data_16819 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16819 _Entry.Title ; The solution structure of the dimeric culbertcidin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-01 _Entry.Accession_date 2010-04-01 _Entry.Last_release_date 2012-08-03 _Entry.Original_release_date 2012-08-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Matthias Michalek . . . 16819 2 Rainer Wechselberger . . . 16819 3 Frank Soennichsen . . . 16819 4 Andrew Dingley . J. . 16819 5 Hans Wienk . . . 16819 6 Maren Simanski . . . 16819 7 Rosa Herbst . . . 16819 8 Inken Lorenzen . . . 16819 9 Christoph Gelhaus . . . 16819 10 Joachim 'Gr tzinger' . . . 16819 11 Matthias Leippe . . . 16819 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 16819 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'antimicrobial peptide' . 16819 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16819 spectral_peak_list 1 16819 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 43 16819 '1H chemical shifts' 220 16819 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 . . 2012-08-03 2010-04-01 original author . 16819 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16727 'monomeric culbertcidin' 16819 PDB 2ku8 'monomeric culbertcidin' 16819 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16819 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the culberticidin dimer' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Matthias Michalek . . . 16819 1 2 Rainer Wechselberger . . . 16819 1 3 Frank Soennichsen . . . 16819 1 4 Andrew Dingley . J. . 16819 1 5 Hans Wienk . . . 16819 1 6 Maren Simanski . . . 16819 1 7 Rosa Herbst . . . 16819 1 8 Inken Lorenzen . . . 16819 1 9 Christoph Gelhaus . . . 16819 1 10 Joachim 'Gr tzinger' . . . 16819 1 11 Matthias Leippe . . . 16819 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16819 _Assembly.ID 1 _Assembly.Name culbertcidin _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 monomer1 1 $monomer A . yes native no no . . . 16819 1 2 monomer2 1 $monomer B . yes native no no . . . 16819 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 5 5 SG . 1 . 1 CYS 42 42 SG . . . . . . . . . . 16819 1 2 disulfide single . 1 . 1 CYS 13 13 SG . 1 . 1 CYS 45 45 SG . . . . . . . . . . 16819 1 3 disulfide single . 1 . 1 CYS 24 24 SG . 1 . 1 CYS 31 31 SG . . . . . . . . . . 16819 1 4 disulfide single . 1 . 1 CYS 47 47 SG . 1 . 1 CYS 55 55 SG . . . . . . . . . . 16819 1 5 disulfide single . 1 . 1 CYS 51 51 SG . 1 . 1 CYS 61 61 SG . . . . . . . . . . 16819 1 6 disulfide single . 1 . 1 CYS 66 66 SG . 1 . 1 CYS 103 103 SG . . . . . . . . . . 16819 1 7 disulfide single . 1 . 1 CYS 74 74 SG . 1 . 1 CYS 106 106 SG . . . . . . . . . . 16819 1 8 disulfide single . 1 . 1 CYS 85 85 SG . 1 . 1 CYS 92 92 SG . . . . . . . . . . 16819 1 9 disulfide single . 1 . 1 CYS 108 108 SG . 1 . 1 CYS 116 116 SG . . . . . . . . . . 16819 1 10 disulfide single . 1 . 1 CYS 112 112 SG . 1 . 1 CYS 122 122 SG . . . . . . . . . . 16819 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_monomer _Entity.Sf_category entity _Entity.Sf_framecode monomer _Entity.Entry_ID 16819 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name culbertcidin _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 ; AMGKCSVLKKVACAAAIAGA VAACGGIDLPCVLAALKAAE GCASCFCEDHCHGVCKDLHL CAMGKCSVLKKVACAAAIAG AVAACGGIDLPCVLAALKAA EGCASCFCEDHCHGVCKDLH LC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6054.9 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16727 . culbertcidin . . . . . 50.00 61 100.00 100.00 3.02e-29 . . . . 16819 1 2 no BMRB 18357 . acanthaporin . . . . . 50.00 61 100.00 100.00 3.02e-29 . . . . 16819 1 3 no BMRB 18358 . acanthaporin_dimer . . . . . 50.00 61 100.00 100.00 3.02e-29 . . . . 16819 1 4 no PDB 2LRD . "The Solution Structure Of The Monomeric Acanthaporin" . . . . . 50.00 61 100.00 100.00 3.02e-29 . . . . 16819 1 5 no PDB 2LRE . "The Solution Structure Of The Dimeric Acanthaporin" . . . . . 50.00 61 100.00 100.00 3.02e-29 . . . . 16819 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 16819 1 2 . MET . 16819 1 3 . GLY . 16819 1 4 . LYS . 16819 1 5 . CYS . 16819 1 6 . SER . 16819 1 7 . VAL . 16819 1 8 . LEU . 16819 1 9 . LYS . 16819 1 10 . LYS . 16819 1 11 . VAL . 16819 1 12 . ALA . 16819 1 13 . CYS . 16819 1 14 . ALA . 16819 1 15 . ALA . 16819 1 16 . ALA . 16819 1 17 . ILE . 16819 1 18 . ALA . 16819 1 19 . GLY . 16819 1 20 . ALA . 16819 1 21 . VAL . 16819 1 22 . ALA . 16819 1 23 . ALA . 16819 1 24 . CYS . 16819 1 25 . GLY . 16819 1 26 . GLY . 16819 1 27 . ILE . 16819 1 28 . ASP . 16819 1 29 . LEU . 16819 1 30 . PRO . 16819 1 31 . CYS . 16819 1 32 . VAL . 16819 1 33 . LEU . 16819 1 34 . ALA . 16819 1 35 . ALA . 16819 1 36 . LEU . 16819 1 37 . LYS . 16819 1 38 . ALA . 16819 1 39 . ALA . 16819 1 40 . GLU . 16819 1 41 . GLY . 16819 1 42 . CYS . 16819 1 43 . ALA . 16819 1 44 . SER . 16819 1 45 . CYS . 16819 1 46 . PHE . 16819 1 47 . CYS . 16819 1 48 . GLU . 16819 1 49 . ASP . 16819 1 50 . HIS . 16819 1 51 . CYS . 16819 1 52 . HIS . 16819 1 53 . GLY . 16819 1 54 . VAL . 16819 1 55 . CYS . 16819 1 56 . LYS . 16819 1 57 . ASP . 16819 1 58 . LEU . 16819 1 59 . HIS . 16819 1 60 . LEU . 16819 1 61 . CYS . 16819 1 62 . ALA . 16819 1 63 . MET . 16819 1 64 . GLY . 16819 1 65 . LYS . 16819 1 66 . CYS . 16819 1 67 . SER . 16819 1 68 . VAL . 16819 1 69 . LEU . 16819 1 70 . LYS . 16819 1 71 . LYS . 16819 1 72 . VAL . 16819 1 73 . ALA . 16819 1 74 . CYS . 16819 1 75 . ALA . 16819 1 76 . ALA . 16819 1 77 . ALA . 16819 1 78 . ILE . 16819 1 79 . ALA . 16819 1 80 . GLY . 16819 1 81 . ALA . 16819 1 82 . VAL . 16819 1 83 . ALA . 16819 1 84 . ALA . 16819 1 85 . CYS . 16819 1 86 . GLY . 16819 1 87 . GLY . 16819 1 88 . ILE . 16819 1 89 . ASP . 16819 1 90 . LEU . 16819 1 91 . PRO . 16819 1 92 . CYS . 16819 1 93 . VAL . 16819 1 94 . LEU . 16819 1 95 . ALA . 16819 1 96 . ALA . 16819 1 97 . LEU . 16819 1 98 . LYS . 16819 1 99 . ALA . 16819 1 100 . ALA . 16819 1 101 . GLU . 16819 1 102 . GLY . 16819 1 103 . CYS . 16819 1 104 . ALA . 16819 1 105 . SER . 16819 1 106 . CYS . 16819 1 107 . PHE . 16819 1 108 . CYS . 16819 1 109 . GLU . 16819 1 110 . ASP . 16819 1 111 . HIS . 16819 1 112 . CYS . 16819 1 113 . HIS . 16819 1 114 . GLY . 16819 1 115 . VAL . 16819 1 116 . CYS . 16819 1 117 . LYS . 16819 1 118 . ASP . 16819 1 119 . LEU . 16819 1 120 . HIS . 16819 1 121 . LEU . 16819 1 122 . CYS . 16819 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 . ALA 1 1 16819 1 . MET 2 2 16819 1 . GLY 3 3 16819 1 . LYS 4 4 16819 1 . CYS 5 5 16819 1 . SER 6 6 16819 1 . VAL 7 7 16819 1 . LEU 8 8 16819 1 . LYS 9 9 16819 1 . LYS 10 10 16819 1 . VAL 11 11 16819 1 . ALA 12 12 16819 1 . CYS 13 13 16819 1 . ALA 14 14 16819 1 . ALA 15 15 16819 1 . ALA 16 16 16819 1 . ILE 17 17 16819 1 . ALA 18 18 16819 1 . GLY 19 19 16819 1 . ALA 20 20 16819 1 . VAL 21 21 16819 1 . ALA 22 22 16819 1 . ALA 23 23 16819 1 . CYS 24 24 16819 1 . GLY 25 25 16819 1 . GLY 26 26 16819 1 . ILE 27 27 16819 1 . ASP 28 28 16819 1 . LEU 29 29 16819 1 . PRO 30 30 16819 1 . CYS 31 31 16819 1 . VAL 32 32 16819 1 . LEU 33 33 16819 1 . ALA 34 34 16819 1 . ALA 35 35 16819 1 . LEU 36 36 16819 1 . LYS 37 37 16819 1 . ALA 38 38 16819 1 . ALA 39 39 16819 1 . GLU 40 40 16819 1 . GLY 41 41 16819 1 . CYS 42 42 16819 1 . ALA 43 43 16819 1 . SER 44 44 16819 1 . CYS 45 45 16819 1 . PHE 46 46 16819 1 . CYS 47 47 16819 1 . GLU 48 48 16819 1 . ASP 49 49 16819 1 . HIS 50 50 16819 1 . CYS 51 51 16819 1 . HIS 52 52 16819 1 . GLY 53 53 16819 1 . VAL 54 54 16819 1 . CYS 55 55 16819 1 . LYS 56 56 16819 1 . ASP 57 57 16819 1 . LEU 58 58 16819 1 . HIS 59 59 16819 1 . LEU 60 60 16819 1 . CYS 61 61 16819 1 . ALA 62 62 16819 1 . MET 63 63 16819 1 . GLY 64 64 16819 1 . LYS 65 65 16819 1 . CYS 66 66 16819 1 . SER 67 67 16819 1 . VAL 68 68 16819 1 . LEU 69 69 16819 1 . LYS 70 70 16819 1 . LYS 71 71 16819 1 . VAL 72 72 16819 1 . ALA 73 73 16819 1 . CYS 74 74 16819 1 . ALA 75 75 16819 1 . ALA 76 76 16819 1 . ALA 77 77 16819 1 . ILE 78 78 16819 1 . ALA 79 79 16819 1 . GLY 80 80 16819 1 . ALA 81 81 16819 1 . VAL 82 82 16819 1 . ALA 83 83 16819 1 . ALA 84 84 16819 1 . CYS 85 85 16819 1 . GLY 86 86 16819 1 . GLY 87 87 16819 1 . ILE 88 88 16819 1 . ASP 89 89 16819 1 . LEU 90 90 16819 1 . PRO 91 91 16819 1 . CYS 92 92 16819 1 . VAL 93 93 16819 1 . LEU 94 94 16819 1 . ALA 95 95 16819 1 . ALA 96 96 16819 1 . LEU 97 97 16819 1 . LYS 98 98 16819 1 . ALA 99 99 16819 1 . ALA 100 100 16819 1 . GLU 101 101 16819 1 . GLY 102 102 16819 1 . CYS 103 103 16819 1 . ALA 104 104 16819 1 . SER 105 105 16819 1 . CYS 106 106 16819 1 . PHE 107 107 16819 1 . CYS 108 108 16819 1 . GLU 109 109 16819 1 . ASP 110 110 16819 1 . HIS 111 111 16819 1 . CYS 112 112 16819 1 . HIS 113 113 16819 1 . GLY 114 114 16819 1 . VAL 115 115 16819 1 . CYS 116 116 16819 1 . LYS 117 117 16819 1 . ASP 118 118 16819 1 . LEU 119 119 16819 1 . HIS 120 120 16819 1 . LEU 121 121 16819 1 . CYS 122 122 16819 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 16819 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $monomer . 43142 organism . 'Acanthamoeba culbertsoni' 'Acanthamoeba culbertsoni' . . Eukaryota . Acanthamoeba culbertsoni . . . . . . . . . . . . . . . . . . . . . 16819 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 16819 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $monomer . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli C43 . . . . . . . . . . . . . . . pET32a . . . . . . 16819 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16819 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 monomer1 '[U-100% 15N]' . . 1 $monomer . . 1 . . mM . . . . 16819 1 2 monomer2 '[U-100% 15N]' . . 1 $monomer . . 1 . . mM . . . . 16819 1 3 H2O 'natural abundance' . . . . . . 93 . . % . . . . 16819 1 4 D2O 'natural abundance' . . . . . . 7 . . % . . . . 16819 1 5 sodium-tris 'natural abundance' . . . . . . 20 . . mM . . . . 16819 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 16819 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.025 . M 16819 1 pH 8.0 . pH 16819 1 pressure 1 . atm 16819 1 temperature 298 . K 16819 1 stop_ save_ ############################ # Computer software used # ############################ save_DIANA _Software.Sf_category software _Software.Sf_framecode DIANA _Software.Entry_ID 16819 _Software.ID 1 _Software.Name DIANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Braun and Wuthrich' . . 16819 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16819 1 'structure solution' 16819 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16819 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16819 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16819 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16819 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16819 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16819 3 'data analysis' 16819 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16819 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'cryo probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16819 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 'cryo probe' . . 16819 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 16819 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16819 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16819 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16819 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16819 _Chem_shift_reference.ID 1 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.73 external direct 1.0 . . . . . . . . . 16819 1 N 15 water protons . . . . ppm 4.73 external indirect 0.101329118 . . . . . . . . . 16819 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_assignments_culbicin_dimer _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assignments_culbicin_dimer _Assigned_chem_shift_list.Entry_ID 16819 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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 2 '3D 1H-15N NOESY' . . . 16819 1 3 '3D 1H-15N TOCSY' . . . 16819 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 8 8 LEU H H 1 7.735 . . 1 . . . . 8 LEU HN . 16819 1 2 . 1 1 8 8 LEU HA H 1 4.121 . . 1 . . . . 8 LEU HA . 16819 1 3 . 1 1 8 8 LEU HB2 H 1 1.694 . . 2 . . . . 8 LEU HB1 . 16819 1 4 . 1 1 8 8 LEU HG H 1 1.492 . . 1 . . . . 8 LEU HG . 16819 1 5 . 1 1 8 8 LEU N N 15 117.542 . . 1 . . . . 8 LEU N . 16819 1 6 . 1 1 9 9 LYS H H 1 7.831 . . 1 . . . . 9 LYS HN . 16819 1 7 . 1 1 9 9 LYS HA H 1 4.078 . . 1 . . . . 9 LYS HA . 16819 1 8 . 1 1 9 9 LYS HB2 H 1 2.161 . . 2 . . . . 9 LYS HB1 . 16819 1 9 . 1 1 9 9 LYS HB3 H 1 1.880 . . 2 . . . . 9 LYS HB2 . 16819 1 10 . 1 1 9 9 LYS HG2 H 1 1.697 . . 2 . . . . 9 LYS HG1 . 16819 1 11 . 1 1 9 9 LYS N N 15 123.335 . . 1 . . . . 9 LYS N . 16819 1 12 . 1 1 10 10 LYS H H 1 8.627 . . 1 . . . . 10 LYS HN . 16819 1 13 . 1 1 10 10 LYS HA H 1 3.657 . . 1 . . . . 10 LYS HA . 16819 1 14 . 1 1 10 10 LYS HB2 H 1 2.022 . . 2 . . . . 10 LYS HB1 . 16819 1 15 . 1 1 10 10 LYS N N 15 121.522 . . 1 . . . . 10 LYS N . 16819 1 16 . 1 1 11 11 VAL H H 1 7.491 . . 1 . . . . 11 VAL HN . 16819 1 17 . 1 1 11 11 VAL HA H 1 3.733 . . 1 . . . . 11 VAL HA . 16819 1 18 . 1 1 11 11 VAL HB H 1 2.157 . . 1 . . . . 11 VAL HB . 16819 1 19 . 1 1 11 11 VAL HG11 H 1 1.128 . . 4 . . . . 11 VAL HG11 . 16819 1 20 . 1 1 11 11 VAL HG12 H 1 0.972 . . 4 . . . . 11 VAL HG12 . 16819 1 21 . 1 1 11 11 VAL HG13 H 1 0.972 . . 4 . . . . 11 VAL HG12 . 16819 1 22 . 1 1 11 11 VAL N N 15 117.576 . . 1 . . . . 11 VAL N . 16819 1 23 . 1 1 12 12 ALA H H 1 7.898 . . 1 . . . . 12 ALA HN . 16819 1 24 . 1 1 12 12 ALA HA H 1 4.131 . . 1 . . . . 12 ALA HA . 16819 1 25 . 1 1 12 12 ALA HB1 H 1 1.586 . . 1 . . . . 12 ALA HB1 . 16819 1 26 . 1 1 12 12 ALA HB2 H 1 1.586 . . 1 . . . . 12 ALA HB1 . 16819 1 27 . 1 1 12 12 ALA HB3 H 1 1.586 . . 1 . . . . 12 ALA HB1 . 16819 1 28 . 1 1 12 12 ALA N N 15 123.018 . . 1 . . . . 12 ALA N . 16819 1 29 . 1 1 13 13 CYS H H 1 8.394 . . 1 . . . . 13 CYS HN . 16819 1 30 . 1 1 13 13 CYS HA H 1 4.587 . . 1 . . . . 13 CYS HA . 16819 1 31 . 1 1 13 13 CYS HB2 H 1 3.057 . . 2 . . . . 13 CYS HB1 . 16819 1 32 . 1 1 13 13 CYS HB3 H 1 3.009 . . 2 . . . . 13 CYS HB2 . 16819 1 33 . 1 1 13 13 CYS N N 15 113.951 . . 1 . . . . 13 CYS N . 16819 1 34 . 1 1 14 14 ALA H H 1 7.549 . . 1 . . . . 14 ALA HN . 16819 1 35 . 1 1 14 14 ALA HA H 1 4.027 . . 1 . . . . 14 ALA HA . 16819 1 36 . 1 1 14 14 ALA HB1 H 1 1.576 . . 1 . . . . 14 ALA HB1 . 16819 1 37 . 1 1 14 14 ALA HB2 H 1 1.576 . . 1 . . . . 14 ALA HB1 . 16819 1 38 . 1 1 14 14 ALA HB3 H 1 1.576 . . 1 . . . . 14 ALA HB1 . 16819 1 39 . 1 1 14 14 ALA N N 15 124.346 . . 1 . . . . 14 ALA N . 16819 1 40 . 1 1 15 15 ALA HA H 1 4.203 . . 1 . . . . 15 ALA HA . 16819 1 41 . 1 1 16 16 ALA H H 1 8.570 . . 1 . . . . 16 ALA HN . 16819 1 42 . 1 1 16 16 ALA HA H 1 4.075 . . 1 . . . . 16 ALA HA . 16819 1 43 . 1 1 16 16 ALA HB1 H 1 1.407 . . 1 . . . . 16 ALA HB1 . 16819 1 44 . 1 1 16 16 ALA HB2 H 1 1.407 . . 1 . . . . 16 ALA HB1 . 16819 1 45 . 1 1 16 16 ALA HB3 H 1 1.407 . . 1 . . . . 16 ALA HB1 . 16819 1 46 . 1 1 16 16 ALA N N 15 124.554 . . 1 . . . . 16 ALA N . 16819 1 47 . 1 1 17 17 ILE H H 1 8.475 . . 1 . . . . 17 ILE HN . 16819 1 48 . 1 1 17 17 ILE HA H 1 3.416 . . 1 . . . . 17 ILE HA . 16819 1 49 . 1 1 17 17 ILE HB H 1 1.869 . . 1 . . . . 17 ILE HB . 16819 1 50 . 1 1 17 17 ILE HD11 H 1 0.848 . . 1 . . . . 17 ILE HD11 . 16819 1 51 . 1 1 17 17 ILE HD12 H 1 0.848 . . 1 . . . . 17 ILE HD11 . 16819 1 52 . 1 1 17 17 ILE HD13 H 1 0.848 . . 1 . . . . 17 ILE HD11 . 16819 1 53 . 1 1 17 17 ILE HG12 H 1 1.071 . . 9 . . . . 17 ILE HG11 . 16819 1 54 . 1 1 17 17 ILE HG21 H 1 0.948 . . 4 . . . . 17 ILE HG21 . 16819 1 55 . 1 1 17 17 ILE HG22 H 1 0.948 . . 4 . . . . 17 ILE HG21 . 16819 1 56 . 1 1 17 17 ILE HG23 H 1 0.948 . . 4 . . . . 17 ILE HG21 . 16819 1 57 . 1 1 17 17 ILE N N 15 119.462 . . 1 . . . . 17 ILE N . 16819 1 58 . 1 1 18 18 ALA H H 1 8.288 . . 1 . . . . 18 ALA HN . 16819 1 59 . 1 1 18 18 ALA HA H 1 4.069 . . 1 . . . . 18 ALA HA . 16819 1 60 . 1 1 18 18 ALA HB1 H 1 1.504 . . 1 . . . . 18 ALA HB1 . 16819 1 61 . 1 1 18 18 ALA HB2 H 1 1.504 . . 1 . . . . 18 ALA HB1 . 16819 1 62 . 1 1 18 18 ALA HB3 H 1 1.504 . . 1 . . . . 18 ALA HB1 . 16819 1 63 . 1 1 18 18 ALA N N 15 121.295 . . 1 . . . . 18 ALA N . 16819 1 64 . 1 1 19 19 GLY H H 1 8.399 . . 1 . . . . 19 GLY HN . 16819 1 65 . 1 1 19 19 GLY HA2 H 1 3.883 . . 2 . . . . 19 GLY HA1 . 16819 1 66 . 1 1 19 19 GLY N N 15 105.669 . . 1 . . . . 19 GLY N . 16819 1 67 . 1 1 20 20 ALA H H 1 7.972 . . 1 . . . . 20 ALA HN . 16819 1 68 . 1 1 20 20 ALA HA H 1 4.081 . . 1 . . . . 20 ALA HA . 16819 1 69 . 1 1 20 20 ALA HB1 H 1 1.404 . . 1 . . . . 20 ALA HB1 . 16819 1 70 . 1 1 20 20 ALA HB2 H 1 1.404 . . 1 . . . . 20 ALA HB1 . 16819 1 71 . 1 1 20 20 ALA HB3 H 1 1.404 . . 1 . . . . 20 ALA HB1 . 16819 1 72 . 1 1 20 20 ALA N N 15 127.175 . . 1 . . . . 20 ALA N . 16819 1 73 . 1 1 21 21 VAL H H 1 8.435 . . 1 . . . . 21 VAL HN . 16819 1 74 . 1 1 21 21 VAL HA H 1 3.365 . . 1 . . . . 21 VAL HA . 16819 1 75 . 1 1 21 21 VAL HB H 1 1.978 . . 1 . . . . 21 VAL HB . 16819 1 76 . 1 1 21 21 VAL HG11 H 1 0.944 . . 4 . . . . 21 VAL HG11 . 16819 1 77 . 1 1 21 21 VAL HG12 H 1 0.716 . . 4 . . . . 21 VAL HG12 . 16819 1 78 . 1 1 21 21 VAL HG13 H 1 0.716 . . 4 . . . . 21 VAL HG12 . 16819 1 79 . 1 1 21 21 VAL N N 15 118.978 . . 1 . . . . 21 VAL N . 16819 1 80 . 1 1 22 22 ALA H H 1 7.835 . . 1 . . . . 22 ALA HN . 16819 1 81 . 1 1 22 22 ALA HA H 1 4.074 . . 1 . . . . 22 ALA HA . 16819 1 82 . 1 1 22 22 ALA HB1 H 1 1.456 . . 1 . . . . 22 ALA HB1 . 16819 1 83 . 1 1 22 22 ALA HB2 H 1 1.456 . . 1 . . . . 22 ALA HB1 . 16819 1 84 . 1 1 22 22 ALA HB3 H 1 1.456 . . 1 . . . . 22 ALA HB1 . 16819 1 85 . 1 1 22 22 ALA N N 15 121.005 . . 1 . . . . 22 ALA N . 16819 1 86 . 1 1 23 23 ALA H H 1 8.062 . . 1 . . . . 23 ALA HN . 16819 1 87 . 1 1 23 23 ALA HA H 1 4.063 . . 1 . . . . 23 ALA HA . 16819 1 88 . 1 1 23 23 ALA HB1 H 1 1.498 . . 1 . . . . 23 ALA HB1 . 16819 1 89 . 1 1 23 23 ALA HB2 H 1 1.498 . . 1 . . . . 23 ALA HB1 . 16819 1 90 . 1 1 23 23 ALA HB3 H 1 1.498 . . 1 . . . . 23 ALA HB1 . 16819 1 91 . 1 1 23 23 ALA N N 15 121.200 . . 1 . . . . 23 ALA N . 16819 1 92 . 1 1 24 24 CYS H H 1 8.045 . . 1 . . . . 24 CYS HN . 16819 1 93 . 1 1 24 24 CYS HA H 1 4.488 . . 1 . . . . 24 CYS HA . 16819 1 94 . 1 1 24 24 CYS HB2 H 1 3.310 . . 2 . . . . 24 CYS HB1 . 16819 1 95 . 1 1 24 24 CYS HB3 H 1 2.970 . . 2 . . . . 24 CYS HB2 . 16819 1 96 . 1 1 24 24 CYS N N 15 114.529 . . 1 . . . . 24 CYS N . 16819 1 97 . 1 1 25 25 GLY H H 1 7.916 . . 1 . . . . 25 GLY HN . 16819 1 98 . 1 1 25 25 GLY HA2 H 1 4.075 . . 2 . . . . 25 GLY HA1 . 16819 1 99 . 1 1 25 25 GLY HA3 H 1 3.831 . . 2 . . . . 25 GLY HA2 . 16819 1 100 . 1 1 25 25 GLY N N 15 109.695 . . 1 . . . . 25 GLY N . 16819 1 101 . 1 1 26 26 GLY H H 1 8.056 . . 1 . . . . 26 GLY HN . 16819 1 102 . 1 1 26 26 GLY HA2 H 1 4.337 . . 2 . . . . 26 GLY HA1 . 16819 1 103 . 1 1 26 26 GLY HA3 H 1 3.604 . . 2 . . . . 26 GLY HA2 . 16819 1 104 . 1 1 26 26 GLY N N 15 107.481 . . 1 . . . . 26 GLY N . 16819 1 105 . 1 1 27 27 ILE H H 1 8.342 . . 1 . . . . 27 ILE HN . 16819 1 106 . 1 1 27 27 ILE HA H 1 3.745 . . 1 . . . . 27 ILE HA . 16819 1 107 . 1 1 27 27 ILE HB H 1 2.031 . . 1 . . . . 27 ILE HB . 16819 1 108 . 1 1 27 27 ILE HD11 H 1 0.678 . . 1 . . . . 27 ILE HD11 . 16819 1 109 . 1 1 27 27 ILE HD12 H 1 0.678 . . 1 . . . . 27 ILE HD11 . 16819 1 110 . 1 1 27 27 ILE HD13 H 1 0.678 . . 1 . . . . 27 ILE HD11 . 16819 1 111 . 1 1 27 27 ILE HG12 H 1 1.508 . . 9 . . . . 27 ILE HG11 . 16819 1 112 . 1 1 27 27 ILE HG13 H 1 1.265 . . 9 . . . . 27 ILE HG12 . 16819 1 113 . 1 1 27 27 ILE N N 15 117.952 . . 1 . . . . 27 ILE N . 16819 1 114 . 1 1 28 28 ASP H H 1 7.060 . . 1 . . . . 28 ASP HN . 16819 1 115 . 1 1 28 28 ASP HB2 H 1 2.572 . . 2 . . . . 28 ASP HB1 . 16819 1 116 . 1 1 28 28 ASP N N 15 128.285 . . 1 . . . . 28 ASP N . 16819 1 117 . 1 1 29 29 LEU H H 1 8.907 . . 1 . . . . 29 LEU HN . 16819 1 118 . 1 1 29 29 LEU HA H 1 4.002 . . 1 . . . . 29 LEU HA . 16819 1 119 . 1 1 29 29 LEU HB2 H 1 2.061 . . 2 . . . . 29 LEU HB1 . 16819 1 120 . 1 1 29 29 LEU HD11 H 1 0.965 . . 4 . . . . 29 LEU HD11 . 16819 1 121 . 1 1 29 29 LEU HD12 H 1 0.965 . . 4 . . . . 29 LEU HD11 . 16819 1 122 . 1 1 29 29 LEU HD13 H 1 0.965 . . 4 . . . . 29 LEU HD11 . 16819 1 123 . 1 1 29 29 LEU HG H 1 1.636 . . 1 . . . . 29 LEU HG . 16819 1 124 . 1 1 29 29 LEU N N 15 124.546 . . 1 . . . . 29 LEU N . 16819 1 125 . 1 1 31 31 CYS H H 1 7.340 . . 1 . . . . 31 CYS HN . 16819 1 126 . 1 1 31 31 CYS HA H 1 4.167 . . 1 . . . . 31 CYS HA . 16819 1 127 . 1 1 31 31 CYS HB2 H 1 3.094 . . 2 . . . . 31 CYS HB1 . 16819 1 128 . 1 1 31 31 CYS N N 15 117.630 . . 1 . . . . 31 CYS N . 16819 1 129 . 1 1 32 32 VAL H H 1 8.718 . . 1 . . . . 32 VAL HN . 16819 1 130 . 1 1 32 32 VAL HA H 1 3.178 . . 1 . . . . 32 VAL HA . 16819 1 131 . 1 1 32 32 VAL HB H 1 1.499 . . 1 . . . . 32 VAL HB . 16819 1 132 . 1 1 32 32 VAL HG11 H 1 0.698 . . 4 . . . . 32 VAL HG11 . 16819 1 133 . 1 1 32 32 VAL HG12 H 1 -0.423 . . 4 . . . . 32 VAL HG12 . 16819 1 134 . 1 1 32 32 VAL HG13 H 1 -0.423 . . 4 . . . . 32 VAL HG12 . 16819 1 135 . 1 1 32 32 VAL HG21 H 1 -0.367 . . 4 . . . . 32 VAL HG21 . 16819 1 136 . 1 1 32 32 VAL HG22 H 1 -0.367 . . 4 . . . . 32 VAL HG21 . 16819 1 137 . 1 1 32 32 VAL HG23 H 1 -0.367 . . 4 . . . . 32 VAL HG21 . 16819 1 138 . 1 1 32 32 VAL N N 15 124.340 . . 1 . . . . 32 VAL N . 16819 1 139 . 1 1 33 33 LEU H H 1 8.512 . . 1 . . . . 33 LEU HN . 16819 1 140 . 1 1 33 33 LEU HA H 1 3.692 . . 1 . . . . 33 LEU HA . 16819 1 141 . 1 1 33 33 LEU HB2 H 1 1.732 . . 2 . . . . 33 LEU HB1 . 16819 1 142 . 1 1 33 33 LEU HD11 H 1 0.942 . . 4 . . . . 33 LEU HD11 . 16819 1 143 . 1 1 33 33 LEU HD12 H 1 0.790 . . 4 . . . . 33 LEU HD12 . 16819 1 144 . 1 1 33 33 LEU HD13 H 1 0.790 . . 4 . . . . 33 LEU HD12 . 16819 1 145 . 1 1 33 33 LEU HG H 1 1.287 . . 1 . . . . 33 LEU HG . 16819 1 146 . 1 1 33 33 LEU N N 15 117.743 . . 1 . . . . 33 LEU N . 16819 1 147 . 1 1 34 34 ALA H H 1 7.508 . . 1 . . . . 34 ALA HN . 16819 1 148 . 1 1 34 34 ALA HA H 1 4.067 . . 1 . . . . 34 ALA HA . 16819 1 149 . 1 1 34 34 ALA HB1 H 1 1.447 . . 1 . . . . 34 ALA HB1 . 16819 1 150 . 1 1 34 34 ALA HB2 H 1 1.447 . . 1 . . . . 34 ALA HB1 . 16819 1 151 . 1 1 34 34 ALA HB3 H 1 1.447 . . 1 . . . . 34 ALA HB1 . 16819 1 152 . 1 1 34 34 ALA N N 15 120.707 . . 1 . . . . 34 ALA N . 16819 1 153 . 1 1 35 35 ALA H H 1 7.765 . . 1 . . . . 35 ALA HN . 16819 1 154 . 1 1 35 35 ALA HA H 1 4.174 . . 1 . . . . 35 ALA HA . 16819 1 155 . 1 1 35 35 ALA HB1 H 1 1.511 . . 1 . . . . 35 ALA HB1 . 16819 1 156 . 1 1 35 35 ALA HB2 H 1 1.511 . . 1 . . . . 35 ALA HB1 . 16819 1 157 . 1 1 35 35 ALA HB3 H 1 1.511 . . 1 . . . . 35 ALA HB1 . 16819 1 158 . 1 1 35 35 ALA N N 15 121.539 . . 1 . . . . 35 ALA N . 16819 1 159 . 1 1 36 36 LEU H H 1 8.322 . . 1 . . . . 36 LEU HN . 16819 1 160 . 1 1 36 36 LEU HA H 1 4.207 . . 1 . . . . 36 LEU HA . 16819 1 161 . 1 1 36 36 LEU HB2 H 1 1.657 . . 2 . . . . 36 LEU HB1 . 16819 1 162 . 1 1 36 36 LEU HD11 H 1 0.564 . . 4 . . . . 36 LEU HD11 . 16819 1 163 . 1 1 36 36 LEU HD12 H 1 0.430 . . 4 . . . . 36 LEU HD12 . 16819 1 164 . 1 1 36 36 LEU HD13 H 1 0.430 . . 4 . . . . 36 LEU HD12 . 16819 1 165 . 1 1 36 36 LEU N N 15 116.961 . . 1 . . . . 36 LEU N . 16819 1 166 . 1 1 37 37 LYS H H 1 7.335 . . 1 . . . . 37 LYS HN . 16819 1 167 . 1 1 37 37 LYS HA H 1 3.988 . . 1 . . . . 37 LYS HA . 16819 1 168 . 1 1 37 37 LYS HB2 H 1 1.924 . . 2 . . . . 37 LYS HB1 . 16819 1 169 . 1 1 37 37 LYS HB3 H 1 1.818 . . 2 . . . . 37 LYS HB2 . 16819 1 170 . 1 1 37 37 LYS HG2 H 1 1.611 . . 2 . . . . 37 LYS HG1 . 16819 1 171 . 1 1 37 37 LYS HG3 H 1 1.500 . . 2 . . . . 37 LYS HG2 . 16819 1 172 . 1 1 37 37 LYS N N 15 121.909 . . 1 . . . . 37 LYS N . 16819 1 173 . 1 1 42 42 CYS HA H 1 4.790 . . 1 . . . . 42 CYS HA . 16819 1 174 . 1 1 42 42 CYS HB2 H 1 3.047 . . 2 . . . . 42 CYS HB1 . 16819 1 175 . 1 1 42 42 CYS HB3 H 1 2.973 . . 2 . . . . 42 CYS HB2 . 16819 1 176 . 1 1 43 43 ALA HA H 1 3.985 . . 1 . . . . 43 ALA HA . 16819 1 177 . 1 1 44 44 SER HB2 H 1 3.869 . . 2 . . . . 44 SER HB1 . 16819 1 178 . 1 1 45 45 CYS H H 1 7.104 . . 1 . . . . 45 CYS HN . 16819 1 179 . 1 1 45 45 CYS HA H 1 4.341 . . 1 . . . . 45 CYS HA . 16819 1 180 . 1 1 45 45 CYS HB2 H 1 3.133 . . 2 . . . . 45 CYS HB1 . 16819 1 181 . 1 1 45 45 CYS N N 15 118.951 . . 1 . . . . 45 CYS N . 16819 1 182 . 1 1 46 46 PHE H H 1 7.984 . . 1 . . . . 46 PHE HN . 16819 1 183 . 1 1 46 46 PHE HA H 1 4.599 . . 1 . . . . 46 PHE HA . 16819 1 184 . 1 1 46 46 PHE HB2 H 1 2.958 . . 2 . . . . 46 PHE HB1 . 16819 1 185 . 1 1 46 46 PHE HD1 H 1 6.646 . . 3 . . . . 46 PHE HD1 . 16819 1 186 . 1 1 46 46 PHE HE1 H 1 7.222 . . 3 . . . . 46 PHE HE1 . 16819 1 187 . 1 1 46 46 PHE HZ H 1 6.978 . . 1 . . . . 46 PHE HZ . 16819 1 188 . 1 1 46 46 PHE N N 15 120.196 . . 1 . . . . 46 PHE N . 16819 1 189 . 1 1 47 47 CYS H H 1 8.773 . . 1 . . . . 47 CYS HN . 16819 1 190 . 1 1 47 47 CYS HA H 1 4.319 . . 1 . . . . 47 CYS HA . 16819 1 191 . 1 1 47 47 CYS HB2 H 1 2.725 . . 2 . . . . 47 CYS HB1 . 16819 1 192 . 1 1 47 47 CYS HB3 H 1 2.590 . . 2 . . . . 47 CYS HB2 . 16819 1 193 . 1 1 47 47 CYS N N 15 115.827 . . 1 . . . . 47 CYS N . 16819 1 194 . 1 1 48 48 GLU H H 1 7.775 . . 1 . . . . 48 GLU HN . 16819 1 195 . 1 1 48 48 GLU HA H 1 3.929 . . 1 . . . . 48 GLU HA . 16819 1 196 . 1 1 48 48 GLU HB2 H 1 2.384 . . 2 . . . . 48 GLU HB1 . 16819 1 197 . 1 1 48 48 GLU HB3 H 1 2.580 . . 2 . . . . 48 GLU HB2 . 16819 1 198 . 1 1 48 48 GLU HG2 H 1 2.148 . . 2 . . . . 48 GLU HG1 . 16819 1 199 . 1 1 48 48 GLU N N 15 117.841 . . 1 . . . . 48 GLU N . 16819 1 200 . 1 1 49 49 ASP H H 1 6.791 . . 1 . . . . 49 ASP HN . 16819 1 201 . 1 1 49 49 ASP HA H 1 4.490 . . 1 . . . . 49 ASP HA . 16819 1 202 . 1 1 49 49 ASP HB2 H 1 2.312 . . 2 . . . . 49 ASP HB1 . 16819 1 203 . 1 1 49 49 ASP N N 15 116.149 . . 1 . . . . 49 ASP N . 16819 1 204 . 1 1 50 50 HIS H H 1 7.016 . . 1 . . . . 50 HIS HN . 16819 1 205 . 1 1 50 50 HIS HA H 1 4.483 . . 1 . . . . 50 HIS HA . 16819 1 206 . 1 1 50 50 HIS HB2 H 1 2.675 . . 2 . . . . 50 HIS HB1 . 16819 1 207 . 1 1 50 50 HIS HB3 H 1 2.234 . . 2 . . . . 50 HIS HB2 . 16819 1 208 . 1 1 50 50 HIS HD1 H 1 12.833 . . 3 . . . . 50 HIS HD1 . 16819 1 209 . 1 1 50 50 HIS N N 15 121.887 . . 1 . . . . 50 HIS N . 16819 1 210 . 1 1 51 51 CYS H H 1 8.059 . . 1 . . . . 51 CYS HN . 16819 1 211 . 1 1 51 51 CYS HA H 1 4.490 . . 1 . . . . 51 CYS HA . 16819 1 212 . 1 1 51 51 CYS HB2 H 1 2.856 . . 2 . . . . 51 CYS HB1 . 16819 1 213 . 1 1 51 51 CYS N N 15 118.443 . . 1 . . . . 51 CYS N . 16819 1 214 . 1 1 52 52 HIS H H 1 8.294 . . 1 . . . . 52 HIS HN . 16819 1 215 . 1 1 52 52 HIS HA H 1 4.581 . . 1 . . . . 52 HIS HA . 16819 1 216 . 1 1 52 52 HIS HB2 H 1 3.496 . . 2 . . . . 52 HIS HB1 . 16819 1 217 . 1 1 52 52 HIS HB3 H 1 2.981 . . 2 . . . . 52 HIS HB2 . 16819 1 218 . 1 1 52 52 HIS N N 15 123.835 . . 1 . . . . 52 HIS N . 16819 1 219 . 1 1 54 54 VAL HA H 1 4.013 . . 1 . . . . 54 VAL HA . 16819 1 220 . 1 1 54 54 VAL HG11 H 1 1.077 . . 4 . . . . 54 VAL HG11 . 16819 1 221 . 1 1 54 54 VAL HG12 H 1 1.077 . . 4 . . . . 54 VAL HG11 . 16819 1 222 . 1 1 54 54 VAL HG13 H 1 1.077 . . 4 . . . . 54 VAL HG11 . 16819 1 223 . 1 1 55 55 CYS H H 1 7.314 . . 1 . . . . 55 CYS HN . 16819 1 224 . 1 1 55 55 CYS HA H 1 4.229 . . 1 . . . . 55 CYS HA . 16819 1 225 . 1 1 55 55 CYS HB2 H 1 3.514 . . 2 . . . . 55 CYS HB1 . 16819 1 226 . 1 1 55 55 CYS HB3 H 1 3.000 . . 2 . . . . 55 CYS HB2 . 16819 1 227 . 1 1 55 55 CYS N N 15 116.926 . . 1 . . . . 55 CYS N . 16819 1 228 . 1 1 56 56 LYS H H 1 6.427 . . 1 . . . . 56 LYS HN . 16819 1 229 . 1 1 56 56 LYS HA H 1 4.115 . . 1 . . . . 56 LYS HA . 16819 1 230 . 1 1 56 56 LYS HB2 H 1 1.775 . . 2 . . . . 56 LYS HB1 . 16819 1 231 . 1 1 56 56 LYS HG2 H 1 1.346 . . 2 . . . . 56 LYS HG1 . 16819 1 232 . 1 1 56 56 LYS N N 15 117.865 . . 1 . . . . 56 LYS N . 16819 1 233 . 1 1 57 57 ASP H H 1 8.415 . . 1 . . . . 57 ASP HN . 16819 1 234 . 1 1 57 57 ASP HA H 1 4.106 . . 1 . . . . 57 ASP HA . 16819 1 235 . 1 1 57 57 ASP HB2 H 1 2.520 . . 2 . . . . 57 ASP HB1 . 16819 1 236 . 1 1 57 57 ASP HB3 H 1 2.533 . . 2 . . . . 57 ASP HB2 . 16819 1 237 . 1 1 57 57 ASP N N 15 122.411 . . 1 . . . . 57 ASP N . 16819 1 238 . 1 1 58 58 LEU H H 1 7.593 . . 1 . . . . 58 LEU HN . 16819 1 239 . 1 1 58 58 LEU HA H 1 4.212 . . 1 . . . . 58 LEU HA . 16819 1 240 . 1 1 58 58 LEU HB2 H 1 1.732 . . 2 . . . . 58 LEU HB1 . 16819 1 241 . 1 1 58 58 LEU HD11 H 1 0.790 . . 4 . . . . 58 LEU HD11 . 16819 1 242 . 1 1 58 58 LEU HD12 H 1 0.790 . . 4 . . . . 58 LEU HD11 . 16819 1 243 . 1 1 58 58 LEU HD13 H 1 0.790 . . 4 . . . . 58 LEU HD11 . 16819 1 244 . 1 1 58 58 LEU HG H 1 1.583 . . 1 . . . . 58 LEU HG . 16819 1 245 . 1 1 58 58 LEU N N 15 115.608 . . 1 . . . . 58 LEU N . 16819 1 246 . 1 1 59 59 HIS H H 1 7.866 . . 1 . . . . 59 HIS HN . 16819 1 247 . 1 1 59 59 HIS HA H 1 4.316 . . 1 . . . . 59 HIS HA . 16819 1 248 . 1 1 59 59 HIS HB2 H 1 3.269 . . 2 . . . . 59 HIS HB1 . 16819 1 249 . 1 1 59 59 HIS N N 15 113.919 . . 1 . . . . 59 HIS N . 16819 1 250 . 1 1 60 60 LEU H H 1 7.762 . . 1 . . . . 60 LEU HN . 16819 1 251 . 1 1 60 60 LEU HA H 1 4.291 . . 1 . . . . 60 LEU HA . 16819 1 252 . 1 1 60 60 LEU HB2 H 1 2.093 . . 2 . . . . 60 LEU HB1 . 16819 1 253 . 1 1 60 60 LEU HB3 H 1 1.560 . . 2 . . . . 60 LEU HB2 . 16819 1 254 . 1 1 60 60 LEU HD11 H 1 0.974 . . 4 . . . . 60 LEU HD11 . 16819 1 255 . 1 1 60 60 LEU HD12 H 1 0.775 . . 4 . . . . 60 LEU HD12 . 16819 1 256 . 1 1 60 60 LEU HD13 H 1 0.775 . . 4 . . . . 60 LEU HD12 . 16819 1 257 . 1 1 60 60 LEU HG H 1 1.243 . . 1 . . . . 60 LEU HG . 16819 1 258 . 1 1 60 60 LEU N N 15 116.798 . . 1 . . . . 60 LEU N . 16819 1 259 . 1 1 61 61 CYS H H 1 7.627 . . 1 . . . . 61 CYS HN . 16819 1 260 . 1 1 61 61 CYS HA H 1 4.309 . . 1 . . . . 61 CYS HA . 16819 1 261 . 1 1 61 61 CYS HB2 H 1 3.096 . . 2 . . . . 61 CYS HB1 . 16819 1 262 . 1 1 61 61 CYS HB3 H 1 3.003 . . 2 . . . . 61 CYS HB2 . 16819 1 263 . 1 1 61 61 CYS N N 15 119.042 . . 1 . . . . 61 CYS N . 16819 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 19 16819 1 1 20 16819 1 1 21 16819 1 2 54 16819 1 2 55 16819 1 2 56 16819 1 3 76 16819 1 3 77 16819 1 3 78 16819 1 4 120 16819 1 4 121 16819 1 4 122 16819 1 5 132 16819 1 5 133 16819 1 5 134 16819 1 5 135 16819 1 5 136 16819 1 5 137 16819 1 6 142 16819 1 6 143 16819 1 6 144 16819 1 7 162 16819 1 7 163 16819 1 7 164 16819 1 8 220 16819 1 8 221 16819 1 8 222 16819 1 9 241 16819 1 9 242 16819 1 9 243 16819 1 10 254 16819 1 10 255 16819 1 10 256 16819 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_2D_pH8200809 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2D_pH8200809 _Spectral_peak_list.Entry_ID 16819 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '3D 1H-15N TOCSY' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; loop_ _Peak_list_number _Intensity_height _Intensity_volume _Intensity_volume2 _Peak_status _flag _comment _Dim_1_label _Dim_1_chem_shift _Dim_1_line_width _Dim_1_bounds _Dim_1_error _Dim_1_j _Dim_1_link0 _Dim_1_link1 _Dim_1_thread _Dim_1_user _Dim_2_label _Dim_2_chem_shift _Dim_2_line_width _Dim_2_bounds _Dim_2_error _Dim_2_j _Dim_2_link0 _Dim_2_link1 _Dim_2_thread _Dim_2_user 0 15.203 0.000 0.000 0 2 {?} {?} 8.84887981 0.00834000 0.01760000 {PN} 0.00000000 0 0 0 {?} {?} 8.83082962 0.03585000 0.02134000 {++} 0.00000000 0 0 0 {?} 1 56.109 0.000 0.000 0 2 {?} {?} 8.83098030 0.01341000 0.02340000 {++} 0.00000000 0 0 0 {?} {?} 8.82843018 0.03886000 0.06233000 {++} 0.00000000 0 0 0 {?} 2 21.741 0.000 0.000 0 2 {?} {?} 8.74353981 0.01614000 0.01520000 {++} 0.00000000 0 0 0 {?} {?} 8.73950005 0.03439000 0.03302000 {++} 0.00000000 0 0 0 {?} 3 12.417 0.000 0.000 0 2 {?} {?} 8.69682026 0.00331000 0.00106000 {NN} 0.00000000 0 0 0 {?} {?} 8.66623020 0.00818000 0.00818000 {+N} 0.00000000 0 0 0 {?} 4 12.116 0.000 0.000 0 2 {?} {?} 8.67621994 0.00218000 0.00081000 {NN} 0.00000000 0 0 0 {?} {?} 8.82485008 0.00614000 0.00615000 {NN} 0.00000000 0 0 0 {?} 5 69.947 0.000 0.000 0 2 {?} {?} 8.67389011 0.01679000 0.03231000 {++} 0.00000000 0 0 0 {?} {?} 8.67261028 0.04640000 0.08535000 {++} 0.00000000 0 0 0 {?} 6 192.754 0.000 0.000 0 2 {?} {?} 8.63300037 0.01747000 0.05281000 {PP} 0.00000000 0 0 0 {?} {?} 8.63220024 0.03460000 0.06721000 {++} 0.00000000 0 0 0 {?} 7 31.463 0.000 0.000 0 2 {?} {?} 8.63298988 0.01785000 0.02060000 {++} 0.00000000 0 0 0 {?} {?} 8.47560978 0.03697000 0.04534000 {++} 0.00000000 0 0 0 {?} 8 19.826 0.000 0.000 0 2 {?} {?} 8.63298988 0.01116000 0.01116000 {++} 0.00000000 0 0 0 {?} {?} 1.82484996 0.04594000 0.03971000 {++} 0.00000000 0 0 0 {?} 9 13.846 0.000 0.000 0 2 {?} {?} 8.63265991 0.00909000 0.00909000 {+N} 0.00000000 0 0 0 {?} {?} 1.75766003 0.02127000 0.02127000 {++} 0.00000000 0 0 0 {?} 10 13.718 0.000 0.000 0 2 {?} {?} 8.63403988 0.00502000 0.00502000 {NN} 0.00000000 0 0 0 {?} {?} 1.56508994 0.01178000 0.01178000 {++} 0.00000000 0 0 0 {?} 11 123.709 0.000 0.000 0 2 {?} {?} 8.60058975 0.01583000 0.03756000 {+P} 0.00000000 0 0 0 {?} {?} 8.59978962 0.04010000 0.06903000 {++} 0.00000000 0 0 0 {?} 12 19.836 0.000 0.000 0 2 {?} {?} 8.60039997 0.01837000 0.01669000 {++} 0.00000000 0 0 0 {?} {?} 8.44419956 0.05078000 0.04508000 {++} 0.00000000 0 0 0 {?} 13 26.468 0.000 0.000 0 2 {?} {?} 8.59951019 0.01193000 0.01544000 {++} 0.00000000 0 0 0 {?} {?} 1.89491999 0.04940000 0.05440000 {++} 0.00000000 0 0 0 {?} 14 19.385 0.000 0.000 0 2 {?} {?} 8.56095028 0.00847000 0.00694000 {+N} 0.00000000 0 0 0 {?} {?} 2.03141999 0.03754000 0.03754000 {++} 0.00000000 0 0 0 {?} 15 172.219 0.000 0.000 0 2 {?} {?} 8.55879021 0.01557000 0.03233000 {++} 0.00000000 0 0 0 {?} {?} 8.55733013 0.03301000 0.06362000 {++} 0.00000000 0 0 0 {?} 16 27.561 0.000 0.000 0 2 {?} {?} 8.55828953 0.01412000 0.01662000 {++} 0.00000000 0 0 0 {?} {?} 8.39918995 0.03630000 0.04157000 {++} 0.00000000 0 0 0 {?} 17 19.321 0.000 0.000 0 2 {?} {?} 8.55932045 0.01406000 0.01255000 {++} 0.00000000 0 0 0 {?} {?} 0.97526002 0.03411000 0.03411000 {++} 0.00000000 0 0 0 {?} 18 36.358 0.000 0.000 0 2 {?} {?} 8.52803040 0.03177000 0.04107000 {+P} 0.00000000 0 0 0 {?} {?} 8.52655983 0.03774000 0.05253000 {++} 0.00000000 0 0 0 {?} 19 12.594 0.000 0.000 0 2 {?} {?} 8.47902012 0.00956000 0.00174000 {+N} 0.00000000 0 0 0 {?} {?} 3.74863005 0.01086000 0.01086000 {++} 0.00000000 0 0 0 {?} 20 23.360 0.000 0.000 0 2 {?} {?} 8.47986984 0.00905000 0.00923000 {+N} 0.00000000 0 0 0 {?} {?} 1.82321000 0.04411000 0.08788000 {P+} 0.00000000 0 0 0 {?} 21 31.319 0.000 0.000 0 2 {?} {?} 8.47646999 0.00977000 0.01276000 {++} 0.00000000 0 0 0 {?} {?} 8.63144016 0.03359000 0.04030000 {++} 0.00000000 0 0 0 {?} 22 235.548 0.000 0.000 0 2 {?} {?} 8.47737980 0.01760000 0.06614000 {P+} 0.00000000 0 0 0 {?} {?} 8.47535992 0.03555000 0.06982000 {++} 0.00000000 0 0 0 {?} 23 17.936 0.000 0.000 0 2 {?} {?} 8.47548008 0.01467000 0.01240000 {++} 0.00000000 0 0 0 {?} {?} 1.75555003 0.03582000 0.03582000 {++} 0.00000000 0 0 0 {?} 24 13.397 0.000 0.000 0 2 {?} {?} 8.47632980 0.00525000 0.00265000 {NN} 0.00000000 0 0 0 {?} {?} 1.57358003 0.01598000 0.01598000 {++} 0.00000000 0 0 0 {?} 25 167.006 0.000 0.000 0 2 {?} {?} 8.46417046 0.01233000 0.02934000 {PP} 0.00000000 0 0 0 {?} {?} 8.46156025 0.03068000 0.05396000 {++} 0.00000000 0 0 0 {?} 26 15.981 0.000 0.000 0 2 {?} {?} 8.44923973 0.00794000 0.01760000 {PN} 0.00000000 0 0 0 {?} {?} 8.60276985 0.03058000 0.02338000 {++} 0.00000000 0 0 0 {?} 27 144.389 0.000 0.000 0 2 {?} {?} 8.44589043 0.01981000 0.02934000 {+P} 0.00000000 0 0 0 {?} {?} 8.44270039 0.03592000 0.06370000 {++} 0.00000000 0 0 0 {?} 28 27.738 0.000 0.000 0 2 {?} {?} 8.44351959 0.01769000 0.01943000 {++} 0.00000000 0 0 0 {?} {?} 1.89382994 0.05002000 0.05586000 {++} 0.00000000 0 0 0 {?} 29 11.475 0.000 0.000 0 2 {?} {?} 8.44550991 0.00006000 0.00004000 {NN} 0.00000000 0 0 0 {?} {?} 1.43683004 0.00021000 0.00021000 {NN} 0.00000000 0 0 0 {?} 30 16.137 0.000 0.000 0 2 {?} {?} 8.44281006 0.00661000 0.00384000 {NP} 0.00000000 0 0 0 {?} {?} 8.59809017 0.02831000 0.01973000 {++} 0.00000000 0 0 0 {?} 31 23.887 0.000 0.000 0 2 {?} {?} 8.40342999 0.01415000 0.01457000 {++} 0.00000000 0 0 0 {?} {?} 8.55823994 0.03086000 0.03185000 {++} 0.00000000 0 0 0 {?} 32 204.953 0.000 0.000 0 2 {?} {?} 8.40394020 0.01736000 0.03506000 {+P} 0.00000000 0 0 0 {?} {?} 8.40268040 0.03429000 0.06395000 {++} 0.00000000 0 0 0 {?} 33 12.439 0.000 0.000 0 2 {?} {?} 8.40318012 0.00222000 0.00222000 {NN} 0.00000000 0 0 0 {?} {?} 3.41835999 0.00830000 0.00830000 {N+} 0.00000000 0 0 0 {?} 34 21.684 0.000 0.000 0 2 {?} {?} 8.40406990 0.01529000 0.01469000 {++} 0.00000000 0 0 0 {?} {?} 2.02203989 0.05676000 0.05415000 {++} 0.00000000 0 0 0 {?} 35 23.352 0.000 0.000 0 2 {?} {?} 8.40445042 0.01275000 0.01299000 {++} 0.00000000 0 0 0 {?} {?} 0.97398001 0.03920000 0.03975000 {++} 0.00000000 0 0 0 {?} 36 29.035 0.000 0.000 0 2 {?} {?} 8.37722015 0.02205000 0.02693000 {+P} 0.00000000 0 0 0 {?} {?} 8.37279034 0.03164000 0.03671000 {++} 0.00000000 0 0 0 {?} 37 20.144 0.000 0.000 0 2 {?} {?} 8.35947990 0.01760000 0.01760000 {+P} 0.00000000 0 0 0 {?} {?} 8.35612011 0.03503000 0.03178000 {++} 0.00000000 0 0 0 {?} 38 22.205 0.000 0.000 0 2 {?} {?} 8.18467045 0.02720000 0.02683000 {++} 0.00000000 0 0 0 {?} {?} 8.18391037 0.03731000 0.03639000 {++} 0.00000000 0 0 0 {?} 39 18.057 0.000 0.000 0 2 {?} {?} 8.17273998 0.00973000 0.00713000 {NP} 0.00000000 0 0 0 {?} {?} 8.16814041 0.03694000 0.02935000 {++} 0.00000000 0 0 0 {?} 40 29.943 0.000 0.000 0 2 {?} {?} 8.12267017 0.00715000 0.00884000 {+N} 0.00000000 0 0 0 {?} {?} 8.11983967 0.03226000 0.03787000 {++} 0.00000000 0 0 0 {?} 41 26.874 0.000 0.000 0 2 {?} {?} 8.10227013 0.02193000 0.02419000 {+P} 0.00000000 0 0 0 {?} {?} 8.10124016 0.04830000 0.05368000 {++} 0.00000000 0 0 0 {?} 42 14.716 0.000 0.000 0 2 {?} {?} 8.08187008 0.00823000 0.00365000 {NN} 0.00000000 0 0 0 {?} {?} 7.95059013 0.01748000 0.01748000 {++} 0.00000000 0 0 0 {?} 43 11.933 0.000 0.000 0 2 {?} {?} 8.06478977 0.00096000 0.00096000 {NN} 0.00000000 0 0 0 {?} {?} 7.93809986 0.00483000 0.00483000 {NN} 0.00000000 0 0 0 {?} 44 11.458 0.000 0.000 0 2 {?} {?} 8.04576015 0.00025000 0.00024000 {NN} 0.00000000 0 0 0 {?} {?} 7.94304991 0.00010000 0.00010000 {NN} 0.00000000 0 0 0 {?} 45 54.860 0.000 0.000 0 2 {?} {?} 8.02949047 0.01760000 0.03434000 {P+} 0.00000000 0 0 0 {?} {?} 8.02519035 0.03722000 0.05389000 {++} 0.00000000 0 0 0 {?} 46 14.600 0.000 0.000 0 2 {?} {?} 8.02824020 0.00784000 0.00784000 {+N} 0.00000000 0 0 0 {?} {?} 7.94146013 0.01895000 0.01895000 {++} 0.00000000 0 0 0 {?} 47 55.405 0.000 0.000 0 2 {?} {?} 8.01681042 0.01760000 0.01760000 {+P} 0.00000000 0 0 0 {?} {?} 8.01620960 0.03702000 0.05610000 {++} 0.00000000 0 0 0 {?} 48 505.004 0.000 0.000 0 2 {?} {?} 7.95761013 0.01581000 0.11330000 {P+} 0.00000000 0 0 0 {?} {?} 7.95485020 0.03530000 0.06694000 {++} 0.00000000 0 0 0 {?} 49 958.360 0.000 0.000 0 2 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0 0 {?} 411 609.281 0.000 0.000 0 2 {?} {?} 4.00251007 0.01760000 0.07628000 {PP} 0.00000000 0 0 0 {?} {?} 4.00809002 0.04337000 0.10557000 {P+} 0.00000000 0 0 0 {?} 412 453.977 0.000 0.000 0 2 {?} {?} 4.00348997 0.00875000 0.02934000 {PP} 0.00000000 0 0 0 {?} {?} 3.94057012 0.04158000 0.06835000 {+P} 0.00000000 0 0 0 {?} 413 28.265 0.000 0.000 0 2 {?} {?} 4.00591993 0.00499000 0.00594000 {NP} 0.00000000 0 0 0 {?} {?} 1.17566001 0.01987000 0.02294000 {++} 0.00000000 0 0 0 {?} 414 12.767 0.000 0.000 0 2 {?} {?} 3.99518991 0.00294000 0.00294000 {N+} 0.00000000 0 0 0 {?} {?} 1.15041006 0.00769000 0.00769000 {NN} 0.00000000 0 0 0 {?} 415 13.586 0.000 0.000 0 2 {?} {?} 3.98554993 0.00696000 0.00289000 {NN} 0.00000000 0 0 0 {?} {?} 3.02501988 0.02727000 0.02727000 {++} 0.00000000 0 0 0 {?} 416 31.264 0.000 0.000 0 2 {?} {?} 3.98509002 0.00817000 0.01760000 {P+} 0.00000000 0 0 0 {?} {?} 2.10028005 0.04216000 0.05031000 {++} 0.00000000 0 0 0 {?} 417 30.423 0.000 0.000 0 2 {?} {?} 3.98262000 0.01760000 0.01760000 {PP} 0.00000000 0 0 0 {?} {?} 3.91522002 0.02929000 0.02929000 {+P} 0.00000000 0 0 0 {?} 418 983.505 0.000 0.000 0 2 {?} {?} 3.97369003 0.01772000 0.08978000 {P+} 0.00000000 0 0 0 {?} {?} 3.97318006 0.03954000 0.10741000 {P+} 0.00000000 0 0 0 {?} 419 14.049 0.000 0.000 0 2 {?} {?} 3.97504997 0.00863000 0.00320000 {NN} 0.00000000 0 0 0 {?} {?} 3.69636989 0.01885000 0.01885000 {++} 0.00000000 0 0 0 {?} 420 22.366 22.366 0.000 0 2 {?} {48.HA} 3.97427011 0.00930000 0.00908000 {+N} 0.00000000 0 0 0 {?} {61.HB1} 3.11976004 0.04030000 0.03954000 {++} 0.00000000 0 0 0 {?} 421 28.018 28.018 0.000 0 2 {?} {48.HA} 3.97364998 0.00911000 0.01078000 {++} 0.00000000 0 0 0 {?} {61.HB2} 3.02323008 0.03999000 0.04487000 {++} 0.00000000 0 0 0 {?} 422 11.513 0.000 0.000 0 2 {?} {?} 3.97427011 0.00015000 0.00009000 {NN} 0.00000000 0 0 0 {?} {?} 2.89761996 0.00085000 0.00085000 {NN} 0.00000000 0 0 0 {?} 423 19.869 0.000 0.000 0 2 {?} {?} 3.97413993 0.00883000 0.00749000 {+N} 0.00000000 0 0 0 {?} {?} 2.35655999 0.03638000 0.03638000 {++} 0.00000000 0 0 0 {?} 424 50.221 0.000 0.000 0 2 {?} {?} 3.97461009 0.01173000 0.01760000 {+P} 0.00000000 0 0 0 {?} {?} 2.09874010 0.05030000 0.06939000 {++} 0.00000000 0 0 0 {?} 425 13.200 0.000 0.000 0 2 {?} {?} 3.96441007 0.00522000 0.00233000 {NN} 0.00000000 0 0 0 {?} {?} 3.68215990 0.01954000 0.01954000 {++} 0.00000000 0 0 0 {?} 426 14.081 0.000 0.000 0 2 {?} {?} 3.96583009 0.00867000 0.00324000 {NP} 0.00000000 0 0 0 {?} {?} 3.11169004 0.01813000 0.01813000 {++} 0.00000000 0 0 0 {?} 427 1195.737 0.000 0.000 0 2 {?} {?} 3.95616007 0.00997000 0.01760000 {PP} 0.00000000 0 0 0 {?} {?} 3.95273995 0.04182000 0.09492000 {++} 0.00000000 0 0 0 {?} 428 431.185 0.000 0.000 0 2 {?} {?} 3.95015001 0.00614000 0.04107000 {PP} 0.00000000 0 0 0 {?} {?} 4.01276016 0.03692000 0.07722000 {P+} 0.00000000 0 0 0 {?} 429 16.524 0.000 0.000 0 2 {?} {?} 3.94990993 0.00668000 0.00410000 {+N} 0.00000000 0 0 0 {?} {?} 1.49564004 0.01212000 0.01212000 {++} 0.00000000 0 0 0 {?} 430 19.443 0.000 0.000 0 2 {?} {?} 3.93852997 0.00397000 0.00326000 {NN} 0.00000000 0 0 0 {?} {?} 1.45072997 0.02801000 0.02448000 {++} 0.00000000 0 0 0 {?} 431 17.215 0.000 0.000 0 2 {?} {?} 3.92760992 0.00801000 0.00580000 {NN} 0.00000000 0 0 0 {?} {?} 1.45814002 0.03383000 0.02300000 {++} 0.00000000 0 0 0 {?} 432 170.736 0.000 0.000 0 2 {?} {?} 3.92337990 0.00843000 0.02293000 {++} 0.00000000 0 0 0 {?} {?} 4.15644979 0.04599000 0.07649000 {++} 0.00000000 0 0 0 {?} 433 231.380 0.000 0.000 0 2 {?} {?} 3.92382002 0.00442000 0.00841000 {NP} 0.00000000 0 0 0 {?} {?} 4.01262999 0.03116000 0.06835000 {P+} 0.00000000 0 0 0 {?} 434 53.135 0.000 0.000 0 2 {?} {?} 3.91632009 0.02128000 0.03451000 {++} 0.00000000 0 0 0 {?} {?} 4.33086014 0.03369000 0.05036000 {++} 0.00000000 0 0 0 {?} 435 1414.377 0.000 0.000 0 2 {?} {?} 3.91554999 0.01760000 0.06454000 {PP} 0.00000000 0 0 0 {?} {?} 3.91366005 0.04387000 0.09034000 {++} 0.00000000 0 0 0 {?} 436 12.942 0.000 0.000 0 2 {?} {?} 3.91127992 0.01294000 0.01294000 {+P} 0.00000000 0 0 0 {?} {?} 0.83762002 0.01135000 0.01135000 {++} 0.00000000 0 0 0 {?} 437 90.262 0.000 0.000 0 2 {?} {?} 3.89682007 0.00699000 0.01889000 {++} 0.00000000 0 0 0 {?} {?} 4.15301991 0.04300000 0.06942000 {++} 0.00000000 0 0 0 {?} 438 1848.173 0.000 0.000 0 2 {?} {?} 3.90116000 0.01524000 0.09975000 {+P} 0.00000000 0 0 0 {?} {?} 3.90214992 0.03818000 0.08539000 {++} 0.00000000 0 0 0 {?} 439 57.195 0.000 0.000 0 2 {?} {?} 3.89985991 0.01288000 0.02291000 {++} 0.00000000 0 0 0 {?} {?} 1.50794005 0.03302000 0.05160000 {++} 0.00000000 0 0 0 {?} 440 12.628 0.000 0.000 0 2 {?} {?} 3.87556005 0.00321000 0.00321000 {NN} 0.00000000 0 0 0 {?} {?} 3.67701006 0.01165000 0.01165000 {++} 0.00000000 0 0 0 {?} 441 172.647 0.000 0.000 0 2 {?} {?} 3.87091994 0.00776000 0.02197000 {+P} 0.00000000 0 0 0 {?} {?} 4.11090994 0.04423000 0.07244000 {++} 0.00000000 0 0 0 {?} 442 425.749 0.000 0.000 0 2 {?} {?} 3.87107992 0.01264000 0.07474000 {P+} 0.00000000 0 0 0 {?} {?} 3.86824989 0.04645000 0.10770000 {++} 0.00000000 0 0 0 {?} 443 18.112 0.000 0.000 0 2 {?} {?} 3.85331988 0.00978000 0.00720000 {N+} 0.00000000 0 0 0 {?} {?} 3.69460011 0.03469000 0.03469000 {++} 0.00000000 0 0 0 {?} 444 105.274 0.000 0.000 0 2 {?} {?} 3.84049010 0.00943000 0.02183000 {++} 0.00000000 0 0 0 {?} {?} 4.10797977 0.04624000 0.07101000 {++} 0.00000000 0 0 0 {?} 445 273.513 0.000 0.000 0 2 {?} {?} 3.84008002 0.02009000 0.04107000 {+P} 0.00000000 0 0 0 {?} {?} 3.84594011 0.04924000 0.11186000 {++} 0.00000000 0 0 0 {?} 446 15.136 0.000 0.000 0 2 {?} {?} 3.83964992 0.00755000 0.00563000 {NN} 0.00000000 0 0 0 {?} {?} 3.68730998 0.02405000 0.02405000 {++} 0.00000000 0 0 0 {?} 447 1276.313 0.000 0.000 0 2 {?} {?} 3.81090999 0.01068000 0.09975000 {PP} 0.00000000 0 0 0 {?} {?} 3.80294991 0.03328000 0.06826000 {++} 0.00000000 0 0 0 {?} 448 17.837 0.000 0.000 0 2 {?} {?} 3.80929995 0.00674000 0.00483000 {+N} 0.00000000 0 0 0 {?} {?} 2.18755007 0.03247000 0.03247000 {++} 0.00000000 0 0 0 {?} 449 31.950 0.000 0.000 0 2 {?} {?} 3.81106997 0.00837000 0.01074000 {++} 0.00000000 0 0 0 {?} {?} 1.61914003 0.04224000 0.05195000 {++} 0.00000000 0 0 0 {?} 450 72.409 0.000 0.000 0 2 {?} {?} 3.81070995 0.00888000 0.01937000 {++} 0.00000000 0 0 0 {?} {?} 1.15219998 0.03394000 0.05520000 {++} 0.00000000 0 0 0 {?} 451 54.719 0.000 0.000 0 2 {?} {?} 3.81067991 0.00813000 0.01528000 {++} 0.00000000 0 0 0 {?} {?} 1.02339995 0.03636000 0.05180000 {++} 0.00000000 0 0 0 {?} 452 79.140 0.000 0.000 0 2 {?} {?} 3.79659009 0.03770000 0.05444000 {++} 0.00000000 0 0 0 {?} {?} 4.19808006 0.04470000 0.07154000 {++} 0.00000000 0 0 0 {?} 453 13.524 0.000 0.000 0 2 {?} {?} 3.80021000 0.00779000 0.00325000 {NN} 0.00000000 0 0 0 {?} {?} 1.67133999 0.01864000 0.01864000 {++} 0.00000000 0 0 0 {?} 454 51.858 0.000 0.000 0 2 {?} {?} 3.79241991 0.00496000 0.01760000 {PN} 0.00000000 0 0 0 {?} {?} 3.65632010 0.02050000 0.02914000 {++} 0.00000000 0 0 0 {?} 455 42.709 0.000 0.000 0 2 {?} {?} 3.79268003 0.00676000 0.00990000 {+N} 0.00000000 0 0 0 {?} {?} 2.17556000 0.04398000 0.08788000 {P+} 0.00000000 0 0 0 {?} 456 15.302 0.000 0.000 0 2 {?} {?} 3.79475999 0.00841000 0.00841000 {NP} 0.00000000 0 0 0 {?} {?} 1.96580994 0.03721000 0.03721000 {++} 0.00000000 0 0 0 {?} 457 37.117 0.000 0.000 0 2 {?} {?} 3.79231000 0.00659000 0.00912000 {+N} 0.00000000 0 0 0 {?} {?} 1.61992002 0.03820000 0.04955000 {++} 0.00000000 0 0 0 {?} 458 76.951 0.000 0.000 0 2 {?} {?} 3.79197001 0.00683000 0.01163000 {++} 0.00000000 0 0 0 {?} {?} 1.15147996 0.03871000 0.06269000 {++} 0.00000000 0 0 0 {?} 459 59.665 0.000 0.000 0 2 {?} {?} 3.79022002 0.00664000 0.04107000 {P+} 0.00000000 0 0 0 {?} {?} 1.02502000 0.03406000 0.05217000 {++} 0.00000000 0 0 0 {?} 460 48.965 0.000 0.000 0 2 {?} {?} 3.78624010 0.01575000 0.02934000 {PP} 0.00000000 0 0 0 {?} {?} 2.11214995 0.05924000 0.10687000 {++} 0.00000000 0 0 0 {?} 461 1738.139 0.000 0.000 0 2 {?} {?} 3.78278995 0.01760000 0.05281000 {PP} 0.00000000 0 0 0 {?} {?} 3.77684999 0.04000000 0.07610000 {++} 0.00000000 0 0 0 {?} 462 55.563 0.000 0.000 0 2 {?} {?} 3.78158998 0.00694000 0.01101000 {+P} 0.00000000 0 0 0 {?} {?} 3.65387011 0.02370000 0.03423000 {++} 0.00000000 0 0 0 {?} 463 38.505 0.000 0.000 0 2 {?} {?} 3.78158998 0.01446000 0.01783000 {P+} 0.00000000 0 0 0 {?} {?} 3.56678009 0.02481000 0.03292000 {++} 0.00000000 0 0 0 {?} 464 12.658 0.000 0.000 0 2 {?} {?} 3.78116012 0.00282000 0.00282000 {NN} 0.00000000 0 0 0 {?} {?} 1.32845998 0.01503000 0.01503000 {++} 0.00000000 0 0 0 {?} 465 19.220 0.000 0.000 0 2 {?} {?} 3.77980995 0.00814000 0.00658000 {+N} 0.00000000 0 0 0 {?} {?} 0.97000003 0.03080000 0.02504000 {++} 0.00000000 0 0 0 {?} 466 32.618 0.000 0.000 0 2 {?} {?} 3.78088999 0.00947000 0.01322000 {++} 0.00000000 0 0 0 {?} {?} 0.80520999 0.03587000 0.08788000 {P+} 0.00000000 0 0 0 {?} 467 22.147 0.000 0.000 0 2 {?} {?} 3.78011990 0.00711000 0.00688000 {+N} 0.00000000 0 0 0 {?} {?} 0.75664997 0.02929000 0.02929000 {+P} 0.00000000 0 0 0 {?} 468 41.138 0.000 0.000 0 2 {?} {?} 3.77999997 0.00997000 0.01651000 {++} 0.00000000 0 0 0 {?} {?} 0.68619001 0.02877000 0.03893000 {++} 0.00000000 0 0 0 {?} 469 1279.053 0.000 0.000 0 2 {?} {?} 3.77011991 0.01760000 0.01760000 {+P} 0.00000000 0 0 0 {?} {?} 3.77617002 0.03708000 0.07130000 {++} 0.00000000 0 0 0 {?} 470 15.089 0.000 0.000 0 2 {?} {?} 3.76940989 0.00486000 0.00235000 {NN} 0.00000000 0 0 0 {?} {?} 3.63048005 0.01061000 0.01061000 {++} 0.00000000 0 0 0 {?} 471 34.077 0.000 0.000 0 2 {?} {?} 3.77107000 0.00554000 0.00736000 {NP} 0.00000000 0 0 0 {?} {?} 3.56756997 0.01835000 0.02353000 {++} 0.00000000 0 0 0 {?} 472 65.267 0.000 0.000 0 2 {?} {?} 3.76988006 0.00842000 0.01760000 {+P} 0.00000000 0 0 0 {?} {?} 2.11363006 0.04246000 0.06508000 {++} 0.00000000 0 0 0 {?} 473 16.190 0.000 0.000 0 2 {?} {?} 3.76957989 0.00695000 0.00695000 {NN} 0.00000000 0 0 0 {?} {?} 2.02593994 0.03661000 0.03661000 {++} 0.00000000 0 0 0 {?} 474 51.032 0.000 0.000 0 2 {?} {?} 3.76959991 0.00868000 0.01760000 {+P} 0.00000000 0 0 0 {?} {?} 1.12460005 0.03184000 0.04699000 {++} 0.00000000 0 0 0 {?} 475 50.949 0.000 0.000 0 2 {?} {?} 3.76970005 0.00811000 0.01387000 {+P} 0.00000000 0 0 0 {?} {?} 1.03110003 0.03206000 0.04635000 {++} 0.00000000 0 0 0 {?} 476 27.659 0.000 0.000 0 2 {?} {?} 3.75939989 0.00928000 0.01088000 {+P} 0.00000000 0 0 0 {?} {?} 2.06697989 0.04872000 0.05353000 {++} 0.00000000 0 0 0 {?} 477 14.730 0.000 0.000 0 2 {?} {?} 3.75507998 0.01105000 0.00492000 {+N} 0.00000000 0 0 0 {?} {?} 1.76098001 0.02199000 0.02199000 {++} 0.00000000 0 0 0 {?} 478 11.467 0.000 0.000 0 2 {?} {?} 3.75595999 0.00020000 0.00004000 {NN} 0.00000000 0 0 0 {?} {?} 1.59095001 0.00021000 0.00021000 {NN} 0.00000000 0 0 0 {?} 479 25.380 0.000 0.000 0 2 {?} {?} 3.75752997 0.01619000 0.01721000 {++} 0.00000000 0 0 0 {?} {?} 1.32340002 0.04926000 0.05295000 {++} 0.00000000 0 0 0 {?} 480 49.584 0.000 0.000 0 2 {?} {?} 3.75569010 0.01332000 0.04107000 {P+} 0.00000000 0 0 0 {?} {?} 0.97237003 0.03262000 0.04918000 {++} 0.00000000 0 0 0 {?} 481 38.049 0.000 0.000 0 2 {?} {?} 3.75872993 0.00840000 0.01176000 {++} 0.00000000 0 0 0 {?} {?} 0.80628997 0.03719000 0.08788000 {P+} 0.00000000 0 0 0 {?} 482 22.897 0.000 0.000 0 2 {?} {?} 3.75854993 0.00704000 0.00704000 {N+} 0.00000000 0 0 0 {?} {?} 0.75204003 0.03263000 0.03263000 {+P} 0.00000000 0 0 0 {?} 483 45.448 0.000 0.000 0 2 {?} {?} 3.75885010 0.00970000 0.01689000 {++} 0.00000000 0 0 0 {?} {?} 0.68273002 0.03676000 0.05109000 {++} 0.00000000 0 0 0 {?} 484 1105.188 0.000 0.000 0 2 {?} {?} 3.75378990 0.00682000 0.04107000 {PP} 0.00000000 0 0 0 {?} {?} 3.74340010 0.03984000 0.08737000 {++} 0.00000000 0 0 0 {?} 485 13.684 0.000 0.000 0 2 {?} {?} 3.75264001 0.00470000 0.00315000 {NN} 0.00000000 0 0 0 {?} {?} 1.68594003 0.01910000 0.01910000 {++} 0.00000000 0 0 0 {?} 486 670.734 0.000 0.000 0 2 {?} {?} 3.74522996 0.00519000 0.01760000 {P+} 0.00000000 0 0 0 {?} {?} 3.69707990 0.03755000 0.07046000 {+P} 0.00000000 0 0 0 {?} 487 1981.487 0.000 0.000 0 2 {?} {?} 3.72696996 0.00767000 0.02934000 {PP} 0.00000000 0 0 0 {?} {?} 3.72694993 0.04792000 0.09320000 {++} 0.00000000 0 0 0 {?} 488 15.606 0.000 0.000 0 2 {?} {?} 3.72970009 0.00876000 0.00876000 {N+} 0.00000000 0 0 0 {?} {?} 1.75696003 0.03745000 0.03745000 {++} 0.00000000 0 0 0 {?} 489 13.272 0.000 0.000 0 2 {?} {?} 3.73004007 0.00911000 0.00309000 {NN} 0.00000000 0 0 0 {?} {?} 1.67970002 0.01827000 0.01827000 {++} 0.00000000 0 0 0 {?} 490 17.399 0.000 0.000 0 2 {?} {?} 3.72834992 0.00960000 0.00657000 {NN} 0.00000000 0 0 0 {?} {?} 1.58240998 0.02923000 0.02923000 {++} 0.00000000 0 0 0 {?} 491 23.891 0.000 0.000 0 2 {?} {?} 3.72853994 0.02065000 0.02149000 {+P} 0.00000000 0 0 0 {?} {?} 1.33533001 0.05351000 0.05505000 {++} 0.00000000 0 0 0 {?} 492 45.173 0.000 0.000 0 2 {?} {?} 3.73008990 0.01375000 0.02221000 {+P} 0.00000000 0 0 0 {?} {?} 0.96853000 0.03420000 0.05102000 {++} 0.00000000 0 0 0 {?} 493 26.539 0.000 0.000 0 2 {?} {?} 3.72157001 0.00383000 0.00435000 {NN} 0.00000000 0 0 0 {?} {?} 3.60968995 0.02632000 0.02820000 {++} 0.00000000 0 0 0 {?} 494 2241.635 0.000 0.000 0 2 {?} {?} 3.71795011 0.00756000 0.01760000 {PP} 0.00000000 0 0 0 {?} {?} 3.71795988 0.03435000 0.06480000 {++} 0.00000000 0 0 0 {?} 495 16.105 0.000 0.000 0 2 {?} {?} 3.71637988 0.00821000 0.00592000 {NN} 0.00000000 0 0 0 {?} {?} 2.04473996 0.03636000 0.03636000 {++} 0.00000000 0 0 0 {?} 496 12.612 0.000 0.000 0 2 {?} {?} 3.71738005 0.00394000 0.00394000 {NN} 0.00000000 0 0 0 {?} {?} 1.76827002 0.00903000 0.00903000 {N+} 0.00000000 0 0 0 {?} 497 11.678 0.000 0.000 0 2 {?} {?} 3.71248007 0.00085000 0.00028000 {NN} 0.00000000 0 0 0 {?} {?} 3.07325006 0.00237000 0.00237000 {NN} 0.00000000 0 0 0 {?} 498 11.789 0.000 0.000 0 2 {?} {?} 3.70679998 0.00106000 0.00029000 {NN} 0.00000000 0 0 0 {?} {?} 3.18124008 0.00325000 0.00325000 {NN} 0.00000000 0 0 0 {?} 499 16.713 0.000 0.000 0 2 {?} {?} 3.70553994 0.01627000 0.01627000 {+P} 0.00000000 0 0 0 {?} {?} 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525 26.000 0.000 0.000 0 2 {?} {?} 3.68128991 0.00701000 0.00785000 {+N} 0.00000000 0 0 0 {?} {?} 0.55555999 0.05291000 0.05775000 {++} 0.00000000 0 0 0 {?} 526 16920.682 0.000 0.000 0 2 {?} {?} 3.67810011 0.00682000 0.02934000 {+P} 0.00000000 0 0 0 {?} {?} 3.67729998 0.02965000 0.05588000 {++} 0.00000000 0 0 0 {?} 527 11.555 0.000 0.000 0 2 {?} {?} 3.67542005 0.00592000 0.00011000 {NN} 0.00000000 0 0 0 {?} {?} 1.88041997 0.00086000 0.00086000 {NN} 0.00000000 0 0 0 {?} 528 12.301 0.000 0.000 0 2 {?} {?} 3.67724991 0.00301000 0.00101000 {NN} 0.00000000 0 0 0 {?} {?} 1.67650998 0.00615000 0.00615000 {+N} 0.00000000 0 0 0 {?} 529 15.978 0.000 0.000 0 2 {?} {?} 3.67537999 0.00496000 0.00282000 {NN} 0.00000000 0 0 0 {?} {?} 1.60039997 0.02776000 0.02474000 {++} 0.00000000 0 0 0 {?} 530 15.927 0.000 0.000 0 2 {?} {?} 3.67677999 0.00712000 0.00400000 {NN} 0.00000000 0 0 0 {?} {?} 1.40121996 0.03834000 0.03834000 {++} 0.00000000 0 0 0 {?} 531 12.380 0.000 0.000 0 2 {?} {?} 3.67658997 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3.79260993 0.01847000 0.01093000 {++} 0.00000000 0 0 0 {?} 538 34.449 0.000 0.000 0 2 {?} {?} 3.66064000 0.00659000 0.00880000 {N+} 0.00000000 0 0 0 {?} {?} 1.18735003 0.02339000 0.02884000 {++} 0.00000000 0 0 0 {?} 539 127.583 0.000 0.000 0 2 {?} {?} 3.65119004 0.00955000 0.02960000 {++} 0.00000000 0 0 0 {?} {?} 4.37141991 0.05595000 0.08248000 {++} 0.00000000 0 0 0 {?} 540 56.573 0.000 0.000 0 2 {?} {?} 3.64994001 0.00411000 0.00656000 {+N} 0.00000000 0 0 0 {?} {?} 3.79023004 0.02035000 0.02911000 {++} 0.00000000 0 0 0 {?} 541 1663.234 0.000 0.000 0 2 {?} {?} 3.65135002 0.01760000 0.05281000 {PP} 0.00000000 0 0 0 {?} {?} 3.65130997 0.03336000 0.06226000 {++} 0.00000000 0 0 0 {?} 542 368.487 0.000 0.000 0 2 {?} {?} 3.65311003 0.00771000 0.02065000 {++} 0.00000000 0 0 0 {?} {?} 3.56628990 0.03372000 0.06590000 {++} 0.00000000 0 0 0 {?} 543 26.626 0.000 0.000 0 2 {?} {?} 3.65162992 0.01273000 0.01472000 {++} 0.00000000 0 0 0 {?} {?} 0.76669002 0.03208000 0.03562000 {++} 0.00000000 0 0 0 {?} 544 20.149 0.000 0.000 0 2 {?} {?} 3.64655995 0.00670000 0.00579000 {NN} 0.00000000 0 0 0 {?} {?} 1.18938005 0.02745000 0.02520000 {++} 0.00000000 0 0 0 {?} 545 117.839 0.000 0.000 0 2 {?} {?} 3.61908007 0.01022000 0.03350000 {++} 0.00000000 0 0 0 {?} {?} 4.37054014 0.05400000 0.08535000 {++} 0.00000000 0 0 0 {?} 546 27.746 0.000 0.000 0 2 {?} {?} 3.61536002 0.00329000 0.00387000 {+N} 0.00000000 0 0 0 {?} {?} 3.72570992 0.02753000 0.02934000 {++} 0.00000000 0 0 0 {?} 547 636.478 0.000 0.000 0 2 {?} {?} 3.61738992 0.02351000 0.05411000 {++} 0.00000000 0 0 0 {?} {?} 3.61670995 0.03506000 0.07596000 {++} 0.00000000 0 0 0 {?} 548 22.803 0.000 0.000 0 2 {?} {?} 3.61929011 0.00826000 0.00823000 {N+} 0.00000000 0 0 0 {?} {?} 0.76801997 0.04624000 0.04614000 {++} 0.00000000 0 0 0 {?} 549 979.219 0.000 0.000 0 2 {?} {?} 3.58168006 0.00706000 0.04277000 {P+} 0.00000000 0 0 0 {?} {?} 3.56873989 0.03328000 0.06464000 {++} 0.00000000 0 0 0 {?} 550 48.476 0.000 0.000 0 2 {?} {?} 3.57681990 0.00488000 0.00746000 {N+} 0.00000000 0 0 0 {?} {?} 3.78684998 0.03890000 0.05139000 {++} 0.00000000 0 0 0 {?} 551 800.927 0.000 0.000 0 2 {?} {?} 3.56932998 0.00900000 0.01760000 {PP} 0.00000000 0 0 0 {?} {?} 3.56796002 0.03277000 0.06315000 {++} 0.00000000 0 0 0 {?} 552 337.136 0.000 0.000 0 2 {?} {?} 3.56553006 0.00423000 0.00816000 {NP} 0.00000000 0 0 0 {?} {?} 3.65615010 0.03430000 0.06320000 {++} 0.00000000 0 0 0 {?} 553 38.708 0.000 0.000 0 2 {?} {?} 3.56435990 0.02195000 0.03733000 {P+} 0.00000000 0 0 0 {?} {?} 3.03014994 0.04805000 0.06368000 {++} 0.00000000 0 0 0 {?} 554 56.687 0.000 0.000 0 2 {?} {?} 3.55759001 0.00307000 0.00490000 {NN} 0.00000000 0 0 0 {?} {?} 3.78724003 0.03290000 0.04658000 {++} 0.00000000 0 0 0 {?} 555 744.365 0.000 0.000 0 2 {?} {?} 3.55964994 0.01111000 0.01760000 {PP} 0.00000000 0 0 0 {?} {?} 3.56079006 0.03995000 0.07779000 {++} 0.00000000 0 0 0 {?} 556 81.113 0.000 0.000 0 2 {?} {?} 3.55294991 0.00279000 0.00480000 {NN} 0.00000000 0 0 0 {?} {?} 3.64225006 0.03312000 0.04502000 {++} 0.00000000 0 0 0 {?} 557 12.347 0.000 0.000 0 2 {?} {?} 3.54990005 0.00360000 0.00052000 {+N} 0.00000000 0 0 0 {?} {?} 3.44989991 0.00465000 0.00465000 {N+} 0.00000000 0 0 0 {?} 558 681.625 0.000 0.000 0 2 {?} {?} 3.54742002 0.00734000 0.06454000 {PP} 0.00000000 0 0 0 {?} {?} 3.56154990 0.04082000 0.07518000 {++} 0.00000000 0 0 0 {?} 559 50.217 0.000 0.000 0 2 {?} {?} 3.54171991 0.02934000 0.04107000 {PP} 0.00000000 0 0 0 {?} {?} 3.02741003 0.05161000 0.07377000 {++} 0.00000000 0 0 0 {?} 560 18.106 0.000 0.000 0 2 {?} {?} 3.53443003 0.00792000 0.00583000 {NN} 0.00000000 0 0 0 {?} {?} 3.46303010 0.04882000 0.04690000 {+P} 0.00000000 0 0 0 {?} 561 172.906 0.000 0.000 0 2 {?} {?} 3.52012992 0.03422000 0.04107000 {+P} 0.00000000 0 0 0 {?} {?} 3.51896000 0.04441000 0.09530000 {++} 0.00000000 0 0 0 {?} 562 37.166 0.000 0.000 0 2 {?} {?} 3.51551008 0.01760000 0.01760000 {+P} 0.00000000 0 0 0 {?} {?} 3.02914000 0.04941000 0.06656000 {++} 0.00000000 0 0 0 {?} 563 187.286 0.000 0.000 0 2 {?} {?} 3.50426006 0.01760000 0.07140000 {P+} 0.00000000 0 0 0 {?} {?} 3.49633002 0.05306000 0.10174000 {++} 0.00000000 0 0 0 {?} 564 12.497 0.000 0.000 0 2 {?} {?} 3.49335003 0.00396000 0.00396000 {NN} 0.00000000 0 0 0 {?} {?} 4.59078979 0.00757000 0.00757000 {N+} 0.00000000 0 0 0 {?} 565 40.924 0.000 0.000 0 2 {?} {?} 3.48874998 0.05760000 0.06882000 {++} 0.00000000 0 0 0 {?} {?} 2.52045012 0.05033000 0.07183000 {++} 0.00000000 0 0 0 {?} 566 495.364 0.000 0.000 0 2 {?} {?} 3.47646999 0.02074000 0.05281000 {PP} 0.00000000 0 0 0 {?} {?} 3.46870995 0.03614000 0.07616000 {++} 0.00000000 0 0 0 {?} 567 24.228 0.000 0.000 0 2 {?} {?} 3.47546005 0.01404000 0.02934000 {P+} 0.00000000 0 0 0 {?} {?} 1.89470005 0.04298000 0.04467000 {++} 0.00000000 0 0 0 {?} 568 22.536 0.000 0.000 0 2 {?} {?} 3.47641993 0.01848000 0.01832000 {++} 0.00000000 0 0 0 {?} {?} 1.42394996 0.04232000 0.04187000 {++} 0.00000000 0 0 0 {?} 569 23.877 0.000 0.000 0 2 {?} {?} 3.47672009 0.01741000 0.01783000 {++} 0.00000000 0 0 0 {?} {?} 1.11124003 0.03710000 0.03818000 {++} 0.00000000 0 0 0 {?} 570 20.634 0.000 0.000 0 2 {?} {?} 3.47643995 0.01788000 0.01657000 {++} 0.00000000 0 0 0 {?} {?} 0.86908001 0.04869000 0.04554000 {++} 0.00000000 0 0 0 {?} 571 32.018 0.000 0.000 0 2 {?} {?} 3.47702003 0.01819000 0.02934000 {P+} 0.00000000 0 0 0 {?} {?} 0.59218001 0.03217000 0.03931000 {++} 0.00000000 0 0 0 {?} 572 35.975 0.000 0.000 0 2 {?} {?} 3.45753002 0.01094000 0.01760000 {+P} 0.00000000 0 0 0 {?} {?} 1.89423001 0.04250000 0.05433000 {++} 0.00000000 0 0 0 {?} 573 27.437 0.000 0.000 0 2 {?} {?} 3.45671010 0.00901000 0.01050000 {++} 0.00000000 0 0 0 {?} {?} 1.11046004 0.03980000 0.04496000 {++} 0.00000000 0 0 0 {?} 574 23.951 0.000 0.000 0 2 {?} {?} 3.45234990 0.01296000 0.02934000 {P+} 0.00000000 0 0 0 {?} {?} 4.35691023 0.03618000 0.03739000 {++} 0.00000000 0 0 0 {?} 575 495.919 0.000 0.000 0 2 {?} {?} 3.45528007 0.01150000 0.02934000 {+P} 0.00000000 0 0 0 {?} {?} 3.46178007 0.03952000 0.07714000 {++} 0.00000000 0 0 0 {?} 576 111.748 0.000 0.000 0 2 {?} {?} 3.45193005 0.01744000 0.06381000 {P+} 0.00000000 0 0 0 {?} {?} 3.32439995 0.03986000 0.06625000 {++} 0.00000000 0 0 0 {?} 577 20.737 20.737 0.000 0 2 {?} {17.HA} 3.45465994 0.01317000 0.01186000 {++} 0.00000000 0 0 0 {?} {20.HB1} 1.42549002 0.03365000 0.03106000 {++} 0.00000000 0 0 0 {?} 578 22.703 0.000 0.000 0 2 {?} {?} 3.45483994 0.00750000 0.00743000 {N+} 0.00000000 0 0 0 {?} {?} 0.85925001 0.04886000 0.04859000 {++} 0.00000000 0 0 0 {?} 579 31.972 0.000 0.000 0 2 {?} {?} 3.45478010 0.00845000 0.01085000 {+P} 0.00000000 0 0 0 {?} {?} 0.59077001 0.03110000 0.03807000 {++} 0.00000000 0 0 0 {?} 580 15.955 0.000 0.000 0 2 {?} {?} 3.44814992 0.00326000 0.00184000 {NN} 0.00000000 0 0 0 {?} {?} 3.54883003 0.01349000 0.01349000 {++} 0.00000000 0 0 0 {?} 581 94.398 0.000 0.000 0 2 {?} {?} 3.43397999 0.01760000 0.06454000 {PP} 0.00000000 0 0 0 {?} {?} 3.32377005 0.03992000 0.06136000 {++} 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3.41156006 0.01145000 0.01145000 {++} 0.00000000 0 0 0 {?} {?} 2.02385998 0.03627000 0.03627000 {++} 0.00000000 0 0 0 {?} 589 46.406 0.000 0.000 0 2 {?} {?} 3.41055012 0.01054000 0.01760000 {+P} 0.00000000 0 0 0 {?} {?} 0.97382998 0.03344000 0.04762000 {++} 0.00000000 0 0 0 {?} 590 59.139 0.000 0.000 0 2 {?} {?} 3.41058993 0.01144000 0.01760000 {+P} 0.00000000 0 0 0 {?} {?} 0.75840998 0.03921000 0.05752000 {++} 0.00000000 0 0 0 {?} 591 25.058 0.000 0.000 0 2 {?} {?} 3.40048003 0.01760000 0.01760000 {PP} 0.00000000 0 0 0 {?} {?} 3.33445001 0.06625000 0.06835000 {+P} 0.00000000 0 0 0 {?} 592 190.069 0.000 0.000 0 2 {?} {?} 3.39274001 0.01760000 0.01760000 {+P} 0.00000000 0 0 0 {?} {?} 3.39617991 0.04055000 0.07657000 {++} 0.00000000 0 0 0 {?} 593 12.513 0.000 0.000 0 2 {?} {?} 3.38982010 0.00350000 0.00108000 {NN} 0.00000000 0 0 0 {?} {?} 0.75485998 0.00988000 0.00988000 {N+} 0.00000000 0 0 0 {?} 594 186.098 0.000 0.000 0 2 {?} {?} 3.37384009 0.01092000 0.03428000 {P+} 0.00000000 0 0 0 {?} {?} 3.35994005 0.05053000 0.09690000 {+P} 0.00000000 0 0 0 {?} 595 51.212 0.000 0.000 0 2 {?} {?} 3.37433004 0.01131000 0.03217000 {P+} 0.00000000 0 0 0 {?} {?} 3.05438995 0.05207000 0.07451000 {++} 0.00000000 0 0 0 {?} 596 26.943 0.000 0.000 0 2 {?} {?} 3.35863996 0.01926000 0.02087000 {++} 0.00000000 0 0 0 {?} {?} 4.55829000 0.03368000 0.03712000 {++} 0.00000000 0 0 0 {?} 597 414.455 0.000 0.000 0 2 {?} {?} 3.35876989 0.01835000 0.04107000 {PP} 0.00000000 0 0 0 {?} {?} 3.35653996 0.03904000 0.07138000 {++} 0.00000000 0 0 0 {?} 598 93.984 0.000 0.000 0 2 {?} {?} 3.35317993 0.02934000 0.08289000 {P+} 0.00000000 0 0 0 {?} {?} 3.05999994 0.05106000 0.08989000 {++} 0.00000000 0 0 0 {?} 599 13.428 0.000 0.000 0 2 {?} {?} 3.35236001 0.00555000 0.00555000 {NN} 0.00000000 0 0 0 {?} {?} 0.75305998 0.01067000 0.01067000 {++} 0.00000000 0 0 0 {?} 600 39.699 0.000 0.000 0 2 {?} {?} 3.33317995 0.01088000 0.01967000 {++} 0.00000000 0 0 0 {?} {?} 4.55799007 0.03717000 0.04862000 {++} 0.00000000 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3.27753997 0.00202000 0.00121000 {NN} 0.00000000 0 0 0 {?} {?} 3.02932000 0.00584000 0.00584000 {N+} 0.00000000 0 0 0 {?} 608 542.309 0.000 0.000 0 2 {?} {?} 3.25305009 0.01050000 0.06236000 {P+} 0.00000000 0 0 0 {?} {?} 3.24325991 0.03285000 0.06487000 {++} 0.00000000 0 0 0 {?} 609 30.256 0.000 0.000 0 2 {?} {?} 3.25295997 0.00878000 0.01092000 {++} 0.00000000 0 0 0 {?} {?} 1.53290999 0.03530000 0.04168000 {++} 0.00000000 0 0 0 {?} 610 34.718 0.000 0.000 0 2 {?} {?} 3.25366998 0.01047000 0.01662000 {++} 0.00000000 0 0 0 {?} {?} 1.42344999 0.03477000 0.04330000 {++} 0.00000000 0 0 0 {?} 611 49.941 0.000 0.000 0 2 {?} {?} 3.25339007 0.00950000 0.02096000 {++} 0.00000000 0 0 0 {?} {?} 0.74953997 0.03594000 0.05052000 {++} 0.00000000 0 0 0 {?} 612 525.424 0.000 0.000 0 2 {?} {?} 3.23167992 0.00921000 0.02934000 {+P} 0.00000000 0 0 0 {?} {?} 3.24004006 0.04022000 0.07273000 {++} 0.00000000 0 0 0 {?} 613 32.565 32.565 0.000 0 2 {?} {32.HA} 3.23088002 0.00892000 0.01157000 {++} 0.00000000 0 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0.01172000 {++} 0.00000000 0 0 0 {?} 620 474.116 0.000 0.000 0 2 {?} {?} 3.18311000 0.02691000 0.08561000 {++} 0.00000000 0 0 0 {?} {?} 3.17879009 0.04228000 0.09330000 {++} 0.00000000 0 0 0 {?} 621 20.833 20.833 0.000 0 2 {?} {45.HB1} 3.18435001 0.01760000 0.02106000 {P+} 0.00000000 0 0 0 {?} {17.HG21} 1.00505996 0.03601000 0.03328000 {++} 0.00000000 0 0 0 {?} 622 16.660 0.000 0.000 0 2 {?} {?} 3.17986012 0.01760000 0.01760000 {+P} 0.00000000 0 0 0 {?} {?} 4.87323999 0.03547000 0.02556000 {++} 0.00000000 0 0 0 {?} 623 17.154 0.000 0.000 0 2 {?} {?} 3.17086005 0.00847000 0.00563000 {NN} 0.00000000 0 0 0 {?} {?} 4.19313002 0.03764000 0.02834000 {++} 0.00000000 0 0 0 {?} 624 15.263 0.000 0.000 0 2 {?} {?} 3.16974998 0.01060000 0.01760000 {P+} 0.00000000 0 0 0 {?} {?} 3.04637003 0.02929000 0.06835000 {PP} 0.00000000 0 0 0 {?} 625 13.456 0.000 0.000 0 2 {?} {?} 3.17117000 0.00713000 0.00713000 {NN} 0.00000000 0 0 0 {?} {?} 2.99215007 0.03978000 0.03978000 {+P} 0.00000000 0 0 0 {?} 626 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0.00497000 0.00497000 {NN} 0.00000000 0 0 0 {?} {?} 3.34586000 0.01905000 0.01905000 {++} 0.00000000 0 0 0 {?} 633 69.177 0.000 0.000 0 2 {?} {?} 3.12968993 0.01760000 0.09524000 {P+} 0.00000000 0 0 0 {?} {?} 3.02519989 0.04972000 0.07725000 {+P} 0.00000000 0 0 0 {?} 634 1630.321 0.000 0.000 0 2 {?} {?} 3.12425995 0.00718000 0.12322000 {PP} 0.00000000 0 0 0 {?} {?} 3.12461996 0.03142000 0.05985000 {++} 0.00000000 0 0 0 {?} 635 37.851 0.000 0.000 0 2 {?} {?} 3.11121011 0.01944000 0.03905000 {++} 0.00000000 0 0 0 {?} {?} 4.28115988 0.02908000 0.03813000 {++} 0.00000000 0 0 0 {?} 636 20.726 0.000 0.000 0 2 {?} {?} 3.11312008 0.01009000 0.00904000 {N+} 0.00000000 0 0 0 {?} {?} 4.18759012 0.03433000 0.03173000 {++} 0.00000000 0 0 0 {?} 637 15.260 0.000 0.000 0 2 {?} {?} 3.11109996 0.01050000 0.01050000 {++} 0.00000000 0 0 0 {?} {?} 3.97275996 0.02475000 0.02190000 {++} 0.00000000 0 0 0 {?} 638 127.786 0.000 0.000 0 2 {?} {?} 3.11119008 0.02106000 0.04107000 {PP} 0.00000000 0 0 0 {?} {?} 3.02676010 0.05202000 0.08788000 {+P} 0.00000000 0 0 0 {?} 639 25.493 0.000 0.000 0 2 {?} {?} 3.11214995 0.01257000 0.01463000 {++} 0.00000000 0 0 0 {?} {?} 2.61708999 0.03947000 0.04243000 {++} 0.00000000 0 0 0 {?} 640 45.645 0.000 0.000 0 2 {?} {?} 3.09280992 0.01248000 0.02319000 {++} 0.00000000 0 0 0 {?} {?} 4.55742979 0.03503000 0.04918000 {++} 0.00000000 0 0 0 {?} 641 127.473 0.000 0.000 0 2 {?} {?} 3.09148002 0.01388000 0.06280000 {P+} 0.00000000 0 0 0 {?} {?} 3.34465003 0.04225000 0.07476000 {++} 0.00000000 0 0 0 {?} 642 278.968 0.000 0.000 0 2 {?} {?} 3.09056997 0.02934000 0.06104000 {P+} 0.00000000 0 0 0 {?} {?} 3.08224010 0.05328000 0.20570000 {P+} 0.00000000 0 0 0 {?} 643 20.608 0.000 0.000 0 2 {?} {?} 3.07703996 0.01760000 0.01792000 {P+} 0.00000000 0 0 0 {?} {?} 4.63195992 0.03551000 0.03224000 {++} 0.00000000 0 0 0 {?} 644 150.778 0.000 0.000 0 2 {?} {?} 3.07612991 0.02154000 0.04107000 {PP} 0.00000000 0 0 0 {?} {?} 2.99692011 0.05660000 0.06835000 {+P} 0.00000000 0 0 0 {?} 645 15.326 0.000 0.000 0 2 {?} {?} 3.07031012 0.01687000 0.01687000 {++} 0.00000000 0 0 0 {?} {?} 1.00401998 0.02417000 0.02402000 {++} 0.00000000 0 0 0 {?} 646 26.563 0.000 0.000 0 2 {?} {?} 3.06501007 0.01173000 0.01329000 {++} 0.00000000 0 0 0 {?} {?} 4.55769014 0.03654000 0.06835000 {P+} 0.00000000 0 0 0 {?} 647 132.316 0.000 0.000 0 2 {?} {?} 3.06370997 0.01648000 0.04107000 {PP} 0.00000000 0 0 0 {?} {?} 3.34643006 0.04943000 0.08602000 {++} 0.00000000 0 0 0 {?} 648 13.722 0.000 0.000 0 2 {?} {?} 3.06609988 0.00438000 0.00438000 {NN} 0.00000000 0 0 0 {?} {?} 2.61921000 0.01570000 0.01570000 {++} 0.00000000 0 0 0 {?} 649 20.962 0.000 0.000 0 2 {?} {?} 3.05773997 0.01760000 0.02934000 {PP} 0.00000000 0 0 0 {?} {?} 4.63022995 0.03148000 0.02911000 {++} 0.00000000 0 0 0 {?} 650 16.573 0.000 0.000 0 2 {?} {?} 3.06240010 0.00891000 0.00551000 {N+} 0.00000000 0 0 0 {?} {?} 4.50553989 0.03213000 0.03213000 {++} 0.00000000 0 0 0 {?} 651 14.838 0.000 0.000 0 2 {?} {?} 3.05288005 0.01970000 0.01349000 {++} 0.00000000 0 0 0 {?} {?} 1.25436997 0.02300000 0.02300000 {++} 0.00000000 0 0 0 {?} 652 21.271 0.000 0.000 0 2 {?} {?} 3.05316997 0.01148000 0.02934000 {P+} 0.00000000 0 0 0 {?} {?} 1.00585997 0.03590000 0.03369000 {++} 0.00000000 0 0 0 {?} 653 15.172 0.000 0.000 0 2 {?} {?} 3.05325007 0.00959000 0.00959000 {+N} 0.00000000 0 0 0 {?} {?} 0.58976001 0.01809000 0.01809000 {++} 0.00000000 0 0 0 {?} 654 11.464 0.000 0.000 0 2 {?} {?} 3.05293989 0.00005000 0.00005000 {NN} 0.00000000 0 0 0 {?} {?} 0.46696001 0.00017000 0.00017000 {NN} 0.00000000 0 0 0 {?} 655 13.916 0.000 0.000 0 2 {?} {?} 3.04633999 0.00552000 0.01760000 {PN} 0.00000000 0 0 0 {?} {?} 7.22281981 0.01840000 0.01840000 {++} 0.00000000 0 0 0 {?} 656 21.676 0.000 0.000 0 2 {?} {?} 3.05059004 0.00964000 0.00910000 {N+} 0.00000000 0 0 0 {?} {?} 4.87211990 0.03734000 0.03583000 {++} 0.00000000 0 0 0 {?} 657 44.162 0.000 0.000 0 2 {?} {?} 3.04534006 0.01229000 0.04107000 {P+} 0.00000000 0 0 0 {?} {?} 3.53884006 0.04427000 0.06242000 {++} 0.00000000 0 0 0 {?} 658 20.360 0.000 0.000 0 2 {?} {?} 3.04385996 0.01760000 0.01760000 {PP} 0.00000000 0 0 0 {?} {?} 4.62693024 0.03756000 0.03756000 {++} 0.00000000 0 0 0 {?} 659 13.831 0.000 0.000 0 2 {?} {?} 3.04091001 0.00623000 0.01760000 {PN} 0.00000000 0 0 0 {?} {?} 0.46915001 0.01609000 0.01609000 {++} 0.00000000 0 0 0 {?} 660 18.804 0.000 0.000 0 2 {?} {?} 3.03515005 0.01020000 0.00798000 {+N} 0.00000000 0 0 0 {?} {?} 4.51069021 0.03378000 0.02876000 {++} 0.00000000 0 0 0 {?} 661 42.163 0.000 0.000 0 2 {?} {?} 3.03649998 0.02105000 0.03241000 {P+} 0.00000000 0 0 0 {?} {?} 4.27736998 0.03933000 0.05388000 {++} 0.00000000 0 0 0 {?} 662 54.292 0.000 0.000 0 2 {?} {?} 3.03399992 0.02183000 0.02934000 {+P} 0.00000000 0 0 0 {?} {?} 3.34660006 0.05188000 0.07599000 {++} 0.00000000 0 0 0 {?} 663 1591.357 0.000 0.000 0 2 {?} {?} 3.03670001 0.01670000 0.12322000 {PP} 0.00000000 0 0 0 {?} {?} 3.02447009 0.04362000 0.12694000 {P+} 0.00000000 0 0 0 {?} 664 24.198 24.198 0.000 0 2 {?} {61.HB2} 3.03705001 0.01736000 0.01811000 {++} 0.00000000 0 0 0 {?} {47.HB2} 2.61998010 0.03460000 0.03611000 {++} 0.00000000 0 0 0 {?} 665 17.452 0.000 0.000 0 2 {?} {?} 3.03187990 0.00844000 0.00581000 {N+} 0.00000000 0 0 0 {?} {?} 4.87251997 0.03152000 0.02469000 {++} 0.00000000 0 0 0 {?} 666 18.013 0.000 0.000 0 2 {?} {?} 3.03101993 0.00871000 0.00635000 {N+} 0.00000000 0 0 0 {?} {?} 3.97187996 0.03307000 0.02679000 {++} 0.00000000 0 0 0 {?} 667 85.465 0.000 0.000 0 2 {?} {?} 3.03285003 0.00723000 0.05281000 {PP} 0.00000000 0 0 0 {?} {?} 3.11976004 0.04097000 0.08788000 {P+} 0.00000000 0 0 0 {?} 668 17.550 0.000 0.000 0 2 {?} {?} 3.03083992 0.01695000 0.01678000 {++} 0.00000000 0 0 0 {?} {?} 0.59230000 0.03423000 0.02559000 {++} 0.00000000 0 0 0 {?} 669 3871.945 0.000 0.000 0 2 {?} {?} 3.02421999 0.00757000 0.01760000 {PP} 0.00000000 0 0 0 {?} {?} 3.02278996 0.03522000 0.07260000 {++} 0.00000000 0 0 0 {?} 670 11.926 0.000 0.000 0 2 {?} {?} 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0 {?} {?} 0.82670999 0.03057000 0.03057000 {++} 0.00000000 0 0 0 {?} 1472 14.222 0.000 0.000 0 2 {?} {?} 0.61475998 0.00596000 0.00596000 {NP} 0.00000000 0 0 0 {?} {?} 0.75694001 0.01550000 0.01550000 {++} 0.00000000 0 0 0 {?} 1473 68.102 0.000 0.000 0 2 {?} {?} 0.59408998 0.01273000 0.02211000 {P+} 0.00000000 0 0 0 {?} {?} 4.28283024 0.03702000 0.05737000 {++} 0.00000000 0 0 0 {?} 1474 34.223 0.000 0.000 0 2 {?} {?} 0.59391999 0.01117000 0.01800000 {P+} 0.00000000 0 0 0 {?} {?} 3.46614003 0.03724000 0.04739000 {++} 0.00000000 0 0 0 {?} 1475 16.060 0.000 0.000 0 2 {?} {?} 0.59489000 0.00895000 0.00647000 {NN} 0.00000000 0 0 0 {?} {?} 3.04887009 0.02618000 0.02619000 {++} 0.00000000 0 0 0 {?} 1476 52.397 0.000 0.000 0 2 {?} {?} 0.59601003 0.00971000 0.02097000 {P+} 0.00000000 0 0 0 {?} {?} 1.78252006 0.04375000 0.06368000 {++} 0.00000000 0 0 0 {?} 1477 24.880 0.000 0.000 0 2 {?} {?} 0.59543002 0.01653000 0.01760000 {P+} 0.00000000 0 0 0 {?} {?} 1.59187996 0.04480000 0.04831000 {++} 0.00000000 0 0 0 {?} 1478 59.891 0.000 0.000 0 2 {?} {?} 0.59371001 0.01345000 0.02290000 {P+} 0.00000000 0 0 0 {?} {?} 1.43497002 0.04015000 0.06065000 {++} 0.00000000 0 0 0 {?} 1479 25.909 0.000 0.000 0 2 {?} {?} 0.59434003 0.01158000 0.01760000 {P+} 0.00000000 0 0 0 {?} {?} 1.25432003 0.02876000 0.03122000 {++} 0.00000000 0 0 0 {?} 1480 1393.472 0.000 0.000 0 2 {?} {?} 0.59393001 0.01315000 0.06090000 {P+} 0.00000000 0 0 0 {?} {?} 0.59187001 0.03405000 0.06930000 {++} 0.00000000 0 0 0 {?} 1481 44.082 0.000 0.000 0 2 {?} {?} 0.59524000 0.01397000 0.01986000 {P+} 0.00000000 0 0 0 {?} {?} 0.46709001 0.03420000 0.04447000 {++} 0.00000000 0 0 0 {?} 1482 21.372 0.000 0.000 0 2 {?} {?} 0.59052002 0.01760000 0.02934000 {PP} 0.00000000 0 0 0 {?} {?} 0.83741999 0.04586000 0.04350000 {++} 0.00000000 0 0 0 {?} 1483 65.426 0.000 0.000 0 2 {?} {?} 0.58543003 0.00935000 0.01760000 {+P} 0.00000000 0 0 0 {?} {?} 4.28131008 0.03454000 0.05407000 {++} 0.00000000 0 0 0 {?} 1484 37.157 37.157 0.000 0 2 {?} {36.HD11} 0.58494002 0.00926000 0.01458000 {+P} 0.00000000 0 0 0 {?} {17.HA} 3.46339989 0.03888000 0.04939000 {++} 0.00000000 0 0 0 {?} 1485 17.578 17.578 0.000 0 2 {?} {36.HD11} 0.58446997 0.00754000 0.00526000 {NN} 0.00000000 0 0 0 {?} {42.HB1} 3.04748988 0.03728000 0.02851000 {++} 0.00000000 0 0 0 {?} 1486 15.789 15.789 0.000 0 2 {?} {36.HD11} 0.58557999 0.00709000 0.00390000 {N+} 0.00000000 0 0 0 {?} {42.HB2} 2.97345996 0.03376000 0.02330000 {++} 0.00000000 0 0 0 {?} 1487 13.631 0.000 0.000 0 2 {?} {?} 0.58522999 0.01060000 0.00339000 {N+} 0.00000000 0 0 0 {?} {?} 1.89063001 0.01700000 0.01700000 {++} 0.00000000 0 0 0 {?} 1488 25.274 0.000 0.000 0 2 {?} {?} 0.58565998 0.01250000 0.01465000 {+P} 0.00000000 0 0 0 {?} {?} 1.77903998 0.04397000 0.04755000 {++} 0.00000000 0 0 0 {?} 1489 15.791 0.000 0.000 0 2 {?} {?} 0.58436000 0.00677000 0.00409000 {NN} 0.00000000 0 0 0 {?} {?} 1.68163002 0.01946000 0.01946000 {++} 0.00000000 0 0 0 {?} 1490 26.183 0.000 0.000 0 2 {?} {?} 0.58491999 0.00797000 0.00897000 {NP} 0.00000000 0 0 0 {?} {?} 1.58560002 0.04737000 0.05263000 {++} 0.00000000 0 0 0 {?} 1491 62.654 62.654 0.000 0 2 {?} {36.HD11} 0.58541000 0.00889000 0.01760000 {+P} 0.00000000 0 0 0 {?} {20.HB1} 1.43267000 0.04015000 0.06136000 {++} 0.00000000 0 0 0 {?} 1492 29.971 0.000 0.000 0 2 {?} {?} 0.58455998 0.00882000 0.01090000 {+P} 0.00000000 0 0 0 {?} {?} 1.25572002 0.03558000 0.04243000 {++} 0.00000000 0 0 0 {?} 1493 14.035 0.000 0.000 0 2 {?} {?} 0.58355999 0.01760000 0.01760000 {+P} 0.00000000 0 0 0 {?} {?} 0.98354000 0.02334000 0.02334000 {++} 0.00000000 0 0 0 {?} 1494 1345.866 0.000 0.000 0 2 {?} {?} 0.58556998 0.00957000 0.15842000 {PP} 0.00000000 0 0 0 {?} {?} 0.59074003 0.03238000 0.06734000 {++} 0.00000000 0 0 0 {?} 1495 34.422 0.000 0.000 0 2 {?} {?} 0.58544999 0.00687000 0.00917000 {NP} 0.00000000 0 0 0 {?} {?} 0.46667001 0.03315000 0.03987000 {++} 0.00000000 0 0 0 {?} 1496 18.084 0.000 0.000 0 2 {?} {?} 0.57567000 0.01760000 0.01760000 {+P} 0.00000000 0 0 0 {?} {?} 0.82984000 0.03538000 0.02831000 {++} 0.00000000 0 0 0 {?} 1497 12.071 0.000 0.000 0 2 {?} {?} 0.57753998 0.00859000 0.00089000 {NN} 0.00000000 0 0 0 {?} {?} 0.68787998 0.00228000 0.00228000 {+N} 0.00000000 0 0 0 {?} 1498 16.381 0.000 0.000 0 2 {?} {?} 0.55930001 0.01001000 0.00603000 {+N} 0.00000000 0 0 0 {?} {?} 0.82782000 0.02781000 0.02781000 {++} 0.00000000 0 0 0 {?} 1499 11.551 0.000 0.000 0 2 {?} {?} 0.55419999 0.00032000 0.00032000 {NN} 0.00000000 0 0 0 {?} {?} 0.96894002 0.00091000 0.00091000 {N+} 0.00000000 0 0 0 {?} 1500 13.858 0.000 0.000 0 2 {?} {?} 0.54882997 0.00784000 0.00784000 {N+} 0.00000000 0 0 0 {?} {?} 0.83230001 0.01114000 0.01114000 {++} 0.00000000 0 0 0 {?} 1501 13.460 0.000 0.000 0 2 {?} {?} 0.53694999 0.00618000 0.00618000 {NN} 0.00000000 0 0 0 {?} {?} 0.83236003 0.00935000 0.00935000 {N+} 0.00000000 0 0 0 {?} 1502 13.272 0.000 0.000 0 2 {?} {?} 0.51885998 0.00700000 0.00192000 {NN} 0.00000000 0 0 0 {?} {?} 0.68861997 0.01072000 0.01072000 {++} 0.00000000 0 0 0 {?} 1503 12.691 0.000 0.000 0 2 {?} {?} 0.51293999 0.00308000 0.00308000 {NN} 0.00000000 0 0 0 {?} {?} 0.51962000 0.00824000 0.00824000 {N+} 0.00000000 0 0 0 {?} 1504 12.111 0.000 0.000 0 2 {?} {?} 0.50805002 0.00272000 0.00272000 {NN} 0.00000000 0 0 0 {?} {?} 0.83111000 0.00446000 0.00446000 {N+} 0.00000000 0 0 0 {?} 1505 17.503 0.000 0.000 0 2 {?} {?} 0.50186998 0.01760000 0.02934000 {PP} 0.00000000 0 0 0 {?} {?} 0.59244001 0.03484000 0.02808000 {++} 0.00000000 0 0 0 {?} 1506 11.752 0.000 0.000 0 2 {?} {?} 0.48787001 0.00216000 0.00047000 {NN} 0.00000000 0 0 0 {?} {?} 0.97325999 0.00294000 0.00294000 {NN} 0.00000000 0 0 0 {?} 1507 30.401 0.000 0.000 0 2 {?} {?} 0.47024000 0.01405000 0.01831000 {P+} 0.00000000 0 0 0 {?} {?} 4.03445005 0.03510000 0.04250000 {++} 0.00000000 0 0 0 {?} 1508 13.898 0.000 0.000 0 2 {?} {?} 0.47106999 0.00766000 0.00354000 {NN} 0.00000000 0 0 0 {?} {?} 3.74186993 0.01488000 0.01488000 {++} 0.00000000 0 0 0 {?} 1509 32.195 0.000 0.000 0 2 {?} {?} 0.47068000 0.01422000 0.01854000 {++} 0.00000000 0 0 0 {?} {?} 1.77997005 0.04163000 0.05316000 {++} 0.00000000 0 0 0 {?} 1510 22.130 0.000 0.000 0 2 {?} {?} 0.47124001 0.01542000 0.01760000 {P+} 0.00000000 0 0 0 {?} {?} 1.68675995 0.04740000 0.04630000 {++} 0.00000000 0 0 0 {?} 1511 29.867 0.000 0.000 0 2 {?} {?} 0.47007999 0.01378000 0.01769000 {++} 0.00000000 0 0 0 {?} {?} 1.59110999 0.04436000 0.05213000 {++} 0.00000000 0 0 0 {?} 1512 12.096 0.000 0.000 0 2 {?} {?} 0.47009000 0.00624000 0.00109000 {NN} 0.00000000 0 0 0 {?} {?} 1.43620002 0.00442000 0.00442000 {N+} 0.00000000 0 0 0 {?} 1513 24.007 24.007 0.000 0 2 {?} {36.HD12} 0.46980000 0.01157000 0.01434000 {++} 0.00000000 0 0 0 {?} {29.HD11} 0.97707999 0.03726000 0.03851000 {++} 0.00000000 0 0 0 {?} 1514 13.171 0.000 0.000 0 2 {?} {?} 0.47205001 0.00659000 0.00659000 {NN} 0.00000000 0 0 0 {?} {?} 0.83613002 0.01668000 0.01668000 {++} 0.00000000 0 0 0 {?} 1515 878.625 0.000 0.000 0 2 {?} {?} 0.46985000 0.01473000 0.06227000 {P+} 0.00000000 0 0 0 {?} {?} 0.46849999 0.03541000 0.07111000 {++} 0.00000000 0 0 0 {?} 1516 25.352 25.352 0.000 0 2 {?} {36.HD12} 0.46641999 0.02122000 0.02225000 {++} 0.00000000 0 0 0 {?} {46.HB1} 3.01711011 0.05468000 0.05957000 {++} 0.00000000 0 0 0 {?} 1517 12.538 0.000 0.000 0 2 {?} {?} 0.46557000 0.00418000 0.00418000 {NN} 0.00000000 0 0 0 {?} {?} 0.86259001 0.01778000 0.01778000 {++} 0.00000000 0 0 0 {?} 1518 52.094 0.000 0.000 0 2 {?} {?} 0.46562999 0.02436000 0.05281000 {+P} 0.00000000 0 0 0 {?} {?} 0.59140998 0.03061000 0.04447000 {++} 0.00000000 0 0 0 {?} 1519 28.363 28.363 0.000 0 2 {?} {36.HD12} 0.46303999 0.01286000 0.01655000 {+P} 0.00000000 0 0 0 {?} {37.HA} 4.03351021 0.03664000 0.04280000 {++} 0.00000000 0 0 0 {?} 1520 13.102 13.102 0.000 0 2 {?} {36.HD12} 0.46182999 0.00656000 0.00229000 {NN} 0.00000000 0 0 0 {?} {33.HA} 3.73958993 0.01396000 0.01396000 {++} 0.00000000 0 0 0 {?} 1521 20.022 0.000 0.000 0 2 {?} {?} 0.46301001 0.00912000 0.00782000 {NP} 0.00000000 0 0 0 {?} {?} 1.67988002 0.03492000 0.03492000 {++} 0.00000000 0 0 0 {?} 1522 15.277 15.277 0.000 0 2 {?} {36.HD12} 0.46138000 0.01021000 0.00513000 {N+} 0.00000000 0 0 0 {?} {20.HB1} 1.43071997 0.01732000 0.01732000 {++} 0.00000000 0 0 0 {?} 1523 13.074 0.000 0.000 0 2 {?} {?} 0.46079999 0.00528000 0.00528000 {NN} 0.00000000 0 0 0 {?} {?} 0.83969003 0.02144000 0.02144000 {++} 0.00000000 0 0 0 {?} 1524 876.765 0.000 0.000 0 2 {?} {?} 0.46287000 0.01124000 0.15842000 {PP} 0.00000000 0 0 0 {?} {?} 0.46742001 0.03789000 0.07365000 {++} 0.00000000 0 0 0 {?} 1525 13.547 0.000 0.000 0 2 {?} {?} 0.39642999 0.00492000 0.00334000 {NN} 0.00000000 0 0 0 {?} {?} 0.40070000 0.01203000 0.01203000 {++} 0.00000000 0 0 0 {?} 1526 15.838 0.000 0.000 0 2 {?} {?} 0.37735999 0.01760000 0.01546000 {+P} 0.00000000 0 0 0 {?} {?} 0.46482000 0.03074000 0.02160000 {++} 0.00000000 0 0 0 {?} 1527 12.962 0.000 0.000 0 2 {?} {?} 0.20695999 0.00358000 0.00358000 {NN} 0.00000000 0 0 0 {?} {?} 0.21202999 0.00515000 0.00515000 {NN} 0.00000000 0 0 0 {?} 1528 72.422 0.000 0.000 0 2 {?} {?} 0.19621000 0.00660000 0.01760000 {P+} 0.00000000 0 0 0 {?} {?} 0.20356999 0.02343000 0.03104000 {++} 0.00000000 0 0 0 {?} 1529 45.424 0.000 0.000 0 2 {?} {?} 0.16765000 0.00576000 0.00861000 {N+} 0.00000000 0 0 0 {?} {?} 8.58728981 0.02745000 0.03843000 {++} 0.00000000 0 0 0 {?} 1530 25.415 0.000 0.000 0 2 {?} {?} 0.16642000 0.00452000 0.00497000 {NN} 0.00000000 0 0 0 {?} {?} 0.57415998 0.03022000 0.03204000 {++} 0.00000000 0 0 0 {?} 1531 5700.976 0.000 0.000 0 2 {?} {?} 0.16790999 0.00596000 0.02202000 {++} 0.00000000 0 0 0 {?} {?} 0.16909000 0.02500000 0.05080000 {++} 0.00000000 0 0 0 {?} 1532 643.072 0.000 0.000 0 2 {?} {?} 0.14785001 0.00718000 0.01760000 {+P} 0.00000000 0 0 0 {?} {?} 0.14902000 0.02478000 0.04790000 {++} 0.00000000 0 0 0 {?} 1533 17.001 0.000 0.000 0 2 {?} {?} 0.12031000 0.01922000 0.04107000 {P+} 0.00000000 0 0 0 {?} {?} 0.17569999 0.01925000 0.01925000 {++} 0.00000000 0 0 0 {?} 1534 39.943 0.000 0.000 0 2 {?} {?} 0.10474000 0.01143000 0.01760000 {+P} 0.00000000 0 0 0 {?} {?} 0.10411000 0.02991000 0.03960000 {++} 0.00000000 0 0 0 {?} 1535 13.395 0.000 0.000 0 2 {?} {?} 0.09635000 0.01380000 0.01380000 {+P} 0.00000000 0 0 0 {?} {?} 0.17197999 0.01395000 0.01395000 {++} 0.00000000 0 0 0 {?} 1536 15.152 0.000 0.000 0 2 {?} {?} 0.07382000 0.00791000 0.00791000 {N+} 0.00000000 0 0 0 {?} {?} 0.17106000 0.01471000 0.01471000 {++} 0.00000000 0 0 0 {?} 1537 12.287 0.000 0.000 0 2 {?} {?} 0.05637000 0.00189000 0.00189000 {NN} 0.00000000 0 0 0 {?} {?} 0.16660000 0.00496000 0.00496000 {N+} 0.00000000 0 0 0 {?} 1538 12.058 0.000 0.000 0 2 {?} {?} -0.35585999 0.00649000 0.00066000 {NN} 0.00000000 0 0 0 {?} {?} 7.22455978 0.00492000 0.00492000 {NN} 0.00000000 0 0 0 {?} 1539 33.198 0.000 0.000 0 2 {?} {?} -0.35710999 0.00957000 0.01760000 {P+} 0.00000000 0 0 0 {?} {?} 3.24199009 0.03646000 0.04525000 {++} 0.00000000 0 0 0 {?} 1540 14.687 0.000 0.000 0 2 {?} {?} -0.35745999 0.00722000 0.01760000 {PN} 0.00000000 0 0 0 {?} {?} 1.78516996 0.03766000 0.03766000 {++} 0.00000000 0 0 0 {?} 1541 40.530 0.000 0.000 0 2 {?} {?} -0.35749000 0.00836000 0.01760000 {P+} 0.00000000 0 0 0 {?} {?} 1.56719995 0.05273000 0.07335000 {++} 0.00000000 0 0 0 {?} 1542 37.431 0.000 0.000 0 2 {?} {?} -0.35732001 0.00870000 0.01760000 {P+} 0.00000000 0 0 0 {?} {?} 1.42439997 0.04010000 0.05167000 {++} 0.00000000 0 0 0 {?} 1543 67.240 0.000 0.000 0 2 {?} {?} -0.35736999 0.00849000 0.01823000 {P+} 0.00000000 0 0 0 {?} {?} 0.75133002 0.03619000 0.05556000 {++} 0.00000000 0 0 0 {?} 1544 38.483 0.000 0.000 0 2 {?} {?} -0.35734999 0.00752000 0.01760000 {P+} 0.00000000 0 0 0 {?} {?} 0.47005999 0.03058000 0.04029000 {++} 0.00000000 0 0 0 {?} 1545 12.832 12.832 0.000 0 2 {?} {32.HG21} -0.36860999 0.00825000 0.00217000 {NN} 0.00000000 0 0 0 {?} {46.HE1} 7.22122002 0.00774000 0.00774000 {+N} 0.00000000 0 0 0 {?} 1546 15.660 15.660 0.000 0 2 {?} {32.HG21} -0.36467001 0.00678000 0.00678000 {N+} 0.00000000 0 0 0 {?} {46.HZ} 6.97621012 0.03473000 0.02189000 {++} 0.00000000 0 0 0 {?} 1547 40.498 0.000 0.000 0 2 {?} {?} -0.36632001 0.01479000 0.01760000 {+P} 0.00000000 0 0 0 {?} {?} 3.24075007 0.03738000 0.04982000 {++} 0.00000000 0 0 0 {?} 1548 16.708 16.708 0.000 0 2 {?} {32.HG12} -0.36601001 0.01081000 0.00681000 {NP} 0.00000000 0 0 0 {?} {36.HB1} 1.77988005 0.03002000 0.03002000 {++} 0.00000000 0 0 0 {?} 1549 54.385 54.385 0.000 0 2 {?} {?} -0.36647999 0.01441000 0.01760000 {+P} 0.00000000 0 0 0 {?} {?} 1.56596994 0.04465000 0.06671000 {++} 0.00000000 0 0 0 {?} 1550 40.062 40.062 0.000 0 2 {?} {32.HG12} -0.36638001 0.01760000 0.01760000 {+P} 0.00000000 0 0 0 {?} {20.HB1} 1.42472994 0.03718000 0.04919000 {++} 0.00000000 0 0 0 {?} 1551 27.723 27.723 0.000 0 2 {?} {32.HG12} -0.36542001 0.02135000 0.02616000 {++} 0.00000000 0 0 0 {?} {21.HG11} 0.97092003 0.03258000 0.03722000 {++} 0.00000000 0 0 0 {?} 1552 74.504 0.000 0.000 0 2 {?} {?} -0.36627001 0.01760000 0.01760000 {+P} 0.00000000 0 0 0 {?} {?} 0.74984998 0.03750000 0.05645000 {++} 0.00000000 0 0 0 {?} 1553 50.512 50.512 0.000 0 2 {?} {32.HG12} -0.36649001 0.01539000 0.01760000 {+P} 0.00000000 0 0 0 {?} {36.HD12} 0.46904999 0.03420000 0.05068000 {++} 0.00000000 0 0 0 {?} stop_ ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 3 H 1 H . 10000 . . . 16819 1 stop_ save_