data_31118 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31118 _Entry.Title ; Site-specific Aspartic Acid Dehydration and Isomerization in Streptococcal Protein GB1: L-isoAsp40 Variant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-10-18 _Entry.Accession_date 2023-10-18 _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. . . 31118 2 A. Guseman A. J. . . 31118 3 A. Gronenborn A. M. . . 31118 4 W. Horne W. S. . . 31118 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'IMMUNE SYSTEM' . 31118 'immunoglobulin binding domain' . 31118 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31118 spectral_peak_list 1 31118 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 386 31118 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 . 31118 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8UMS 'BMRB Entry Tracking System' 31118 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31118 _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. . . 31118 1 2 A. Guseman A. J. . . 31118 1 3 A. Gronenborn A. M. . . 31118 1 4 W. Horne W. S. . . 31118 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31118 _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 . . . . . . 31118 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31118 _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 . 31118 1 2 . GLN . 31118 1 3 . TYR . 31118 1 4 . LYS . 31118 1 5 . LEU . 31118 1 6 . ILE . 31118 1 7 . LEU . 31118 1 8 . ASN . 31118 1 9 . GLY . 31118 1 10 . LYS . 31118 1 11 . THR . 31118 1 12 . LEU . 31118 1 13 . LYS . 31118 1 14 . GLY . 31118 1 15 . GLU . 31118 1 16 . THR . 31118 1 17 . THR . 31118 1 18 . THR . 31118 1 19 . GLU . 31118 1 20 . ALA . 31118 1 21 . VAL . 31118 1 22 . ASP . 31118 1 23 . ALA . 31118 1 24 . ALA . 31118 1 25 . THR . 31118 1 26 . ALA . 31118 1 27 . GLU . 31118 1 28 . LYS . 31118 1 29 . VAL . 31118 1 30 . PHE . 31118 1 31 . LYS . 31118 1 32 . GLN . 31118 1 33 . TYR . 31118 1 34 . ALA . 31118 1 35 . ASN . 31118 1 36 . ASP . 31118 1 37 . ASN . 31118 1 38 . GLY . 31118 1 39 . VAL . 31118 1 40 . IAS . 31118 1 41 . GLY . 31118 1 42 . GLU . 31118 1 43 . TRP . 31118 1 44 . THR . 31118 1 45 . TYR . 31118 1 46 . ASP . 31118 1 47 . ASP . 31118 1 48 . ALA . 31118 1 49 . THR . 31118 1 50 . LYS . 31118 1 51 . THR . 31118 1 52 . PHE . 31118 1 53 . THR . 31118 1 54 . VAL . 31118 1 55 . THR . 31118 1 56 . GLU . 31118 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 31118 1 . GLN 2 2 31118 1 . TYR 3 3 31118 1 . LYS 4 4 31118 1 . LEU 5 5 31118 1 . ILE 6 6 31118 1 . LEU 7 7 31118 1 . ASN 8 8 31118 1 . GLY 9 9 31118 1 . LYS 10 10 31118 1 . THR 11 11 31118 1 . LEU 12 12 31118 1 . LYS 13 13 31118 1 . GLY 14 14 31118 1 . GLU 15 15 31118 1 . THR 16 16 31118 1 . THR 17 17 31118 1 . THR 18 18 31118 1 . GLU 19 19 31118 1 . ALA 20 20 31118 1 . VAL 21 21 31118 1 . ASP 22 22 31118 1 . ALA 23 23 31118 1 . ALA 24 24 31118 1 . THR 25 25 31118 1 . ALA 26 26 31118 1 . GLU 27 27 31118 1 . LYS 28 28 31118 1 . VAL 29 29 31118 1 . PHE 30 30 31118 1 . LYS 31 31 31118 1 . GLN 32 32 31118 1 . TYR 33 33 31118 1 . ALA 34 34 31118 1 . ASN 35 35 31118 1 . ASP 36 36 31118 1 . ASN 37 37 31118 1 . GLY 38 38 31118 1 . VAL 39 39 31118 1 . IAS 40 40 31118 1 . GLY 41 41 31118 1 . GLU 42 42 31118 1 . TRP 43 43 31118 1 . THR 44 44 31118 1 . TYR 45 45 31118 1 . ASP 46 46 31118 1 . ASP 47 47 31118 1 . ALA 48 48 31118 1 . THR 49 49 31118 1 . LYS 50 50 31118 1 . THR 51 51 31118 1 . PHE 52 52 31118 1 . THR 53 53 31118 1 . VAL 54 54 31118 1 . THR 55 55 31118 1 . GLU 56 56 31118 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 31118 _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 . . . . . . . . . . . . . . 31118 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 31118 _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' . . . . . . . . . . . . . . . . 31118 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_IAS _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_IAS _Chem_comp.Entry_ID 31118 _Chem_comp.ID IAS _Chem_comp.Provenance PDB _Chem_comp.Name 'BETA-L-ASPARTIC ACID' _Chem_comp.Type 'L-BETA-PEPTIDE, C-GAMMA LINKING' _Chem_comp.BMRB_code IAS _Chem_comp.PDB_code IAS _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 . _Chem_comp.One_letter_code D _Chem_comp.Three_letter_code IAS _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-/m0/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 'L-aspartic acid' _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 Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1DY5 _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' 1.7.2 31118 IAS C([C@@H](C(=O)O)N)C(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.2 31118 IAS CKLJMWTZIZZHCS-REOHCLBHSA-N InChIKey InChI 1.03 31118 IAS InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1 InChI InChI 1.03 31118 IAS N[C@@H](CC(O)=O)C(O)=O SMILES_CANONICAL CACTVS 3.370 31118 IAS N[CH](CC(O)=O)C(O)=O SMILES CACTVS 3.370 31118 IAS O=C(O)CC(N)C(=O)O SMILES ACDLabs 12.01 31118 IAS 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 '(2S)-2-azanylbutanedioic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.2 31118 IAS 'L-aspartic acid' 'SYSTEMATIC NAME' ACDLabs 12.01 31118 IAS 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 . . . . 49.498 . 14.248 . 23.259 . -0.317 1.688 0.066 1 . 31118 IAS CA CA CA CA . C . . S 0 . . . 1 N N . . . . 48.105 . 13.864 . 23.263 . -0.470 0.286 -0.344 2 . 31118 IAS C C C C . C . . N 0 . . . 1 N N . . . . 47.850 . 12.569 . 22.473 . -1.868 -0.180 -0.029 3 . 31118 IAS O O O O . O . . N 0 . . . 1 N N . . . . 46.794 . 12.412 . 21.851 . -2.534 0.415 0.786 4 . 31118 IAS CB CB CB CB . C . . N 0 . . . 1 N N . . . . 47.150 . 14.974 . 22.822 . 0.539 -0.580 0.413 5 . 31118 IAS CG CG CG CG . C . . N 0 . . . 1 N N . . . . 47.091 . 16.074 . 23.866 . 1.938 -0.195 0.004 6 . 31118 IAS OD1 OD1 OD1 OD1 . O . . N 0 . . . 1 N N . . . . 46.958 . 15.838 . 25.075 . 2.109 0.681 -0.810 7 . 31118 IAS OXT OXT OXT OXT . O . . N 0 . . . 1 N N . . . . 48.735 . 11.735 . 22.529 . -2.374 -1.256 -0.652 8 . 31118 IAS H H H H . H . . N 0 . . . 1 N N . . . . 49.613 . 15.092 . 23.783 . -0.928 2.289 -0.467 9 . 31118 IAS H2 H2 H2 H2 . H . . N 0 . . . 1 N Y . . . . 50.045 . 13.521 . 23.674 . -0.478 1.795 1.056 10 . 31118 IAS HA HA HA HA . H . . N 0 . . . 1 N N . . . . 47.877 . 13.667 . 24.321 . -0.292 0.199 -1.416 11 . 31118 IAS HB2 HB2 HB2 HB2 . H . . N 0 . . . 1 N N . . . . 47.506 . 15.399 . 21.872 . 0.419 -0.425 1.485 12 . 31118 IAS HB3 HB3 HB3 HB3 . H . . N 0 . . . 1 N N . . . . 46.144 . 14.551 . 22.688 . 0.367 -1.630 0.176 13 . 31118 IAS HXT HXT HXT HXT . H . . N 0 . . . 1 N N . . . . 48.481 . 10.969 . 22.028 . -3.275 -1.517 -0.416 14 . 31118 IAS OD2 OD2 OD2 OD2 . O . . N 0 . . . 1 N Y . . . . 47.169 . 17.491 . 23.691 . 2.992 -0.826 0.543 15 . 31118 IAS HD2 HD2 HD2 HD2 . H . . N 0 . . . 1 N Y . . . . 47.101 . 17.919 . 24.536 . 3.869 -0.545 0.250 16 . 31118 IAS 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 . 31118 IAS 2 . SING N H N N 2 . 31118 IAS 3 . SING N H2 N N 3 . 31118 IAS 4 . SING CA C N N 4 . 31118 IAS 5 . SING CA CB N N 5 . 31118 IAS 6 . SING CA HA N N 6 . 31118 IAS 7 . DOUB C O N N 7 . 31118 IAS 8 . SING C OXT N N 8 . 31118 IAS 9 . SING CB CG N N 9 . 31118 IAS 10 . SING CB HB2 N N 10 . 31118 IAS 11 . SING CB HB3 N N 11 . 31118 IAS 12 . DOUB CG OD1 N N 12 . 31118 IAS 13 . SING OXT HXT N N 13 . 31118 IAS 14 . SING CG OD2 N N 14 . 31118 IAS 15 . SING OD2 HD2 N N 15 . 31118 IAS stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31118 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.18 mM B1 Domain of Streptococcal Protein G, L-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, L-isoAsp40 Variant' 'natural abundance' . . 1 $entity_1 . . 0.18 . . mM . . . . 31118 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 31118 1 3 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 31118 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 31118 _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 31118 1 pH 7 . pH* 31118 1 pressure 1 . atm 31118 1 temperature 298 . K 31118 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31118 _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' . . 31118 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 31118 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31118 _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' . . 31118 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 31118 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31118 _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" . . 31118 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 31118 3 'structure calculation' . 31118 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 31118 _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 31118 _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 . . . 31118 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 31118 _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 . . . . . . . . . . . . . . . . . 31118 1 2 '2D 1H-1H COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31118 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31118 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 31118 _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 . . . . . 31118 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 31118 _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' . . . 31118 1 2 '2D 1H-1H COSY' . . . 31118 1 3 '2D 1H-1H NOESY' . . . 31118 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 4.178 0.002 . 1 . . . . A 1 MET HA . 31118 1 2 . 1 . 1 1 1 MET HB2 H 1 2.205 0.000 . 2 . . . . A 1 MET HB2 . 31118 1 3 . 1 . 1 1 1 MET HB3 H 1 2.095 0.000 . 2 . . . . A 1 MET HB3 . 31118 1 4 . 1 . 1 1 1 MET HG2 H 1 2.430 0.000 . 1 . . . . A 1 MET HG2 . 31118 1 5 . 1 . 1 1 1 MET HG3 H 1 2.430 0.000 . 1 . . . . A 1 MET HG3 . 31118 1 6 . 1 . 1 1 1 MET HE1 H 1 2.128 0.000 . 1 . . . . A 1 MET HE1 . 31118 1 7 . 1 . 1 1 1 MET HE2 H 1 2.128 0.000 . 1 . . . . A 1 MET HE2 . 31118 1 8 . 1 . 1 1 1 MET HE3 H 1 2.128 0.000 . 1 . . . . A 1 MET HE3 . 31118 1 9 . 1 . 1 2 2 GLN H H 1 8.367 0.000 . 1 . . . . A 2 GLN H . 31118 1 10 . 1 . 1 2 2 GLN HA H 1 4.985 0.000 . 1 . . . . A 2 GLN HA . 31118 1 11 . 1 . 1 2 2 GLN HB2 H 1 2.043 0.000 . 2 . . . . A 2 GLN HB2 . 31118 1 12 . 1 . 1 2 2 GLN HB3 H 1 1.994 0.000 . 2 . . . . A 2 GLN HB3 . 31118 1 13 . 1 . 1 2 2 GLN HG2 H 1 2.367 0.001 . 2 . . . . A 2 GLN HG2 . 31118 1 14 . 1 . 1 2 2 GLN HG3 H 1 2.132 0.001 . 2 . . . . A 2 GLN HG3 . 31118 1 15 . 1 . 1 2 2 GLN HE21 H 1 6.917 0.000 . 2 . . . . A 2 GLN HE21 . 31118 1 16 . 1 . 1 2 2 GLN HE22 H 1 7.851 0.000 . 2 . . . . A 2 GLN HE22 . 31118 1 17 . 1 . 1 3 3 TYR H H 1 9.117 0.002 . 1 . . . . A 3 TYR H . 31118 1 18 . 1 . 1 3 3 TYR HA H 1 5.376 0.001 . 1 . . . . A 3 TYR HA . 31118 1 19 . 1 . 1 3 3 TYR HB2 H 1 3.409 0.001 . 2 . . . . A 3 TYR HB2 . 31118 1 20 . 1 . 1 3 3 TYR HB3 H 1 2.755 0.001 . 2 . . . . A 3 TYR HB3 . 31118 1 21 . 1 . 1 3 3 TYR HD1 H 1 7.149 0.000 . 1 . . . . A 3 TYR HD1 . 31118 1 22 . 1 . 1 3 3 TYR HD2 H 1 7.149 0.000 . 1 . . . . A 3 TYR HD2 . 31118 1 23 . 1 . 1 3 3 TYR HE1 H 1 6.925 0.000 . 1 . . . . A 3 TYR HE1 . 31118 1 24 . 1 . 1 3 3 TYR HE2 H 1 6.925 0.000 . 1 . . . . A 3 TYR HE2 . 31118 1 25 . 1 . 1 4 4 LYS H H 1 9.096 0.001 . 1 . . . . A 4 LYS H . 31118 1 26 . 1 . 1 4 4 LYS HA H 1 5.239 0.003 . 1 . . . . A 4 LYS HA . 31118 1 27 . 1 . 1 4 4 LYS HB2 H 1 2.043 0.004 . 2 . . . . A 4 LYS HB2 . 31118 1 28 . 1 . 1 4 4 LYS HB3 H 1 1.906 0.003 . 2 . . . . A 4 LYS HB3 . 31118 1 29 . 1 . 1 4 4 LYS HG2 H 1 1.475 0.007 . 2 . . . . A 4 LYS HG2 . 31118 1 30 . 1 . 1 4 4 LYS HG3 H 1 1.355 0.005 . 2 . . . . A 4 LYS HG3 . 31118 1 31 . 1 . 1 4 4 LYS HD2 H 1 1.627 0.003 . 1 . . . . A 4 LYS HD2 . 31118 1 32 . 1 . 1 4 4 LYS HD3 H 1 1.627 0.003 . 1 . . . . A 4 LYS HD3 . 31118 1 33 . 1 . 1 4 4 LYS HE2 H 1 2.859 0.002 . 2 . . . . A 4 LYS HE2 . 31118 1 34 . 1 . 1 4 4 LYS HE3 H 1 2.785 0.001 . 2 . . . . A 4 LYS HE3 . 31118 1 35 . 1 . 1 5 5 LEU H H 1 8.651 0.001 . 1 . . . . A 5 LEU H . 31118 1 36 . 1 . 1 5 5 LEU HA H 1 4.945 0.003 . 1 . . . . A 5 LEU HA . 31118 1 37 . 1 . 1 5 5 LEU HB2 H 1 0.804 0.001 . 2 . . . . A 5 LEU HB2 . 31118 1 38 . 1 . 1 5 5 LEU HB3 H 1 -1.109 0.001 . 2 . . . . A 5 LEU HB3 . 31118 1 39 . 1 . 1 5 5 LEU HG H 1 0.864 0.001 . 1 . . . . A 5 LEU HG . 31118 1 40 . 1 . 1 5 5 LEU HD11 H 1 0.471 0.001 . 2 . . . . A 5 LEU HD11 . 31118 1 41 . 1 . 1 5 5 LEU HD12 H 1 0.471 0.001 . 2 . . . . A 5 LEU HD12 . 31118 1 42 . 1 . 1 5 5 LEU HD13 H 1 0.471 0.001 . 2 . . . . A 5 LEU HD13 . 31118 1 43 . 1 . 1 5 5 LEU HD21 H 1 0.570 0.001 . 2 . . . . A 5 LEU HD21 . 31118 1 44 . 1 . 1 5 5 LEU HD22 H 1 0.570 0.001 . 2 . . . . A 5 LEU HD22 . 31118 1 45 . 1 . 1 5 5 LEU HD23 H 1 0.570 0.001 . 2 . . . . A 5 LEU HD23 . 31118 1 46 . 1 . 1 6 6 ILE H H 1 9.112 0.001 . 1 . . . . A 6 ILE H . 31118 1 47 . 1 . 1 6 6 ILE HA H 1 4.296 0.002 . 1 . . . . A 6 ILE HA . 31118 1 48 . 1 . 1 6 6 ILE HB H 1 1.982 0.002 . 1 . . . . A 6 ILE HB . 31118 1 49 . 1 . 1 6 6 ILE HG12 H 1 1.413 0.000 . 2 . . . . A 6 ILE HG12 . 31118 1 50 . 1 . 1 6 6 ILE HG13 H 1 1.089 0.002 . 2 . . . . A 6 ILE HG13 . 31118 1 51 . 1 . 1 6 6 ILE HG21 H 1 0.807 0.001 . 1 . . . . A 6 ILE HG21 . 31118 1 52 . 1 . 1 6 6 ILE HG22 H 1 0.807 0.001 . 1 . . . . A 6 ILE HG22 . 31118 1 53 . 1 . 1 6 6 ILE HG23 H 1 0.807 0.001 . 1 . . . . A 6 ILE HG23 . 31118 1 54 . 1 . 1 6 6 ILE HD11 H 1 0.778 0.001 . 1 . . . . A 6 ILE HD11 . 31118 1 55 . 1 . 1 6 6 ILE HD12 H 1 0.778 0.001 . 1 . . . . A 6 ILE HD12 . 31118 1 56 . 1 . 1 6 6 ILE HD13 H 1 0.778 0.001 . 1 . . . . A 6 ILE HD13 . 31118 1 57 . 1 . 1 7 7 LEU H H 1 8.734 0.000 . 1 . . . . A 7 LEU H . 31118 1 58 . 1 . 1 7 7 LEU HA H 1 4.481 0.001 . 1 . . . . A 7 LEU HA . 31118 1 59 . 1 . 1 7 7 LEU HB2 H 1 1.407 0.001 . 1 . . . . A 7 LEU HB2 . 31118 1 60 . 1 . 1 7 7 LEU HB3 H 1 1.407 0.001 . 1 . . . . A 7 LEU HB3 . 31118 1 61 . 1 . 1 7 7 LEU HG H 1 1.314 0.002 . 1 . . . . A 7 LEU HG . 31118 1 62 . 1 . 1 7 7 LEU HD11 H 1 0.746 0.000 . 1 . . . . A 7 LEU HD11 . 31118 1 63 . 1 . 1 7 7 LEU HD12 H 1 0.746 0.000 . 1 . . . . A 7 LEU HD12 . 31118 1 64 . 1 . 1 7 7 LEU HD13 H 1 0.746 0.000 . 1 . . . . A 7 LEU HD13 . 31118 1 65 . 1 . 1 7 7 LEU HD21 H 1 0.746 0.000 . 1 . . . . A 7 LEU HD21 . 31118 1 66 . 1 . 1 7 7 LEU HD22 H 1 0.746 0.000 . 1 . . . . A 7 LEU HD22 . 31118 1 67 . 1 . 1 7 7 LEU HD23 H 1 0.746 0.000 . 1 . . . . A 7 LEU HD23 . 31118 1 68 . 1 . 1 8 8 ASN H H 1 9.019 0.001 . 1 . . . . A 8 ASN H . 31118 1 69 . 1 . 1 8 8 ASN HA H 1 5.281 0.002 . 1 . . . . A 8 ASN HA . 31118 1 70 . 1 . 1 8 8 ASN HB2 H 1 3.001 0.002 . 2 . . . . A 8 ASN HB2 . 31118 1 71 . 1 . 1 8 8 ASN HB3 H 1 2.566 0.002 . 2 . . . . A 8 ASN HB3 . 31118 1 72 . 1 . 1 8 8 ASN HD21 H 1 6.790 0.000 . 2 . . . . A 8 ASN HD21 . 31118 1 73 . 1 . 1 8 8 ASN HD22 H 1 7.190 0.000 . 2 . . . . A 8 ASN HD22 . 31118 1 74 . 1 . 1 9 9 GLY H H 1 7.978 0.001 . 1 . . . . A 9 GLY H . 31118 1 75 . 1 . 1 9 9 GLY HA2 H 1 4.386 0.001 . 2 . . . . A 9 GLY HA2 . 31118 1 76 . 1 . 1 9 9 GLY HA3 H 1 3.992 0.000 . 2 . . . . A 9 GLY HA3 . 31118 1 77 . 1 . 1 10 10 LYS H H 1 9.495 0.000 . 1 . . . . A 10 LYS H . 31118 1 78 . 1 . 1 10 10 LYS HA H 1 4.063 0.001 . 1 . . . . A 10 LYS HA . 31118 1 79 . 1 . 1 10 10 LYS HB2 H 1 1.832 0.000 . 1 . . . . A 10 LYS HB2 . 31118 1 80 . 1 . 1 10 10 LYS HB3 H 1 1.832 0.000 . 1 . . . . A 10 LYS HB3 . 31118 1 81 . 1 . 1 10 10 LYS HG2 H 1 1.483 0.000 . 1 . . . . A 10 LYS HG2 . 31118 1 82 . 1 . 1 10 10 LYS HG3 H 1 1.483 0.000 . 1 . . . . A 10 LYS HG3 . 31118 1 83 . 1 . 1 10 10 LYS HD2 H 1 1.684 0.000 . 1 . . . . A 10 LYS HD2 . 31118 1 84 . 1 . 1 10 10 LYS HD3 H 1 1.684 0.000 . 1 . . . . A 10 LYS HD3 . 31118 1 85 . 1 . 1 10 10 LYS HE2 H 1 2.992 0.000 . 1 . . . . A 10 LYS HE2 . 31118 1 86 . 1 . 1 10 10 LYS HE3 H 1 2.992 0.000 . 1 . . . . A 10 LYS HE3 . 31118 1 87 . 1 . 1 11 11 THR H H 1 8.826 0.001 . 1 . . . . A 11 THR H . 31118 1 88 . 1 . 1 11 11 THR HA H 1 4.379 0.001 . 1 . . . . A 11 THR HA . 31118 1 89 . 1 . 1 11 11 THR HB H 1 4.232 0.000 . 1 . . . . A 11 THR HB . 31118 1 90 . 1 . 1 11 11 THR HG21 H 1 1.144 0.001 . 1 . . . . A 11 THR HG21 . 31118 1 91 . 1 . 1 11 11 THR HG22 H 1 1.144 0.001 . 1 . . . . A 11 THR HG22 . 31118 1 92 . 1 . 1 11 11 THR HG23 H 1 1.144 0.001 . 1 . . . . A 11 THR HG23 . 31118 1 93 . 1 . 1 12 12 LEU H H 1 7.416 0.001 . 1 . . . . A 12 LEU H . 31118 1 94 . 1 . 1 12 12 LEU HA H 1 4.463 0.002 . 1 . . . . A 12 LEU HA . 31118 1 95 . 1 . 1 12 12 LEU HB2 H 1 1.598 0.002 . 2 . . . . A 12 LEU HB2 . 31118 1 96 . 1 . 1 12 12 LEU HB3 H 1 1.410 0.004 . 2 . . . . A 12 LEU HB3 . 31118 1 97 . 1 . 1 12 12 LEU HG H 1 1.399 0.000 . 1 . . . . A 12 LEU HG . 31118 1 98 . 1 . 1 12 12 LEU HD11 H 1 0.792 0.001 . 2 . . . . A 12 LEU HD11 . 31118 1 99 . 1 . 1 12 12 LEU HD12 H 1 0.792 0.001 . 2 . . . . A 12 LEU HD12 . 31118 1 100 . 1 . 1 12 12 LEU HD13 H 1 0.792 0.001 . 2 . . . . A 12 LEU HD13 . 31118 1 101 . 1 . 1 12 12 LEU HD21 H 1 0.890 0.001 . 2 . . . . A 12 LEU HD21 . 31118 1 102 . 1 . 1 12 12 LEU HD22 H 1 0.890 0.001 . 2 . . . . A 12 LEU HD22 . 31118 1 103 . 1 . 1 12 12 LEU HD23 H 1 0.890 0.001 . 2 . . . . A 12 LEU HD23 . 31118 1 104 . 1 . 1 13 13 LYS H H 1 8.123 0.002 . 1 . . . . A 13 LYS H . 31118 1 105 . 1 . 1 13 13 LYS HA H 1 5.150 0.002 . 1 . . . . A 13 LYS HA . 31118 1 106 . 1 . 1 13 13 LYS HB2 H 1 1.893 0.001 . 2 . . . . A 13 LYS HB2 . 31118 1 107 . 1 . 1 13 13 LYS HB3 H 1 1.732 0.008 . 2 . . . . A 13 LYS HB3 . 31118 1 108 . 1 . 1 13 13 LYS HG2 H 1 1.460 0.000 . 2 . . . . A 13 LYS HG2 . 31118 1 109 . 1 . 1 13 13 LYS HG3 H 1 1.407 0.000 . 2 . . . . A 13 LYS HG3 . 31118 1 110 . 1 . 1 13 13 LYS HD2 H 1 1.682 0.000 . 1 . . . . A 13 LYS HD2 . 31118 1 111 . 1 . 1 13 13 LYS HD3 H 1 1.682 0.000 . 1 . . . . A 13 LYS HD3 . 31118 1 112 . 1 . 1 13 13 LYS HE2 H 1 3.021 0.001 . 2 . . . . A 13 LYS HE2 . 31118 1 113 . 1 . 1 13 13 LYS HE3 H 1 2.932 0.004 . 2 . . . . A 13 LYS HE3 . 31118 1 114 . 1 . 1 14 14 GLY H H 1 8.475 0.000 . 1 . . . . A 14 GLY H . 31118 1 115 . 1 . 1 14 14 GLY HA2 H 1 4.224 0.000 . 1 . . . . A 14 GLY HA2 . 31118 1 116 . 1 . 1 14 14 GLY HA3 H 1 4.224 0.000 . 1 . . . . A 14 GLY HA3 . 31118 1 117 . 1 . 1 15 15 GLU H H 1 8.404 0.001 . 1 . . . . A 15 GLU H . 31118 1 118 . 1 . 1 15 15 GLU HA H 1 5.599 0.002 . 1 . . . . A 15 GLU HA . 31118 1 119 . 1 . 1 15 15 GLU HB2 H 1 2.018 0.003 . 2 . . . . A 15 GLU HB2 . 31118 1 120 . 1 . 1 15 15 GLU HB3 H 1 1.931 0.002 . 2 . . . . A 15 GLU HB3 . 31118 1 121 . 1 . 1 15 15 GLU HG2 H 1 2.147 0.000 . 1 . . . . A 15 GLU HG2 . 31118 1 122 . 1 . 1 15 15 GLU HG3 H 1 2.147 0.000 . 1 . . . . A 15 GLU HG3 . 31118 1 123 . 1 . 1 16 16 THR H H 1 8.788 0.002 . 1 . . . . A 16 THR H . 31118 1 124 . 1 . 1 16 16 THR HA H 1 4.751 0.000 . 1 . . . . A 16 THR HA . 31118 1 125 . 1 . 1 16 16 THR HB H 1 3.938 0.002 . 1 . . . . A 16 THR HB . 31118 1 126 . 1 . 1 16 16 THR HG21 H 1 0.511 0.001 . 1 . . . . A 16 THR HG21 . 31118 1 127 . 1 . 1 16 16 THR HG22 H 1 0.511 0.001 . 1 . . . . A 16 THR HG22 . 31118 1 128 . 1 . 1 16 16 THR HG23 H 1 0.511 0.001 . 1 . . . . A 16 THR HG23 . 31118 1 129 . 1 . 1 17 17 THR H H 1 8.107 0.001 . 1 . . . . A 17 THR H . 31118 1 130 . 1 . 1 17 17 THR HA H 1 5.824 0.001 . 1 . . . . A 17 THR HA . 31118 1 131 . 1 . 1 17 17 THR HB H 1 4.313 0.000 . 1 . . . . A 17 THR HB . 31118 1 132 . 1 . 1 17 17 THR HG21 H 1 1.197 0.002 . 1 . . . . A 17 THR HG21 . 31118 1 133 . 1 . 1 17 17 THR HG22 H 1 1.197 0.002 . 1 . . . . A 17 THR HG22 . 31118 1 134 . 1 . 1 17 17 THR HG23 H 1 1.197 0.002 . 1 . . . . A 17 THR HG23 . 31118 1 135 . 1 . 1 18 18 THR H H 1 8.985 0.001 . 1 . . . . A 18 THR H . 31118 1 136 . 1 . 1 18 18 THR HA H 1 4.669 0.001 . 1 . . . . A 18 THR HA . 31118 1 137 . 1 . 1 18 18 THR HB H 1 3.841 0.001 . 1 . . . . A 18 THR HB . 31118 1 138 . 1 . 1 18 18 THR HG21 H 1 0.477 0.001 . 1 . . . . A 18 THR HG21 . 31118 1 139 . 1 . 1 18 18 THR HG22 H 1 0.477 0.001 . 1 . . . . A 18 THR HG22 . 31118 1 140 . 1 . 1 18 18 THR HG23 H 1 0.477 0.001 . 1 . . . . A 18 THR HG23 . 31118 1 141 . 1 . 1 19 19 GLU H H 1 7.954 0.001 . 1 . . . . A 19 GLU H . 31118 1 142 . 1 . 1 19 19 GLU HA H 1 5.182 0.001 . 1 . . . . A 19 GLU HA . 31118 1 143 . 1 . 1 19 19 GLU HB2 H 1 1.944 0.002 . 1 . . . . A 19 GLU HB2 . 31118 1 144 . 1 . 1 19 19 GLU HB3 H 1 1.944 0.002 . 1 . . . . A 19 GLU HB3 . 31118 1 145 . 1 . 1 19 19 GLU HG2 H 1 2.292 0.005 . 2 . . . . A 19 GLU HG2 . 31118 1 146 . 1 . 1 19 19 GLU HG3 H 1 2.059 0.001 . 2 . . . . A 19 GLU HG3 . 31118 1 147 . 1 . 1 20 20 ALA H H 1 9.347 0.001 . 1 . . . . A 20 ALA H . 31118 1 148 . 1 . 1 20 20 ALA HA H 1 4.942 0.001 . 1 . . . . A 20 ALA HA . 31118 1 149 . 1 . 1 20 20 ALA HB1 H 1 1.343 0.002 . 1 . . . . A 20 ALA HB1 . 31118 1 150 . 1 . 1 20 20 ALA HB2 H 1 1.343 0.002 . 1 . . . . A 20 ALA HB2 . 31118 1 151 . 1 . 1 20 20 ALA HB3 H 1 1.343 0.002 . 1 . . . . A 20 ALA HB3 . 31118 1 152 . 1 . 1 21 21 VAL H H 1 8.495 0.000 . 1 . . . . A 21 VAL H . 31118 1 153 . 1 . 1 21 21 VAL HA H 1 4.120 0.001 . 1 . . . . A 21 VAL HA . 31118 1 154 . 1 . 1 21 21 VAL HB H 1 2.200 0.001 . 1 . . . . A 21 VAL HB . 31118 1 155 . 1 . 1 21 21 VAL HG11 H 1 1.009 0.001 . 1 . . . . A 21 VAL HG11 . 31118 1 156 . 1 . 1 21 21 VAL HG12 H 1 1.009 0.001 . 1 . . . . A 21 VAL HG12 . 31118 1 157 . 1 . 1 21 21 VAL HG13 H 1 1.009 0.001 . 1 . . . . A 21 VAL HG13 . 31118 1 158 . 1 . 1 21 21 VAL HG21 H 1 1.009 0.001 . 1 . . . . A 21 VAL HG21 . 31118 1 159 . 1 . 1 21 21 VAL HG22 H 1 1.009 0.001 . 1 . . . . A 21 VAL HG22 . 31118 1 160 . 1 . 1 21 21 VAL HG23 H 1 1.009 0.001 . 1 . . . . A 21 VAL HG23 . 31118 1 161 . 1 . 1 22 22 ASP H H 1 7.343 0.000 . 1 . . . . A 22 ASP H . 31118 1 162 . 1 . 1 22 22 ASP HA H 1 4.762 0.002 . 1 . . . . A 22 ASP HA . 31118 1 163 . 1 . 1 22 22 ASP HB2 H 1 3.038 0.001 . 2 . . . . A 22 ASP HB2 . 31118 1 164 . 1 . 1 22 22 ASP HB3 H 1 2.990 0.002 . 2 . . . . A 22 ASP HB3 . 31118 1 165 . 1 . 1 23 23 ALA H H 1 8.291 0.000 . 1 . . . . A 23 ALA H . 31118 1 166 . 1 . 1 23 23 ALA HA H 1 3.319 0.001 . 1 . . . . A 23 ALA HA . 31118 1 167 . 1 . 1 23 23 ALA HB1 H 1 1.180 0.001 . 1 . . . . A 23 ALA HB1 . 31118 1 168 . 1 . 1 23 23 ALA HB2 H 1 1.180 0.001 . 1 . . . . A 23 ALA HB2 . 31118 1 169 . 1 . 1 23 23 ALA HB3 H 1 1.180 0.001 . 1 . . . . A 23 ALA HB3 . 31118 1 170 . 1 . 1 24 24 ALA H H 1 8.059 0.000 . 1 . . . . A 24 ALA H . 31118 1 171 . 1 . 1 24 24 ALA HA H 1 3.978 0.000 . 1 . . . . A 24 ALA HA . 31118 1 172 . 1 . 1 24 24 ALA HB1 H 1 1.298 0.001 . 1 . . . . A 24 ALA HB1 . 31118 1 173 . 1 . 1 24 24 ALA HB2 H 1 1.298 0.001 . 1 . . . . A 24 ALA HB2 . 31118 1 174 . 1 . 1 24 24 ALA HB3 H 1 1.298 0.001 . 1 . . . . A 24 ALA HB3 . 31118 1 175 . 1 . 1 25 25 THR H H 1 8.287 0.000 . 1 . . . . A 25 THR H . 31118 1 176 . 1 . 1 25 25 THR HA H 1 3.710 0.003 . 1 . . . . A 25 THR HA . 31118 1 177 . 1 . 1 25 25 THR HB H 1 4.029 0.001 . 1 . . . . A 25 THR HB . 31118 1 178 . 1 . 1 25 25 THR HG21 H 1 1.232 0.002 . 1 . . . . A 25 THR HG21 . 31118 1 179 . 1 . 1 25 25 THR HG22 H 1 1.232 0.002 . 1 . . . . A 25 THR HG22 . 31118 1 180 . 1 . 1 25 25 THR HG23 H 1 1.232 0.002 . 1 . . . . A 25 THR HG23 . 31118 1 181 . 1 . 1 26 26 ALA H H 1 7.173 0.002 . 1 . . . . A 26 ALA H . 31118 1 182 . 1 . 1 26 26 ALA HA H 1 3.102 0.001 . 1 . . . . A 26 ALA HA . 31118 1 183 . 1 . 1 26 26 ALA HB1 H 1 0.542 0.000 . 1 . . . . A 26 ALA HB1 . 31118 1 184 . 1 . 1 26 26 ALA HB2 H 1 0.542 0.000 . 1 . . . . A 26 ALA HB2 . 31118 1 185 . 1 . 1 26 26 ALA HB3 H 1 0.542 0.000 . 1 . . . . A 26 ALA HB3 . 31118 1 186 . 1 . 1 27 27 GLU H H 1 8.357 0.000 . 1 . . . . A 27 GLU H . 31118 1 187 . 1 . 1 27 27 GLU HA H 1 2.679 0.000 . 1 . . . . A 27 GLU HA . 31118 1 188 . 1 . 1 27 27 GLU HB2 H 1 1.969 0.000 . 2 . . . . A 27 GLU HB2 . 31118 1 189 . 1 . 1 27 27 GLU HB3 H 1 1.848 0.001 . 2 . . . . A 27 GLU HB3 . 31118 1 190 . 1 . 1 27 27 GLU HG2 H 1 1.638 0.000 . 1 . . . . A 27 GLU HG2 . 31118 1 191 . 1 . 1 27 27 GLU HG3 H 1 1.638 0.000 . 1 . . . . A 27 GLU HG3 . 31118 1 192 . 1 . 1 28 28 LYS H H 1 6.950 0.000 . 1 . . . . A 28 LYS H . 31118 1 193 . 1 . 1 28 28 LYS HA H 1 3.743 0.002 . 1 . . . . A 28 LYS HA . 31118 1 194 . 1 . 1 28 28 LYS HB2 H 1 1.833 0.002 . 1 . . . . A 28 LYS HB2 . 31118 1 195 . 1 . 1 28 28 LYS HB3 H 1 1.833 0.002 . 1 . . . . A 28 LYS HB3 . 31118 1 196 . 1 . 1 28 28 LYS HG2 H 1 1.528 0.000 . 2 . . . . A 28 LYS HG2 . 31118 1 197 . 1 . 1 28 28 LYS HG3 H 1 1.337 0.001 . 2 . . . . A 28 LYS HG3 . 31118 1 198 . 1 . 1 28 28 LYS HD2 H 1 1.611 0.001 . 1 . . . . A 28 LYS HD2 . 31118 1 199 . 1 . 1 28 28 LYS HD3 H 1 1.611 0.001 . 1 . . . . A 28 LYS HD3 . 31118 1 200 . 1 . 1 28 28 LYS HE2 H 1 2.897 0.001 . 1 . . . . A 28 LYS HE2 . 31118 1 201 . 1 . 1 28 28 LYS HE3 H 1 2.897 0.001 . 1 . . . . A 28 LYS HE3 . 31118 1 202 . 1 . 1 29 29 VAL H H 1 7.316 0.000 . 1 . . . . A 29 VAL H . 31118 1 203 . 1 . 1 29 29 VAL HA H 1 3.616 0.001 . 1 . . . . A 29 VAL HA . 31118 1 204 . 1 . 1 29 29 VAL HB H 1 1.758 0.001 . 1 . . . . A 29 VAL HB . 31118 1 205 . 1 . 1 29 29 VAL HG11 H 1 0.795 0.000 . 2 . . . . A 29 VAL HG11 . 31118 1 206 . 1 . 1 29 29 VAL HG12 H 1 0.795 0.000 . 2 . . . . A 29 VAL HG12 . 31118 1 207 . 1 . 1 29 29 VAL HG13 H 1 0.795 0.000 . 2 . . . . A 29 VAL HG13 . 31118 1 208 . 1 . 1 29 29 VAL HG21 H 1 0.908 0.001 . 2 . . . . A 29 VAL HG21 . 31118 1 209 . 1 . 1 29 29 VAL HG22 H 1 0.908 0.001 . 2 . . . . A 29 VAL HG22 . 31118 1 210 . 1 . 1 29 29 VAL HG23 H 1 0.908 0.001 . 2 . . . . A 29 VAL HG23 . 31118 1 211 . 1 . 1 30 30 PHE H H 1 8.512 0.002 . 1 . . . . A 30 PHE H . 31118 1 212 . 1 . 1 30 30 PHE HA H 1 4.769 0.000 . 1 . . . . A 30 PHE HA . 31118 1 213 . 1 . 1 30 30 PHE HB2 H 1 3.357 0.002 . 2 . . . . A 30 PHE HB2 . 31118 1 214 . 1 . 1 30 30 PHE HB3 H 1 2.869 0.001 . 2 . . . . A 30 PHE HB3 . 31118 1 215 . 1 . 1 30 30 PHE HD1 H 1 6.551 0.000 . 3 . . . . A 30 PHE HD1 . 31118 1 216 . 1 . 1 30 30 PHE HD2 H 1 6.579 0.001 . 3 . . . . A 30 PHE HD2 . 31118 1 217 . 1 . 1 30 30 PHE HE1 H 1 7.083 0.003 . 1 . . . . A 30 PHE HE1 . 31118 1 218 . 1 . 1 30 30 PHE HE2 H 1 7.083 0.003 . 1 . . . . A 30 PHE HE2 . 31118 1 219 . 1 . 1 30 30 PHE HZ H 1 7.197 0.001 . 1 . . . . A 30 PHE HZ . 31118 1 220 . 1 . 1 31 31 LYS H H 1 9.116 0.000 . 1 . . . . A 31 LYS H . 31118 1 221 . 1 . 1 31 31 LYS HA H 1 4.107 0.001 . 1 . . . . A 31 LYS HA . 31118 1 222 . 1 . 1 31 31 LYS HB2 H 1 1.591 0.002 . 2 . . . . A 31 LYS HB2 . 31118 1 223 . 1 . 1 31 31 LYS HB3 H 1 1.563 0.001 . 2 . . . . A 31 LYS HB3 . 31118 1 224 . 1 . 1 31 31 LYS HG2 H 1 0.860 0.000 . 2 . . . . A 31 LYS HG2 . 31118 1 225 . 1 . 1 31 31 LYS HG3 H 1 0.518 0.002 . 2 . . . . A 31 LYS HG3 . 31118 1 226 . 1 . 1 31 31 LYS HD2 H 1 1.175 0.005 . 2 . . . . A 31 LYS HD2 . 31118 1 227 . 1 . 1 31 31 LYS HD3 H 1 1.021 0.004 . 2 . . . . A 31 LYS HD3 . 31118 1 228 . 1 . 1 31 31 LYS HE2 H 1 2.090 0.003 . 2 . . . . A 31 LYS HE2 . 31118 1 229 . 1 . 1 31 31 LYS HE3 H 1 1.731 0.003 . 2 . . . . A 31 LYS HE3 . 31118 1 230 . 1 . 1 32 32 GLN H H 1 7.391 0.000 . 1 . . . . A 32 GLN H . 31118 1 231 . 1 . 1 32 32 GLN HA H 1 4.005 0.001 . 1 . . . . A 32 GLN HA . 31118 1 232 . 1 . 1 32 32 GLN HB2 H 1 2.221 0.000 . 2 . . . . A 32 GLN HB2 . 31118 1 233 . 1 . 1 32 32 GLN HB3 H 1 2.189 0.000 . 2 . . . . A 32 GLN HB3 . 31118 1 234 . 1 . 1 32 32 GLN HG2 H 1 2.446 0.006 . 2 . . . . A 32 GLN HG2 . 31118 1 235 . 1 . 1 32 32 GLN HG3 H 1 2.402 0.003 . 2 . . . . A 32 GLN HG3 . 31118 1 236 . 1 . 1 32 32 GLN HE21 H 1 6.868 0.000 . 2 . . . . A 32 GLN HE21 . 31118 1 237 . 1 . 1 32 32 GLN HE22 H 1 7.941 0.000 . 2 . . . . A 32 GLN HE22 . 31118 1 238 . 1 . 1 33 33 TYR H H 1 8.093 0.000 . 1 . . . . A 33 TYR H . 31118 1 239 . 1 . 1 33 33 TYR HA H 1 4.263 0.001 . 1 . . . . A 33 TYR HA . 31118 1 240 . 1 . 1 33 33 TYR HB2 H 1 3.300 0.001 . 1 . . . . A 33 TYR HB2 . 31118 1 241 . 1 . 1 33 33 TYR HB3 H 1 3.300 0.001 . 1 . . . . A 33 TYR HB3 . 31118 1 242 . 1 . 1 33 33 TYR HD1 H 1 6.988 0.000 . 1 . . . . A 33 TYR HD1 . 31118 1 243 . 1 . 1 33 33 TYR HD2 H 1 6.988 0.000 . 1 . . . . A 33 TYR HD2 . 31118 1 244 . 1 . 1 33 33 TYR HE1 H 1 6.725 0.000 . 1 . . . . A 33 TYR HE1 . 31118 1 245 . 1 . 1 33 33 TYR HE2 H 1 6.725 0.000 . 1 . . . . A 33 TYR HE2 . 31118 1 246 . 1 . 1 34 34 ALA H H 1 9.181 0.000 . 1 . . . . A 34 ALA H . 31118 1 247 . 1 . 1 34 34 ALA HA H 1 3.721 0.000 . 1 . . . . A 34 ALA HA . 31118 1 248 . 1 . 1 34 34 ALA HB1 H 1 1.731 0.000 . 1 . . . . A 34 ALA HB1 . 31118 1 249 . 1 . 1 34 34 ALA HB2 H 1 1.731 0.000 . 1 . . . . A 34 ALA HB2 . 31118 1 250 . 1 . 1 34 34 ALA HB3 H 1 1.731 0.000 . 1 . . . . A 34 ALA HB3 . 31118 1 251 . 1 . 1 35 35 ASN H H 1 8.624 0.001 . 1 . . . . A 35 ASN H . 31118 1 252 . 1 . 1 35 35 ASN HA H 1 4.580 0.001 . 1 . . . . A 35 ASN HA . 31118 1 253 . 1 . 1 35 35 ASN HB2 H 1 2.931 0.001 . 2 . . . . A 35 ASN HB2 . 31118 1 254 . 1 . 1 35 35 ASN HB3 H 1 2.909 0.000 . 2 . . . . A 35 ASN HB3 . 31118 1 255 . 1 . 1 35 35 ASN HD21 H 1 6.778 0.000 . 2 . . . . A 35 ASN HD21 . 31118 1 256 . 1 . 1 35 35 ASN HD22 H 1 8.082 0.000 . 2 . . . . A 35 ASN HD22 . 31118 1 257 . 1 . 1 36 36 ASP H H 1 8.948 0.000 . 1 . . . . A 36 ASP H . 31118 1 258 . 1 . 1 36 36 ASP HA H 1 4.400 0.001 . 1 . . . . A 36 ASP HA . 31118 1 259 . 1 . 1 36 36 ASP HB2 H 1 2.774 0.002 . 2 . . . . A 36 ASP HB2 . 31118 1 260 . 1 . 1 36 36 ASP HB3 H 1 2.574 0.002 . 2 . . . . A 36 ASP HB3 . 31118 1 261 . 1 . 1 37 37 ASN H H 1 7.421 0.000 . 1 . . . . A 37 ASN H . 31118 1 262 . 1 . 1 37 37 ASN HA H 1 4.649 0.002 . 1 . . . . A 37 ASN HA . 31118 1 263 . 1 . 1 37 37 ASN HB2 H 1 2.784 0.001 . 2 . . . . A 37 ASN HB2 . 31118 1 264 . 1 . 1 37 37 ASN HB3 H 1 2.146 0.000 . 2 . . . . A 37 ASN HB3 . 31118 1 265 . 1 . 1 37 37 ASN HD21 H 1 6.368 0.000 . 2 . . . . A 37 ASN HD21 . 31118 1 266 . 1 . 1 37 37 ASN HD22 H 1 6.800 0.000 . 2 . . . . A 37 ASN HD22 . 31118 1 267 . 1 . 1 38 38 GLY H H 1 7.749 0.001 . 1 . . . . A 38 GLY H . 31118 1 268 . 1 . 1 38 38 GLY HA2 H 1 4.037 0.001 . 2 . . . . A 38 GLY HA2 . 31118 1 269 . 1 . 1 38 38 GLY HA3 H 1 3.858 0.000 . 2 . . . . A 38 GLY HA3 . 31118 1 270 . 1 . 1 39 39 VAL H H 1 8.194 0.000 . 1 . . . . A 39 VAL H . 31118 1 271 . 1 . 1 39 39 VAL HA H 1 4.128 0.002 . 1 . . . . A 39 VAL HA . 31118 1 272 . 1 . 1 39 39 VAL HB H 1 1.720 0.003 . 1 . . . . A 39 VAL HB . 31118 1 273 . 1 . 1 39 39 VAL HG11 H 1 0.817 0.001 . 2 . . . . A 39 VAL HG11 . 31118 1 274 . 1 . 1 39 39 VAL HG12 H 1 0.817 0.001 . 2 . . . . A 39 VAL HG12 . 31118 1 275 . 1 . 1 39 39 VAL HG13 H 1 0.817 0.001 . 2 . . . . A 39 VAL HG13 . 31118 1 276 . 1 . 1 39 39 VAL HG21 H 1 0.856 0.001 . 2 . . . . A 39 VAL HG21 . 31118 1 277 . 1 . 1 39 39 VAL HG22 H 1 0.856 0.001 . 2 . . . . A 39 VAL HG22 . 31118 1 278 . 1 . 1 39 39 VAL HG23 H 1 0.856 0.001 . 2 . . . . A 39 VAL HG23 . 31118 1 279 . 1 . 1 40 40 IAS H H 1 8.678 0.001 . 1 . . . . A 40 IAS H . 31118 1 280 . 1 . 1 40 40 IAS HA H 1 4.132 0.001 . 1 . . . . A 40 IAS HA . 31118 1 281 . 1 . 1 40 40 IAS HB2 H 1 3.145 0.003 . 2 . . . . A 40 IAS HB2 . 31118 1 282 . 1 . 1 40 40 IAS HB3 H 1 3.009 0.002 . 2 . . . . A 40 IAS HB3 . 31118 1 283 . 1 . 1 41 41 GLY H H 1 8.989 0.001 . 1 . . . . A 41 GLY H . 31118 1 284 . 1 . 1 41 41 GLY HA2 H 1 4.574 0.002 . 2 . . . . A 41 GLY HA2 . 31118 1 285 . 1 . 1 41 41 GLY HA3 H 1 3.242 0.000 . 2 . . . . A 41 GLY HA3 . 31118 1 286 . 1 . 1 42 42 GLU H H 1 8.483 0.001 . 1 . . . . A 42 GLU H . 31118 1 287 . 1 . 1 42 42 GLU HA H 1 4.798 0.003 . 1 . . . . A 42 GLU HA . 31118 1 288 . 1 . 1 42 42 GLU HB2 H 1 2.058 0.001 . 2 . . . . A 42 GLU HB2 . 31118 1 289 . 1 . 1 42 42 GLU HB3 H 1 1.961 0.002 . 2 . . . . A 42 GLU HB3 . 31118 1 290 . 1 . 1 42 42 GLU HG2 H 1 2.324 0.002 . 2 . . . . A 42 GLU HG2 . 31118 1 291 . 1 . 1 42 42 GLU HG3 H 1 2.216 0.001 . 2 . . . . A 42 GLU HG3 . 31118 1 292 . 1 . 1 43 43 TRP H H 1 9.346 0.001 . 1 . . . . A 43 TRP H . 31118 1 293 . 1 . 1 43 43 TRP HA H 1 5.258 0.000 . 1 . . . . A 43 TRP HA . 31118 1 294 . 1 . 1 43 43 TRP HB2 H 1 3.360 0.000 . 2 . . . . A 43 TRP HB2 . 31118 1 295 . 1 . 1 43 43 TRP HB3 H 1 3.150 0.000 . 2 . . . . A 43 TRP HB3 . 31118 1 296 . 1 . 1 43 43 TRP HD1 H 1 7.414 0.000 . 1 . . . . A 43 TRP HD1 . 31118 1 297 . 1 . 1 43 43 TRP HE1 H 1 11.310 0.000 . 1 . . . . A 43 TRP HE1 . 31118 1 298 . 1 . 1 43 43 TRP HE3 H 1 7.624 0.001 . 1 . . . . A 43 TRP HE3 . 31118 1 299 . 1 . 1 43 43 TRP HZ2 H 1 7.305 0.002 . 1 . . . . A 43 TRP HZ2 . 31118 1 300 . 1 . 1 43 43 TRP HZ3 H 1 6.596 0.000 . 1 . . . . A 43 TRP HZ3 . 31118 1 301 . 1 . 1 43 43 TRP HH2 H 1 6.714 0.002 . 1 . . . . A 43 TRP HH2 . 31118 1 302 . 1 . 1 44 44 THR H H 1 9.282 0.001 . 1 . . . . A 44 THR H . 31118 1 303 . 1 . 1 44 44 THR HA H 1 4.827 0.001 . 1 . . . . A 44 THR HA . 31118 1 304 . 1 . 1 44 44 THR HB H 1 4.234 0.000 . 1 . . . . A 44 THR HB . 31118 1 305 . 1 . 1 44 44 THR HG21 H 1 1.204 0.001 . 1 . . . . A 44 THR HG21 . 31118 1 306 . 1 . 1 44 44 THR HG22 H 1 1.204 0.001 . 1 . . . . A 44 THR HG22 . 31118 1 307 . 1 . 1 44 44 THR HG23 H 1 1.204 0.001 . 1 . . . . A 44 THR HG23 . 31118 1 308 . 1 . 1 45 45 TYR H H 1 8.576 0.000 . 1 . . . . A 45 TYR H . 31118 1 309 . 1 . 1 45 45 TYR HA H 1 4.974 0.000 . 1 . . . . A 45 TYR HA . 31118 1 310 . 1 . 1 45 45 TYR HB2 H 1 2.909 0.001 . 2 . . . . A 45 TYR HB2 . 31118 1 311 . 1 . 1 45 45 TYR HB3 H 1 2.517 0.002 . 2 . . . . A 45 TYR HB3 . 31118 1 312 . 1 . 1 45 45 TYR HD1 H 1 7.157 0.000 . 1 . . . . A 45 TYR HD1 . 31118 1 313 . 1 . 1 45 45 TYR HD2 H 1 7.157 0.000 . 1 . . . . A 45 TYR HD2 . 31118 1 314 . 1 . 1 45 45 TYR HE1 H 1 6.363 0.000 . 1 . . . . A 45 TYR HE1 . 31118 1 315 . 1 . 1 45 45 TYR HE2 H 1 6.363 0.000 . 1 . . . . A 45 TYR HE2 . 31118 1 316 . 1 . 1 46 46 ASP H H 1 7.602 0.001 . 1 . . . . A 46 ASP H . 31118 1 317 . 1 . 1 46 46 ASP HA H 1 4.596 0.000 . 1 . . . . A 46 ASP HA . 31118 1 318 . 1 . 1 46 46 ASP HB2 H 1 2.618 0.001 . 2 . . . . A 46 ASP HB2 . 31118 1 319 . 1 . 1 46 46 ASP HB3 H 1 2.272 0.002 . 2 . . . . A 46 ASP HB3 . 31118 1 320 . 1 . 1 47 47 ASP H H 1 8.595 0.002 . 1 . . . . A 47 ASP H . 31118 1 321 . 1 . 1 47 47 ASP HA H 1 4.165 0.002 . 1 . . . . A 47 ASP HA . 31118 1 322 . 1 . 1 47 47 ASP HB2 H 1 2.845 0.000 . 2 . . . . A 47 ASP HB2 . 31118 1 323 . 1 . 1 47 47 ASP HB3 H 1 2.532 0.002 . 2 . . . . A 47 ASP HB3 . 31118 1 324 . 1 . 1 48 48 ALA H H 1 8.354 0.000 . 1 . . . . A 48 ALA H . 31118 1 325 . 1 . 1 48 48 ALA HA H 1 4.124 0.000 . 1 . . . . A 48 ALA HA . 31118 1 326 . 1 . 1 48 48 ALA HB1 H 1 1.514 0.000 . 1 . . . . A 48 ALA HB1 . 31118 1 327 . 1 . 1 48 48 ALA HB2 H 1 1.514 0.000 . 1 . . . . A 48 ALA HB2 . 31118 1 328 . 1 . 1 48 48 ALA HB3 H 1 1.514 0.000 . 1 . . . . A 48 ALA HB3 . 31118 1 329 . 1 . 1 49 49 THR H H 1 7.020 0.000 . 1 . . . . A 49 THR H . 31118 1 330 . 1 . 1 49 49 THR HA H 1 4.410 0.000 . 1 . . . . A 49 THR HA . 31118 1 331 . 1 . 1 49 49 THR HB H 1 4.412 0.000 . 1 . . . . A 49 THR HB . 31118 1 332 . 1 . 1 49 49 THR HG21 H 1 1.087 0.000 . 1 . . . . A 49 THR HG21 . 31118 1 333 . 1 . 1 49 49 THR HG22 H 1 1.087 0.000 . 1 . . . . A 49 THR HG22 . 31118 1 334 . 1 . 1 49 49 THR HG23 H 1 1.087 0.000 . 1 . . . . A 49 THR HG23 . 31118 1 335 . 1 . 1 50 50 LYS H H 1 7.876 0.002 . 1 . . . . A 50 LYS H . 31118 1 336 . 1 . 1 50 50 LYS HA H 1 4.215 0.002 . 1 . . . . A 50 LYS HA . 31118 1 337 . 1 . 1 50 50 LYS HB2 H 1 2.087 0.004 . 2 . . . . A 50 LYS HB2 . 31118 1 338 . 1 . 1 50 50 LYS HB3 H 1 2.016 0.005 . 2 . . . . A 50 LYS HB3 . 31118 1 339 . 1 . 1 50 50 LYS HG2 H 1 1.395 0.000 . 2 . . . . A 50 LYS HG2 . 31118 1 340 . 1 . 1 50 50 LYS HG3 H 1 1.234 0.002 . 2 . . . . A 50 LYS HG3 . 31118 1 341 . 1 . 1 50 50 LYS HD2 H 1 1.708 0.002 . 2 . . . . A 50 LYS HD2 . 31118 1 342 . 1 . 1 50 50 LYS HD3 H 1 1.415 0.003 . 2 . . . . A 50 LYS HD3 . 31118 1 343 . 1 . 1 50 50 LYS HE2 H 1 3.099 0.002 . 2 . . . . A 50 LYS HE2 . 31118 1 344 . 1 . 1 50 50 LYS HE3 H 1 2.975 0.003 . 2 . . . . A 50 LYS HE3 . 31118 1 345 . 1 . 1 51 51 THR H H 1 7.394 0.000 . 1 . . . . A 51 THR H . 31118 1 346 . 1 . 1 51 51 THR HA H 1 5.518 0.001 . 1 . . . . A 51 THR HA . 31118 1 347 . 1 . 1 51 51 THR HB H 1 3.778 0.001 . 1 . . . . A 51 THR HB . 31118 1 348 . 1 . 1 51 51 THR HG21 H 1 1.000 0.001 . 1 . . . . A 51 THR HG21 . 31118 1 349 . 1 . 1 51 51 THR HG22 H 1 1.000 0.001 . 1 . . . . A 51 THR HG22 . 31118 1 350 . 1 . 1 51 51 THR HG23 H 1 1.000 0.001 . 1 . . . . A 51 THR HG23 . 31118 1 351 . 1 . 1 52 52 PHE H H 1 10.372 0.002 . 1 . . . . A 52 PHE H . 31118 1 352 . 1 . 1 52 52 PHE HA H 1 5.657 0.002 . 1 . . . . A 52 PHE HA . 31118 1 353 . 1 . 1 52 52 PHE HB2 H 1 3.272 0.001 . 2 . . . . A 52 PHE HB2 . 31118 1 354 . 1 . 1 52 52 PHE HB3 H 1 3.196 0.001 . 2 . . . . A 52 PHE HB3 . 31118 1 355 . 1 . 1 52 52 PHE HD1 H 1 7.825 0.000 . 1 . . . . A 52 PHE HD1 . 31118 1 356 . 1 . 1 52 52 PHE HD2 H 1 7.825 0.000 . 1 . . . . A 52 PHE HD2 . 31118 1 357 . 1 . 1 52 52 PHE HE1 H 1 7.163 0.000 . 1 . . . . A 52 PHE HE1 . 31118 1 358 . 1 . 1 52 52 PHE HE2 H 1 7.163 0.000 . 1 . . . . A 52 PHE HE2 . 31118 1 359 . 1 . 1 52 52 PHE HZ H 1 7.005 0.001 . 1 . . . . A 52 PHE HZ . 31118 1 360 . 1 . 1 53 53 THR H H 1 9.100 0.000 . 1 . . . . A 53 THR H . 31118 1 361 . 1 . 1 53 53 THR HA H 1 5.194 0.002 . 1 . . . . A 53 THR HA . 31118 1 362 . 1 . 1 53 53 THR HB H 1 3.831 0.000 . 1 . . . . A 53 THR HB . 31118 1 363 . 1 . 1 53 53 THR HG21 H 1 0.983 0.001 . 1 . . . . A 53 THR HG21 . 31118 1 364 . 1 . 1 53 53 THR HG22 H 1 0.983 0.001 . 1 . . . . A 53 THR HG22 . 31118 1 365 . 1 . 1 53 53 THR HG23 H 1 0.983 0.001 . 1 . . . . A 53 THR HG23 . 31118 1 366 . 1 . 1 54 54 VAL H H 1 8.300 0.001 . 1 . . . . A 54 VAL H . 31118 1 367 . 1 . 1 54 54 VAL HA H 1 4.599 0.001 . 1 . . . . A 54 VAL HA . 31118 1 368 . 1 . 1 54 54 VAL HB H 1 -0.144 0.002 . 1 . . . . A 54 VAL HB . 31118 1 369 . 1 . 1 54 54 VAL HG11 H 1 -0.258 0.002 . 2 . . . . A 54 VAL HG11 . 31118 1 370 . 1 . 1 54 54 VAL HG12 H 1 -0.258 0.002 . 2 . . . . A 54 VAL HG12 . 31118 1 371 . 1 . 1 54 54 VAL HG13 H 1 -0.258 0.002 . 2 . . . . A 54 VAL HG13 . 31118 1 372 . 1 . 1 54 54 VAL HG21 H 1 0.406 0.001 . 2 . . . . A 54 VAL HG21 . 31118 1 373 . 1 . 1 54 54 VAL HG22 H 1 0.406 0.001 . 2 . . . . A 54 VAL HG22 . 31118 1 374 . 1 . 1 54 54 VAL HG23 H 1 0.406 0.001 . 2 . . . . A 54 VAL HG23 . 31118 1 375 . 1 . 1 55 55 THR H H 1 8.381 0.001 . 1 . . . . A 55 THR H . 31118 1 376 . 1 . 1 55 55 THR HA H 1 4.739 0.002 . 1 . . . . A 55 THR HA . 31118 1 377 . 1 . 1 55 55 THR HB H 1 3.907 0.001 . 1 . . . . A 55 THR HB . 31118 1 378 . 1 . 1 55 55 THR HG21 H 1 1.261 0.001 . 1 . . . . A 55 THR HG21 . 31118 1 379 . 1 . 1 55 55 THR HG22 H 1 1.261 0.001 . 1 . . . . A 55 THR HG22 . 31118 1 380 . 1 . 1 55 55 THR HG23 H 1 1.261 0.001 . 1 . . . . A 55 THR HG23 . 31118 1 381 . 1 . 1 56 56 GLU H H 1 7.812 0.000 . 1 . . . . A 56 GLU H . 31118 1 382 . 1 . 1 56 56 GLU HA H 1 4.335 0.001 . 1 . . . . A 56 GLU HA . 31118 1 383 . 1 . 1 56 56 GLU HB2 H 1 2.206 0.000 . 2 . . . . A 56 GLU HB2 . 31118 1 384 . 1 . 1 56 56 GLU HB3 H 1 1.921 0.000 . 2 . . . . A 56 GLU HB3 . 31118 1 385 . 1 . 1 56 56 GLU HG2 H 1 2.259 0.000 . 1 . . . . A 56 GLU HG2 . 31118 1 386 . 1 . 1 56 56 GLU HG3 H 1 2.259 0.000 . 1 . . . . A 56 GLU HG3 . 31118 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 31118 _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 Fit Height ?-? 2.216 2.321 3.01e+08 ga 11273015 ?-? 2.100 2.211 2.72e+08 ga 8352461 ?-? 0.891 0.798 2.42e+08 ga 8423158 ?-? 1.409 1.593 2.33e+08 ga 7348769 ?-? 3.007 3.137 2.26e+08 ga 9080268 ?-? 1.731 1.889 2.18e+08 ga 6655327 ?-? 2.974 3.099 1.96e+08 ga 12772022 ?-? 3.857 4.029 1.93e+08 ga 6675172 ?-? 4.574 3.243 1.89e+08 ga 1 ?-? 2.782 2.856 1.88e+08 ga 8344975 ?-? 6.791 7.190 1.83e+08 ga 13114652 ?-? 6.780 8.082 1.77e+08 ga 11447761 ?-? 1.354 1.470 1.76e+08 ga 5354461 ?-? 2.146 2.782 1.75e+08 ga 1 ?-? 2.574 2.763 1.70e+08 ga 6208928 ?-? 3.152 3.357 1.67e+08 ga 1 ?-? 1.234 1.400 1.60e+08 ga 4891634 ?-? 6.870 7.940 1.57e+08 ga 12528374 ?-? 4.386 3.989 1.56e+08 ga 1 ?-? 2.272 2.619 1.56e+08 ga 1 ?-? 1.851 1.956 1.51e+08 ga 4603480 ?-? 2.212 2.415 1.50e+08 ga 4575325 ?-? 6.368 6.800 1.42e+08 ga 9673475 ?-? 7.008 7.159 1.42e+08 ga 7533797 ?-? 2.531 2.846 1.38e+08 ga 1 ?-? 2.061 2.283 1.37e+08 ga 5765567 ?-? 2.755 3.408 1.32e+08 ga 1 ?-? 7.085 7.194 1.23e+08 ga 4966790 ?-? -1.109 0.803 1.22e+08 ga 1 ?-? 2.516 2.912 1.22e+08 ga 4295032 ?-? 1.090 1.413 1.19e+08 ga 3620029 ?-? 1.021 1.163 1.17e+08 ga 3561634 ?-? 4.129 8.678 1.16e+08 ga 6673631 ?-? 2.133 2.357 1.14e+08 ga 3480878 ?-? 2.870 3.358 1.13e+08 ga 1 ?-? 6.727 6.984 1.10e+08 ga 8710688 ?-? 6.920 7.851 1.09e+08 ga 8507606 ?-? 1.339 1.524 1.06e+08 ga 3246835 ?-? 2.567 3.007 1.02e+08 ga 1 ?-? 1.014 0.865 9.63e+07 ga 2936548 ?-? 7.164 7.823 9.41e+07 ga 4687857 ?-? 1.409 0.747 9.38e+07 ga 3326195 ?-? 1.635 1.836 9.33e+07 ga 2845676 ?-? 4.947 9.111 9.32e+07 ga 3045884 ?-? 4.412 1.086 9.25e+07 ga 5753731 ?-? 1.935 2.140 9.22e+07 ga 3887534 ?-? 4.294 8.734 9.15e+07 ga 4293947 ?-? 4.466 8.123 9.13e+07 ga 4481761 ?-? 3.302 6.989 9.13e+07 ga 4349154 ?-? 4.599 8.381 8.81e+07 ga 4343953 ?-? 4.480 9.019 8.67e+07 ga 3770809 ?-? 0.542 7.170 8.46e+07 ga 4335770 ?-? 2.199 1.012 8.38e+07 ga 3561958 ?-? 1.409 0.799 8.04e+07 ga 3067807 ?-? 5.193 8.299 8.03e+07 ga 3637828 ?-? 1.983 0.809 7.99e+07 ga 2515832 ?-? 4.742 7.813 7.77e+07 ga 4279696 ?-? 1.301 3.980 7.71e+07 ga 3369132 ?-? 4.473 1.408 7.65e+07 ga 2673776 ?-? 5.257 9.282 7.64e+07 ga 3863305 ?-? 0.986 0.807 7.47e+07 ga 2277322 ?-? 1.427 1.712 7.46e+07 ga 2284383 ?-? 6.594 6.712 7.45e+07 ga 3248219 ?-? 5.597 8.787 7.37e+07 ga 4120657 ?-? 1.931 2.264 7.34e+07 ga 2586135 ?-? 4.224 8.404 7.29e+07 ga 3370858 ?-? 5.236 8.651 7.18e+07 ga 3186579 ?-? 5.375 9.098 7.15e+07 ga 2624635 ?-? 1.939 2.206 7.04e+07 ga 2146816 ?-? 4.987 9.117 7.04e+07 ga 2755949 ?-? 1.834 6.948 7.01e+07 ga 3402123 ?-? 1.719 0.817 7.00e+07 ga 2874473 ?-? 1.730 3.719 6.95e+07 ga 2518736 ?-? 0.863 0.572 6.84e+07 ga 2900321 ?-? 1.832 3.737 6.83e+07 ga 2152820 ?-? 5.182 9.348 6.78e+07 ga 3499207 ?-? 5.515 10.370 6.77e+07 ga 2800922 ?-? 1.355 1.605 6.75e+07 ga 2058960 ?-? 5.148 8.475 6.65e+07 ga 4020296 ?-? 1.724 0.855 6.63e+07 ga 2949235 ?-? 3.301 8.092 6.59e+07 ga 3854192 ?-? 4.971 7.602 6.35e+07 ga 2569534 ?-? 4.940 1.345 6.23e+07 ga 3107732 ?-? 0.983 3.829 6.18e+07 ga 2604237 ?-? 5.656 9.100 6.15e+07 ga 2256330 ?-? 0.862 0.470 6.14e+07 ga 2646975 ?-? 1.086 0.805 6.11e+07 ga 2044530 ?-? 1.396 0.888 6.08e+07 ga 3248133 ?-? 1.000 3.778 6.08e+07 ga 2505731 ?-? 1.182 3.318 6.06e+07 ga 1 ?-? 1.517 4.122 5.85e+07 ga 2265883 ?-? 6.927 7.147 5.82e+07 ga 1822289 ?-? 1.262 3.908 5.80e+07 ga 2454478 ?-? 0.858 0.514 5.70e+07 ga 1741554 ?-? 0.404 -0.257 5.65e+07 ga 3873387 ?-? 0.800 0.570 5.65e+07 ga 2156358 ?-? 1.731 7.304 5.62e+07 ga 3340926 ?-? 1.728 9.181 5.58e+07 ga 3358575 ?-? 1.299 8.059 5.57e+07 ga 3814644 ?-? 4.825 8.577 5.54e+07 ga 3007620 ?-? 3.102 0.542 5.53e+07 ga 2352034 ?-? 2.195 4.007 5.45e+07 ga 1677537 ?-? 0.794 0.477 5.39e+07 ga 2021125 ?-? 1.753 0.797 5.37e+07 ga 2536617 ?-? 0.742 0.570 5.32e+07 ga 2542226 ?-? 0.909 3.616 5.30e+07 ga 2351046 ?-? 0.478 3.838 5.27e+07 ga 2223351 ?-? 1.754 0.906 5.22e+07 ga 2239107 ?-? 1.513 8.354 5.21e+07 ga 3336227 ?-? 4.237 1.204 5.19e+07 ga 2486813 ?-? 5.824 8.984 5.10e+07 ga 2943687 ?-? 4.671 7.954 5.04e+07 ga 2662146 ?-? 1.307 0.748 5.01e+07 ga 2283983 ?-? 3.858 7.750 4.99e+07 ga 2081100 ?-? 1.755 7.315 4.96e+07 ga 2275198 ?-? 1.233 3.710 4.94e+07 ga 2314162 ?-? 1.736 2.096 4.90e+07 ga 1496084 ?-? 1.720 8.194 4.85e+07 ga 1856784 ?-? 4.264 3.301 4.84e+07 ga 1818921 ?-? 6.717 7.306 4.82e+07 ga 2187179 ?-? 1.972 8.360 4.82e+07 ga 2205239 ?-? 1.638 2.676 4.81e+07 ga 1 ?-? 0.998 0.776 4.79e+07 ga 1799679 ?-? 5.278 7.980 4.78e+07 ga 2356604 ?-? 1.473 1.904 4.77e+07 ga 1453419 ?-? 3.008 4.131 4.75e+07 ga 1750758 ?-? 3.243 8.481 4.73e+07 ga 1885298 ?-? 4.310 1.197 4.72e+07 ga 2881790 ?-? 4.758 2.989 4.68e+07 ga 1 ?-? 4.580 2.916 4.67e+07 ga 1749410 ?-? 3.990 7.979 4.66e+07 ga 2132678 ?-? 5.188 9.109 4.66e+07 ga 1683460 ?-? 1.832 4.058 4.65e+07 ga 1430372 ?-? 1.944 7.955 4.60e+07 ga 1849874 ?-? 2.917 8.622 4.52e+07 ga 2183531 ?-? 8.390 8.480 4.52e+07 ga 1377461 ?-? 0.513 3.936 4.41e+07 ga 2005669 ?-? 3.270 7.823 4.39e+07 ga 1795341 ?-? 4.575 8.482 4.38e+07 ga 1646457 ?-? 1.838 9.496 4.37e+07 ga 2004183 ?-? 1.010 4.121 4.36e+07 ga 3001284 ?-? 1.524 1.830 4.36e+07 ga 1329661 ?-? 3.194 7.824 4.35e+07 ga 2029062 ?-? 4.593 2.269 4.32e+07 ga 1 ?-? 0.405 -0.145 4.30e+07 ga 1919790 ?-? 4.386 9.496 4.30e+07 ga 1969061 ?-? 3.408 7.152 4.28e+07 ga 1591945 ?-? 4.942 0.473 4.28e+07 ga 2048816 ?-? 1.599 0.795 4.27e+07 ga 1303431 ?-? 4.597 -0.256 4.27e+07 ga 2392068 ?-? 4.232 1.143 4.26e+07 ga 2414118 ?-? 1.983 9.111 4.25e+07 ga 1455211 ?-? 1.231 4.031 4.22e+07 ga 1656534 ?-? 7.021 7.876 4.22e+07 ga 2133411 ?-? 0.473 9.112 4.21e+07 ga 1400898 ?-? 0.852 0.406 4.19e+07 ga 1696027 ?-? 1.728 4.113 4.17e+07 ga 1329351 ?-? 0.908 7.315 4.16e+07 ga 2503046 ?-? 4.753 8.106 4.13e+07 ga 1869128 ?-? 3.361 7.622 4.09e+07 ga 1920040 ?-? 4.599 8.594 4.06e+07 ga 2509455 ?-? 1.982 0.983 4.05e+07 ga 1410268 ?-? 3.150 9.346 4.02e+07 ga 1581920 ?-? 4.336 2.258 3.99e+07 ga 1464643 ?-? 0.749 6.724 3.98e+07 ga 1986059 ?-? 6.595 7.620 3.97e+07 ga 2181027 ?-? 4.752 3.939 3.94e+07 ga 2059536 ?-? 7.079 7.823 3.85e+07 ga 1449790 ?-? 1.406 2.023 3.84e+07 ga 1199858 ?-? 1.343 0.544 3.83e+07 ga 2119288 ?-? 1.340 1.836 3.83e+07 ga 1434313 ?-? 1.007 8.495 3.81e+07 ga 2155159 ?-? 2.201 4.121 3.80e+07 ga 2276910 ?-? 4.670 3.842 3.80e+07 ga 1833089 ?-? 4.126 0.816 3.79e+07 ga 2035590 ?-? 7.415 8.826 3.79e+07 ga 1854657 ?-? 4.581 8.082 3.78e+07 ga 2355213 ?-? 4.125 0.855 3.76e+07 ga 2000487 ?-? 4.109 7.304 3.75e+07 ga 2030316 ?-? 1.641 1.968 3.75e+07 ga 1144331 ?-? 2.148 7.420 3.73e+07 ga 1453884 ?-? 8.060 8.290 3.72e+07 ga 2384812 ?-? 3.146 4.132 3.69e+07 ga 1631538 ?-? 4.940 8.496 3.67e+07 ga 2218194 ?-? 2.775 8.948 3.66e+07 ga 1790919 ?-? 1.414 1.987 3.61e+07 ga 1102305 ?-? 8.293 1.181 3.61e+07 ga 1919566 ?-? -1.109 0.569 3.56e+07 ga 1365671 ?-? 2.755 7.152 3.54e+07 ga 1245241 ?-? 5.178 1.947 3.53e+07 ga 1350112 ?-? 4.312 8.984 3.51e+07 ga 2009516 ?-? 1.406 8.732 3.50e+07 ga 1465645 ?-? 0.804 0.513 3.49e+07 ga 1707206 ?-? 1.845 8.359 3.48e+07 ga 1673797 ?-? 5.190 0.981 3.47e+07 ga 2073423 ?-? 4.223 8.475 3.46e+07 ga 1833059 ?-? 7.625 7.824 3.44e+07 ga 1634420 ?-? 1.078 0.775 3.40e+07 ga 1146407 ?-? 1.757 8.514 3.38e+07 ga 1833282 ?-? 3.357 0.570 3.37e+07 ga 1489560 ?-? 4.761 3.037 3.36e+07 ga 1 ?-? 0.747 0.406 3.35e+07 ga 1413143 ?-? 4.400 2.571 3.35e+07 ga 1 ?-? 4.294 0.806 3.34e+07 ga 1730699 ?-? 1.728 0.745 3.34e+07 ga 1480768 ?-? 0.799 8.651 3.32e+07 ga 1118122 ?-? 2.042 9.099 3.32e+07 ga 1011922 ?-? 0.794 3.616 3.32e+07 ga 1558219 ?-? 3.300 9.182 3.31e+07 ga 2059716 ?-? 3.046 8.291 3.29e+07 ga 1813466 ?-? 2.870 8.514 3.29e+07 ga 1506285 ?-? 0.855 -0.259 3.28e+07 ga 1766380 ?-? 1.404 8.475 3.21e+07 ga 1489801 ?-? 3.357 6.715 3.21e+07 ga 1087164 ?-? 8.996 9.111 3.20e+07 ga 976918 ?-? 1.342 0.476 3.20e+07 ga 1737350 ?-? 0.479 7.196 3.17e+07 ga 1191597 ?-? 1.566 4.106 3.14e+07 ga 1284670 ?-? 1.971 7.160 3.12e+07 ga 1136071 ?-? 4.481 0.405 3.08e+07 ga 1677170 ?-? 4.600 -0.143 3.08e+07 ga 1324300 ?-? 4.742 1.261 3.07e+07 ga 2024962 ?-? 0.855 8.677 3.06e+07 ga 1508381 ?-? 1.233 0.909 3.05e+07 ga 982817 ?-? 3.777 7.393 3.04e+07 ga 1182499 ?-? 7.396 2.185 3.02e+07 ga 1196728 ?-? 7.417 11.308 3.01e+07 ga 1652900 ?-? 5.514 1.000 3.01e+07 ga 1881805 ?-? 7.317 8.513 2.94e+07 ga 2074062 ?-? 2.915 4.003 2.92e+07 ga 953858 ?-? 1.342 4.027 2.91e+07 ga 891234 ?-? 4.466 0.892 2.89e+07 ga 1751941 ?-? 1.958 8.481 2.89e+07 ga 1222801 ?-? 7.016 8.355 2.88e+07 ga 1736976 ?-? 4.178 8.367 2.87e+07 ga 1476309 ?-? 4.381 1.144 2.87e+07 ga 1921504 ?-? 6.592 0.473 2.85e+07 ga 1714532 ?-? 2.755 9.112 2.82e+07 ga 1002400 ?-? 4.036 7.749 2.81e+07 ga 1025536 ?-? 4.823 1.203 2.80e+07 ga 1893241 ?-? 3.274 0.473 2.80e+07 ga 1230396 ?-? 0.983 8.298 2.80e+07 ga 1147849 ?-? 7.394 2.217 2.80e+07 ga 1170873 ?-? 1.600 3.735 2.78e+07 ga 853264 ?-? 5.823 7.196 2.78e+07 ga 1361377 ?-? 1.080 0.906 2.78e+07 ga 848246 ?-? 7.420 7.749 2.77e+07 ga 1473240 ?-? 7.172 8.358 2.76e+07 ga 1597461 ?-? 0.403 8.299 2.75e+07 ga 1509411 ?-? 3.908 8.381 2.74e+07 ga 1229574 ?-? 2.210 8.091 2.74e+07 ga 1085875 ?-? 1.552 3.739 2.72e+07 ga 828536 ?-? 1.730 8.621 2.71e+07 ga 1646021 ?-? 0.992 1.414 2.71e+07 ga 827459 ?-? 4.027 7.342 2.70e+07 ga 1298259 ?-? 1.344 7.343 2.70e+07 ga 1757881 ?-? 4.235 8.575 2.69e+07 ga 1471802 ?-? 1.972 7.008 2.68e+07 ga 983345 ?-? 2.017 5.598 2.68e+07 ga 1062322 ?-? 3.102 0.477 2.67e+07 ga 1312794 ?-? 7.876 4.218 2.66e+07 ga 1113831 ?-? 1.847 3.978 2.63e+07 ga 803746 ?-? 1.924 7.814 2.63e+07 ga 961773 ?-? 1.181 7.007 2.63e+07 ga 1304258 ?-? 6.990 0.571 2.62e+07 ga 1604222 ?-? 2.916 8.949 2.62e+07 ga 1311398 ?-? 5.513 9.095 2.62e+07 ga 975638 ?-? 1.300 8.290 2.61e+07 ga 1447247 ?-? 9.118 1.560 2.60e+07 ga 1138247 ?-? 2.263 0.853 2.60e+07 ga 887643 ?-? 1.757 3.103 2.59e+07 ga 1027090 ?-? 1.732 6.716 2.59e+07 ga 1304441 ?-? 4.650 2.784 2.58e+07 ga 1 ?-? 3.319 0.544 2.58e+07 ga 1327142 ?-? 2.145 6.800 2.55e+07 ga 1463866 ?-? -1.110 0.472 2.55e+07 ga 1277534 ?-? 4.032 8.288 2.54e+07 ga 1570723 ?-? 0.993 9.107 2.54e+07 ga 927364 ?-? 5.373 3.408 2.54e+07 ga 1 ?-? 1.832 7.316 2.54e+07 ga 1291610 ?-? 7.173 8.289 2.53e+07 ga 1556052 ?-? 1.609 2.897 2.51e+07 ga 1397045 ?-? 1.085 1.515 2.51e+07 ga 1122901 ?-? 4.029 7.174 2.49e+07 ga 1325819 ?-? 3.990 9.496 2.49e+07 ga 1536498 ?-? 4.214 7.393 2.48e+07 ga 962804 ?-? 0.543 8.358 2.47e+07 ga 1484354 ?-? 3.357 6.596 2.47e+07 ga 842692 ?-? 1.345 7.172 2.45e+07 ga 1280481 ?-? 1.086 7.019 2.45e+07 ga 1100739 ?-? 4.743 3.911 2.45e+07 ga 818217 ?-? 4.939 -1.112 2.45e+07 ga 1 ?-? 0.746 0.513 2.43e+07 ga 1066598 ?-? 5.822 1.198 2.43e+07 ga 1659757 ?-? 4.801 9.345 2.43e+07 ga 872264 ?-? 1.598 7.417 2.42e+07 ga 1161587 ?-? 2.149 0.798 2.40e+07 ga 732259 ?-? 4.825 4.238 2.39e+07 ga 995799 ?-? 5.188 1.982 2.38e+07 ga 1058249 ?-? 1.725 8.123 2.37e+07 ga 784379 ?-? 2.781 7.420 2.37e+07 ga 1109386 ?-? 1.007 7.343 2.35e+07 ga 1381299 ?-? 3.242 8.988 2.35e+07 ga 891570 ?-? 4.384 7.978 2.35e+07 ga 1007632 ?-? 4.109 6.715 2.35e+07 ga 1147239 ?-? 3.243 -0.258 2.34e+07 ga 971406 ?-? 7.393 8.092 2.33e+07 ga 1545673 ?-? 7.416 9.346 2.32e+07 ga 1250850 ?-? 8.514 9.119 2.29e+07 ga 1183897 ?-? 3.978 8.059 2.28e+07 ga 1614624 ?-? 3.272 10.371 2.28e+07 ga 836265 ?-? 1.757 3.617 2.27e+07 ga 986737 ?-? 6.949 7.315 2.23e+07 ga 1352506 ?-? 5.821 5.234 2.23e+07 ga 885137 ?-? 0.805 8.733 2.21e+07 ga 949402 ?-? 8.655 8.789 2.21e+07 ga 872063 ?-? 6.364 7.153 2.19e+07 ga 667956 ?-? 3.354 0.473 2.19e+07 ga 851144 ?-? 1.316 0.864 2.18e+07 ga 666107 ?-? 4.269 6.988 2.18e+07 ga 1132432 ?-? 4.005 7.392 2.17e+07 ga 1205896 ?-? 0.748 6.987 2.17e+07 ga 1161749 ?-? 2.057 8.480 2.17e+07 ga 790191 ?-? 7.825 10.370 2.16e+07 ga 998551 ?-? 7.749 8.192 2.16e+07 ga 1010000 ?-? 3.619 7.316 2.15e+07 ga 1198305 ?-? 3.831 9.100 2.15e+07 ga 943611 ?-? 4.582 8.622 2.14e+07 ga 1449962 ?-? 4.121 8.355 2.14e+07 ga 1385119 ?-? 3.409 9.098 2.13e+07 ga 781091 ?-? 7.199 8.984 2.13e+07 ga 1203139 ?-? 4.981 2.040 2.12e+07 ga 646990 ?-? 9.119 1.596 2.12e+07 ga 916132 ?-? 2.990 8.291 2.12e+07 ga 1042560 ?-? 1.634 1.914 2.11e+07 ga 647600 ?-? 5.655 3.197 2.11e+07 ga 1 ?-? -0.260 8.381 2.11e+07 ga 977734 ?-? 9.103 9.284 2.10e+07 ga 680184 ?-? 0.998 10.370 2.10e+07 ga 902375 ?-? 1.345 3.103 2.09e+07 ga 745242 ?-? 7.393 9.115 2.08e+07 ga 1320617 ?-? 4.970 2.907 2.08e+07 ga 1 ?-? 6.365 2.846 2.08e+07 ga 1 ?-? 1.641 7.161 2.07e+07 ga 661908 ?-? 5.148 1.893 2.06e+07 ga 837743 ?-? 1.516 7.019 2.06e+07 ga 1031506 ?-? 5.148 1.407 2.05e+07 ga 825176 ?-? 1.566 0.534 2.05e+07 ga 625601 ?-? 2.616 7.603 2.04e+07 ga 821144 ?-? 1.004 1.346 2.04e+07 ga 719980 ?-? 1.405 7.415 2.04e+07 ga 936800 ?-? 4.599 8.297 2.03e+07 ga 672866 ?-? 1.343 8.494 2.03e+07 ga 1134445 ?-? 7.420 8.949 2.03e+07 ga 1355331 ?-? 2.051 8.371 2.03e+07 ga 723643 ?-? 1.428 2.976 2.02e+07 ga 631294 ?-? 1.182 8.059 2.02e+07 ga 1290114 ?-? 3.189 7.624 2.01e+07 ga 811823 ?-? 3.005 9.016 2.01e+07 ga 647039 ?-? 1.627 2.762 2.00e+07 ga 780445 ?-? 7.154 9.114 1.98e+07 ga 706645 ?-? 2.044 1.000 1.98e+07 ga 830705 ?-? 4.480 0.745 1.98e+07 ga 924044 ?-? 3.410 7.189 1.97e+07 ga 671299 ?-? 4.410 7.020 1.96e+07 ga 1026892 ?-? 2.201 8.493 1.95e+07 ga 1036363 ?-? 2.846 4.165 1.95e+07 ga 803557 ?-? 2.846 8.594 1.95e+07 ga 929861 ?-? 1.422 3.098 1.95e+07 ga 602053 ?-? 3.198 0.473 1.95e+07 ga 877893 ?-? 3.714 4.023 1.94e+07 ga 739420 ?-? 5.238 1.198 1.93e+07 ga 1287132 ?-? 1.343 9.347 1.92e+07 ga 1046232 ?-? 0.800 2.781 1.91e+07 ga 1 ?-? 4.061 9.496 1.91e+07 ga 926765 ?-? 7.085 0.480 1.91e+07 ga 648243 ?-? 3.741 6.948 1.90e+07 ga 1292076 ?-? 3.712 8.287 1.90e+07 ga 899513 ?-? 4.264 8.092 1.90e+07 ga 1121164 ?-? 7.395 7.876 1.90e+07 ga 982267 ?-? 2.678 8.358 1.89e+07 ga 1275227 ?-? 1.578 0.886 1.88e+07 ga 893844 ?-? 2.516 8.574 1.88e+07 ga 800618 ?-? 3.319 8.289 1.88e+07 ga 1238118 ?-? 4.393 2.261 1.88e+07 ga 573538 ?-? 4.108 9.117 1.88e+07 ga 1200167 ?-? 1.900 9.095 1.88e+07 ga 594419 ?-? 8.194 0.816 1.87e+07 ga 1110627 ?-? 1.483 4.065 1.87e+07 ga 572467 ?-? 4.329 3.775 1.87e+07 ga 685608 ?-? 1.331 0.902 1.87e+07 ga 573049 ?-? 1.921 9.496 1.86e+07 ga 902370 ?-? 8.622 8.949 1.86e+07 ga 1222919 ?-? 6.570 7.192 1.86e+07 ga 566382 ?-? 2.756 0.477 1.85e+07 ga 860707 ?-? 1.329 0.822 1.84e+07 ga 562556 ?-? 1.752 0.476 1.84e+07 ga 817979 ?-? 3.409 7.082 1.84e+07 ga 695664 ?-? 2.566 9.019 1.83e+07 ga 752508 ?-? 2.215 4.177 1.83e+07 ga 561064 ?-? 3.320 7.171 1.82e+07 ga 721644 ?-? 7.305 11.309 1.82e+07 ga 714183 ?-? 4.129 8.194 1.81e+07 ga 833457 ?-? 1.837 8.826 1.81e+07 ga 592058 ?-? 4.751 8.384 1.81e+07 ga 664669 ?-? 3.722 9.181 1.81e+07 ga 1187628 ?-? 1.177 7.159 1.81e+07 ga 808739 ?-? 0.507 8.787 1.80e+07 ga 991932 ?-? 4.742 2.565 1.80e+07 ga 1 ?-? 8.623 9.182 1.80e+07 ga 1199020 ?-? 4.389 7.417 1.79e+07 ga 677044 ?-? 4.400 8.949 1.79e+07 ga 1243539 ?-? 4.299 9.111 1.79e+07 ga 642507 ?-? 8.091 9.182 1.77e+07 ga 1255273 ?-? 0.477 8.984 1.76e+07 ga 965485 ?-? 0.471 -0.257 1.75e+07 ga 770799 ?-? 6.720 0.570 1.75e+07 ga 939455 ?-? 5.238 7.197 1.75e+07 ga 666655 ?-? 4.398 2.762 1.75e+07 ga 765472 ?-? 4.264 2.772 1.75e+07 ga 1 ?-? 1.260 7.814 1.74e+07 ga 988292 ?-? 3.105 7.173 1.74e+07 ga 1097208 ?-? 1.406 8.122 1.74e+07 ga 671572 ?-? 4.331 2.200 1.74e+07 ga 700161 ?-? 1.356 1.910 1.74e+07 ga 529848 ?-? 0.862 9.116 1.73e+07 ga 827860 ?-? 2.271 7.603 1.72e+07 ga 658617 ?-? 5.600 8.735 1.72e+07 ga 821746 ?-? 4.980 1.991 1.71e+07 ga 707333 ?-? 3.008 8.678 1.71e+07 ga 1004321 ?-? 0.519 4.107 1.71e+07 ga 724188 ?-? 1.186 0.863 1.71e+07 ga 520186 ?-? 2.112 2.421 1.71e+07 ga 660146 ?-? 4.579 8.989 1.70e+07 ga 571292 ?-? 1.335 3.737 1.70e+07 ga 520245 ?-? 5.191 3.832 1.70e+07 ga 881205 ?-? 4.942 9.350 1.69e+07 ga 716570 ?-? 6.949 8.358 1.69e+07 ga 1199288 ?-? 2.568 5.279 1.69e+07 ga 589412 ?-? 2.087 7.153 1.68e+07 ga 401432 ?-? 1.489 9.496 1.68e+07 ga 847493 ?-? 1.708 4.215 1.68e+07 ga 515565 ?-? -0.258 11.308 1.67e+07 ga 815438 ?-? 2.531 8.594 1.67e+07 ga 893873 ?-? 5.145 1.740 1.67e+07 ga 630903 ?-? 2.014 5.374 1.66e+07 ga 549915 ?-? 1.629 2.025 1.66e+07 ga 505816 ?-? 5.250 9.347 1.66e+07 ga 573898 ?-? 6.805 7.423 1.65e+07 ga 997877 ?-? 4.649 2.145 1.65e+07 ga 1 ?-? 3.189 6.594 1.65e+07 ga 602338 ?-? 2.205 3.618 1.65e+07 ga 509234 ?-? -1.108 0.858 1.64e+07 ga 500791 ?-? 2.870 6.595 1.63e+07 ga 603753 ?-? 2.757 0.544 1.63e+07 ga 807370 ?-? 1.988 1.091 1.63e+07 ga 495840 ?-? 0.731 0.474 1.62e+07 ga 684141 ?-? 5.237 1.912 1.62e+07 ga 1 ?-? 4.943 0.805 1.61e+07 ga 492428 ?-? 4.300 1.085 1.60e+07 ga 491063 ?-? 5.241 9.094 1.60e+07 ga 564198 ?-? 1.970 2.668 1.60e+07 ga 761503 ?-? 1.848 2.676 1.59e+07 ga 1 ?-? 5.280 9.017 1.59e+07 ga 1035018 ?-? 2.449 7.941 1.58e+07 ga 807085 ?-? 1.991 0.772 1.58e+07 ga 754028 ?-? 4.479 8.734 1.58e+07 ga 481388 ?-? 6.583 0.568 1.57e+07 ga 534258 ?-? 5.515 3.776 1.57e+07 ga 513393 ?-? 3.151 7.414 1.57e+07 ga 1298882 ?-? 4.596 0.406 1.57e+07 ga 761163 ?-? 4.467 7.418 1.57e+07 ga 687046 ?-? 2.263 3.244 1.57e+07 ga 1 ?-? 4.291 0.775 1.57e+07 ga 480332 ?-? 4.334 3.243 1.56e+07 ga 1 ?-? 4.944 3.267 1.55e+07 ga 510014 ?-? -1.110 8.651 1.54e+07 ga 644219 ?-? 4.465 1.596 1.54e+07 ga 684703 ?-? 1.413 4.218 1.53e+07 ga 469498 ?-? 4.122 8.495 1.53e+07 ga 711336 ?-? 4.824 9.281 1.53e+07 ga 820626 ?-? -1.109 0.513 1.52e+07 ga 525789 ?-? 1.589 7.393 1.52e+07 ga 719315 ?-? 4.759 1.201 1.51e+07 ga 460808 ?-? 2.206 7.814 1.51e+07 ga 473230 ?-? 0.802 9.113 1.50e+07 ga 558655 ?-? 4.943 10.368 1.50e+07 ga 543391 ?-? 4.654 7.420 1.49e+07 ga 631844 ?-? 1.535 6.950 1.49e+07 ga 655749 ?-? 1.411 9.111 1.48e+07 ga 495943 ?-? 5.149 7.980 1.47e+07 ga 820802 ?-? 0.891 8.121 1.47e+07 ga 669292 ?-? 2.752 5.372 1.47e+07 ga 502022 ?-? 0.750 8.734 1.46e+07 ga 661159 ?-? 5.595 1.935 1.46e+07 ga 555703 ?-? 4.335 7.808 1.46e+07 ga 921960 ?-? 1.957 3.979 1.45e+07 ga 515330 ?-? 6.713 0.472 1.45e+07 ga 836941 ?-? 1.931 8.404 1.45e+07 ga 473376 ?-? 4.668 8.986 1.45e+07 ga 676718 ?-? 1.729 0.406 1.44e+07 ga 825278 ?-? 2.014 4.213 1.44e+07 ga 530505 ?-? 0.854 8.987 1.43e+07 ga 1 ?-? 3.362 9.344 1.43e+07 ga 533718 ?-? 1.554 7.390 1.42e+07 ga 602924 ?-? 1.897 8.476 1.42e+07 ga 564848 ?-? 4.295 1.411 1.42e+07 ga 489824 ?-? 2.781 6.801 1.42e+07 ga 965939 ?-? 2.042 5.514 1.42e+07 ga 480078 ?-? 1.477 8.649 1.41e+07 ga 496565 ?-? 2.143 5.593 1.41e+07 ga 442421 ?-? -0.143 8.297 1.41e+07 ga 523779 ?-? 2.014 7.152 1.40e+07 ga 563894 ?-? 0.909 3.105 1.40e+07 ga 551755 ?-? 1.227 2.051 1.40e+07 ga 436748 ?-? 1.233 7.875 1.40e+07 ga 609612 ?-? 4.310 2.143 1.39e+07 ga 484367 ?-? 7.148 9.348 1.39e+07 ga 579972 ?-? 2.910 8.577 1.38e+07 ga 606762 ?-? 5.820 4.311 1.38e+07 ga 681484 ?-? 7.075 0.512 1.38e+07 ga 733575 ?-? 4.480 8.298 1.37e+07 ga 515053 ?-? 2.909 7.825 1.37e+07 ga 479555 ?-? 1.905 0.999 1.37e+07 ga 438789 ?-? 4.796 8.489 1.36e+07 ga 416957 ?-? 5.598 8.405 1.36e+07 ga 868137 ?-? 0.510 8.104 1.36e+07 ga 507930 ?-? 3.197 9.103 1.35e+07 ga 448781 ?-? 1.196 8.107 1.35e+07 ga 540152 ?-? 1.220 2.012 1.34e+07 ga 461375 ?-? 4.581 8.192 1.34e+07 ga 591986 ?-? 3.722 6.989 1.33e+07 ga 657200 ?-? 4.479 1.313 1.33e+07 ga 534534 ?-? 7.005 7.824 1.33e+07 ga 459928 ?-? 4.406 7.878 1.33e+07 ga 578240 ?-? 1.314 0.570 1.33e+07 ga 663565 ?-? 2.868 6.713 1.32e+07 ga 573594 ?-? 1.233 3.100 1.32e+07 ga 456304 ?-? 6.369 6.726 1.32e+07 ga 476179 ?-? 4.950 3.197 1.32e+07 ga 424460 ?-? 5.151 8.123 1.32e+07 ga 758365 ?-? 5.257 3.348 1.31e+07 ga 878791 ?-? 1.841 7.005 1.31e+07 ga 423734 ?-? 2.427 4.005 1.30e+07 ga 398059 ?-? 1.575 0.746 1.30e+07 ga 502975 ?-? 4.768 3.303 1.30e+07 ga 654749 ?-? 3.720 0.745 1.30e+07 ga 786656 ?-? 1.202 1.909 1.29e+07 ga 395504 ?-? 4.981 2.364 1.28e+07 ga 526677 ?-? 4.209 2.085 1.28e+07 ga 563813 ?-? 4.970 2.514 1.27e+07 ga 475713 ?-? 2.579 8.947 1.27e+07 ga 780322 ?-? 3.843 0.795 1.27e+07 ga 707721 ?-? 4.942 1.005 1.27e+07 ga 573727 ?-? 1.276 1.910 1.26e+07 ga 384599 ?-? 1.951 9.347 1.26e+07 ga 530052 ?-? 2.145 3.723 1.26e+07 ga 446254 ?-? 2.561 1.260 1.25e+07 ga 449302 ?-? 4.332 1.933 1.25e+07 ga 431321 ?-? 2.757 7.195 1.24e+07 ga 548436 ?-? 7.079 0.546 1.24e+07 ga 380925 ?-? 5.186 0.475 1.24e+07 ga 600978 ?-? 2.873 0.570 1.24e+07 ga 508213 ?-? 5.658 10.368 1.24e+07 ga 377720 ?-? 0.406 9.019 1.24e+07 ga 609181 ?-? 3.710 6.946 1.23e+07 ga 563637 ?-? 2.867 9.117 1.23e+07 ga 622442 ?-? 4.751 8.786 1.23e+07 ga 937896 ?-? 8.290 1.234 1.22e+07 ga 554229 ?-? 4.295 1.985 1.22e+07 ga 390239 ?-? 2.080 5.373 1.21e+07 ga 370292 ?-? 1.228 2.088 1.21e+07 ga 409598 ?-? 5.660 7.822 1.21e+07 ga 571957 ?-? 5.255 3.375 1.21e+07 ga 666628 ?-? 2.147 8.401 1.21e+07 ga 370384 ?-? 1.203 8.574 1.21e+07 ga 449819 ?-? 8.474 8.734 1.21e+07 ga 549738 ?-? 0.801 8.787 1.20e+07 ga 596339 ?-? 8.354 8.595 1.20e+07 ga 628706 ?-? 1.709 3.098 1.20e+07 ga 423204 ?-? 4.581 6.779 1.20e+07 ga 778629 ?-? 5.596 4.293 1.20e+07 ga 440467 ?-? 1.255 2.979 1.20e+07 ga 433283 ?-? 5.183 7.955 1.20e+07 ga 505181 ?-? 6.995 0.515 1.19e+07 ga 381006 ?-? 5.237 2.037 1.19e+07 ga 377067 ?-? 2.106 4.173 1.19e+07 ga 363756 ?-? 2.057 9.344 1.19e+07 ga 561269 ?-? 4.383 1.920 1.19e+07 ga 364183 ?-? 3.404 7.825 1.19e+07 ga 502549 ?-? 3.199 10.376 1.19e+07 ga 375331 ?-? 0.483 7.156 1.18e+07 ga 637444 ?-? 3.003 5.274 1.18e+07 ga 361845 ?-? 3.273 6.589 1.18e+07 ga 358662 ?-? 2.131 9.113 1.17e+07 ga 357356 ?-? 3.147 7.621 1.17e+07 ga 551093 ?-? 4.035 8.192 1.17e+07 ga 439402 ?-? 3.409 0.543 1.16e+07 ga 531189 ?-? 1.314 0.405 1.15e+07 ga 565881 ?-? 4.388 7.811 1.15e+07 ga 421314 ?-? 3.357 9.280 1.15e+07 ga 414821 ?-? 4.981 2.127 1.14e+07 ga 350678 ?-? 7.876 4.169 1.13e+07 ga 465038 ?-? 1.201 3.823 1.13e+07 ga 377232 ?-? 3.840 7.083 1.13e+07 ga 471757 ?-? 6.726 0.511 1.13e+07 ga 630686 ?-? 2.532 4.164 1.13e+07 ga 347407 ?-? 5.597 0.752 1.12e+07 ga 374911 ?-? 2.755 7.089 1.12e+07 ga 350044 ?-? 8.679 8.989 1.12e+07 ga 402517 ?-? 1.239 1.846 1.12e+07 ga 341020 ?-? 3.148 8.989 1.12e+07 ga 408281 ?-? 5.824 8.105 1.11e+07 ga 721462 ?-? 1.417 0.406 1.11e+07 ga 395854 ?-? 6.923 2.098 1.10e+07 ga 335949 ?-? 1.965 6.944 1.10e+07 ga 394866 ?-? 3.149 8.677 1.10e+07 ga 522883 ?-? 7.408 2.605 1.10e+07 ga 1 ?-? 1.227 7.175 1.10e+07 ga 432761 ?-? 5.657 7.608 1.09e+07 ga 359926 ?-? -0.260 7.304 1.09e+07 ga 666503 ?-? 2.261 7.811 1.09e+07 ga 489397 ?-? 9.100 10.363 1.09e+07 ga 438437 ?-? 3.937 8.106 1.08e+07 ga 550012 ?-? -0.258 8.299 1.08e+07 ga 381280 ?-? 8.825 9.495 1.08e+07 ga 650860 ?-? 4.132 8.990 1.07e+07 ga 399035 ?-? 0.540 9.116 1.07e+07 ga 484270 ?-? 3.044 8.058 1.07e+07 ga 516016 ?-? 4.768 7.342 1.07e+07 ga 809979 ?-? 4.109 7.393 1.06e+07 ga 350158 ?-? 1.968 2.691 1.06e+07 ga 605910 ?-? 5.821 8.652 1.06e+07 ga 534148 ?-? 3.861 8.196 1.06e+07 ga 323777 ?-? 3.010 8.974 1.06e+07 ga 323396 ?-? -0.259 8.989 1.06e+07 ga 419438 ?-? 5.515 7.825 1.06e+07 ga 341018 ?-? 3.993 8.290 1.05e+07 ga 459201 ?-? 4.596 7.604 1.05e+07 ga 489802 ?-? 2.145 6.370 1.05e+07 ga 674523 ?-? 1.730 8.082 1.05e+07 ga 385704 ?-? 1.726 0.568 1.05e+07 ga 674046 ?-? 4.117 7.341 1.05e+07 ga 560312 ?-? 0.482 7.310 1.04e+07 ga 318340 ?-? 1.931 8.786 1.04e+07 ga 486376 ?-? 1.354 8.650 1.04e+07 ga 415149 ?-? 3.361 8.514 1.04e+07 ga 813417 ?-? 3.998 8.088 1.04e+07 ga 342886 ?-? 4.134 6.778 1.03e+07 ga 608809 ?-? 5.515 7.396 1.03e+07 ga 430150 ?-? 3.743 9.118 1.03e+07 ga 420208 ?-? 2.783 6.368 1.03e+07 ga 423206 ?-? 2.529 8.356 1.03e+07 ga 516677 ?-? 4.379 8.818 1.03e+07 ga 475897 ?-? 1.728 -0.258 1.03e+07 ga 600646 ?-? 6.596 7.303 1.02e+07 ga 437425 ?-? 3.302 6.727 1.02e+07 ga 495639 ?-? 7.004 0.547 1.01e+07 ga 579529 ?-? 2.201 7.346 1.01e+07 ga 380791 ?-? 4.385 2.199 1.01e+07 ga 307739 ?-? 5.654 3.269 1.01e+07 ga 338048 ?-? -0.261 8.481 1.00e+07 ga 496569 ?-? 2.017 8.404 1.00e+07 ga 305812 ?-? 1.846 7.164 9.99e+06 ga 386913 ?-? -0.263 7.414 9.91e+06 ga 646651 ?-? 2.565 7.190 9.90e+06 ga 532025 ?-? 6.363 1.178 9.89e+06 ga 236345 ?-? 0.467 8.298 9.89e+06 ga 308955 ?-? 0.856 3.242 9.88e+06 ga 1 ?-? 5.183 2.050 9.86e+06 ga 1 ?-? 0.473 7.826 9.85e+06 ga 606994 ?-? 0.805 6.792 9.84e+06 ga 424004 ?-? 4.314 2.365 9.81e+06 ga 358507 ?-? 5.145 1.464 9.80e+06 ga 370572 ?-? 7.397 7.601 9.80e+06 ga 307578 ?-? 0.501 8.649 9.79e+06 ga 300285 ?-? 2.569 6.794 9.76e+06 ga 361561 ?-? 4.129 8.083 9.73e+06 ga 474818 ?-? 3.997 7.419 9.70e+06 ga 418265 ?-? 4.236 7.415 9.69e+06 ga 494908 ?-? 3.277 9.106 9.67e+06 ga 345969 ?-? 4.946 8.648 9.65e+06 ga 452315 ?-? 0.477 -0.143 9.65e+06 ga 294414 ?-? 4.954 7.824 9.64e+06 ga 304003 ?-? 1.205 9.284 9.60e+06 ga 477018 ?-? 1.342 7.146 9.55e+06 ga 619031 ?-? 1.402 9.020 9.55e+06 ga 291434 ?-? 6.559 7.827 9.54e+06 ga 449264 ?-? 0.794 7.316 9.52e+06 ga 523214 ?-? 4.167 8.592 9.51e+06 ga 447011 ?-? 2.907 7.160 9.50e+06 ga 303614 ?-? 3.312 8.060 9.50e+06 ga 534796 ?-? 2.054 3.905 9.47e+06 ga 288884 ?-? 3.837 8.984 9.43e+06 ga 509098 ?-? 4.602 2.619 9.43e+06 ga 433053 ?-? 1.896 8.121 9.41e+06 ga 361775 ?-? 1.407 0.470 9.37e+06 ga 291705 ?-? 1.981 8.299 9.37e+06 ga 333150 ?-? 1.195 8.984 9.36e+06 ga 542698 ?-? 0.878 6.723 9.34e+06 ga 287059 ?-? 8.988 11.308 9.32e+06 ga 311143 ?-? 8.100 0.792 9.31e+06 ga 296314 ?-? 6.363 2.527 9.30e+06 ga 283443 ?-? 3.148 9.281 9.30e+06 ga 283696 ?-? 1.005 4.025 9.27e+06 ga 284534 ?-? 1.002 7.390 9.26e+06 ga 283393 ?-? 6.371 4.217 9.23e+06 ga 281334 ?-? 1.341 6.949 9.22e+06 ga 388621 ?-? 7.077 5.821 9.20e+06 ga 332870 ?-? 1.260 3.016 9.20e+06 ga 305232 ?-? 5.643 3.829 9.19e+06 ga 280954 ?-? 2.041 8.652 9.16e+06 ga 279385 ?-? 4.411 3.777 9.15e+06 ga 280045 ?-? 3.409 0.477 9.07e+06 ga 438878 ?-? 1.584 4.006 9.07e+06 ga 301655 ?-? 1.003 3.036 8.99e+06 ga 351875 ?-? 3.717 0.814 8.98e+06 ga 419415 ?-? 4.969 8.575 8.98e+06 ga 380306 ?-? 2.914 8.082 8.94e+06 ga 404681 ?-? 7.075 6.550 8.93e+06 ga 274180 ?-? 4.751 0.514 8.90e+06 ga 595405 ?-? 2.867 0.475 8.86e+06 ga 432776 ?-? 3.980 8.357 8.84e+06 ga 453506 ?-? 4.976 7.152 8.83e+06 ga 269661 ?-? 4.120 8.617 8.82e+06 ga 269263 ?-? 6.596 7.821 8.80e+06 ga 544154 ?-? 5.238 8.985 8.80e+06 ga 329749 ?-? 1.612 6.951 8.67e+06 ga 351373 ?-? 1.641 8.358 8.66e+06 ga 424734 ?-? 0.804 2.555 8.59e+06 ga 306123 ?-? 5.375 7.150 8.58e+06 ga 482106 ?-? 1.725 7.416 8.53e+06 ga 350113 ?-? 3.733 7.313 8.50e+06 ga 378082 ?-? 1.701 4.062 8.49e+06 ga 258829 ?-? 0.795 8.514 8.48e+06 ga 545309 ?-? 0.908 8.515 8.47e+06 ga 380649 ?-? 2.366 9.116 8.45e+06 ga 287193 ?-? 3.842 7.193 8.45e+06 ga 488421 ?-? 1.735 6.986 8.40e+06 ga 377049 ?-? 3.004 7.190 8.32e+06 ga 565281 ?-? 1.907 5.515 8.30e+06 ga 318821 ?-? 2.012 8.787 8.27e+06 ga 401057 ?-? 0.812 7.414 8.23e+06 ga 417712 ?-? 0.479 7.955 8.18e+06 ga 357232 ?-? 3.303 0.571 8.17e+06 ga 681790 ?-? 1.196 6.921 8.14e+06 ga 319379 ?-? 1.408 7.980 8.12e+06 ga 399786 ?-? 1.086 9.110 8.12e+06 ga 303052 ?-? 4.596 9.281 8.11e+06 ga 432266 ?-? 2.200 9.498 8.09e+06 ga 451125 ?-? 8.300 9.018 8.09e+06 ga 261105 ?-? 2.621 3.774 8.06e+06 ga 337755 ?-? 4.573 8.948 8.04e+06 ga 427680 ?-? 4.003 8.623 8.03e+06 ga 501436 ?-? 5.211 0.791 8.01e+06 ga 244669 ?-? 4.403 1.512 8.00e+06 ga 243902 ?-? 4.397 3.715 7.98e+06 ga 243518 ?-? 6.992 9.181 7.96e+06 ga 555685 ?-? 8.126 1.464 7.96e+06 ga 244313 ?-? 5.182 0.404 7.94e+06 ga 290848 ?-? 1.302 3.708 7.88e+06 ga 290110 ?-? 6.359 4.167 7.88e+06 ga 240223 ?-? 1.933 0.802 7.86e+06 ga 457192 ?-? 1.729 0.511 7.86e+06 ga 382494 ?-? 1.745 0.538 7.86e+06 ga 243082 ?-? 4.112 9.185 7.84e+06 ga 349844 ?-? 0.984 7.189 7.82e+06 ga 548489 ?-? 4.669 0.477 7.82e+06 ga 430843 ?-? 0.795 3.299 7.82e+06 ga 272835 ?-? 0.752 -0.259 7.78e+06 ga 365677 ?-? 4.293 8.784 7.77e+06 ga 269448 ?-? 5.254 8.384 7.74e+06 ga 281738 ?-? 3.362 9.115 7.68e+06 ga 402517 ?-? 4.983 8.373 7.62e+06 ga 313098 ?-? 4.337 8.483 7.61e+06 ga 318303 ?-? 4.648 7.750 7.60e+06 ga 337090 ?-? 4.578 7.749 7.60e+06 ga 409796 ?-? 4.485 -0.256 7.57e+06 ga 244669 ?-? 1.410 0.571 7.52e+06 ga 325746 ?-? 4.234 8.825 7.49e+06 ga 312045 ?-? 2.776 3.722 7.49e+06 ga 233870 ?-? 1.953 3.911 7.44e+06 ga 242177 ?-? -0.138 8.385 7.44e+06 ga 304140 ?-? 8.086 8.622 7.43e+06 ga 441867 ?-? 1.560 7.308 7.42e+06 ga 365285 ?-? 2.014 7.877 7.40e+06 ga 290941 ?-? 2.148 8.787 7.39e+06 ga 227879 ?-? 4.126 7.019 7.35e+06 ga 331975 ?-? 1.188 6.959 7.35e+06 ga 240689 ?-? 3.998 0.817 7.34e+06 ga 346839 ?-? 4.990 8.980 7.25e+06 ga 221149 ?-? 7.088 8.984 7.23e+06 ga 220695 ?-? 0.402 8.383 7.21e+06 ga 396504 ?-? 1.731 8.475 7.20e+06 ga 377370 ?-? 6.360 7.417 7.18e+06 ga 257722 ?-? -0.135 7.301 7.17e+06 ga 218813 ?-? 7.082 6.584 7.17e+06 ga 267697 ?-? 1.631 4.106 7.17e+06 ga 335540 ?-? 4.229 7.150 7.17e+06 ga 229385 ?-? 1.202 9.101 7.16e+06 ga 242330 ?-? 1.404 7.874 7.12e+06 ga 347442 ?-? 3.102 7.315 7.11e+06 ga 509990 ?-? 4.587 7.419 7.10e+06 ga 217778 ?-? 4.239 9.282 7.08e+06 ga 275569 ?-? 5.591 0.806 7.01e+06 ga 261147 ?-? 3.832 9.283 7.00e+06 ga 297574 ?-? 7.623 9.280 6.99e+06 ga 213625 ?-? 4.795 7.416 6.98e+06 ga 348321 ?-? 3.940 8.786 6.97e+06 ga 343668 ?-? 0.804 7.192 6.95e+06 ga 375835 ?-? 2.677 9.120 6.91e+06 ga 232338 ?-? 3.911 7.813 6.90e+06 ga 309780 ?-? 7.825 9.100 6.88e+06 ga 250625 ?-? 0.892 2.788 6.86e+06 ga 234671 ?-? 1.712 7.877 6.84e+06 ga 351070 ?-? 4.268 8.948 6.81e+06 ga 330610 ?-? 1.018 7.314 6.81e+06 ga 287497 ?-? 8.746 9.017 6.80e+06 ga 216659 ?-? 1.257 8.382 6.78e+06 ga 347384 ?-? 3.836 7.954 6.71e+06 ga 272600 ?-? 7.975 9.023 6.65e+06 ga 301204 ?-? 1.735 11.306 6.62e+06 ga 254549 ?-? 0.857 7.308 6.62e+06 ga 390091 ?-? 1.141 8.828 6.59e+06 ga 308045 ?-? 0.486 10.371 6.58e+06 ga 287036 ?-? 2.905 7.606 6.50e+06 ga 240762 ?-? 6.987 8.090 6.50e+06 ga 387119 ?-? 1.232 7.342 6.50e+06 ga 269406 ?-? 3.723 7.420 6.47e+06 ga 281594 ?-? 5.258 7.621 6.47e+06 ga 247874 ?-? 8.300 9.106 6.46e+06 ga 212552 ?-? 1.661 6.949 6.31e+06 ga 271641 ?-? 6.717 9.180 6.30e+06 ga 281915 ?-? 0.552 7.823 6.30e+06 ga 236677 ?-? 4.267 2.584 6.27e+06 ga 297684 ?-? 4.747 9.014 6.25e+06 ga 321071 ?-? 1.738 3.293 6.25e+06 ga 230828 ?-? 7.343 8.493 6.24e+06 ga 549117 ?-? 8.197 0.856 6.20e+06 ga 253855 ?-? 3.616 7.391 6.19e+06 ga 354941 ?-? 2.678 8.513 6.18e+06 ga 384738 ?-? 4.266 6.799 6.16e+06 ga 292568 ?-? 3.354 7.416 6.15e+06 ga 428574 ?-? 2.263 8.676 6.14e+06 ga 286846 ?-? 4.477 0.801 6.12e+06 ga 310669 ?-? 1.203 8.651 6.12e+06 ga 278608 ?-? 2.369 7.853 6.06e+06 ga 377417 ?-? 1.002 2.996 6.03e+06 ga 301871 ?-? 3.713 7.172 6.02e+06 ga 333235 ?-? 3.911 8.482 6.02e+06 ga 264211 ?-? 0.812 6.985 6.01e+06 ga 236854 ?-? 0.467 7.619 5.95e+06 ga 266315 ?-? 2.143 6.720 5.93e+06 ga 212066 ?-? 2.207 8.371 5.92e+06 ga 304634 ?-? 3.150 5.245 5.90e+06 ga 224728 ?-? 0.802 3.101 5.87e+06 ga 223543 ?-? 4.290 2.018 5.87e+06 ga 257754 ?-? 4.009 0.858 5.87e+06 ga 290846 ?-? 2.999 6.788 5.85e+06 ga 321820 ?-? 1.228 8.495 5.84e+06 ga 256764 ?-? 0.803 6.726 5.81e+06 ga 274586 ?-? 3.316 8.360 5.81e+06 ga 268364 ?-? 2.679 7.008 5.80e+06 ga 283211 ?-? 2.410 8.097 5.75e+06 ga 235789 ?-? 1.601 8.820 5.72e+06 ga 245497 ?-? 1.649 7.010 5.70e+06 ga 224906 ?-? 3.318 6.915 5.66e+06 ga 226368 ?-? 4.110 6.596 5.64e+06 ga 232072 ?-? 2.757 7.824 5.63e+06 ga 254337 ?-? 0.412 7.307 5.63e+06 ga 394997 ?-? 5.827 0.478 5.61e+06 ga 268770 ?-? 2.863 6.555 5.61e+06 ga 186540 ?-? 8.359 7.874 5.60e+06 ga 268274 ?-? 2.277 3.782 5.58e+06 ga 231806 ?-? 4.576 8.677 5.54e+06 ga 208995 ?-? 4.033 8.497 5.43e+06 ga 257492 ?-? 2.272 8.593 5.39e+06 ga 228384 ?-? 3.238 0.404 5.39e+06 ga 267634 ?-? 3.615 8.514 5.37e+06 ga 421372 ?-? 1.310 8.735 5.33e+06 ga 224350 ?-? 6.916 9.350 5.33e+06 ga 232359 ?-? 3.272 7.623 5.33e+06 ga 220620 ?-? 2.990 7.342 5.31e+06 ga 215045 ?-? 1.262 7.190 5.28e+06 ga 439216 ?-? 0.545 8.290 5.27e+06 ga 303680 ?-? 3.934 6.724 5.26e+06 ga 196630 ?-? 2.683 6.951 5.25e+06 ga 239320 ?-? 8.299 8.479 5.25e+06 ga 221382 ?-? 0.977 6.792 5.24e+06 ga 403942 ?-? 2.683 7.160 5.22e+06 ga 281342 ?-? 1.347 6.914 5.21e+06 ga 207993 ?-? 2.333 8.478 5.15e+06 ga 265556 ?-? 3.301 7.393 5.13e+06 ga 271592 ?-? 5.596 4.223 5.09e+06 ga 209382 ?-? 0.538 7.307 5.07e+06 ga 257564 ?-? 3.829 8.298 5.03e+06 ga 254501 ?-? 8.650 9.106 5.01e+06 ga 218154 ?-? 4.482 -0.144 5.00e+06 ga 209687 ?-? 1.258 6.787 4.98e+06 ga 346047 ?-? 6.721 0.406 4.92e+06 ga 369806 ?-? 1.620 7.314 4.90e+06 ga 254134 ?-? 3.718 6.801 4.90e+06 ga 330422 ?-? 6.938 0.544 4.89e+06 ga 275646 ?-? 4.988 9.344 4.86e+06 ga 235450 ?-? 1.342 9.109 4.84e+06 ga 228539 ?-? 5.260 7.415 4.84e+06 ga 291439 ?-? 1.722 8.670 4.83e+06 ga 209121 ?-? 2.260 9.496 4.80e+06 ga 228799 ?-? 6.721 9.116 4.77e+06 ga 292020 ?-? 5.258 -0.256 4.77e+06 ga 310523 ?-? 1.720 8.947 4.76e+06 ga 203794 ?-? 1.455 7.979 4.76e+06 ga 286599 ?-? 2.011 8.739 4.72e+06 ga 225030 ?-? 0.402 11.313 4.69e+06 ga 211058 ?-? 4.059 8.826 4.65e+06 ga 234259 ?-? 6.541 0.472 4.56e+06 ga 294825 ?-? 4.008 8.950 4.51e+06 ga 225156 ?-? 4.262 9.184 4.49e+06 ga 286562 ?-? 2.681 6.591 4.47e+06 ga 223349 ?-? 1.731 6.597 4.45e+06 ga 271232 ?-? 4.755 7.187 4.32e+06 ga 274741 ?-? 2.918 6.778 4.31e+06 ga 273760 ?-? -1.117 7.194 4.24e+06 ga 211947 ?-? 0.744 8.786 4.22e+06 ga 213484 ?-? 6.581 8.510 4.21e+06 ga 251871 ?-? 0.749 8.472 4.21e+06 ga 306786 ?-? 7.349 8.290 4.20e+06 ga 333973 ?-? 2.993 8.062 4.10e+06 ga 225684 ?-? 3.346 7.823 4.05e+06 ga 354007 ?-? 3.044 7.342 3.95e+06 ga 212864 ?-? 2.077 7.876 3.91e+06 ga 220004 ?-? 0.804 8.682 3.78e+06 ga 362166 ?-? 4.931 0.568 3.67e+06 ga 250145 ?-? 6.590 0.512 3.61e+06 ga 210516 ?-? 1.637 7.623 3.60e+06 ga 262755 ?-? 3.723 8.622 3.58e+06 ga 236867 ?-? 3.106 8.357 3.57e+06 ga 293707 ?-? 3.310 8.515 3.55e+06 ga 234915 ?-? 1.735 6.782 3.45e+06 ga 226396 ?-? 0.409 9.110 3.25e+06 ga 265793 ?-? 0.785 6.589 3.24e+06 ga 211611 ?-? 1.192 7.853 3.17e+06 ga 255879 ?-? 5.257 -0.157 2.95e+06 ga 209028 ?-? 1.717 7.390 2.87e+06 ga 244161 ?-? 6.533 0.569 2.78e+06 ga 222783 ?-? 3.716 6.728 2.74e+06 ga 218749 ?-? 6.552 8.515 2.32e+06 ga 205023 ?-? 0.739 6.796 2.30e+06 ga 246915 ?-? 4.449 0.790 2.16e+06 ga 197448 ; 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' 16 ppm . . . 4.67 . . 31118 1 2 . . H 1 H . 'not observed' 16 ppm . . . 4.67 . . 31118 1 stop_ save_