . . . A 1 MET HB2 . 31115 1 3 . 1 . 1 1 1 MET HB3 H 1 2.096 0.003 . 2 . . . . A 1 MET HB3 . 31115 1 4 . 1 . 1 1 1 MET HG2 H 1 2.429 0.003 . 1 . . . . A 1 MET HG2 . 31115 1 5 . 1 . 1 1 1 MET HG3 H 1 2.429 0.003 . 1 . . . . A 1 MET HG3 . 31115 1 6 . 1 . 1 1 1 MET HE1 H 1 2.129 0.000 . 1 . . . . A 1 MET HE1 . 31115 1 7 . 1 . 1 1 1 MET HE2 H 1 2.129 0.000 . 1 . . . . A 1 MET HE2 . 31115 1 8 . 1 . 1 1 1 MET HE3 H 1 2.129 0.000 . 1 . . . . A 1 MET HE3 . 31115 1 9 . 1 . 1 2 2 GLN H H 1 8.367 0.001 . 1 . . . . A 2 GLN H . 31115 1 10 . 1 . 1 2 2 GLN HA H 1 4.984 0.002 . 1 . . . . A 2 GLN HA . 31115 1 11 . 1 . 1 2 2 GLN HB2 H 1 2.043 0.000 . 2 . . . . A 2 GLN HB2 . 31115 1 12 . 1 . 1 2 2 GLN HB3 H 1 1.991 0.000 . 2 . . . . A 2 GLN HB3 . 31115 1 13 . 1 . 1 2 2 GLN HG2 H 1 2.359 0.000 . 2 . . . . A 2 GLN HG2 . 31115 1 14 . 1 . 1 2 2 GLN HG3 H 1 2.123 0.000 . 2 . . . . A 2 GLN HG3 . 31115 1 15 . 1 . 1 2 2 GLN HE21 H 1 6.918 0.000 . 2 . . . . A 2 GLN HE21 . 31115 1 16 . 1 . 1 2 2 GLN HE22 H 1 7.851 0.000 . 2 . . . . A 2 GLN HE22 . 31115 1 17 . 1 . 1 3 3 TYR H H 1 9.121 0.002 . 1 . . . . A 3 TYR H . 31115 1 18 . 1 . 1 3 3 TYR HA H 1 5.374 0.002 . 1 . . . . A 3 TYR HA . 31115 1 19 . 1 . 1 3 3 TYR HB2 H 1 3.392 0.001 . 2 . . . . A 3 TYR HB2 . 31115 1 20 . 1 . 1 3 3 TYR HB3 H 1 2.751 0.001 . 2 . . . . A 3 TYR HB3 . 31115 1 21 . 1 . 1 3 3 TYR HD1 H 1 7.073 0.000 . 1 . . . . A 3 TYR HD1 . 31115 1 22 . 1 . 1 3 3 TYR HD2 H 1 7.073 0.000 . 1 . . . . A 3 TYR HD2 . 31115 1 23 . 1 . 1 3 3 TYR HE1 H 1 6.775 0.000 . 1 . . . . A 3 TYR HE1 . 31115 1 24 . 1 . 1 3 3 TYR HE2 H 1 6.775 0.000 . 1 . . . . A 3 TYR HE2 . 31115 1 25 . 1 . 1 4 4 LYS H H 1 9.093 0.002 . 1 . . . . A 4 LYS H . 31115 1 26 . 1 . 1 4 4 LYS HA H 1 5.227 0.003 . 1 . . . . A 4 LYS HA . 31115 1 27 . 1 . 1 4 4 LYS HB2 H 1 2.038 0.002 . 2 . . . . A 4 LYS HB2 . 31115 1 28 . 1 . 1 4 4 LYS HB3 H 1 1.906 0.004 . 2 . . . . A 4 LYS HB3 . 31115 1 29 . 1 . 1 4 4 LYS HG2 H 1 1.474 0.004 . 2 . . . . A 4 LYS HG2 . 31115 1 30 . 1 . 1 4 4 LYS HG3 H 1 1.352 0.002 . 2 . . . . A 4 LYS HG3 . 31115 1 31 . 1 . 1 4 4 LYS HD2 H 1 1.626 0.003 . 1 . . . . A 4 LYS HD2 . 31115 1 32 . 1 . 1 4 4 LYS HD3 H 1 1.626 0.003 . 1 . . . . A 4 LYS HD3 . 31115 1 33 . 1 . 1 4 4 LYS HE2 H 1 2.863 0.002 . 2 . . . . A 4 LYS HE2 . 31115 1 34 . 1 . 1 4 4 LYS HE3 H 1 2.785 0.002 . 2 . . . . A 4 LYS HE3 . 31115 1 35 . 1 . 1 5 5 LEU H H 1 8.645 0.000 . 1 . . . . A 5 LEU H . 31115 1 36 . 1 . 1 5 5 LEU HA H 1 4.948 0.001 . 1 . . . . A 5 LEU HA . 31115 1 37 . 1 . 1 5 5 LEU HB2 H 1 0.783 0.001 . 2 . . . . A 5 LEU HB2 . 31115 1 38 . 1 . 1 5 5 LEU HB3 H 1 -1.132 0.001 . 2 . . . . A 5 LEU HB3 . 31115 1 39 . 1 . 1 5 5 LEU HG H 1 0.854 0.000 . 1 . . . . A 5 LEU HG . 31115 1 40 . 1 . 1 5 5 LEU HD11 H 1 0.505 0.005 . 2 . . . . A 5 LEU HD11 . 31115 1 41 . 1 . 1 5 5 LEU HD12 H 1 0.505 0.005 . 2 . . . . A 5 LEU HD12 . 31115 1 42 . 1 . 1 5 5 LEU HD13 H 1 0.505 0.005 . 2 . . . . A 5 LEU HD13 . 31115 1 43 . 1 . 1 5 5 LEU HD21 H 1 0.524 0.001 . 2 . . . . A 5 LEU HD21 . 31115 1 44 . 1 . 1 5 5 LEU HD22 H 1 0.524 0.001 . 2 . . . . A 5 LEU HD22 . 31115 1 45 . 1 . 1 5 5 LEU HD23 H 1 0.524 0.001 . 2 . . . . A 5 LEU HD23 . 31115 1 46 . 1 . 1 6 6 ILE H H 1 9.113 0.001 . 1 . . . . A 6 ILE H . 31115 1 47 . 1 . 1 6 6 ILE HA H 1 4.311 0.001 . 1 . . . . A 6 ILE HA . 31115 1 48 . 1 . 1 6 6 ILE HB H 1 1.984 0.001 . 1 . . . . A 6 ILE HB . 31115 1 49 . 1 . 1 6 6 ILE HG12 H 1 1.414 0.003 . 2 . . . . A 6 ILE HG12 . 31115 1 50 . 1 . 1 6 6 ILE HG13 H 1 1.097 0.001 . 2 . . . . A 6 ILE HG13 . 31115 1 51 . 1 . 1 6 6 ILE HG21 H 1 0.809 0.002 . 1 . . . . A 6 ILE HG21 . 31115 1 52 . 1 . 1 6 6 ILE HG22 H 1 0.809 0.002 . 1 . . . . A 6 ILE HG22 . 31115 1 53 . 1 . 1 6 6 ILE HG23 H 1 0.809 0.002 . 1 . . . . A 6 ILE HG23 . 31115 1 54 . 1 . 1 6 6 ILE HD11 H 1 0.779 0.002 . 1 . . . . A 6 ILE HD11 . 31115 1 55 . 1 . 1 6 6 ILE HD12 H 1 0.779 0.002 . 1 . . . . A 6 ILE HD12 . 31115 1 56 . 1 . 1 6 6 ILE HD13 H 1 0.779 0.002 . 1 . . . . A 6 ILE HD13 . 31115 1 57 . 1 . 1 7 7 LEU H H 1 8.695 0.002 . 1 . . . . A 7 LEU H . 31115 1 58 . 1 . 1 7 7 LEU HA H 1 4.476 0.000 . 1 . . . . A 7 LEU HA . 31115 1 59 . 1 . 1 7 7 LEU HB2 H 1 1.419 0.001 . 1 . . . . A 7 LEU HB2 . 31115 1 60 . 1 . 1 7 7 LEU HB3 H 1 1.419 0.001 . 1 . . . . A 7 LEU HB3 . 31115 1 61 . 1 . 1 7 7 LEU HG H 1 1.330 0.001 . 1 . . . . A 7 LEU HG . 31115 1 62 . 1 . 1 7 7 LEU HD11 H 1 0.742 0.001 . 2 . . . . A 7 LEU HD11 . 31115 1 63 . 1 . 1 7 7 LEU HD12 H 1 0.742 0.001 . 2 . . . . A 7 LEU HD12 . 31115 1 64 . 1 . 1 7 7 LEU HD13 H 1 0.742 0.001 . 2 . . . . A 7 LEU HD13 . 31115 1 65 . 1 . 1 7 7 LEU HD21 H 1 0.756 0.000 . 2 . . . . A 7 LEU HD21 . 31115 1 66 . 1 . 1 7 7 LEU HD22 H 1 0.756 0.000 . 2 . . . . A 7 LEU HD22 . 31115 1 67 . 1 . 1 7 7 LEU HD23 H 1 0.756 0.000 . 2 . . . . A 7 LEU HD23 . 31115 1 68 . 1 . 1 8 8 ASN H H 1 8.941 0.001 . 1 . . . . A 8 ASN H . 31115 1 69 . 1 . 1 8 8 ASN HA H 1 5.278 0.000 . 1 . . . . A 8 ASN HA . 31115 1 70 . 1 . 1 8 8 ASN HB2 H 1 3.006 0.002 . 2 . . . . A 8 ASN HB2 . 31115 1 71 . 1 . 1 8 8 ASN HB3 H 1 2.546 0.001 . 2 . . . . A 8 ASN HB3 . 31115 1 72 . 1 . 1 8 8 ASN HD21 H 1 6.794 0.000 . 2 . . . . A 8 ASN HD21 . 31115 1 73 . 1 . 1 8 8 ASN HD22 H 1 7.175 0.000 . 2 . . . . A 8 ASN HD22 . 31115 1 74 . 1 . 1 9 9 GLY H H 1 7.906 0.001 . 1 . . . . A 9 GLY H . 31115 1 75 . 1 . 1 9 9 GLY HA2 H 1 4.499 0.001 . 2 . . . . A 9 GLY HA2 . 31115 1 76 . 1 . 1 9 9 GLY HA3 H 1 4.069 0.001 . 2 . . . . A 9 GLY HA3 . 31115 1 77 . 1 . 1 10 10 LYS H H 1 9.401 0.000 . 1 . . . . A 10 LYS H . 31115 1 78 . 1 . 1 10 10 LYS HA H 1 4.068 0.000 . 1 . . . . A 10 LYS HA . 31115 1 79 . 1 . 1 10 10 LYS HB2 H 1 1.827 0.003 . 1 . . . . A 10 LYS HB2 . 31115 1 80 . 1 . 1 10 10 LYS HB3 H 1 1.827 0.003 . 1 . . . . A 10 LYS HB3 . 31115 1 81 . 1 . 1 10 10 LYS HG2 H 1 1.462 0.002 . 1 . . . . A 10 LYS HG2 . 31115 1 82 . 1 . 1 10 10 LYS HG3 H 1 1.462 0.002 . 1 . . . . A 10 LYS HG3 . 31115 1 83 . 1 . 1 10 10 LYS HD2 H 1 1.679 0.001 . 1 . . . . A 10 LYS HD2 . 31115 1 84 . 1 . 1 10 10 LYS HD3 H 1 1.679 0.001 . 1 . . . . A 10 LYS HD3 . 31115 1 85 . 1 . 1 10 10 LYS HE2 H 1 2.980 0.003 . 1 . . . . A 10 LYS HE2 . 31115 1 86 . 1 . 1 10 10 LYS HE3 H 1 2.980 0.003 . 1 . . . . A 10 LYS HE3 . 31115 1 87 . 1 . 1 11 11 THR H H 1 8.853 0.000 . 1 . . . . A 11 THR H . 31115 1 88 . 1 . 1 11 11 THR HA H 1 4.373 0.002 . 1 . . . . A 11 THR HA . 31115 1 89 . 1 . 1 11 11 THR HB H 1 4.222 0.001 . 1 . . . . A 11 THR HB . 31115 1 90 . 1 . 1 11 11 THR HG21 H 1 1.144 0.002 . 1 . . . . A 11 THR HG21 . 31115 1 91 . 1 . 1 11 11 THR HG22 H 1 1.144 0.002 . 1 . . . . A 11 THR HG22 . 31115 1 92 . 1 . 1 11 11 THR HG23 H 1 1.144 0.002 . 1 . . . . A 11 THR HG23 . 31115 1 93 . 1 . 1 12 12 LEU H H 1 7.475 0.000 . 1 . . . . A 12 LEU H . 31115 1 94 . 1 . 1 12 12 LEU HA H 1 4.462 0.001 . 1 . . . . A 12 LEU HA . 31115 1 95 . 1 . 1 12 12 LEU HB2 H 1 1.603 0.000 . 2 . . . . A 12 LEU HB2 . 31115 1 96 . 1 . 1 12 12 LEU HB3 H 1 1.431 0.000 . 2 . . . . A 12 LEU HB3 . 31115 1 97 . 1 . 1 12 12 LEU HG H 1 1.425 0.005 . 1 . . . . A 12 LEU HG . 31115 1 98 . 1 . 1 12 12 LEU HD11 H 1 0.806 0.001 . 2 . . . . A 12 LEU HD11 . 31115 1 99 . 1 . 1 12 12 LEU HD12 H 1 0.806 0.001 . 2 . . . . A 12 LEU HD12 . 31115 1 100 . 1 . 1 12 12 LEU HD13 H 1 0.806 0.001 . 2 . . . . A 12 LEU HD13 . 31115 1 101 . 1 . 1 12 12 LEU HD21 H 1 0.900 0.001 . 2 . . . . A 12 LEU HD21 . 31115 1 102 . 1 . 1 12 12 LEU HD22 H 1 0.900 0.001 . 2 . . . . A 12 LEU HD22 . 31115 1 103 . 1 . 1 12 12 LEU HD23 H 1 0.900 0.001 . 2 . . . . A 12 LEU HD23 . 31115 1 104 . 1 . 1 13 13 LYS H H 1 8.143 0.001 . 1 . . . . A 13 LYS H . 31115 1 105 . 1 . 1 13 13 LYS HA H 1 5.147 0.001 . 1 . . . . A 13 LYS HA . 31115 1 106 . 1 . 1 13 13 LYS HB2 H 1 1.909 0.002 . 2 . . . . A 13 LYS HB2 . 31115 1 107 . 1 . 1 13 13 LYS HB3 H 1 1.752 0.001 . 2 . . . . A 13 LYS HB3 . 31115 1 108 . 1 . 1 13 13 LYS HG2 H 1 1.466 0.001 . 2 . . . . A 13 LYS HG2 . 31115 1 109 . 1 . 1 13 13 LYS HG3 H 1 1.424 0.001 . 2 . . . . A 13 LYS HG3 . 31115 1 110 . 1 . 1 13 13 LYS HD2 H 1 1.680 0.004 . 1 . . . . A 13 LYS HD2 . 31115 1 111 . 1 . 1 13 13 LYS HD3 H 1 1.680 0.004 . 1 . . . . A 13 LYS HD3 . 31115 1 112 . 1 . 1 13 13 LYS HE2 H 1 3.012 0.002 . 2 . . . . A 13 LYS HE2 . 31115 1 113 . 1 . 1 13 13 LYS HE3 H 1 2.931 0.000 . 2 . . . . A 13 LYS HE3 . 31115 1 114 . 1 . 1 14 14 GLY H H 1 8.433 0.001 . 1 . . . . A 14 GLY H . 31115 1 115 . 1 . 1 14 14 GLY HA2 H 1 4.256 0.000 . 2 . . . . A 14 GLY HA2 . 31115 1 116 . 1 . 1 14 14 GLY HA3 H 1 4.210 0.000 . 2 . . . . A 14 GLY HA3 . 31115 1 117 . 1 . 1 15 15 GLU H H 1 8.405 0.002 . 1 . . . . A 15 GLU H . 31115 1 118 . 1 . 1 15 15 GLU HA H 1 5.582 0.002 . 1 . . . . A 15 GLU HA . 31115 1 119 . 1 . 1 15 15 GLU HB2 H 1 2.017 0.000 . 2 . . . . A 15 GLU HB2 . 31115 1 120 . 1 . 1 15 15 GLU HB3 H 1 1.932 0.000 . 2 . . . . A 15 GLU HB3 . 31115 1 121 . 1 . 1 15 15 GLU HG2 H 1 2.143 0.001 . 1 . . . . A 15 GLU HG2 . 31115 1 122 . 1 . 1 15 15 GLU HG3 H 1 2.143 0.001 . 1 . . . . A 15 GLU HG3 . 31115 1 123 . 1 . 1 16 16 THR H H 1 8.768 0.002 . 1 . . . . A 16 THR H . 31115 1 124 . 1 . 1 16 16 THR HA H 1 4.738 0.005 . 1 . . . . A 16 THR HA . 31115 1 125 . 1 . 1 16 16 THR HB H 1 3.927 0.002 . 1 . . . . A 16 THR HB . 31115 1 126 . 1 . 1 16 16 THR HG21 H 1 0.447 0.001 . 1 . . . . A 16 THR HG21 . 31115 1 127 . 1 . 1 16 16 THR HG22 H 1 0.447 0.001 . 1 . . . . A 16 THR HG22 . 31115 1 128 . 1 . 1 16 16 THR HG23 H 1 0.447 0.001 . 1 . . . . A 16 THR HG23 . 31115 1 129 . 1 . 1 17 17 THR H H 1 8.103 0.000 . 1 . . . . A 17 THR H . 31115 1 130 . 1 . 1 17 17 THR HA H 1 5.819 0.001 . 1 . . . . A 17 THR HA . 31115 1 131 . 1 . 1 17 17 THR HB H 1 4.303 0.002 . 1 . . . . A 17 THR HB . 31115 1 132 . 1 . 1 17 17 THR HG21 H 1 1.197 0.002 . 1 . . . . A 17 THR HG21 . 31115 1 133 . 1 . 1 17 17 THR HG22 H 1 1.197 0.002 . 1 . . . . A 17 THR HG22 . 31115 1 134 . 1 . 1 17 17 THR HG23 H 1 1.197 0.002 . 1 . . . . A 17 THR HG23 . 31115 1 135 . 1 . 1 18 18 THR H H 1 9.002 0.000 . 1 . . . . A 18 THR H . 31115 1 136 . 1 . 1 18 18 THR HA H 1 4.674 0.002 . 1 . . . . A 18 THR HA . 31115 1 137 . 1 . 1 18 18 THR HB H 1 3.849 0.001 . 1 . . . . A 18 THR HB . 31115 1 138 . 1 . 1 18 18 THR HG21 H 1 0.491 0.000 . 1 . . . . A 18 THR HG21 . 31115 1 139 . 1 . 1 18 18 THR HG22 H 1 0.491 0.000 . 1 . . . . A 18 THR HG22 . 31115 1 140 . 1 . 1 18 18 THR HG23 H 1 0.491 0.000 . 1 . . . . A 18 THR HG23 . 31115 1 141 . 1 . 1 19 19 GLU H H 1 7.958 0.002 . 1 . . . . A 19 GLU H . 31115 1 142 . 1 . 1 19 19 GLU HA H 1 5.181 0.001 . 1 . . . . A 19 GLU HA . 31115 1 143 . 1 . 1 19 19 GLU HB2 H 1 1.946 0.000 . 1 . . . . A 19 GLU HB2 . 31115 1 144 . 1 . 1 19 19 GLU HB3 H 1 1.946 0.000 . 1 . . . . A 19 GLU HB3 . 31115 1 145 . 1 . 1 19 19 GLU HG2 H 1 2.291 0.006 . 2 . . . . A 19 GLU HG2 . 31115 1 146 . 1 . 1 19 19 GLU HG3 H 1 2.060 0.001 . 2 . . . . A 19 GLU HG3 . 31115 1 147 . 1 . 1 20 20 ALA H H 1 9.346 0.000 . 1 . . . . A 20 ALA H . 31115 1 148 . 1 . 1 20 20 ALA HA H 1 4.940 0.000 . 1 . . . . A 20 ALA HA . 31115 1 149 . 1 . 1 20 20 ALA HB1 H 1 1.341 0.001 . 1 . . . . A 20 ALA HB1 . 31115 1 150 . 1 . 1 20 20 ALA HB2 H 1 1.341 0.001 . 1 . . . . A 20 ALA HB2 . 31115 1 151 . 1 . 1 20 20 ALA HB3 H 1 1.341 0.001 . 1 . . . . A 20 ALA HB3 . 31115 1 152 . 1 . 1 21 21 VAL H H 1 8.490 0.000 . 1 . . . . A 21 VAL H . 31115 1 153 . 1 . 1 21 21 VAL HA H 1 4.122 0.000 . 1 . . . . A 21 VAL HA . 31115 1 154 . 1 . 1 21 21 VAL HB H 1 2.196 0.002 . 1 . . . . A 21 VAL HB . 31115 1 155 . 1 . 1 21 21 VAL HG11 H 1 1.008 0.001 . 1 . . . . A 21 VAL HG11 . 31115 1 156 . 1 . 1 21 21 VAL HG12 H 1 1.008 0.001 . 1 . . . . A 21 VAL HG12 . 31115 1 157 . 1 . 1 21 21 VAL HG13 H 1 1.008 0.001 . 1 . . . . A 21 VAL HG13 . 31115 1 158 . 1 . 1 21 21 VAL HG21 H 1 1.008 0.001 . 1 . . . . A 21 VAL HG21 . 31115 1 159 . 1 . 1 21 21 VAL HG22 H 1 1.008 0.001 . 1 . . . . A 21 VAL HG22 . 31115 1 160 . 1 . 1 21 21 VAL HG23 H 1 1.008 0.001 . 1 . . . . A 21 VAL HG23 . 31115 1 161 . 1 . 1 22 22 ASP H H 1 7.340 0.002 . 1 . . . . A 22 ASP H . 31115 1 162 . 1 . 1 22 22 ASP HA H 1 4.763 0.000 . 1 . . . . A 22 ASP HA . 31115 1 163 . 1 . 1 22 22 ASP HB2 H 1 3.046 0.000 . 2 . . . . A 22 ASP HB2 . 31115 1 164 . 1 . 1 22 22 ASP HB3 H 1 2.982 0.000 . 2 . . . . A 22 ASP HB3 . 31115 1 165 . 1 . 1 23 23 ALA H H 1 8.288 0.001 . 1 . . . . A 23 ALA H . 31115 1 166 . 1 . 1 23 23 ALA HA H 1 3.313 0.003 . 1 . . . . A 23 ALA HA . 31115 1 167 . 1 . 1 23 23 ALA HB1 H 1 1.178 0.001 . 1 . . . . A 23 ALA HB1 . 31115 1 168 . 1 . 1 23 23 ALA HB2 H 1 1.178 0.001 . 1 . . . . A 23 ALA HB2 . 31115 1 169 . 1 . 1 23 23 ALA HB3 H 1 1.178 0.001 . 1 . . . . A 23 ALA HB3 . 31115 1 170 . 1 . 1 24 24 ALA H H 1 8.055 0.001 . 1 . . . . A 24 ALA H . 31115 1 171 . 1 . 1 24 24 ALA HA H 1 3.971 0.003 . 1 . . . . A 24 ALA HA . 31115 1 172 . 1 . 1 24 24 ALA HB1 H 1 1.294 0.002 . 1 . . . . A 24 ALA HB1 . 31115 1 173 . 1 . 1 24 24 ALA HB2 H 1 1.294 0.002 . 1 . . . . A 24 ALA HB2 . 31115 1 174 . 1 . 1 24 24 ALA HB3 H 1 1.294 0.002 . 1 . . . . A 24 ALA HB3 . 31115 1 175 . 1 . 1 25 25 THR H H 1 8.287 0.001 . 1 . . . . A 25 THR H . 31115 1 176 . 1 . 1 25 25 THR HA H 1 3.705 0.001 . 1 . . . . A 25 THR HA . 31115 1 177 . 1 . 1 25 25 THR HB H 1 4.027 0.001 . 1 . . . . A 25 THR HB . 31115 1 178 . 1 . 1 25 25 THR HG21 H 1 1.230 0.003 . 1 . . . . A 25 THR HG21 . 31115 1 179 . 1 . 1 25 25 THR HG22 H 1 1.230 0.003 . 1 . . . . A 25 THR HG22 . 31115 1 180 . 1 . 1 25 25 THR HG23 H 1 1.230 0.003 . 1 . . . . A 25 THR HG23 . 31115 1 181 . 1 . 1 26 26 ALA H H 1 7.175 0.000 . 1 . . . . A 26 ALA H . 31115 1 182 . 1 . 1 26 26 ALA HA H 1 3.091 0.002 . 1 . . . . A 26 ALA HA . 31115 1 183 . 1 . 1 26 26 ALA HB1 H 1 0.535 0.000 . 1 . . . . A 26 ALA HB1 . 31115 1 184 . 1 . 1 26 26 ALA HB2 H 1 0.535 0.000 . 1 . . . . A 26 ALA HB2 . 31115 1 185 . 1 . 1 26 26 ALA HB3 H 1 0.535 0.000 . 1 . . . . A 26 ALA HB3 . 31115 1 186 . 1 . 1 27 27 GLU H H 1 8.341 0.000 . 1 . . . . A 27 GLU H . 31115 1 187 . 1 . 1 27 27 GLU HA H 1 2.657 0.002 . 1 . . . . A 27 GLU HA . 31115 1 188 . 1 . 1 27 27 GLU HB2 H 1 1.935 0.001 . 2 . . . . A 27 GLU HB2 . 31115 1 189 . 1 . 1 27 27 GLU HB3 H 1 1.827 0.002 . 2 . . . . A 27 GLU HB3 . 31115 1 190 . 1 . 1 27 27 GLU HG2 H 1 1.586 0.002 . 1 . . . . A 27 GLU HG2 . 31115 1 191 . 1 . 1 27 27 GLU HG3 H 1 1.586 0.002 . 1 . . . . A 27 GLU HG3 . 31115 1 192 . 1 . 1 28 28 LYS H H 1 6.951 0.000 . 1 . . . . A 28 LYS H . 31115 1 193 . 1 . 1 28 28 LYS HA H 1 3.737 0.001 . 1 . . . . A 28 LYS HA . 31115 1 194 . 1 . 1 28 28 LYS HB2 H 1 1.833 0.000 . 1 . . . . A 28 LYS HB2 . 31115 1 195 . 1 . 1 28 28 LYS HB3 H 1 1.833 0.000 . 1 . . . . A 28 LYS HB3 . 31115 1 196 . 1 . 1 28 28 LYS HG2 H 1 1.532 0.000 . 2 . . . . A 28 LYS HG2 . 31115 1 197 . 1 . 1 28 28 LYS HG3 H 1 1.330 0.002 . 2 . . . . A 28 LYS HG3 . 31115 1 198 . 1 . 1 28 28 LYS HD2 H 1 1.607 0.003 . 1 . . . . A 28 LYS HD2 . 31115 1 199 . 1 . 1 28 28 LYS HD3 H 1 1.607 0.003 . 1 . . . . A 28 LYS HD3 . 31115 1 200 . 1 . 1 28 28 LYS HE2 H 1 2.893 0.001 . 1 . . . . A 28 LYS HE2 . 31115 1 201 . 1 . 1 28 28 LYS HE3 H 1 2.893 0.001 . 1 . . . . A 28 LYS HE3 . 31115 1 202 . 1 . 1 29 29 VAL H H 1 7.335 0.000 . 1 . . . . A 29 VAL H . 31115 1 203 . 1 . 1 29 29 VAL HA H 1 3.618 0.000 . 1 . . . . A 29 VAL HA . 31115 1 204 . 1 . 1 29 29 VAL HB H 1 1.757 0.000 . 1 . . . . A 29 VAL HB . 31115 1 205 . 1 . 1 29 29 VAL HG11 H 1 0.796 0.000 . 2 . . . . A 29 VAL HG11 . 31115 1 206 . 1 . 1 29 29 VAL HG12 H 1 0.796 0.000 . 2 . . . . A 29 VAL HG12 . 31115 1 207 . 1 . 1 29 29 VAL HG13 H 1 0.796 0.000 . 2 . . . . A 29 VAL HG13 . 31115 1 208 . 1 . 1 29 29 VAL HG21 H 1 0.905 0.001 . 2 . . . . A 29 VAL HG21 . 31115 1 209 . 1 . 1 29 29 VAL HG22 H 1 0.905 0.001 . 2 . . . . A 29 VAL HG22 . 31115 1 210 . 1 . 1 29 29 VAL HG23 H 1 0.905 0.001 . 2 . . . . A 29 VAL HG23 . 31115 1 211 . 1 . 1 30 30 PHE H H 1 8.502 0.002 . 1 . . . . A 30 PHE H . 31115 1 212 . 1 . 1 30 30 PHE HA H 1 4.780 0.000 . 1 . . . . A 30 PHE HA . 31115 1 213 . 1 . 1 30 30 PHE HB2 H 1 3.345 0.003 . 2 . . . . A 30 PHE HB2 . 31115 1 214 . 1 . 1 30 30 PHE HB3 H 1 2.843 0.003 . 2 . . . . A 30 PHE HB3 . 31115 1 215 . 1 . 1 30 30 PHE HD1 H 1 6.530 0.000 . 1 . . . . A 30 PHE HD1 . 31115 1 216 . 1 . 1 30 30 PHE HD2 H 1 6.530 0.000 . 1 . . . . A 30 PHE HD2 . 31115 1 217 . 1 . 1 30 30 PHE HE1 H 1 7.075 0.000 . 1 . . . . A 30 PHE HE1 . 31115 1 218 . 1 . 1 30 30 PHE HE2 H 1 7.075 0.000 . 1 . . . . A 30 PHE HE2 . 31115 1 219 . 1 . 1 30 30 PHE HZ H 1 7.181 0.001 . 1 . . . . A 30 PHE HZ . 31115 1 220 . 1 . 1 31 31 LYS H H 1 9.110 0.000 . 1 . . . . A 31 LYS H . 31115 1 221 . 1 . 1 31 31 LYS HA H 1 4.166 0.002 . 1 . . . . A 31 LYS HA . 31115 1 222 . 1 . 1 31 31 LYS HB2 H 1 1.672 0.006 . 2 . . . . A 31 LYS HB2 . 31115 1 223 . 1 . 1 31 31 LYS HB3 H 1 1.628 0.001 . 2 . . . . A 31 LYS HB3 . 31115 1 224 . 1 . 1 31 31 LYS HG2 H 1 0.871 0.000 . 2 . . . . A 31 LYS HG2 . 31115 1 225 . 1 . 1 31 31 LYS HG3 H 1 0.615 0.002 . 2 . . . . A 31 LYS HG3 . 31115 1 226 . 1 . 1 31 31 LYS HD2 H 1 1.184 0.000 . 2 . . . . A 31 LYS HD2 . 31115 1 227 . 1 . 1 31 31 LYS HD3 H 1 1.091 0.002 . 2 . . . . A 31 LYS HD3 . 31115 1 228 . 1 . 1 31 31 LYS HE2 H 1 2.015 0.001 . 2 . . . . A 31 LYS HE2 . 31115 1 229 . 1 . 1 31 31 LYS HE3 H 1 1.750 0.003 . 2 . . . . A 31 LYS HE3 . 31115 1 230 . 1 . 1 32 32 GLN H H 1 7.466 0.000 . 1 . . . . A 32 GLN H . 31115 1 231 . 1 . 1 32 32 GLN HA H 1 4.056 0.001 . 1 . . . . A 32 GLN HA . 31115 1 232 . 1 . 1 32 32 GLN HB2 H 1 2.243 0.001 . 2 . . . . A 32 GLN HB2 . 31115 1 233 . 1 . 1 32 32 GLN HB3 H 1 2.209 0.008 . 2 . . . . A 32 GLN HB3 . 31115 1 234 . 1 . 1 32 32 GLN HG2 H 1 2.436 0.000 . 1 . . . . A 32 GLN HG2 . 31115 1 235 . 1 . 1 32 32 GLN HG3 H 1 2.436 0.000 . 1 . . . . A 32 GLN HG3 . 31115 1 236 . 1 . 1 32 32 GLN HE21 H 1 6.877 0.000 . 2 . . . . A 32 GLN HE21 . 31115 1 237 . 1 . 1 32 32 GLN HE22 H 1 7.938 0.000 . 2 . . . . A 32 GLN HE22 . 31115 1 238 . 1 . 1 33 33 TYR H H 1 8.221 0.000 . 1 . . . . A 33 TYR H . 31115 1 239 . 1 . 1 33 33 TYR HA H 1 4.277 0.000 . 1 . . . . A 33 TYR HA . 31115 1 240 . 1 . 1 33 33 TYR HB2 H 1 3.314 0.005 . 1 . . . . A 33 TYR HB2 . 31115 1 241 . 1 . 1 33 33 TYR HB3 H 1 3.314 0.005 . 1 . . . . A 33 TYR HB3 . 31115 1 242 . 1 . 1 33 33 TYR HD1 H 1 6.974 0.000 . 1 . . . . A 33 TYR HD1 . 31115 1 243 . 1 . 1 33 33 TYR HD2 H 1 6.974 0.000 . 1 . . . . A 33 TYR HD2 . 31115 1 244 . 1 . 1 33 33 TYR HE1 H 1 6.731 0.000 . 1 . . . . A 33 TYR HE1 . 31115 1 245 . 1 . 1 33 33 TYR HE2 H 1 6.731 0.000 . 1 . . . . A 33 TYR HE2 . 31115 1 246 . 1 . 1 34 34 ALA H H 1 9.119 0.000 . 1 . . . . A 34 ALA H . 31115 1 247 . 1 . 1 34 34 ALA HA H 1 3.789 0.001 . 1 . . . . A 34 ALA HA . 31115 1 248 . 1 . 1 34 34 ALA HB1 H 1 1.727 0.001 . 1 . . . . A 34 ALA HB1 . 31115 1 249 . 1 . 1 34 34 ALA HB2 H 1 1.727 0.001 . 1 . . . . A 34 ALA HB2 . 31115 1 250 . 1 . 1 34 34 ALA HB3 H 1 1.727 0.001 . 1 . . . . A 34 ALA HB3 . 31115 1 251 . 1 . 1 35 35 ASN H H 1 8.194 0.001 . 1 . . . . A 35 ASN H . 31115 1 252 . 1 . 1 35 35 ASN HA H 1 4.525 0.000 . 1 . . . . A 35 ASN HA . 31115 1 253 . 1 . 1 35 35 ASN HB2 H 1 2.942 0.000 . 2 . . . . A 35 ASN HB2 . 31115 1 254 . 1 . 1 35 35 ASN HB3 H 1 2.887 0.001 . 2 . . . . A 35 ASN HB3 . 31115 1 255 . 1 . 1 35 35 ASN HD21 H 1 6.856 0.000 . 2 . . . . A 35 ASN HD21 . 31115 1 256 . 1 . 1 35 35 ASN HD22 H 1 7.484 0.000 . 2 . . . . A 35 ASN HD22 . 31115 1 257 . 1 . 1 36 36 ASP H H 1 8.908 0.001 . 1 . . . . A 36 ASP H . 31115 1 258 . 1 . 1 36 36 ASP HA H 1 4.402 0.001 . 1 . . . . A 36 ASP HA . 31115 1 259 . 1 . 1 36 36 ASP HB2 H 1 2.704 0.002 . 2 . . . . A 36 ASP HB2 . 31115 1 260 . 1 . 1 36 36 ASP HB3 H 1 2.580 0.001 . 2 . . . . A 36 ASP HB3 . 31115 1 261 . 1 . 1 37 37 ASN H H 1 7.412 0.000 . 1 . . . . A 37 ASN H . 31115 1 262 . 1 . 1 37 37 ASN HA H 1 4.627 0.000 . 1 . . . . A 37 ASN HA . 31115 1 263 . 1 . 1 37 37 ASN HB2 H 1 2.691 0.000 . 2 . . . . A 37 ASN HB2 . 31115 1 264 . 1 . 1 37 37 ASN HB3 H 1 2.109 0.000 . 2 . . . . A 37 ASN HB3 . 31115 1 265 . 1 . 1 37 37 ASN HD21 H 1 6.334 0.000 . 2 . . . . A 37 ASN HD21 . 31115 1 266 . 1 . 1 37 37 ASN HD22 H 1 6.669 0.000 . 2 . . . . A 37 ASN HD22 . 31115 1 267 . 1 . 1 38 38 GLY H H 1 7.795 0.000 . 1 . . . . A 38 GLY H . 31115 1 268 . 1 . 1 38 38 GLY HA2 H 1 3.992 0.000 . 1 . . . . A 38 GLY HA2 . 31115 1 269 . 1 . 1 38 38 GLY HA3 H 1 3.992 0.000 . 1 . . . . A 38 GLY HA3 . 31115 1 270 . 1 . 1 39 39 VAL H H 1 7.928 0.001 . 1 . . . . A 39 VAL H . 31115 1 271 . 1 . 1 39 39 VAL HA H 1 4.412 0.001 . 1 . . . . A 39 VAL HA . 31115 1 272 . 1 . 1 39 39 VAL HB H 1 1.980 0.001 . 1 . . . . A 39 VAL HB . 31115 1 273 . 1 . 1 39 39 VAL HG11 H 1 0.844 0.000 . 2 . . . . A 39 VAL HG11 . 31115 1 274 . 1 . 1 39 39 VAL HG12 H 1 0.844 0.000 . 2 . . . . A 39 VAL HG12 . 31115 1 275 . 1 . 1 39 39 VAL HG13 H 1 0.844 0.000 . 2 . . . . A 39 VAL HG13 . 31115 1 276 . 1 . 1 39 39 VAL HG21 H 1 0.897 0.001 . 2 . . . . A 39 VAL HG21 . 31115 1 277 . 1 . 1 39 39 VAL HG22 H 1 0.897 0.001 . 2 . . . . A 39 VAL HG22 . 31115 1 278 . 1 . 1 39 39 VAL HG23 H 1 0.897 0.001 . 2 . . . . A 39 VAL HG23 . 31115 1 279 . 1 . 1 40 40 DAS H H 1 7.742 0.000 . 1 . . . . A 40 DAS H . 31115 1 280 . 1 . 1 40 40 DAS HA H 1 4.533 0.001 . 1 . . . . A 40 DAS HA . 31115 1 281 . 1 . 1 40 40 DAS HB2 H 1 2.611 0.002 . 2 . . . . A 40 DAS HB2 . 31115 1 282 . 1 . 1 40 40 DAS HB3 H 1 3.145 0.000 . 2 . . . . A 40 DAS HB3 . 31115 1 283 . 1 . 1 41 41 GLY H H 1 8.217 0.001 . 1 . . . . A 41 GLY H . 31115 1 284 . 1 . 1 41 41 GLY HA2 H 1 4.238 0.000 . 2 . . . . A 41 GLY HA2 . 31115 1 285 . 1 . 1 41 41 GLY HA3 H 1 3.839 0.001 . 2 . . . . A 41 GLY HA3 . 31115 1 286 . 1 . 1 42 42 GLU H H 1 8.225 0.001 . 1 . . . . A 42 GLU H . 31115 1 287 . 1 . 1 42 42 GLU HA H 1 4.722 0.003 . 1 . . . . A 42 GLU HA . 31115 1 288 . 1 . 1 42 42 GLU HB2 H 1 2.061 0.001 . 2 . . . . A 42 GLU HB2 . 31115 1 289 . 1 . 1 42 42 GLU HB3 H 1 1.952 0.002 . 2 . . . . A 42 GLU HB3 . 31115 1 290 . 1 . 1 42 42 GLU HG2 H 1 2.343 0.002 . 2 . . . . A 42 GLU HG2 . 31115 1 291 . 1 . 1 42 42 GLU HG3 H 1 2.239 0.000 . 2 . . . . A 42 GLU HG3 . 31115 1 292 . 1 . 1 43 43 TRP H H 1 9.284 0.001 . 1 . . . . A 43 TRP H . 31115 1 293 . 1 . 1 43 43 TRP HA H 1 5.268 0.000 . 1 . . . . A 43 TRP HA . 31115 1 294 . 1 . 1 43 43 TRP HB2 H 1 3.359 0.000 . 2 . . . . A 43 TRP HB2 . 31115 1 295 . 1 . 1 43 43 TRP HB3 H 1 3.151 0.003 . 2 . . . . A 43 TRP HB3 . 31115 1 296 . 1 . 1 43 43 TRP HD1 H 1 7.428 0.000 . 1 . . . . A 43 TRP HD1 . 31115 1 297 . 1 . 1 43 43 TRP HE1 H 1 10.540 0.000 . 1 . . . . A 43 TRP HE1 . 31115 1 298 . 1 . 1 43 43 TRP HE3 H 1 7.624 0.000 . 1 . . . . A 43 TRP HE3 . 31115 1 299 . 1 . 1 43 43 TRP HZ2 H 1 7.310 0.001 . 1 . . . . A 43 TRP HZ2 . 31115 1 300 . 1 . 1 43 43 TRP HZ3 H 1 6.599 0.000 . 1 . . . . A 43 TRP HZ3 . 31115 1 301 . 1 . 1 43 43 TRP HH2 H 1 6.721 0.002 . 1 . . . . A 43 TRP HH2 . 31115 1 302 . 1 . 1 44 44 THR H H 1 9.266 0.000 . 1 . . . . A 44 THR H . 31115 1 303 . 1 . 1 44 44 THR HA H 1 4.822 0.001 . 1 . . . . A 44 THR HA . 31115 1 304 . 1 . 1 44 44 THR HB H 1 4.237 0.001 . 1 . . . . A 44 THR HB . 31115 1 305 . 1 . 1 44 44 THR HG21 H 1 1.212 0.002 . 1 . . . . A 44 THR HG21 . 31115 1 306 . 1 . 1 44 44 THR HG22 H 1 1.212 0.002 . 1 . . . . A 44 THR HG22 . 31115 1 307 . 1 . 1 44 44 THR HG23 H 1 1.212 0.002 . 1 . . . . A 44 THR HG23 . 31115 1 308 . 1 . 1 45 45 TYR H H 1 8.586 0.001 . 1 . . . . A 45 TYR H . 31115 1 309 . 1 . 1 45 45 TYR HA H 1 4.984 0.003 . 1 . . . . A 45 TYR HA . 31115 1 310 . 1 . 1 45 45 TYR HB2 H 1 2.903 0.000 . 2 . . . . A 45 TYR HB2 . 31115 1 311 . 1 . 1 45 45 TYR HB3 H 1 2.513 0.001 . 2 . . . . A 45 TYR HB3 . 31115 1 312 . 1 . 1 45 45 TYR HD1 H 1 7.149 0.000 . 1 . . . . A 45 TYR HD1 . 31115 1 313 . 1 . 1 45 45 TYR HD2 H 1 7.149 0.000 . 1 . . . . A 45 TYR HD2 . 31115 1 314 . 1 . 1 45 45 TYR HE1 H 1 6.364 0.000 . 1 . . . . A 45 TYR HE1 . 31115 1 315 . 1 . 1 45 45 TYR HE2 H 1 6.364 0.000 . 1 . . . . A 45 TYR HE2 . 31115 1 316 . 1 . 1 46 46 ASP H H 1 7.606 0.001 . 1 . . . . A 46 ASP H . 31115 1 317 . 1 . 1 46 46 ASP HA H 1 4.598 0.001 . 1 . . . . A 46 ASP HA . 31115 1 318 . 1 . 1 46 46 ASP HB2 H 1 2.616 0.002 . 2 . . . . A 46 ASP HB2 . 31115 1 319 . 1 . 1 46 46 ASP HB3 H 1 2.273 0.001 . 2 . . . . A 46 ASP HB3 . 31115 1 320 . 1 . 1 47 47 ASP H H 1 8.596 0.001 . 1 . . . . A 47 ASP H . 31115 1 321 . 1 . 1 47 47 ASP HA H 1 4.165 0.001 . 1 . . . . A 47 ASP HA . 31115 1 322 . 1 . 1 47 47 ASP HB2 H 1 2.844 0.002 . 2 . . . . A 47 ASP HB2 . 31115 1 323 . 1 . 1 47 47 ASP HB3 H 1 2.531 0.001 . 2 . . . . A 47 ASP HB3 . 31115 1 324 . 1 . 1 48 48 ALA H H 1 8.354 0.000 . 1 . . . . A 48 ALA H . 31115 1 325 . 1 . 1 48 48 ALA HA H 1 4.123 0.001 . 1 . . . . A 48 ALA HA . 31115 1 326 . 1 . 1 48 48 ALA HB1 H 1 1.514 0.001 . 1 . . . . A 48 ALA HB1 . 31115 1 327 . 1 . 1 48 48 ALA HB2 H 1 1.514 0.001 . 1 . . . . A 48 ALA HB2 . 31115 1 328 . 1 . 1 48 48 ALA HB3 H 1 1.514 0.001 . 1 . . . . A 48 ALA HB3 . 31115 1 329 . 1 . 1 49 49 THR H H 1 7.021 0.001 . 1 . . . . A 49 THR H . 31115 1 330 . 1 . 1 49 49 THR HA H 1 4.404 0.001 . 1 . . . . A 49 THR HA . 31115 1 331 . 1 . 1 49 49 THR HB H 1 4.418 0.000 . 1 . . . . A 49 THR HB . 31115 1 332 . 1 . 1 49 49 THR HG21 H 1 1.085 0.000 . 1 . . . . A 49 THR HG21 . 31115 1 333 . 1 . 1 49 49 THR HG22 H 1 1.085 0.000 . 1 . . . . A 49 THR HG22 . 31115 1 334 . 1 . 1 49 49 THR HG23 H 1 1.085 0.000 . 1 . . . . A 49 THR HG23 . 31115 1 335 . 1 . 1 50 50 LYS H H 1 7.874 0.001 . 1 . . . . A 50 LYS H . 31115 1 336 . 1 . 1 50 50 LYS HA H 1 4.202 0.003 . 1 . . . . A 50 LYS HA . 31115 1 337 . 1 . 1 50 50 LYS HB2 H 1 2.075 0.000 . 2 . . . . A 50 LYS HB2 . 31115 1 338 . 1 . 1 50 50 LYS HB3 H 1 2.009 0.004 . 2 . . . . A 50 LYS HB3 . 31115 1 339 . 1 . 1 50 50 LYS HG2 H 1 1.414 0.003 . 2 . . . . A 50 LYS HG2 . 31115 1 340 . 1 . 1 50 50 LYS HG3 H 1 1.232 0.000 . 2 . . . . A 50 LYS HG3 . 31115 1 341 . 1 . 1 50 50 LYS HD2 H 1 1.707 0.001 . 2 . . . . A 50 LYS HD2 . 31115 1 342 . 1 . 1 50 50 LYS HD3 H 1 1.418 0.000 . 2 . . . . A 50 LYS HD3 . 31115 1 343 . 1 . 1 50 50 LYS HE2 H 1 3.098 0.001 . 2 . . . . A 50 LYS HE2 . 31115 1 344 . 1 . 1 50 50 LYS HE3 H 1 2.971 0.001 . 2 . . . . A 50 LYS HE3 . 31115 1 345 . 1 . 1 51 51 THR H H 1 7.393 0.001 . 1 . . . . A 51 THR H . 31115 1 346 . 1 . 1 51 51 THR HA H 1 5.504 0.002 . 1 . . . . A 51 THR HA . 31115 1 347 . 1 . 1 51 51 THR HB H 1 3.776 0.000 . 1 . . . . A 51 THR HB . 31115 1 348 . 1 . 1 51 51 THR HG21 H 1 1.003 0.001 . 1 . . . . A 51 THR HG21 . 31115 1 349 . 1 . 1 51 51 THR HG22 H 1 1.003 0.001 . 1 . . . . A 51 THR HG22 . 31115 1 350 . 1 . 1 51 51 THR HG23 H 1 1.003 0.001 . 1 . . . . A 51 THR HG23 . 31115 1 351 . 1 . 1 52 52 PHE H H 1 10.368 0.000 . 1 . . . . A 52 PHE H . 31115 1 352 . 1 . 1 52 52 PHE HA H 1 5.676 0.001 . 1 . . . . A 52 PHE HA . 31115 1 353 . 1 . 1 52 52 PHE HB2 H 1 3.287 0.000 . 2 . . . . A 52 PHE HB2 . 31115 1 354 . 1 . 1 52 52 PHE HB3 H 1 3.214 0.000 . 2 . . . . A 52 PHE HB3 . 31115 1 355 . 1 . 1 52 52 PHE HD1 H 1 7.810 0.001 . 1 . . . . A 52 PHE HD1 . 31115 1 356 . 1 . 1 52 52 PHE HD2 H 1 7.810 0.001 . 1 . . . . A 52 PHE HD2 . 31115 1 357 . 1 . 1 52 52 PHE HE1 H 1 7.147 0.000 . 1 . . . . A 52 PHE HE1 . 31115 1 358 . 1 . 1 52 52 PHE HE2 H 1 7.147 0.000 . 1 . . . . A 52 PHE HE2 . 31115 1 359 . 1 . 1 52 52 PHE HZ H 1 6.994 0.000 . 1 . . . . A 52 PHE HZ . 31115 1 360 . 1 . 1 53 53 THR H H 1 9.137 0.002 . 1 . . . . A 53 THR H . 31115 1 361 . 1 . 1 53 53 THR HA H 1 5.190 0.000 . 1 . . . . A 53 THR HA . 31115 1 362 . 1 . 1 53 53 THR HB H 1 3.846 0.001 . 1 . . . . A 53 THR HB . 31115 1 363 . 1 . 1 53 53 THR HG21 H 1 0.988 0.001 . 1 . . . . A 53 THR HG21 . 31115 1 364 . 1 . 1 53 53 THR HG22 H 1 0.988 0.001 . 1 . . . . A 53 THR HG22 . 31115 1 365 . 1 . 1 53 53 THR HG23 H 1 0.988 0.001 . 1 . . . . A 53 THR HG23 . 31115 1 366 . 1 . 1 54 54 VAL H H 1 8.312 0.000 . 1 . . . . A 54 VAL H . 31115 1 367 . 1 . 1 54 54 VAL HA H 1 4.501 0.000 . 1 . . . . A 54 VAL HA . 31115 1 368 . 1 . 1 54 54 VAL HB H 1 0.031 0.002 . 1 . . . . A 54 VAL HB . 31115 1 369 . 1 . 1 54 54 VAL HG11 H 1 -0.435 0.001 . 2 . . . . A 54 VAL HG11 . 31115 1 370 . 1 . 1 54 54 VAL HG12 H 1 -0.435 0.001 . 2 . . . . A 54 VAL HG12 . 31115 1 371 . 1 . 1 54 54 VAL HG13 H 1 -0.435 0.001 . 2 . . . . A 54 VAL HG13 . 31115 1 372 . 1 . 1 54 54 VAL HG21 H 1 0.366 0.000 . 2 . . . . A 54 VAL HG21 . 31115 1 373 . 1 . 1 54 54 VAL HG22 H 1 0.366 0.000 . 2 . . . . A 54 VAL HG22 . 31115 1 374 . 1 . 1 54 54 VAL HG23 H 1 0.366 0.000 . 2 . . . . A 54 VAL HG23 . 31115 1 375 . 1 . 1 55 55 THR H H 1 8.461 0.001 . 1 . . . . A 55 THR H . 31115 1 376 . 1 . 1 55 55 THR HA H 1 4.716 0.001 . 1 . . . . A 55 THR HA . 31115 1 377 . 1 . 1 55 55 THR HB H 1 3.918 0.003 . 1 . . . . A 55 THR HB . 31115 1 378 . 1 . 1 55 55 THR HG21 H 1 1.250 0.001 . 1 . . . . A 55 THR HG21 . 31115 1 379 . 1 . 1 55 55 THR HG22 H 1 1.250 0.001 . 1 . . . . A 55 THR HG22 . 31115 1 380 . 1 . 1 55 55 THR HG23 H 1 1.250 0.001 . 1 . . . . A 55 THR HG23 . 31115 1 381 . 1 . 1 56 56 GLU H H 1 7.822 0.002 . 1 . . . . A 56 GLU H . 31115 1 382 . 1 . 1 56 56 GLU HA H 1 4.288 0.002 . 1 . . . . A 56 GLU HA . 31115 1 383 . 1 . 1 56 56 GLU HB2 H 1 2.124 0.003 . 2 . . . . A 56 GLU HB2 . 31115 1 384 . 1 . 1 56 56 GLU HB3 H 1 2.018 0.001 . 2 . . . . A 56 GLU HB3 . 31115 1 385 . 1 . 1 56 56 GLU HG2 H 1 2.334 0.002 . 1 . . . . A 56 GLU HG2 . 31115 1 386 . 1 . 1 56 56 GLU HG3 H 1 2.334 0.002 . 1 . . . . A 56 GLU HG3 . 31115 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 31115 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _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.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 Volume Data Height ?-? 1.932 2.035 6.55e+08 ga 9651036 ?-? 1.091 1.182 3.81e+08 ga 10046209 ?-? 1.438 1.603 3.22e+08 ga 5153355 ?-? 0.896 0.803 2.90e+08 ga 5056541 ?-? 1.828 1.932 2.54e+08 ga 3869171 ?-? 2.971 3.097 2.46e+08 ga 7880658 ?-? 2.585 2.696 2.37e+08 ga 1 ?-? 0.897 0.760 2.36e+08 ga 4680739 ?-? 1.305 1.432 2.24e+08 ga 4648288 ?-? 1.738 1.904 2.22e+08 ga 3529162 ?-? 1.001 1.121 2.19e+08 ga 4613308 ?-? 1.234 1.392 2.06e+08 ga 2573696 ?-? 6.993 7.140 2.02e+08 ga 5983004 ?-? 2.209 2.415 2.01e+08 ga 2932752 ?-? 2.061 2.282 1.84e+08 ga 3970458 ?-? 2.531 2.844 1.74e+08 ga 1 ?-? 2.273 2.616 1.73e+08 ga 1 ?-? 7.073 7.179 1.72e+08 ga 3808846 ?-? 1.450 1.661 1.70e+08 ga 2388151 ?-? 4.238 3.840 1.61e+08 ga 1 ?-? 3.152 3.354 1.58e+08 ga 1 ?-? 2.129 2.355 1.54e+08 ga 2733027 ?-? 1.099 1.413 1.47e+08 ga 2359872 ?-? 7.008 7.731 1.46e+08 ga 8340287 ?-? 2.548 2.654 1.34e+08 ga 2569996 ?-? 6.793 7.175 1.30e+08 ga 7983633 ?-? 1.334 1.526 1.28e+08 ga 2013520 ?-? 1.940 2.134 1.26e+08 ga 2131799 ?-? 2.515 2.906 1.24e+08 ga 1 ?-? 2.110 2.690 1.23e+08 ga 1 ?-? 6.731 6.968 1.21e+08 ga 6467200 ?-? 2.750 3.393 1.21e+08 ga 1 ?-? 2.610 3.146 1.20e+08 ga 1 ?-? 6.876 7.939 1.19e+08 ga 7258560 ?-? 1.158 1.414 1.13e+08 ga 3146635 ?-? 6.669 6.336 1.05e+08 ga 5047960 ?-? 6.919 7.851 1.04e+08 ga 6538092 ?-? 4.408 1.086 1.04e+08 ga 3904323 ?-? 4.500 4.069 1.03e+08 ga 1 ?-? 0.452 0.526 1.02e+08 ga 2023243 ?-? -1.131 0.778 9.77e+07 ga 1458365 ?-? 6.730 6.803 9.45e+07 ga 2628083 ?-? 2.843 3.345 9.38e+07 ga 1 ?-? 2.541 3.014 9.10e+07 ga 1 ?-? 1.589 1.823 8.81e+07 ga 1206902 ?-? 1.748 2.006 8.77e+07 ga 1358297 ?-? 7.144 7.311 8.68e+07 ga 2075471 ?-? 2.197 1.011 8.34e+07 ga 2463870 ?-? 4.459 8.144 8.08e+07 ga 2225138 ?-? 7.146 7.808 7.28e+07 ga 2202304 ?-? 4.239 1.211 7.11e+07 ga 1735230 ?-? 4.475 8.943 7.09e+07 ga 1700187 ?-? 5.177 9.348 7.09e+07 ga 1965492 ?-? 1.956 2.227 7.06e+07 ga 1051147 ?-? 4.309 8.696 6.93e+07 ga 2098496 ?-? 0.989 0.810 6.93e+07 ga 1497514 ?-? 1.296 3.974 6.89e+07 ga 1918848 ?-? 1.001 3.777 6.65e+07 ga 1481777 ?-? 0.866 0.580 6.63e+07 ga 2636755 ?-? 4.949 9.112 6.60e+07 ga 1533321 ?-? 1.193 0.476 6.57e+07 ga 2730677 ?-? 6.924 7.142 6.48e+07 ga 1457616 ?-? 4.937 1.341 6.48e+07 ga 2384881 ?-? 4.983 9.125 6.44e+07 ga 1854561 ?-? 6.600 6.718 6.38e+07 ga 2203085 ?-? 1.406 0.506 6.37e+07 ga 2080733 ?-? 4.501 8.462 6.35e+07 ga 1963219 ?-? 0.861 0.415 6.31e+07 ga 2435564 ?-? 5.271 9.268 6.23e+07 ga 1867131 ?-? 0.872 0.621 6.16e+07 ga 975490 ?-? 1.004 1.230 6.12e+07 ga 992510 ?-? 4.730 9.284 6.12e+07 ga 2041379 ?-? 2.649 2.839 6.09e+07 ga 1 ?-? 4.201 7.875 6.07e+07 ga 1533833 ?-? 4.301 1.197 6.03e+07 ga 1967811 ?-? 1.513 4.125 5.98e+07 ga 1667677 ?-? 0.750 0.524 5.96e+07 ga 1420698 ?-? 4.716 7.823 5.83e+07 ga 2352269 ?-? 0.853 0.497 5.78e+07 ga 1403581 ?-? 3.299 6.974 5.69e+07 ga 1446237 ?-? 4.369 4.223 5.67e+07 ga 1119487 ?-? 5.225 5.817 5.60e+07 ga 1396866 ?-? 5.505 10.368 5.59e+07 ga 1512046 ?-? 1.834 3.734 5.55e+07 ga 1322313 ?-? 1.751 0.905 5.53e+07 ga 1288277 ?-? 1.231 4.030 5.52e+07 ga 1244292 ?-? 1.832 6.950 5.50e+07 ga 1851089 ?-? 4.247 4.130 5.50e+07 ga 852697 ?-? 0.916 0.548 5.49e+07 ga 2371398 ?-? 4.236 8.224 5.48e+07 ga 1396808 ?-? 5.373 9.098 5.47e+07 ga 1201038 ?-? 1.251 3.920 5.46e+07 ga 1507123 ?-? 5.190 8.311 5.46e+07 ga 1661598 ?-? 1.410 1.991 5.44e+07 ga 821535 ?-? 5.225 8.646 5.43e+07 ga 1422256 ?-? 1.343 1.709 5.43e+07 ga 2079897 ?-? 1.210 0.339 5.40e+07 ga 2591385 ?-? 4.821 8.588 5.39e+07 ga 1466637 ?-? 0.999 0.778 5.38e+07 ga 1361896 ?-? 1.334 1.839 5.37e+07 ga 949725 ?-? 4.406 4.233 5.32e+07 ga 1238959 ?-? 0.988 3.849 5.31e+07 ga 1254591 ?-? 3.867 4.053 5.30e+07 ga 754548 ?-? 1.295 8.057 5.25e+07 ga 2531156 ?-? -1.133 0.516 5.24e+07 ga 1 ?-? 1.410 0.780 5.21e+07 ga 1142099 ?-? 1.513 8.356 5.19e+07 ga 2454091 ?-? 3.993 7.794 5.18e+07 ga 1921730 ?-? 0.906 3.617 5.15e+07 ga 1 ?-? 1.422 0.747 5.12e+07 ga 1077844 ?-? 8.768 5.584 5.11e+07 ga 1556554 ?-? 5.146 8.432 5.08e+07 ga 2075963 ?-? 7.020 7.876 5.02e+07 ga 1801810 ?-? 1.230 3.705 5.02e+07 ga 1627397 ?-? 4.763 8.289 5.01e+07 ga 1668757 ?-? 0.984 1.141 5.00e+07 ga 4225211 ?-? 3.315 8.222 4.99e+07 ga 1 ?-? 0.370 0.497 4.98e+07 ga 1166464 ?-? 3.839 8.221 4.96e+07 ga 1320723 ?-? 4.676 7.961 4.87e+07 ga 1586618 ?-? 1.983 0.812 4.86e+07 ga 1474677 ?-? 0.889 1.080 4.80e+07 ga 982138 ?-? 6.723 7.310 4.75e+07 ga 1129378 ?-? 3.090 0.535 4.72e+07 ga 1569872 ?-? 1.754 0.799 4.67e+07 ga 1422391 ?-? 4.598 8.599 4.56e+07 ga 1457580 ?-? 4.532 8.217 4.53e+07 ga 1211606 ?-? 1.340 0.534 4.49e+07 ga 1390198 ?-? 1.424 0.811 4.47e+07 ga 1683433 ?-? 0.534 7.145 4.46e+07 ga 1419220 ?-? 0.794 0.492 4.45e+07 ga 1132120 ?-? 8.057 8.289 4.41e+07 ga 1932124 ?-? 5.817 9.003 4.41e+07 ga 1656054 ?-? 6.856 7.484 4.40e+07 ga 1346478 ?-? 2.180 2.766 4.33e+07 ga 1 ?-? 1.449 1.917 4.32e+07 ga 455057 ?-? 1.946 7.961 4.31e+07 ga 971510 ?-? 1.821 4.066 4.23e+07 ga 968457 ?-? 1.455 1.832 4.21e+07 ga 608265 ?-? 0.489 3.848 4.17e+07 ga 1354115 ?-? 6.799 7.139 4.17e+07 ga 1332451 ?-? 3.394 7.147 4.17e+07 ga 946526 ?-? 5.176 1.952 4.16e+07 ga 830258 ?-? 0.853 0.526 4.10e+07 ga 1405714 ?-? 2.342 2.554 4.09e+07 ga 844732 ?-? 3.314 1.178 4.08e+07 ga 1406245 ?-? 4.303 5.817 4.08e+07 ga 1190273 ?-? 4.300 3.973 4.05e+07 ga 696575 ?-? 1.007 4.120 4.02e+07 ga 1959191 ?-? 0.773 0.448 4.02e+07 ga 876338 ?-? 5.672 9.138 4.01e+07 ga 1300257 ?-? 0.535 7.175 4.00e+07 ga 1868080 ?-? 2.198 4.121 3.99e+07 ga 1523847 ?-? 4.983 7.605 3.94e+07 ga 1196854 ?-? 6.887 7.552 3.92e+07 ga 1264975 ?-? 4.232 4.070 3.91e+07 ga 667727 ?-? 4.455 1.438 3.88e+07 ga 934539 ?-? 1.407 2.082 3.87e+07 ga 546517 ?-? 1.949 2.284 3.85e+07 ga 1103391 ?-? 1.981 0.900 3.81e+07 ga 1639181 ?-? 1.982 0.989 3.79e+07 ga 992313 ?-? 1.726 9.117 3.78e+07 ga 1692080 ?-? 3.044 8.288 3.77e+07 ga 1147242 ?-? 2.523 8.595 3.73e+07 ga 1 ?-? 4.031 4.163 3.68e+07 ga 594172 ?-? 3.331 6.975 3.66e+07 ga 899837 ?-? 3.285 7.810 3.65e+07 ga 893762 ?-? 4.740 3.927 3.65e+07 ga 1142364 ?-? 1.755 7.334 3.64e+07 ga 1121668 ?-? 1.537 1.829 3.63e+07 ga 637749 ?-? 4.293 2.346 3.63e+07 ga 1 ?-? 1.728 7.310 3.60e+07 ga 1246015 ?-? 0.366 -0.435 3.59e+07 ga 1555608 ?-? 7.624 7.810 3.58e+07 ga 1030480 ?-? 6.531 7.075 3.57e+07 ga 491053 ?-? 1.585 2.660 3.55e+07 ga 1 ?-? 1.427 0.898 3.54e+07 ga 1533145 ?-? 3.214 7.811 3.54e+07 ga 964951 ?-? 4.475 1.417 3.53e+07 ga 897318 ?-? 4.311 0.810 3.48e+07 ga 1186738 ?-? 1.636 1.907 3.46e+07 ga 536059 ?-? 3.152 9.284 3.45e+07 ga 819515 ?-? 0.030 -0.437 3.44e+07 ga 1451484 ?-? 4.069 7.907 3.44e+07 ga 926776 ?-? 1.727 3.780 3.43e+07 ga 946144 ?-? 4.274 3.307 3.42e+07 ga 757820 ?-? 0.523 6.971 3.42e+07 ga 1026806 ?-? 2.748 7.146 3.37e+07 ga 840530 ?-? 1.006 8.492 3.36e+07 ga 1459168 ?-? 4.211 1.409 3.35e+07 ga 715685 ?-? 1.341 0.494 3.34e+07 ga 1057845 ?-? 5.277 7.907 3.33e+07 ga 1237436 ?-? 4.938 8.492 3.33e+07 ga 1416124 ?-? 1.354 1.913 3.33e+07 ga 605671 ?-? 1.620 2.300 3.32e+07 ga 530476 ?-? 6.831 7.453 3.30e+07 ga 852617 ?-? 0.797 3.616 3.30e+07 ga 1 ?-? 4.760 2.986 3.30e+07 ga 1 ?-? 4.263 4.020 3.29e+07 ga 459727 ?-? 0.907 7.335 3.29e+07 ga 1305220 ?-? 3.357 7.623 3.24e+07 ga 919722 ?-? 1.085 0.782 3.21e+07 ga 795590 ?-? 4.026 8.290 3.20e+07 ga 1061903 ?-? 0.789 0.526 3.20e+07 ga 1032503 ?-? 7.072 7.322 3.20e+07 ga 820640 ?-? 4.202 8.405 3.18e+07 ga 822867 ?-? 4.302 9.003 3.15e+07 ga 1365977 ?-? 4.068 9.401 3.15e+07 ga 1117683 ?-? 0.752 6.731 3.15e+07 ga 983688 ?-? 4.675 3.850 3.10e+07 ga 1228688 ?-? 1.821 9.401 3.08e+07 ga 963538 ?-? 1.094 0.808 3.08e+07 ga 840580 ?-? 4.760 3.038 3.08e+07 ga 1 ?-? 4.178 8.365 3.08e+07 ga 901619 ?-? 0.031 0.368 3.07e+07 ga 935202 ?-? 0.448 3.927 3.06e+07 ga 1058059 ?-? 4.393 3.996 3.03e+07 ga 1 ?-? 4.745 8.104 3.02e+07 ga 972207 ?-? 5.190 0.989 3.02e+07 ga 1064013 ?-? 1.980 0.847 3.02e+07 ga 1268414 ?-? 7.008 7.237 3.02e+07 ga 791312 ?-? 2.202 2.938 3.01e+07 ga 562162 ?-? 1.195 5.818 3.00e+07 ga 1022669 ?-? 7.072 7.810 2.99e+07 ga 766565 ?-? 4.720 1.251 2.98e+07 ga 1167373 ?-? 6.599 7.621 2.98e+07 ga 1275611 ?-? 7.235 7.444 2.98e+07 ga 892066 ?-? 1.589 1.941 2.97e+07 ga 572939 ?-? 1.354 2.042 2.95e+07 ga 435473 ?-? 7.336 8.501 2.95e+07 ga 1218230 ?-? 4.599 2.270 2.94e+07 ga 1 ?-? 4.946 0.499 2.93e+07 ga 968882 ?-? 4.375 1.145 2.91e+07 ga 1258612 ?-? 8.288 1.177 2.89e+07 ga 1061171 ?-? 6.518 7.238 2.89e+07 ga 537862 ?-? 2.203 7.467 2.87e+07 ga 914666 ?-? 4.170 7.310 2.86e+07 ga 1169020 ?-? 7.427 10.540 2.85e+07 ga 1996131 ?-? 1.617 2.242 2.83e+07 ga 423923 ?-? 3.311 0.535 2.83e+07 ga 963521 ?-? 1.341 4.027 2.83e+07 ga 755353 ?-? 1.935 8.341 2.82e+07 ga 980787 ?-? 1.984 9.112 2.79e+07 ga 696822 ?-? 4.290 2.022 2.78e+07 ga 361274 ?-? 8.075 8.323 2.78e+07 ga 913908 ?-? 0.500 6.599 2.74e+07 ga 899873 ?-? 5.146 1.909 2.71e+07 ga 1 ?-? 3.342 0.503 2.68e+07 ga 610323 ?-? 1.421 8.695 2.67e+07 ga 521921 ?-? 1.340 7.338 2.67e+07 ga 1216876 ?-? 6.722 6.831 2.65e+07 ga 980175 ?-? 4.495 0.027 2.64e+07 ga 468778 ?-? 0.491 7.182 2.64e+07 ga 848947 ?-? 1.983 7.742 2.64e+07 ga 930733 ?-? 1.007 7.338 2.64e+07 ga 1091571 ?-? 7.797 7.926 2.64e+07 ga 673249 ?-? 4.253 8.407 2.63e+07 ga 658621 ?-? 4.527 2.894 2.63e+07 ga 501250 ?-? 4.983 5.672 2.61e+07 ga 621483 ?-? 1.003 1.339 2.58e+07 ga 580360 ?-? 7.477 8.854 2.58e+07 ga 782859 ?-? 1.986 0.781 2.57e+07 ga 464261 ?-? 4.413 7.742 2.57e+07 ga 1270975 ?-? 1.001 5.506 2.56e+07 ga 926932 ?-? 1.674 9.109 2.55e+07 ga 896615 ?-? 4.058 7.469 2.54e+07 ga 715979 ?-? 2.669 3.005 2.53e+07 ga 1 ?-? 4.402 2.582 2.53e+07 ga 1 ?-? 2.109 7.411 2.52e+07 ga 664050 ?-? 4.276 8.222 2.52e+07 ga 1091870 ?-? 1.474 2.045 2.50e+07 ga 295427 ?-? 4.124 8.357 2.49e+07 ga 969679 ?-? 4.628 2.691 2.49e+07 ga 1 ?-? 1.424 0.839 2.47e+07 ga 460972 ?-? 0.744 0.365 2.47e+07 ga 744512 ?-? 3.313 9.116 2.47e+07 ga 874467 ?-? 1.604 2.895 2.46e+07 ga 702946 ?-? 6.783 7.080 2.46e+07 ga 714053 ?-? 4.387 3.937 2.45e+07 ga 445401 ?-? 3.347 6.722 2.45e+07 ga 530179 ?-? 6.635 6.768 2.44e+07 ga 601094 ?-? 4.305 1.428 2.44e+07 ga 578443 ?-? 9.006 9.121 2.42e+07 ga 443054 ?-? 4.239 8.590 2.42e+07 ga 686238 ?-? 4.311 5.583 2.39e+07 ga 641439 ?-? 4.501 9.401 2.39e+07 ga 832203 ?-? 2.708 8.907 2.38e+07 ga 863868 ?-? 1.554 0.870 2.37e+07 ga 361608 ?-? 5.818 7.182 2.36e+07 ga 734434 ?-? 4.026 7.339 2.36e+07 ga 937316 ?-? 5.185 9.130 2.36e+07 ga 582230 ?-? 1.755 8.503 2.35e+07 ga 951119 ?-? 2.246 7.467 2.34e+07 ga 719338 ?-? 7.412 7.793 2.34e+07 ga 694218 ?-? 6.630 7.084 2.34e+07 ga 719626 ?-? 7.022 8.357 2.33e+07 ga 807100 ?-? 4.299 2.131 2.33e+07 ga 475262 ?-? 5.147 1.427 2.33e+07 ga 326279 ?-? 2.944 8.194 2.32e+07 ga 963200 ?-? 1.830 3.704 2.30e+07 ga 677912 ?-? 4.817 4.237 2.29e+07 ga 457829 ?-? 3.925 4.203 2.29e+07 ga 363157 ?-? 7.182 9.002 2.29e+07 ga 706815 ?-? 1.085 7.020 2.28e+07 ga 744067 ?-? 1.951 8.226 2.28e+07 ga 542741 ?-? 4.978 2.041 2.28e+07 ga 369539 ?-? 1.829 8.341 2.27e+07 ga 847082 ?-? 4.462 0.900 2.27e+07 ga 956509 ?-? 1.426 8.432 2.26e+07 ga 826217 ?-? 3.286 0.501 2.25e+07 ga 629133 ?-? 4.238 3.748 2.25e+07 ga 636518 ?-? 1.146 4.231 2.25e+07 ga 742565 ?-? 2.840 8.504 2.24e+07 ga 725636 ?-? 1.738 8.143 2.24e+07 ga 457238 ?-? 4.531 7.742 2.23e+07 ga 1098771 ?-? 7.176 8.288 2.23e+07 ga 810220 ?-? 4.271 3.791 2.23e+07 ga 536755 ?-? 9.116 0.498 2.22e+07 ga 794558 ?-? 1.009 1.404 2.22e+07 ga 401035 ?-? 3.970 8.056 2.22e+07 ga 1073980 ?-? 4.595 2.617 2.22e+07 ga 284494 ?-? 1.512 7.020 2.20e+07 ga 786965 ?-? 0.902 0.489 2.20e+07 ga 717649 ?-? 6.910 7.609 2.20e+07 ga 710297 ?-? 4.819 1.214 2.18e+07 ga 938270 ?-? 3.090 0.492 2.17e+07 ga 743210 ?-? 1.936 2.936 2.17e+07 ga 479466 ?-? 1.826 3.969 2.16e+07 ga 384826 ?-? 5.224 1.197 2.16e+07 ga 847153 ?-? 2.242 4.058 2.15e+07 ga 538143 ?-? 3.339 0.528 2.13e+07 ga 883098 ?-? 2.987 8.288 2.12e+07 ga 687919 ?-? 9.130 9.266 2.12e+07 ga 499424 ?-? 7.391 3.773 2.12e+07 ga 624700 ?-? 1.937 7.145 2.11e+07 ga 572067 ?-? 4.524 2.946 2.11e+07 ga 563218 ?-? 1.623 4.165 2.09e+07 ga 463919 ?-? 2.843 8.598 2.08e+07 ga 722927 ?-? 1.176 8.056 2.07e+07 ga 865310 ?-? 1.633 2.769 2.06e+07 ga 465815 ?-? 1.671 4.167 2.05e+07 ga 534861 ?-? 4.500 -0.435 2.05e+07 ga 848696 ?-? 2.902 3.288 2.04e+07 ga 478837 ?-? 1.331 0.758 2.04e+07 ga 1265830 ?-? 4.205 8.321 2.04e+07 ga 474748 ?-? 4.201 7.393 2.04e+07 ga 1 ?-? 0.905 1.231 2.03e+07 ga 708595 ?-? 1.934 2.660 2.01e+07 ga 1 ?-? 1.756 3.094 2.01e+07 ga 494819 ?-? 2.218 4.176 2.01e+07 ga 357992 ?-? 5.506 9.096 2.01e+07 ga 455481 ?-? 1.725 4.171 2.01e+07 ga 419443 ?-? 4.734 8.228 2.00e+07 ga 512424 ?-? 4.196 8.431 2.00e+07 ga 524089 ?-? 0.533 8.342 2.00e+07 ga 741080 ?-? 1.937 6.997 1.98e+07 ga 554807 ?-? 3.708 4.218 1.98e+07 ga 561515 ?-? 2.236 8.222 1.97e+07 ga 537085 ?-? 2.754 0.491 1.96e+07 ga 530620 ?-? 0.843 7.929 1.96e+07 ga 696590 ?-? 1.731 0.843 1.96e+07 ga 561038 ?-? 2.843 4.165 1.94e+07 ga 433076 ?-? 1.648 2.972 1.94e+07 ga 541445 ?-? 4.406 7.021 1.93e+07 ga 733978 ?-? 1.602 0.840 1.93e+07 ga 347758 ?-? 1.729 0.742 1.93e+07 ga 423870 ?-? 1.294 8.289 1.93e+07 ga 876488 ?-? 1.683 3.005 1.93e+07 ga 1 ?-? 4.412 1.983 1.92e+07 ga 425645 ?-? 0.366 8.313 1.91e+07 ga 525783 ?-? 3.392 7.074 1.91e+07 ga 337017 ?-? 1.674 3.735 1.89e+07 ga 431816 ?-? 2.611 7.605 1.89e+07 ga 364108 ?-? 4.336 3.770 1.88e+07 ga 385454 ?-? 2.108 6.671 1.88e+07 ga 628277 ?-? 4.731 2.057 1.88e+07 ga 419717 ?-? 1.760 3.614 1.87e+07 ga 1 ?-? 1.701 2.980 1.87e+07 ga 679481 ?-? 1.342 7.173 1.86e+07 ga 707062 ?-? 0.848 0.369 1.86e+07 ga 443363 ?-? 0.748 6.973 1.85e+07 ga 621554 ?-? 1.340 9.349 1.85e+07 ga 614650 ?-? 4.474 0.367 1.84e+07 ga 846128 ?-? 3.707 4.023 1.84e+07 ga 680048 ?-? 7.720 8.064 1.84e+07 ga 639710 ?-? 8.646 8.767 1.84e+07 ga 483305 ?-? 0.494 7.077 1.84e+07 ga 388567 ?-? 1.728 8.194 1.84e+07 ga 854652 ?-? 7.489 8.147 1.84e+07 ga 920787 ?-? 3.347 6.600 1.84e+07 ga 430625 ?-? 6.363 7.148 1.84e+07 ga 408772 ?-? 3.995 7.928 1.83e+07 ga 660053 ?-? 3.285 10.368 1.83e+07 ga 379799 ?-? 1.176 6.996 1.83e+07 ga 665412 ?-? 1.428 8.145 1.83e+07 ga 311252 ?-? 7.467 8.220 1.82e+07 ga 882292 ?-? 1.329 0.742 1.82e+07 ga 891493 ?-? 5.188 1.986 1.82e+07 ga 595429 ?-? 6.950 7.334 1.82e+07 ga 824810 ?-? 4.312 1.103 1.82e+07 ga 293550 ?-? 4.168 9.111 1.81e+07 ga 800228 ?-? 1.583 7.145 1.81e+07 ga 345641 ?-? 0.987 8.310 1.79e+07 ga 583558 ?-? 4.804 8.291 1.79e+07 ga 505374 ?-? 1.625 1.095 1.78e+07 ga 376191 ?-? 2.547 8.941 1.78e+07 ga 388404 ?-? 2.342 2.669 1.78e+07 ga 1 ?-? 6.950 3.736 1.78e+07 ga 610116 ?-? 2.098 2.424 1.78e+07 ga 370558 ?-? 4.402 2.697 1.77e+07 ga 310797 ?-? 1.728 6.724 1.76e+07 ga 583554 ?-? 2.039 9.094 1.76e+07 ga 392164 ?-? 7.808 10.366 1.75e+07 ga 442541 ?-? 6.906 7.579 1.75e+07 ga 680842 ?-? 2.457 7.938 1.74e+07 ga 365500 ?-? 4.412 0.897 1.74e+07 ga 711369 ?-? 3.318 8.287 1.74e+07 ga 616709 ?-? 8.223 8.460 1.73e+07 ga 412596 ?-? 7.147 9.122 1.73e+07 ga 400626 ?-? 1.623 7.471 1.72e+07 ga 524963 ?-? 2.693 7.413 1.72e+07 ga 483817 ?-? 5.371 2.076 1.71e+07 ga 1 ?-? 2.049 1.003 1.71e+07 ga 466904 ?-? 4.786 8.361 1.70e+07 ga 406612 ?-? 2.198 8.490 1.70e+07 ga 528524 ?-? 3.216 0.500 1.69e+07 ga 505114 ?-? 1.830 7.334 1.67e+07 ga 578164 ?-? 3.917 8.463 1.67e+07 ga 498993 ?-? 3.842 4.176 1.67e+07 ga 463598 ?-? 4.485 5.805 1.67e+07 ga 572606 ?-? 3.390 7.183 1.67e+07 ga 361823 ?-? 4.307 9.114 1.67e+07 ga 431855 ?-? 0.364 0.533 1.66e+07 ga 503168 ?-? 4.983 2.903 1.66e+07 ga 1 ?-? 4.529 3.146 1.66e+07 ga 1 ?-? 2.004 7.147 1.66e+07 ga 313935 ?-? 0.526 6.731 1.66e+07 ga 533336 ?-? 1.616 3.737 1.66e+07 ga 309641 ?-? 9.118 8.221 1.66e+07 ga 727031 ?-? 3.769 4.094 1.65e+07 ga 453940 ?-? 5.372 2.006 1.64e+07 ga 343141 ?-? 7.428 9.284 1.64e+07 ga 689101 ?-? 2.752 0.534 1.63e+07 ga 432067 ?-? 2.752 9.120 1.62e+07 ga 1 ?-? 0.799 3.851 1.62e+07 ga 555643 ?-? 6.913 2.113 1.62e+07 ga 1 ?-? 6.811 6.322 1.61e+07 ga 699223 ?-? 1.625 9.109 1.61e+07 ga 546630 ?-? 4.412 0.844 1.61e+07 ga 607197 ?-? 0.488 9.005 1.60e+07 ga 593634 ?-? 3.619 7.335 1.60e+07 ga 662191 ?-? 2.127 7.824 1.60e+07 ga 335165 ?-? 2.752 7.182 1.59e+07 ga 405859 ?-? 4.405 3.782 1.59e+07 ga 259541 ?-? 4.323 1.378 1.59e+07 ga 223535 ?-? 4.730 1.952 1.59e+07 ga 379269 ?-? 3.211 5.673 1.59e+07 ga 405101 ?-? 8.711 5.576 1.57e+07 ga 397269 ?-? 2.088 4.177 1.57e+07 ga 234985 ?-? 3.348 9.115 1.57e+07 ga 558193 ?-? 1.340 8.492 1.57e+07 ga 689192 ?-? 4.820 9.268 1.56e+07 ga 451199 ?-? 4.259 8.432 1.56e+07 ga 584099 ?-? 4.716 8.457 1.55e+07 ga 332448 ?-? 2.886 8.193 1.55e+07 ga 531474 ?-? 2.038 8.371 1.55e+07 ga 406425 ?-? 9.118 8.194 1.55e+07 ga 699918 ?-? 3.398 5.374 1.55e+07 ga 358872 ?-? 2.202 4.041 1.55e+07 ga 499836 ?-? 4.277 6.974 1.52e+07 ga 600685 ?-? 0.843 3.789 1.52e+07 ga 543715 ?-? 7.466 9.111 1.52e+07 ga 741709 ?-? 1.434 7.477 1.52e+07 ga 505710 ?-? 5.222 1.909 1.52e+07 ga 273192 ?-? 0.891 0.741 1.51e+07 ga 4544515 ?-? 4.275 2.709 1.51e+07 ga 1 ?-? 1.447 4.071 1.51e+07 ga 289212 ?-? 3.090 7.176 1.51e+07 ga 530559 ?-? 4.775 8.332 1.50e+07 ga 377425 ?-? 4.231 3.063 1.50e+07 ga 477887 ?-? 0.810 8.696 1.50e+07 ga 590598 ?-? 1.979 7.925 1.50e+07 ga 348306 ?-? 4.028 7.175 1.50e+07 ga 680612 ?-? 4.494 7.906 1.49e+07 ga 397666 ?-? 4.463 7.482 1.49e+07 ga 335005 ?-? 3.364 9.270 1.49e+07 ga 415241 ?-? 6.534 7.177 1.49e+07 ga 403803 ?-? 4.535 2.607 1.48e+07 ga 1 ?-? 4.168 6.721 1.48e+07 ga 591715 ?-? 2.007 4.192 1.48e+07 ga 307496 ?-? 2.607 3.778 1.48e+07 ga 338156 ?-? 1.341 3.091 1.47e+07 ga 455020 ?-? 3.393 9.105 1.47e+07 ga 461978 ?-? 1.003 10.369 1.47e+07 ga 438774 ?-? 2.019 7.824 1.46e+07 ga 544785 ?-? 3.612 4.012 1.46e+07 ga 573127 ?-? 1.602 0.898 1.46e+07 ga 533000 ?-? 4.976 1.987 1.46e+07 ga 333627 ?-? 4.413 7.925 1.45e+07 ga 467973 ?-? 8.196 8.908 1.45e+07 ga 800966 ?-? 4.940 1.008 1.44e+07 ga 409878 ?-? 1.421 3.102 1.44e+07 ga 277508 ?-? 0.538 7.075 1.43e+07 ga 330811 ?-? 3.150 7.622 1.43e+07 ga 294752 ?-? 1.834 6.990 1.43e+07 ga 295621 ?-? 2.969 1.433 1.43e+07 ga 348683 ?-? 3.846 9.138 1.43e+07 ga 517888 ?-? 7.391 7.873 1.43e+07 ga 649253 ?-? 2.044 5.505 1.42e+07 ga 1 ?-? 1.248 7.823 1.42e+07 ga 478679 ?-? 7.335 8.357 1.42e+07 ga 360186 ?-? 3.360 5.275 1.42e+07 ga 336224 ?-? 4.480 8.310 1.42e+07 ga 363846 ?-? 3.311 7.174 1.41e+07 ga 282516 ?-? 1.175 7.144 1.41e+07 ga 459450 ?-? 3.790 9.117 1.40e+07 ga 684086 ?-? 4.948 0.780 1.40e+07 ga 266672 ?-? 1.931 5.582 1.40e+07 ga 394261 ?-? 5.142 1.753 1.39e+07 ga 296029 ?-? 1.832 2.660 1.39e+07 ga 1 ?-? 8.646 0.778 1.38e+07 ga 355432 ?-? 4.347 8.126 1.38e+07 ga 338214 ?-? 3.322 7.138 1.38e+07 ga 270247 ?-? 0.491 7.147 1.37e+07 ga 559821 ?-? 4.948 3.280 1.37e+07 ga 216929 ?-? 4.497 5.272 1.36e+07 ga 365500 ?-? 5.276 8.938 1.36e+07 ga 564508 ?-? 2.544 5.279 1.36e+07 ga 334823 ?-? 4.503 0.368 1.35e+07 ga 595957 ?-? 4.458 1.600 1.35e+07 ga 1 ?-? 6.998 7.807 1.35e+07 ga 316761 ?-? 5.176 7.958 1.35e+07 ga 420342 ?-? 1.607 0.808 1.35e+07 ga 540687 ?-? 7.146 9.346 1.35e+07 ga 337337 ?-? 3.215 7.623 1.34e+07 ga 368941 ?-? 2.659 8.341 1.33e+07 ga 709602 ?-? 2.608 7.395 1.32e+07 ga 1 ?-? 3.703 8.288 1.32e+07 ga 543442 ?-? 1.459 9.400 1.32e+07 ga 385473 ?-? 0.500 6.717 1.31e+07 ga 504916 ?-? 7.311 10.541 1.31e+07 ga 823760 ?-? 6.805 7.550 1.31e+07 ga 362177 ?-? 5.141 8.467 1.31e+07 ga 382995 ?-? 5.230 9.093 1.31e+07 ga 331508 ?-? 1.231 7.873 1.31e+07 ga 341510 ?-? 4.763 7.338 1.30e+07 ga 575412 ?-? 6.671 7.410 1.30e+07 ga 368749 ?-? 4.475 0.743 1.29e+07 ga 402433 ?-? 0.449 7.078 1.29e+07 ga 271681 ?-? 0.028 8.313 1.29e+07 ga 338999 ?-? 0.445 8.766 1.28e+07 ga 536366 ?-? 4.161 6.368 1.28e+07 ga 245979 ?-? 4.784 8.222 1.28e+07 ga 288413 ?-? 3.344 8.502 1.27e+07 ga 406158 ?-? 8.430 8.695 1.27e+07 ga 426736 ?-? 2.062 8.225 1.27e+07 ga 363288 ?-? 7.868 8.266 1.27e+07 ga 418110 ?-? 4.748 1.192 1.27e+07 ga 291544 ?-? 2.972 1.400 1.26e+07 ga 273482 ?-? 1.822 8.852 1.26e+07 ga 257277 ?-? 4.714 2.546 1.26e+07 ga 1 ?-? 3.394 0.534 1.26e+07 ga 373140 ?-? 3.098 0.907 1.26e+07 ga 368726 ?-? 2.123 9.402 1.26e+07 ga 398514 ?-? 1.422 8.292 1.26e+07 ga 301516 ?-? 7.411 8.908 1.25e+07 ga 688057 ?-? 3.335 4.210 1.25e+07 ga 282342 ?-? 2.103 2.630 1.25e+07 ga 1 ?-? 4.288 5.233 1.25e+07 ga 257098 ?-? 4.549 8.340 1.25e+07 ga 401601 ?-? 4.583 8.295 1.25e+07 ga 299566 ?-? 8.313 8.952 1.24e+07 ga 381778 ?-? 2.838 6.721 1.24e+07 ga 314450 ?-? 0.753 8.696 1.24e+07 ga 282454 ?-? 8.339 7.175 1.23e+07 ga 824560 ?-? 6.725 6.338 1.23e+07 ga 453041 ?-? 0.869 9.111 1.23e+07 ga 348311 ?-? 5.225 8.582 1.23e+07 ga 297845 ?-? 2.609 -0.434 1.23e+07 ga 346875 ?-? 4.978 2.505 1.22e+07 ga 212430 ?-? 4.415 5.574 1.22e+07 ga 402403 ?-? 4.984 2.368 1.21e+07 ga 344901 ?-? 4.502 2.115 1.21e+07 ga 1 ?-? 1.901 0.997 1.21e+07 ga 313039 ?-? 4.052 2.433 1.20e+07 ga 1 ?-? 4.476 1.330 1.20e+07 ga 209142 ?-? 4.506 2.023 1.19e+07 ga 1 ?-? 2.841 6.362 1.19e+07 ga 293855 ?-? 6.948 8.341 1.19e+07 ga 578943 ?-? 2.941 4.054 1.18e+07 ga 246933 ?-? 3.148 7.427 1.18e+07 ga 590882 ?-? 5.191 9.105 1.18e+07 ga 577070 ?-? 1.534 3.730 1.18e+07 ga 177159 ?-? 1.330 3.738 1.17e+07 ga 309739 ?-? 1.409 0.869 1.17e+07 ga 253595 ?-? 5.186 3.849 1.17e+07 ga 451235 ?-? 5.226 7.179 1.17e+07 ga 322739 ?-? 4.784 8.408 1.17e+07 ga 232186 ?-? 4.563 5.409 1.17e+07 ga 247953 ?-? 4.400 8.907 1.17e+07 ga 643990 ?-? 0.531 6.997 1.16e+07 ga 468689 ?-? 5.250 8.260 1.16e+07 ga 297354 ?-? 2.885 4.055 1.16e+07 ga 301583 ?-? 4.526 8.193 1.16e+07 ga 817534 ?-? 2.749 7.074 1.15e+07 ga 225454 ?-? 6.912 7.493 1.15e+07 ga 354294 ?-? 0.900 7.398 1.15e+07 ga 419340 ?-? 1.534 6.950 1.15e+07 ga 294326 ?-? 4.477 8.696 1.15e+07 ga 375170 ?-? 1.338 7.141 1.15e+07 ga 520491 ?-? 0.446 6.731 1.14e+07 ga 433349 ?-? 8.353 8.598 1.14e+07 ga 421605 ?-? 1.907 9.099 1.14e+07 ga 288654 ?-? 0.036 0.505 1.13e+07 ga 1 ?-? 2.693 6.668 1.13e+07 ga 447244 ?-? 3.853 7.075 1.13e+07 ga 302812 ?-? 5.146 7.909 1.13e+07 ga 289091 ?-? 0.499 -0.437 1.13e+07 ga 404276 ?-? 5.578 8.404 1.12e+07 ga 248811 ?-? 1.832 6.904 1.12e+07 ga 292337 ?-? 4.978 5.180 1.12e+07 ga 252746 ?-? 2.609 1.727 1.11e+07 ga 219893 ?-? 0.762 5.583 1.11e+07 ga 243620 ?-? 5.512 7.390 1.11e+07 ga 1 ?-? 4.936 9.349 1.10e+07 ga 435355 ?-? 4.404 7.876 1.09e+07 ga 367487 ?-? 0.901 8.144 1.08e+07 ga 249877 ?-? 1.200 0.507 1.08e+07 ga 384688 ?-? 3.005 8.941 1.08e+07 ga 292506 ?-? 2.076 1.229 1.08e+07 ga 186395 ?-? 2.278 7.607 1.08e+07 ga 228851 ?-? 1.599 3.703 1.08e+07 ga 184083 ?-? 0.773 8.766 1.07e+07 ga 272489 ?-? 4.743 0.451 1.07e+07 ga 366639 ?-? 2.534 4.167 1.07e+07 ga 241854 ?-? 5.149 8.145 1.06e+07 ga 363042 ?-? 1.412 9.115 1.06e+07 ga 217585 ?-? 8.505 9.108 1.06e+07 ga 602941 ?-? 1.989 8.371 1.06e+07 ga 364318 ?-? 5.819 8.103 1.06e+07 ga 382993 ?-? 7.396 7.970 1.06e+07 ga 435703 ?-? 1.001 9.102 1.06e+07 ga 302806 ?-? 4.732 7.428 1.06e+07 ga 708613 ?-? 1.211 8.593 1.05e+07 ga 219736 ?-? 4.717 3.019 1.05e+07 ga 360842 ?-? 5.379 7.149 1.05e+07 ga 248625 ?-? 2.755 5.371 1.05e+07 ga 309652 ?-? 4.743 8.767 1.05e+07 ga 449235 ?-? 4.627 2.115 1.05e+07 ga 237197 ?-? 3.093 1.237 1.05e+07 ga 275163 ?-? 4.977 8.589 1.04e+07 ga 233560 ?-? 2.837 6.598 1.04e+07 ga 266687 ?-? 2.203 7.340 1.04e+07 ga 269510 ?-? 4.627 7.410 1.04e+07 ga 363934 ?-? 2.107 6.338 1.04e+07 ga 335405 ?-? 6.598 7.810 1.03e+07 ga 243343 ?-? 4.525 7.924 1.03e+07 ga 281589 ?-? -1.129 0.446 1.03e+07 ga 354763 ?-? 1.936 8.412 1.03e+07 ga 252387 ?-? 1.626 0.778 1.02e+07 ga 296607 ?-? 5.272 3.166 1.02e+07 ga 1 ?-? 0.896 7.927 1.02e+07 ga 352527 ?-? 1.553 0.912 1.01e+07 ga 302325 ?-? 1.754 0.493 1.01e+07 ga 301065 ?-? 2.842 0.509 1.01e+07 ga 185864 ?-? 1.601 7.479 1.01e+07 ga 625010 ?-? 2.582 8.909 9.96e+06 ga 433525 ?-? 5.223 2.040 9.92e+06 ga 184777 ?-? 2.904 8.581 9.91e+06 ga 239336 ?-? 1.834 1.231 9.89e+06 ga 183792 ?-? 4.006 7.977 9.88e+06 ga 229451 ?-? 7.175 7.423 9.85e+06 ga 304198 ?-? 3.776 5.505 9.80e+06 ga 266821 ?-? 4.607 7.599 9.79e+06 ga 268430 ?-? 2.031 5.575 9.78e+06 ga 256041 ?-? 8.466 -0.433 9.76e+06 ga 404323 ?-? 7.741 7.929 9.76e+06 ga 249077 ?-? 7.641 8.127 9.70e+06 ga 242732 ?-? 1.241 7.174 9.68e+06 ga 356455 ?-? 4.120 8.493 9.68e+06 ga 621757 ?-? 4.286 7.820 9.67e+06 ga 507161 ?-? 4.780 6.913 9.63e+06 ga 286527 ?-? 4.465 0.811 9.63e+06 ga 286956 ?-? 7.944 8.289 9.60e+06 ga 263813 ?-? 1.676 7.467 9.58e+06 ga 362795 ?-? 4.979 2.114 9.54e+06 ga 225999 ?-? 3.220 6.597 9.52e+06 ga 268158 ?-? 2.535 8.354 9.50e+06 ga 335455 ?-? 5.221 1.466 9.48e+06 ga 179417 ?-? 7.397 7.609 9.42e+06 ga 229336 ?-? 3.003 5.268 9.35e+06 ga 270184 ?-? 0.757 3.787 9.33e+06 ga 240020 ?-? 3.185 7.782 9.33e+06 ga 262009 ?-? 2.130 2.976 9.30e+06 ga 189443 ?-? 4.949 10.369 9.29e+06 ga 283984 ?-? 4.975 9.349 9.27e+06 ga 228900 ?-? 4.948 0.531 9.26e+06 ga 256071 ?-? 3.145 7.742 9.26e+06 ga 259896 ?-? 4.676 9.000 9.25e+06 ga 539339 ?-? 1.906 1.196 9.24e+06 ga 288908 ?-? 3.278 9.135 9.22e+06 ga 287872 ?-? -1.132 8.646 9.22e+06 ga 220914 ?-? 6.998 8.342 9.21e+06 ga 600789 ?-? 4.502 7.824 9.16e+06 ga 220670 ?-? 8.293 8.572 9.14e+06 ga 230156 ?-? 0.504 8.311 9.14e+06 ga 217385 ?-? 6.868 7.646 9.12e+06 ga 293442 ?-? 1.934 3.971 9.11e+06 ga 253064 ?-? 1.215 9.270 9.05e+06 ga 283758 ?-? 2.903 7.811 9.04e+06 ga 289619 ?-? 4.596 8.358 8.98e+06 ga 257035 ?-? 2.018 1.188 8.97e+06 ga 211020 ?-? 2.695 0.841 8.94e+06 ga 263617 ?-? 3.853 7.181 8.93e+06 ga 247707 ?-? 2.884 8.906 8.92e+06 ga 387629 ?-? 2.176 2.836 8.92e+06 ga 319431 ?-? 2.613 7.743 8.91e+06 ga 197695 ?-? 3.013 0.991 8.85e+06 ga 258558 ?-? 3.781 4.044 8.78e+06 ga 320480 ?-? 3.352 7.813 8.73e+06 ga 145434 ?-? 4.822 5.422 8.72e+06 ga 264739 ?-? 0.365 8.943 8.71e+06 ga 211316 ?-? 3.973 8.339 8.69e+06 ga 350753 ?-? -0.434 10.541 8.67e+06 ga 384200 ?-? 4.380 5.508 8.65e+06 ga 384394 ?-? 5.673 7.811 8.64e+06 ga 296868 ?-? 3.957 4.181 8.62e+06 ga 385611 ?-? -0.430 7.308 8.62e+06 ga 251288 ?-? 0.992 9.131 8.61e+06 ga 303903 ?-? 1.412 7.877 8.60e+06 ga 241437 ?-? 5.820 8.648 8.60e+06 ga 318116 ?-? 4.133 8.466 8.55e+06 ga 225066 ?-? 3.928 8.102 8.51e+06 ga 303732 ?-? 4.029 1.003 8.50e+06 ga 346386 ?-? 3.006 7.176 8.47e+06 ga 307005 ?-? 5.191 0.500 8.46e+06 ga 322689 ?-? 1.479 8.641 8.43e+06 ga 229762 ?-? 1.710 7.875 8.43e+06 ga 177983 ?-? 1.941 9.352 8.41e+06 ga 271183 ?-? 4.742 8.354 8.40e+06 ga 252485 ?-? 2.007 5.587 8.39e+06 ga 302536 ?-? 3.733 9.109 8.39e+06 ga 266244 ?-? 4.308 0.781 8.38e+06 ga 388687 ?-? 3.785 4.073 8.38e+06 ga 376812 ?-? 0.363 8.461 8.35e+06 ga 209547 ?-? 3.335 6.532 8.35e+06 ga 231983 ?-? 4.121 7.022 8.35e+06 ga 209289 ?-? 1.713 3.100 8.34e+06 ga 292622 ?-? 1.003 8.460 8.32e+06 ga 338450 ?-? 2.654 4.194 8.27e+06 ga 244713 ?-? 2.041 9.120 8.21e+06 ga 223003 ?-? 2.999 1.253 8.20e+06 ga 279857 ?-? 4.946 8.645 8.18e+06 ga 230386 ?-? 3.218 9.142 8.16e+06 ga 265049 ?-? 7.479 7.923 8.15e+06 ga 386790 ?-? 1.194 8.106 8.13e+06 ga 317203 ?-? 2.017 9.399 8.12e+06 ga 303967 ?-? 5.186 0.811 8.12e+06 ga 171065 ?-? 0.777 9.107 8.11e+06 ga 211439 ?-? 1.986 8.310 8.08e+06 ga 208096 ?-? 1.232 7.339 8.05e+06 ga 246071 ?-? 1.728 3.806 8.04e+06 ga 748841 ?-? 3.288 8.419 8.01e+06 ga 229082 ?-? 1.727 0.365 8.01e+06 ga 315811 ?-? 4.652 5.259 8.00e+06 ga 311330 ?-? 0.897 7.742 8.00e+06 ga 369528 ?-? 3.286 5.677 7.97e+06 ga 1 ?-? 4.507 8.312 7.97e+06 ga 393452 ?-? 6.952 3.705 7.96e+06 ga 334141 ?-? 0.490 7.812 7.94e+06 ga 221473 ?-? 8.057 2.990 7.88e+06 ga 261360 ?-? 1.830 7.147 7.84e+06 ga 169067 ?-? 1.926 8.767 7.82e+06 ga 260899 ?-? 2.899 7.140 7.81e+06 ga 188975 ?-? 1.235 8.288 7.76e+06 ga 353445 ?-? 8.057 3.044 7.76e+06 ga 1 ?-? 7.146 7.621 7.75e+06 ga 294645 ?-? 1.914 8.433 7.65e+06 ga 325617 ?-? 3.786 6.971 7.60e+06 ga 348736 ?-? 4.164 8.596 7.59e+06 ga 257604 ?-? 3.209 10.368 7.59e+06 ga 198355 ?-? 2.609 10.538 7.59e+06 ga 287439 ?-? 0.449 6.976 7.57e+06 ga 205654 ?-? 4.052 8.195 7.56e+06 ga 247713 ?-? 8.341 7.149 7.55e+06 ga 264603 ?-? 2.526 6.365 7.48e+06 ga 172089 ?-? 2.203 4.071 7.46e+06 ga 370892 ?-? 4.238 9.263 7.46e+06 ga 214338 ?-? 2.004 1.229 7.45e+06 ga 180328 ?-? 1.821 1.143 7.41e+06 ga 325997 ?-? 1.212 3.852 7.37e+06 ga 219184 ?-? 2.027 8.765 7.34e+06 ga 198987 ?-? 8.855 9.401 7.30e+06 ga 340072 ?-? 6.521 7.815 7.30e+06 ga 212069 ?-? 9.106 10.367 7.30e+06 ga 152886 ?-? 4.491 3.912 7.28e+06 ga 208315 ?-? 3.059 0.506 7.27e+06 ga 301722 ?-? 3.153 8.214 7.27e+06 ga 222940 ?-? 6.803 7.094 7.23e+06 ga 642218 ?-? 2.846 9.108 7.20e+06 ga 282191 ?-? 4.398 7.405 7.20e+06 ga 234905 ?-? 4.287 5.186 7.19e+06 ga 221594 ?-? 1.237 8.485 7.18e+06 ga 208395 ?-? 7.404 3.796 7.16e+06 ga 232895 ?-? 6.889 6.323 7.14e+06 ga 320482 ?-? 3.318 8.054 7.11e+06 ga 185777 ?-? 3.010 6.793 7.07e+06 ga 218608 ?-? 2.548 7.174 7.07e+06 ga 366448 ?-? 6.969 9.117 6.98e+06 ga 309660 ?-? 9.078 8.195 6.94e+06 ga 294713 ?-? 2.614 8.222 6.94e+06 ga 246086 ?-? 1.582 8.339 6.93e+06 ga 230193 ?-? 4.675 0.492 6.89e+06 ga 380896 ?-? 0.898 -0.431 6.88e+06 ga 213834 ?-? 1.297 3.707 6.88e+06 ga 255892 ?-? 3.354 9.293 6.88e+06 ga 298998 ?-? 1.145 4.201 6.87e+06 ga 331380 ?-? 1.584 6.952 6.86e+06 ga 234395 ?-? 6.905 8.112 6.84e+06 ga 281430 ?-? 3.702 7.175 6.84e+06 ga 252298 ?-? 2.121 9.120 6.80e+06 ga 186900 ?-? 4.240 -0.433 6.79e+06 ga 246294 ?-? 5.683 7.613 6.78e+06 ga 229806 ?-? 0.988 7.175 6.76e+06 ga 332702 ?-? 2.695 6.336 6.74e+06 ga 253993 ?-? 4.272 2.589 6.74e+06 ga 345886 ?-? 1.489 4.070 6.71e+06 ga 237653 ?-? 2.690 0.806 6.68e+06 ga 269755 ?-? 5.377 7.181 6.67e+06 ga 152725 ?-? 4.203 7.146 6.64e+06 ga 177971 ?-? 3.389 0.490 6.61e+06 ga 227707 ?-? 3.971 8.287 6.61e+06 ga 192963 ?-? 0.907 8.504 6.55e+06 ga 205202 ?-? 1.195 9.003 6.54e+06 ga 358195 ?-? 1.559 0.823 6.53e+06 ga 289601 ?-? 2.980 1.466 6.51e+06 ga 230961 ?-? 0.807 6.795 6.50e+06 ga 171614 ?-? 1.183 7.179 6.45e+06 ga 139510 ?-? 4.299 8.097 6.44e+06 ga 184547 ?-? 1.902 8.153 6.43e+06 ga 190504 ?-? 4.987 1.954 6.43e+06 ga 258640 ?-? 0.535 7.810 6.42e+06 ga 175107 ?-? 3.613 2.210 6.41e+06 ga 188994 ?-? 0.797 8.505 6.41e+06 ga 291889 ?-? 4.308 0.762 6.39e+06 ga 273537 ?-? 1.728 3.148 6.37e+06 ga 1 ?-? 7.871 8.358 6.35e+06 ga 200320 ?-? 3.308 6.734 6.34e+06 ga 243107 ?-? 3.616 2.249 6.32e+06 ga 181720 ?-? 5.179 2.042 6.30e+06 ga 204576 ?-? 4.411 3.741 6.29e+06 ga 144221 ?-? 4.169 8.195 6.28e+06 ga 221397 ?-? 2.616 7.311 6.25e+06 ga 196286 ?-? 3.284 6.598 6.22e+06 ga 151111 ?-? 8.647 0.807 6.22e+06 ga 232192 ?-? 2.985 7.341 6.22e+06 ga 196325 ?-? 1.982 8.694 6.22e+06 ga 170059 ?-? 1.707 9.140 6.21e+06 ga 327108 ?-? 2.060 9.284 6.15e+06 ga 177483 ?-? 4.119 7.336 6.14e+06 ga 333175 ?-? 5.816 7.070 6.13e+06 ga 175266 ?-? 4.947 3.222 6.10e+06 ga 258637 ?-? 1.995 1.111 6.10e+06 ga 221896 ?-? 4.225 7.474 6.07e+06 ga 170087 ?-? 4.194 8.146 6.04e+06 ga 194253 ?-? 2.363 7.850 6.00e+06 ga 179712 ?-? 1.086 9.108 5.99e+06 ga 196955 ?-? 4.381 8.846 5.95e+06 ga 185449 ?-? 2.541 0.812 5.94e+06 ga 226385 ?-? 4.519 7.483 5.94e+06 ga 216342 ?-? 0.791 7.176 5.93e+06 ga 215853 ?-? 8.281 1.141 5.89e+06 ga 250233 ?-? 2.655 7.148 5.89e+06 ga 156641 ?-? 4.982 8.366 5.88e+06 ga 199335 ?-? 3.393 7.806 5.85e+06 ga 323209 ?-? 2.653 6.944 5.84e+06 ga 179007 ?-? 1.416 0.363 5.83e+06 ga 303587 ?-? 2.137 5.584 5.82e+06 ga 172912 ?-? 1.739 7.403 5.81e+06 ga 237345 ?-? 3.088 7.333 5.76e+06 ga 275020 ?-? 2.132 1.198 5.69e+06 ga 269556 ?-? 4.173 8.223 5.69e+06 ga 185452 ?-? 1.544 2.892 5.68e+06 ga 234030 ?-? 0.818 6.727 5.62e+06 ga 209106 ?-? 7.746 8.367 5.61e+06 ga 257723 ?-? 2.545 1.250 5.61e+06 ga 227523 ?-? 1.337 8.696 5.60e+06 ga 207561 ?-? 4.627 7.793 5.59e+06 ga 203954 ?-? 7.341 8.286 5.55e+06 ga 286026 ?-? 7.213 8.137 5.54e+06 ga 258585 ?-? 4.731 2.330 5.53e+06 ga 138530 ?-? 3.147 7.308 5.52e+06 ga 244169 ?-? 9.117 0.543 5.52e+06 ga 191729 ?-? 8.939 1.411 5.52e+06 ga 224453 ?-? -0.437 1.728 5.48e+06 ga 230757 ?-? 1.748 1.171 5.48e+06 ga 191076 ?-? 0.798 7.335 5.42e+06 ga 273790 ?-? 8.316 -0.434 5.42e+06 ga 242683 ?-? 2.663 6.993 5.41e+06 ga 234834 ?-? 0.447 8.104 5.36e+06 ga 1 ?-? 4.762 0.998 5.31e+06 ga 178793 ?-? 4.505 9.269 5.29e+06 ga 197824 ?-? 2.944 8.907 5.28e+06 ga 279070 ?-? 4.523 8.907 5.25e+06 ga 318958 ?-? 1.730 0.525 5.23e+06 ga 322638 ?-? 0.445 7.181 5.23e+06 ga 241720 ?-? 0.844 7.743 5.22e+06 ga 342044 ?-? 8.349 9.335 5.21e+06 ga 280177 ?-? 5.504 7.814 5.19e+06 ga 226202 ?-? 2.039 8.651 5.19e+06 ga 168374 ?-? 1.549 3.696 5.16e+06 ga 165506 ?-? 1.906 7.087 5.13e+06 ga 196051 ?-? 1.181 0.534 5.10e+06 ga 202142 ?-? 3.285 7.620 5.08e+06 ga 168125 ?-? 6.971 8.220 5.07e+06 ga 340913 ?-? 7.604 8.144 5.07e+06 ga 262166 ?-? 2.082 1.252 5.05e+06 ga 293244 ?-? 4.278 6.670 4.98e+06 ga 332816 ?-? 7.333 3.713 4.96e+06 ga 255826 ?-? -0.436 7.428 4.95e+06 ga 289640 ?-? 0.806 9.120 4.93e+06 ga 336785 ?-? 6.721 9.112 4.92e+06 ga 308329 ?-? 7.078 9.109 4.91e+06 ga 214167 ?-? 0.900 7.487 4.85e+06 ga 188755 ?-? 2.049 8.341 4.84e+06 ga 218397 ?-? 4.063 8.859 4.82e+06 ga 209313 ?-? 1.251 6.796 4.80e+06 ga 281991 ?-? 7.340 3.744 4.78e+06 ga 179928 ?-? 3.845 9.002 4.72e+06 ga 216513 ?-? 3.366 7.430 4.71e+06 ga 272916 ?-? 3.619 7.468 4.70e+06 ga 294107 ?-? 2.839 8.357 4.68e+06 ga 1 ?-? 4.380 7.474 4.68e+06 ga 170595 ?-? 3.794 8.195 4.56e+06 ga 259557 ?-? 3.010 1.436 4.55e+06 ga 261401 ?-? 8.220 -0.435 4.51e+06 ga 176841 ?-? 2.987 1.012 4.37e+06 ga 157611 ?-? 4.730 3.151 4.33e+06 ga 187901 ?-? 0.989 6.795 4.29e+06 ga 211091 ?-? 6.525 8.507 4.28e+06 ga 139140 ?-? 4.711 7.175 4.26e+06 ga 157890 ?-? 0.614 9.109 4.24e+06 ga 168757 ?-? 4.406 8.939 4.20e+06 ga 165604 ?-? 0.362 10.541 4.12e+06 ga 223190 ?-? 0.492 5.816 4.12e+06 ga 157266 ?-? 1.721 8.220 4.10e+06 ga 248302 ?-? 7.310 0.617 4.09e+06 ga 192401 ?-? 7.074 9.002 4.09e+06 ga 178693 ?-? 5.267 -0.430 4.06e+06 ga 175696 ?-? 0.361 6.729 4.05e+06 ga 201775 ?-? 1.138 8.855 3.92e+06 ga 172510 ?-? 1.939 6.948 3.91e+06 ga 175775 ?-? 1.342 3.713 3.90e+06 ga 221456 ?-? 4.978 7.149 3.88e+06 ga 193335 ?-? 4.167 7.469 3.85e+06 ga 160972 ?-? 4.279 8.906 3.79e+06 ga 210443 ?-? 2.535 7.824 3.67e+06 ga 174027 ?-? 7.154 10.363 3.58e+06 ga 214973 ?-? 8.945 0.747 3.57e+06 ga 174964 ?-? 1.248 8.458 3.57e+06 ga 190526 ?-? 2.656 8.286 3.53e+06 ga 239354 ?-? 0.909 6.944 3.48e+06 ga 223998 ?-? 9.278 7.628 3.41e+06 ga 166245 ?-? 7.172 8.647 3.37e+06 ga 170177 ?-? 3.615 8.503 3.36e+06 ga 196702 ?-? 4.714 2.990 3.34e+06 ga 211595 ?-? 7.425 8.496 3.33e+06 ga 193383 ?-? 5.232 7.072 3.31e+06 ga 177984 ?-? 4.056 8.223 3.29e+06 ga 190460 ?-? 0.482 7.961 3.23e+06 ga 172133 ?-? 0.444 8.646 3.20e+06 ga 155193 ?-? 0.786 7.072 3.19e+06 ga 203568 ?-? 1.741 7.426 3.11e+06 ga 205305 ?-? 5.268 7.631 3.07e+06 ga 166737 ?-? 4.059 7.744 2.79e+06 ga 199697 ?-? 4.197 6.359 2.74e+06 ga 210771 ?-? 9.113 0.526 2.55e+06 ga 218049 ?-? 3.801 6.984 2.54e+06 ga 290618 ?-? 0.505 8.649 2.38e+06 ga 150724 ?-? 1.986 1.248 1.90e+06 ga 154664 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . 'not observed' 12 ppm . . . 4.67 . . 31115 1 2 . . H 1 H . 'not observed' 12 ppm . . . 4.67 . . 31115 1 stop_ save_