data_30864 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30864 _Entry.Title ; D-Phenylseptin - The second residue of PHE of the peptide is a D-amino acid ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-02-18 _Entry.Accession_date 2021-02-18 _Entry.Last_release_date 2022-11-21 _Entry.Original_release_date 2022-11-21 _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 V. Munhoz V. H.O. . . 30864 2 R. Verly R. M. . . 30864 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ANTIBIOTIC . 30864 'Antimicrobial peptide' . 30864 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30864 spectral_peak_list 1 30864 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 29 30864 '1H chemical shifts' 95 30864 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 . . 2022-11-28 . original BMRB . 30864 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7LSP 'BMRB Entry Tracking System' 30864 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30864 _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 ; NMR structure of D-Phenylseptin in DPC-d38. ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _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 V. Munhoz V. H.O. . . 30864 1 2 R. Verly R. M. . . 30864 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30864 _Assembly.ID 1 _Assembly.Name D-Phenylseptin _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 . . . . . . 30864 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30864 _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 ; FXFDTLKNLAGKVIGALT ; _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 18 _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 1957.316 _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 . PHE . 30864 1 2 . DPN . 30864 1 3 . PHE . 30864 1 4 . ASP . 30864 1 5 . THR . 30864 1 6 . LEU . 30864 1 7 . LYS . 30864 1 8 . ASN . 30864 1 9 . LEU . 30864 1 10 . ALA . 30864 1 11 . GLY . 30864 1 12 . LYS . 30864 1 13 . VAL . 30864 1 14 . ILE . 30864 1 15 . GLY . 30864 1 16 . ALA . 30864 1 17 . LEU . 30864 1 18 . THR . 30864 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 . PHE 1 1 30864 1 . DPN 2 2 30864 1 . PHE 3 3 30864 1 . ASP 4 4 30864 1 . THR 5 5 30864 1 . LEU 6 6 30864 1 . LYS 7 7 30864 1 . ASN 8 8 30864 1 . LEU 9 9 30864 1 . ALA 10 10 30864 1 . GLY 11 11 30864 1 . LYS 12 12 30864 1 . VAL 13 13 30864 1 . ILE 14 14 30864 1 . GLY 15 15 30864 1 . ALA 16 16 30864 1 . LEU 17 17 30864 1 . THR 18 18 30864 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 30864 _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 . 2499473 organism . 'Boana punctata' 'polka-dot treefrog' . . Eukaryota Metazoa Boana punctata . . . . . . . . . . . . . 30864 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 30864 _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' . . . . . . . . . . . . . . . . 30864 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_DPN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DPN _Chem_comp.Entry_ID 30864 _Chem_comp.ID DPN _Chem_comp.Provenance PDB _Chem_comp.Name D-PHENYLALANINE _Chem_comp.Type 'D-PEPTIDE LINKING' _Chem_comp.BMRB_code DPN _Chem_comp.PDB_code DPN _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 F _Chem_comp.Three_letter_code DPN _Chem_comp.Number_atoms_all 23 _Chem_comp.Number_atoms_nh 12 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C9 H11 N O2' _Chem_comp.Formula_weight 165.189 _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 . _Chem_comp.Processing_site EBI _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 COLNVLDHVKWLRT-MRVPVSSYSA-N InChIKey InChI 1.03 30864 DPN InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1 InChI InChI 1.03 30864 DPN N[C@H](Cc1ccccc1)C(O)=O SMILES_CANONICAL CACTVS 3.370 30864 DPN N[CH](Cc1ccccc1)C(O)=O SMILES CACTVS 3.370 30864 DPN O=C(O)C(N)Cc1ccccc1 SMILES ACDLabs 12.01 30864 DPN c1ccc(cc1)CC(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.7.6 30864 DPN c1ccc(cc1)C[C@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 30864 DPN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2R)-2-azanyl-3-phenyl-propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 30864 DPN D-phenylalanine 'SYSTEMATIC NAME' ACDLabs 12.01 30864 DPN 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 . . . . 34.692 . 5.147 . 11.886 . -1.074 1.447 0.824 1 . 30864 DPN CA CA CA CA . C . . R 0 . . . 1 N N . . . . 34.648 . 5.692 . 10.509 . -1.289 0.054 0.411 2 . 30864 DPN C C C C . C . . N 0 . . . 1 N N . . . . 33.882 . 7.017 . 10.467 . -2.740 -0.147 0.057 3 . 30864 DPN O O O O . O . . N 0 . . . 1 N N . . . . 33.561 . 7.596 . 11.514 . -3.434 0.805 -0.213 4 . 30864 DPN OXT OXT OXT OXT . O . . N 0 . . . 1 N Y . . . . 33.600 . 7.485 . 9.254 . -3.263 -1.383 0.041 5 . 30864 DPN CB CB CB CB . C . . N 0 . . . 1 N N . . . . 36.067 . 5.886 . 9.998 . -0.419 -0.257 -0.809 6 . 30864 DPN CG CG CG CG . C . . N 0 . . . 1 Y N . . . . 36.930 . 6.703 . 10.909 . 1.035 -0.176 -0.422 7 . 30864 DPN CD1 CD1 CD1 CD1 . C . . N 0 . . . 1 Y N . . . . 37.767 . 6.083 . 11.827 . 1.690 -1.300 0.042 8 . 30864 DPN CD2 CD2 CD2 CD2 . C . . N 0 . . . 1 Y N . . . . 36.921 . 8.095 . 10.838 . 1.715 1.023 -0.537 9 . 30864 DPN CE1 CE1 CE1 CE1 . C . . N 0 . . . 1 Y N . . . . 38.584 . 6.833 . 12.661 . 3.024 -1.226 0.397 10 . 30864 DPN CE2 CE2 CE2 CE2 . C . . N 0 . . . 1 Y N . . . . 37.732 . 8.857 . 11.666 . 3.049 1.097 -0.183 11 . 30864 DPN CZ CZ CZ CZ . C . . N 0 . . . 1 Y N . . . . 38.566 . 8.224 . 12.578 . 3.703 -0.027 0.287 12 . 30864 DPN H H H H . H . . N 0 . . . 1 N N . . . . 35.196 . 4.284 . 11.887 . -1.317 2.086 0.082 13 . 30864 DPN H2 H2 H2 HN2 . H . . N 0 . . . 1 N Y . . . . 35.149 . 5.801 . 12.489 . -1.589 1.658 1.666 14 . 30864 DPN HA HA HA HA . H . . N 0 . . . 1 N N . . . . 34.135 . 4.973 . 9.854 . -1.019 -0.614 1.229 15 . 30864 DPN HXT HXT HXT HXT . H . . N 0 . . . 1 N Y . . . . 33.129 . 8.306 . 9.333 . -4.198 -1.462 -0.192 16 . 30864 DPN HB2 HB2 HB2 HB1 . H . . N 0 . . . 1 N N . . . . 36.530 . 4.896 . 9.877 . -0.644 -1.260 -1.170 17 . 30864 DPN HB3 HB3 HB3 HB2 . H . . N 0 . . . 1 N N . . . . 36.018 . 6.390 . 9.022 . -0.627 0.468 -1.597 18 . 30864 DPN HD1 HD1 HD1 HD1 . H . . N 0 . . . 1 N N . . . . 37.782 . 5.005 . 11.893 . 1.160 -2.237 0.128 19 . 30864 DPN HD2 HD2 HD2 HD2 . H . . N 0 . . . 1 N N . . . . 36.273 . 8.587 . 10.128 . 1.204 1.900 -0.905 20 . 30864 DPN HE1 HE1 HE1 HE1 . H . . N 0 . . . 1 N N . . . . 39.231 . 6.341 . 13.372 . 3.536 -2.105 0.761 21 . 30864 DPN HE2 HE2 HE2 HE2 . H . . N 0 . . . 1 N N . . . . 37.715 . 9.935 . 11.602 . 3.581 2.033 -0.273 22 . 30864 DPN HZ HZ HZ HZ . H . . N 0 . . . 1 N N . . . . 39.202 . 8.811 . 13.224 . 4.745 0.031 0.564 23 . 30864 DPN 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 . 30864 DPN 2 . SING N H N N 2 . 30864 DPN 3 . SING N H2 N N 3 . 30864 DPN 4 . SING CA C N N 4 . 30864 DPN 5 . SING CA CB N N 5 . 30864 DPN 6 . SING CA HA N N 6 . 30864 DPN 7 . DOUB C O N N 7 . 30864 DPN 8 . SING C OXT N N 8 . 30864 DPN 9 . SING OXT HXT N N 9 . 30864 DPN 10 . SING CB CG N N 10 . 30864 DPN 11 . SING CB HB2 N N 11 . 30864 DPN 12 . SING CB HB3 N N 12 . 30864 DPN 13 . DOUB CG CD1 Y N 13 . 30864 DPN 14 . SING CG CD2 Y N 14 . 30864 DPN 15 . SING CD1 CE1 Y N 15 . 30864 DPN 16 . SING CD1 HD1 N N 16 . 30864 DPN 17 . DOUB CD2 CE2 Y N 17 . 30864 DPN 18 . SING CD2 HD2 N N 18 . 30864 DPN 19 . DOUB CE1 CZ Y N 19 . 30864 DPN 20 . SING CE1 HE1 N N 20 . 30864 DPN 21 . SING CE2 CZ Y N 21 . 30864 DPN 22 . SING CE2 HE2 N N 22 . 30864 DPN 23 . SING CZ HZ N N 23 . 30864 DPN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30864 _Sample.ID 1 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details '2 mM D-Phenylseptin, 200 mM [U-100% 2H] Dodecylphosphocholine, 5 uM 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 D-Phenylseptin 'natural abundance' . . 1 $entity_1 . . 2 . . mM . . . . 30864 1 2 Dodecylphosphocholine '[U-100% 2H]' . . . . . . 200 . . mM . . . . 30864 1 3 DSS 'natural abundance' . . . . . . 5 . . uM . . . . 30864 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 30864 _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' 0 . 'Not defined' 30864 1 pH 6.0 . pH 30864 1 pressure 1 . atm 30864 1 temperature 298 . K 30864 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30864 _Software.ID 1 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30864 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30864 1 'structure calculation' . 30864 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30864 _Software.ID 2 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30864 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30864 2 'peak picking' . 30864 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30864 _Software.ID 3 _Software.Type . _Software.Name QUEEN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Nabuurs, Spronk, Krieger, Maassen, Vriend and Vuister' . . 30864 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 30864 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 30864 _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 800 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 30864 _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' . 800 . . . 30864 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 30864 _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 . . . . . . . . . . . . . . . . . 30864 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30864 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30864 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 30864 _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 C 13 DSS 'methyl carbons' . . . . ppm 0 internal direct 1.0 . . . . . 30864 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . 30864 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 30864 _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' . . . 30864 1 2 '2D 1H-1H NOESY' . . . 30864 1 3 '2D 1H-13C HSQC' . . . 30864 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 PHE HA H 1 4.243 0.0 . 1 . . . . A 1 PHE HA . 30864 1 2 . 1 . 1 1 1 PHE HB2 H 1 3.162 0.0 . 1 . . . . A 1 PHE HB2 . 30864 1 3 . 1 . 1 1 1 PHE HB3 H 1 3.131 0.0 . 1 . . . . A 1 PHE HB3 . 30864 1 4 . 1 . 1 1 1 PHE HD1 H 1 7.365 0.0 . 1 . . . . A 1 PHE HD1 . 30864 1 5 . 1 . 1 1 1 PHE HE1 H 1 7.304 0.0 . 1 . . . . A 1 PHE HE1 . 30864 1 6 . 1 . 1 1 1 PHE CA C 13 56.854 0.0 . 1 . . . . A 1 PHE CA . 30864 1 7 . 1 . 1 1 1 PHE CB C 13 39.638 0.0 . 1 . . . . A 1 PHE CB . 30864 1 8 . 1 . 1 2 2 DPN H H 1 7.771 0.0 . 1 . . . . A 2 DPN H . 30864 1 9 . 1 . 1 2 2 DPN CB C 13 41.516 0.0 . 1 . . . . A 2 DPN CB . 30864 1 10 . 1 . 1 2 2 DPN HA H 1 5.635 0.0 . 1 . . . . A 2 DPN HA . 30864 1 11 . 1 . 1 2 2 DPN HB2 H 1 2.389 0.0 . 1 . . . . A 2 DPN HB2 . 30864 1 12 . 1 . 1 2 2 DPN HB3 H 1 2.36 0.0 . 1 . . . . A 2 DPN HB3 . 30864 1 13 . 1 . 1 2 2 DPN HD1 H 1 6.783 0.0 . 1 . . . . A 2 DPN HD1 . 30864 1 14 . 1 . 1 2 2 DPN HE1 H 1 7.076 0.0 . 1 . . . . A 2 DPN HE1 . 30864 1 15 . 1 . 1 3 3 PHE H H 1 9.253 0.0 . 1 . . . . A 3 PHE H . 30864 1 16 . 1 . 1 3 3 PHE HA H 1 3.871 0.0 . 1 . . . . A 3 PHE HA . 30864 1 17 . 1 . 1 3 3 PHE HB2 H 1 2.911 0.0 . 1 . . . . A 3 PHE HB2 . 30864 1 18 . 1 . 1 3 3 PHE HB3 H 1 2.875 0.0 . 1 . . . . A 3 PHE HB3 . 30864 1 19 . 1 . 1 3 3 PHE HD1 H 1 7.09 0.0 . 1 . . . . A 3 PHE HD1 . 30864 1 20 . 1 . 1 3 3 PHE HE1 H 1 7.199 0.0 . 1 . . . . A 3 PHE HE1 . 30864 1 21 . 1 . 1 3 3 PHE CA C 13 61.546 0.0 . 1 . . . . A 3 PHE CA . 30864 1 22 . 1 . 1 3 3 PHE CB C 13 38.48 0.0 . 1 . . . . A 3 PHE CB . 30864 1 23 . 1 . 1 4 4 ASP H H 1 8.479 0.0 . 1 . . . . A 4 ASP H . 30864 1 24 . 1 . 1 4 4 ASP HA H 1 4.152 0.0 . 1 . . . . A 4 ASP HA . 30864 1 25 . 1 . 1 4 4 ASP HB2 H 1 2.658 0.0 . 1 . . . . A 4 ASP HB2 . 30864 1 26 . 1 . 1 4 4 ASP HB3 H 1 2.615 0.0 . 1 . . . . A 4 ASP HB3 . 30864 1 27 . 1 . 1 4 4 ASP CA C 13 56.925 0.0 . 1 . . . . A 4 ASP CA . 30864 1 28 . 1 . 1 4 4 ASP CB C 13 38.368 0.0 . 1 . . . . A 4 ASP CB . 30864 1 29 . 1 . 1 5 5 THR H H 1 7.66 0.0 . 1 . . . . A 5 THR H . 30864 1 30 . 1 . 1 5 5 THR HA H 1 3.982 0.0 . 1 . . . . A 5 THR HA . 30864 1 31 . 1 . 1 5 5 THR HB H 1 4.044 0.0 . 1 . . . . A 5 THR HB . 30864 1 32 . 1 . 1 5 5 THR HG21 H 1 1.334 0.0 . 1 . . . . A 5 THR HG21 . 30864 1 33 . 1 . 1 5 5 THR HG22 H 1 1.334 0.0 . 1 . . . . A 5 THR HG22 . 30864 1 34 . 1 . 1 5 5 THR HG23 H 1 1.334 0.0 . 1 . . . . A 5 THR HG23 . 30864 1 35 . 1 . 1 5 5 THR CA C 13 66.054 0.0 . 1 . . . . A 5 THR CA . 30864 1 36 . 1 . 1 5 5 THR CB C 13 68.915 0.0 . 1 . . . . A 5 THR CB . 30864 1 37 . 1 . 1 6 6 LEU H H 1 7.503 0.0 . 1 . . . . A 6 LEU H . 30864 1 38 . 1 . 1 6 6 LEU HA H 1 3.971 0.0 . 1 . . . . A 6 LEU HA . 30864 1 39 . 1 . 1 6 6 LEU HB2 H 1 1.801 0.0 . 1 . . . . A 6 LEU HB2 . 30864 1 40 . 1 . 1 6 6 LEU HB3 H 1 1.74 0.0 . 1 . . . . A 6 LEU HB3 . 30864 1 41 . 1 . 1 6 6 LEU HG H 1 1.493 0.0 . 1 . . . . A 6 LEU HG . 30864 1 42 . 1 . 1 6 6 LEU HD11 H 1 0.944 0.0 . 1 . . . . A 6 LEU HD11 . 30864 1 43 . 1 . 1 6 6 LEU HD12 H 1 0.944 0.0 . 2 . . . . A 6 LEU HD12 . 30864 1 44 . 1 . 1 6 6 LEU HD13 H 1 0.944 0.0 . 2 . . . . A 6 LEU HD13 . 30864 1 45 . 1 . 1 6 6 LEU HD21 H 1 0.865 0.0 . 1 . . . . A 6 LEU HD21 . 30864 1 46 . 1 . 1 6 6 LEU HD22 H 1 0.865 0.0 . 2 . . . . A 6 LEU HD22 . 30864 1 47 . 1 . 1 6 6 LEU HD23 H 1 0.865 0.0 . 2 . . . . A 6 LEU HD23 . 30864 1 48 . 1 . 1 6 6 LEU CA C 13 57.93 0.0 . 1 . . . . A 6 LEU CA . 30864 1 49 . 1 . 1 7 7 LYS H H 1 8.254 0.0 . 1 . . . . A 7 LYS H . 30864 1 50 . 1 . 1 7 7 LYS HA H 1 3.781 0.0 . 1 . . . . A 7 LYS HA . 30864 1 51 . 1 . 1 7 7 LYS HB2 H 1 1.735 0.0 . 1 . . . . A 7 LYS HB2 . 30864 1 52 . 1 . 1 7 7 LYS CA C 13 60.459 0.0 . 1 . . . . A 7 LYS CA . 30864 1 53 . 1 . 1 7 7 LYS CB C 13 32.168 0.0 . 1 . . . . A 7 LYS CB . 30864 1 54 . 1 . 1 8 8 ASN H H 1 8.149 0.0 . 1 . . . . A 8 ASN H . 30864 1 55 . 1 . 1 8 8 ASN HA H 1 4.497 0.0 . 1 . . . . A 8 ASN HA . 30864 1 56 . 1 . 1 8 8 ASN HB2 H 1 2.874 0.0 . 1 . . . . A 8 ASN HB2 . 30864 1 57 . 1 . 1 8 8 ASN HB3 H 1 2.876 0.0 . 1 . . . . A 8 ASN HB3 . 30864 1 58 . 1 . 1 8 8 ASN HD21 H 1 7.748 0.0 . 1 . . . . A 8 ASN HD21 . 30864 1 59 . 1 . 1 8 8 ASN HD22 H 1 6.918 0.0 . 1 . . . . A 8 ASN HD22 . 30864 1 60 . 1 . 1 8 8 ASN CA C 13 55.948 0.0 . 1 . . . . A 8 ASN CA . 30864 1 61 . 1 . 1 8 8 ASN CB C 13 38.399 0.0 . 1 . . . . A 8 ASN CB . 30864 1 62 . 1 . 1 9 9 LEU H H 1 8.216 0.0 . 1 . . . . A 9 LEU H . 30864 1 63 . 1 . 1 9 9 LEU HA H 1 4.102 0.0 . 1 . . . . A 9 LEU HA . 30864 1 64 . 1 . 1 9 9 LEU HB2 H 1 1.704 0.0 . 1 . . . . A 9 LEU HB2 . 30864 1 65 . 1 . 1 9 9 LEU HB3 H 1 1.713 0.0 . 1 . . . . A 9 LEU HB3 . 30864 1 66 . 1 . 1 9 9 LEU HD21 H 1 0.902 0.0 . 1 . . . . A 9 LEU HD21 . 30864 1 67 . 1 . 1 9 9 LEU HD22 H 1 0.902 0.0 . 2 . . . . A 9 LEU HD22 . 30864 1 68 . 1 . 1 9 9 LEU HD23 H 1 0.902 0.0 . 2 . . . . A 9 LEU HD23 . 30864 1 69 . 1 . 1 9 9 LEU CA C 13 58.031 0.0 . 1 . . . . A 9 LEU CA . 30864 1 70 . 1 . 1 9 9 LEU CB C 13 42.091 0.0 . 1 . . . . A 9 LEU CB . 30864 1 71 . 1 . 1 10 10 ALA H H 1 8.551 0.0 . 1 . . . . A 10 ALA H . 30864 1 72 . 1 . 1 10 10 ALA HA H 1 3.937 0.0 . 1 . . . . A 10 ALA HA . 30864 1 73 . 1 . 1 10 10 ALA HB1 H 1 1.499 0.0 . 1 . . . . A 10 ALA HB1 . 30864 1 74 . 1 . 1 10 10 ALA HB2 H 1 1.499 0.0 . 1 . . . . A 10 ALA HB2 . 30864 1 75 . 1 . 1 10 10 ALA HB3 H 1 1.499 0.0 . 1 . . . . A 10 ALA HB3 . 30864 1 76 . 1 . 1 10 10 ALA CA C 13 55.605 0.0 . 1 . . . . A 10 ALA CA . 30864 1 77 . 1 . 1 10 10 ALA CB C 13 18.268 0.0 . 1 . . . . A 10 ALA CB . 30864 1 78 . 1 . 1 11 11 GLY H H 1 8.21 0.0 . 1 . . . . A 11 GLY H . 30864 1 79 . 1 . 1 11 11 GLY HA2 H 1 3.812 0.0 . 1 . . . . A 11 GLY HA2 . 30864 1 80 . 1 . 1 11 11 GLY HA3 H 1 3.775 0.0 . 1 . . . . A 11 GLY HA3 . 30864 1 81 . 1 . 1 11 11 GLY CA C 13 47.432 0.0 . 1 . . . . A 11 GLY CA . 30864 1 82 . 1 . 1 12 12 LYS H H 1 7.811 0.0 . 1 . . . . A 12 LYS H . 30864 1 83 . 1 . 1 12 12 LYS HA H 1 4.227 0.0 . 1 . . . . A 12 LYS HA . 30864 1 84 . 1 . 1 12 12 LYS HB2 H 1 1.921 0.0 . 1 . . . . A 12 LYS HB2 . 30864 1 85 . 1 . 1 12 12 LYS CA C 13 58.752 0.0 . 1 . . . . A 12 LYS CA . 30864 1 86 . 1 . 1 12 12 LYS CB C 13 32.687 0.0 . 1 . . . . A 12 LYS CB . 30864 1 87 . 1 . 1 13 13 VAL H H 1 8.079 0.0 . 1 . . . . A 13 VAL H . 30864 1 88 . 1 . 1 13 13 VAL HA H 1 3.66 0.0 . 1 . . . . A 13 VAL HA . 30864 1 89 . 1 . 1 13 13 VAL HB H 1 2.239 0.0 . 1 . . . . A 13 VAL HB . 30864 1 90 . 1 . 1 13 13 VAL HG11 H 1 0.94 0.0 . 1 . . . . A 13 VAL HG11 . 30864 1 91 . 1 . 1 13 13 VAL HG12 H 1 0.94 0.0 . 2 . . . . A 13 VAL HG12 . 30864 1 92 . 1 . 1 13 13 VAL HG13 H 1 0.94 0.0 . 2 . . . . A 13 VAL HG13 . 30864 1 93 . 1 . 1 13 13 VAL HG21 H 1 1.014 0.0 . 1 . . . . A 13 VAL HG21 . 30864 1 94 . 1 . 1 13 13 VAL HG22 H 1 1.014 0.0 . 2 . . . . A 13 VAL HG22 . 30864 1 95 . 1 . 1 13 13 VAL HG23 H 1 1.014 0.0 . 2 . . . . A 13 VAL HG23 . 30864 1 96 . 1 . 1 13 13 VAL CA C 13 66.744 0.0 . 1 . . . . A 13 VAL CA . 30864 1 97 . 1 . 1 14 14 ILE H H 1 8.469 0.0 . 1 . . . . A 14 ILE H . 30864 1 98 . 1 . 1 14 14 ILE HA H 1 3.701 0.0 . 1 . . . . A 14 ILE HA . 30864 1 99 . 1 . 1 14 14 ILE HB H 1 1.957 0.0 . 1 . . . . A 14 ILE HB . 30864 1 100 . 1 . 1 14 14 ILE HG12 H 1 1.736 0.0 . 1 . . . . A 14 ILE HG12 . 30864 1 101 . 1 . 1 14 14 ILE HG21 H 1 1.186 0.0 . 1 . . . . A 14 ILE HG21 . 30864 1 102 . 1 . 1 14 14 ILE HG22 H 1 1.186 0.0 . 1 . . . . A 14 ILE HG22 . 30864 1 103 . 1 . 1 14 14 ILE HG23 H 1 1.186 0.0 . 1 . . . . A 14 ILE HG23 . 30864 1 104 . 1 . 1 14 14 ILE HD11 H 1 0.91 0.0 . 1 . . . . A 14 ILE HD11 . 30864 1 105 . 1 . 1 14 14 ILE HD12 H 1 0.91 0.0 . 1 . . . . A 14 ILE HD12 . 30864 1 106 . 1 . 1 14 14 ILE HD13 H 1 0.91 0.0 . 1 . . . . A 14 ILE HD13 . 30864 1 107 . 1 . 1 14 14 ILE CA C 13 65.075 0.0 . 1 . . . . A 14 ILE CA . 30864 1 108 . 1 . 1 14 14 ILE CB C 13 37.798 0.0 . 1 . . . . A 14 ILE CB . 30864 1 109 . 1 . 1 15 15 GLY H H 1 8.27 0.0 . 1 . . . . A 15 GLY H . 30864 1 110 . 1 . 1 15 15 GLY HA2 H 1 3.843 0.0 . 1 . . . . A 15 GLY HA2 . 30864 1 111 . 1 . 1 15 15 GLY HA3 H 1 3.816 0.0 . 1 . . . . A 15 GLY HA3 . 30864 1 112 . 1 . 1 15 15 GLY CA C 13 47.057 0.0 . 1 . . . . A 15 GLY CA . 30864 1 113 . 1 . 1 16 16 ALA HA H 1 4.281 0.0 . 1 . . . . A 16 ALA HA . 30864 1 114 . 1 . 1 16 16 ALA HB1 H 1 1.557 0.0 . 1 . . . . A 16 ALA HB1 . 30864 1 115 . 1 . 1 16 16 ALA HB2 H 1 1.557 0.0 . 1 . . . . A 16 ALA HB2 . 30864 1 116 . 1 . 1 16 16 ALA HB3 H 1 1.557 0.0 . 1 . . . . A 16 ALA HB3 . 30864 1 117 . 1 . 1 16 16 ALA CA C 13 54.182 0.0 . 1 . . . . A 16 ALA CA . 30864 1 118 . 1 . 1 16 16 ALA CB C 13 18.889 0.0 . 1 . . . . A 16 ALA CB . 30864 1 119 . 1 . 1 17 17 LEU HA H 1 4.268 0.0 . 1 . . . . A 17 LEU HA . 30864 1 120 . 1 . 1 17 17 LEU HB3 H 1 1.63 0.0 . 1 . . . . A 17 LEU HB3 . 30864 1 121 . 1 . 1 17 17 LEU CA C 13 56.302 0.0 . 1 . . . . A 17 LEU CA . 30864 1 122 . 1 . 1 17 17 LEU CB C 13 43.147 0.0 . 1 . . . . A 17 LEU CB . 30864 1 123 . 1 . 1 18 18 THR H H 1 7.768 0.0 . 1 . . . . A 18 THR H . 30864 1 124 . 1 . 1 18 18 THR HA H 1 4.326 0.0 . 1 . . . . A 18 THR HA . 30864 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 30864 _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 2 _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 ; label dataset sw sf 1Hx 1Hy noesy_Hp1954_DPC.nv {9615.38 } {9615.38 } {800.4040 } {800.4040 } 1Hx.L 1Hx.P 1Hx.W 1Hx.B 1Hx.E 1Hx.J 1Hx.U 1Hy.L 1Hy.P 1Hy.W 1Hy.B 1Hy.E 1Hy.J 1Hy.U vol int stat comment flag0 0 {?} 8.657 0.015 0.025 ++ 0.000 {?} {?} 2.217 0.043 0.072 ++ 0.000 {?} 0.00000 39.21430 -1 {?} 0 1 {15.HN} 8.287 0.038 0.054 ++ 0.000 {?} {15.HA2} 3.830 0.055 0.086 ++ 0.000 {?} 29.04000 29.04000 0 {?} 0 2 {15.HN} 8.292 0.039 0.053 ++ 0.000 {?} {15.HA1} 3.932 0.056 0.090 ++ 0.000 {?} 32.15640 32.15640 0 {?} 0 3 {11.HN} 8.218 0.046 0.052 ++ 0.000 {?} {11.HA2} 3.772 0.074 0.103 ++ 0.000 {?} 29.21430 29.21430 0 {?} 0 4 {11.HN} 8.212 0.030 0.050 ++ 0.000 {?} {11.HA1} 4.072 0.051 0.091 ++ 0.000 {?} 37.06960 37.06960 0 {?} 0 5 {13.HN} 8.063 0.026 0.052 ++ 0.000 {?} {12.HN} 7.802 0.048 0.078 ++ 0.000 {?} 33.51610 33.51610 0 {?} 0 6 {9.HN} 8.252 0.030 0.045 ++ 0.000 {?} {8.HN} 7.988 0.053 0.078 ++ 0.000 {?} 26.90130 26.90130 0 {?} 0 7 {15.HN} 8.285 0.035 0.054 ++ 0.000 {?} {16.HN} 7.766 0.048 0.080 ++ 0.000 {?} 34.04350 34.04350 0 {?} 0 8 {17.HN} 8.467 0.011 0.016 ++ 0.000 {?} {18.HN} 7.631 0.024 0.035 ++ 0.000 {?} 23.65870 23.65870 -1 {?} 0 9 {17.HN} 7.866 0.018 0.035 ++ 0.000 {?} {16.HN} 7.760 0.031 0.052 ++ 0.000 {?} 33.22470 33.22470 0 {?} 0 10 {10.HN} 8.611 0.021 0.054 ++ 0.000 {?} {11.HN} 8.228 0.049 0.069 ++ 0.000 {?} 22.62790 22.62790 0 {?} 0 11 {10.HN} 8.611 0.032 0.058 ++ 0.000 {?} {9.HN} 8.264 0.030 0.051 ++ 0.000 {?} 39.22330 39.22330 0 {?} 0 12 {14.HN} 8.454 0.043 0.066 ++ 0.000 {?} {13.HN} 8.069 0.048 0.080 ++ 0.000 {?} 34.04350 34.04350 0 {?} 0 13 {15.HN} 8.289 0.045 0.062 ++ 0.000 {?} {14.HN} 8.462 0.053 0.079 ++ 0.000 {?} 24.88830 24.88830 0 {?} 0 14 {13.HN} 8.066 0.045 0.064 ++ 0.000 {?} {14.HN} 8.461 0.042 0.090 ++ 0.000 {?} 29.56710 29.56710 0 {?} 0 15 {9.HN} 8.259 0.030 0.053 ++ 0.000 {?} {10.HN} 8.616 0.045 0.071 ++ 0.000 {?} 33.17110 33.17110 0 {?} 0 16 {11.HN} 8.221 0.037 0.051 ++ 0.000 {?} {10.HN} 8.616 0.063 0.091 ++ 0.000 {?} 24.11600 24.11600 0 {?} 0 17 {11.HN} 8.224 0.038 0.053 ++ 0.000 {?} {12.HN} 7.808 0.060 0.086 ++ 0.000 {?} 22.33940 22.33940 0 {?} 0 18 {16.HN} 7.762 0.038 0.052 ++ 0.000 {?} {15.HN} 8.292 0.066 0.092 ++ 0.000 {?} 21.73960 21.73960 0 {?} 0 19 {16.HN} 7.760 0.023 0.042 ++ 0.000 {?} {17.HN} 7.879 0.032 0.054 ++ 0.000 {?} 36.44830 36.44830 0 {?} 0 20 {8.HN} 7.982 0.045 0.071 ++ 0.000 {?} {9.HN} 8.262 0.060 0.094 ++ 0.000 {?} 30.13960 30.13960 0 {?} 0 21 {?} 7.626 0.010 0.051 ++ 0.000 {?} {?} 8.735 0.031 0.049 ++ 0.000 {?} 30.28250 30.28250 -1 {?} 0 22 {12.HN} 7.802 0.040 0.061 ++ 0.000 {?} {11.HN} 8.236 0.072 0.093 ++ 0.000 {?} 19.41640 19.41640 0 {?} 0 23 {5.HN} 7.868 0.011 0.022 ++ 0.000 {?} {4.HN} 7.273 0.037 0.066 ++ 0.000 {?} 44.55700 44.55700 -1 {?} 0 24 {?} 7.810 0.011 0.022 ++ 0.000 {?} {?} 8.154 0.037 0.066 ++ 0.000 {?} 0.00000 44.55700 -1 {?} 0 25 {12.HN} 7.803 0.029 0.058 ++ 0.000 {?} {13.HN} 8.072 0.048 0.086 ++ 0.000 {?} 44.55700 44.55700 0 {?} 0 26 {14.HN} 8.457 0.018 0.043 ++ 0.000 {?} {15.HN} 8.288 0.052 0.072 ++ 0.000 {?} 34.04350 34.04350 0 {?} 0 27 {?} 7.846 0.006 0.009 ++ 0.000 {?} {?} 7.126 0.027 0.036 ++ 0.000 {?} 20.42290 20.42290 -1 {?} 0 28 {14.HN} 8.456 0.026 0.064 ++ 0.000 {?} {14.HA} 3.685 0.034 0.074 ++ 0.000 {?} 31.87130 31.87130 0 {?} 0 29 {10.HN} 8.614 0.018 0.059 ++ 0.000 {?} {10.HA} 3.910 0.060 0.081 ++ 0.000 {?} 36.99080 36.99080 0 {?} 0 30 {17.HN} 7.858 0.020 0.047 ++ 0.000 {?} {17.HA} 4.258 0.040 0.091 ++ 0.000 {?} 36.72770 36.72770 0 {?} 0 31 {9.HN} 8.254 0.031 0.064 ++ 0.000 {?} {9.HA} 4.081 0.045 0.067 ++ 0.000 {?} 26.30900 26.30900 0 {?} 0 32 {13.HN} 8.066 0.023 0.051 ++ 0.000 {?} {13.HA} 3.656 0.044 0.081 ++ 0.000 {?} 29.43410 29.43410 0 {?} 0 33 {16.HN} 7.761 0.023 0.056 ++ 0.000 {?} {16.HA} 4.264 0.062 0.091 ++ 0.000 {?} 31.54890 31.54890 0 {?} 0 34 {?} 8.223 0.010 0.064 ++ 0.000 {?} {?} 4.967 0.036 0.073 ++ 0.000 {?} 15.04020 15.04020 -1 {?} 0 35 {8.HN} 7.983 0.035 0.053 ++ 0.000 {?} {8.HA} 4.473 0.046 0.078 ++ 0.000 {?} 16.59230 16.59230 0 {?} 0 36 {12.HN} 7.802 0.019 0.056 ++ 0.000 {?} {12.HA} 4.197 0.060 0.076 ++ 0.000 {?} 33.93160 33.93160 0 {?} 0 37 {5.HN} 7.901 0.023 0.057 ++ 0.000 {?} {5.HB} 3.974 0.051 0.079 ++ 0.000 {?} 33.93160 33.93160 0 {?} 0 38 {12.HN} 7.804 0.015 0.029 ++ 0.000 {?} {11.HA1} 3.915 0.038 0.054 ++ 0.000 {?} 33.93160 33.93160 0 {?} 0 39 {14.HN} 8.443 0.014 0.016 ++ 0.000 {?} {13.HA} 3.569 0.023 0.032 ++ 0.000 {?} 8.84750 8.84750 -1 {?} 0 40 {14.HN} 8.457 0.039 0.047 ++ 0.000 {?} {10.HA} 3.921 0.067 0.085 ++ 0.000 {?} 7.42150 7.42150 0 {?} 0 41 {10.HN} 8.611 0.034 0.051 ++ 0.000 {?} {9.HA} 4.083 0.089 0.083 ++ 0.000 {?} 6.88860 6.88860 0 {?} 0 42 {10.HN} 8.613 0.031 0.045 ++ 0.000 {?} {7.HA} 3.744 0.130 0.076 ++ 0.000 {?} 36.99080 36.99080 0 {?} 0 43 {17.HN} 7.867 0.036 0.048 ++ 0.000 {?} {14.HA} 3.679 0.064 0.087 ++ 0.000 {?} 11.44610 11.44610 0 {?} 0 44 {15.HN} 8.287 0.032 0.045 ++ 0.000 {?} {12.HA} 4.200 0.075 0.067 ++ 0.000 {?} 6.70170 6.70170 0 {?} 0 45 {13.HN} 8.067 0.028 0.040 ++ 0.000 {?} {12.HA} 4.196 0.052 0.073 ++ 0.000 {?} 13.00570 13.00570 0 {?} 0 46 {13.HN} 8.068 0.032 0.049 ++ 0.000 {?} {10.HA} 3.919 0.060 0.082 ++ 0.000 {?} 12.00690 12.00690 0 {?} 0 47 {9.HN} 8.256 0.012 0.041 ++ 0.000 {?} {8.HA} 4.472 0.038 0.083 ++ 0.000 {?} 5.29140 5.29140 0 {?} 0 48 {9.HN} 8.254 0.001 0.022 ++ 0.000 {?} {7.HA} 3.742 0.023 0.057 ++ 0.000 {?} 4.28750 4.28750 0 {?} 0 49 {11.HN} 8.224 0.047 0.039 ++ 0.000 {?} {10.HA} 3.923 0.022 0.073 ++ 0.000 {?} 6.60330 6.60330 0 {?} 0 50 {16.HN} 7.763 0.015 0.042 ++ 0.000 {?} {15.HA1} 3.931 0.081 0.084 ++ 0.000 {?} 7.81960 7.81960 0 {?} 0 51 {16.HN} 7.764 0.043 0.048 ++ 0.000 {?} {15.HA2} 3.827 0.079 0.084 ++ 0.000 {?} 7.74310 7.74310 0 {?} 0 52 {16.HN} 7.763 0.041 0.052 ++ 0.000 {?} {13.HA} 3.664 0.066 0.085 ++ 0.000 {?} 10.60930 10.60930 0 {?} 0 53 {8.HN} 7.984 0.034 0.051 ++ 0.000 {?} {7.HA} 3.742 0.044 0.078 ++ 0.000 {?} 16.63270 16.63270 0 {?} 0 54 {7.HN} 8.148 0.022 0.060 ++ 0.000 {?} {7.HA} 3.745 0.044 0.086 ++ 0.000 {?} 37.92000 37.92000 0 {?} 0 55 {?} 8.401 0.011 0.014 ++ 0.000 {?} {?} 4.133 0.040 0.051 ++ 0.000 {?} 9.93980 9.93980 -1 {?} 0 56 {4.HN} 7.274 0.011 0.019 ++ 0.000 {?} {5.HN} 7.870 0.035 0.056 ++ 0.000 {?} 16.18770 16.18770 -1 {?} 0 57 {3.HN} 8.808 0.041 0.059 ++ 0.000 {?} {3.HA} 4.117 0.068 0.097 ++ 0.000 {?} 13.50090 13.50090 0 {?} 0 58 {4.HN} 7.923 0.022 0.035 ++ 0.000 {?} {3.HA} 4.117 0.047 0.069 ++ 0.000 {?} 15.30590 15.30590 0 {?} 0 59 {4.HN} 7.917 0.038 0.059 ++ 0.000 {?} {4.HA} 4.303 0.043 0.071 ++ 0.000 {?} 19.52100 19.52100 0 {?} 0 60 {7.HN} 8.042 0.012 0.023 ++ 0.000 {?} {4.HA} 4.941 0.025 0.079 ++ 0.000 {?} 18.14060 18.14060 -1 {?} 0 61 {7.HN} 8.149 0.033 0.047 ++ 0.000 {?} {6.HA} 3.908 0.111 0.081 ++ 0.000 {?} 8.78260 8.78260 0 {?} 0 62 {6.HN} 8.022 0.029 0.045 ++ 0.000 {?} {6.HA} 3.910 0.061 0.091 ++ 0.000 {?} 21.87200 21.87200 0 {?} 0 63 {6.HN} 8.024 0.027 0.035 ++ 0.000 {?} {5.HB} 3.975 0.069 0.069 ++ 0.000 {?} 14.13590 14.13590 0 {?} 0 64 {5.HN} 7.904 0.040 0.058 ++ 0.000 {?} {5.HA} 4.203 0.052 0.080 ++ 0.000 {?} 23.61290 23.61290 0 {?} 0 65 {5.HN} 7.908 0.037 0.051 ++ 0.000 {?} {2.HA} 4.426 0.038 0.067 ++ 0.000 {?} 9.60430 9.60430 0 {?} 0 66 {2.HN} 8.364 0.016 0.019 ++ 0.000 {?} {2.HA} 4.955 0.032 0.041 ++ 0.000 {?} 15.59410 15.59410 -1 {?} 0 67 {12.HN} 7.803 0.050 0.041 ++ 0.000 {?} {11.HA2} 3.779 0.064 0.093 ++ 0.000 {?} 8.07660 8.07660 0 {?} 0 68 {6.HN} 8.012 0.039 0.067 ++ 0.000 {?} {5.HA} 4.205 0.066 0.082 ++ 0.000 {?} 33.93160 33.93160 0 {?} 0 69 {13.HB} 2.216 0.030 0.045 ++ 0.000 {?} {10.HA} 4.030 0.031 0.048 ++ 0.000 {?} 16.97860 16.97860 -1 {?} 0 70 {14.HB} 1.899 0.006 0.025 ++ 0.000 {?} {14.HA} 3.756 0.024 0.039 ++ 0.000 {?} 11.87310 11.87310 -1 {?} 0 71 {?} 2.119 0.006 0.011 ++ 0.000 {?} {?} 3.803 0.024 0.032 ++ 0.000 {?} 0.00000 11.42830 -1 {?} 0 72 {13.HB} 2.224 0.006 0.047 ++ 0.000 {?} {13.HA} 3.686 0.024 0.033 ++ 0.000 {?} 11.87310 11.87310 -1 {?} 0 73 {?} 1.744 0.006 0.031 ++ 0.000 {?} {?} 3.753 0.024 0.063 ++ 0.000 {?} 0.00000 11.42830 -1 {?} 0 74 {10.HB1} 1.465 0.010 0.042 ++ 0.000 {?} {10.HA} 4.030 0.064 0.064 ++ 0.000 {?} 69.14380 69.14380 -1 {?} 0 75 {?} 1.640 0.010 0.024 ++ 0.000 {?} {?} 4.295 0.033 0.054 ++ 0.000 {?} 0.00000 107.31510 -1 {?} 0 76 {10.HB1} 1.466 0.006 0.029 ++ 0.000 {?} {7.HA} 3.975 0.053 0.064 ++ 0.000 {?} 90.94900 90.94900 -1 {?} 0 77 {?} 1.643 0.010 0.015 ++ 0.000 {?} {?} 3.971 0.033 0.080 ++ 0.000 {?} 0.00000 107.31510 -1 {?} 0 78 {?} 2.146 0.006 0.009 ++ 0.000 {?} {?} 4.185 0.053 0.080 ++ 0.000 {?} 0.00000 90.94900 -1 {?} 0 79 {?} 2.003 0.010 0.046 ++ 0.000 {?} {?} 4.179 0.033 0.063 ++ 0.000 {?} 0.00000 107.31510 -1 {?} 0 80 {16.HB1} 1.571 0.006 0.036 ++ 0.000 {?} {16.HA} 4.235 0.053 0.080 ++ 0.000 {?} 90.94900 90.94900 -1 {?} 0 81 {16.HB1} 1.577 0.010 0.015 ++ 0.000 {?} {13.HA} 3.684 0.025 0.043 ++ 0.000 {?} 31.58060 31.58060 -1 {?} 0 82 {?} 1.640 0.010 0.047 ++ 0.000 {?} {?} 4.105 0.033 0.070 ++ 0.000 {?} 0.00000 107.31510 -1 {?} 0 83 {17.HB} 1.930 0.010 0.031 ++ 0.000 {?} {17.HA} 4.241 0.032 0.054 ++ 0.000 {?} 18.56330 18.56330 -1 {?} 0 84 {14.HB} 1.927 0.033 0.024 ++ 0.000 {?} {17.HA} 3.757 0.031 0.063 ++ 0.000 {?} 25.95550 25.95550 -1 {?} 0 85 {8.HA} 4.535 0.018 0.038 ++ 0.000 {?} {8.HN} 7.877 0.031 0.068 ++ 0.000 {?} 0.00000 23.54270 -1 {?} 0 86 {8.HA} 4.539 0.016 0.016 ++ 0.000 {?} {11.HN} 8.019 0.027 0.028 ++ 0.000 {?} 0.00000 4.13530 -1 {?} 0 87 {8.HA} 4.538 0.018 0.026 ++ 0.000 {?} {9.HN} 8.135 0.031 0.044 ++ 0.000 {?} 0.00000 7.83470 -1 {?} 0 88 {3.HA} 4.502 0.020 0.032 ++ 0.000 {?} {3.HN} 8.505 0.040 0.066 ++ 0.000 {?} 0.00000 12.38740 -1 {?} 0 89 {2.HA} 4.533 0.018 0.031 ++ 0.000 {?} {5.HN} 7.777 0.039 0.059 ++ 0.000 {?} 0.00000 10.52010 -1 {?} 0 90 {18.HA} 4.301 0.021 0.037 ++ 0.000 {?} {18.HN} 7.870 0.037 0.069 ++ 0.000 {?} 0.00000 17.16130 -1 {?} 0 91 {16.HA} 4.244 0.006 0.015 ++ 0.000 {?} {16.HN} 7.939 0.034 0.072 ++ 0.000 {?} 0.00000 28.98220 -1 {?} 0 92 {17.HA} 4.251 0.009 0.030 ++ 0.000 {?} {17.HN} 8.298 0.031 0.067 ++ 0.000 {?} 26.10549 26.10550 -1 {?} 0 93 {?} 4.251 0.006 0.015 ++ 0.000 {?} {?} 8.505 0.039 0.076 ++ 0.000 {?} 0.00000 7.37090 -1 {?} 0 94 {?} 4.198 0.009 0.020 ++ 0.000 {?} {?} 8.160 0.036 0.055 ++ 0.000 {?} 7.03620 7.03620 -1 {?} 0 95 {9.HA} 4.168 0.009 0.015 ++ 0.000 {?} {9.HN} 8.134 0.032 0.067 ++ 0.000 {?} 0.00000 10.86440 -1 {?} 0 96 {6.HA} 4.111 0.009 0.034 ++ 0.000 {?} {6.HN} 7.806 0.031 0.063 ++ 0.000 {?} 0.00000 10.24810 -1 {?} 0 97 {10.HA} 4.050 0.018 0.028 ++ 0.000 {?} {12.HN} 7.784 0.039 0.074 ++ 0.000 {?} 0.00000 22.37800 -1 {?} 0 98 {1.HA} 4.050 0.018 0.022 ++ 0.000 {?} {2.HN} 7.885 0.026 0.036 ++ 0.000 {?} 0.00000 4.96250 -1 {?} 0 99 {10.HA} 4.038 0.015 0.021 ++ 0.000 {?} {11.HN} 8.020 0.029 0.040 ++ 0.000 {?} 0.00000 6.44350 -1 {?} 0 100 {10.HA} 4.030 0.008 0.015 ++ 0.000 {?} {13.HN} 8.153 0.042 0.066 ++ 0.000 {?} 0.00000 10.24760 -1 {?} 0 101 {9.HA} 4.175 0.009 0.021 ++ 0.000 {?} {10.HN} 8.518 0.026 0.037 ++ 0.000 {?} 0.00000 2.89690 -1 {?} 0 102 {6.HA} 4.110 0.018 0.019 ++ 0.000 {?} {10.HN} 8.519 0.028 0.029 ++ 0.000 {?} 0.00000 4.60940 -1 {?} 0 103 {6.HA} 4.107 0.015 0.022 ++ 0.000 {?} {9.HN} 8.131 0.037 0.057 ++ 0.000 {?} 0.00000 8.10740 -1 {?} 0 104 {10.HA} 4.039 0.009 0.041 ++ 0.000 {?} {10.HN} 8.518 0.026 0.047 ++ 0.000 {?} 0.00000 26.17170 -1 {?} 0 105 {10.HA} 4.038 0.009 0.016 ++ 0.000 {?} {14.HN} 8.657 0.024 0.026 ++ 0.000 {?} 0.00000 4.69730 -1 {?} 0 106 {?} 3.977 0.010 0.021 ++ 0.000 {?} {?} 8.519 0.027 0.040 ++ 0.000 {?} 0.00000 5.71430 -1 {?} 0 107 {14.HA} 3.763 0.009 0.035 ++ 0.000 {?} {14.HN} 8.657 0.025 0.045 ++ 0.000 {?} 0.00000 17.00010 -1 {?} 0 108 {13.HA} 3.684 0.009 0.009 ++ 0.000 {?} {14.HN} 8.656 0.025 0.035 ++ 0.000 {?} 0.00000 6.61970 -1 {?} 0 109 {11.HA2} 3.824 0.011 0.011 ++ 0.000 {?} {14.HN} 8.660 0.028 0.028 ++ 0.000 {?} 0.00000 2.32740 -1 {?} 0 110 {11.HA2} 3.805 0.009 0.009 ++ 0.000 {?} {14.HN} 8.660 0.027 0.026 ++ 0.000 {?} 0.00000 4.29600 -1 {?} 0 111 {14.HA} 3.763 0.009 0.021 ++ 0.000 {?} {17.HN} 8.298 0.027 0.040 ++ 0.000 {?} 0.00000 4.09210 -1 {?} 0 112 {13.HA} 3.694 0.009 0.020 ++ 0.000 {?} {13.HN} 8.156 0.033 0.067 ++ 0.000 {?} 0.00000 13.69490 -1 {?} 0 113 {6.HA} 4.109 0.021 0.027 ++ 0.000 {?} {7.HN} 7.873 0.043 0.070 ++ 0.000 {?} 0.00000 4.55130 -1 {?} 0 114 {?} 4.331 0.007 0.017 ++ 0.000 {?} {?} 7.844 0.032 0.066 ++ 0.000 {?} 0.00000 12.58560 -1 {?} 0 115 {?} 4.377 0.014 0.024 ++ 0.000 {?} {?} 7.844 0.031 0.043 ++ 0.000 {?} 0.00000 6.58540 -1 {?} 0 116 {7.HA} 3.977 0.012 0.030 ++ 0.000 {?} {7.HN} 7.872 0.044 0.080 ++ 0.000 {?} 0.00000 33.46460 -1 {?} 0 117 {11.HA2} 3.823 0.012 0.026 ++ 0.000 {?} {11.HN} 8.020 0.028 0.039 ++ 0.000 {?} 0.00000 22.54230 -1 {?} 0 118 {?} 3.804 0.011 0.014 ++ 0.000 {?} {?} 8.020 0.027 0.034 ++ 0.000 {?} 0.00000 17.48480 -1 {?} 0 119 {15.HA2} 3.796 0.012 0.026 ++ 0.000 {?} {15.HN} 8.202 0.035 0.055 ++ 0.000 {?} 0.00000 21.76830 -1 {?} 0 120 {?} 3.777 0.014 0.021 ++ 0.000 {?} {?} 8.202 0.034 0.046 ++ 0.000 {?} 0.00000 23.77050 -1 {?} 0 121 {15.HA1} 3.881 0.009 0.009 ++ 0.000 {?} {15.HN} 8.202 0.035 0.050 ++ 0.000 {?} 0.00000 18.85830 -1 {?} 0 122 {?} 3.900 0.009 0.015 ++ 0.000 {?} {?} 8.200 0.044 0.068 ++ 0.000 {?} 0.00000 17.58910 -1 {?} 0 123 {11.HA1} 3.933 0.015 0.015 ++ 0.000 {?} {11.HN} 8.019 0.028 0.044 ++ 0.000 {?} 0.00000 30.75240 -1 {?} 0 124 {3.HA} 3.688 0.009 0.009 ++ 0.000 {?} {16.HN} 7.940 0.035 0.044 ++ 0.000 {?} 7.76015 7.76010 -1 {?} 0 125 {5.HG1} 1.263 0.010 0.015 ++ 0.000 {?} {5.HA} 4.224 0.024 0.041 ++ 0.000 {?} 47.65080 47.65080 -1 {?} 0 126 {5.HG1} 1.263 0.006 0.009 ++ 0.000 {?} {5.HB} 4.047 0.041 0.070 ++ 0.000 {?} 39.18440 39.18440 -1 {?} 0 127 {5.HN} 7.774 0.014 0.017 ++ 0.000 {?} {5.HG1} 2.852 0.039 0.051 ++ 0.000 {?} 18.88570 18.88570 -1 {?} 0 128 {14.HN} 8.457 0.031 0.061 ++ 0.000 {?} {14.HB} 1.947 0.047 0.093 ++ 0.000 {?} 56.88960 56.88960 0 {?} 0 129 {134} 8.657 0.015 0.025 ++ 0.000 {?} {?} 1.742 0.032 0.057 ++ 0.000 {?} 40.48760 40.48760 -1 {?} 0 130 {14.HN} 8.458 0.049 0.060 ++ 0.000 {?} {14.HG21} 0.942 0.067 0.085 ++ 0.000 {?} 18.44990 18.44990 0 {?} 0 131 {14.HN} 8.458 0.015 0.057 ++ 0.000 {?} {14.HG11} 1.182 0.051 0.089 ++ 0.000 {?} 22.42000 22.42000 0 {?} 0 132 {14.HN} 8.457 0.005 0.048 ++ 0.000 {?} {14.HG12} 1.056 0.022 0.062 ++ 0.000 {?} 9.97270 9.97270 0 {?} 0 133 {14.HN} 8.457 0.006 0.049 ++ 0.000 {?} {14.HD11} 0.864 0.041 0.053 ++ 0.000 {?} 10.23970 10.23970 0 {?} 0 134 {10.HN} 8.605 0.011 0.071 ++ 0.000 {?} {10.HB1} 1.464 0.035 0.076 ++ 0.000 {?} 93.40880 93.40880 0 {?} 0 135 {?} 8.518 0.017 0.043 ++ 0.000 {?} {?} 1.781 0.084 0.125 ++ 0.000 {?} 0.00000 23.72760 -1 {?} 0 136 {3.HN} 8.805 0.033 0.063 ++ 0.000 {?} {3.HB1} 3.052 0.038 0.069 ++ 0.000 {?} 18.30930 18.30930 0 {?} 0 137 {3.HN} 8.802 0.023 0.058 ++ 0.000 {?} {3.HB2} 3.133 0.051 0.092 ++ 0.000 {?} 17.02340 17.02340 0 {?} 0 138 {?} 8.297 0.010 0.014 ++ 0.000 {?} {?} 0.870 0.025 0.038 ++ 0.000 {?} 0.00000 16.12890 -1 {?} 0 139 {?} 8.298 0.012 0.029 ++ 0.000 {?} {?} 1.575 0.028 0.058 ++ 0.000 {?} 0.00000 50.33070 -1 {?} 0 140 {?} 8.298 0.012 0.037 ++ 0.000 {?} {?} 1.923 0.030 0.068 ++ 0.000 {?} 0.00000 69.37470 -1 {?} 0 141 {14.HN} 8.456 0.024 0.035 ++ 0.000 {?} {11.HA1} 4.069 0.107 0.074 ++ 0.000 {?} 2.72460 2.72460 0 {?} 0 142 {15.HN} 8.287 0.036 0.048 ++ 0.000 {?} {14.HA} 3.676 0.057 0.082 ++ 0.000 {?} 6.02530 6.02530 0 {?} 0 143 {13.HN} 8.065 0.030 0.042 ++ 0.000 {?} {9.HA} 4.075 0.076 0.061 ++ 0.000 {?} 3.12990 3.12990 0 {?} 0 144 {12.HN} 7.801 0.025 0.048 ++ 0.000 {?} {9.HA} 4.075 0.033 0.069 ++ 0.000 {?} 17.98520 17.98520 0 {?} 0 145 {11.HN} 8.218 0.026 0.036 ++ 0.000 {?} {8.HA} 4.469 0.053 0.078 ++ 0.000 {?} 6.30010 6.30010 0 {?} 0 146 {7.HN} 8.150 0.027 0.047 ++ 0.000 {?} {8.HN} 7.995 0.060 0.084 ++ 0.000 {?} 11.94950 11.94950 0 {?} 0 147 {8.HN} 7.983 0.031 0.044 ++ 0.000 {?} {7.HN} 8.153 0.031 0.056 ++ 0.000 {?} 12.92830 12.92830 0 {?} 0 148 {14.HN} 8.456 0.036 0.036 ++ 0.000 {?} {12.HA} 4.196 0.056 0.056 ++ 0.000 {?} 1.87970 1.87970 0 {?} 0 149 {?} 8.096 0.027 0.062 ++ 0.000 {?} {?} 3.311 0.044 0.079 ++ 0.000 {?} 0.00000 15.21090 -1 {?} 0 150 {8.HN} 7.986 0.023 0.037 ++ 0.000 {?} {6.HA} 3.911 0.037 0.070 ++ 0.000 {?} 6.13040 6.13040 0 {?} 0 151 {?} 7.959 0.027 0.062 ++ 0.000 {?} {?} 3.396 0.044 0.079 ++ 0.000 {?} 0.00000 15.21090 -1 {?} 0 152 {5.HN} 7.898 0.028 0.049 ++ 0.000 {?} {6.HN} 8.031 0.032 0.068 ++ 0.000 {?} 11.83470 11.83470 0 {?} 0 153 {6.HN} 8.023 0.025 0.036 ++ 0.000 {?} {5.HN} 7.901 0.030 0.053 ++ 0.000 {?} 8.19520 8.19520 0 {?} 0 154 {14.HN} 8.456 0.036 0.044 ++ 0.000 {?} {11.HA2} 3.783 0.041 0.058 ++ 0.000 {?} 2.72460 2.72460 0 {?} 0 155 {7.HN} 8.149 0.026 0.031 ++ 0.000 {?} {3.HA} 4.116 0.043 0.055 ++ 0.000 {?} 2.57890 2.57890 0 {?} 0 156 {7.HN} 8.149 0.026 0.042 ++ 0.000 {?} {4.HA} 4.307 0.034 0.063 ++ 0.000 {?} 6.55400 6.55400 0 {?} 0 157 {5.HN} 8.021 0.025 0.041 ++ 0.000 {?} {3.HA} 4.114 0.030 0.056 ++ 0.000 {?} 5.38770 5.38770 -1 {?} 0 158 {10.HN} 8.613 0.027 0.030 ++ 0.000 {?} {8.HA} 4.471 0.044 0.049 ++ 0.000 {?} 2.13010 2.13010 0 {?} 0 159 {3.HN} 8.805 0.027 0.053 ++ 0.000 {?} {4.HN} 7.919 0.041 0.079 ++ 0.000 {?} 13.49030 13.49030 0 {?} 0 160 {4.HN} 7.918 0.036 0.066 ++ 0.000 {?} {3.HN} 8.808 0.050 0.083 ++ 0.000 {?} 13.61140 13.61140 0 {?} 0 161 {1.HNt} 9.428 0.031 0.069 ++ 0.000 {?} {1.HA} 4.439 0.038 0.075 ++ 0.000 {?} 10.40340 10.40340 -1 {?} 0 162 {8.HN} 7.984 0.030 0.055 ++ 0.000 {?} {8.HB2} 2.855 0.031 0.066 ++ 0.000 {?} 14.69902 14.69900 0 {?} 0 163 {8.HN} 7.983 0.032 0.066 ++ 0.000 {?} {8.HB1} 2.955 0.044 0.098 ++ 0.000 {?} 20.32552 20.32550 0 {?} 0 164 {8.HD21} 7.723 0.028 0.039 ++ 0.000 {?} {8.HB2} 2.854 0.047 0.074 ++ 0.000 {?} 4.61038 4.61040 0 {?} 0 165 {8.HD21} 7.724 0.025 0.042 ++ 0.000 {?} {8.HB1} 2.955 0.039 0.075 ++ 0.000 {?} 8.62308 8.62310 0 {?} 0 166 {8.HD22} 6.927 0.032 0.032 ++ 0.000 {?} {8.HB2} 2.851 0.070 0.069 ++ 0.000 {?} 2.49754 2.49750 0 {?} 0 167 {8.HD22} 6.929 0.030 0.041 ++ 0.000 {?} {8.HB1} 2.957 0.047 0.068 ++ 0.000 {?} 4.77362 4.77360 0 {?} 0 168 {8.HD21} 7.724 0.024 0.050 ++ 0.000 {?} {8.HD22} 6.931 0.038 0.082 ++ 0.000 {?} 167.46303 167.46300 0 {?} 0 169 {8.HD22} 6.929 0.023 0.048 ++ 0.000 {?} {8.HD21} 7.726 0.035 0.082 ++ 0.000 {?} 96.41227 96.41230 0 {?} 0 170 {8.HA} 4.466 0.024 0.034 ++ 0.000 {?} {8.HB2} 2.856 0.039 0.061 ++ 0.000 {?} 3.30348 3.30350 0 {?} 0 171 {8.HA} 4.459 0.021 0.028 ++ 0.000 {?} {8.HB1} 2.956 0.035 0.050 ++ 0.000 {?} 2.75784 2.75780 0 {?} 0 172 {5.HB} 3.970 0.025 0.040 ++ 0.000 {?} {8.HB2} 2.854 0.039 0.079 ++ 0.000 {?} 4.67529 4.67530 0 {?} 0 173 {5.HB} 3.971 0.027 0.047 ++ 0.000 {?} {8.HB1} 2.954 0.039 0.069 ++ 0.000 {?} 6.87211 6.87210 0 {?} 0 174 {8.HB1} 2.948 0.036 0.052 ++ 0.000 {?} {8.HB2} 2.846 0.027 0.052 ++ 0.000 {?} 21.79012 21.79010 0 {?} 0 175 {8.HB2} 2.859 0.036 0.054 ++ 0.000 {?} {8.HB1} 2.961 0.033 0.064 ++ 0.000 {?} 6.93174 6.93170 0 {?} 0 176 {8.HB1} 2.954 0.037 0.064 ++ 0.000 {?} {5.HA} 3.972 0.037 0.073 ++ 0.000 {?} 3.06787 3.06790 0 {?} 0 177 {8.HB2} 2.856 0.034 0.055 ++ 0.000 {?} {5.HA} 3.973 0.036 0.070 ++ 0.000 {?} 7.46204 7.46200 0 {?} 0 178 {8.HB2} 2.854 0.028 0.034 ++ 0.000 {?} {8.HD22} 6.932 0.040 0.051 ++ 0.000 {?} 2.26692 2.26690 0 {?} 0 179 {8.HB1} 2.954 0.034 0.045 ++ 0.000 {?} {8.HD22} 6.931 0.040 0.064 ++ 0.000 {?} 3.83411 3.83410 0 {?} 0 180 {8.HB2} 2.857 0.030 0.044 ++ 0.000 {?} {8.HD21} 7.727 0.037 0.069 ++ 0.000 {?} 4.32615 4.32610 0 {?} 0 181 {8.HB1} 2.957 0.039 0.060 ++ 0.000 {?} {8.HD21} 7.725 0.047 0.067 ++ 0.000 {?} 3.32023 3.32020 0 {?} 0 182 {8.HA} 4.468 0.029 0.037 ++ 0.000 {?} {8.HN} 7.986 0.039 0.055 ++ 0.000 {?} 1.15460 1.15460 0 {?} 0 183 {8.HB1} 2.954 0.036 0.069 ++ 0.000 {?} {8.HN} 7.986 0.041 0.083 ++ 0.000 {?} 20.28506 20.28510 0 {?} 0 184 {8.HB2} 2.856 0.033 0.057 ++ 0.000 {?} {8.HN} 7.987 0.042 0.083 ++ 0.000 {?} 14.41865 14.41860 0 {?} 0 185 {?} 3.233 0.031 0.064 ++ 0.000 {?} {?} 3.057 0.034 0.070 ++ 0.000 {?} 0.00000 40.28120 0 {?} 0 186 {?} 3.055 0.031 0.065 ++ 0.000 {?} {?} 3.231 0.029 0.067 ++ 0.000 {?} 0.00000 63.37540 0 {?} 0 187 {?} 3.217 0.038 0.065 ++ 0.000 {?} {?} 3.533 0.040 0.084 ++ 0.000 {?} 0.00000 6.14990 0 {?} 0 188 {3.HB1} 3.136 0.033 0.065 ++ 0.000 {?} {3.HA} 4.117 0.042 0.079 ++ 0.000 {?} 16.57285 16.57280 0 {?} 0 189 {3.HB2} 3.077 0.030 0.062 ++ 0.000 {?} {3.HA} 4.117 0.040 0.078 ++ 0.000 {?} 9.87254 9.87250 0 {?} 0 190 {?} 3.536 0.034 0.038 ++ 0.000 {?} {?} 4.446 0.037 0.070 ++ 0.000 {?} 0.00000 6.57520 0 {?} 0 191 {?} 3.230 0.034 0.064 ++ 0.000 {?} {?} 4.425 0.038 0.079 ++ 0.000 {?} 0.00000 13.57960 0 {?} 0 192 {?} 3.056 0.034 0.062 ++ 0.000 {?} {?} 4.420 0.044 0.080 ++ 0.000 {?} 0.00000 12.03410 0 {?} 0 193 {8.HB1} 2.954 0.037 0.066 ++ 0.000 {?} {8.HA} 4.470 0.041 0.082 ++ 0.000 {?} 10.89032 10.89030 0 {?} 0 194 {8.HB2} 2.856 0.033 0.060 ++ 0.000 {?} {8.HA} 4.470 0.033 0.072 ++ 0.000 {?} 19.47735 19.47740 0 {?} 0 195 {4.HB1} 2.795 0.039 0.166 ++ 0.000 {?} {4.HA} 4.305 0.041 0.079 ++ 0.000 {?} 13.27222 13.27220 0 {?} 0 196 {4.HB2} 2.730 0.032 0.067 ++ 0.000 {?} {4.HA} 4.306 0.035 0.075 ++ 0.000 {?} 21.48237 21.48240 0 {?} 0 197 {13.HN} 8.065 0.026 0.047 ++ 0.000 {?} {13.HG21} 0.942 0.027 0.047 ++ 0.000 {?} 5.66432 5.66430 0 {?} 0 198 {13.HN} 8.065 0.025 0.064 ++ 0.000 {?} {13.HG11} 1.060 0.030 0.071 ++ 0.000 {?} 7.63623 7.63620 0 {?} 0 199 {13.HN} 8.065 0.025 0.065 ++ 0.000 {?} {13.HB} 2.260 0.042 0.084 ++ 0.000 {?} 27.84006 27.84010 0 {?} 0 200 {13.HG11} 1.058 0.026 0.044 ++ 0.000 {?} {13.HG21} 0.935 0.023 0.044 ++ 0.000 {?} 27.19609 27.19610 0 {?} 0 201 {13.HG21} 0.935 0.024 0.034 ++ 0.000 {?} {13.HG11} 1.066 0.012 0.022 ++ 0.000 {?} 8.92565 8.92560 0 {?} 0 202 {13.HB} 2.259 0.043 0.089 ++ 0.000 {?} {13.HG21} 0.943 0.030 0.066 ++ 0.000 {?} 22.66789 22.66790 0 {?} 0 203 {13.HB} 2.261 0.040 0.085 ++ 0.000 {?} {13.HG11} 1.061 0.031 0.072 ++ 0.000 {?} 25.21635 25.21640 0 {?} 0 204 {13.HA} 3.657 0.032 0.060 ++ 0.000 {?} {13.HG21} 0.945 0.030 0.064 ++ 0.000 {?} 26.40916 26.40920 0 {?} 0 205 {13.HA} 3.653 0.026 0.058 ++ 0.000 {?} {13.HG11} 1.061 0.031 0.074 ++ 0.000 {?} 36.32552 36.32550 0 {?} 0 206 {13.HA} 3.651 0.028 0.053 ++ 0.000 {?} {13.HB} 2.261 0.045 0.086 ++ 0.000 {?} 7.24353 7.24350 0 {?} 0 207 {13.HB} 2.261 0.040 0.071 ++ 0.000 {?} {13.HA} 3.655 0.030 0.065 ++ 0.000 {?} 10.00449 10.00450 0 {?} 0 208 {13.HA} 3.653 0.029 0.050 ++ 0.000 {?} {13.HN} 8.067 0.030 0.065 ++ 0.000 {?} 12.27034 12.27030 0 {?} 0 209 {13.HB} 2.259 0.038 0.074 ++ 0.000 {?} {13.HN} 8.066 0.029 0.068 ++ 0.000 {?} 19.57151 19.57150 0 {?} 0 210 {13.HG11} 1.059 0.022 0.046 ++ 0.000 {?} {13.HN} 8.067 0.030 0.072 ++ 0.000 {?} 11.82030 11.82030 0 {?} 0 211 {13.HG21} 0.941 0.022 0.037 ++ 0.000 {?} {13.HN} 8.065 0.031 0.063 ++ 0.000 {?} 7.32619 7.32620 0 {?} 0 212 {13.HG11} 1.058 0.022 0.047 ++ 0.000 {?} {13.HB} 2.260 0.044 0.087 ++ 0.000 {?} 34.52155 34.52150 0 {?} 0 213 {13.HG21} 0.942 0.025 0.062 ++ 0.000 {?} {13.HB} 2.260 0.045 0.089 ++ 0.000 {?} 35.60574 35.60570 0 {?} 0 214 {13.HG11} 1.059 0.022 0.047 ++ 0.000 {?} {13.HA} 3.653 0.030 0.071 ++ 0.000 {?} 29.13851 29.13850 0 {?} 0 215 {13.HG21} 0.942 0.023 0.048 ++ 0.000 {?} {13.HA} 3.669 0.051 0.091 ++ 0.000 {?} 22.79969 22.79970 0 {?} 0 216 {5.HA} 4.207 0.019 0.027 ++ 0.000 {?} {5.HB} 3.967 0.025 0.041 ++ 0.000 {?} 3.04639 3.04640 0 {?} 0 217 {5.HB} 3.966 0.025 0.041 ++ 0.000 {?} {5.HA} 4.203 0.031 0.062 ++ 0.000 {?} 8.81289 8.81290 0 {?} 0 218 {5.HA} 4.200 0.029 0.049 ++ 0.000 {?} {5.HN} 7.903 0.026 0.044 ++ 0.000 {?} 7.98513 7.98510 0 {?} 0 219 {5.HB} 3.970 0.025 0.040 ++ 0.000 {?} {5.HN} 7.902 0.028 0.049 ++ 0.000 {?} 7.46290 7.46290 0 {?} 0 220 {4.HN} 7.910 0.038 0.059 ++ 0.000 {?} {4.HB2} 2.732 0.067 0.094 ++ 0.000 {?} 5.81370 5.81370 0 {?} 0 221 {4.HN} 7.910 0.036 0.070 ++ 0.000 {?} {4.HB1} 2.795 0.031 0.095 ++ 0.000 {?} 19.54610 19.54610 0 {?} 0 222 {4.HB1} 2.792 0.030 0.062 ++ 0.000 {?} {4.HB2} 2.736 0.053 0.070 ++ 0.000 {?} 27.27416 27.27420 0 {?} 0 223 {4.HB2} 2.732 0.030 0.056 ++ 0.000 {?} {4.HB1} 2.796 0.037 0.079 ++ 0.000 {?} 48.22762 48.22760 0 {?} 0 224 {4.HB1} 2.795 0.038 0.079 ++ 0.000 {?} {4.HN} 7.915 0.044 0.084 ++ 0.000 {?} 17.41588 17.41590 0 {?} 0 225 {4.HB2} 2.731 0.030 0.056 ++ 0.000 {?} {4.HN} 7.915 0.043 0.083 ++ 0.000 {?} 12.33542 12.33540 0 {?} 0 226 {4.HA} 4.303 0.024 0.039 ++ 0.000 {?} {4.HB2} 2.731 0.046 0.079 ++ 0.000 {?} 3.63050 3.63050 0 {?} 0 227 {4.HA} 4.293 0.021 0.024 ++ 0.000 {?} {4.HB1} 2.801 0.059 0.070 ++ 0.000 {?} 3.37285 3.37280 0 {?} 0 228 {4.HN} 7.915 0.034 0.054 ++ 0.000 {?} {3.HB2} 3.071 0.085 0.085 ++ 0.000 {?} 5.40416 5.40420 0 {?} 0 229 {4.HN} 7.917 0.034 0.046 ++ 0.000 {?} {3.HB1} 3.137 0.057 0.070 ++ 0.000 {?} 4.49042 4.49040 0 {?} 0 230 {4.HN} 7.917 0.027 0.029 ++ 0.000 {?} {1.HB1} 3.225 0.038 0.041 ++ 0.000 {?} 2.78383 2.78380 -1 {?} 0 231 {1.HT1} 8.803 0.027 0.038 ++ 0.000 {?} {1.HB1} 3.231 0.023 0.034 ++ 0.000 {?} 3.44641 3.44640 -1 {?} 0 232 {1.HT1} 8.803 0.023 0.049 ++ 0.000 {?} {1.HB2} 3.050 0.027 0.057 ++ 0.000 {?} 5.97274 5.97270 -1 {?} 0 233 {3.HN} 8.804 0.025 0.029 ++ 0.000 {?} {3.HD1} 7.308 0.039 0.049 ++ 0.000 {?} 3.14208 3.14210 0 {?} 0 234 {1.HT1} 8.804 0.025 0.028 ++ 0.000 {?} {1.HD1} 7.094 0.035 0.040 ++ 0.000 {?} 0.00000 2.97930 0 {?} 0 235 {3.HD1} 7.311 0.033 0.057 ++ 0.000 {?} {3.HB2} 3.064 0.057 0.059 ++ 0.000 {?} 9.22203 9.22200 0 {?} 0 236 {3.HD1} 7.312 0.034 0.056 ++ 0.000 {?} {3.HB1} 3.134 0.052 0.071 ++ 0.000 {?} 8.00845 8.00840 0 {?} 0 237 {3.HD1} 7.306 0.024 0.044 ++ 0.000 {?} {3.HA} 4.117 0.042 0.079 ++ 0.000 {?} 21.38936 21.38940 0 {?} 0 238 {3.HA} 4.118 0.023 0.039 ++ 0.000 {?} {3.HB2} 3.083 0.065 0.070 ++ 0.000 {?} 7.53582 7.53580 0 {?} 0 239 {3.HA} 4.117 0.025 0.041 ++ 0.000 {?} {3.HB1} 3.131 0.063 0.087 ++ 0.000 {?} 9.57500 9.57500 0 {?} 0 240 {3.HB1} 3.146 0.033 0.045 ++ 0.000 {?} {3.HB2} 3.048 0.040 0.080 ++ 0.000 {?} 8.30361 8.30360 0 {?} 0 241 {3.HB2} 3.072 0.019 0.028 ++ 0.000 {?} {3.HB1} 3.157 0.023 0.045 ++ 0.000 {?} 69.50839 69.50840 0 {?} 0 242 {3.HB1} 3.137 0.033 0.053 ++ 0.000 {?} {3.HD1} 7.310 0.035 0.063 ++ 0.000 {?} 2.66903 2.66900 0 {?} 0 243 {3.HB2} 3.076 0.034 0.057 ++ 0.000 {?} {3.HD1} 7.309 0.036 0.067 ++ 0.000 {?} 2.59918 2.59920 0 {?} 0 244 {3.HD1} 4.116 0.027 0.040 ++ 0.000 {?} {3.HA} 7.309 0.034 0.059 ++ 0.000 {?} 4.10306 4.10310 0 {?} 0 245 {3.HB1} 3.137 0.033 0.049 ++ 0.000 {?} {4.HN} 7.920 0.039 0.063 ++ 0.000 {?} 5.27924 5.27920 1 {?} 0 246 {3.HB2} 3.073 0.038 0.053 ++ 0.000 {?} {4.HN} 7.918 0.042 0.072 ++ 0.000 {?} 3.92083 3.92080 0 {?} 0 247 {3.HA} 4.117 0.028 0.042 ++ 0.000 {?} {3.HN} 8.807 0.044 0.072 ++ 0.000 {?} 1.92365 1.92370 0 {?} 0 248 {3.HB1} 3.137 0.032 0.067 ++ 0.000 {?} {3.HN} 8.808 0.043 0.081 ++ 0.000 {?} 6.26430 6.26430 0 {?} 0 249 {3.HB2} 3.071 0.035 0.067 ++ 0.000 {?} {3.HN} 8.808 0.044 0.082 ++ 0.000 {?} 5.94182 5.94180 0 {?} 0 250 {6.HN} 8.021 0.026 0.047 ++ 0.000 {?} {6.HD21} 0.831 0.053 0.084 ++ 0.000 {?} 6.03643 6.03640 0 {?} 0 251 {6.HN} 8.023 0.017 0.039 ++ 0.000 {?} {6.HG} 1.200 0.037 0.066 ++ 0.000 {?} 5.31092 5.31090 0 {?} 0 252 {6.HN} 8.021 0.026 0.064 ++ 0.000 {?} {6.HB2} 1.558 0.063 0.117 ++ 0.000 {?} 32.39357 32.39360 0 {?} 0 253 {5.HA} 4.200 0.032 0.057 ++ 0.000 {?} {6.HN} 8.028 0.043 0.077 ++ 0.000 {?} 5.28707 5.28710 0 {?} 0 254 {3.HA} 4.117 0.031 0.048 ++ 0.000 {?} {6.HN} 8.025 0.043 0.068 ++ 0.000 {?} 2.65425 2.65420 0 {?} 0 255 {6.HA} 3.899 0.024 0.045 ++ 0.000 {?} {6.HN} 8.025 0.040 0.102 ++ 0.000 {?} 8.37108 8.37110 0 {?} 0 256 {6.HB2} 1.554 0.056 0.119 ++ 0.000 {?} {6.HN} 8.020 0.031 0.072 ++ 0.000 {?} 17.81182 17.81180 0 {?} 0 257 {6.HD21} 0.843 0.023 0.033 ++ 0.000 {?} {6.HN} 8.022 0.030 0.054 ++ 0.000 {?} 2.85712 2.85710 0 {?} 0 258 {?} 0.819 0.021 0.021 ++ 0.000 {?} {?} 8.022 0.031 0.058 ++ 0.000 {?} 0.00000 2.15030 0 {?} 0 259 {6.HN} 8.021 0.025 0.047 ++ 0.000 {?} {3.HA} 4.114 0.030 0.069 ++ 0.000 {?} 2.05056 2.05060 0 {?} 0 260 {6.HB2} 1.542 0.047 0.100 ++ 0.000 {?} {6.HD21} 0.831 0.059 0.098 ++ 0.000 {?} 33.37422 33.37420 0 {?} 0 261 {6.HD21} 0.831 0.044 0.075 ++ 0.000 {?} {6.HB2} 1.550 0.061 0.114 ++ 0.000 {?} 22.58778 22.58780 0 {?} 0 262 {6.HA} 3.903 0.027 0.057 ++ 0.000 {?} {6.HD21} 0.827 0.046 0.094 ++ 0.000 {?} 22.45358 22.45360 0 {?} 0 263 {6.HA} 3.900 0.033 0.068 ++ 0.000 {?} {6.HB2} 1.556 0.030 0.074 ++ 0.000 {?} 19.16443 19.16440 0 {?} 0 264 {6.HA} 3.904 0.029 0.056 ++ 0.000 {?} {9.HB1} 1.844 0.037 0.081 ++ 0.000 {?} 11.89696 11.89700 0 {?} 0 265 {6.HB2} 1.546 0.074 0.108 ++ 0.000 {?} {6.HA} 3.901 0.044 0.083 ++ 0.000 {?} 17.65001 17.65000 0 {?} 0 266 {6.HB2} 0.829 0.010 0.035 ++ 0.000 {?} {6.HD21} 3.904 0.034 0.064 ++ 0.000 {?} 16.84456 16.84460 0 {?} 0 267 {6.HB2} 0.818 0.026 0.038 ++ 0.000 {?} {6.HD21} 3.904 0.040 0.082 ++ 0.000 {?} 27.87417 27.87420 -1 {?} 0 268 {9.HB1} 1.845 0.035 0.076 ++ 0.000 {?} {10.HA} 3.905 0.042 0.080 ++ 0.000 {?} 12.90871 12.90870 0 {?} 0 269 {7.HN} 8.021 0.027 0.043 ++ 0.000 {?} {6.HN} 8.157 0.040 0.072 ++ 0.000 {?} 11.59061 11.59060 0 {?} 0 270 {7.HN} 8.150 0.027 0.027 ++ 0.000 {?} {8.HB1} 2.955 0.054 0.046 ++ 0.000 {?} 1.30188 1.30190 0 {?} 0 271 {7.HN} 8.148 0.028 0.028 ++ 0.000 {?} {8.HB2} 2.840 0.067 0.067 ++ 0.000 {?} 1.38456 1.38460 0 {?} 0 272 {7.HN} 8.149 0.026 0.039 ++ 0.000 {?} {7.HG2} 1.281 0.041 0.070 ++ 0.000 {?} 3.55118 3.55120 0 {?} 0 273 {7.HN} 8.149 0.028 0.050 ++ 0.000 {?} {7.HG1} 1.396 0.045 0.080 ++ 0.000 {?} 9.30396 9.30400 0 {?} 0 274 {7.HN} 8.149 0.029 0.057 ++ 0.000 {?} {6.HB2} 1.552 0.069 0.123 ++ 0.000 {?} 12.72525 12.72530 0 {?} 0 275 {7.HN} 8.149 0.027 0.058 ++ 0.000 {?} {7.HB2} 1.739 0.039 0.099 ++ 0.000 {?} 18.01251 18.01250 0 {?} 0 276 {7.HN} 8.149 0.030 0.058 ++ 0.000 {?} {7.HB1} 1.815 0.045 0.082 ++ 0.000 {?} 14.33876 14.33880 0 {?} 0 277 {7.HN} 8.149 0.026 0.038 ++ 0.000 {?} {6.HD21} 0.832 0.055 0.077 ++ 0.000 {?} 2.92412 2.92410 0 {?} 0 278 {7.HN} 8.150 0.014 0.014 ++ 0.000 {?} {5.HB} 3.971 0.019 0.010 ++ 0.000 {?} 0.91591 0.91590 0 {?} 0 279 {7.HN} 8.149 0.014 0.014 ++ 0.000 {?} {5.HA} 4.202 0.023 0.012 ++ 0.000 {?} 0.96120 0.96120 0 {?} 0 280 {7.HN} 8.148 0.019 0.019 ++ 0.000 {?} {8.HA} 4.474 0.033 0.024 ++ 0.000 {?} 1.16466 1.16470 0 {?} 0 281 {7.HA} 3.741 0.025 0.047 ++ 0.000 {?} {7.HB2} 1.742 0.075 0.077 ++ 0.000 {?} 11.82636 11.82640 0 {?} 0 282 {7.HA} 3.741 0.027 0.051 ++ 0.000 {?} {7.HB1} 1.816 0.031 0.071 ++ 0.000 {?} 15.53956 15.53960 0 {?} 0 283 {7.HA} 3.741 0.032 0.040 ++ 0.000 {?} {6.HB2} 1.552 0.040 0.052 ++ 0.000 {?} 2.12408 2.12410 0 {?} 0 284 {7.HA} 3.741 0.028 0.058 ++ 0.000 {?} {10.HB1} 1.461 0.023 0.081 ++ 0.000 {?} 21.59806 21.59810 0 {?} 0 285 {7.HA} 3.741 0.027 0.044 ++ 0.000 {?} {7.HG1} 1.397 0.036 0.059 ++ 0.000 {?} 6.71505 6.71510 0 {?} 0 286 {7.HA} 3.741 0.029 0.030 ++ 0.000 {?} {8.HB2} 2.834 0.065 0.066 ++ 0.000 {?} 1.47151 1.47150 0 {?} 0 287 {7.HA} 3.740 0.029 0.029 ++ 0.000 {?} {8.HB1} 2.953 0.064 0.043 ++ 0.000 {?} 1.08040 1.08040 0 {?} 0 288 {7.HA} 3.740 0.026 0.046 ++ 0.000 {?} {7.HG2} 1.279 0.032 0.085 ++ 0.000 {?} 4.69370 4.69370 0 {?} 0 289 {7.HB1} 1.811 0.028 0.043 ++ 0.000 {?} {7.HB2} 1.741 0.071 0.083 ++ 0.000 {?} 21.86628 21.86630 0 {?} 0 290 {7.HB2} 1.748 0.022 0.040 ++ 0.000 {?} {7.HB1} 1.823 0.023 0.058 ++ 0.000 {?} 10.22631 10.22630 0 {?} 0 291 {7.HB1} 1.814 0.032 0.059 ++ 0.000 {?} {7.HN} 8.151 0.047 0.087 ++ 0.000 {?} 11.03253 11.03250 0 {?} 0 292 {7.HB2} 1.743 0.038 0.069 ++ 0.000 {?} {7.HN} 8.151 0.041 0.080 ++ 0.000 {?} 13.87095 13.87090 0 {?} 0 293 {7.HA} 3.740 0.026 0.046 ++ 0.000 {?} {7.HN} 8.151 0.042 0.084 ++ 0.000 {?} 7.46039 7.46040 0 {?} 0 294 {7.HG1} 1.403 0.032 0.049 ++ 0.000 {?} {7.HG2} 1.281 0.027 0.052 ++ 0.000 {?} 38.70897 38.70900 0 {?} 0 295 {7.HG2} 1.291 0.016 0.024 ++ 0.000 {?} {7.HG1} 1.407 0.024 0.046 ++ 0.000 {?} 12.87659 12.87660 0 {?} 0 296 {7.HB1} 1.818 0.028 0.055 ++ 0.000 {?} {7.HG2} 1.286 0.039 0.071 ++ 0.000 {?} 8.20493 8.20490 0 {?} 0 297 {7.HB2} 1.755 0.034 0.054 ++ 0.000 {?} {7.HG1} 1.407 0.043 0.075 ++ 0.000 {?} 5.64272 5.64270 0 {?} 0 298 {7.HG2} 1.285 0.035 0.059 ++ 0.000 {?} {7.HB1} 1.815 0.035 0.063 ++ 0.000 {?} 5.51703 5.51700 0 {?} 0 299 {7.HG1} 1.394 0.043 0.072 ++ 0.000 {?} {7.HB2} 1.737 0.037 0.060 ++ 0.000 {?} 7.63552 7.63550 0 {?} 0 300 {7.HB1} 1.814 0.040 0.079 ++ 0.000 {?} {7.HA} 3.741 0.041 0.079 ++ 0.000 {?} 15.72597 15.72600 0 {?} 0 301 {7.HB2} 1.746 0.033 0.061 ++ 0.000 {?} {7.HA} 3.741 0.030 0.071 ++ 0.000 {?} 13.79184 13.79180 0 {?} 0 302 {7.HG1} 1.395 0.041 0.067 ++ 0.000 {?} {7.HA} 3.742 0.036 0.066 ++ 0.000 {?} 7.15180 7.15180 0 {?} 0 303 {7.HG2} 1.285 0.026 0.041 ++ 0.000 {?} {7.HA} 3.748 0.029 0.055 ++ 0.000 {?} 7.20667 7.20670 0 {?} 0 304 {7.HG1} 1.394 0.043 0.067 ++ 0.000 {?} {7.HN} 8.151 0.044 0.075 ++ 0.000 {?} 5.69428 5.69430 0 {?} 0 305 {7.HG2} 1.272 0.043 0.056 ++ 0.000 {?} {7.HN} 8.151 0.038 0.052 ++ 0.000 {?} 2.19306 2.19310 0 {?} 0 306 {9.HN} 8.258 0.010 0.037 ++ 0.000 {?} {10.HA} 3.899 0.033 0.068 ++ 0.000 {?} 9.13669 9.13670 0 {?} 0 307 {9.HN} 8.253 0.031 0.056 ++ 0.000 {?} {8.HB2} 2.854 0.038 0.082 ++ 0.000 {?} 8.73408 8.73410 0 {?} 0 308 {9.HN} 8.248 0.034 0.064 ++ 0.000 {?} {8.HB1} 2.960 0.044 0.080 ++ 0.000 {?} 8.26913 8.26910 0 {?} 0 309 {9.HN} 8.250 0.032 0.068 ++ 0.000 {?} {9.HB1} 1.843 0.041 0.086 ++ 0.000 {?} 40.25162 40.25160 0 {?} 0 310 {9.HN} 8.253 0.031 0.061 ++ 0.000 {?} {9.HB2} 1.618 0.039 0.097 ++ 0.000 {?} 13.38891 13.38890 0 {?} 0 311 {9.HN} 8.251 0.028 0.069 ++ 0.000 {?} {9.HD21} 0.881 0.034 0.085 ++ 0.000 {?} 7.53978 7.53980 0 {?} 0 312 {9.HN} 8.255 0.031 0.035 ++ 0.000 {?} {6.HG} 1.202 0.048 0.058 ++ 0.000 {?} 1.89435 1.89440 0 {?} 0 313 {9.HA} 4.077 0.027 0.059 ++ 0.000 {?} {9.HD21} 0.883 0.032 0.076 ++ 0.000 {?} 21.17875 21.17870 0 {?} 0 314 {?} 4.076 0.020 0.020 ++ 0.000 {?} {?} 1.064 0.041 0.041 ++ 0.000 {?} 0.00000 1.49020 0 {?} 0 315 {?} 4.080 0.026 0.033 ++ 0.000 {?} {?} 1.462 0.048 0.064 ++ 0.000 {?} 0.00000 1.86440 0 {?} 0 316 {9.HA} 4.077 0.030 0.056 ++ 0.000 {?} {9.HB2} 1.625 0.054 0.104 ++ 0.000 {?} 12.34893 12.34890 0 {?} 0 317 {9.HA} 4.076 0.027 0.057 ++ 0.000 {?} {12.HB2} 1.930 0.035 0.076 ++ 0.000 {?} 14.07246 14.07250 0 {?} 0 318 {9.HA} 4.077 0.030 0.050 ++ 0.000 {?} {12.HB1} 2.109 0.050 0.104 ++ 0.000 {?} 4.58654 4.58650 0 {?} 0 319 {?} 4.077 0.036 0.045 ++ 0.000 {?} {?} 2.954 0.052 0.071 ++ 0.000 {?} 0.00000 2.34410 0 {?} 0 320 {11.HA1} 4.069 0.052 0.101 ++ 0.000 {?} {11.HA2} 3.770 0.046 0.108 ++ 0.000 {?} 30.03536 30.03540 0 {?} 0 321 {9.HA} 4.076 0.025 0.053 ++ 0.000 {?} {9.HB1} 1.846 0.035 0.077 ++ 0.000 {?} 2.05510 2.05510 0 {?} 0 322 {9.HB2} 1.613 0.036 0.083 ++ 0.000 {?} {9.HB1} 1.861 0.074 0.122 ++ 0.000 {?} 79.35498 79.35500 0 {?} 0 323 {9.HB1} 1.867 0.039 0.109 ++ 0.000 {?} {9.HB2} 1.611 0.039 0.091 ++ 0.000 {?} 70.71552 70.71550 0 {?} 0 324 {9.HA} 4.077 0.031 0.065 ++ 0.000 {?} {9.HN} 8.238 0.043 0.091 ++ 0.000 {?} 14.97322 14.97320 0 {?} 0 325 {?} 3.616 0.018 0.026 ++ 0.000 {?} {?} 8.246 0.037 0.057 ++ 0.000 {?} 0.00000 1.12480 0 {?} 0 326 {8.HB1} 2.954 0.035 0.059 ++ 0.000 {?} {9.HN} 8.255 0.030 0.063 ++ 0.000 {?} 7.58510 7.58510 0 {?} 0 327 {8.HB2} 2.856 0.035 0.057 ++ 0.000 {?} {9.HN} 8.255 0.030 0.064 ++ 0.000 {?} 8.29189 8.29190 0 {?} 0 328 {9.HB1} 1.844 0.037 0.085 ++ 0.000 {?} {9.HN} 8.255 0.039 0.094 ++ 0.000 {?} 27.80595 27.80600 0 {?} 0 329 {9.HB2} 1.614 0.036 0.070 ++ 0.000 {?} {9.HN} 8.256 0.038 0.088 ++ 0.000 {?} 11.10674 11.10670 0 {?} 0 330 {8.HB1} 2.953 0.039 0.056 ++ 0.000 {?} {9.HA} 4.082 0.044 0.068 ++ 0.000 {?} 3.02076 3.02080 0 {?} 0 331 {8.HB2} 2.853 0.040 0.047 ++ 0.000 {?} {9.HA} 4.089 0.042 0.051 ++ 0.000 {?} 0.92495 0.92500 0 {?} 0 332 {12.HB1} 2.109 0.039 0.067 ++ 0.000 {?} {9.HA} 4.077 0.028 0.056 ++ 0.000 {?} 6.81794 6.81790 0 {?} 0 333 {12.HB2} 1.888 0.021 0.062 ++ 0.000 {?} {9.HA} 4.082 0.032 0.058 ++ 0.000 {?} 3.90168 3.90170 0 {?} 0 334 {9.HB1} 1.845 0.035 0.079 ++ 0.000 {?} {9.HA} 4.078 0.027 0.062 ++ 0.000 {?} 20.90913 20.90910 0 {?} 0 335 {12.HD1} 1.732 0.032 0.040 ++ 0.000 {?} {9.HA} 4.083 0.034 0.047 ++ 0.000 {?} 2.13728 2.13730 0 {?} 0 336 {9.HB2} 1.616 0.035 0.061 ++ 0.000 {?} {9.HA} 4.075 0.032 0.073 ++ 0.000 {?} 19.12447 19.12450 0 {?} 0 337 {10.HB1} 1.460 0.025 0.037 ++ 0.000 {?} {9.HA} 4.078 0.040 0.065 ++ 0.000 {?} 3.62391 3.62390 0 {?} 0 338 {?} 1.060 0.023 0.030 ++ 0.000 {?} {?} 4.077 0.029 0.041 ++ 0.000 {?} 0.00000 2.70760 0 {?} 0 339 {9.HD21} 0.883 0.027 0.053 ++ 0.000 {?} {9.HA} 4.077 0.028 0.065 ++ 0.000 {?} 35.59765 35.59760 0 {?} 0 340 {?} 0.945 0.020 0.022 ++ 0.000 {?} {?} 4.078 0.033 0.038 ++ 0.000 {?} 0.00000 1.72160 0 {?} 0 341 {9.HD21} 0.887 0.024 0.050 ++ 0.000 {?} {9.HB2} 1.614 0.031 0.081 ++ 0.000 {?} 66.06106 66.06110 0 {?} 0 342 {9.HB2} 1.621 0.047 0.098 ++ 0.000 {?} {9.HD21} 0.888 0.045 0.113 ++ 0.000 {?} 20.30991 20.30990 0 {?} 0 343 {10.HN} 8.613 0.025 0.051 ++ 0.000 {?} {9.HB1} 1.844 0.037 0.078 ++ 0.000 {?} 12.73772 12.73770 0 {?} 0 344 {10.HN} 8.613 0.028 0.051 ++ 0.000 {?} {9.HB2} 1.616 0.043 0.091 ++ 0.000 {?} 8.41887 8.41890 0 {?} 0 345 {10.HN} 8.613 0.025 0.035 ++ 0.000 {?} {9.HD21} 0.865 0.079 0.106 ++ 0.000 {?} 1.81267 1.81270 0 {?} 0 346 {10.HA} 3.917 0.030 0.063 ++ 0.000 {?} {10.HB1} 1.462 0.037 0.091 ++ 0.000 {?} 26.30956 26.30960 0 {?} 0 347 {10.HA} 3.917 0.027 0.051 ++ 0.000 {?} {13.HB} 2.261 0.043 0.084 ++ 0.000 {?} 7.93645 7.93650 0 {?} 0 348 {?} 3.913 0.023 0.023 ++ 0.000 {?} {?} 2.945 0.037 0.024 ++ 0.000 {?} 0.00000 1.01690 0 {?} 0 349 {10.HA} 3.917 0.027 0.047 ++ 0.000 {?} {13.HG11} 1.061 0.029 0.060 ++ 0.000 {?} 8.83527 8.83530 0 {?} 0 350 {10.HB1} 1.460 0.027 0.059 ++ 0.000 {?} {10.HA} 3.917 0.036 0.091 ++ 0.000 {?} 50.04486 50.04490 0 {?} 0 351 {10.HB1} 1.459 0.024 0.050 ++ 0.000 {?} {7.HA} 3.742 0.039 0.079 ++ 0.000 {?} 21.63925 21.63920 0 {?} 0 352 {13.HB} 2.260 0.036 0.072 ++ 0.000 {?} {10.HA} 3.919 0.027 0.060 ++ 0.000 {?} 12.01290 12.01290 0 {?} 0 353 {?} 1.942 0.031 0.038 ++ 0.000 {?} {?} 3.928 0.043 0.054 ++ 0.000 {?} 0.00000 2.19730 0 {?} 0 354 {7.HB2} 1.751 0.032 0.034 ++ 0.000 {?} {10.HA} 3.918 0.028 0.030 ++ 0.000 {?} 1.40994 1.40990 0 {?} 0 355 {13.HG21} 0.943 0.022 0.039 ++ 0.000 {?} {10.HA} 3.924 0.035 0.072 ++ 0.000 {?} 7.01164 7.01160 0 {?} 0 356 {13.HG11} 1.059 0.023 0.045 ++ 0.000 {?} {10.HA} 3.918 0.038 0.080 ++ 0.000 {?} 11.83266 11.83270 0 {?} 0 357 {10.HB1} 1.460 0.021 0.032 ++ 0.000 {?} {13.HB} 2.260 0.038 0.061 ++ 0.000 {?} 2.03082 2.03080 0 {?} 0 358 {10.HB1} 1.462 0.022 0.021 ++ 0.000 {?} {8.HA} 4.474 0.031 0.030 ++ 0.000 {?} 1.20461 1.20460 0 {?} 0 359 {10.HB2} 1.460 0.020 0.021 ++ 0.000 {?} {12.HN} 7.804 0.032 0.034 ++ 0.000 {?} 1.59395 1.59400 0 {?} 0 360 {10.HB1} 1.460 0.017 0.017 ++ 0.000 {?} {13.HN} 8.064 0.022 0.020 ++ 0.000 {?} 1.32191 1.32190 0 {?} 0 361 {10.HB1} 1.459 0.024 0.049 ++ 0.000 {?} {11.HN} 8.227 0.035 0.079 ++ 0.000 {?} 15.70781 15.70780 0 {?} 0 362 {10.HB1} 1.460 0.023 0.052 ++ 0.000 {?} {10.HN} 8.616 0.034 0.081 ++ 0.000 {?} 42.55962 42.55960 0 {?} 0 363 {13.HB} 2.261 0.030 0.041 ++ 0.000 {?} {10.HB1} 1.461 0.035 0.054 ++ 0.000 {?} 2.37913 2.37910 0 {?} 0 364 {?} 2.259 0.033 0.038 ++ 0.000 {?} {?} 1.749 0.034 0.044 ++ 0.000 {?} 0.00000 1.11610 0 {?} 0 365 {?} 2.264 0.032 0.034 ++ 0.000 {?} {?} 1.931 0.043 0.046 ++ 0.000 {?} 0.00000 1.58240 0 {?} 0 366 {10.HA} 3.916 0.028 0.053 ++ 0.000 {?} {10.HN} 8.617 0.033 0.074 ++ 0.000 {?} 8.98927 8.98930 0 {?} 0 367 {9.HB1} 1.846 0.037 0.068 ++ 0.000 {?} {10.HN} 8.616 0.034 0.075 ++ 0.000 {?} 9.82296 9.82300 0 {?} 0 368 {9.HB2} 1.615 0.036 0.064 ++ 0.000 {?} {10.HN} 8.616 0.033 0.070 ++ 0.000 {?} 4.36070 4.36070 0 {?} 0 369 {9.HA} 4.077 0.029 0.041 ++ 0.000 {?} {10.HN} 8.616 0.029 0.045 ++ 0.000 {?} 2.13865 2.13860 0 {?} 0 370 {7.HA} 3.741 0.026 0.042 ++ 0.000 {?} {10.HN} 8.615 0.030 0.059 ++ 0.000 {?} 3.83689 3.83690 0 {?} 0 371 {8.HN} 7.986 0.032 0.042 ++ 0.000 {?} {10.HN} 8.616 0.033 0.044 ++ 0.000 {?} 1.59859 1.59860 0 {?} 0 372 {12.HN} 7.800 0.026 0.032 ++ 0.000 {?} {10.HN} 8.617 0.040 0.056 ++ 0.000 {?} 1.39586 1.39590 0 {?} 0 373 {9.HB2} 1.611 0.021 0.071 ++ 0.000 {?} {10.HA} 3.905 0.042 0.077 ++ 0.000 {?} 9.07854 9.07850 0 {?} 0 374 {13.HG11} 1.058 0.017 0.017 ++ 0.000 {?} {10.HN} 8.607 0.029 0.026 ++ 0.000 {?} 1.21044 1.21040 0 {?} 0 375 {10.HN} 8.613 0.023 0.022 ++ 0.000 {?} {8.HN} 7.984 0.025 0.022 ++ 0.000 {?} 1.28167 1.28170 0 {?} 0 376 {10.HN} 8.614 0.018 0.021 ++ 0.000 {?} {12.HN} 7.804 0.022 0.026 ++ 0.000 {?} 1.74332 1.74330 0 {?} 0 377 {7.HN} 8.150 0.022 0.022 ++ 0.000 {?} {10.HN} 8.615 0.030 0.024 ++ 0.000 {?} 1.23634 1.23630 0 {?} 0 378 {13.HN} 8.066 0.022 0.022 ++ 0.000 {?} {10.HN} 8.616 0.034 0.026 ++ 0.000 {?} 0.87171 0.87170 0 {?} 0 379 {11.HN} 8.225 0.030 0.075 ++ 0.000 {?} {10.HB1} 1.461 0.034 0.078 ++ 0.000 {?} 14.38553 14.38550 0 {?} 0 380 {?} 8.225 0.019 0.018 ++ 0.000 {?} {?} 2.109 0.059 0.040 ++ 0.000 {?} 0.00000 1.12010 0 {?} 0 381 {11.HA2} 3.773 0.038 0.078 ++ 0.000 {?} {11.HN} 8.226 0.037 0.076 ++ 0.000 {?} 7.86913 7.86910 0 {?} 0 382 {11.HA2} 3.774 0.030 0.090 ++ 0.000 {?} {11.HA1} 4.074 0.047 0.102 ++ 0.000 {?} 53.21136 53.21140 0 {?} 0 383 {12.HN} 7.801 0.021 0.041 ++ 0.000 {?} {9.HD21} 0.882 0.034 0.044 ++ 0.000 {?} 1.38898 1.38900 0 {?} 0 384 {?} 7.801 0.022 0.036 ++ 0.000 {?} {?} 1.061 0.034 0.062 ++ 0.000 {?} 0.00000 2.56790 0 {?} 0 385 {12.HN} 7.806 0.033 0.035 ++ 0.000 {?} {10.HB2} 1.461 0.039 0.045 ++ 0.000 {?} 1.55190 1.55190 0 {?} 0 386 {12.HN} 7.801 0.021 0.043 ++ 0.000 {?} {12.HG1} 1.531 0.034 0.060 ++ 0.000 {?} 6.44820 6.44820 0 {?} 0 387 {12.HN} 7.793 0.029 0.058 ++ 0.000 {?} {12.HD2} 1.640 0.029 0.064 ++ 0.000 {?} 14.52253 14.52250 0 {?} 0 388 {12.HN} 7.803 0.021 0.075 ++ 0.000 {?} {12.HD1} 1.730 0.024 0.035 ++ 0.000 {?} 2.65873 2.65870 0 {?} 0 389 {12.HN} 7.801 0.026 0.054 ++ 0.000 {?} {12.HB2} 1.906 0.037 0.078 ++ 0.000 {?} 9.04092 9.04090 0 {?} 0 390 {12.HN} 7.801 0.025 0.059 ++ 0.000 {?} {12.HB1} 2.109 0.032 0.076 ++ 0.000 {?} 20.80779 20.80780 0 {?} 0 391 {12.HN} 7.802 0.027 0.035 ++ 0.000 {?} {13.HB} 2.261 0.036 0.048 ++ 0.000 {?} 2.14877 2.14880 0 {?} 0 392 {12.HN} 7.809 0.013 0.043 ++ 0.000 {?} {8.HB1} 2.956 0.031 0.067 ++ 0.000 {?} 3.79868 3.79870 0 {?} 0 393 {12.HN} 7.804 0.021 0.025 ++ 0.000 {?} {13.HA} 3.653 0.032 0.028 ++ 0.000 {?} 1.30808 1.30810 0 {?} 0 394 {12.HN} 7.801 0.026 0.030 ++ 0.000 {?} {8.HA} 4.470 0.044 0.051 ++ 0.000 {?} 1.77994 1.77990 0 {?} 0 395 {?} 4.195 0.038 0.044 ++ 0.000 {?} {?} 0.885 0.036 0.035 ++ 0.000 {?} 0.00000 1.43010 0 {?} 0 396 {12.HA} 4.196 0.028 0.052 ++ 0.000 {?} {12.HG1} 1.535 0.048 0.081 ++ 0.000 {?} 8.63233 8.63230 1 {?} 0 397 {12.HA} 4.197 0.031 0.046 ++ 0.000 {?} {12.HD2} 1.643 0.044 0.073 ++ 0.000 {?} 4.07514 4.07510 0 {?} 0 398 {12.HA} 4.194 0.033 0.037 ++ 0.000 {?} {12.HD1} 1.739 0.045 0.051 ++ 0.000 {?} 1.52976 1.52980 0 {?} 0 399 {?} 4.196 0.037 0.126 ++ 0.000 {?} {?} 1.204 0.036 0.079 ++ 0.000 {?} 0.00000 15.43390 0 {?} 0 400 {12.HA} 4.196 0.027 0.049 ++ 0.000 {?} {12.HB2} 1.904 0.035 0.075 ++ 0.000 {?} 8.66270 8.66270 0 {?} 0 401 {12.HA} 4.199 0.033 0.048 ++ 0.000 {?} {12.HB1} 2.112 0.034 0.070 ++ 0.000 {?} 4.94544 4.94540 0 {?} 0 402 {?} 4.195 0.023 0.020 ++ 0.000 {?} {?} 2.952 0.026 0.021 ++ 0.000 {?} 0.00000 1.20000 0 {?} 0 403 {12.HB1} 2.110 0.039 0.084 ++ 0.000 {?} {12.HB2} 1.905 0.044 0.100 ++ 0.000 {?} 42.86740 42.86740 0 {?} 0 404 {12.HB2} 1.902 0.035 0.068 ++ 0.000 {?} {12.HB1} 2.109 0.031 0.072 ++ 0.000 {?} 59.79666 59.79670 0 {?} 0 405 {?} 2.109 0.048 0.051 ++ 0.000 {?} {?} 2.961 0.046 0.052 ++ 0.000 {?} 0.00000 1.18640 0 {?} 0 406 {?} 1.905 0.031 0.038 ++ 0.000 {?} {?} 2.957 0.049 0.062 ++ 0.000 {?} 0.00000 1.96940 0 {?} 0 407 {12.HB1} 2.108 0.038 0.071 ++ 0.000 {?} {12.HA} 4.197 0.027 0.054 ++ 0.000 {?} 10.47755 10.47750 0 {?} 0 408 {12.HB2} 1.903 0.035 0.070 ++ 0.000 {?} {12.HA} 4.196 0.025 0.053 ++ 0.000 {?} 16.86262 16.86260 0 {?} 0 409 {12.HB1} 2.110 0.039 0.067 ++ 0.000 {?} {13.HN} 8.067 0.042 0.082 ++ 0.000 {?} 6.67374 6.67370 0 {?} 0 410 {12.HB2} 1.909 0.038 0.069 ++ 0.000 {?} {13.HN} 8.065 0.037 0.064 ++ 0.000 {?} 4.15587 4.15590 0 {?} 0 411 {12.HA} 4.195 0.029 0.048 ++ 0.000 {?} {12.HN} 7.800 0.046 0.073 ++ 0.000 {?} 7.35146 7.35150 0 {?} 0 412 {11.HA1} 4.077 0.030 0.059 ++ 0.000 {?} {12.HN} 7.801 0.041 0.082 ++ 0.000 {?} 7.98247 7.98250 0 {?} 0 413 {11.HA2} 3.772 0.038 0.063 ++ 0.000 {?} {12.HN} 7.802 0.038 0.063 ++ 0.000 {?} 3.72169 3.72170 0 {?} 0 414 {8.HB1} 2.956 0.041 0.068 ++ 0.000 {?} {12.HN} 7.792 0.052 0.081 ++ 0.000 {?} 5.11505 5.11500 -1 {?} 0 415 {13.HB} 2.263 0.033 0.030 ++ 0.000 {?} {12.HN} 7.801 0.045 0.045 ++ 0.000 {?} 1.31430 1.31430 0 {?} 0 416 {12.HB1} 2.109 0.039 0.076 ++ 0.000 {?} {12.HN} 7.802 0.039 0.081 ++ 0.000 {?} 15.56865 15.56870 0 {?} 0 417 {12.HB2} 1.907 0.036 0.063 ++ 0.000 {?} {12.HN} 7.796 0.032 0.080 ++ 0.000 {?} 8.96882 8.96880 0 {?} 0 418 {12.HD1} 1.730 0.030 0.043 ++ 0.000 {?} {12.HN} 7.792 0.043 0.075 ++ 0.000 {?} 3.37294 3.37290 0 {?} 0 419 {12.HD2} 1.641 0.039 0.072 ++ 0.000 {?} {12.HN} 7.798 0.047 0.089 ++ 0.000 {?} 13.00872 13.00870 0 {?} 0 420 {?} 1.541 0.025 0.051 ++ 0.000 {?} {?} 7.768 0.031 0.079 ++ 0.000 {?} 0.00000 3.23160 0 {?} 0 421 {?} 1.541 0.025 0.051 ++ 0.000 {?} {?} 7.768 0.031 0.079 ++ 0.000 {?} 0.00000 1.06830 0 {?} 0 422 {?} 1.541 0.025 0.051 ++ 0.000 {?} {?} 7.768 0.031 0.079 ++ 0.000 {?} 0.00000 0.75250 0 {?} 0 423 {?} 1.460 0.020 0.021 ++ 0.000 {?} {?} 7.804 0.032 0.034 ++ 0.000 {?} 0.00000 1.07790 0 {?} 0 424 {?} 4.198 0.025 0.030 ++ 0.000 {?} {?} 4.425 0.024 0.034 ++ 0.000 {?} 0.00000 2.46530 0 {?} 0 425 {?} 4.201 0.030 0.046 ++ 0.000 {?} {?} 4.776 0.031 0.050 ++ 0.000 {?} 0.00000 3.39170 0 {?} 0 426 {?} 4.197 0.010 0.010 ++ 0.000 {?} {?} 6.436 0.029 0.022 ++ 0.000 {?} 0.00000 1.18870 0 {?} 0 427 {?} 4.194 0.022 0.037 ++ 0.000 {?} {?} 8.076 0.034 0.060 ++ 0.000 {?} 0.00000 1.75210 0 {?} 0 428 {12.HA} 4.195 0.026 0.033 ++ 0.000 {?} {15.HN} 8.287 0.032 0.043 ++ 0.000 {?} 2.14701 2.14700 0 {?} 0 429 {?} 1.256 0.023 0.043 ++ 0.000 {?} {?} 7.769 0.030 0.067 ++ 0.000 {?} 0.00000 12.83840 0 {?} 0 430 {?} 0.942 0.022 0.031 ++ 0.000 {?} {?} 7.769 0.034 0.064 ++ 0.000 {?} 0.00000 3.21520 0 {?} 0 431 {?} 0.889 0.024 0.038 ++ 0.000 {?} {?} 7.772 0.032 0.060 ++ 0.000 {?} 0.00000 5.30890 0 {?} 0 432 {13.HG11} 1.058 0.021 0.031 ++ 0.000 {?} {12.HN} 7.799 0.050 0.077 ++ 0.000 {?} 1.83213 1.83210 0 {?} 0 433 {12.HD1} 1.730 0.022 0.039 ++ 0.000 {?} {12.HD2} 1.643 0.033 0.064 ++ 0.000 {?} 30.72285 30.72290 0 {?} 0 434 {12.HD2} 1.647 0.024 0.034 ++ 0.000 {?} {12.HD1} 1.735 0.027 0.052 ++ 0.000 {?} 27.01326 27.01330 0 {?} 0 435 {12.HB1} 2.110 0.047 0.088 ++ 0.000 {?} {12.HD2} 1.642 0.037 0.082 ++ 0.000 {?} 10.82269 10.82270 0 {?} 0 436 {12.HB1} 2.107 0.029 0.031 ++ 0.000 {?} {12.HD1} 1.731 0.030 0.033 ++ 0.000 {?} 1.05965 1.05960 0 {?} 0 437 {12.HD1} 1.730 0.031 0.040 ++ 0.000 {?} {12.HB1} 2.113 0.039 0.060 ++ 0.000 {?} 3.16770 3.16770 0 {?} 0 438 {12.HD2} 1.640 0.039 0.073 ++ 0.000 {?} {12.HB1} 2.109 0.039 0.082 ++ 0.000 {?} 12.19509 12.19510 0 {?} 0 439 {?} 1.722 0.043 0.105 ++ 0.000 {?} {?} 2.958 0.032 0.068 ++ 0.000 {?} 0.00000 5.71590 0 {?} 0 440 {?} 1.643 0.040 0.085 ++ 0.000 {?} {?} 2.959 0.031 0.071 ++ 0.000 {?} 0.00000 9.80530 0 {?} 0 441 {12.HD2} 1.648 0.033 0.058 ++ 0.000 {?} {9.HA} 4.080 0.032 0.074 ++ 0.000 {?} 9.45890 9.45890 0 {?} 0 442 {12.HD1} 1.731 0.036 0.051 ++ 0.000 {?} {12.HN} 4.194 0.043 0.069 ++ 0.000 {?} 3.64859 3.64860 0 {?} 0 443 {12.HD2} 1.646 0.032 0.052 ++ 0.000 {?} {12.HN} 4.199 0.039 0.073 ++ 0.000 {?} 8.68720 8.68720 0 {?} 0 444 {13.HN} 8.065 0.029 0.057 ++ 0.000 {?} {12.HB1} 2.108 0.040 0.086 ++ 0.000 {?} 8.67851 8.67850 0 {?} 0 445 {13.HN} 8.065 0.025 0.045 ++ 0.000 {?} {12.HB2} 1.907 0.051 0.096 ++ 0.000 {?} 7.41463 7.41460 0 {?} 0 446 {?} 4.196 0.028 0.052 ++ 0.000 {?} {?} 1.535 0.048 0.081 ++ 0.000 {?} 0.00000 4.51820 0 {?} 0 447 {12.HB1} 2.107 0.043 0.061 ++ 0.000 {?} {12.HG1} 1.531 0.033 0.055 ++ 0.000 {?} 4.01750 4.01750 0 {?} 0 448 {12.HG1} 1.539 0.029 0.052 ++ 0.000 {?} {12.HN} 4.206 0.036 0.066 ++ 0.000 {?} 4.94094 4.94090 0 {?} 0 449 {13.HN} 8.068 0.026 0.032 ++ 0.000 {?} {12.HG1} 1.535 0.042 0.047 ++ 0.000 {?} 1.69105 1.69110 0 {?} 0 450 {13.HN} 8.061 0.025 0.029 ++ 0.000 {?} {10.HB1} 1.461 0.034 0.042 ++ 0.000 {?} 1.30081 1.30080 0 {?} 0 451 {13.HN} 8.063 0.028 0.034 ++ 0.000 {?} {12.HD2} 1.637 0.034 0.047 ++ 0.000 {?} 2.33418 2.33420 0 {?} 0 452 {13.HN} 8.062 0.026 0.032 ++ 0.000 {?} {12.HD1} 1.747 0.044 0.052 ++ 0.000 {?} 1.80541 1.80540 0 {?} 0 453 {8.HN} 7.984 0.025 0.051 ++ 0.000 {?} {7.HB2} 1.744 0.079 0.087 ++ 0.000 {?} 5.29007 5.29010 0 {?} 0 454 {8.HN} 7.984 0.027 0.056 ++ 0.000 {?} {7.HB1} 1.819 0.045 0.093 ++ 0.000 {?} 10.20659 10.20660 0 {?} 0 455 {14.HN} 8.457 0.019 0.020 ++ 0.000 {?} {12.HN} 7.794 0.053 0.058 ++ 0.000 {?} 0.92290 0.92290 0 {?} 0 456 {12.HN} 7.803 0.022 0.041 ++ 0.000 {?} {14.HN} 8.458 0.045 0.073 ++ 0.000 {?} 2.46374 2.46370 0 {?} 0 457 {?} 7.765 0.022 0.036 ++ 0.000 {?} {?} 8.462 0.039 0.071 ++ 0.000 {?} 0.00000 1.01850 0 {?} 0 458 {14.HN} 8.455 0.022 0.052 ++ 0.000 {?} {13.HA} 3.654 0.024 0.055 ++ 0.000 {?} 5.91543 5.91540 0 {?} 0 459 {14.HN} 8.455 0.023 0.070 ++ 0.000 {?} {13.HB} 2.266 0.042 0.085 ++ 0.000 {?} 21.26470 21.26470 0 {?} 0 460 {?} 8.457 0.027 0.085 ++ 0.000 {?} {?} 1.749 0.039 0.084 ++ 0.000 {?} 0.00000 18.83010 0 {?} 0 461 {?} 8.459 0.027 0.038 ++ 0.000 {?} {?} 1.462 0.031 0.049 ++ 0.000 {?} 0.00000 1.80420 0 {?} 0 462 {14.HA} 3.683 0.027 0.049 ++ 0.000 {?} {14.HB} 1.938 0.066 0.102 ++ 0.000 {?} 17.37460 17.37460 0 {?} 0 463 {?} 3.681 0.026 0.047 ++ 0.000 {?} {?} 1.749 0.039 0.079 ++ 0.000 {?} 0.00000 12.69080 0 {?} 0 464 {?} 3.681 0.025 0.034 ++ 0.000 {?} {?} 1.610 0.044 0.117 ++ 0.000 {?} 0.00000 2.25440 0 {?} 0 465 {?} 3.683 0.027 0.052 ++ 0.000 {?} {?} 1.186 0.044 0.087 ++ 0.000 {?} 0.00000 18.24610 0 {?} 0 466 {14.HA} 3.680 0.026 0.045 ++ 0.000 {?} {14.HD11} 0.871 0.047 0.070 ++ 0.000 {?} 7.54878 7.54880 0 {?} 0 467 {14.HA} 3.679 0.028 0.052 ++ 0.000 {?} {14.HG21} 0.949 0.044 0.094 ++ 0.000 {?} 12.85080 12.85080 0 {?} 0 468 {14.HA} 0.866 0.028 0.043 ++ 0.000 {?} {14.HN} 8.458 0.043 0.077 ++ 0.000 {?} 6.96334 6.96330 -1 {?} 0 469 {10.HA} 3.920 0.031 0.040 ++ 0.000 {?} {14.HN} 8.460 0.037 0.050 ++ 0.000 {?} 2.68428 2.68430 0 {?} 0 470 {11.HA1} 3.777 0.043 0.043 ++ 0.000 {?} {14.HN} 8.454 0.060 0.072 ++ 0.000 {?} 2.19995 2.19990 0 {?} 0 471 {14.HA} 3.682 0.027 0.047 ++ 0.000 {?} {14.HN} 8.459 0.038 0.075 ++ 0.000 {?} 14.56350 14.56350 0 {?} 0 472 {?} 3.613 0.014 0.022 ++ 0.000 {?} {?} 8.460 0.032 0.070 ++ 0.000 {?} 0.00000 4.96060 0 {?} 0 473 {13.HB} 2.260 0.038 0.070 ++ 0.000 {?} {14.HN} 8.459 0.038 0.077 ++ 0.000 {?} 15.15305 15.15310 0 {?} 0 474 {14.HB} 1.940 0.036 0.071 ++ 0.000 {?} {14.HN} 8.459 0.038 0.079 ++ 0.000 {?} 21.74206 21.74210 0 {?} 0 475 {?} 1.750 0.035 0.073 ++ 0.000 {?} {?} 8.459 0.039 0.079 ++ 0.000 {?} 0.00000 16.10990 0 {?} 0 476 {14.HG11} 1.183 0.036 0.059 ++ 0.000 {?} {14.HN} 8.461 0.034 0.062 ++ 0.000 {?} 4.63229 4.63230 0 {?} 0 477 {14.HG12} 1.058 0.021 0.034 ++ 0.000 {?} {14.HN} 8.459 0.038 0.069 ++ 0.000 {?} 2.08309 2.08310 0 {?} 0 478 {14.HG21} 0.941 0.021 0.042 ++ 0.000 {?} {14.HN} 8.459 0.039 0.078 ++ 0.000 {?} 7.57676 7.57680 0 {?} 0 479 {14.HD11} 0.866 0.028 0.043 ++ 0.000 {?} {14.HN} 8.458 0.043 0.077 ++ 0.000 {?} 6.36363 6.36360 0 {?} 0 480 {14.HB} 1.948 0.037 0.079 ++ 0.000 {?} {14.HD11} 0.887 0.031 0.075 ++ 0.000 {?} 52.54314 52.54310 0 {?} 0 481 {14.HB} 1.941 0.034 0.069 ++ 0.000 {?} {14.HG21} 0.939 0.031 0.070 ++ 0.000 {?} 30.48846 30.48850 0 {?} 0 482 {?} 1.938 0.033 0.058 ++ 0.000 {?} {?} 1.180 0.032 0.063 ++ 0.000 {?} 0.00000 8.39660 0 {?} 0 483 {?} 1.938 0.031 0.053 ++ 0.000 {?} {?} 1.748 0.032 0.060 ++ 0.000 {?} 0.00000 11.57750 0 {?} 0 484 {14.HG21} 0.941 0.021 0.044 ++ 0.000 {?} {14.HB} 1.939 0.037 0.086 ++ 0.000 {?} 54.65183 54.65180 0 {?} 0 485 {14.HD11} 0.860 0.015 0.035 ++ 0.000 {?} {14.HG21} 1.944 0.038 0.108 ++ 0.000 {?} 29.88274 29.88270 0 {?} 0 486 {15.HA1} 3.938 0.038 0.054 ++ 0.000 {?} {15.HA2} 3.824 0.036 0.070 ++ 0.000 {?} 22.75939 22.75940 0 {?} 0 487 {15.HA2} 3.832 0.040 0.061 ++ 0.000 {?} {15.HA1} 3.939 0.051 0.099 ++ 0.000 {?} 30.60905 30.60910 0 {?} 0 488 {15.HA1} 3.929 0.038 0.078 ++ 0.000 {?} {15.HN} 8.289 0.038 0.081 ++ 0.000 {?} 16.20065 16.20060 0 {?} 0 489 {15.HA2} 3.828 0.037 0.064 ++ 0.000 {?} {15.HN} 8.290 0.038 0.079 ++ 0.000 {?} 12.91671 12.91670 0 {?} 0 490 {14.HN} 3.683 0.025 0.043 ++ 0.000 {?} {15.HN} 8.290 0.035 0.061 ++ 0.000 {?} 5.46694 5.46690 0 {?} 0 491 {14.HB} 1.940 0.037 0.066 ++ 0.000 {?} {15.HN} 8.290 0.038 0.075 ++ 0.000 {?} 7.40135 7.40140 0 {?} 0 492 {6.HA} 3.904 0.028 0.055 ++ 0.000 {?} {9.HB2} 1.615 0.032 0.078 ++ 0.000 {?} 8.24688 8.24690 0 {?} 0 493 {6.HA} 3.903 0.027 0.056 ++ 0.000 {?} {9.HD11} 0.886 0.046 0.093 ++ 0.000 {?} 5.85166 5.85170 0 {?} 0 494 {6.HB2} 1.558 0.033 0.046 ++ 0.000 {?} {3.HD1} 7.310 0.044 0.062 ++ 0.000 {?} 2.17291 2.17290 -1 {?} 0 495 {8.HD21} 7.724 0.022 0.035 ++ 0.000 {?} {5.HB} 3.971 0.034 0.065 ++ 0.000 {?} 4.57533 4.57530 0 {?} 0 496 {?} 7.722 0.021 0.030 ++ 0.000 {?} {?} 4.469 0.042 0.063 ++ 0.000 {?} 0.00000 2.91590 0 {?} 0 497 {8.HN} 7.984 0.027 0.043 ++ 0.000 {?} {5.HB} 3.973 0.025 0.082 ++ 0.000 {?} 5.98566 5.98570 0 {?} 0 498 {8.HN} 7.983 0.020 0.019 ++ 0.000 {?} {9.HA} 4.078 0.044 0.041 ++ 0.000 {?} 1.37934 1.37930 0 {?} 0 499 {8.HN} 7.984 0.024 0.031 ++ 0.000 {?} {4.HA} 4.305 0.033 0.046 ++ 0.000 {?} 2.28922 2.28920 0 {?} 0 500 {9.HN} 8.255 0.007 0.022 ++ 0.000 {?} {5.HB} 3.958 0.023 0.043 ++ 0.000 {?} 1.07856 1.07860 0 {?} 0 501 {5.HN} 7.901 0.026 0.048 ++ 0.000 {?} {6.HG} 1.201 0.035 0.071 ++ 0.000 {?} 7.25453 7.25450 0 {?} 0 502 {5.HN} 7.905 0.033 0.033 ++ 0.000 {?} {6.HD21} 0.841 0.052 0.048 ++ 0.000 {?} 1.37775 1.37780 0 {?} 0 503 {?} 3.973 0.032 0.032 ++ 0.000 {?} {?} 1.839 0.057 0.054 ++ 0.000 {?} 0.00000 1.44350 0 {?} 0 504 {?} 3.968 0.028 0.033 ++ 0.000 {?} {?} 1.543 0.051 0.059 ++ 0.000 {?} 0.00000 1.47700 0 {?} 0 505 {?} 3.971 0.020 0.057 ++ 0.000 {?} {?} 1.203 0.037 0.085 ++ 0.000 {?} 0.00000 15.45280 0 {?} 0 506 {?} 3.978 0.028 0.056 ++ 0.000 {?} {?} 0.886 0.048 0.063 ++ 0.000 {?} 0.00000 1.96520 0 {?} 0 507 {?} 7.256 0.022 0.033 ++ 0.000 {?} {?} 4.266 0.040 0.064 ++ 0.000 {?} 0.00000 3.19750 0 {?} 0 508 {?} 7.255 0.023 0.037 ++ 0.000 {?} {?} 4.322 0.055 0.117 ++ 0.000 {?} 0.00000 4.19840 0 {?} 0 509 {?} 7.255 0.024 0.029 ++ 0.000 {?} {?} 1.259 0.032 0.041 ++ 0.000 {?} 0.00000 1.99830 0 {?} 0 510 {?} 7.256 0.021 0.021 ++ 0.000 {?} {?} 3.830 0.038 0.038 ++ 0.000 {?} 0.00000 1.01890 0 {?} 0 511 {?} 7.257 0.018 0.018 ++ 0.000 {?} {?} 3.927 0.034 0.034 ++ 0.000 {?} 0.00000 1.08050 0 {?} 0 512 {18.HN} 7.767 0.025 0.045 ++ 0.000 {?} {18.OT1} 7.257 0.029 0.059 ++ 0.000 {?} 0.00000 12.23390 0 {?} 0 513 {18.OT1} 7.256 0.023 0.050 ++ 0.000 {?} {18.HN} 7.771 0.032 0.075 ++ 0.000 {?} 0.00000 15.30480 0 {?} 0 514 {?} 8.804 0.028 0.032 ++ 0.000 {?} {?} 4.769 0.041 0.049 ++ 0.000 {?} 0.00000 1.67120 0 {?} 0 515 {1.HT1} 8.804 0.026 0.053 ++ 0.000 {?} {1.HA} 4.421 0.044 0.079 ++ 0.000 {?} 0.00000 7.64990 0 {?} 0 516 {?} 9.429 0.034 0.108 ++ 0.000 {?} {?} 4.772 0.043 0.088 ++ 0.000 {?} 0.00000 23.51660 0 {?} 0 517 {2.HN} 9.428 0.031 0.071 ++ 0.000 {?} {2.HA} 4.439 0.038 0.075 ++ 0.000 {?} 0.00000 10.22070 0 {?} 0 518 {2.HN} 9.428 0.031 0.057 ++ 0.000 {?} {3.HB1} 3.058 0.039 0.068 ++ 0.000 {?} 0.00000 1.86580 0 {?} 0 519 {2.HN} 9.428 0.032 0.064 ++ 0.000 {?} {2.HB2} 3.229 0.034 0.069 ++ 0.000 {?} 0.00000 5.55840 0 {?} 0 520 {2.HN} 9.429 0.032 0.049 ++ 0.000 {?} {2.HB1} 3.533 0.036 0.061 ++ 0.000 {?} 0.00000 3.65460 0 {?} 0 521 {15.HN} 8.288 0.027 0.050 ++ 0.000 {?} {14.HB} 1.939 0.037 0.083 ++ 0.000 {?} 3.11281 3.11280 0 {?} 0 522 {2.HN} 9.429 0.031 0.035 ++ 0.000 {?} {3.HN} 8.808 0.042 0.049 ++ 0.000 {?} 0.00000 2.21500 0 {?} 0 523 {3.HN} 8.805 0.024 0.028 ++ 0.000 {?} {2.HN} 9.434 0.037 0.043 ++ 0.000 {?} 0.00000 2.01190 0 {?} 0 524 {2.HN} 9.428 0.020 0.020 ++ 0.000 {?} {1.HD1} 7.093 0.032 0.023 ++ 0.000 {?} 0.00000 1.43010 0 {?} 0 525 {2.HD1} 7.378 0.020 0.023 ++ 0.000 {?} {3.HN} 8.804 0.044 0.058 ++ 0.000 {?} 0.00000 2.50940 0 {?} 0 526 {3.HD1} 7.308 0.022 0.032 ++ 0.000 {?} {3.HN} 8.808 0.050 0.078 ++ 0.000 {?} 0.00000 2.62340 0 {?} 0 527 {1.HD1} 7.091 0.020 0.029 ++ 0.000 {?} {1.HT1} 8.807 0.048 0.074 ++ 0.000 {?} 0.00000 2.59100 0 {?} 0 528 {1.HD1} 7.090 0.021 0.022 ++ 0.000 {?} {2.HN} 9.433 0.034 0.036 ++ 0.000 {?} 0.00000 1.94860 0 {?} 0 529 {2.HD1} 7.381 0.023 0.020 ++ 0.000 {?} {2.HN} 9.426 0.037 0.030 ++ 0.000 {?} 0.00000 1.25020 0 {?} 0 530 {?} 2.842 0.047 0.063 ++ 0.000 {?} {?} 7.828 0.049 0.070 ++ 0.000 {?} 0.00000 3.48900 0 {?} 0 531 {?} 7.834 0.029 0.056 ++ 0.000 {?} {?} 1.696 0.029 0.063 ++ 0.000 {?} 0.00000 2.24120 0 {?} 0 532 {?} 7.820 0.040 0.067 ++ 0.000 {?} {?} 2.840 0.041 0.071 ++ 0.000 {?} 0.00000 4.83720 0 {?} 0 533 {7.HB2} 1.815 0.035 0.058 ++ 0.000 {?} {4.HA} 4.305 0.038 0.069 ++ 0.000 {?} 3.24835 3.24830 0 {?} 0 534 {7.HB1} 1.743 0.042 0.067 ++ 0.000 {?} {4.HA} 4.306 0.034 0.061 ++ 0.000 {?} 6.33298 6.33300 0 {?} 0 535 {4.HA} 4.304 0.027 0.029 ++ 0.000 {?} {7.HB2} 1.734 0.068 0.077 ++ 0.000 {?} 2.11425 2.11420 0 {?} 0 536 {4.HA} 4.305 0.023 0.025 ++ 0.000 {?} {7.HB2} 1.818 0.060 0.117 ++ 0.000 {?} 2.02778 2.02780 0 {?} 0 537 {3.HN} 8.803 0.027 0.045 ++ 0.000 {?} {2.HB2} 3.231 0.023 0.040 ++ 0.000 {?} 0.00000 5.07660 0 {?} 0 538 {3.HN} 8.803 0.025 0.032 ++ 0.000 {?} {2.HB1} 3.533 0.034 0.047 ++ 0.000 {?} 0.00000 2.09350 0 {?} 0 539 {1.HD1} 7.091 0.025 0.043 ++ 0.000 {?} {1.HB2} 3.058 0.042 0.086 ++ 0.000 {?} 0.00000 17.51730 0 {?} 0 540 {1.HD1} 7.091 0.022 0.041 ++ 0.000 {?} {1.HB1} 3.231 0.033 0.074 ++ 0.000 {?} 0.00000 14.40920 0 {?} 0 541 {2.HD2} 7.379 0.021 0.040 ++ 0.000 {?} {2.HB2} 3.223 0.043 0.086 ++ 0.000 {?} 0.00000 24.41830 0 {?} 0 542 {2.HD1} 7.379 0.020 0.039 ++ 0.000 {?} {2.HB1} 3.533 0.038 0.082 ++ 0.000 {?} 0.00000 19.69750 0 {?} 0 543 {4.HN} 7.917 0.027 0.038 ++ 0.000 {?} {2.HB2} 3.225 0.038 0.065 ++ 0.000 {?} 0.00000 2.83280 0 {?} 0 544 {4.HN} 7.917 0.025 0.028 ++ 0.000 {?} {4.HB2} 3.531 0.038 0.047 ++ 0.000 {?} 0.00000 1.63470 0 {?} 0 545 {2.HN} 9.428 0.016 0.022 ++ 0.000 {?} {2.HD1} 7.382 0.039 0.025 ++ 0.000 {?} 0.00000 0.94130 0 {?} 0 546 {3.HN} 8.804 0.020 0.028 ++ 0.000 {?} {2.HD1} 7.384 0.026 0.024 ++ 0.000 {?} 0.00000 1.18600 0 {?} 0 547 {18.HN} 7.768 0.025 0.053 ++ 0.000 {?} {18.HA} 4.326 0.032 0.051 ++ 0.000 {?} 0.00000 27.54650 0 {?} 0 548 {?} 7.196 0.018 0.029 ++ 0.000 {?} {?} 7.091 0.017 0.035 ++ 0.000 {?} 0.00000 57.45200 0 {?} 0 549 {?} 7.090 0.019 0.031 ++ 0.000 {?} {?} 7.197 0.016 0.031 ++ 0.000 {?} 0.00000 90.39490 0 {?} 0 550 {?} 7.096 0.026 0.048 ++ 0.000 {?} {?} 4.770 0.040 0.081 ++ 0.000 {?} 0.00000 5.56980 0 {?} 0 551 {?} 7.091 0.025 0.042 ++ 0.000 {?} {?} 4.421 0.047 0.084 ++ 0.000 {?} 0.00000 16.04500 0 {?} 0 552 {?} 7.090 0.024 0.032 ++ 0.000 {?} {?} 4.206 0.033 0.052 ++ 0.000 {?} 0.00000 2.45900 0 {?} 0 553 {?} 7.091 0.022 0.037 ++ 0.000 {?} {?} 4.115 0.042 0.075 ++ 0.000 {?} 0.00000 4.88420 0 {?} 0 554 {?} 7.090 0.022 0.031 ++ 0.000 {?} {?} 1.556 0.054 0.079 ++ 0.000 {?} 0.00000 3.21980 0 {?} 0 555 {?} 7.091 0.023 0.032 ++ 0.000 {?} {?} 1.202 0.030 0.045 ++ 0.000 {?} 0.00000 2.41860 0 {?} 0 556 {?} 7.090 0.023 0.037 ++ 0.000 {?} {?} 0.833 0.044 0.083 ++ 0.000 {?} 0.00000 8.15500 0 {?} 0 557 {?} 7.140 0.023 0.036 ++ 0.000 {?} {?} 0.829 0.044 0.083 ++ 0.000 {?} 0.00000 6.67640 0 {?} 0 558 {?} 7.194 0.023 0.042 ++ 0.000 {?} {?} 0.831 0.052 0.087 ++ 0.000 {?} 0.00000 11.86520 0 {?} 0 559 {?} 7.307 0.025 0.044 ++ 0.000 {?} {?} 0.832 0.049 0.084 ++ 0.000 {?} 0.00000 10.46730 0 {?} 0 560 {?} 7.380 0.019 0.027 ++ 0.000 {?} {?} 0.835 0.036 0.059 ++ 0.000 {?} 0.00000 2.96970 0 {?} 0 561 {?} 7.343 0.015 0.021 ++ 0.000 {?} {?} 7.249 0.007 0.015 ++ 0.000 {?} 0.00000 78.27060 0 {?} 0 562 {?} 7.250 0.018 0.030 ++ 0.000 {?} {?} 7.340 0.014 0.028 ++ 0.000 {?} 0.00000 128.63921 0 {?} 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H 2 . 9615 Hz . . . 4.71 . . 30864 1 2 . . H 1 H 1 . 9615 Hz . . . 4.71 . . 30864 1 stop_ save_