data_31116 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31116 _Entry.Title ; Site-specific Aspartic Acid Dehydration and Isomerization in Streptococcal Protein GB1: D-isoAsp40 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. . . 31116 2 A. Guseman A. J. . . 31116 3 A. Gronenborn A. M. . . 31116 4 W. Horne W. S. . . 31116 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'IMMUNE SYSTEM' . 31116 'immunoglobulin binding domain' . 31116 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31116 spectral_peak_list 1 31116 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 386 31116 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 . 31116 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8UMA 'BMRB Entry Tracking System' 31116 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31116 _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. . . 31116 1 2 A. Guseman A. J. . . 31116 1 3 A. Gronenborn A. M. . . 31116 1 4 W. Horne W. S. . . 31116 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31116 _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 . . . . . . 31116 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31116 _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 . 31116 1 2 . GLN . 31116 1 3 . TYR . 31116 1 4 . LYS . 31116 1 5 . LEU . 31116 1 6 . ILE . 31116 1 7 . LEU . 31116 1 8 . ASN . 31116 1 9 . GLY . 31116 1 10 . LYS . 31116 1 11 . THR . 31116 1 12 . LEU . 31116 1 13 . LYS . 31116 1 14 . GLY . 31116 1 15 . GLU . 31116 1 16 . THR . 31116 1 17 . THR . 31116 1 18 . THR . 31116 1 19 . GLU . 31116 1 20 . ALA . 31116 1 21 . VAL . 31116 1 22 . ASP . 31116 1 23 . ALA . 31116 1 24 . ALA . 31116 1 25 . THR . 31116 1 26 . ALA . 31116 1 27 . GLU . 31116 1 28 . LYS . 31116 1 29 . VAL . 31116 1 30 . PHE . 31116 1 31 . LYS . 31116 1 32 . GLN . 31116 1 33 . TYR . 31116 1 34 . ALA . 31116 1 35 . ASN . 31116 1 36 . ASP . 31116 1 37 . ASN . 31116 1 38 . GLY . 31116 1 39 . VAL . 31116 1 40 . DAS . 31116 1 41 . GLY . 31116 1 42 . GLU . 31116 1 43 . TRP . 31116 1 44 . THR . 31116 1 45 . TYR . 31116 1 46 . ASP . 31116 1 47 . ASP . 31116 1 48 . ALA . 31116 1 49 . THR . 31116 1 50 . LYS . 31116 1 51 . THR . 31116 1 52 . PHE . 31116 1 53 . THR . 31116 1 54 . VAL . 31116 1 55 . THR . 31116 1 56 . GLU . 31116 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 31116 1 . GLN 2 2 31116 1 . TYR 3 3 31116 1 . LYS 4 4 31116 1 . LEU 5 5 31116 1 . ILE 6 6 31116 1 . LEU 7 7 31116 1 . ASN 8 8 31116 1 . GLY 9 9 31116 1 . LYS 10 10 31116 1 . THR 11 11 31116 1 . LEU 12 12 31116 1 . LYS 13 13 31116 1 . GLY 14 14 31116 1 . GLU 15 15 31116 1 . THR 16 16 31116 1 . THR 17 17 31116 1 . THR 18 18 31116 1 . GLU 19 19 31116 1 . ALA 20 20 31116 1 . VAL 21 21 31116 1 . ASP 22 22 31116 1 . ALA 23 23 31116 1 . ALA 24 24 31116 1 . THR 25 25 31116 1 . ALA 26 26 31116 1 . GLU 27 27 31116 1 . LYS 28 28 31116 1 . VAL 29 29 31116 1 . PHE 30 30 31116 1 . LYS 31 31 31116 1 . GLN 32 32 31116 1 . TYR 33 33 31116 1 . ALA 34 34 31116 1 . ASN 35 35 31116 1 . ASP 36 36 31116 1 . ASN 37 37 31116 1 . GLY 38 38 31116 1 . VAL 39 39 31116 1 . DAS 40 40 31116 1 . GLY 41 41 31116 1 . GLU 42 42 31116 1 . TRP 43 43 31116 1 . THR 44 44 31116 1 . TYR 45 45 31116 1 . ASP 46 46 31116 1 . ASP 47 47 31116 1 . ALA 48 48 31116 1 . THR 49 49 31116 1 . LYS 50 50 31116 1 . THR 51 51 31116 1 . PHE 52 52 31116 1 . THR 53 53 31116 1 . VAL 54 54 31116 1 . THR 55 55 31116 1 . GLU 56 56 31116 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 31116 _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 . . . . . . . . . . . . . . 31116 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 31116 _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' . . . . . . . . . . . . . . . . 31116 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 31116 _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 31116 DAS C([C@H](C(=O)O)N)C(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 31116 DAS CKLJMWTZIZZHCS-UWTATZPHSA-N InChIKey InChI 1.03 31116 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 31116 DAS N[C@H](CC(O)=O)C(O)=O SMILES_CANONICAL CACTVS 3.341 31116 DAS N[CH](CC(O)=O)C(O)=O SMILES CACTVS 3.341 31116 DAS O=C(O)CC(N)C(=O)O SMILES ACDLabs 10.04 31116 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 31116 DAS 'D-aspartic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 31116 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 . 31116 DAS CA CA CA CA . C . . R 0 . . . 1 N N . . . . 18.873 . 59.859 . 30.954 . 0.266 0.365 -0.472 2 . 31116 DAS C C C C . C . . N 0 . . . 1 N N . . . . 19.982 . 60.297 . 29.948 . -0.163 0.007 -1.872 3 . 31116 DAS O O O O . O . . N 0 . . . 1 N N . . . . 19.687 . 60.632 . 28.810 . 0.320 -0.951 -2.425 4 . 31116 DAS CB CB CB CB . C . . N 0 . . . 1 N N . . . . 18.788 . 60.798 . 32.128 . -0.634 -0.350 0.535 5 . 31116 DAS CG CG CG CG . C . . N 0 . . . 1 N N . . . . 18.684 . 62.225 . 31.716 . -0.205 0.007 1.935 6 . 31116 DAS OD1 OD1 OD1 OD1 . O . . N 0 . . . 1 N N . . . . 17.604 . 62.665 . 31.218 . 0.725 0.757 2.108 7 . 31116 DAS OD2 OD2 OD2 OD2 . O . . N 0 . . . 1 N N . . . . 19.688 . 62.908 . 31.932 . -0.857 -0.507 2.989 8 . 31116 DAS OXT OXT OXT OXT . O . . N 0 . . . 1 N Y . . . . 21.246 . 60.177 . 30.330 . -1.082 0.754 -2.503 9 . 31116 DAS H H H H . H . . N 0 . . . 1 N N . . . . 16.857 . 59.460 . 30.922 . 2.199 0.359 -1.012 10 . 31116 DAS H2 H2 H2 HN2 . H . . N 0 . . . 1 N Y . . . . 17.633 . 59.124 . 29.458 . 1.687 -1.051 -0.405 11 . 31116 DAS HA HA HA HA . H . . N 0 . . . 1 N N . . . . 19.145 . 58.856 . 31.359 . 0.185 1.442 -0.331 12 . 31116 DAS HB2 HB2 HB2 1HB . H . . N 0 . . . 1 N N . . . . 17.949 . 60.515 . 32.806 . -1.668 -0.040 0.382 13 . 31116 DAS HB3 HB3 HB3 2HB . H . . N 0 . . . 1 N N . . . . 19.644 . 60.644 . 32.825 . -0.553 -1.428 0.395 14 . 31116 DAS HD2 HD2 HD2 HD2 . H . . N 0 . . . 1 N N . . . . 19.621 . 63.818 . 31.669 . -0.582 -0.277 3.887 15 . 31116 DAS HXT HXT HXT HXT . H . . N 0 . . . 1 N Y . . . . 21.921 . 60.443 . 29.717 . -1.358 0.524 -3.401 16 . 31116 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 . 31116 DAS 2 . SING N H N N 2 . 31116 DAS 3 . SING N H2 N N 3 . 31116 DAS 4 . SING CA C N N 4 . 31116 DAS 5 . SING CA CB N N 5 . 31116 DAS 6 . SING CA HA N N 6 . 31116 DAS 7 . DOUB C O N N 7 . 31116 DAS 8 . SING C OXT N N 8 . 31116 DAS 9 . SING CB CG N N 9 . 31116 DAS 10 . SING CB HB2 N N 10 . 31116 DAS 11 . SING CB HB3 N N 11 . 31116 DAS 12 . DOUB CG OD1 N N 12 . 31116 DAS 13 . SING CG OD2 N N 13 . 31116 DAS 14 . SING OD2 HD2 N N 14 . 31116 DAS 15 . SING OXT HXT N N 15 . 31116 DAS stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31116 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.17 mM B1 Domain of Streptococcal Protein G, D-isoAsp40 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-isoAsp40 Variant' 'natural abundance' . . 1 $entity_1 . . 0.17 . . mM . . . . 31116 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 31116 1 3 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 31116 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 31116 _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 31116 1 pH 7 . pH* 31116 1 pressure 1 . atm 31116 1 temperature 298 . K 31116 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31116 _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' . . 31116 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 31116 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31116 _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' . . 31116 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 31116 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31116 _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" . . 31116 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 31116 3 'structure calculation' . 31116 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 31116 _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 31116 _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 . . . 31116 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 31116 _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 . . . . . . . . . . . . . . . . . 31116 1 2 '2D 1H-1H COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31116 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31116 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 31116 _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 . . . . . 31116 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 31116 _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' . . . 31116 1 2 '2D 1H-1H COSY' . . . 31116 1 3 '2D 1H-1H NOESY' . . . 31116 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 0.002 . 1 . . . . A 1 MET HA . 31116 1 2 . 1 . 1 1 1 MET HB2 H 1 2.196 0.000 . 2 . . . . A 1 MET HB2 . 31116 1 3 . 1 . 1 1 1 MET HB3 H 1 2.094 0.000 . 2 . . . . A 1 MET HB3 . 31116 1 4 . 1 . 1 1 1 MET HG2 H 1 2.429 0.000 . 1 . . . . A 1 MET HG2 . 31116 1 5 . 1 . 1 1 1 MET HG3 H 1 2.429 0.000 . 1 . . . . A 1 MET HG3 . 31116 1 6 . 1 . 1 1 1 MET HE1 H 1 2.130 0.000 . 1 . . . . A 1 MET HE1 . 31116 1 7 . 1 . 1 1 1 MET HE2 H 1 2.130 0.000 . 1 . . . . A 1 MET HE2 . 31116 1 8 . 1 . 1 1 1 MET HE3 H 1 2.130 0.000 . 1 . . . . A 1 MET HE3 . 31116 1 9 . 1 . 1 2 2 GLN H H 1 8.356 0.000 . 1 . . . . A 2 GLN H . 31116 1 10 . 1 . 1 2 2 GLN HA H 1 4.988 0.002 . 1 . . . . A 2 GLN HA . 31116 1 11 . 1 . 1 2 2 GLN HB2 H 1 2.035 0.000 . 2 . . . . A 2 GLN HB2 . 31116 1 12 . 1 . 1 2 2 GLN HB3 H 1 1.991 0.000 . 2 . . . . A 2 GLN HB3 . 31116 1 13 . 1 . 1 2 2 GLN HG2 H 1 2.364 0.001 . 2 . . . . A 2 GLN HG2 . 31116 1 14 . 1 . 1 2 2 GLN HG3 H 1 2.133 0.001 . 2 . . . . A 2 GLN HG3 . 31116 1 15 . 1 . 1 2 2 GLN HE21 H 1 6.919 0.000 . 2 . . . . A 2 GLN HE21 . 31116 1 16 . 1 . 1 2 2 GLN HE22 H 1 7.849 0.000 . 2 . . . . A 2 GLN HE22 . 31116 1 17 . 1 . 1 3 3 TYR H H 1 9.124 0.000 . 1 . . . . A 3 TYR H . 31116 1 18 . 1 . 1 3 3 TYR HA H 1 5.388 0.000 . 1 . . . . A 3 TYR HA . 31116 1 19 . 1 . 1 3 3 TYR HB2 H 1 3.408 0.002 . 2 . . . . A 3 TYR HB2 . 31116 1 20 . 1 . 1 3 3 TYR HB3 H 1 2.756 0.000 . 2 . . . . A 3 TYR HB3 . 31116 1 21 . 1 . 1 3 3 TYR HD1 H 1 7.151 0.000 . 1 . . . . A 3 TYR HD1 . 31116 1 22 . 1 . 1 3 3 TYR HD2 H 1 7.151 0.000 . 1 . . . . A 3 TYR HD2 . 31116 1 23 . 1 . 1 3 3 TYR HE1 H 1 6.929 0.000 . 1 . . . . A 3 TYR HE1 . 31116 1 24 . 1 . 1 3 3 TYR HE2 H 1 6.929 0.000 . 1 . . . . A 3 TYR HE2 . 31116 1 25 . 1 . 1 4 4 LYS H H 1 9.106 0.001 . 1 . . . . A 4 LYS H . 31116 1 26 . 1 . 1 4 4 LYS HA H 1 5.233 0.002 . 1 . . . . A 4 LYS HA . 31116 1 27 . 1 . 1 4 4 LYS HB2 H 1 2.048 0.001 . 2 . . . . A 4 LYS HB2 . 31116 1 28 . 1 . 1 4 4 LYS HB3 H 1 1.907 0.002 . 2 . . . . A 4 LYS HB3 . 31116 1 29 . 1 . 1 4 4 LYS HG2 H 1 1.475 0.001 . 2 . . . . A 4 LYS HG2 . 31116 1 30 . 1 . 1 4 4 LYS HG3 H 1 1.352 0.001 . 2 . . . . A 4 LYS HG3 . 31116 1 31 . 1 . 1 4 4 LYS HD2 H 1 1.632 0.004 . 1 . . . . A 4 LYS HD2 . 31116 1 32 . 1 . 1 4 4 LYS HD3 H 1 1.632 0.004 . 1 . . . . A 4 LYS HD3 . 31116 1 33 . 1 . 1 4 4 LYS HE2 H 1 2.856 0.002 . 2 . . . . A 4 LYS HE2 . 31116 1 34 . 1 . 1 4 4 LYS HE3 H 1 2.792 0.001 . 2 . . . . A 4 LYS HE3 . 31116 1 35 . 1 . 1 5 5 LEU H H 1 8.644 0.000 . 1 . . . . A 5 LEU H . 31116 1 36 . 1 . 1 5 5 LEU HA H 1 4.943 0.002 . 1 . . . . A 5 LEU HA . 31116 1 37 . 1 . 1 5 5 LEU HB2 H 1 0.801 0.002 . 2 . . . . A 5 LEU HB2 . 31116 1 38 . 1 . 1 5 5 LEU HB3 H 1 -1.108 0.001 . 2 . . . . A 5 LEU HB3 . 31116 1 39 . 1 . 1 5 5 LEU HG H 1 0.881 0.002 . 1 . . . . A 5 LEU HG . 31116 1 40 . 1 . 1 5 5 LEU HD11 H 1 0.502 0.001 . 2 . . . . A 5 LEU HD11 . 31116 1 41 . 1 . 1 5 5 LEU HD12 H 1 0.502 0.001 . 2 . . . . A 5 LEU HD12 . 31116 1 42 . 1 . 1 5 5 LEU HD13 H 1 0.502 0.001 . 2 . . . . A 5 LEU HD13 . 31116 1 43 . 1 . 1 5 5 LEU HD21 H 1 0.576 0.001 . 2 . . . . A 5 LEU HD21 . 31116 1 44 . 1 . 1 5 5 LEU HD22 H 1 0.576 0.001 . 2 . . . . A 5 LEU HD22 . 31116 1 45 . 1 . 1 5 5 LEU HD23 H 1 0.576 0.001 . 2 . . . . A 5 LEU HD23 . 31116 1 46 . 1 . 1 6 6 ILE H H 1 9.074 0.001 . 1 . . . . A 6 ILE H . 31116 1 47 . 1 . 1 6 6 ILE HA H 1 4.277 0.000 . 1 . . . . A 6 ILE HA . 31116 1 48 . 1 . 1 6 6 ILE HB H 1 1.981 0.001 . 1 . . . . A 6 ILE HB . 31116 1 49 . 1 . 1 6 6 ILE HG12 H 1 1.414 0.002 . 2 . . . . A 6 ILE HG12 . 31116 1 50 . 1 . 1 6 6 ILE HG13 H 1 1.090 0.001 . 2 . . . . A 6 ILE HG13 . 31116 1 51 . 1 . 1 6 6 ILE HG21 H 1 0.814 0.002 . 1 . . . . A 6 ILE HG21 . 31116 1 52 . 1 . 1 6 6 ILE HG22 H 1 0.814 0.002 . 1 . . . . A 6 ILE HG22 . 31116 1 53 . 1 . 1 6 6 ILE HG23 H 1 0.814 0.002 . 1 . . . . A 6 ILE HG23 . 31116 1 54 . 1 . 1 6 6 ILE HD11 H 1 0.781 0.000 . 1 . . . . A 6 ILE HD11 . 31116 1 55 . 1 . 1 6 6 ILE HD12 H 1 0.781 0.000 . 1 . . . . A 6 ILE HD12 . 31116 1 56 . 1 . 1 6 6 ILE HD13 H 1 0.781 0.000 . 1 . . . . A 6 ILE HD13 . 31116 1 57 . 1 . 1 7 7 LEU H H 1 8.702 0.001 . 1 . . . . A 7 LEU H . 31116 1 58 . 1 . 1 7 7 LEU HA H 1 4.484 0.001 . 1 . . . . A 7 LEU HA . 31116 1 59 . 1 . 1 7 7 LEU HB2 H 1 1.473 0.002 . 2 . . . . A 7 LEU HB2 . 31116 1 60 . 1 . 1 7 7 LEU HB3 H 1 1.330 0.003 . 2 . . . . A 7 LEU HB3 . 31116 1 61 . 1 . 1 7 7 LEU HG H 1 1.337 0.000 . 1 . . . . A 7 LEU HG . 31116 1 62 . 1 . 1 7 7 LEU HD11 H 1 0.726 0.001 . 1 . . . . A 7 LEU HD11 . 31116 1 63 . 1 . 1 7 7 LEU HD12 H 1 0.726 0.001 . 1 . . . . A 7 LEU HD12 . 31116 1 64 . 1 . 1 7 7 LEU HD13 H 1 0.726 0.001 . 1 . . . . A 7 LEU HD13 . 31116 1 65 . 1 . 1 7 7 LEU HD21 H 1 0.726 0.001 . 1 . . . . A 7 LEU HD21 . 31116 1 66 . 1 . 1 7 7 LEU HD22 H 1 0.726 0.001 . 1 . . . . A 7 LEU HD22 . 31116 1 67 . 1 . 1 7 7 LEU HD23 H 1 0.726 0.001 . 1 . . . . A 7 LEU HD23 . 31116 1 68 . 1 . 1 8 8 ASN H H 1 9.017 0.000 . 1 . . . . A 8 ASN H . 31116 1 69 . 1 . 1 8 8 ASN HA H 1 5.276 0.000 . 1 . . . . A 8 ASN HA . 31116 1 70 . 1 . 1 8 8 ASN HB2 H 1 2.971 0.002 . 2 . . . . A 8 ASN HB2 . 31116 1 71 . 1 . 1 8 8 ASN HB3 H 1 2.559 0.001 . 2 . . . . A 8 ASN HB3 . 31116 1 72 . 1 . 1 8 8 ASN HD21 H 1 6.782 0.000 . 2 . . . . A 8 ASN HD21 . 31116 1 73 . 1 . 1 8 8 ASN HD22 H 1 7.177 0.000 . 2 . . . . A 8 ASN HD22 . 31116 1 74 . 1 . 1 9 9 GLY H H 1 8.020 0.000 . 1 . . . . A 9 GLY H . 31116 1 75 . 1 . 1 9 9 GLY HA2 H 1 4.419 0.002 . 2 . . . . A 9 GLY HA2 . 31116 1 76 . 1 . 1 9 9 GLY HA3 H 1 3.994 0.000 . 2 . . . . A 9 GLY HA3 . 31116 1 77 . 1 . 1 10 10 LYS H H 1 9.435 0.000 . 1 . . . . A 10 LYS H . 31116 1 78 . 1 . 1 10 10 LYS HA H 1 4.050 0.001 . 1 . . . . A 10 LYS HA . 31116 1 79 . 1 . 1 10 10 LYS HB2 H 1 1.820 0.000 . 1 . . . . A 10 LYS HB2 . 31116 1 80 . 1 . 1 10 10 LYS HB3 H 1 1.820 0.000 . 1 . . . . A 10 LYS HB3 . 31116 1 81 . 1 . 1 10 10 LYS HG2 H 1 1.454 0.002 . 1 . . . . A 10 LYS HG2 . 31116 1 82 . 1 . 1 10 10 LYS HG3 H 1 1.454 0.002 . 1 . . . . A 10 LYS HG3 . 31116 1 83 . 1 . 1 10 10 LYS HD2 H 1 1.672 0.001 . 1 . . . . A 10 LYS HD2 . 31116 1 84 . 1 . 1 10 10 LYS HD3 H 1 1.672 0.001 . 1 . . . . A 10 LYS HD3 . 31116 1 85 . 1 . 1 10 10 LYS HE2 H 1 2.979 0.001 . 1 . . . . A 10 LYS HE2 . 31116 1 86 . 1 . 1 10 10 LYS HE3 H 1 2.979 0.001 . 1 . . . . A 10 LYS HE3 . 31116 1 87 . 1 . 1 11 11 THR H H 1 8.858 0.001 . 1 . . . . A 11 THR H . 31116 1 88 . 1 . 1 11 11 THR HA H 1 4.373 0.000 . 1 . . . . A 11 THR HA . 31116 1 89 . 1 . 1 11 11 THR HB H 1 4.226 0.000 . 1 . . . . A 11 THR HB . 31116 1 90 . 1 . 1 11 11 THR HG21 H 1 1.141 0.002 . 1 . . . . A 11 THR HG21 . 31116 1 91 . 1 . 1 11 11 THR HG22 H 1 1.141 0.002 . 1 . . . . A 11 THR HG22 . 31116 1 92 . 1 . 1 11 11 THR HG23 H 1 1.141 0.002 . 1 . . . . A 11 THR HG23 . 31116 1 93 . 1 . 1 12 12 LEU H H 1 7.462 0.001 . 1 . . . . A 12 LEU H . 31116 1 94 . 1 . 1 12 12 LEU HA H 1 4.469 0.002 . 1 . . . . A 12 LEU HA . 31116 1 95 . 1 . 1 12 12 LEU HB2 H 1 1.629 0.002 . 2 . . . . A 12 LEU HB2 . 31116 1 96 . 1 . 1 12 12 LEU HB3 H 1 1.420 0.001 . 2 . . . . A 12 LEU HB3 . 31116 1 97 . 1 . 1 12 12 LEU HG H 1 1.402 0.002 . 1 . . . . A 12 LEU HG . 31116 1 98 . 1 . 1 12 12 LEU HD11 H 1 0.796 0.000 . 2 . . . . A 12 LEU HD11 . 31116 1 99 . 1 . 1 12 12 LEU HD12 H 1 0.796 0.000 . 2 . . . . A 12 LEU HD12 . 31116 1 100 . 1 . 1 12 12 LEU HD13 H 1 0.796 0.000 . 2 . . . . A 12 LEU HD13 . 31116 1 101 . 1 . 1 12 12 LEU HD21 H 1 0.889 0.000 . 2 . . . . A 12 LEU HD21 . 31116 1 102 . 1 . 1 12 12 LEU HD22 H 1 0.889 0.000 . 2 . . . . A 12 LEU HD22 . 31116 1 103 . 1 . 1 12 12 LEU HD23 H 1 0.889 0.000 . 2 . . . . A 12 LEU HD23 . 31116 1 104 . 1 . 1 13 13 LYS H H 1 8.116 0.001 . 1 . . . . A 13 LYS H . 31116 1 105 . 1 . 1 13 13 LYS HA H 1 5.157 0.000 . 1 . . . . A 13 LYS HA . 31116 1 106 . 1 . 1 13 13 LYS HB2 H 1 1.893 0.000 . 2 . . . . A 13 LYS HB2 . 31116 1 107 . 1 . 1 13 13 LYS HB3 H 1 1.743 0.001 . 2 . . . . A 13 LYS HB3 . 31116 1 108 . 1 . 1 13 13 LYS HG2 H 1 1.449 0.000 . 2 . . . . A 13 LYS HG2 . 31116 1 109 . 1 . 1 13 13 LYS HG3 H 1 1.409 0.001 . 2 . . . . A 13 LYS HG3 . 31116 1 110 . 1 . 1 13 13 LYS HD2 H 1 1.681 0.000 . 1 . . . . A 13 LYS HD2 . 31116 1 111 . 1 . 1 13 13 LYS HD3 H 1 1.681 0.000 . 1 . . . . A 13 LYS HD3 . 31116 1 112 . 1 . 1 13 13 LYS HE2 H 1 3.008 0.002 . 2 . . . . A 13 LYS HE2 . 31116 1 113 . 1 . 1 13 13 LYS HE3 H 1 2.926 0.000 . 2 . . . . A 13 LYS HE3 . 31116 1 114 . 1 . 1 14 14 GLY H H 1 8.498 0.000 . 1 . . . . A 14 GLY H . 31116 1 115 . 1 . 1 14 14 GLY HA2 H 1 4.233 0.000 . 1 . . . . A 14 GLY HA2 . 31116 1 116 . 1 . 1 14 14 GLY HA3 H 1 4.233 0.000 . 1 . . . . A 14 GLY HA3 . 31116 1 117 . 1 . 1 15 15 GLU H H 1 8.384 0.002 . 1 . . . . A 15 GLU H . 31116 1 118 . 1 . 1 15 15 GLU HA H 1 5.556 0.001 . 1 . . . . A 15 GLU HA . 31116 1 119 . 1 . 1 15 15 GLU HB2 H 1 2.020 0.000 . 2 . . . . A 15 GLU HB2 . 31116 1 120 . 1 . 1 15 15 GLU HB3 H 1 1.940 0.000 . 2 . . . . A 15 GLU HB3 . 31116 1 121 . 1 . 1 15 15 GLU HG2 H 1 2.152 0.001 . 1 . . . . A 15 GLU HG2 . 31116 1 122 . 1 . 1 15 15 GLU HG3 H 1 2.152 0.001 . 1 . . . . A 15 GLU HG3 . 31116 1 123 . 1 . 1 16 16 THR H H 1 8.732 0.001 . 1 . . . . A 16 THR H . 31116 1 124 . 1 . 1 16 16 THR HA H 1 4.749 0.001 . 1 . . . . A 16 THR HA . 31116 1 125 . 1 . 1 16 16 THR HB H 1 3.922 0.000 . 1 . . . . A 16 THR HB . 31116 1 126 . 1 . 1 16 16 THR HG21 H 1 0.487 0.000 . 1 . . . . A 16 THR HG21 . 31116 1 127 . 1 . 1 16 16 THR HG22 H 1 0.487 0.000 . 1 . . . . A 16 THR HG22 . 31116 1 128 . 1 . 1 16 16 THR HG23 H 1 0.487 0.000 . 1 . . . . A 16 THR HG23 . 31116 1 129 . 1 . 1 17 17 THR H H 1 8.111 0.000 . 1 . . . . A 17 THR H . 31116 1 130 . 1 . 1 17 17 THR HA H 1 5.819 0.000 . 1 . . . . A 17 THR HA . 31116 1 131 . 1 . 1 17 17 THR HB H 1 4.310 0.000 . 1 . . . . A 17 THR HB . 31116 1 132 . 1 . 1 17 17 THR HG21 H 1 1.199 0.000 . 1 . . . . A 17 THR HG21 . 31116 1 133 . 1 . 1 17 17 THR HG22 H 1 1.199 0.000 . 1 . . . . A 17 THR HG22 . 31116 1 134 . 1 . 1 17 17 THR HG23 H 1 1.199 0.000 . 1 . . . . A 17 THR HG23 . 31116 1 135 . 1 . 1 18 18 THR H H 1 8.991 0.000 . 1 . . . . A 18 THR H . 31116 1 136 . 1 . 1 18 18 THR HA H 1 4.674 0.001 . 1 . . . . A 18 THR HA . 31116 1 137 . 1 . 1 18 18 THR HB H 1 3.849 0.000 . 1 . . . . A 18 THR HB . 31116 1 138 . 1 . 1 18 18 THR HG21 H 1 0.485 0.002 . 1 . . . . A 18 THR HG21 . 31116 1 139 . 1 . 1 18 18 THR HG22 H 1 0.485 0.002 . 1 . . . . A 18 THR HG22 . 31116 1 140 . 1 . 1 18 18 THR HG23 H 1 0.485 0.002 . 1 . . . . A 18 THR HG23 . 31116 1 141 . 1 . 1 19 19 GLU H H 1 7.959 0.001 . 1 . . . . A 19 GLU H . 31116 1 142 . 1 . 1 19 19 GLU HA H 1 5.185 0.001 . 1 . . . . A 19 GLU HA . 31116 1 143 . 1 . 1 19 19 GLU HB2 H 1 1.946 0.000 . 1 . . . . A 19 GLU HB2 . 31116 1 144 . 1 . 1 19 19 GLU HB3 H 1 1.946 0.000 . 1 . . . . A 19 GLU HB3 . 31116 1 145 . 1 . 1 19 19 GLU HG2 H 1 2.293 0.002 . 2 . . . . A 19 GLU HG2 . 31116 1 146 . 1 . 1 19 19 GLU HG3 H 1 2.058 0.001 . 2 . . . . A 19 GLU HG3 . 31116 1 147 . 1 . 1 20 20 ALA H H 1 9.348 0.000 . 1 . . . . A 20 ALA H . 31116 1 148 . 1 . 1 20 20 ALA HA H 1 4.945 0.001 . 1 . . . . A 20 ALA HA . 31116 1 149 . 1 . 1 20 20 ALA HB1 H 1 1.344 0.000 . 1 . . . . A 20 ALA HB1 . 31116 1 150 . 1 . 1 20 20 ALA HB2 H 1 1.344 0.000 . 1 . . . . A 20 ALA HB2 . 31116 1 151 . 1 . 1 20 20 ALA HB3 H 1 1.344 0.000 . 1 . . . . A 20 ALA HB3 . 31116 1 152 . 1 . 1 21 21 VAL H H 1 8.494 0.000 . 1 . . . . A 21 VAL H . 31116 1 153 . 1 . 1 21 21 VAL HA H 1 4.122 0.001 . 1 . . . . A 21 VAL HA . 31116 1 154 . 1 . 1 21 21 VAL HB H 1 2.201 0.001 . 1 . . . . A 21 VAL HB . 31116 1 155 . 1 . 1 21 21 VAL HG11 H 1 1.009 0.000 . 1 . . . . A 21 VAL HG11 . 31116 1 156 . 1 . 1 21 21 VAL HG12 H 1 1.009 0.000 . 1 . . . . A 21 VAL HG12 . 31116 1 157 . 1 . 1 21 21 VAL HG13 H 1 1.009 0.000 . 1 . . . . A 21 VAL HG13 . 31116 1 158 . 1 . 1 21 21 VAL HG21 H 1 1.009 0.000 . 1 . . . . A 21 VAL HG21 . 31116 1 159 . 1 . 1 21 21 VAL HG22 H 1 1.009 0.000 . 1 . . . . A 21 VAL HG22 . 31116 1 160 . 1 . 1 21 21 VAL HG23 H 1 1.009 0.000 . 1 . . . . A 21 VAL HG23 . 31116 1 161 . 1 . 1 22 22 ASP H H 1 7.342 0.000 . 1 . . . . A 22 ASP H . 31116 1 162 . 1 . 1 22 22 ASP HA H 1 4.762 0.002 . 1 . . . . A 22 ASP HA . 31116 1 163 . 1 . 1 22 22 ASP HB2 H 1 3.045 0.000 . 2 . . . . A 22 ASP HB2 . 31116 1 164 . 1 . 1 22 22 ASP HB3 H 1 2.989 0.000 . 2 . . . . A 22 ASP HB3 . 31116 1 165 . 1 . 1 23 23 ALA H H 1 8.291 0.001 . 1 . . . . A 23 ALA H . 31116 1 166 . 1 . 1 23 23 ALA HA H 1 3.318 0.001 . 1 . . . . A 23 ALA HA . 31116 1 167 . 1 . 1 23 23 ALA HB1 H 1 1.163 0.000 . 1 . . . . A 23 ALA HB1 . 31116 1 168 . 1 . 1 23 23 ALA HB2 H 1 1.163 0.000 . 1 . . . . A 23 ALA HB2 . 31116 1 169 . 1 . 1 23 23 ALA HB3 H 1 1.163 0.000 . 1 . . . . A 23 ALA HB3 . 31116 1 170 . 1 . 1 24 24 ALA H H 1 8.060 0.001 . 1 . . . . A 24 ALA H . 31116 1 171 . 1 . 1 24 24 ALA HA H 1 3.978 0.001 . 1 . . . . A 24 ALA HA . 31116 1 172 . 1 . 1 24 24 ALA HB1 H 1 1.297 0.002 . 1 . . . . A 24 ALA HB1 . 31116 1 173 . 1 . 1 24 24 ALA HB2 H 1 1.297 0.002 . 1 . . . . A 24 ALA HB2 . 31116 1 174 . 1 . 1 24 24 ALA HB3 H 1 1.297 0.002 . 1 . . . . A 24 ALA HB3 . 31116 1 175 . 1 . 1 25 25 THR H H 1 8.296 0.000 . 1 . . . . A 25 THR H . 31116 1 176 . 1 . 1 25 25 THR HA H 1 3.709 0.000 . 1 . . . . A 25 THR HA . 31116 1 177 . 1 . 1 25 25 THR HB H 1 4.028 0.000 . 1 . . . . A 25 THR HB . 31116 1 178 . 1 . 1 25 25 THR HG21 H 1 1.231 0.001 . 1 . . . . A 25 THR HG21 . 31116 1 179 . 1 . 1 25 25 THR HG22 H 1 1.231 0.001 . 1 . . . . A 25 THR HG22 . 31116 1 180 . 1 . 1 25 25 THR HG23 H 1 1.231 0.001 . 1 . . . . A 25 THR HG23 . 31116 1 181 . 1 . 1 26 26 ALA H H 1 7.190 0.000 . 1 . . . . A 26 ALA H . 31116 1 182 . 1 . 1 26 26 ALA HA H 1 3.097 0.001 . 1 . . . . A 26 ALA HA . 31116 1 183 . 1 . 1 26 26 ALA HB1 H 1 0.537 0.001 . 1 . . . . A 26 ALA HB1 . 31116 1 184 . 1 . 1 26 26 ALA HB2 H 1 0.537 0.001 . 1 . . . . A 26 ALA HB2 . 31116 1 185 . 1 . 1 26 26 ALA HB3 H 1 0.537 0.001 . 1 . . . . A 26 ALA HB3 . 31116 1 186 . 1 . 1 27 27 GLU H H 1 8.341 0.000 . 1 . . . . A 27 GLU H . 31116 1 187 . 1 . 1 27 27 GLU HA H 1 2.685 0.000 . 1 . . . . A 27 GLU HA . 31116 1 188 . 1 . 1 27 27 GLU HB2 H 1 1.971 0.000 . 2 . . . . A 27 GLU HB2 . 31116 1 189 . 1 . 1 27 27 GLU HB3 H 1 1.847 0.000 . 2 . . . . A 27 GLU HB3 . 31116 1 190 . 1 . 1 27 27 GLU HG2 H 1 1.632 0.000 . 1 . . . . A 27 GLU HG2 . 31116 1 191 . 1 . 1 27 27 GLU HG3 H 1 1.632 0.000 . 1 . . . . A 27 GLU HG3 . 31116 1 192 . 1 . 1 28 28 LYS H H 1 6.954 0.000 . 1 . . . . A 28 LYS H . 31116 1 193 . 1 . 1 28 28 LYS HA H 1 3.738 0.001 . 1 . . . . A 28 LYS HA . 31116 1 194 . 1 . 1 28 28 LYS HB2 H 1 1.839 0.001 . 1 . . . . A 28 LYS HB2 . 31116 1 195 . 1 . 1 28 28 LYS HB3 H 1 1.839 0.001 . 1 . . . . A 28 LYS HB3 . 31116 1 196 . 1 . 1 28 28 LYS HG2 H 1 1.528 0.001 . 2 . . . . A 28 LYS HG2 . 31116 1 197 . 1 . 1 28 28 LYS HG3 H 1 1.334 0.001 . 2 . . . . A 28 LYS HG3 . 31116 1 198 . 1 . 1 28 28 LYS HD2 H 1 1.611 0.003 . 1 . . . . A 28 LYS HD2 . 31116 1 199 . 1 . 1 28 28 LYS HD3 H 1 1.611 0.003 . 1 . . . . A 28 LYS HD3 . 31116 1 200 . 1 . 1 28 28 LYS HE2 H 1 2.896 0.002 . 1 . . . . A 28 LYS HE2 . 31116 1 201 . 1 . 1 28 28 LYS HE3 H 1 2.896 0.002 . 1 . . . . A 28 LYS HE3 . 31116 1 202 . 1 . 1 29 29 VAL H H 1 7.353 0.000 . 1 . . . . A 29 VAL H . 31116 1 203 . 1 . 1 29 29 VAL HA H 1 3.617 0.000 . 1 . . . . A 29 VAL HA . 31116 1 204 . 1 . 1 29 29 VAL HB H 1 1.759 0.001 . 1 . . . . A 29 VAL HB . 31116 1 205 . 1 . 1 29 29 VAL HG11 H 1 0.801 0.001 . 2 . . . . A 29 VAL HG11 . 31116 1 206 . 1 . 1 29 29 VAL HG12 H 1 0.801 0.001 . 2 . . . . A 29 VAL HG12 . 31116 1 207 . 1 . 1 29 29 VAL HG13 H 1 0.801 0.001 . 2 . . . . A 29 VAL HG13 . 31116 1 208 . 1 . 1 29 29 VAL HG21 H 1 0.909 0.002 . 2 . . . . A 29 VAL HG21 . 31116 1 209 . 1 . 1 29 29 VAL HG22 H 1 0.909 0.002 . 2 . . . . A 29 VAL HG22 . 31116 1 210 . 1 . 1 29 29 VAL HG23 H 1 0.909 0.002 . 2 . . . . A 29 VAL HG23 . 31116 1 211 . 1 . 1 30 30 PHE H H 1 8.533 0.000 . 1 . . . . A 30 PHE H . 31116 1 212 . 1 . 1 30 30 PHE HA H 1 4.790 0.000 . 1 . . . . A 30 PHE HA . 31116 1 213 . 1 . 1 30 30 PHE HB2 H 1 3.337 0.000 . 2 . . . . A 30 PHE HB2 . 31116 1 214 . 1 . 1 30 30 PHE HB3 H 1 2.885 0.000 . 2 . . . . A 30 PHE HB3 . 31116 1 215 . 1 . 1 30 30 PHE HD1 H 1 6.519 0.000 . 3 . . . . A 30 PHE HD1 . 31116 1 216 . 1 . 1 30 30 PHE HD2 H 1 6.564 0.000 . 3 . . . . A 30 PHE HD2 . 31116 1 217 . 1 . 1 30 30 PHE HE1 H 1 7.084 0.001 . 1 . . . . A 30 PHE HE1 . 31116 1 218 . 1 . 1 30 30 PHE HE2 H 1 7.084 0.001 . 1 . . . . A 30 PHE HE2 . 31116 1 219 . 1 . 1 30 30 PHE HZ H 1 7.190 0.001 . 1 . . . . A 30 PHE HZ . 31116 1 220 . 1 . 1 31 31 LYS H H 1 9.128 0.000 . 1 . . . . A 31 LYS H . 31116 1 221 . 1 . 1 31 31 LYS HA H 1 4.139 0.000 . 1 . . . . A 31 LYS HA . 31116 1 222 . 1 . 1 31 31 LYS HB2 H 1 1.656 0.004 . 2 . . . . A 31 LYS HB2 . 31116 1 223 . 1 . 1 31 31 LYS HB3 H 1 1.630 0.000 . 2 . . . . A 31 LYS HB3 . 31116 1 224 . 1 . 1 31 31 LYS HG2 H 1 1.084 0.009 . 2 . . . . A 31 LYS HG2 . 31116 1 225 . 1 . 1 31 31 LYS HG3 H 1 0.491 0.001 . 2 . . . . A 31 LYS HG3 . 31116 1 226 . 1 . 1 31 31 LYS HD2 H 1 1.651 0.000 . 2 . . . . A 31 LYS HD2 . 31116 1 227 . 1 . 1 31 31 LYS HD3 H 1 1.546 0.004 . 2 . . . . A 31 LYS HD3 . 31116 1 228 . 1 . 1 31 31 LYS HE2 H 1 1.946 0.001 . 1 . . . . A 31 LYS HE2 . 31116 1 229 . 1 . 1 31 31 LYS HE3 H 1 1.946 0.001 . 1 . . . . A 31 LYS HE3 . 31116 1 230 . 1 . 1 32 32 GLN H H 1 7.453 0.000 . 1 . . . . A 32 GLN H . 31116 1 231 . 1 . 1 32 32 GLN HA H 1 4.015 0.001 . 1 . . . . A 32 GLN HA . 31116 1 232 . 1 . 1 32 32 GLN HB2 H 1 2.234 0.000 . 2 . . . . A 32 GLN HB2 . 31116 1 233 . 1 . 1 32 32 GLN HB3 H 1 2.192 0.001 . 2 . . . . A 32 GLN HB3 . 31116 1 234 . 1 . 1 32 32 GLN HG2 H 1 2.431 0.000 . 2 . . . . A 32 GLN HG2 . 31116 1 235 . 1 . 1 32 32 GLN HG3 H 1 2.405 0.000 . 2 . . . . A 32 GLN HG3 . 31116 1 236 . 1 . 1 32 32 GLN HE21 H 1 6.871 0.000 . 2 . . . . A 32 GLN HE21 . 31116 1 237 . 1 . 1 32 32 GLN HE22 H 1 7.892 0.000 . 2 . . . . A 32 GLN HE22 . 31116 1 238 . 1 . 1 33 33 TYR H H 1 8.154 0.000 . 1 . . . . A 33 TYR H . 31116 1 239 . 1 . 1 33 33 TYR HA H 1 4.266 0.001 . 1 . . . . A 33 TYR HA . 31116 1 240 . 1 . 1 33 33 TYR HB2 H 1 3.309 0.001 . 2 . . . . A 33 TYR HB2 . 31116 1 241 . 1 . 1 33 33 TYR HB3 H 1 3.287 0.000 . 2 . . . . A 33 TYR HB3 . 31116 1 242 . 1 . 1 33 33 TYR HD1 H 1 6.992 0.000 . 1 . . . . A 33 TYR HD1 . 31116 1 243 . 1 . 1 33 33 TYR HD2 H 1 6.992 0.000 . 1 . . . . A 33 TYR HD2 . 31116 1 244 . 1 . 1 33 33 TYR HE1 H 1 6.712 0.000 . 1 . . . . A 33 TYR HE1 . 31116 1 245 . 1 . 1 33 33 TYR HE2 H 1 6.712 0.000 . 1 . . . . A 33 TYR HE2 . 31116 1 246 . 1 . 1 34 34 ALA H H 1 9.184 0.000 . 1 . . . . A 34 ALA H . 31116 1 247 . 1 . 1 34 34 ALA HA H 1 3.742 0.002 . 1 . . . . A 34 ALA HA . 31116 1 248 . 1 . 1 34 34 ALA HB1 H 1 1.741 0.000 . 1 . . . . A 34 ALA HB1 . 31116 1 249 . 1 . 1 34 34 ALA HB2 H 1 1.741 0.000 . 1 . . . . A 34 ALA HB2 . 31116 1 250 . 1 . 1 34 34 ALA HB3 H 1 1.741 0.000 . 1 . . . . A 34 ALA HB3 . 31116 1 251 . 1 . 1 35 35 ASN H H 1 8.621 0.000 . 1 . . . . A 35 ASN H . 31116 1 252 . 1 . 1 35 35 ASN HA H 1 4.409 0.001 . 1 . . . . A 35 ASN HA . 31116 1 253 . 1 . 1 35 35 ASN HB2 H 1 2.929 0.001 . 2 . . . . A 35 ASN HB2 . 31116 1 254 . 1 . 1 35 35 ASN HB3 H 1 2.861 0.002 . 2 . . . . A 35 ASN HB3 . 31116 1 255 . 1 . 1 35 35 ASN HD21 H 1 6.988 0.000 . 2 . . . . A 35 ASN HD21 . 31116 1 256 . 1 . 1 35 35 ASN HD22 H 1 7.919 0.000 . 2 . . . . A 35 ASN HD22 . 31116 1 257 . 1 . 1 36 36 ASP H H 1 8.881 0.000 . 1 . . . . A 36 ASP H . 31116 1 258 . 1 . 1 36 36 ASP HA H 1 4.385 0.001 . 1 . . . . A 36 ASP HA . 31116 1 259 . 1 . 1 36 36 ASP HB2 H 1 2.791 0.001 . 2 . . . . A 36 ASP HB2 . 31116 1 260 . 1 . 1 36 36 ASP HB3 H 1 2.573 0.001 . 2 . . . . A 36 ASP HB3 . 31116 1 261 . 1 . 1 37 37 ASN H H 1 7.412 0.001 . 1 . . . . A 37 ASN H . 31116 1 262 . 1 . 1 37 37 ASN HA H 1 4.643 0.002 . 1 . . . . A 37 ASN HA . 31116 1 263 . 1 . 1 37 37 ASN HB2 H 1 2.816 0.003 . 2 . . . . A 37 ASN HB2 . 31116 1 264 . 1 . 1 37 37 ASN HB3 H 1 2.160 0.000 . 2 . . . . A 37 ASN HB3 . 31116 1 265 . 1 . 1 37 37 ASN HD21 H 1 6.359 0.000 . 2 . . . . A 37 ASN HD21 . 31116 1 266 . 1 . 1 37 37 ASN HD22 H 1 6.741 0.000 . 2 . . . . A 37 ASN HD22 . 31116 1 267 . 1 . 1 38 38 GLY H H 1 7.753 0.000 . 1 . . . . A 38 GLY H . 31116 1 268 . 1 . 1 38 38 GLY HA2 H 1 4.090 0.000 . 2 . . . . A 38 GLY HA2 . 31116 1 269 . 1 . 1 38 38 GLY HA3 H 1 3.844 0.000 . 2 . . . . A 38 GLY HA3 . 31116 1 270 . 1 . 1 39 39 VAL H H 1 8.344 0.000 . 1 . . . . A 39 VAL H . 31116 1 271 . 1 . 1 39 39 VAL HA H 1 4.130 0.000 . 1 . . . . A 39 VAL HA . 31116 1 272 . 1 . 1 39 39 VAL HB H 1 1.661 0.001 . 1 . . . . A 39 VAL HB . 31116 1 273 . 1 . 1 39 39 VAL HG11 H 1 0.637 0.001 . 2 . . . . A 39 VAL HG11 . 31116 1 274 . 1 . 1 39 39 VAL HG12 H 1 0.637 0.001 . 2 . . . . A 39 VAL HG12 . 31116 1 275 . 1 . 1 39 39 VAL HG13 H 1 0.637 0.001 . 2 . . . . A 39 VAL HG13 . 31116 1 276 . 1 . 1 39 39 VAL HG21 H 1 0.774 0.002 . 2 . . . . A 39 VAL HG21 . 31116 1 277 . 1 . 1 39 39 VAL HG22 H 1 0.774 0.002 . 2 . . . . A 39 VAL HG22 . 31116 1 278 . 1 . 1 39 39 VAL HG23 H 1 0.774 0.002 . 2 . . . . A 39 VAL HG23 . 31116 1 279 . 1 . 1 40 40 DAS H H 1 8.473 0.001 . 1 . . . . A 40 DAS H . 31116 1 280 . 1 . 1 40 40 DAS HA H 1 4.748 0.002 . 1 . . . . A 40 DAS HA . 31116 1 281 . 1 . 1 40 40 DAS HB2 H 1 2.709 0.001 . 2 . . . . A 40 DAS HB2 . 31116 1 282 . 1 . 1 40 40 DAS HB3 H 1 3.086 0.000 . 2 . . . . A 40 DAS HB3 . 31116 1 283 . 1 . 1 41 41 GLY H H 1 8.192 0.000 . 1 . . . . A 41 GLY H . 31116 1 284 . 1 . 1 41 41 GLY HA2 H 1 3.870 0.000 . 2 . . . . A 41 GLY HA2 . 31116 1 285 . 1 . 1 41 41 GLY HA3 H 1 3.821 0.000 . 2 . . . . A 41 GLY HA3 . 31116 1 286 . 1 . 1 42 42 GLU H H 1 8.493 0.001 . 1 . . . . A 42 GLU H . 31116 1 287 . 1 . 1 42 42 GLU HA H 1 4.889 0.001 . 1 . . . . A 42 GLU HA . 31116 1 288 . 1 . 1 42 42 GLU HB2 H 1 2.038 0.001 . 2 . . . . A 42 GLU HB2 . 31116 1 289 . 1 . 1 42 42 GLU HB3 H 1 1.920 0.008 . 2 . . . . A 42 GLU HB3 . 31116 1 290 . 1 . 1 42 42 GLU HG2 H 1 2.287 0.003 . 2 . . . . A 42 GLU HG2 . 31116 1 291 . 1 . 1 42 42 GLU HG3 H 1 2.199 0.000 . 2 . . . . A 42 GLU HG3 . 31116 1 292 . 1 . 1 43 43 TRP H H 1 9.307 0.000 . 1 . . . . A 43 TRP H . 31116 1 293 . 1 . 1 43 43 TRP HA H 1 5.214 0.001 . 1 . . . . A 43 TRP HA . 31116 1 294 . 1 . 1 43 43 TRP HB2 H 1 3.358 0.001 . 2 . . . . A 43 TRP HB2 . 31116 1 295 . 1 . 1 43 43 TRP HB3 H 1 3.140 0.002 . 2 . . . . A 43 TRP HB3 . 31116 1 296 . 1 . 1 43 43 TRP HD1 H 1 7.253 0.000 . 1 . . . . A 43 TRP HD1 . 31116 1 297 . 1 . 1 43 43 TRP HE1 H 1 10.198 0.001 . 1 . . . . A 43 TRP HE1 . 31116 1 298 . 1 . 1 43 43 TRP HE3 H 1 7.593 0.000 . 1 . . . . A 43 TRP HE3 . 31116 1 299 . 1 . 1 43 43 TRP HZ2 H 1 7.365 0.000 . 1 . . . . A 43 TRP HZ2 . 31116 1 300 . 1 . 1 43 43 TRP HZ3 H 1 6.620 0.000 . 1 . . . . A 43 TRP HZ3 . 31116 1 301 . 1 . 1 43 43 TRP HH2 H 1 6.770 0.002 . 1 . . . . A 43 TRP HH2 . 31116 1 302 . 1 . 1 44 44 THR H H 1 9.214 0.000 . 1 . . . . A 44 THR H . 31116 1 303 . 1 . 1 44 44 THR HA H 1 4.828 0.000 . 1 . . . . A 44 THR HA . 31116 1 304 . 1 . 1 44 44 THR HB H 1 4.225 0.000 . 1 . . . . A 44 THR HB . 31116 1 305 . 1 . 1 44 44 THR HG21 H 1 1.210 0.001 . 1 . . . . A 44 THR HG21 . 31116 1 306 . 1 . 1 44 44 THR HG22 H 1 1.210 0.001 . 1 . . . . A 44 THR HG22 . 31116 1 307 . 1 . 1 44 44 THR HG23 H 1 1.210 0.001 . 1 . . . . A 44 THR HG23 . 31116 1 308 . 1 . 1 45 45 TYR H H 1 8.603 0.000 . 1 . . . . A 45 TYR H . 31116 1 309 . 1 . 1 45 45 TYR HA H 1 4.959 0.000 . 1 . . . . A 45 TYR HA . 31116 1 310 . 1 . 1 45 45 TYR HB2 H 1 2.880 0.000 . 2 . . . . A 45 TYR HB2 . 31116 1 311 . 1 . 1 45 45 TYR HB3 H 1 2.515 0.000 . 2 . . . . A 45 TYR HB3 . 31116 1 312 . 1 . 1 45 45 TYR HD1 H 1 7.155 0.000 . 1 . . . . A 45 TYR HD1 . 31116 1 313 . 1 . 1 45 45 TYR HD2 H 1 7.155 0.000 . 1 . . . . A 45 TYR HD2 . 31116 1 314 . 1 . 1 45 45 TYR HE1 H 1 6.374 0.000 . 1 . . . . A 45 TYR HE1 . 31116 1 315 . 1 . 1 45 45 TYR HE2 H 1 6.374 0.000 . 1 . . . . A 45 TYR HE2 . 31116 1 316 . 1 . 1 46 46 ASP H H 1 7.602 0.000 . 1 . . . . A 46 ASP H . 31116 1 317 . 1 . 1 46 46 ASP HA H 1 4.598 0.002 . 1 . . . . A 46 ASP HA . 31116 1 318 . 1 . 1 46 46 ASP HB2 H 1 2.623 0.002 . 2 . . . . A 46 ASP HB2 . 31116 1 319 . 1 . 1 46 46 ASP HB3 H 1 2.272 0.001 . 2 . . . . A 46 ASP HB3 . 31116 1 320 . 1 . 1 47 47 ASP H H 1 8.597 0.000 . 1 . . . . A 47 ASP H . 31116 1 321 . 1 . 1 47 47 ASP HA H 1 4.165 0.000 . 1 . . . . A 47 ASP HA . 31116 1 322 . 1 . 1 47 47 ASP HB2 H 1 2.841 0.000 . 2 . . . . A 47 ASP HB2 . 31116 1 323 . 1 . 1 47 47 ASP HB3 H 1 2.534 0.000 . 2 . . . . A 47 ASP HB3 . 31116 1 324 . 1 . 1 48 48 ALA H H 1 8.355 0.000 . 1 . . . . A 48 ALA H . 31116 1 325 . 1 . 1 48 48 ALA HA H 1 4.126 0.000 . 1 . . . . A 48 ALA HA . 31116 1 326 . 1 . 1 48 48 ALA HB1 H 1 1.515 0.000 . 1 . . . . A 48 ALA HB1 . 31116 1 327 . 1 . 1 48 48 ALA HB2 H 1 1.515 0.000 . 1 . . . . A 48 ALA HB2 . 31116 1 328 . 1 . 1 48 48 ALA HB3 H 1 1.515 0.000 . 1 . . . . A 48 ALA HB3 . 31116 1 329 . 1 . 1 49 49 THR H H 1 7.021 0.001 . 1 . . . . A 49 THR H . 31116 1 330 . 1 . 1 49 49 THR HA H 1 4.408 0.000 . 1 . . . . A 49 THR HA . 31116 1 331 . 1 . 1 49 49 THR HB H 1 4.418 0.000 . 1 . . . . A 49 THR HB . 31116 1 332 . 1 . 1 49 49 THR HG21 H 1 1.087 0.001 . 1 . . . . A 49 THR HG21 . 31116 1 333 . 1 . 1 49 49 THR HG22 H 1 1.087 0.001 . 1 . . . . A 49 THR HG22 . 31116 1 334 . 1 . 1 49 49 THR HG23 H 1 1.087 0.001 . 1 . . . . A 49 THR HG23 . 31116 1 335 . 1 . 1 50 50 LYS H H 1 7.878 0.001 . 1 . . . . A 50 LYS H . 31116 1 336 . 1 . 1 50 50 LYS HA H 1 4.214 0.003 . 1 . . . . A 50 LYS HA . 31116 1 337 . 1 . 1 50 50 LYS HB2 H 1 2.088 0.001 . 2 . . . . A 50 LYS HB2 . 31116 1 338 . 1 . 1 50 50 LYS HB3 H 1 2.021 0.004 . 2 . . . . A 50 LYS HB3 . 31116 1 339 . 1 . 1 50 50 LYS HG2 H 1 1.405 0.002 . 2 . . . . A 50 LYS HG2 . 31116 1 340 . 1 . 1 50 50 LYS HG3 H 1 1.238 0.001 . 2 . . . . A 50 LYS HG3 . 31116 1 341 . 1 . 1 50 50 LYS HD2 H 1 1.720 0.002 . 2 . . . . A 50 LYS HD2 . 31116 1 342 . 1 . 1 50 50 LYS HD3 H 1 1.420 0.002 . 2 . . . . A 50 LYS HD3 . 31116 1 343 . 1 . 1 50 50 LYS HE2 H 1 3.104 0.004 . 2 . . . . A 50 LYS HE2 . 31116 1 344 . 1 . 1 50 50 LYS HE3 H 1 2.973 0.002 . 2 . . . . A 50 LYS HE3 . 31116 1 345 . 1 . 1 51 51 THR H H 1 7.394 0.000 . 1 . . . . A 51 THR H . 31116 1 346 . 1 . 1 51 51 THR HA H 1 5.517 0.000 . 1 . . . . A 51 THR HA . 31116 1 347 . 1 . 1 51 51 THR HB H 1 3.780 0.001 . 1 . . . . A 51 THR HB . 31116 1 348 . 1 . 1 51 51 THR HG21 H 1 1.001 0.001 . 1 . . . . A 51 THR HG21 . 31116 1 349 . 1 . 1 51 51 THR HG22 H 1 1.001 0.001 . 1 . . . . A 51 THR HG22 . 31116 1 350 . 1 . 1 51 51 THR HG23 H 1 1.001 0.001 . 1 . . . . A 51 THR HG23 . 31116 1 351 . 1 . 1 52 52 PHE H H 1 10.358 0.000 . 1 . . . . A 52 PHE H . 31116 1 352 . 1 . 1 52 52 PHE HA H 1 5.659 0.002 . 1 . . . . A 52 PHE HA . 31116 1 353 . 1 . 1 52 52 PHE HB2 H 1 3.276 0.003 . 2 . . . . A 52 PHE HB2 . 31116 1 354 . 1 . 1 52 52 PHE HB3 H 1 3.151 0.001 . 2 . . . . A 52 PHE HB3 . 31116 1 355 . 1 . 1 52 52 PHE HD1 H 1 7.806 0.000 . 1 . . . . A 52 PHE HD1 . 31116 1 356 . 1 . 1 52 52 PHE HD2 H 1 7.806 0.000 . 1 . . . . A 52 PHE HD2 . 31116 1 357 . 1 . 1 52 52 PHE HE1 H 1 7.169 0.001 . 1 . . . . A 52 PHE HE1 . 31116 1 358 . 1 . 1 52 52 PHE HE2 H 1 7.169 0.001 . 1 . . . . A 52 PHE HE2 . 31116 1 359 . 1 . 1 52 52 PHE HZ H 1 7.018 0.001 . 1 . . . . A 52 PHE HZ . 31116 1 360 . 1 . 1 53 53 THR H H 1 9.111 0.002 . 1 . . . . A 53 THR H . 31116 1 361 . 1 . 1 53 53 THR HA H 1 5.170 0.001 . 1 . . . . A 53 THR HA . 31116 1 362 . 1 . 1 53 53 THR HB H 1 3.849 0.002 . 1 . . . . A 53 THR HB . 31116 1 363 . 1 . 1 53 53 THR HG21 H 1 0.992 0.000 . 1 . . . . A 53 THR HG21 . 31116 1 364 . 1 . 1 53 53 THR HG22 H 1 0.992 0.000 . 1 . . . . A 53 THR HG22 . 31116 1 365 . 1 . 1 53 53 THR HG23 H 1 0.992 0.000 . 1 . . . . A 53 THR HG23 . 31116 1 366 . 1 . 1 54 54 VAL H H 1 8.395 0.000 . 1 . . . . A 54 VAL H . 31116 1 367 . 1 . 1 54 54 VAL HA H 1 4.573 0.003 . 1 . . . . A 54 VAL HA . 31116 1 368 . 1 . 1 54 54 VAL HB H 1 -0.051 0.000 . 1 . . . . A 54 VAL HB . 31116 1 369 . 1 . 1 54 54 VAL HG11 H 1 -0.312 0.001 . 2 . . . . A 54 VAL HG11 . 31116 1 370 . 1 . 1 54 54 VAL HG12 H 1 -0.312 0.001 . 2 . . . . A 54 VAL HG12 . 31116 1 371 . 1 . 1 54 54 VAL HG13 H 1 -0.312 0.001 . 2 . . . . A 54 VAL HG13 . 31116 1 372 . 1 . 1 54 54 VAL HG21 H 1 0.369 0.001 . 2 . . . . A 54 VAL HG21 . 31116 1 373 . 1 . 1 54 54 VAL HG22 H 1 0.369 0.001 . 2 . . . . A 54 VAL HG22 . 31116 1 374 . 1 . 1 54 54 VAL HG23 H 1 0.369 0.001 . 2 . . . . A 54 VAL HG23 . 31116 1 375 . 1 . 1 55 55 THR H H 1 8.404 0.001 . 1 . . . . A 55 THR H . 31116 1 376 . 1 . 1 55 55 THR HA H 1 4.737 0.002 . 1 . . . . A 55 THR HA . 31116 1 377 . 1 . 1 55 55 THR HB H 1 3.945 0.000 . 1 . . . . A 55 THR HB . 31116 1 378 . 1 . 1 55 55 THR HG21 H 1 1.240 0.002 . 1 . . . . A 55 THR HG21 . 31116 1 379 . 1 . 1 55 55 THR HG22 H 1 1.240 0.002 . 1 . . . . A 55 THR HG22 . 31116 1 380 . 1 . 1 55 55 THR HG23 H 1 1.240 0.002 . 1 . . . . A 55 THR HG23 . 31116 1 381 . 1 . 1 56 56 GLU H H 1 7.722 0.001 . 1 . . . . A 56 GLU H . 31116 1 382 . 1 . 1 56 56 GLU HA H 1 4.229 0.002 . 1 . . . . A 56 GLU HA . 31116 1 383 . 1 . 1 56 56 GLU HB2 H 1 2.179 0.001 . 2 . . . . A 56 GLU HB2 . 31116 1 384 . 1 . 1 56 56 GLU HB3 H 1 1.883 0.004 . 2 . . . . A 56 GLU HB3 . 31116 1 385 . 1 . 1 56 56 GLU HG2 H 1 2.248 0.001 . 1 . . . . A 56 GLU HG2 . 31116 1 386 . 1 . 1 56 56 GLU HG3 H 1 2.248 0.001 . 1 . . . . A 56 GLU HG3 . 31116 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 31116 _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 ?-? 1.922 2.037 4.04e+08 ga 7824519 ?-? 1.333 1.468 3.63e+08 ga 5952669 ?-? 2.861 2.927 3.41e+08 ga 8047282 ?-? 2.206 2.284 3.41e+08 ga 7321309 ?-? 2.529 2.852 2.49e+08 ga 1 ?-? 2.918 3.008 2.40e+08 ga 10218259 ?-? 2.098 2.207 2.29e+08 ga 4537688 ?-? 2.026 2.145 2.23e+08 ga 5761232 ?-? 2.789 2.856 2.10e+08 ga 5380229 ?-? 1.410 1.625 2.08e+08 ga 3743664 ?-? 0.899 0.801 1.93e+08 ga 4475362 ?-? 1.733 1.888 1.90e+08 ga 3465103 ?-? 2.974 3.102 1.90e+08 ga 8201022 ?-? 2.058 2.283 1.71e+08 ga 4264721 ?-? 6.988 7.920 1.64e+08 ga 10625150 ?-? 2.708 3.088 1.63e+08 ga 1 ?-? 2.572 2.779 1.56e+08 ga 1 ?-? 6.782 7.178 1.56e+08 ga 9944228 ?-? 3.141 3.354 1.56e+08 ga 1 ?-? 2.202 2.416 1.55e+08 ga 2365778 ?-? 2.159 2.818 1.51e+08 ga 1 ?-? 2.273 2.622 1.48e+08 ga 1 ?-? 1.238 1.407 1.47e+08 ga 2473082 ?-? 7.019 7.165 1.45e+08 ga 5722256 ?-? 6.870 7.894 1.43e+08 ga 9424712 ?-? 4.418 3.992 1.37e+08 ga 1 ?-? 2.555 2.973 1.29e+08 ga 1 ?-? 1.841 1.962 1.28e+08 ga 2119331 ?-? 6.360 6.741 1.27e+08 ga 7185652 ?-? -1.107 0.801 1.25e+08 ga 1 ?-? 3.846 4.088 1.24e+08 ga 1 ?-? 1.939 2.146 1.19e+08 ga 2578082 ?-? 7.086 7.190 1.19e+08 ga 3223473 ?-? 3.152 3.276 1.19e+08 ga 2858717 ?-? 2.755 3.407 1.11e+08 ga 1 ?-? 2.884 3.339 1.09e+08 ga 1 ?-? 1.631 1.832 1.08e+08 ga 1507202 ?-? 2.136 2.356 1.07e+08 ga 1954781 ?-? 1.092 1.410 1.05e+08 ga 1441272 ?-? 1.407 0.798 1.04e+08 ga 1993507 ?-? 6.713 6.986 1.03e+08 ga 5557794 ?-? 4.129 8.476 9.97e+07 ga 3018364 ?-? 4.574 8.403 9.97e+07 ga 3058401 ?-? 6.919 7.849 9.92e+07 ga 6269743 ?-? 1.337 1.525 9.48e+07 ga 1635673 ?-? 7.171 7.805 9.37e+07 ga 2945268 ?-? 4.411 1.087 9.32e+07 ga 3917873 ?-? 4.276 8.701 9.05e+07 ga 2661112 ?-? 0.804 0.488 8.77e+07 ga 1925792 ?-? 0.777 0.637 8.76e+07 ga 2672133 ?-? 5.213 9.211 8.76e+07 ga 2551465 ?-? 4.883 9.306 8.50e+07 ga 2697078 ?-? 4.469 8.116 8.48e+07 ga 2505214 ?-? 4.987 9.122 8.26e+07 ga 1992729 ?-? 5.169 8.395 8.25e+07 ga 2439977 ?-? 2.200 1.011 8.00e+07 ga 2527914 ?-? 4.484 9.018 7.96e+07 ga 2197513 ?-? 1.649 1.943 7.75e+07 ga 1134409 ?-? 5.231 8.645 7.40e+07 ga 2202996 ?-? 4.942 9.075 7.19e+07 ga 1776165 ?-? 1.299 3.981 7.18e+07 ga 2677639 ?-? 0.495 0.370 7.10e+07 ga 1211737 ?-? 4.738 7.722 7.00e+07 ga 2431189 ?-? 1.838 6.954 6.84e+07 ga 2425250 ?-? 4.233 8.384 6.74e+07 ga 2521923 ?-? 6.620 6.766 6.59e+07 ga 2763866 ?-? 4.959 7.602 6.58e+07 ga 1631315 ?-? 5.186 9.348 6.55e+07 ga 2170230 ?-? 5.556 8.729 6.54e+07 ga 2834717 ?-? 5.516 10.358 6.52e+07 ga 1637326 ?-? 0.998 0.782 6.37e+07 ga 1530193 ?-? 5.388 9.107 6.36e+07 ga 1545640 ?-? 5.662 9.110 6.36e+07 ga 1559183 ?-? 4.747 3.927 6.29e+07 ga 1458599 ?-? 0.538 7.189 6.20e+07 ga 2679040 ?-? 1.658 0.777 6.19e+07 ga 1456786 ?-? 0.883 0.498 6.16e+07 ga 1532016 ?-? 0.992 3.848 6.11e+07 ga 1562514 ?-? 1.330 0.729 6.09e+07 ga 1878510 ?-? 1.419 1.722 6.01e+07 ga 1046735 ?-? 4.943 1.345 5.90e+07 ga 2226138 ?-? 1.947 2.282 5.86e+07 ga 1317446 ?-? 1.241 3.948 5.75e+07 ga 1560849 ?-? 1.758 0.908 5.72e+07 ga 1255833 ?-? 5.157 8.497 5.72e+07 ga 2383289 ?-? 1.981 0.817 5.67e+07 ga 1669708 ?-? 1.091 0.817 5.65e+07 ga 1064125 ?-? 3.737 1.838 5.57e+07 ga 1033985 ?-? 1.889 2.178 5.55e+07 ga 1268231 ?-? 0.797 0.576 5.55e+07 ga 1277562 ?-? 1.741 3.739 5.54e+07 ga 1315477 ?-? 1.402 0.888 5.48e+07 ga 2297644 ?-? 1.352 1.616 5.45e+07 ga 971589 ?-? 1.001 3.782 5.42e+07 ga 1467212 ?-? 3.319 1.166 5.32e+07 ga 1656360 ?-? 1.298 8.061 5.29e+07 ga 3142702 ?-? 0.879 0.578 5.28e+07 ga 1727621 ?-? 0.992 0.815 5.27e+07 ga 1387440 ?-? 5.231 5.819 5.24e+07 ga 1458679 ?-? 4.828 8.602 5.15e+07 ga 1866188 ?-? 1.515 4.125 5.11e+07 ga 1665055 ?-? 6.772 7.365 5.10e+07 ga 2561802 ?-? 2.709 8.193 5.06e+07 ga 1216736 ?-? 3.097 0.538 4.99e+07 ga 1856528 ?-? -0.050 0.373 4.97e+07 ga 2123355 ?-? 1.758 0.804 4.97e+07 ga 1748146 ?-? 4.675 7.960 4.95e+07 ga 1693252 ?-? 4.374 4.231 4.91e+07 ga 1288378 ?-? 4.266 3.308 4.85e+07 ga 1021035 ?-? 6.931 7.145 4.77e+07 ga 1170024 ?-? 1.971 8.341 4.77e+07 ga 1590947 ?-? 1.740 7.365 4.75e+07 ga 1999345 ?-? 1.657 8.342 4.74e+07 ga 1081972 ?-? 0.729 0.575 4.72e+07 ga 1340733 ?-? 6.990 3.310 4.69e+07 ga 1568673 ?-? 5.276 8.019 4.65e+07 ga 1718898 ?-? 5.820 8.989 4.63e+07 ga 1959231 ?-? 3.844 7.752 4.62e+07 ga 1559026 ?-? 4.213 7.879 4.58e+07 ga 1770020 ?-? 4.309 1.200 4.58e+07 ga 1882550 ?-? 1.819 4.046 4.56e+07 ga 960123 ?-? 1.514 8.355 4.54e+07 ga 2190123 ?-? 7.021 7.879 4.53e+07 ga 1521912 ?-? 3.995 8.019 4.52e+07 ga 1288006 ?-? 2.193 4.015 4.52e+07 ga 922901 ?-? 1.233 4.029 4.49e+07 ga 1084671 ?-? -0.312 0.368 4.48e+07 ga 2137520 ?-? 1.630 0.796 4.46e+07 ga 1176951 ?-? 4.233 8.497 4.43e+07 ga 1653013 ?-? 4.226 1.207 4.41e+07 ga 1746543 ?-? 1.662 0.639 4.40e+07 ga 1615187 ?-? 1.468 1.902 4.39e+07 ga 698154 ?-? 3.825 8.492 4.37e+07 ga 970830 ?-? 3.152 7.805 4.37e+07 ga 1387610 ?-? 3.358 7.593 4.36e+07 ga 1197611 ?-? 1.740 9.183 4.34e+07 ga 2391382 ?-? 4.758 2.983 4.32e+07 ga 1 ?-? 0.888 0.729 4.28e+07 ga 1082341 ?-? 1.759 7.354 4.26e+07 ga 1977328 ?-? 1.231 3.709 4.25e+07 ga 1669358 ?-? 4.312 5.820 4.23e+07 ga 1391268 ?-? 6.620 7.592 4.21e+07 ga 2442892 ?-? 0.537 7.161 4.21e+07 ga 1335501 ?-? 1.633 2.685 4.20e+07 ga 1 ?-? 3.617 0.910 4.18e+07 ga 1922195 ?-? 3.849 0.488 4.17e+07 ga 1528827 ?-? 3.279 7.806 4.06e+07 ga 1166665 ?-? 1.232 1.004 4.02e+07 ga 935412 ?-? 5.183 1.945 4.00e+07 ga 749348 ?-? 1.947 7.960 3.99e+07 ga 1001442 ?-? 7.253 10.199 3.97e+07 ga 2406576 ?-? 4.599 8.598 3.93e+07 ga 1464908 ?-? 2.201 4.122 3.89e+07 ga 1585057 ?-? 1.163 8.292 3.89e+07 ga 1875014 ?-? 4.959 5.661 3.88e+07 ga 1 ?-? 7.465 8.859 3.88e+07 ga 1116670 ?-? 4.673 3.848 3.87e+07 ga 1374766 ?-? 4.418 9.434 3.86e+07 ga 1117292 ?-? 1.820 9.435 3.86e+07 ga 1329298 ?-? 7.081 7.806 3.85e+07 ga 741595 ?-? 1.344 0.539 3.83e+07 ga 1494339 ?-? 1.336 1.841 3.83e+07 ga 826130 ?-? 4.227 1.139 3.79e+07 ga 1321474 ?-? 1.456 1.828 3.78e+07 ga 573534 ?-? 2.160 7.412 3.77e+07 ga 886243 ?-? 8.408 8.493 3.76e+07 ga 877928 ?-? 0.489 7.191 3.76e+07 ga 1133557 ?-? 3.922 0.487 3.73e+07 ga 1490348 ?-? -1.106 0.498 3.73e+07 ga 841381 ?-? 4.762 3.043 3.72e+07 ga 1 ?-? 1.007 8.494 3.70e+07 ga 1584562 ?-? 0.733 0.493 3.70e+07 ga 617365 ?-? 0.910 7.353 3.69e+07 ga 1743257 ?-? 3.139 9.306 3.65e+07 ga 969649 ?-? 1.660 9.129 3.59e+07 ga 1326665 ?-? 4.943 8.494 3.53e+07 ga 1791296 ?-? 4.942 0.503 3.52e+07 ga 1261517 ?-? 3.824 8.194 3.51e+07 ga 723671 ?-? 4.574 -0.052 3.47e+07 ga 749323 ?-? 4.128 0.776 3.47e+07 ga 1320372 ?-? 8.062 8.295 3.46e+07 ga 1623692 ?-? 1.095 1.652 3.45e+07 ga 449873 ?-? 0.575 6.989 3.45e+07 ga 1250424 ?-? 4.750 8.111 3.44e+07 ga 1167070 ?-? 1.760 8.533 3.37e+07 ga 1198777 ?-? 3.314 8.154 3.37e+07 ga 1881604 ?-? 1.983 9.075 3.35e+07 ga 834126 ?-? 3.871 8.493 3.35e+07 ga 864332 ?-? 1.200 5.820 3.34e+07 ga 1176093 ?-? 3.044 8.292 3.34e+07 ga 1050488 ?-? 1.661 3.740 3.32e+07 ga 732824 ?-? 3.320 0.541 3.32e+07 ga 994928 ?-? 1.416 2.023 3.32e+07 ga 627273 ?-? 0.366 8.398 3.31e+07 ga 1120714 ?-? 1.009 4.122 3.29e+07 ga 1989594 ?-? 3.408 7.152 3.25e+07 ga 927721 ?-? 1.342 0.488 3.22e+07 ga 1075267 ?-? 2.236 7.453 3.20e+07 ga 1023948 ?-? 2.708 8.475 3.19e+07 ga 746458 ?-? 1.747 0.638 3.17e+07 ga 1484006 ?-? -1.107 0.576 3.15e+07 ga 818929 ?-? 4.471 1.404 3.14e+07 ga 748921 ?-? 4.126 8.355 3.14e+07 ga 1555091 ?-? 1.842 8.341 3.13e+07 ga 1234720 ?-? 2.525 8.600 3.12e+07 ga 936587 ?-? 5.168 0.992 3.12e+07 ga 1425006 ?-? 2.189 7.453 3.12e+07 ga 1134766 ?-? 3.284 8.153 3.10e+07 ga 1308519 ?-? 4.231 3.855 3.10e+07 ga 1 ?-? 2.886 8.533 3.10e+07 ga 949165 ?-? 4.139 7.364 3.10e+07 ga 1172980 ?-? 4.311 8.989 3.06e+07 ga 1466316 ?-? 2.793 8.881 3.05e+07 ga 1100005 ?-? 4.411 2.928 3.04e+07 ga 916866 ?-? 1.538 1.838 3.04e+07 ga 519157 ?-? 0.503 6.619 3.04e+07 ga 995903 ?-? 3.282 0.501 3.03e+07 ga 780031 ?-? 4.090 7.750 3.02e+07 ga 495024 ?-? 9.114 9.212 3.02e+07 ga 636076 ?-? 1.409 2.092 3.01e+07 ga 594763 ?-? 4.828 1.209 2.99e+07 ga 1118308 ?-? 1.470 0.727 2.99e+07 ga 836635 ?-? 1.338 8.495 2.98e+07 ga 1126629 ?-? 4.383 2.574 2.98e+07 ga 1 ?-? 2.930 8.621 2.97e+07 ga 1136923 ?-? 4.761 8.292 2.96e+07 ga 1477854 ?-? 4.575 -0.311 2.95e+07 ga 1112185 ?-? 1.981 0.994 2.95e+07 ga 1050691 ?-? 1.000 5.516 2.95e+07 ga 885980 ?-? 8.648 8.729 2.92e+07 ga 765420 ?-? 4.277 0.814 2.89e+07 ga 1273807 ?-? 1.163 7.019 2.89e+07 ga 700513 ?-? 4.175 8.358 2.89e+07 ga 1029927 ?-? 3.147 7.593 2.88e+07 ga 813894 ?-? 1.661 4.129 2.88e+07 ga 699184 ?-? 1.877 2.251 2.86e+07 ga 516721 ?-? 1.910 8.494 2.85e+07 ga 787262 ?-? 1.087 0.783 2.83e+07 ga 897551 ?-? 7.355 8.534 2.83e+07 ga 1316523 ?-? 4.130 0.636 2.81e+07 ga 1085557 ?-? 7.412 7.753 2.79e+07 ga 1133600 ?-? 0.800 8.644 2.78e+07 ga 641694 ?-? 4.483 0.368 2.77e+07 ga 1005478 ?-? 4.138 6.771 2.76e+07 ga 769286 ?-? 7.594 7.806 2.76e+07 ga 1215346 ?-? -0.313 8.402 2.75e+07 ga 818401 ?-? 5.172 1.982 2.74e+07 ga 737251 ?-? 0.728 6.712 2.73e+07 ga 1076047 ?-? 4.374 1.141 2.69e+07 ga 1421080 ?-? 4.029 8.298 2.68e+07 ga 1094262 ?-? 1.328 8.700 2.68e+07 ga 636506 ?-? 2.159 6.741 2.68e+07 ga 994769 ?-? 4.410 7.920 2.67e+07 ga 1505685 ?-? 7.084 0.488 2.67e+07 ga 809120 ?-? 3.280 10.357 2.66e+07 ga 572989 ?-? 2.048 9.109 2.65e+07 ga 573077 ?-? 4.226 8.603 2.65e+07 ga 732884 ?-? 4.469 0.891 2.65e+07 ga 1312955 ?-? 5.820 7.193 2.64e+07 ga 831951 ?-? -0.311 0.635 2.64e+07 ga 928129 ?-? 1.970 7.168 2.63e+07 ga 616148 ?-? 1.342 7.341 2.63e+07 ga 1195556 ?-? 2.756 7.151 2.62e+07 ga 738294 ?-? 3.782 7.394 2.60e+07 ga 1 ?-? 4.736 1.240 2.60e+07 ga 1209377 ?-? 4.599 2.272 2.60e+07 ga 1 ?-? 7.191 8.298 2.59e+07 ga 1080132 ?-? 4.012 7.454 2.58e+07 ga 860097 ?-? 3.994 9.434 2.58e+07 ga 925440 ?-? 3.978 8.061 2.57e+07 ga 1170663 ?-? 7.253 9.306 2.57e+07 ga 969711 ?-? 3.617 0.801 2.56e+07 ga 1134399 ?-? 7.806 10.359 2.55e+07 ga 769420 ?-? 5.517 9.105 2.54e+07 ga 641987 ?-? 4.228 2.248 2.52e+07 ga 702623 ?-? 4.482 1.332 2.51e+07 ga 588672 ?-? 3.151 5.657 2.48e+07 ga 480582 ?-? 4.747 3.089 2.47e+07 ga 1 ?-? 1.427 2.979 2.46e+07 ga 414332 ?-? 3.088 8.194 2.46e+07 ga 671270 ?-? 2.522 2.875 2.44e+07 ga 1 ?-? 1.353 1.914 2.43e+07 ga 465629 ?-? 1.969 7.019 2.43e+07 ga 579955 ?-? 1.752 3.099 2.41e+07 ga 518083 ?-? 4.644 2.819 2.41e+07 ga 1 ?-? 4.481 1.469 2.41e+07 ga 549177 ?-? 1.740 6.770 2.40e+07 ga 856825 ?-? 7.754 8.343 2.40e+07 ga 719158 ?-? 1.741 8.621 2.39e+07 ga 1187999 ?-? 1.414 1.904 2.39e+07 ga 357932 ?-? 4.388 8.880 2.39e+07 ga 983350 ?-? 1.880 7.722 2.39e+07 ga 702788 ?-? 1.344 4.028 2.39e+07 ga 733654 ?-? 3.335 0.502 2.38e+07 ga 651782 ?-? 1.628 7.462 2.38e+07 ga 809338 ?-? 5.176 9.113 2.38e+07 ga 714066 ?-? 0.775 8.344 2.37e+07 ga 727278 ?-? 3.322 0.577 2.36e+07 ga 857090 ?-? 1.987 0.780 2.36e+07 ga 514497 ?-? 8.341 7.190 2.33e+07 ga 1178591 ?-? 5.271 2.970 2.33e+07 ga 1 ?-? 5.158 1.738 2.33e+07 ga 362844 ?-? 4.029 7.190 2.33e+07 ga 1056131 ?-? 0.992 8.396 2.33e+07 ga 915427 ?-? 3.870 8.194 2.32e+07 ga 862067 ?-? 1.838 7.354 2.31e+07 ga 724196 ?-? 4.885 2.040 2.31e+07 ga 371342 ?-? 2.622 7.601 2.31e+07 ga 510195 ?-? 4.410 7.021 2.31e+07 ga 747507 ?-? 5.158 1.891 2.31e+07 ga 462372 ?-? 9.185 3.309 2.30e+07 ga 967193 ?-? 4.419 8.019 2.30e+07 ga 499213 ?-? 1.542 4.135 2.30e+07 ga 719853 ?-? 1.969 2.685 2.29e+07 ga 1 ?-? 1.298 8.297 2.29e+07 ga 1101197 ?-? 0.727 0.368 2.29e+07 ga 934188 ?-? 4.212 7.397 2.29e+07 ga 1 ?-? -0.052 8.396 2.27e+07 ga 562632 ?-? 3.341 6.619 2.26e+07 ga 562465 ?-? 4.027 7.341 2.25e+07 ga 884022 ?-? 6.952 3.739 2.25e+07 ga 767335 ?-? 4.209 1.724 2.24e+07 ga 339439 ?-? 1.741 4.138 2.23e+07 ga 563996 ?-? 4.278 5.556 2.22e+07 ga 661546 ?-? 1.009 7.342 2.22e+07 ga 986442 ?-? 4.411 8.622 2.21e+07 ga 967753 ?-? 0.501 9.074 2.21e+07 ga 703684 ?-? 5.213 3.357 2.20e+07 ga 1 ?-? 5.229 1.909 2.20e+07 ga 362209 ?-? 1.089 7.021 2.19e+07 ga 581581 ?-? 4.385 2.787 2.19e+07 ga 1 ?-? 4.215 2.023 2.18e+07 ga 451941 ?-? 1.202 1.635 2.15e+07 ga 323189 ?-? 3.096 0.487 2.14e+07 ga 929093 ?-? 4.412 8.346 2.14e+07 ga 687139 ?-? 4.956 2.879 2.13e+07 ga 1 ?-? 3.849 9.109 2.13e+07 ga 677762 ?-? 5.228 1.202 2.11e+07 ga 766676 ?-? 3.874 -0.310 2.11e+07 ga 610161 ?-? 1.759 3.617 2.11e+07 ga 558881 ?-? 4.983 2.043 2.10e+07 ga 312490 ?-? 2.862 8.622 2.10e+07 ga 912779 ?-? 2.928 4.013 2.10e+07 ga 427850 ?-? 1.606 2.896 2.09e+07 ga 669479 ?-? 6.955 7.352 2.09e+07 ga 983918 ?-? 5.168 3.852 2.09e+07 ga 557712 ?-? 7.397 7.879 2.08e+07 ga 741765 ?-? 4.267 6.991 2.08e+07 ga 661276 ?-? 4.944 -1.110 2.07e+07 ga 1 ?-? 0.503 6.768 2.07e+07 ga 591776 ?-? 4.161 2.844 2.07e+07 ga 1 ?-? 3.945 8.404 2.07e+07 ga 683672 ?-? 3.338 6.769 2.06e+07 ga 533475 ?-? 7.455 9.129 2.05e+07 ga 1060308 ?-? 3.744 9.183 2.05e+07 ga 979441 ?-? 0.635 0.369 2.05e+07 ga 716750 ?-? 3.410 7.187 2.05e+07 ga 607013 ?-? 0.538 8.340 2.04e+07 ga 1094463 ?-? 5.169 9.072 2.03e+07 ga 673652 ?-? 2.019 5.557 2.02e+07 ga 438078 ?-? 7.086 3.406 2.01e+07 ga 1 ?-? 3.854 0.636 2.01e+07 ga 1 ?-? 4.405 2.868 2.01e+07 ga 667712 ?-? 7.194 8.989 2.00e+07 ga 710018 ?-? 1.515 7.022 1.99e+07 ga 782237 ?-? 4.985 1.989 1.99e+07 ga 413485 ?-? 8.994 9.122 1.99e+07 ga 441757 ?-? 3.618 7.353 1.97e+07 ga 772172 ?-? 2.684 8.341 1.97e+07 ga 1052173 ?-? 6.369 2.842 1.96e+07 ga 1 ?-? 7.454 8.153 1.96e+07 ga 1133883 ?-? 1.344 7.189 1.96e+07 ga 937670 ?-? 1.634 2.772 1.95e+07 ga 429968 ?-? 1.731 8.117 1.95e+07 ga 466495 ?-? 1.270 3.187 1.95e+07 ga 1463274 ?-? 1.740 0.728 1.95e+07 ga 710932 ?-? 1.540 3.737 1.93e+07 ga 315466 ?-? 2.273 7.604 1.93e+07 ga 431170 ?-? 2.240 8.154 1.93e+07 ga 743768 ?-? 4.748 8.475 1.92e+07 ga 637043 ?-? 0.490 9.124 1.92e+07 ga 452429 ?-? 8.622 9.183 1.91e+07 ga 978982 ?-? 1.405 0.727 1.91e+07 ga 479362 ?-? 6.376 7.154 1.91e+07 ga 1 ?-? 8.154 9.183 1.89e+07 ga 1090529 ?-? 2.990 8.292 1.89e+07 ga 580246 ?-? 2.202 8.493 1.89e+07 ga 723096 ?-? 1.455 4.048 1.89e+07 ga 436403 ?-? 2.157 0.794 1.88e+07 ga 358279 ?-? 3.141 7.252 1.88e+07 ga 827695 ?-? 6.990 3.281 1.87e+07 ga 1013599 ?-? 4.885 7.253 1.87e+07 ga 992247 ?-? 2.756 7.183 1.85e+07 ga 474502 ?-? 4.173 2.209 1.84e+07 ga 336965 ?-? 7.365 10.199 1.82e+07 ga 1102337 ?-? 2.020 5.388 1.82e+07 ga 336847 ?-? 1.344 9.348 1.81e+07 ga 696358 ?-? 0.727 6.990 1.81e+07 ga 667315 ?-? 0.634 8.474 1.81e+07 ga 678380 ?-? 4.228 2.174 1.80e+07 ga 283998 ?-? 3.153 0.504 1.80e+07 ga 587260 ?-? 5.554 8.698 1.80e+07 ga 469679 ?-? 7.413 8.881 1.79e+07 ga 999786 ?-? 1.336 0.575 1.79e+07 ga 534043 ?-? 4.599 2.623 1.78e+07 ga 356653 ?-? 4.227 1.889 1.78e+07 ga 368734 ?-? 1.410 7.462 1.77e+07 ga 483836 ?-? 4.486 8.397 1.77e+07 ga 417026 ?-? 0.815 8.700 1.75e+07 ga 696612 ?-? 4.888 8.492 1.75e+07 ga 494597 ?-? 4.956 2.520 1.75e+07 ga 268744 ?-? 0.574 0.372 1.75e+07 ga 419554 ?-? 1.650 0.495 1.74e+07 ga 311482 ?-? 1.240 2.974 1.74e+07 ga 1 ?-? 1.000 10.357 1.73e+07 ga 587623 ?-? 1.753 0.486 1.73e+07 ga 476738 ?-? 1.164 8.062 1.73e+07 ga 987495 ?-? 6.955 8.340 1.73e+07 ga 963487 ?-? 4.943 9.349 1.73e+07 ga 597535 ?-? 3.098 7.190 1.72e+07 ga 794530 ?-? 1.842 3.978 1.72e+07 ga 434664 ?-? 8.623 8.881 1.72e+07 ga 1061255 ?-? 6.561 3.336 1.72e+07 ga 1 ?-? 3.409 9.115 1.71e+07 ga 615746 ?-? 3.409 5.387 1.70e+07 ga 426513 ?-? 4.139 9.129 1.70e+07 ga 1057315 ?-? 4.886 1.924 1.70e+07 ga 464028 ?-? 7.021 8.357 1.70e+07 ga 968897 ?-? 0.485 8.729 1.68e+07 ga 768508 ?-? 2.756 9.114 1.68e+07 ga 575202 ?-? 5.156 1.467 1.68e+07 ga 295169 ?-? 2.049 2.365 1.67e+07 ga 382851 ?-? 4.574 0.369 1.67e+07 ga 555228 ?-? 4.988 2.363 1.67e+07 ga 1 ?-? 2.558 5.273 1.67e+07 ga 378314 ?-? 0.484 8.989 1.67e+07 ga 701173 ?-? 8.535 9.129 1.66e+07 ga 1026732 ?-? 2.845 8.598 1.66e+07 ga 776403 ?-? 0.487 6.711 1.65e+07 ga 492557 ?-? 1.235 7.183 1.65e+07 ga 512306 ?-? 1.743 0.777 1.64e+07 ga 437457 ?-? -1.107 8.645 1.64e+07 ga 441807 ?-? 5.554 1.946 1.64e+07 ga 408155 ?-? -1.103 0.874 1.64e+07 ga 230141 ?-? 4.482 0.728 1.64e+07 ga 647788 ?-? 1.630 2.855 1.63e+07 ga 364584 ?-? 3.338 8.533 1.63e+07 ga 559814 ?-? 2.757 0.486 1.62e+07 ga 518776 ?-? 7.016 8.340 1.61e+07 ga 673051 ?-? 5.276 9.016 1.61e+07 ga 778015 ?-? 10.357 3.158 1.61e+07 ga 1 ?-? 3.086 8.474 1.61e+07 ga 425374 ?-? 3.318 8.293 1.60e+07 ga 793509 ?-? 1.420 3.104 1.60e+07 ga 358413 ?-? 4.406 7.881 1.60e+07 ga 451991 ?-? 5.211 9.307 1.59e+07 ga 460825 ?-? 4.947 3.279 1.59e+07 ga 1 ?-? 4.231 7.719 1.58e+07 ga 708672 ?-? 4.642 2.164 1.57e+07 ga 1 ?-? 4.266 8.154 1.57e+07 ga 763130 ?-? 1.631 7.168 1.57e+07 ga 323718 ?-? 2.017 7.150 1.57e+07 ga 375822 ?-? 2.755 0.541 1.57e+07 ga 446335 ?-? 1.816 8.859 1.57e+07 ga 373574 ?-? 1.240 7.722 1.57e+07 ga 623648 ?-? 1.343 3.100 1.56e+07 ga 485240 ?-? 2.042 1.002 1.56e+07 ga 450323 ?-? 3.708 8.296 1.56e+07 ga 732257 ?-? 0.538 7.021 1.56e+07 ga 537401 ?-? 2.179 7.723 1.55e+07 ga 392879 ?-? 5.226 9.105 1.55e+07 ga 558634 ?-? 2.880 6.619 1.55e+07 ga 311251 ?-? 4.050 9.435 1.55e+07 ga 705942 ?-? 3.350 0.574 1.54e+07 ga 800769 ?-? 1.407 8.115 1.54e+07 ga 397322 ?-? 2.820 7.414 1.54e+07 ga 547406 ?-? 2.237 4.026 1.53e+07 ga 449666 ?-? 2.968 9.018 1.53e+07 ga 377820 ?-? 5.190 2.046 1.53e+07 ga 291625 ?-? 3.711 4.020 1.52e+07 ga 423099 ?-? 4.572 5.214 1.52e+07 ga 361484 ?-? 2.049 5.516 1.51e+07 ga 296420 ?-? 1.090 1.981 1.51e+07 ga 279122 ?-? 4.765 7.343 1.51e+07 ga 499885 ?-? 7.150 9.116 1.51e+07 ga 404295 ?-? 1.658 0.728 1.51e+07 ga 433113 ?-? 1.910 9.108 1.51e+07 ga 392511 ?-? 1.344 7.148 1.51e+07 ga 510140 ?-? 1.608 3.714 1.51e+07 ga 1 ?-? 5.154 8.020 1.50e+07 ga 459937 ?-? 4.644 7.409 1.49e+07 ga 616034 ?-? 7.083 3.851 1.49e+07 ga 415764 ?-? 0.488 6.991 1.49e+07 ga 452136 ?-? 5.156 1.404 1.49e+07 ga 234458 ?-? 2.035 8.358 1.48e+07 ga 335453 ?-? 5.156 8.117 1.48e+07 ga 448412 ?-? 4.754 2.710 1.47e+07 ga 1 ?-? 4.217 1.405 1.47e+07 ga 332448 ?-? 2.039 8.495 1.46e+07 ga 409420 ?-? -0.310 0.503 1.45e+07 ga 615094 ?-? 4.737 8.402 1.45e+07 ga 612166 ?-? 4.737 2.553 1.42e+07 ga 1 ?-? 4.827 9.213 1.42e+07 ga 469603 ?-? 8.481 8.193 1.41e+07 ga 369307 ?-? 0.995 9.106 1.41e+07 ga 392089 ?-? 1.476 8.701 1.41e+07 ga 404361 ?-? 1.881 9.435 1.41e+07 ga 471834 ?-? 4.277 1.093 1.40e+07 ga 239789 ?-? 2.862 4.013 1.40e+07 ga 201829 ?-? 4.945 10.358 1.40e+07 ga 303839 ?-? 1.332 3.737 1.39e+07 ga 371452 ?-? 4.414 7.720 1.39e+07 ga 378040 ?-? 1.481 2.046 1.38e+07 ga 251091 ?-? 5.232 7.195 1.38e+07 ga 465747 ?-? 1.990 2.372 1.38e+07 ga 254736 ?-? 1.166 7.167 1.37e+07 ga 510227 ?-? 4.946 1.002 1.37e+07 ga 349384 ?-? 2.153 5.556 1.37e+07 ga 212950 ?-? 2.249 0.636 1.37e+07 ga 482921 ?-? 4.479 -0.056 1.36e+07 ga 261359 ?-? 2.879 7.807 1.36e+07 ga 386380 ?-? 4.675 8.990 1.36e+07 ga 719829 ?-? 4.471 7.463 1.36e+07 ga 536044 ?-? 4.404 7.755 1.36e+07 ga 315795 ?-? 2.158 6.359 1.35e+07 ga 439746 ?-? 3.318 7.168 1.35e+07 ga 321851 ?-? 4.169 7.881 1.34e+07 ga 330512 ?-? 1.550 9.128 1.33e+07 ga 604334 ?-? 2.159 3.742 1.32e+07 ga 321504 ?-? 2.441 7.894 1.32e+07 ga 525233 ?-? 2.816 6.741 1.32e+07 ga 675754 ?-? 3.407 0.539 1.31e+07 ga 340350 ?-? 2.977 1.003 1.30e+07 ga 207931 ?-? -0.311 10.200 1.30e+07 ga 771642 ?-? 4.279 0.783 1.30e+07 ga 339038 ?-? 3.742 6.988 1.30e+07 ga 405363 ?-? 3.097 0.910 1.30e+07 ga 546326 ?-? 4.210 2.097 1.28e+07 ga 334375 ?-? 6.741 7.410 1.28e+07 ga 453972 ?-? 3.945 7.720 1.27e+07 ga 329054 ?-? 4.272 2.785 1.27e+07 ga 1 ?-? 7.343 8.495 1.27e+07 ga 583903 ?-? 3.827 -0.313 1.27e+07 ga 315821 ?-? 5.556 8.386 1.26e+07 ga 469615 ?-? 5.665 7.806 1.26e+07 ga 333936 ?-? 7.015 7.806 1.26e+07 ga 365093 ?-? 4.598 7.603 1.26e+07 ga 291961 ?-? 1.661 7.455 1.26e+07 ga 438837 ?-? 1.837 0.912 1.25e+07 ga 295307 ?-? 1.466 9.435 1.25e+07 ga 514871 ?-? 2.559 9.016 1.25e+07 ga 330461 ?-? 1.966 3.979 1.25e+07 ga 275500 ?-? 4.277 9.071 1.25e+07 ga 502828 ?-? 3.356 9.309 1.25e+07 ga 446551 ?-? 5.819 8.646 1.24e+07 ga 449703 ?-? 2.195 8.154 1.24e+07 ga 418634 ?-? 1.849 2.686 1.24e+07 ga 1 ?-? 3.152 6.616 1.24e+07 ga 299953 ?-? 4.487 8.701 1.24e+07 ga 305224 ?-? 2.886 6.770 1.24e+07 ga 302935 ?-? 5.665 7.601 1.24e+07 ga 285186 ?-? 2.879 8.600 1.23e+07 ga 457046 ?-? 1.630 3.987 1.22e+07 ga 202735 ?-? 0.370 9.019 1.21e+07 ga 461093 ?-? 2.091 5.385 1.21e+07 ga 169746 ?-? -0.318 8.490 1.20e+07 ga 331217 ?-? 4.281 1.418 1.20e+07 ga 195530 ?-? 4.959 8.598 1.20e+07 ga 269289 ?-? 2.242 3.622 1.20e+07 ga 205528 ?-? 0.805 8.732 1.19e+07 ga 335511 ?-? 2.928 8.882 1.19e+07 ga 517626 ?-? 2.573 8.880 1.19e+07 ga 473703 ?-? 4.671 0.483 1.19e+07 ga 390115 ?-? 7.149 9.348 1.18e+07 ga 420956 ?-? 2.865 8.879 1.18e+07 ga 440365 ?-? 4.940 8.642 1.18e+07 ga 335434 ?-? 1.471 8.497 1.18e+07 ga 428870 ?-? 6.615 7.805 1.18e+07 ga 333312 ?-? -0.311 7.365 1.18e+07 ga 405072 ?-? 0.574 6.713 1.17e+07 ga 438033 ?-? 3.847 8.398 1.17e+07 ga 269887 ?-? 3.324 6.721 1.16e+07 ga 1 ?-? 5.820 8.108 1.16e+07 ga 417037 ?-? 5.219 -0.311 1.16e+07 ga 204020 ?-? 1.541 0.507 1.15e+07 ga 187127 ?-? 0.894 8.117 1.14e+07 ga 353795 ?-? 3.849 0.800 1.14e+07 ga 416294 ?-? 1.202 8.109 1.14e+07 ga 367681 ?-? 2.619 7.399 1.14e+07 ga 1 ?-? 4.168 2.533 1.14e+07 ga 1 ?-? 3.154 9.107 1.13e+07 ga 318770 ?-? 2.791 7.409 1.13e+07 ga 309185 ?-? 0.495 7.362 1.13e+07 ga 295045 ?-? 4.468 1.627 1.13e+07 ga 377717 ?-? 0.999 9.071 1.13e+07 ga 355583 ?-? 3.742 0.726 1.13e+07 ga 524492 ?-? 1.534 6.956 1.12e+07 ga 377526 ?-? 3.050 8.062 1.12e+07 ga 343539 ?-? 0.501 8.396 1.11e+07 ga 261639 ?-? 3.782 5.520 1.11e+07 ga 339194 ?-? 7.082 0.540 1.10e+07 ga 287183 ?-? 1.478 8.644 1.10e+07 ga 248307 ?-? 4.750 8.730 1.09e+07 ga 677242 ?-? 4.229 7.461 1.09e+07 ga 291818 ?-? 1.840 7.019 1.09e+07 ga 274112 ?-? 5.171 0.504 1.08e+07 ga 328703 ?-? 0.487 8.110 1.08e+07 ga 350995 ?-? 8.492 8.699 1.08e+07 ga 315347 ?-? 5.519 7.396 1.07e+07 ga 1 ?-? 4.227 0.630 1.07e+07 ga 149348 ?-? 1.416 9.073 1.07e+07 ga 265897 ?-? 1.467 8.019 1.07e+07 ga 243798 ?-? 1.238 7.882 1.07e+07 ga 276255 ?-? 0.994 7.181 1.06e+07 ga 439935 ?-? 4.749 1.205 1.06e+07 ga 404156 ?-? 5.387 7.152 1.06e+07 ga 372958 ?-? 1.628 0.999 1.06e+07 ga 343376 ?-? 8.856 9.434 1.06e+07 ga 393796 ?-? 3.744 7.411 1.05e+07 ga 262880 ?-? 4.945 3.158 1.05e+07 ga 309174 ?-? 3.356 9.217 1.05e+07 ga 345865 ?-? 2.754 5.388 1.04e+07 ga 340906 ?-? 4.118 8.332 1.04e+07 ga 289252 ?-? 7.393 7.601 1.04e+07 ga 269148 ?-? 6.558 7.084 1.04e+07 ga 235994 ?-? 6.993 9.183 1.04e+07 ga 470463 ?-? 6.952 3.709 1.03e+07 ga 426277 ?-? 9.184 3.275 1.03e+07 ga 1 ?-? 1.337 0.369 1.03e+07 ga 350050 ?-? 1.996 9.118 1.03e+07 ga 298173 ?-? 5.154 1.326 1.03e+07 ga 255266 ?-? 5.228 1.475 1.02e+07 ga 254242 ?-? 1.631 0.888 1.02e+07 ga 351881 ?-? 8.343 7.414 1.02e+07 ga 259414 ?-? 4.985 2.133 1.02e+07 ga 350844 ?-? 0.801 7.355 1.02e+07 ga 398721 ?-? 2.818 0.798 1.02e+07 ga 315570 ?-? 3.285 5.658 1.01e+07 ga 217748 ?-? 3.872 10.201 1.01e+07 ga 317106 ?-? 5.664 10.360 1.00e+07 ga 265514 ?-? 0.572 6.766 1.00e+07 ga 280664 ?-? 2.878 7.169 1.00e+07 ga 220859 ?-? 1.939 9.348 9.99e+06 ga 248120 ?-? 4.219 1.240 9.98e+06 ga 356373 ?-? 2.970 7.178 9.96e+06 ga 374761 ?-? 3.329 9.130 9.94e+06 ga 233296 ?-? 3.851 5.653 9.91e+06 ga 368859 ?-? 3.408 0.486 9.86e+06 ga 287957 ?-? 2.360 7.848 9.82e+06 ga 269397 ?-? 0.728 8.699 9.81e+06 ga 385388 ?-? 3.317 7.191 9.78e+06 ga 519274 ?-? 5.232 2.040 9.74e+06 ga 168579 ?-? 9.113 10.356 9.74e+06 ga 257759 ?-? 3.747 0.782 9.72e+06 ga 178640 ?-? 3.876 0.368 9.71e+06 ga 286189 ?-? 4.414 2.247 9.71e+06 ga 273005 ?-? 1.836 7.165 9.69e+06 ga 275937 ?-? 4.405 7.407 9.66e+06 ga 293901 ?-? -0.050 0.502 9.65e+06 ga 224450 ?-? 4.749 0.487 9.60e+06 ga 471853 ?-? 2.199 3.612 9.57e+06 ga 221549 ?-? 3.740 7.354 9.55e+06 ga 313297 ?-? 1.293 3.716 9.54e+06 ga 1 ?-? 2.025 8.727 9.53e+06 ga 309253 ?-? 0.907 8.532 9.50e+06 ga 381091 ?-? 5.215 3.149 9.46e+06 ga 1 ?-? 0.487 8.648 9.44e+06 ga 306100 ?-? 2.629 3.782 9.42e+06 ga 1 ?-? 7.190 7.348 9.39e+06 ga 244880 ?-? 3.982 8.297 9.38e+06 ga 233857 ?-? 3.408 9.098 9.36e+06 ga 420903 ?-? 1.740 0.370 9.33e+06 ga 496303 ?-? 1.900 8.119 9.29e+06 ga 159236 ?-? 1.209 9.210 9.28e+06 ga 380731 ?-? 3.405 7.805 9.27e+06 ga 293272 ?-? 1.714 7.879 9.25e+06 ga 245315 ?-? 0.799 8.531 9.25e+06 ga 417435 ?-? 5.184 7.961 9.24e+06 ga 367069 ?-? 5.529 1.905 9.23e+06 ga 218214 ?-? 2.181 9.435 9.21e+06 ga 314918 ?-? 3.923 8.110 9.20e+06 ga 352276 ?-? 4.137 7.457 9.15e+06 ga 222849 ?-? 1.930 8.392 9.13e+06 ga 247185 ?-? 3.856 7.194 9.13e+06 ga 223582 ?-? 1.984 8.385 9.05e+06 ga 218360 ?-? 3.845 8.346 8.99e+06 ga 191103 ?-? 2.558 7.177 8.99e+06 ga 392617 ?-? 0.484 5.817 8.96e+06 ga 252501 ?-? 3.141 9.211 8.95e+06 ga 217867 ?-? 1.006 4.032 8.94e+06 ga 216762 ?-? 4.281 2.141 8.93e+06 ga 287494 ?-? 2.682 6.957 8.85e+06 ga 277106 ?-? 1.208 8.603 8.83e+06 ga 326728 ?-? 5.205 7.250 8.79e+06 ga 253537 ?-? 3.846 8.991 8.78e+06 ga 250103 ?-? 4.751 7.920 8.77e+06 ga 447954 ?-? 4.210 6.376 8.73e+06 ga 1 ?-? 4.166 8.597 8.73e+06 ga 369611 ?-? 1.141 8.860 8.64e+06 ga 179473 ?-? 1.350 8.646 8.63e+06 ga 219075 ?-? 4.470 0.800 8.61e+06 ga 204726 ?-? 2.534 8.357 8.59e+06 ga 327880 ?-? 4.016 8.622 8.59e+06 ga 452319 ?-? 4.268 9.183 8.59e+06 ga 318191 ?-? 2.883 0.574 8.58e+06 ga 261144 ?-? 4.942 0.789 8.57e+06 ga 266621 ?-? 1.237 3.100 8.51e+06 ga 287506 ?-? 0.499 7.803 8.48e+06 ga 232140 ?-? 4.644 7.755 8.48e+06 ga 202341 ?-? 2.885 9.129 8.47e+06 ga 400920 ?-? 4.224 8.854 8.46e+06 ga 248174 ?-? 4.747 0.633 8.46e+06 ga 240425 ?-? 0.792 6.709 8.45e+06 ga 246265 ?-? 2.089 7.142 8.41e+06 ga 213918 ?-? 4.374 7.466 8.40e+06 ga 294495 ?-? 1.235 7.346 8.38e+06 ga 231332 ?-? 6.552 7.805 8.35e+06 ga 218677 ?-? 7.463 8.111 8.33e+06 ga 199200 ?-? 1.744 8.345 8.30e+06 ga 180739 ?-? 2.051 8.646 8.27e+06 ga 1 ?-? 4.416 1.884 8.26e+06 ga 214179 ?-? 1.243 8.401 8.23e+06 ga 435719 ?-? 3.284 7.595 8.20e+06 ga 232953 ?-? 2.685 7.166 8.20e+06 ga 184244 ?-? 5.513 7.802 8.14e+06 ga 217945 ?-? 6.529 7.185 8.12e+06 ga 196030 ?-? 0.480 7.959 8.10e+06 ga 265584 ?-? 2.428 4.013 8.09e+06 ga 193387 ?-? 0.489 7.154 8.06e+06 ga 362689 ?-? 4.312 2.358 8.01e+06 ga 1 ?-? 0.816 9.071 8.01e+06 ga 270695 ?-? 4.375 8.852 8.01e+06 ga 299098 ?-? 4.993 9.348 7.99e+06 ga 195970 ?-? 1.232 8.297 7.99e+06 ga 312972 ?-? 1.973 6.954 7.99e+06 ga 305126 ?-? 1.658 7.360 7.95e+06 ga 213450 ?-? 2.759 9.132 7.94e+06 ga 363840 ?-? 1.200 8.986 7.93e+06 ga 353032 ?-? 0.366 7.366 7.93e+06 ga 246022 ?-? 0.881 9.073 7.87e+06 ga 174671 ?-? 1.207 3.846 7.85e+06 ga 335413 ?-? 3.055 1.008 7.76e+06 ga 276653 ?-? 3.703 1.842 7.74e+06 ga 349346 ?-? 0.997 5.657 7.73e+06 ga 294631 ?-? 2.094 6.925 7.72e+06 ga 198582 ?-? 1.618 6.955 7.71e+06 ga 1 ?-? 2.566 7.414 7.70e+06 ga 206877 ?-? 8.404 9.020 7.66e+06 ga 191850 ?-? 3.360 7.251 7.65e+06 ga 424749 ?-? 4.123 7.340 7.63e+06 ga 427420 ?-? 4.758 1.162 7.63e+06 ga 237203 ?-? 4.741 9.014 7.62e+06 ga 1 ?-? 2.027 8.390 7.58e+06 ga 213996 ?-? 8.339 7.166 7.56e+06 ga 400150 ?-? 4.213 7.014 7.54e+06 ga 174098 ?-? 0.782 9.078 7.48e+06 ga 189310 ?-? 1.549 7.453 7.41e+06 ga 251098 ?-? 3.708 7.191 7.41e+06 ga 243961 ?-? 4.138 9.184 7.40e+06 ga 288215 ?-? 4.267 8.881 7.36e+06 ga 281805 ?-? 2.056 9.343 7.33e+06 ga 220978 ?-? 4.124 7.020 7.32e+06 ga 244673 ?-? 2.428 6.867 7.28e+06 ga 252372 ?-? 3.616 8.533 7.27e+06 ga 256154 ?-? 1.000 7.395 7.20e+06 ga 1 ?-? 4.011 8.878 7.19e+06 ga 181345 ?-? 5.215 7.592 7.17e+06 ga 224094 ?-? 7.804 9.109 7.11e+06 ga 281246 ?-? 7.193 8.647 7.08e+06 ga 176408 ?-? 4.950 0.879 7.07e+06 ga 176874 ?-? 2.998 7.341 7.06e+06 ga 191480 ?-? 1.452 8.117 7.05e+06 ga 193392 ?-? 8.647 1.198 7.01e+06 ga 303419 ?-? 0.814 6.781 7.01e+06 ga 303646 ?-? 5.184 1.347 7.00e+06 ga 200338 ?-? 2.416 7.455 6.99e+06 ga 203422 ?-? 3.273 9.111 6.96e+06 ga 197661 ?-? 1.241 8.496 6.95e+06 ga 279652 ?-? 4.892 2.206 6.94e+06 ga 196996 ?-? 4.750 0.999 6.93e+06 ga 218717 ?-? 3.318 8.061 6.93e+06 ga 310378 ?-? 6.359 7.410 6.91e+06 ga 223927 ?-? 3.745 8.621 6.89e+06 ga 308584 ?-? 1.641 7.256 6.89e+06 ga 197455 ?-? 1.335 6.953 6.88e+06 ga 217341 ?-? 4.571 9.211 6.88e+06 ga 273440 ?-? 1.345 4.121 6.87e+06 ga 204683 ?-? 1.203 9.113 6.86e+06 ga 170477 ?-? 0.572 6.621 6.84e+06 ga 226114 ?-? -0.313 7.253 6.84e+06 ga 400462 ?-? 2.250 7.722 6.82e+06 ga 179988 ?-? 0.797 6.992 6.78e+06 ga 180612 ?-? 0.781 8.471 6.75e+06 ga 170765 ?-? 3.097 7.352 6.74e+06 ga 347563 ?-? 4.409 6.988 6.74e+06 ga 441304 ?-? 2.986 8.060 6.71e+06 ga 229258 ?-? 2.896 5.653 6.71e+06 ga 182761 ?-? 4.225 9.213 6.69e+06 ga 1 ?-? 1.740 6.989 6.67e+06 ga 288746 ?-? 0.505 7.598 6.62e+06 ga 205917 ?-? 4.750 6.988 6.62e+06 ga 375930 ?-? 6.520 6.773 6.50e+06 ga 170056 ?-? 8.352 8.600 6.49e+06 ga 321992 ?-? -0.062 0.726 6.49e+06 ga 256231 ?-? 6.361 6.989 6.43e+06 ga 304695 ?-? 2.885 0.504 6.42e+06 ga 198621 ?-? 0.813 7.180 6.39e+06 ga 218027 ?-? 2.925 7.917 6.39e+06 ga 188543 ?-? 3.276 0.573 6.37e+06 ga 271082 ?-? 4.952 7.812 6.35e+06 ga 228458 ?-? 3.738 9.130 6.33e+06 ga 284228 ?-? 1.935 8.731 6.30e+06 ga 302970 ?-? 4.179 2.132 6.26e+06 ga 352466 ?-? 3.928 8.726 6.24e+06 ga 190819 ?-? 2.682 7.020 6.19e+06 ga 188850 ?-? 4.983 8.357 6.12e+06 ga 208289 ?-? 4.173 2.094 6.05e+06 ga 231067 ?-? 2.682 8.534 5.99e+06 ga 319463 ?-? 4.579 3.944 5.98e+06 ga 211587 ?-? 6.577 7.185 5.90e+06 ga 165942 ?-? 2.204 7.344 5.89e+06 ga 304616 ?-? 3.619 7.454 5.87e+06 ga 231202 ?-? 2.051 9.305 5.86e+06 ga 185484 ?-? 1.092 9.066 5.80e+06 ga 138809 ?-? 1.740 0.576 5.79e+06 ga 322337 ?-? 4.227 0.732 5.78e+06 ga 237086 ?-? 1.736 -0.309 5.74e+06 ga 255838 ?-? 3.978 8.340 5.73e+06 ga 302784 ?-? 2.552 0.816 5.71e+06 ga 242067 ?-? 7.085 2.755 5.70e+06 ga 219488 ?-? 4.271 8.385 5.67e+06 ga 290358 ?-? 4.598 8.355 5.65e+06 ga 219710 ?-? 8.349 0.638 5.65e+06 ga 210424 ?-? 2.676 9.131 5.61e+06 ga 162657 ?-? 7.195 9.105 5.56e+06 ga 186529 ?-? 6.619 7.364 5.51e+06 ga 222338 ?-? 5.169 0.818 5.50e+06 ga 210855 ?-? 7.596 6.769 5.49e+06 ga 189852 ?-? 1.400 8.020 5.47e+06 ga 179588 ?-? 7.342 8.292 5.46e+06 ga 254088 ?-? 4.218 1.448 5.44e+06 ga 195548 ?-? 4.146 0.506 5.42e+06 ga 192639 ?-? 6.368 2.530 5.33e+06 ga 179516 ?-? 1.436 9.435 5.28e+06 ga 270178 ?-? 6.366 7.805 5.17e+06 ga 173440 ?-? 6.925 9.354 5.15e+06 ga 155162 ?-? 0.724 8.022 5.14e+06 ga 229789 ?-? 0.367 10.198 5.09e+06 ga 243400 ?-? 7.923 8.618 5.09e+06 ga 323818 ?-? 2.154 8.385 5.09e+06 ga 243318 ?-? 4.019 8.152 5.08e+06 ga 314492 ?-? 4.745 8.193 5.05e+06 ga 226496 ?-? 1.642 0.376 5.05e+06 ga 166629 ?-? 5.154 4.232 4.99e+06 ga 188922 ?-? 5.234 8.992 4.94e+06 ga 222801 ?-? 0.989 6.782 4.86e+06 ga 249302 ?-? 5.551 0.731 4.82e+06 ga 207237 ?-? 5.641 7.009 4.81e+06 ga 170681 ?-? 1.156 6.923 4.75e+06 ga 163462 ?-? 0.538 7.801 4.72e+06 ga 179695 ?-? 1.162 6.376 4.72e+06 ga 225808 ?-? 6.521 7.809 4.70e+06 ga 193718 ?-? 4.934 0.820 4.70e+06 ga 184198 ?-? 4.933 0.573 4.68e+06 ga 215652 ?-? 4.268 2.584 4.67e+06 ga 326884 ?-? 0.545 8.297 4.60e+06 ga 190159 ?-? 4.379 7.419 4.55e+06 ga 222783 ?-? 0.368 6.770 4.49e+06 ga 188357 ?-? 4.770 1.237 4.47e+06 ga 284249 ?-? 1.753 8.504 4.42e+06 ga 225250 ?-? -0.312 7.594 4.41e+06 ga 194875 ?-? 2.822 0.892 4.28e+06 ga 194192 ?-? 4.278 8.496 4.26e+06 ga 215729 ?-? 5.557 4.231 4.24e+06 ga 174263 ?-? 4.313 8.104 4.22e+06 ga 191488 ?-? 2.155 8.727 4.21e+06 ga 184346 ?-? 4.161 6.373 4.13e+06 ga 187224 ?-? 3.317 8.341 4.10e+06 ga 286306 ?-? 5.561 0.486 4.05e+06 ga 239675 ?-? 2.783 6.742 4.02e+06 ga 252664 ?-? 6.991 8.621 3.96e+06 ga 168937 ?-? 8.018 9.017 3.89e+06 ga 178248 ?-? 4.271 6.743 3.71e+06 ga 199516 ?-? 6.988 8.153 3.70e+06 ga 247118 ?-? 1.725 8.492 3.58e+06 ga 201577 ?-? 1.245 6.783 3.57e+06 ga 176686 ?-? 4.757 8.063 3.52e+06 ga 179710 ?-? 0.796 8.145 3.50e+06 ga 221490 ?-? 6.769 9.189 3.50e+06 ga 178171 ?-? -0.308 8.191 3.44e+06 ga 171437 ?-? -1.109 8.728 3.33e+06 ga 178513 ?-? 2.408 7.895 3.22e+06 ga 327970 ?-? 7.157 9.135 3.16e+06 ga 343972 ?-? 4.885 2.282 3.02e+06 ga 214861 ?-? 4.126 0.495 3.00e+06 ga 233003 ?-? -0.310 0.726 2.99e+06 ga 199553 ?-? 4.761 8.499 2.95e+06 ga 196055 ?-? 4.145 0.477 2.92e+06 ga 238039 ?-? 4.474 0.827 2.77e+06 ga 187839 ?-? 1.303 7.191 2.74e+06 ga 234370 ?-? 1.341 6.932 2.59e+06 ga 186581 ?-? 1.297 8.497 2.47e+06 ga 297291 ?-? 5.276 0.819 2.16e+06 ga 207961 ?-? 1.891 9.094 1.95e+06 ga 260658 ?-? 1.532 0.486 1.62e+06 ga 175619 ; 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 . . 31116 1 2 . . H 1 H . 'not observed' 12 ppm . . . 4.67 . . 31116 1 stop_ save_