data_17495 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17495 _Entry.Title ; Trn- peptide of the two-component bacteriocin Thuricin CD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-02-27 _Entry.Accession_date 2011-02-27 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Clarissa Sit . S. . 17495 2 Ryan McKay . T. . 17495 3 Colin Hill . . . 17495 4 R. Ross . P. . 17495 5 John Vederas . C. . 17495 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' . 17495 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID crosslinked . 17495 'helical loops' . 17495 'post-translationally modified' . 17495 'sulfur to -carbon thioether bridges' . 17495 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17495 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 70 17495 '15N chemical shifts' 29 17495 '1H chemical shifts' 156 17495 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 2 . . 2011-05-19 2011-02-27 update BMRB 'update entry citation' 17495 1 . . 2011-05-05 2011-02-27 original author 'original release' 17495 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17492 'Thuricin CD' 17495 PDB 2LA0 'BMRB Entry Tracking System' 17495 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17495 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21526839 _Citation.Full_citation . _Citation.Title 'The 3D Structure of Thuricin CD, a Two-Component Bacteriocin with Cysteine Sulfur to -Carbon Cross-links.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full 'Journal of the American Chemical Society' _Citation.Journal_volume 133 _Citation.Journal_issue 20 _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 7680 _Citation.Page_last 7683 _Citation.Year 2011 _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 Clarissa Sit . S. . 17495 1 2 Ryan McKay . T. . 17495 1 3 Colin Hill . . . 17495 1 4 'R. Paul' Ross . . . 17495 1 5 John Vederas . C. . 17495 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17495 _Assembly.ID 1 _Assembly.Name 'Thuricin CD' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 Thuricin 1 $Thuricin A . yes native no no . . . 17495 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 covalent single . 1 . 1 CYS 5 5 SG . 1 . 1 DTY 28 28 CA . . . . . . . . . . 17495 1 2 covalent single . 1 . 1 CYS 9 9 SG . 1 . 1 ALA 25 25 CA . . . . . . . . . . 17495 1 3 covalent single . 1 . 1 CYS 13 13 SG . 1 . 1 THR 21 21 CA . . . . . . . . . . 17495 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Thuricin _Entity.Sf_category entity _Entity.Sf_framecode Thuricin _Entity.Entry_ID 17495 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Thuricin _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 ; GWVACVGACGTVCLASGGVG TEFAAASXFL ; _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 yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 30 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2868.282 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 2LA0 . "Trn- Peptide Of The Two-Component Bacteriocin Thuricin Cd" . . . . . 100.00 30 100.00 100.00 8.48e-09 . . . . 17495 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 . GLY . 17495 1 2 . TRP . 17495 1 3 . VAL . 17495 1 4 . ALA . 17495 1 5 . CYS . 17495 1 6 . VAL . 17495 1 7 . GLY . 17495 1 8 . ALA . 17495 1 9 . CYS . 17495 1 10 . GLY . 17495 1 11 . THR . 17495 1 12 . VAL . 17495 1 13 . CYS . 17495 1 14 . LEU . 17495 1 15 . ALA . 17495 1 16 . SER . 17495 1 17 . GLY . 17495 1 18 . GLY . 17495 1 19 . VAL . 17495 1 20 . GLY . 17495 1 21 . THR . 17495 1 22 . GLU . 17495 1 23 . PHE . 17495 1 24 . ALA . 17495 1 25 . ALA . 17495 1 26 . ALA . 17495 1 27 . SER . 17495 1 28 . DTY . 17495 1 29 . PHE . 17495 1 30 . LEU . 17495 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 . GLY 1 1 17495 1 . TRP 2 2 17495 1 . VAL 3 3 17495 1 . ALA 4 4 17495 1 . CYS 5 5 17495 1 . VAL 6 6 17495 1 . GLY 7 7 17495 1 . ALA 8 8 17495 1 . CYS 9 9 17495 1 . GLY 10 10 17495 1 . THR 11 11 17495 1 . VAL 12 12 17495 1 . CYS 13 13 17495 1 . LEU 14 14 17495 1 . ALA 15 15 17495 1 . SER 16 16 17495 1 . GLY 17 17 17495 1 . GLY 18 18 17495 1 . VAL 19 19 17495 1 . GLY 20 20 17495 1 . THR 21 21 17495 1 . GLU 22 22 17495 1 . PHE 23 23 17495 1 . ALA 24 24 17495 1 . ALA 25 25 17495 1 . ALA 26 26 17495 1 . SER 27 27 17495 1 . DTY 28 28 17495 1 . PHE 29 29 17495 1 . LEU 30 30 17495 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 17495 _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 $Thuricin . 1428 organism . 'Bacillus thuringiensis' B.thuringiensis . . Bacteria . Bacillus thuringiensis 'DPC 6431' . . . . . . . . . . . . . . . . . . . . 17495 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 17495 _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 $Thuricin . 'purified from the natural source' 'Bacillus thuringiensis' . . . Bacillus thuringiensis 'DPC 6431' . . . . . . . . . . . . . . . na . . . . . . 17495 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_DTY _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DTY _Chem_comp.Entry_ID 17495 _Chem_comp.ID DTY _Chem_comp.Provenance . _Chem_comp.Name D-TYROSINE _Chem_comp.Type 'D-peptide linking' _Chem_comp.BMRB_code . _Chem_comp.PDB_code DTY _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2009-01-07 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code Y _Chem_comp.Three_letter_code DTY _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic yes _Chem_comp.Formula 'C9 H11 N O3' _Chem_comp.Formula_weight 181.189 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag yes _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1UNO _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Mar 9 13:57:42 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1cc(ccc1CC(C(=O)O)N)O SMILES 'OpenEye OEToolkits' 1.5.0 17495 DTY c1cc(ccc1C[C@H](C(=O)O)N)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17495 DTY InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1/f/h12H InChI InChI 1.02b 17495 DTY N[C@H](Cc1ccc(O)cc1)C(O)=O SMILES_CANONICAL CACTVS 3.341 17495 DTY N[CH](Cc1ccc(O)cc1)C(O)=O SMILES CACTVS 3.341 17495 DTY O=C(O)C(N)Cc1ccc(O)cc1 SMILES ACDLabs 10.04 17495 DTY OUYCCCASQSFEME-SQFIXDETDH InChIKey InChI 1.02b 17495 DTY stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17495 DTY D-tyrosine 'SYSTEMATIC NAME' ACDLabs 10.04 17495 DTY stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N . N . . N . . N 0 . . . . no no . . . . 15.002 . 26.572 . 23.059 . -0.296 -1.610 1.590 1 . 17495 DTY CA . CA . . C . . R 0 . . . . no no . . . . 15.181 . 28.008 . 23.305 . 0.975 -1.255 1.008 2 . 17495 DTY C . C . . C . . N 0 . . . . no no . . . . 14.189 . 28.380 . 24.410 . 1.898 -2.463 0.937 3 . 17495 DTY O . O . . O . . N 0 . . . . no no . . . . 14.474 . 28.388 . 25.601 . 1.493 -3.601 0.722 4 . 17495 DTY CB . CB . . C . . N 0 . . . . no no . . . . 16.589 . 28.351 . 23.732 . 0.799 -0.646 -0.389 5 . 17495 DTY CG . CG . . C . . N 0 . . . . yes no . . . . 16.799 . 29.859 . 23.675 . 1.976 0.199 -0.815 6 . 17495 DTY CD1 . CD1 . . C . . N 0 . . . . yes no . . . . 16.896 . 30.486 . 22.435 . 1.983 1.552 -0.517 7 . 17495 DTY CD2 . CD2 . . C . . N 0 . . . . yes no . . . . 16.885 . 30.615 . 24.838 . 3.026 -0.394 -1.496 8 . 17495 DTY CE1 . CE1 . . C . . N 0 . . . . yes no . . . . 17.090 . 31.846 . 22.315 . 3.070 2.333 -0.911 9 . 17495 DTY CE2 . CE2 . . C . . N 0 . . . . yes no . . . . 17.074 . 31.987 . 24.703 . 4.113 0.387 -1.891 10 . 17495 DTY CZ . CZ . . C . . N 0 . . . . yes no . . . . 17.181 . 32.596 . 23.478 . 4.135 1.750 -1.598 11 . 17495 DTY OH . OH . . O . . N 0 . . . . no no . . . . 17.368 . 33.952 . 23.346 . 5.194 2.513 -1.984 12 . 17495 DTY OXT . OXT . . O . . N 0 . . . . no yes . . . . . . . . . . 3.211 -2.187 1.120 13 . 17495 DTY H . H . . H . . N 0 . . . . no no . . . . 15.663 . 26.324 . 22.322 . -1.096 -1.030 1.404 14 . 17495 DTY H2 . H2 . . H . . N 0 . . . . no yes . . . . 14.039 . 26.314 . 22.842 . -0.321 -2.297 2.324 15 . 17495 DTY HA . HA . . H . . N 0 . . . . no no . . . . 14.999 . 28.579 . 22.364 . 1.437 -0.541 1.700 16 . 17495 DTY HB2 . HB2 . . H . . N 0 . . . . no no . . . . 16.834 . 27.932 . 24.736 . 0.660 -1.437 -1.137 17 . 17495 DTY HB3 . HB3 . . H . . N 0 . . . . no no . . . . 17.352 . 27.800 . 23.134 . -0.121 -0.047 -0.427 18 . 17495 DTY HD1 . HD1 . . H . . N 0 . . . . no no . . . . 16.816 . 29.883 . 21.514 . 1.158 2.015 0.018 19 . 17495 DTY HD2 . HD2 . . H . . N 0 . . . . no no . . . . 16.806 . 30.143 . 25.831 . 3.018 -1.456 -1.729 20 . 17495 DTY HE1 . HE1 . . H . . N 0 . . . . no no . . . . 17.169 . 32.318 . 21.321 . 3.080 3.395 -0.680 21 . 17495 DTY HE2 . HE2 . . H . . N 0 . . . . no no . . . . 17.141 . 32.618 . 25.604 . 4.939 -0.073 -2.426 22 . 17495 DTY HH . HH . . H . . N 0 . . . . no no . . . . 17.430 . 34.465 . 24.142 . 5.722 2.770 -1.211 23 . 17495 DTY HXT . HXT . . H . . N 0 . . . . no yes . . . . -0.615 . 0.230 . 0.685 . 3.807 -2.964 1.068 24 . 17495 DTY stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 17495 DTY 2 . SING N H no N 2 . 17495 DTY 3 . SING N H2 no N 3 . 17495 DTY 4 . SING CA C no N 4 . 17495 DTY 5 . SING CA CB no N 5 . 17495 DTY 6 . SING CA HA no N 6 . 17495 DTY 7 . DOUB C O no N 7 . 17495 DTY 8 . SING C OXT no N 8 . 17495 DTY 9 . SING CB CG no N 9 . 17495 DTY 10 . SING CB HB2 no N 10 . 17495 DTY 11 . SING CB HB3 no N 11 . 17495 DTY 12 . DOUB CG CD1 yes N 12 . 17495 DTY 13 . SING CG CD2 yes N 13 . 17495 DTY 14 . SING CD1 CE1 yes N 14 . 17495 DTY 15 . SING CD1 HD1 no N 15 . 17495 DTY 16 . DOUB CD2 CE2 yes N 16 . 17495 DTY 17 . SING CD2 HD2 no N 17 . 17495 DTY 18 . DOUB CE1 CZ yes N 18 . 17495 DTY 19 . SING CE1 HE1 no N 19 . 17495 DTY 20 . SING CE2 CZ yes N 20 . 17495 DTY 21 . SING CE2 HE2 no N 21 . 17495 DTY 22 . SING CZ OH no N 22 . 17495 DTY 23 . SING OH HH no N 23 . 17495 DTY 24 . SING OXT HXT no N 24 . 17495 DTY stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Trnb _Sample.Sf_category sample _Sample.Sf_framecode Trnb _Sample.Entry_ID 17495 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system CD3OH _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 Trnb '[U-99% 13C; U-99% 15N]' . . 1 $Thuricin . . 0.5 . . mM . . . . 17495 1 2 DSS 'natural abundance' . . . . . . 100 . . uM . . . . 17495 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 17495 _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 pH 7 . pH 17495 1 pressure 1 . atm 17495 1 temperature 298 . K 17495 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17495 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17495 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17495 1 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 17495 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 17495 _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 Varian INOVA . 600 . . . 17495 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 17495 _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 $Trnb isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17495 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $Trnb isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17495 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $Trnb isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17495 1 4 '3D HNHA' no . . . . . . . . . . 1 $Trnb isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17495 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $Trnb isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17495 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $Trnb isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17495 1 7 '3D HNCO' no . . . . . . . . . . 1 $Trnb isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17495 1 8 '3D HNCACB' no . . . . . . . . . . 1 $Trnb isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17495 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $Trnb isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17495 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $Trnb isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17495 1 11 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $Trnb isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17495 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 17495 _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 C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 17495 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 17495 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 17495 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17495 _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 1 '2D 1H-15N HSQC' . . . 17495 1 2 '2D 1H-13C HSQC' . . . 17495 1 3 '2D 1H-13C HSQC aliphatic' . . . 17495 1 5 '3D CBCA(CO)NH' . . . 17495 1 6 '3D HCCH-TOCSY' . . . 17495 1 7 '3D HNCO' . . . 17495 1 8 '3D HNCACB' . . . 17495 1 11 '3D 1H-15N TOCSY' . . . 17495 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 1 1 GLY HA2 H 1 3.619 0.03 . 2 . . . A 1 GLY HA2 . 17495 1 2 . 1 1 1 1 GLY HA3 H 1 3.538 0.03 . 2 . . . A 1 GLY HA3 . 17495 1 3 . 1 1 1 1 GLY CA C 13 43.163 0.3 . 1 . . . A 1 GLY CA . 17495 1 4 . 1 1 2 2 TRP H H 1 8.542 0.03 . 1 . . . A 2 TRP H . 17495 1 5 . 1 1 2 2 TRP HA H 1 4.392 0.03 . 1 . . . A 2 TRP HA . 17495 1 6 . 1 1 2 2 TRP HB2 H 1 3.320 0.03 . 2 . . . A 2 TRP HB2 . 17495 1 7 . 1 1 2 2 TRP HB3 H 1 3.258 0.03 . 2 . . . A 2 TRP HB3 . 17495 1 8 . 1 1 2 2 TRP CA C 13 60.005 0.3 . 1 . . . A 2 TRP CA . 17495 1 9 . 1 1 2 2 TRP CB C 13 29.583 0.3 . 1 . . . A 2 TRP CB . 17495 1 10 . 1 1 2 2 TRP N N 15 120.682 0.3 . 1 . . . A 2 TRP N . 17495 1 11 . 1 1 3 3 VAL H H 1 7.697 0.03 . 1 . . . A 3 VAL H . 17495 1 12 . 1 1 3 3 VAL HA H 1 3.337 0.03 . 1 . . . A 3 VAL HA . 17495 1 13 . 1 1 3 3 VAL HB H 1 1.748 0.03 . 1 . . . A 3 VAL HB . 17495 1 14 . 1 1 3 3 VAL HG11 H 1 0.713 0.03 . 1 . . . A 3 VAL HG11 . 17495 1 15 . 1 1 3 3 VAL HG12 H 1 0.713 0.03 . 1 . . . A 3 VAL HG12 . 17495 1 16 . 1 1 3 3 VAL HG13 H 1 0.713 0.03 . 1 . . . A 3 VAL HG13 . 17495 1 17 . 1 1 3 3 VAL HG21 H 1 0.449 0.03 . 1 . . . A 3 VAL HG21 . 17495 1 18 . 1 1 3 3 VAL HG22 H 1 0.449 0.03 . 1 . . . A 3 VAL HG22 . 17495 1 19 . 1 1 3 3 VAL HG23 H 1 0.449 0.03 . 1 . . . A 3 VAL HG23 . 17495 1 20 . 1 1 3 3 VAL CA C 13 65.541 0.3 . 1 . . . A 3 VAL CA . 17495 1 21 . 1 1 3 3 VAL CB C 13 31.402 0.3 . 1 . . . A 3 VAL CB . 17495 1 22 . 1 1 3 3 VAL CG1 C 13 20.591 0.3 . 1 . . . A 3 VAL CG1 . 17495 1 23 . 1 1 3 3 VAL CG2 C 13 20.993 0.3 . 1 . . . A 3 VAL CG2 . 17495 1 24 . 1 1 3 3 VAL N N 15 119.566 0.3 . 1 . . . A 3 VAL N . 17495 1 25 . 1 1 4 4 ALA H H 1 7.331 0.03 . 1 . . . A 4 ALA H . 17495 1 26 . 1 1 4 4 ALA HA H 1 4.032 0.03 . 1 . . . A 4 ALA HA . 17495 1 27 . 1 1 4 4 ALA HB1 H 1 1.306 0.03 . 1 . . . A 4 ALA HB1 . 17495 1 28 . 1 1 4 4 ALA HB2 H 1 1.306 0.03 . 1 . . . A 4 ALA HB2 . 17495 1 29 . 1 1 4 4 ALA HB3 H 1 1.306 0.03 . 1 . . . A 4 ALA HB3 . 17495 1 30 . 1 1 4 4 ALA CA C 13 54.107 0.3 . 1 . . . A 4 ALA CA . 17495 1 31 . 1 1 4 4 ALA CB C 13 17.965 0.3 . 1 . . . A 4 ALA CB . 17495 1 32 . 1 1 4 4 ALA N N 15 120.567 0.3 . 1 . . . A 4 ALA N . 17495 1 33 . 1 1 5 5 CYS H H 1 7.716 0.03 . 1 . . . A 5 CYS H . 17495 1 34 . 1 1 5 5 CYS HA H 1 4.244 0.03 . 1 . . . A 5 CYS HA . 17495 1 35 . 1 1 5 5 CYS HB2 H 1 3.328 0.03 . 2 . . . A 5 CYS HB2 . 17495 1 36 . 1 1 5 5 CYS HB3 H 1 2.945 0.03 . 2 . . . A 5 CYS HB3 . 17495 1 37 . 1 1 5 5 CYS CA C 13 60.605 0.3 . 1 . . . A 5 CYS CA . 17495 1 38 . 1 1 5 5 CYS CB C 13 30.513 0.3 . 1 . . . A 5 CYS CB . 17495 1 39 . 1 1 5 5 CYS N N 15 114.687 0.3 . 1 . . . A 5 CYS N . 17495 1 40 . 1 1 6 6 VAL H H 1 8.175 0.03 . 1 . . . A 6 VAL H . 17495 1 41 . 1 1 6 6 VAL HA H 1 3.542 0.03 . 1 . . . A 6 VAL HA . 17495 1 42 . 1 1 6 6 VAL HB H 1 2.033 0.03 . 1 . . . A 6 VAL HB . 17495 1 43 . 1 1 6 6 VAL HG11 H 1 0.970 0.03 . 1 . . . A 6 VAL HG11 . 17495 1 44 . 1 1 6 6 VAL HG12 H 1 0.970 0.03 . 1 . . . A 6 VAL HG12 . 17495 1 45 . 1 1 6 6 VAL HG13 H 1 0.970 0.03 . 1 . . . A 6 VAL HG13 . 17495 1 46 . 1 1 6 6 VAL HG21 H 1 0.886 0.03 . 1 . . . A 6 VAL HG21 . 17495 1 47 . 1 1 6 6 VAL HG22 H 1 0.886 0.03 . 1 . . . A 6 VAL HG22 . 17495 1 48 . 1 1 6 6 VAL HG23 H 1 0.886 0.03 . 1 . . . A 6 VAL HG23 . 17495 1 49 . 1 1 6 6 VAL CA C 13 66.962 0.3 . 1 . . . A 6 VAL CA . 17495 1 50 . 1 1 6 6 VAL CB C 13 31.382 0.3 . 1 . . . A 6 VAL CB . 17495 1 51 . 1 1 6 6 VAL CG1 C 13 22.194 0.3 . 1 . . . A 6 VAL CG1 . 17495 1 52 . 1 1 6 6 VAL CG2 C 13 20.683 0.3 . 1 . . . A 6 VAL CG2 . 17495 1 53 . 1 1 6 6 VAL N N 15 118.323 0.3 . 1 . . . A 6 VAL N . 17495 1 54 . 1 1 7 7 GLY H H 1 7.947 0.03 . 1 . . . A 7 GLY H . 17495 1 55 . 1 1 7 7 GLY HA2 H 1 3.755 0.03 . 1 . . . A 7 GLY HA2 . 17495 1 56 . 1 1 7 7 GLY HA3 H 1 3.755 0.03 . 1 . . . A 7 GLY HA3 . 17495 1 57 . 1 1 7 7 GLY CA C 13 46.828 0.3 . 1 . . . A 7 GLY CA . 17495 1 58 . 1 1 7 7 GLY N N 15 105.401 0.3 . 1 . . . A 7 GLY N . 17495 1 59 . 1 1 8 8 ALA H H 1 8.141 0.03 . 1 . . . A 8 ALA H . 17495 1 60 . 1 1 8 8 ALA HA H 1 4.065 0.03 . 1 . . . A 8 ALA HA . 17495 1 61 . 1 1 8 8 ALA HB1 H 1 1.468 0.03 . 1 . . . A 8 ALA HB1 . 17495 1 62 . 1 1 8 8 ALA HB2 H 1 1.468 0.03 . 1 . . . A 8 ALA HB2 . 17495 1 63 . 1 1 8 8 ALA HB3 H 1 1.468 0.03 . 1 . . . A 8 ALA HB3 . 17495 1 64 . 1 1 8 8 ALA CA C 13 55.488 0.3 . 1 . . . A 8 ALA CA . 17495 1 65 . 1 1 8 8 ALA CB C 13 17.810 0.3 . 1 . . . A 8 ALA CB . 17495 1 66 . 1 1 8 8 ALA N N 15 125.672 0.3 . 1 . . . A 8 ALA N . 17495 1 67 . 1 1 9 9 CYS H H 1 8.948 0.03 . 1 . . . A 9 CYS H . 17495 1 68 . 1 1 9 9 CYS HA H 1 3.858 0.03 . 1 . . . A 9 CYS HA . 17495 1 69 . 1 1 9 9 CYS HB2 H 1 3.157 0.03 . 2 . . . A 9 CYS HB2 . 17495 1 70 . 1 1 9 9 CYS HB3 H 1 2.911 0.03 . 2 . . . A 9 CYS HB3 . 17495 1 71 . 1 1 9 9 CYS CA C 13 60.627 0.3 . 1 . . . A 9 CYS CA . 17495 1 72 . 1 1 9 9 CYS CB C 13 30.261 0.3 . 1 . . . A 9 CYS CB . 17495 1 73 . 1 1 9 9 CYS N N 15 114.698 0.3 . 1 . . . A 9 CYS N . 17495 1 74 . 1 1 10 10 GLY H H 1 8.535 0.03 . 1 . . . A 10 GLY H . 17495 1 75 . 1 1 10 10 GLY HA2 H 1 3.847 0.03 . 2 . . . A 10 GLY HA2 . 17495 1 76 . 1 1 10 10 GLY HA3 H 1 3.573 0.03 . 2 . . . A 10 GLY HA3 . 17495 1 77 . 1 1 10 10 GLY CA C 13 47.854 0.3 . 1 . . . A 10 GLY CA . 17495 1 78 . 1 1 10 10 GLY N N 15 104.531 0.3 . 1 . . . A 10 GLY N . 17495 1 79 . 1 1 11 11 THR H H 1 7.879 0.03 . 1 . . . A 11 THR H . 17495 1 80 . 1 1 11 11 THR HA H 1 3.769 0.03 . 1 . . . A 11 THR HA . 17495 1 81 . 1 1 11 11 THR HB H 1 4.101 0.03 . 1 . . . A 11 THR HB . 17495 1 82 . 1 1 11 11 THR HG21 H 1 1.173 0.03 . 1 . . . A 11 THR HG21 . 17495 1 83 . 1 1 11 11 THR HG22 H 1 1.173 0.03 . 1 . . . A 11 THR HG22 . 17495 1 84 . 1 1 11 11 THR HG23 H 1 1.173 0.03 . 1 . . . A 11 THR HG23 . 17495 1 85 . 1 1 11 11 THR CA C 13 67.485 0.3 . 1 . . . A 11 THR CA . 17495 1 86 . 1 1 11 11 THR CB C 13 68.686 0.3 . 1 . . . A 11 THR CB . 17495 1 87 . 1 1 11 11 THR CG2 C 13 20.962 0.3 . 1 . . . A 11 THR CG2 . 17495 1 88 . 1 1 11 11 THR N N 15 114.892 0.3 . 1 . . . A 11 THR N . 17495 1 89 . 1 1 12 12 VAL H H 1 7.510 0.03 . 1 . . . A 12 VAL H . 17495 1 90 . 1 1 12 12 VAL HA H 1 3.601 0.03 . 1 . . . A 12 VAL HA . 17495 1 91 . 1 1 12 12 VAL HB H 1 1.954 0.03 . 1 . . . A 12 VAL HB . 17495 1 92 . 1 1 12 12 VAL HG11 H 1 1.047 0.03 . 1 . . . A 12 VAL HG11 . 17495 1 93 . 1 1 12 12 VAL HG12 H 1 1.047 0.03 . 1 . . . A 12 VAL HG12 . 17495 1 94 . 1 1 12 12 VAL HG13 H 1 1.047 0.03 . 1 . . . A 12 VAL HG13 . 17495 1 95 . 1 1 12 12 VAL HG21 H 1 0.913 0.03 . 1 . . . A 12 VAL HG21 . 17495 1 96 . 1 1 12 12 VAL HG22 H 1 0.913 0.03 . 1 . . . A 12 VAL HG22 . 17495 1 97 . 1 1 12 12 VAL HG23 H 1 0.913 0.03 . 1 . . . A 12 VAL HG23 . 17495 1 98 . 1 1 12 12 VAL CA C 13 66.548 0.3 . 1 . . . A 12 VAL CA . 17495 1 99 . 1 1 12 12 VAL CB C 13 31.256 0.3 . 1 . . . A 12 VAL CB . 17495 1 100 . 1 1 12 12 VAL CG1 C 13 22.572 0.3 . 1 . . . A 12 VAL CG1 . 17495 1 101 . 1 1 12 12 VAL CG2 C 13 21.574 0.3 . 1 . . . A 12 VAL CG2 . 17495 1 102 . 1 1 12 12 VAL N N 15 119.926 0.3 . 1 . . . A 12 VAL N . 17495 1 103 . 1 1 13 13 CYS H H 1 9.013 0.03 . 1 . . . A 13 CYS H . 17495 1 104 . 1 1 13 13 CYS HA H 1 3.657 0.03 . 1 . . . A 13 CYS HA . 17495 1 105 . 1 1 13 13 CYS HB2 H 1 4.375 0.03 . 2 . . . A 13 CYS HB2 . 17495 1 106 . 1 1 13 13 CYS HB3 H 1 2.939 0.03 . 2 . . . A 13 CYS HB3 . 17495 1 107 . 1 1 13 13 CYS CA C 13 63.570 0.3 . 1 . . . A 13 CYS CA . 17495 1 108 . 1 1 13 13 CYS CB C 13 29.537 0.3 . 1 . . . A 13 CYS CB . 17495 1 109 . 1 1 13 13 CYS N N 15 120.346 0.3 . 1 . . . A 13 CYS N . 17495 1 110 . 1 1 14 14 LEU H H 1 8.158 0.03 . 1 . . . A 14 LEU H . 17495 1 111 . 1 1 14 14 LEU HA H 1 4.016 0.03 . 1 . . . A 14 LEU HA . 17495 1 112 . 1 1 14 14 LEU HB2 H 1 1.864 0.03 . 2 . . . A 14 LEU HB2 . 17495 1 113 . 1 1 14 14 LEU HB3 H 1 1.594 0.03 . 2 . . . A 14 LEU HB3 . 17495 1 114 . 1 1 14 14 LEU HG H 1 1.724 0.03 . 1 . . . A 14 LEU HG . 17495 1 115 . 1 1 14 14 LEU HD11 H 1 0.844 0.03 . 1 . . . A 14 LEU HD11 . 17495 1 116 . 1 1 14 14 LEU HD12 H 1 0.844 0.03 . 1 . . . A 14 LEU HD12 . 17495 1 117 . 1 1 14 14 LEU HD13 H 1 0.844 0.03 . 1 . . . A 14 LEU HD13 . 17495 1 118 . 1 1 14 14 LEU HD21 H 1 0.854 0.03 . 1 . . . A 14 LEU HD21 . 17495 1 119 . 1 1 14 14 LEU HD22 H 1 0.854 0.03 . 1 . . . A 14 LEU HD22 . 17495 1 120 . 1 1 14 14 LEU HD23 H 1 0.854 0.03 . 1 . . . A 14 LEU HD23 . 17495 1 121 . 1 1 14 14 LEU CA C 13 58.456 0.3 . 1 . . . A 14 LEU CA . 17495 1 122 . 1 1 14 14 LEU CB C 13 41.746 0.3 . 1 . . . A 14 LEU CB . 17495 1 123 . 1 1 14 14 LEU CG C 13 27.124 0.3 . 1 . . . A 14 LEU CG . 17495 1 124 . 1 1 14 14 LEU CD1 C 13 23.545 0.3 . 1 . . . A 14 LEU CD1 . 17495 1 125 . 1 1 14 14 LEU CD2 C 13 24.054 0.3 . 1 . . . A 14 LEU CD2 . 17495 1 126 . 1 1 14 14 LEU N N 15 118.839 0.3 . 1 . . . A 14 LEU N . 17495 1 127 . 1 1 15 15 ALA H H 1 8.165 0.03 . 1 . . . A 15 ALA H . 17495 1 128 . 1 1 15 15 ALA HA H 1 4.084 0.03 . 1 . . . A 15 ALA HA . 17495 1 129 . 1 1 15 15 ALA HB1 H 1 1.501 0.03 . 1 . . . A 15 ALA HB1 . 17495 1 130 . 1 1 15 15 ALA HB2 H 1 1.501 0.03 . 1 . . . A 15 ALA HB2 . 17495 1 131 . 1 1 15 15 ALA HB3 H 1 1.501 0.03 . 1 . . . A 15 ALA HB3 . 17495 1 132 . 1 1 15 15 ALA CA C 13 54.860 0.3 . 1 . . . A 15 ALA CA . 17495 1 133 . 1 1 15 15 ALA CB C 13 17.941 0.3 . 1 . . . A 15 ALA CB . 17495 1 134 . 1 1 15 15 ALA N N 15 120.708 0.3 . 1 . . . A 15 ALA N . 17495 1 135 . 1 1 16 16 SER H H 1 7.538 0.03 . 1 . . . A 16 SER H . 17495 1 136 . 1 1 16 16 SER HA H 1 4.560 0.03 . 1 . . . A 16 SER HA . 17495 1 137 . 1 1 16 16 SER HB2 H 1 4.318 0.03 . 2 . . . A 16 SER HB2 . 17495 1 138 . 1 1 16 16 SER HB3 H 1 3.771 0.03 . 2 . . . A 16 SER HB3 . 17495 1 139 . 1 1 16 16 SER CA C 13 57.108 0.3 . 1 . . . A 16 SER CA . 17495 1 140 . 1 1 16 16 SER CB C 13 64.148 0.3 . 1 . . . A 16 SER CB . 17495 1 141 . 1 1 16 16 SER N N 15 105.935 0.3 . 1 . . . A 16 SER N . 17495 1 142 . 1 1 17 17 GLY H H 1 8.101 0.03 . 1 . . . A 17 GLY H . 17495 1 143 . 1 1 17 17 GLY HA2 H 1 3.996 0.03 . 2 . . . A 17 GLY HA2 . 17495 1 144 . 1 1 17 17 GLY HA3 H 1 3.839 0.03 . 2 . . . A 17 GLY HA3 . 17495 1 145 . 1 1 17 17 GLY CA C 13 46.586 0.3 . 1 . . . A 17 GLY CA . 17495 1 146 . 1 1 17 17 GLY N N 15 109.603 0.3 . 1 . . . A 17 GLY N . 17495 1 147 . 1 1 18 18 GLY H H 1 8.483 0.03 . 1 . . . A 18 GLY H . 17495 1 148 . 1 1 18 18 GLY HA2 H 1 4.408 0.03 . 2 . . . A 18 GLY HA2 . 17495 1 149 . 1 1 18 18 GLY HA3 H 1 3.382 0.03 . 2 . . . A 18 GLY HA3 . 17495 1 150 . 1 1 18 18 GLY CA C 13 44.284 0.3 . 1 . . . A 18 GLY CA . 17495 1 151 . 1 1 18 18 GLY N N 15 103.443 0.3 . 1 . . . A 18 GLY N . 17495 1 152 . 1 1 19 19 VAL H H 1 7.596 0.03 . 1 . . . A 19 VAL H . 17495 1 153 . 1 1 19 19 VAL HA H 1 3.811 0.03 . 1 . . . A 19 VAL HA . 17495 1 154 . 1 1 19 19 VAL HB H 1 2.164 0.03 . 1 . . . A 19 VAL HB . 17495 1 155 . 1 1 19 19 VAL HG11 H 1 1.128 0.03 . 1 . . . A 19 VAL HG11 . 17495 1 156 . 1 1 19 19 VAL HG12 H 1 1.128 0.03 . 1 . . . A 19 VAL HG12 . 17495 1 157 . 1 1 19 19 VAL HG13 H 1 1.128 0.03 . 1 . . . A 19 VAL HG13 . 17495 1 158 . 1 1 19 19 VAL HG21 H 1 0.992 0.03 . 1 . . . A 19 VAL HG21 . 17495 1 159 . 1 1 19 19 VAL HG22 H 1 0.992 0.03 . 1 . . . A 19 VAL HG22 . 17495 1 160 . 1 1 19 19 VAL HG23 H 1 0.992 0.03 . 1 . . . A 19 VAL HG23 . 17495 1 161 . 1 1 19 19 VAL CA C 13 65.723 0.3 . 1 . . . A 19 VAL CA . 17495 1 162 . 1 1 19 19 VAL CB C 13 31.970 0.3 . 1 . . . A 19 VAL CB . 17495 1 163 . 1 1 19 19 VAL CG1 C 13 21.838 0.3 . 1 . . . A 19 VAL CG1 . 17495 1 164 . 1 1 19 19 VAL CG2 C 13 20.638 0.3 . 1 . . . A 19 VAL CG2 . 17495 1 165 . 1 1 19 19 VAL N N 15 120.364 0.3 . 1 . . . A 19 VAL N . 17495 1 166 . 1 1 20 20 GLY H H 1 8.498 0.03 . 1 . . . A 20 GLY H . 17495 1 167 . 1 1 20 20 GLY HA2 H 1 4.278 0.03 . 2 . . . A 20 GLY HA2 . 17495 1 168 . 1 1 20 20 GLY HA3 H 1 3.490 0.03 . 2 . . . A 20 GLY HA3 . 17495 1 169 . 1 1 20 20 GLY CA C 13 46.126 0.3 . 1 . . . A 20 GLY CA . 17495 1 170 . 1 1 20 20 GLY N N 15 102.201 0.3 . 1 . . . A 20 GLY N . 17495 1 171 . 1 1 21 21 THR H H 1 7.896 0.03 . 1 . . . A 21 THR H . 17495 1 172 . 1 1 21 21 THR HB H 1 4.432 0.03 . 1 . . . A 21 THR HB . 17495 1 173 . 1 1 21 21 THR HG21 H 1 1.176 0.03 . 1 . . . A 21 THR HG21 . 17495 1 174 . 1 1 21 21 THR HG22 H 1 1.176 0.03 . 1 . . . A 21 THR HG22 . 17495 1 175 . 1 1 21 21 THR HG23 H 1 1.176 0.03 . 1 . . . A 21 THR HG23 . 17495 1 176 . 1 1 21 21 THR CA C 13 76.049 0.3 . 1 . . . A 21 THR CA . 17495 1 177 . 1 1 21 21 THR CB C 13 77.141 0.3 . 1 . . . A 21 THR CB . 17495 1 178 . 1 1 21 21 THR CG2 C 13 20.449 0.3 . 1 . . . A 21 THR CG2 . 17495 1 179 . 1 1 21 21 THR N N 15 125.215 0.3 . 1 . . . A 21 THR N . 17495 1 180 . 1 1 22 22 GLU H H 1 8.635 0.03 . 1 . . . A 22 GLU H . 17495 1 181 . 1 1 22 22 GLU HA H 1 3.782 0.03 . 1 . . . A 22 GLU HA . 17495 1 182 . 1 1 22 22 GLU HB2 H 1 1.852 0.03 . 1 . . . A 22 GLU HB2 . 17495 1 183 . 1 1 22 22 GLU HB3 H 1 1.852 0.03 . 1 . . . A 22 GLU HB3 . 17495 1 184 . 1 1 22 22 GLU HG2 H 1 2.239 0.03 . 1 . . . A 22 GLU HG2 . 17495 1 185 . 1 1 22 22 GLU HG3 H 1 2.239 0.03 . 1 . . . A 22 GLU HG3 . 17495 1 186 . 1 1 22 22 GLU CA C 13 60.043 0.3 . 1 . . . A 22 GLU CA . 17495 1 187 . 1 1 22 22 GLU CB C 13 27.876 0.3 . 1 . . . A 22 GLU CB . 17495 1 188 . 1 1 22 22 GLU CG C 13 32.456 0.3 . 1 . . . A 22 GLU CG . 17495 1 189 . 1 1 22 22 GLU N N 15 116.101 0.3 . 1 . . . A 22 GLU N . 17495 1 190 . 1 1 23 23 PHE H H 1 7.499 0.03 . 1 . . . A 23 PHE H . 17495 1 191 . 1 1 23 23 PHE HA H 1 4.267 0.03 . 1 . . . A 23 PHE HA . 17495 1 192 . 1 1 23 23 PHE HB2 H 1 3.068 0.03 . 1 . . . A 23 PHE HB2 . 17495 1 193 . 1 1 23 23 PHE HB3 H 1 3.068 0.03 . 1 . . . A 23 PHE HB3 . 17495 1 194 . 1 1 23 23 PHE CA C 13 59.990 0.3 . 1 . . . A 23 PHE CA . 17495 1 195 . 1 1 23 23 PHE CB C 13 39.091 0.3 . 1 . . . A 23 PHE CB . 17495 1 196 . 1 1 23 23 PHE N N 15 115.946 0.3 . 1 . . . A 23 PHE N . 17495 1 197 . 1 1 24 24 ALA H H 1 8.616 0.03 . 1 . . . A 24 ALA H . 17495 1 198 . 1 1 24 24 ALA HA H 1 4.009 0.03 . 1 . . . A 24 ALA HA . 17495 1 199 . 1 1 24 24 ALA HB1 H 1 1.665 0.03 . 1 . . . A 24 ALA HB1 . 17495 1 200 . 1 1 24 24 ALA HB2 H 1 1.665 0.03 . 1 . . . A 24 ALA HB2 . 17495 1 201 . 1 1 24 24 ALA HB3 H 1 1.665 0.03 . 1 . . . A 24 ALA HB3 . 17495 1 202 . 1 1 24 24 ALA CA C 13 55.810 0.3 . 1 . . . A 24 ALA CA . 17495 1 203 . 1 1 24 24 ALA CB C 13 19.178 0.3 . 1 . . . A 24 ALA CB . 17495 1 204 . 1 1 24 24 ALA N N 15 119.298 0.3 . 1 . . . A 24 ALA N . 17495 1 205 . 1 1 25 25 ALA H H 1 8.320 0.03 . 1 . . . A 25 ALA H . 17495 1 206 . 1 1 25 25 ALA HB1 H 1 1.834 0.03 . 1 . . . A 25 ALA HB1 . 17495 1 207 . 1 1 25 25 ALA HB2 H 1 1.834 0.03 . 1 . . . A 25 ALA HB2 . 17495 1 208 . 1 1 25 25 ALA HB3 H 1 1.834 0.03 . 1 . . . A 25 ALA HB3 . 17495 1 209 . 1 1 25 25 ALA CA C 13 70.189 0.3 . 1 . . . A 25 ALA CA . 17495 1 210 . 1 1 25 25 ALA CB C 13 28.069 0.3 . 1 . . . A 25 ALA CB . 17495 1 211 . 1 1 25 25 ALA N N 15 121.594 0.3 . 1 . . . A 25 ALA N . 17495 1 212 . 1 1 26 26 ALA H H 1 7.664 0.03 . 1 . . . A 26 ALA H . 17495 1 213 . 1 1 26 26 ALA HA H 1 4.265 0.03 . 1 . . . A 26 ALA HA . 17495 1 214 . 1 1 26 26 ALA HB1 H 1 1.634 0.03 . 1 . . . A 26 ALA HB1 . 17495 1 215 . 1 1 26 26 ALA HB2 H 1 1.634 0.03 . 1 . . . A 26 ALA HB2 . 17495 1 216 . 1 1 26 26 ALA HB3 H 1 1.634 0.03 . 1 . . . A 26 ALA HB3 . 17495 1 217 . 1 1 26 26 ALA CA C 13 36.367 0.3 . 1 . . . A 26 ALA CA . 17495 1 218 . 1 1 26 26 ALA CB C 13 17.216 0.3 . 1 . . . A 26 ALA CB . 17495 1 219 . 1 1 26 26 ALA N N 15 119.470 0.3 . 1 . . . A 26 ALA N . 17495 1 220 . 1 1 27 27 SER H H 1 8.324 0.03 . 1 . . . A 27 SER H . 17495 1 221 . 1 1 27 27 SER HA H 1 3.934 0.03 . 1 . . . A 27 SER HA . 17495 1 222 . 1 1 27 27 SER HB2 H 1 4.138 0.03 . 2 . . . A 27 SER HB2 . 17495 1 223 . 1 1 27 27 SER HB3 H 1 3.904 0.03 . 2 . . . A 27 SER HB3 . 17495 1 224 . 1 1 27 27 SER CA C 13 62.684 0.3 . 1 . . . A 27 SER CA . 17495 1 225 . 1 1 27 27 SER CB C 13 62.993 0.3 . 1 . . . A 27 SER CB . 17495 1 226 . 1 1 27 27 SER N N 15 114.102 0.3 . 1 . . . A 27 SER N . 17495 1 227 . 1 1 28 28 DTY CA C 13 76.082 0.3 . 1 . . . A 28 DTY CA . 17495 1 228 . 1 1 28 28 DTY CB C 13 45.007 0.3 . 1 . . . A 28 DTY CB . 17495 1 229 . 1 1 28 28 DTY H H 1 8.204 0.03 . 1 . . . A 28 DTY H . 17495 1 230 . 1 1 28 28 DTY HB2 H 1 3.164 0.03 . 1 . . . A 28 DTY HB2 . 17495 1 231 . 1 1 28 28 DTY HB3 H 1 2.624 0.03 . 1 . . . A 28 DTY HB3 . 17495 1 232 . 1 1 28 28 DTY N N 15 129.274 0.3 . 1 . . . A 28 DTY N . 17495 1 233 . 1 1 29 29 PHE H H 1 7.783 0.03 . 1 . . . A 29 PHE H . 17495 1 234 . 1 1 29 29 PHE HA H 1 4.170 0.03 . 1 . . . A 29 PHE HA . 17495 1 235 . 1 1 29 29 PHE HB2 H 1 3.389 0.03 . 2 . . . A 29 PHE HB2 . 17495 1 236 . 1 1 29 29 PHE HB3 H 1 2.905 0.03 . 2 . . . A 29 PHE HB3 . 17495 1 237 . 1 1 29 29 PHE CA C 13 60.471 0.3 . 1 . . . A 29 PHE CA . 17495 1 238 . 1 1 29 29 PHE CB C 13 39.718 0.3 . 1 . . . A 29 PHE CB . 17495 1 239 . 1 1 29 29 PHE N N 15 110.808 0.3 . 1 . . . A 29 PHE N . 17495 1 240 . 1 1 30 30 LEU H H 1 7.750 0.03 . 1 . . . A 30 LEU H . 17495 1 241 . 1 1 30 30 LEU HA H 1 4.298 0.03 . 1 . . . A 30 LEU HA . 17495 1 242 . 1 1 30 30 LEU HB2 H 1 1.801 0.03 . 2 . . . A 30 LEU HB2 . 17495 1 243 . 1 1 30 30 LEU HB3 H 1 1.560 0.03 . 2 . . . A 30 LEU HB3 . 17495 1 244 . 1 1 30 30 LEU HG H 1 1.706 0.03 . 1 . . . A 30 LEU HG . 17495 1 245 . 1 1 30 30 LEU HD11 H 1 0.885 0.03 . 1 . . . A 30 LEU HD11 . 17495 1 246 . 1 1 30 30 LEU HD12 H 1 0.885 0.03 . 1 . . . A 30 LEU HD12 . 17495 1 247 . 1 1 30 30 LEU HD13 H 1 0.885 0.03 . 1 . . . A 30 LEU HD13 . 17495 1 248 . 1 1 30 30 LEU HD21 H 1 0.848 0.03 . 1 . . . A 30 LEU HD21 . 17495 1 249 . 1 1 30 30 LEU HD22 H 1 0.848 0.03 . 1 . . . A 30 LEU HD22 . 17495 1 250 . 1 1 30 30 LEU HD23 H 1 0.848 0.03 . 1 . . . A 30 LEU HD23 . 17495 1 251 . 1 1 30 30 LEU CA C 13 54.080 0.3 . 1 . . . A 30 LEU CA . 17495 1 252 . 1 1 30 30 LEU CB C 13 42.127 0.3 . 1 . . . A 30 LEU CB . 17495 1 253 . 1 1 30 30 LEU CD1 C 13 24.759 0.3 . 1 . . . A 30 LEU CD1 . 17495 1 254 . 1 1 30 30 LEU CD2 C 13 22.545 0.3 . 1 . . . A 30 LEU CD2 . 17495 1 255 . 1 1 30 30 LEU N N 15 118.789 0.3 . 1 . . . A 30 LEU N . 17495 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1 _Spectral_peak_list.Entry_ID 17495 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $Trnb _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID . _Spectral_peak_list.Experiment_name . _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf HN H1 N15 trnb_gnoesyNfhsqcA.nv 6000.60009766 6599.27490234 1944.30004883 599.934020996 599.934020996 60.7980003357 HN.L HN.P HN.W HN.B HN.E HN.J HN.U H1.L H1.P H1.W H1.B H1.E H1.J H1.U N15.L N15.P N15.W N15.B N15.E N15.J N15.U vol int stat comment flag0 0 {} 8.49764 0.02765 0.02728 ++ 0.0 {} {} 4.28475 0.07156 0.07068 ++ 0.0 {} {} 102.21780 0.27693 0.27223 ++ 0.0 {} 0.641200006008 0.6412 0 {} 0 1 {} 8.49784 0.02617 0.04578 ++ 0.0 {} {} 3.48740 0.06672 0.09664 ++ 0.0 {} {} 102.22690 0.26571 0.40311 ++ 0.0 {} 1.35029995441 1.3503 0 {} 0 2 {} 8.49529 0.02986 0.02516 ++ 0.0 {} {} 2.16245 0.03862 0.02960 ++ 0.0 {} {} 102.23215 0.26572 0.20364 ++ 0.0 {} 0.528599977493 0.5286 0 {} 0 3 {28.HN} 8.20400 0.02242 0.03341 ++ 0.0 {} {28.HB1} 3.16086 0.06878 0.09428 ++ 0.0 {} {28.N} 129.26501 0.32917 0.49149 ++ 0.0 {} 0.0 1.2864 0 {} 0 4 {28.HN} 8.20359 0.01874 0.02075 ++ 0.0 {} {5.HB2} 2.94392 0.05305 0.05586 ++ 0.0 {} {28.N} 129.25533 0.26248 0.28449 ++ 0.0 {} 0.0 0.7117 0 {} 0 5 {28.HN} 8.20398 0.02189 0.03442 ++ 0.0 {} {28.HB2} 2.61956 0.05923 0.08011 ++ 0.0 {} {28.N} 129.26553 0.29503 0.43847 ++ 0.0 {} 0.0 1.2690 0 {} 0 6 {8.HN} 8.14428 0.01319 0.01884 ++ 0.0 {} {8.HA} 4.05580 0.02929 0.04185 ++ 0.0 {} {8.N} 125.61246 0.39491 0.29590 ++ 0.0 {} 0.0 0.5213 0 {} 0 7 {8.HN} 8.14129 0.02252 0.02279 ++ 0.0 {} {7.QA} 3.74137 0.06392 0.06436 ++ 0.0 {} {8.N} 125.61551 0.28862 0.29171 ++ 0.0 {} 0.0 0.6591 0 {} 0 8 {8.HN} 8.14001 0.02490 0.03375 ++ 0.0 {} {8.MB} 1.46923 0.05497 0.07290 ++ 0.0 {} {8.N} 125.61285 0.37676 0.57675 ++ 0.0 {} 0.0 1.1273 0 {} 0 9 {} 7.89862 0.01110 0.01586 ++ 0.0 {} {} 5.96708 0.03426 0.02175 ++ 0.0 {} {} 125.32184 0.35808 0.22738 ++ 0.0 {} 0.0 0.4777 0 {} 0 10 {} 7.89609 0.01825 0.00949 ++ 0.0 {} {} 4.77009 0.02039 0.02913 ++ 0.0 {} {} 125.20735 0.25213 0.13106 ++ 0.0 {} 0.0 0.4405 0 {} 0 11 {} 7.89624 0.02310 0.03272 ++ 0.0 {} {} 4.42361 0.06751 0.08654 ++ 0.0 {} {} 125.24767 0.28540 0.39763 ++ 0.0 {} 1.07459998131 1.0746 0 {} 0 12 {21.HN} 7.89815 0.00121 0.00172 ++ 0.0 {} {20.HA1} 4.28105 0.00553 0.00789 ++ 0.0 {} {21.N} 125.25852 0.34803 0.02758 ++ 0.0 {} 0.0 0.3395 0 {} 0 13 {21.HN} 7.89522 0.01823 0.01704 ++ 0.0 {} {13.HA} 3.65574 0.06142 0.05867 ++ 0.0 {} {21.N} 125.24313 0.26419 0.24693 ++ 0.0 {} 0.0 0.6121 0 {} 0 14 {25.HN} 8.31991 0.00474 0.00677 ++ 0.0 {} {9.HB2} 2.90383 0.02160 0.03086 ++ 0.0 {} {25.N} 121.58507 0.12768 0.18239 ++ 0.0 {} 0.0 0.3927 0 {} 0 15 {25.HN} 8.31959 0.02454 0.04033 ++ 0.0 {} {25.MB} 1.83186 0.05961 0.08661 ++ 0.0 {} {25.N} 121.58660 0.35065 0.62345 ++ 0.0 {} 0.0 1.7356 0 {} 0 16 {} 8.31906 0.02530 0.02590 ++ 0.0 {} {} 1.65378 0.08542 0.08684 ++ 0.0 {} {} 121.63162 0.26717 0.27405 ++ 0.0 {} 0.0 0.6693 0 {} 0 17 {13.HN} 9.01147 0.02415 0.02897 ++ 0.0 {} {13.HA} 3.64696 0.05872 0.06928 ++ 0.0 {} {13.N} 120.34933 0.35314 0.43255 ++ 0.0 {} 0.0 0.8412 0 {} 0 18 {} 9.01181 0.02527 0.03303 ++ 0.0 {} {} 2.93869 0.05381 0.07198 ++ 0.0 {} {} 120.35484 0.31003 0.43622 ++ 0.0 {} 0.0 1.0996 0 {} 0 19 {13.HN} 9.01082 0.02547 0.02680 ++ 0.0 {} {12.HB} 1.95683 0.06127 0.06341 ++ 0.0 {} {13.N} 120.32097 0.38563 0.40626 ++ 0.0 {} 0.0 0.6889 0 {} 0 20 {15.HN} 8.16369 0.02497 0.02472 ++ 0.0 {} {15.HA} 4.08531 0.06451 0.06413 ++ 0.0 {} {15.N} 120.68922 0.29012 0.28727 ++ 0.0 {} 0.0 0.6457 0 {} 0 21 {} 8.16473 0.01936 0.00763 ++ 0.0 {} {} 1.61339 0.01288 0.01841 ++ 0.0 {} {} 120.77059 0.46305 0.18247 ++ 0.0 {} 0.0 0.4060 0 {} 0 22 {15.HN} 8.16400 0.02389 0.03901 ++ 0.0 {} {15.MB} 1.50088 0.05442 0.07965 ++ 0.0 {} {15.N} 120.71575 0.26155 0.41026 ++ 0.0 {} 0.0 1.5112 0 {} 0 23 {19.HN} 7.59505 0.02355 0.02654 ++ 0.0 {} {19.HA} 3.81088 0.06642 0.07409 ++ 0.0 {} {19.N} 120.37217 0.33285 0.38708 ++ 0.0 {} 0.0 0.7790 0 {} 0 24 {19.HN} 7.59567 0.02712 0.03569 ++ 0.0 {} {19.HB} 2.16204 0.05194 0.07281 ++ 0.0 {} {19.N} 120.34939 0.34467 0.49676 ++ 0.0 {} 0.0 1.1670 0 {} 0 25 {} 7.35260 0.01320 0.01886 ++ 0.0 {} {} 1.30665 0.04024 0.01171 ++ 0.0 {} {} 120.69182 0.25205 0.07333 ++ 0.0 {} 0.0 0.3815 0 {} 0 26 {19.HN} 7.59520 0.02582 0.03983 ++ 0.0 {} {19.MG1} 1.12399 0.05357 0.07586 ++ 0.0 {} {19.N} 120.35719 0.30218 0.48190 ++ 0.0 {} 0.0 1.6089 0 {} 0 27 {24.HN} 8.61712 0.01754 0.01632 ++ 0.0 {} {24.HA} 4.00821 0.05268 0.04980 ++ 0.0 {} {24.N} 119.30421 0.34232 0.31865 ++ 0.0 {} 0.0 0.6099 0 {} 0 28 {24.HN} 8.61873 0.02361 0.02803 ++ 0.0 {} {23.QB} 3.06311 0.05588 0.06597 ++ 0.0 {} {24.N} 119.31631 0.34561 0.41028 ++ 0.0 {} 0.0 0.8022 0 {} 0 29 {24.HN} 8.61789 0.02482 0.03719 ++ 0.0 {} {24.MB} 1.66090 0.06301 0.08124 ++ 0.0 {} {24.N} 119.31377 0.39343 0.58641 ++ 0.0 {} 0.0 1.0959 0 {} 0 30 {} 7.66416 0.02774 0.02636 ++ 0.0 {} {} 4.26961 0.05146 0.04872 ++ 0.0 {} {} 119.48546 0.37900 0.35329 ++ 0.0 {} 0.0 0.6106 0 {} 0 31 {12.HN} 7.50961 0.01325 0.01893 ++ 0.0 {} {11.HB} 4.09009 0.05021 0.04408 ++ 0.0 {} {12.N} 119.90866 0.25803 0.21808 ++ 0.0 {} 0.0 0.5646 0 {} 0 32 {12.HN} 7.50925 0.00953 0.01362 ++ 0.0 {} {12.HA} 3.60829 0.06683 0.04593 ++ 0.0 {} {12.N} 119.85803 0.38326 0.20628 ++ 0.0 {} 0.0 0.4461 0 {} 0 33 {} 7.71375 0.00336 0.00480 ++ 0.0 {} {} 3.31802 0.01237 0.01767 ++ 0.0 {} {} 119.56371 0.37812 0.06796 ++ 0.0 {} 0.0 0.3582 0 {} 0 34 {12.HN} 7.50834 0.02788 0.03667 ++ 0.0 {} {12.HB} 1.95225 0.05764 0.07255 ++ 0.0 {} {12.N} 119.90733 0.28169 0.37563 ++ 0.0 {} 0.0 0.9783 0 {} 0 35 {} 7.71160 0.01040 0.01486 ++ 0.0 {} {} 1.74234 0.06594 0.05059 ++ 0.0 {} {} 119.56136 0.33960 0.24333 ++ 0.0 {} 0.0 0.5080 0 {} 0 36 {26.HN} 7.66589 0.00007 0.00009 ++ 0.0 {} {25.MB} 1.83366 0.00013 0.00018 ++ 0.0 {} {26.N} 119.50569 0.38728 0.00148 ++ 0.0 {} 0.0 0.3267 0 {} 0 37 {26.HN} 7.66458 0.02493 0.03538 ++ 0.0 {} {26.MB} 1.63307 0.05672 0.07706 ++ 0.0 {} {26.N} 119.43919 0.30487 0.45553 ++ 0.0 {} 0.0 1.2891 0 {} 0 38 {} 7.50785 0.02696 0.03028 ++ 0.0 {} {} 1.04128 0.04894 0.05647 ++ 0.0 {} {} 119.91544 0.27983 0.32901 ++ 0.0 {} 0.0 0.7911 0 {} 0 39 {} 7.71061 0.00069 0.00098 ++ 0.0 {} {} 0.44965 0.00107 0.00153 ++ 0.0 {} {} 119.55943 0.42336 0.01285 ++ 0.0 {} 0.0 0.3311 0 {} 0 40 {14.HN} 8.15694 0.02342 0.02560 ++ 0.0 {} {14.HA} 4.01065 0.05232 0.05621 ++ 0.0 {} {14.N} 118.85045 0.43796 0.47737 ++ 0.0 {} 0.0 0.7165 0 {} 0 41 {6.HN} 8.17945 0.01969 0.01982 ++ 0.0 {} {6.HA} 3.54503 0.05395 0.05415 ++ 0.0 {} {6.N} 118.31289 0.41092 0.41278 ++ 0.0 {} 0.0 0.6550 0 {} 0 42 {6.HN} 8.17785 0.02750 0.03050 ++ 0.0 {} {5.HB1} 3.32787 0.05586 0.06035 ++ 0.0 {} {6.N} 118.33379 0.42333 0.46843 ++ 0.0 {} 0.0 0.7298 0 {} 0 43 {14.HN} 8.15889 0.01522 0.01630 ++ 0.0 {} {13.HB2} 2.93804 0.05503 0.05829 ++ 0.0 {} {14.N} 118.84248 0.36114 0.38678 ++ 0.0 {} 0.0 0.7019 0 {} 0 44 {14.HN} 8.15740 0.01820 0.02773 ++ 0.0 {} {14.HB1} 1.86000 0.04414 0.06029 ++ 0.0 {} {14.N} 118.82625 0.41638 0.59282 ++ 0.0 {} 0.0 1.0644 0 {} 0 45 {14.HN} 8.15586 0.01103 0.01576 ++ 0.0 {} {14.HG} 1.72853 0.03808 0.02197 ++ 0.0 {} {14.N} 118.84145 0.42509 0.24522 ++ 0.0 {} 0.0 0.4582 0 {} 0 46 {6.HN} 8.17759 0.01810 0.02753 ++ 0.0 {} {6.HB} 2.02665 0.05536 0.06874 ++ 0.0 {} {6.N} 118.33062 0.36678 0.49872 ++ 0.0 {} 0.0 1.0184 0 {} 0 47 {14.HN} 8.16128 0.01560 0.01122 ++ 0.0 {} {14.HB2} 1.60668 0.04105 0.02952 ++ 0.0 {} {14.N} 118.78466 0.26518 0.19074 ++ 0.0 {} 0.0 0.5091 0 {} 0 48 {} 8.17942 0.02419 0.02801 ++ 0.0 {} {} 0.97093 0.06195 0.06682 ++ 0.0 {} {} 118.32053 0.33969 0.38663 ++ 0.0 {} 0.0 0.7566 0 {} 0 49 {30.HN} 7.74797 0.00739 0.01055 ++ 0.0 {} {30.HA} 4.29671 0.02858 0.04083 ++ 0.0 {} {30.N} 118.88021 0.36394 0.19231 ++ 0.0 {} 0.0 0.4431 0 {} 0 50 {30.HN} 7.74786 0.01668 0.01399 ++ 0.0 {} {30.HB1} 1.80676 0.06542 0.05787 ++ 0.0 {} {30.N} 118.80446 0.35265 0.29575 ++ 0.0 {} 0.0 0.5615 0 {} 0 51 {30.HN} 7.75134 0.00592 0.00846 ++ 0.0 {} {30.HG} 1.70450 0.02064 0.02949 ++ 0.0 {} {30.N} 118.82829 0.37355 0.15393 ++ 0.0 {} 0.0 0.4106 0 {} 0 52 {22.HN} 8.63433 0.02080 0.04514 ++ 0.0 {} {21.HB} 4.42939 0.06669 0.11090 ++ 0.0 {} {22.N} 116.09235 0.36881 0.80467 ++ 0.0 {} 0.0 2.8812 0 {} 0 53 {22.HN} 8.63414 0.01772 0.02423 ++ 0.0 {} {22.HA} 3.78172 0.05550 0.06466 ++ 0.0 {} {22.N} 116.09807 0.32724 0.41191 ++ 0.0 {} 0.0 0.8796 0 {} 0 54 {22.HN} 8.63430 0.02073 0.03570 ++ 0.0 {} {22.QB} 1.84801 0.05967 0.08662 ++ 0.0 {} {22.N} 116.09574 0.34296 0.65898 ++ 0.0 {} 0.0 1.7667 0 {} 0 55 {23.HN} 7.49912 0.01300 0.01858 ++ 0.0 {} {23.HA} 4.26432 0.04148 0.03766 ++ 0.0 {} {23.N} 115.88822 0.23158 0.21026 ++ 0.0 {} 0.0 0.5971 0 {} 0 56 {23.HN} 7.50169 0.02392 0.03035 ++ 0.0 {} {23.QB} 3.05908 0.06298 0.07570 ++ 0.0 {} {23.N} 115.96001 0.28888 0.36246 ++ 0.0 {} 0.0 0.8749 0 {} 0 57 {9.HN} 8.93283 0.00007 0.00011 ++ 0.0 {} {9.HA} 3.86527 0.04216 0.00017 ++ 0.0 {} {9.N} 114.61735 0.24789 0.00102 ++ 0.0 {} 0.0 0.3267 0 {} 0 58 {} 8.32476 0.01177 0.00131 ++ 0.0 {} {} 4.26004 0.03906 0.00434 ++ 0.0 {} {} 114.24862 0.18415 0.02048 ++ 0.0 {} 0.0 0.3452 0 {} 0 59 {11.HN} 7.87514 0.02411 0.02485 ++ 0.0 {} {11.HB} 4.09630 0.05376 0.05504 ++ 0.0 {} {11.N} 114.85667 0.37723 0.38730 ++ 0.0 {} 0.0 0.6699 0 {} 0 60 {5.HN} 7.72149 0.01270 0.01814 ++ 0.0 {} {5.HA} 4.23975 0.06045 0.05355 ++ 0.0 {} {5.N} 114.72171 0.24523 0.20857 ++ 0.0 {} 0.0 0.5673 0 {} 0 61 {} 7.87657 0.01294 0.01848 ++ 0.0 {} {} 3.77816 0.08137 0.07571 ++ 0.0 {} {} 114.86855 0.30411 0.27909 ++ 0.0 {} 0.602500021458 0.6025 0 {} 0 62 {11.HN} 7.87057 0.01623 0.00693 ++ 0.0 {} {10.HA1} 3.85879 0.01910 0.02729 ++ 0.0 {} {11.N} 114.84098 0.32580 0.13921 ++ 0.0 {} 0.0 0.4146 0 {} 0 63 {} 7.72542 0.02731 0.02567 ++ 0.0 {} {} 3.33102 0.06015 0.05792 ++ 0.0 {} {} 114.72090 0.28475 0.26786 ++ 0.0 {} 0.0 0.6156 0 {} 0 64 {5.HN} 7.72525 0.00281 0.00402 ++ 0.0 {} {4.MB} 1.31343 0.00937 0.01339 ++ 0.0 {} {5.N} 114.63356 0.24471 0.04715 ++ 0.0 {} 0.0 0.3608 0 {} 0 65 {} 8.32020 0.02948 0.02375 ++ 0.0 {} {} 4.77027 0.05414 0.04639 ++ 0.0 {} {} 114.06365 0.31364 0.24423 ++ 0.0 {} 0.0 0.5339 0 {} 0 66 {27.HN} 8.32060 0.01996 0.01969 ++ 0.0 {} {27.HB1} 4.13387 0.05057 0.04994 ++ 0.0 {} {27.N} 114.10191 0.33067 0.32692 ++ 0.0 {} 0.0 0.6448 0 {} 0 67 {27.HN} 8.32064 0.02038 0.02884 ++ 0.0 {} {27.HA} 3.92584 0.06047 0.07587 ++ 0.0 {} {27.N} 114.07059 0.34695 0.44675 ++ 0.0 {} 0.0 0.9154 0 {} 0 68 {27.HN} 8.31772 0.00095 0.00135 ++ 0.0 {} {26.MB} 1.63905 0.00146 0.00209 ++ 0.0 {} {27.N} 114.06066 0.40169 0.01587 ++ 0.0 {} 0.0 0.3326 0 {} 0 69 {29.HN} 7.78375 0.01792 0.01512 ++ 0.0 {} {29.HA} 4.16405 0.05688 0.04925 ++ 0.0 {} {29.N} 110.79639 0.31417 0.26519 ++ 0.0 {} 0.0 0.5641 0 {} 0 70 {29.HN} 7.78304 0.02713 0.03615 ++ 0.0 {} {29.HB2} 2.90244 0.06699 0.08677 ++ 0.0 {} {29.N} 110.84405 0.33314 0.47996 ++ 0.0 {} 0.0 1.1659 0 {} 0 71 {29.HN} 7.78467 0.02478 0.02445 ++ 0.0 {} {28.HB2} 2.61893 0.05878 0.05820 ++ 0.0 {} {29.N} 110.80476 0.33332 0.32887 ++ 0.0 {} 0.0 0.6435 0 {} 0 72 {17.HN} 8.10000 0.01831 0.00771 ++ 0.0 {} {16.HA} 4.56286 0.03828 0.01612 ++ 0.0 {} {17.N} 109.61136 0.26931 0.11339 ++ 0.0 {} 0.0 0.4130 0 {} 0 73 {17.HN} 8.10025 0.02328 0.03395 ++ 0.0 {} {17.HA1} 3.99948 0.07679 0.10058 ++ 0.0 {} {17.N} 109.60963 0.32403 0.47236 ++ 0.0 {} 0.0 1.2025 0 {} 0 74 {17.HN} 8.09942 0.02418 0.04312 ++ 0.0 {} {17.HA2} 3.83623 0.07000 0.11478 ++ 0.0 {} {17.N} 109.59496 0.36666 0.71749 ++ 0.0 {} 0.0 2.2332 0 {} 0 75 {7.HN} 7.94829 0.02883 0.04804 ++ 0.0 {} {7.QA} 3.74256 0.07286 0.11108 ++ 0.0 {} {7.N} 105.36642 0.32606 0.58461 ++ 0.0 {} 0.0 1.7410 0 {} 0 76 {7.HN} 7.95532 0.00666 0.00951 ++ 0.0 {} {6.HB} 2.03559 0.04287 0.01306 ++ 0.0 {} {7.N} 105.42978 0.21944 0.06683 ++ 0.0 {} 0.0 0.3846 0 {} 0 77 {} 7.54286 0.00562 0.00803 ++ 0.0 {} {} 4.76729 0.01329 0.01899 ++ 0.0 {} {} 105.88173 0.30160 0.12079 ++ 0.0 {} 0.0 0.4077 0 {} 0 78 {16.HN} 7.53870 0.00946 0.01351 ++ 0.0 {} {16.HA} 4.55969 0.02399 0.03428 ++ 0.0 {} {16.N} 105.93155 0.22117 0.10971 ++ 0.0 {} 0.0 0.4336 0 {} 0 79 {16.HN} 7.53832 0.02752 0.02044 ++ 0.0 {} {16.HB2} 3.77653 0.02522 0.03603 ++ 0.0 {} {16.N} 105.88912 0.26978 0.17984 ++ 0.0 {} 0.0 0.4890 0 {} 0 80 {16.HN} 7.53867 0.00040 0.00058 ++ 0.0 {} {15.MB} 1.50026 0.00077 0.00110 ++ 0.0 {} {16.N} 105.91219 0.34505 0.00621 ++ 0.0 {} 0.0 0.3290 0 {} 0 81 {10.HN} 8.53607 0.02531 0.04339 ++ 0.0 {} {10.HA1} 3.84879 0.06637 0.09706 ++ 0.0 {} {10.N} 104.53933 0.29261 0.47942 ++ 0.0 {} 0.0 1.8035 0 {} 0 82 {10.HN} 8.53795 0.02749 0.03166 ++ 0.0 {} {10.HA2} 3.57113 0.07085 0.07867 ++ 0.0 {} {10.N} 104.50898 0.28808 0.33467 ++ 0.0 {} 0.0 0.7778 0 {} 0 83 {10.HN} 8.53539 0.02636 0.03249 ++ 0.0 {} {9.HB1} 3.15384 0.05504 0.06674 ++ 0.0 {} {10.N} 104.54463 0.34089 0.42774 ++ 0.0 {} 0.0 0.8750 0 {} 0 84 {} 8.48163 0.01315 0.01879 ++ 0.0 {} {} 4.41260 0.06384 0.05164 ++ 0.0 {} {} 103.47038 0.22727 0.17742 ++ 0.0 {} 0.0 0.5348 0 {} 0 85 {} 8.48045 0.03044 0.02857 ++ 0.0 {} {} 4.00625 0.05809 0.05516 ++ 0.0 {} {} 103.39983 0.24499 0.22802 ++ 0.0 {} 0.0 0.6098 0 {} 0 86 {} 8.48847 0.00644 0.00920 ++ 0.0 {} {} 3.82566 0.02680 0.03828 ++ 0.0 {} {} 103.33780 0.43669 0.16935 ++ 0.0 {} 0.0 0.4045 0 {} 0 87 {18.HN} 8.48322 0.03130 0.04288 ++ 0.0 {} {18.HA2} 3.38331 0.05917 0.08109 ++ 0.0 {} {18.N} 103.43421 0.24064 0.34302 ++ 0.0 {} 0.0 1.1349 0 {} 0 88 {} 8.49577 0.03289 0.07372 ++ 0.0 {} {} 8.49546 0.06432 0.15039 ++ 0.0 {} {} 102.25089 0.26028 0.65513 ++ 0.0 {} 0.0 22.1708 0 {} 0 89 {} 8.49706 0.01423 0.00354 ++ 0.0 {} {} 8.29559 0.01029 0.01469 ++ 0.0 {} {} 102.29493 0.23333 0.05807 ++ 0.0 {} 0.0 0.3943 0 {} 0 90 {} 8.49666 0.01844 0.01259 ++ 0.0 {} {} 7.88774 0.07089 0.05263 ++ 0.0 {} {} 102.27688 0.29248 0.19969 ++ 0.0 {} 0.0 0.5242 0 {} 0 91 {} 8.49617 0.02836 0.02713 ++ 0.0 {} {} 7.59056 0.07330 0.07048 ++ 0.0 {} {} 102.24108 0.26775 0.25627 ++ 0.0 {} 0.0 0.6621 0 {} 0 92 {} 8.20423 0.03337 0.07589 ++ 0.0 {} {} 8.20426 0.03368 0.10742 ++ 0.0 {} {} 129.26765 0.62942 0.99458 ++ 0.0 {} 0.0 24.7350 0 {} 0 93 {28.HN} 8.20525 0.01668 0.01289 ++ 0.0 {} {29.HN} 7.78539 0.08282 0.06505 ++ 0.0 {} {28.N} 129.26195 0.32101 0.24810 ++ 0.0 {} 0.0 0.5627 0 {} 0 94 {8.HN} 8.14103 0.01737 0.00897 ++ 0.0 {} {9.HN} 8.94119 0.02895 0.04135 ++ 0.0 {} {8.N} 125.60323 0.38112 0.19680 ++ 0.0 {} 0.0 0.4654 0 {} 0 95 {21.HN} 7.89537 0.01140 0.01629 ++ 0.0 {} {20.HN} 8.49928 0.02936 0.04194 ++ 0.0 {} {21.N} 125.24033 0.41496 0.32061 ++ 0.0 {} 0.0 0.5626 0 {} 0 96 {} 8.14130 0.02595 0.05956 ++ 0.0 {} {} 8.14090 0.03507 0.08583 ++ 0.0 {} {} 125.62244 0.31274 0.95053 ++ 0.0 {} 0.0 29.5014 0 {} 0 97 {8.HN} 8.13934 0.01742 0.02169 ++ 0.0 {} {7.HN} 7.94017 0.04494 0.05889 ++ 0.0 {} {8.N} 125.64963 0.28547 0.35041 ++ 0.0 {} 0.0 0.8938 0 {} 0 98 {21.HN} 7.89552 0.01892 0.05657 ++ 0.0 {} {21.HN} 7.89285 0.03386 0.10742 ++ 0.0 {} {21.N} 125.23254 0.27849 0.97325 ++ 0.0 {} 0.0 36.2712 0 {} 0 99 {} 7.89614 0.01898 0.03760 ++ 0.0 {} {} 7.82085 0.04154 0.06445 ++ 0.0 {} {} 125.24187 0.27716 0.61714 ++ 0.0 {} 0.0 4.6311 0 {} 0 100 {} 7.89329 0.01303 0.00662 ++ 0.0 {} {} 7.68094 0.02795 0.01421 ++ 0.0 {} {} 125.23611 0.23083 0.11733 ++ 0.0 {} 0.0 0.4629 0 {} 0 101 {} 7.89775 0.01902 0.00428 ++ 0.0 {} {} 8.62160 0.03434 0.00772 ++ 0.0 {} {} 125.17426 0.25078 0.05636 ++ 0.0 {} 0.0 0.3890 0 {} 0 102 {} 8.32050 0.01869 0.01162 ++ 0.0 {} {} 8.61977 0.05877 0.04766 ++ 0.0 {} {} 121.70486 0.29101 0.18083 ++ 0.0 {} 0.0 0.5009 0 {} 0 103 {25.HN} 8.31978 0.02856 0.06695 ++ 0.0 {} {25.HN} 8.31864 0.04825 0.24372 ++ 0.0 {} {25.N} 121.59620 0.33418 0.92009 ++ 0.0 {} 0.0 45.6444 0 {} 0 104 {} 8.32018 0.02235 0.02344 ++ 0.0 {} {} 8.10883 0.02908 0.03026 ++ 0.0 {} {} 121.57149 0.40157 0.41793 ++ 0.0 {} 0.0 0.7198 0 {} 0 105 {} 8.32082 0.01054 0.01505 ++ 0.0 {} {} 7.66758 0.05961 0.04303 ++ 0.0 {} {} 121.63616 0.33193 0.22322 ++ 0.0 {} 0.52009999752 0.5201 0 {} 0 106 {} 9.01175 0.02623 0.06405 ++ 0.0 {} {} 9.01019 0.06117 0.25965 ++ 0.0 {} {} 120.34496 0.33226 0.90850 ++ 0.0 {} 0.0 36.1583 0 {} 0 107 {} 9.01198 0.01335 0.01908 ++ 0.0 {} {} 8.79986 0.02480 0.01814 ++ 0.0 {} {} 120.34533 0.29512 0.21581 ++ 0.0 {} 0.0 0.5442 0 {} 0 108 {} 8.55651 0.04751 0.09414 ++ 0.0 {} {} 8.55468 0.06660 0.22042 ++ 0.0 {} {} 120.71024 0.26992 0.65424 ++ 0.0 {} 0.0 6.7859 0 {} 0 109 {19.HN} 7.59453 0.02467 0.03578 ++ 0.0 {} {18.HN} 8.48985 0.06815 0.09021 ++ 0.0 {} {19.N} 120.34757 0.32277 0.48711 ++ 0.0 {} 0.0 1.4068 0 {} 0 110 {13.HN} 9.01143 0.02123 0.02112 ++ 0.0 {} {14.HN} 8.15106 0.05429 0.05397 ++ 0.0 {} {13.N} 120.31509 0.32028 0.31815 ++ 0.0 {} 0.0 0.6859 0 {} 0 111 {15.HN} 8.16428 0.03136 0.07182 ++ 0.0 {} {15.HN} 8.16322 0.03448 0.08570 ++ 0.0 {} {15.N} 120.72894 0.27360 0.97280 ++ 0.0 {} 0.0 40.6270 0 {} 0 112 {} 8.16258 0.02584 0.02577 ++ 0.0 {} {} 7.95717 0.03971 0.03956 ++ 0.0 {} {} 120.75378 0.25240 0.25149 ++ 0.0 {} 0.0 0.6880 0 {} 0 113 {15.HN} 8.16313 0.02825 0.03145 ++ 0.0 {} {16.HN} 7.54312 0.06687 0.07654 ++ 0.0 {} {15.N} 120.75123 0.25769 0.30469 ++ 0.0 {} 0.0 0.8445 0 {} 0 114 {} 7.59547 0.02360 0.03648 ++ 0.0 {} {} 7.67355 0.03120 0.06445 ++ 0.0 {} {} 120.38685 0.28886 0.56256 ++ 0.0 {} 0.0 2.6749 0 {} 0 115 {} 7.59508 0.02442 0.06298 ++ 0.0 {} {} 7.59251 0.03268 0.10742 ++ 0.0 {} {} 120.36143 0.31058 0.92494 ++ 0.0 {} 0.0 42.1164 0 {} 0 116 {13.HN} 9.01116 0.02251 0.02836 ++ 0.0 {} {12.HN} 7.50541 0.06069 0.07415 ++ 0.0 {} {13.N} 120.35252 0.28654 0.37908 ++ 0.0 {} 0.0 1.0198 0 {} 0 117 {} 7.34941 0.01245 0.01778 ++ 0.0 {} {} 7.43347 0.05356 0.04804 ++ 0.0 {} {} 120.63354 0.29234 0.25043 ++ 0.0 {} 0.0 0.6039 0 {} 0 118 {} 7.34908 0.02980 0.09011 ++ 0.0 {} {} 7.34821 0.05252 0.21992 ++ 0.0 {} {} 120.60646 0.33178 0.89814 ++ 0.0 {} 0.0 9.6256 0 {} 0 119 {} 7.59574 0.02437 0.04641 ++ 0.0 {} {} 7.51994 0.03487 0.06445 ++ 0.0 {} {} 120.36916 0.29078 0.71988 ++ 0.0 {} 0.0 4.9219 0 {} 0 120 {} 7.59559 0.00722 0.01032 ++ 0.0 {} {} 7.38305 0.01860 0.00781 ++ 0.0 {} {} 120.33308 0.37169 0.15594 ++ 0.0 {} 0.0 0.4369 0 {} 0 121 {12.HN} 7.51018 0.01356 0.01937 ++ 0.0 {} {13.HN} 9.00824 0.05734 0.05054 ++ 0.0 {} {12.N} 119.89186 0.23504 0.18504 ++ 0.0 {} 0.0 0.5694 0 {} 0 122 {24.HN} 8.61560 0.03864 0.09153 ++ 0.0 {} {24.HN} 8.61590 0.03801 0.23742 ++ 0.0 {} {24.N} 119.30313 0.33467 0.93591 ++ 0.0 {} 0.0 35.6275 0 {} 0 123 {} 8.61736 0.01486 0.00904 ++ 0.0 {} {} 8.41427 0.03328 0.02024 ++ 0.0 {} {} 119.29315 0.25166 0.15302 ++ 0.0 {} 0.0 0.4961 0 {} 0 124 {24.HN} 8.61554 0.02300 0.03133 ++ 0.0 {} {25.HN} 8.31505 0.07315 0.09440 ++ 0.0 {} {24.N} 119.28915 0.33182 0.44176 ++ 0.0 {} 0.0 1.0326 0 {} 0 125 {} 7.66531 0.02052 0.02541 ++ 0.0 {} {} 8.31867 0.07008 0.07949 ++ 0.0 {} {} 119.42589 0.34663 0.41863 ++ 0.0 {} 0.0 0.8715 0 {} 0 126 {} 7.71170 0.03034 0.09752 ++ 0.0 {} {} 7.71114 0.03727 0.22432 ++ 0.0 {} {} 119.57614 0.42373 0.97081 ++ 0.0 {} 0.0 18.1418 0 {} 0 127 {26.HN} 7.66554 0.02411 0.09965 ++ 0.0 {} {26.HN} 7.66601 0.03118 0.08537 ++ 0.0 {} {26.N} 119.44913 0.26526 0.86402 ++ 0.0 {} 0.0 25.8220 0 {} 0 128 {24.HN} 8.61699 0.01907 0.02556 ++ 0.0 {} {23.HN} 7.49845 0.06289 0.07341 ++ 0.0 {} {24.N} 119.30256 0.29580 0.36950 ++ 0.0 {} 0.0 0.9196 0 {} 0 129 {} 7.50868 0.03062 0.07705 ++ 0.0 {} {} 7.50637 0.06215 0.24969 ++ 0.0 {} {} 119.90696 0.27648 0.83788 ++ 0.0 {} 0.0 22.5254 0 {} 0 130 {} 7.51263 0.00215 0.00307 ++ 0.0 {} {} 7.28772 0.00445 0.00636 ++ 0.0 {} {} 119.94655 0.25970 0.03733 ++ 0.0 {} 0.0 0.3720 0 {} 0 131 {} 7.66748 0.01827 0.00402 ++ 0.0 {} {} 7.45394 0.00759 0.01084 ++ 0.0 {} {} 119.51369 0.32709 0.07197 ++ 0.0 {} 0.0 0.3879 0 {} 0 132 {14.HN} 8.15456 0.02343 0.02168 ++ 0.0 {} {13.HN} 9.01279 0.04875 0.04554 ++ 0.0 {} {14.N} 118.80634 0.29404 0.27054 ++ 0.0 {} 0.0 0.6394 0 {} 0 133 {} 8.31761 0.00216 0.00308 ++ 0.0 {} {} 8.32348 0.01741 0.00215 ++ 0.0 {} {} 118.29371 0.27768 0.03433 ++ 0.0 {} 0.0 0.3680 0 {} 0 134 {14.HN} 8.15611 0.03397 0.07374 ++ 0.0 {} {14.HN} 8.15594 0.06987 0.12558 ++ 0.0 {} {14.N} 118.84989 0.35836 0.96831 ++ 0.0 {} 0.0 34.6625 0 {} 0 135 {} 8.15600 0.01492 0.00779 ++ 0.0 {} {} 7.94749 0.02239 0.03199 ++ 0.0 {} {} 118.80264 0.22971 0.32815 ++ 0.0 {} 0.0 0.4671 0 {} 0 136 {} 8.17967 0.01944 0.05622 ++ 0.0 {} {} 8.17597 0.03212 0.10742 ++ 0.0 {} {} 118.32937 0.42637 0.93739 ++ 0.0 {} 0.0 27.2411 0 {} 0 137 {6.HN} 8.17964 0.01481 0.01805 ++ 0.0 {} {7.HN} 7.96843 0.05315 0.06468 ++ 0.0 {} {6.N} 118.33668 0.33816 0.41218 ++ 0.0 {} 0.0 0.8840 0 {} 0 138 {} 8.15887 0.01835 0.00236 ++ 0.0 {} {} 7.84737 0.00391 0.00558 ++ 0.0 {} {} 118.81727 0.07378 0.10540 ++ 0.0 {} 0.0 0.3690 0 {} 0 139 {} 8.17933 0.01439 0.00288 ++ 0.0 {} {} 7.86281 0.00741 0.01058 ++ 0.0 {} {} 118.35839 0.31475 0.06301 ++ 0.0 {} 0.0 0.3836 0 {} 0 140 {} 8.17891 0.01622 0.01458 ++ 0.0 {} {} 7.72200 0.07219 0.06537 ++ 0.0 {} {} 118.32153 0.39008 0.35070 ++ 0.0 {} 0.627200007439 0.6272 0 {} 0 141 {30.HN} 7.74783 0.02047 0.05652 ++ 0.0 {} {30.HN} 7.74629 0.03101 0.10742 ++ 0.0 {} {30.N} 118.83176 0.37838 0.92864 ++ 0.0 {} 0.0 30.1678 0 {} 0 142 {} 7.74884 0.00109 0.00155 ++ 0.0 {} {} 7.54561 0.00376 0.00537 ++ 0.0 {} {} 118.88023 0.38450 0.02307 ++ 0.0 {} 0.0 0.3559 0 {} 0 143 {22.HN} 8.63453 0.03353 0.06976 ++ 0.0 {} {22.HN} 8.63484 0.03217 0.08443 ++ 0.0 {} {22.N} 116.09786 0.34539 0.93238 ++ 0.0 {} 0.0 43.3391 0 {} 0 144 {} 7.50003 0.02403 0.02974 ++ 0.0 {} {} 8.62522 0.05301 0.06617 ++ 0.0 {} {} 115.89523 0.29374 0.37637 ++ 0.0 {} 0.0 0.9607 0 {} 0 145 {} 8.63424 0.01633 0.01711 ++ 0.0 {} {} 8.42807 0.04154 0.04370 ++ 0.0 {} {} 116.09293 0.32804 0.34361 ++ 0.0 {} 0.0 0.7249 0 {} 0 146 {} 8.63380 0.01574 0.00683 ++ 0.0 {} {} 8.32545 0.02740 0.01189 ++ 0.0 {} {} 116.07944 0.15670 0.22386 ++ 0.0 {} 0.0 0.4409 0 {} 0 147 {22.HN} 8.63358 0.00912 0.01302 ++ 0.0 {} {21.HN} 7.90540 0.02200 0.03143 ++ 0.0 {} {22.N} 116.11208 0.30290 0.17021 ++ 0.0 {} 0.0 0.4802 0 {} 0 148 {22.HN} 8.63481 0.01652 0.01692 ++ 0.0 {} {23.HN} 7.48638 0.05380 0.05472 ++ 0.0 {} {22.N} 116.09511 0.29269 0.29977 ++ 0.0 {} 0.0 0.7076 0 {} 0 149 {} 7.50086 0.03488 0.07782 ++ 0.0 {} {} 7.50008 0.04188 0.23306 ++ 0.0 {} {} 115.94229 0.26185 0.79188 ++ 0.0 {} 0.0 26.5057 0 {} 0 150 {} 8.94209 0.03385 0.08787 ++ 0.0 {} {} 8.94182 0.06256 0.24152 ++ 0.0 {} {} 114.73336 0.28243 0.84591 ++ 0.0 {} 0.0 8.1521 0 {} 0 151 {11.HN} 7.87448 0.02311 0.07272 ++ 0.0 {} {11.HN} 7.87374 0.03942 0.25627 ++ 0.0 {} {11.N} 114.87856 0.29842 0.92083 ++ 0.0 {} 0.0 19.9020 0 {} 0 152 {} 7.72254 0.02763 0.07455 ++ 0.0 {} {} 7.72093 0.06238 0.25261 ++ 0.0 {} {} 114.69966 0.26804 0.99493 ++ 0.0 {} 0.0 22.3049 0 {} 0 153 {11.HN} 7.87202 0.00672 0.00960 ++ 0.0 {} {12.HN} 7.52598 0.02691 0.03844 ++ 0.0 {} {11.N} 114.83926 0.39638 0.19339 ++ 0.0 {} 0.0 0.4566 0 {} 0 154 {5.HN} 7.72348 0.02796 0.01976 ++ 0.0 {} {4.HN} 7.35679 0.05118 0.07312 ++ 0.0 {} {5.N} 114.73260 0.27565 0.18282 ++ 0.0 {} 0.0 0.5165 0 {} 0 155 {} 8.32060 0.03149 0.07357 ++ 0.0 {} {} 8.31917 0.05096 0.24156 ++ 0.0 {} {} 114.08826 0.36001 0.91034 ++ 0.0 {} 0.0 34.1749 0 {} 0 156 {27.HN} 8.32058 0.02167 0.04716 ++ 0.0 {} {28.HN} 8.24678 0.04512 0.06445 ++ 0.0 {} {27.N} 114.09219 0.34044 0.77987 ++ 0.0 {} 0.0 3.9633 0 {} 0 157 {} 8.32211 0.02531 0.02287 ++ 0.0 {} {} 8.10923 0.03423 0.03105 ++ 0.0 {} {} 114.06329 0.41929 0.38038 ++ 0.0 {} 0.631900012493 0.6319 0 {} 0 158 {27.HN} 8.32111 0.02226 0.02411 ++ 0.0 {} {26.HN} 7.65847 0.05275 0.05709 ++ 0.0 {} {27.N} 114.09766 0.33757 0.36004 ++ 0.0 {} 0.0 0.7397 0 {} 0 159 {29.HN} 7.78387 0.03357 0.07471 ++ 0.0 {} {29.HN} 7.78191 0.05225 0.24546 ++ 0.0 {} {29.N} 110.82887 0.39678 0.93965 ++ 0.0 {} 0.0 31.6161 0 {} 0 160 {} 7.78335 0.02398 0.02866 ++ 0.0 {} {} 7.56324 0.06504 0.08350 ++ 0.0 {} {} 110.80622 0.30836 0.38484 ++ 0.0 {} 0.0 0.9183 0 {} 0 161 {17.HN} 8.10248 0.02683 0.03150 ++ 0.0 {} {18.HN} 8.48538 0.06075 0.06770 ++ 0.0 {} {17.N} 109.59157 0.31378 0.37859 ++ 0.0 {} 0.0 0.8702 0 {} 0 162 {17.HN} 8.10014 0.02215 0.05663 ++ 0.0 {} {17.HN} 8.09923 0.03611 0.23648 ++ 0.0 {} {17.N} 109.60503 0.33172 0.90603 ++ 0.0 {} 0.0 42.1425 0 {} 0 163 {} 8.09949 0.01917 0.02093 ++ 0.0 {} {} 7.89070 0.03687 0.03972 ++ 0.0 {} {} 109.61604 0.32868 0.35413 ++ 0.0 {} 0.748399972916 0.7484 0 {} 0 164 {17.HN} 8.10076 0.02132 0.03123 ++ 0.0 {} {16.HN} 7.53972 0.07257 0.09706 ++ 0.0 {} {17.N} 109.60717 0.32070 0.45045 ++ 0.0 {} 0.0 1.1597 0 {} 0 165 {7.HN} 7.94954 0.03272 0.03042 ++ 0.0 {} {6.HN} 8.16291 0.03728 0.03365 ++ 0.0 {} {7.N} 105.38513 0.38811 0.35037 ++ 0.0 {} 0.0 0.6293 0 {} 0 166 {} 7.94963 0.03453 0.07820 ++ 0.0 {} {} 7.94923 0.04072 0.24022 ++ 0.0 {} {} 105.38908 0.29453 0.88807 ++ 0.0 {} 0.0 23.5625 0 {} 0 167 {} 7.53713 0.03014 0.02417 ++ 0.0 {} {} 8.13643 0.07944 0.06224 ++ 0.0 {} {} 105.89358 0.38406 0.28269 ++ 0.0 {} 0.0 0.5463 0 {} 0 168 {} 7.94318 0.00648 0.00926 ++ 0.0 {} {} 7.74386 0.00919 0.01312 ++ 0.0 {} {} 105.42400 0.36921 0.09872 ++ 0.0 {} 0.0 0.3985 0 {} 0 169 {16.HN} 7.53696 0.03159 0.07539 ++ 0.0 {} {16.HN} 7.53648 0.03260 0.22566 ++ 0.0 {} {16.N} 105.91898 0.27178 0.90683 ++ 0.0 {} 0.0 22.3873 0 {} 0 170 {10.HN} 8.53576 0.03350 0.06971 ++ 0.0 {} {10.HN} 8.53427 0.05310 0.25067 ++ 0.0 {} {10.N} 104.54295 0.29933 0.90590 ++ 0.0 {} 0.0 27.1861 0 {} 0 171 {10.HN} 8.53564 0.01198 0.01712 ++ 0.0 {} {25.HN} 8.32507 0.02927 0.02123 ++ 0.0 {} {10.N} 104.52857 0.26308 0.19078 ++ 0.0 {} 0.0 0.5416 0 {} 0 172 {10.HN} 8.53558 0.00560 0.00800 ++ 0.0 {} {11.HN} 7.86906 0.02099 0.02998 ++ 0.0 {} {10.N} 104.56791 0.38417 0.15337 ++ 0.0 {} 0.0 0.4313 0 {} 0 173 {18.HN} 8.48245 0.02777 0.06102 ++ 0.0 {} {18.HN} 8.48280 0.03329 0.10742 ++ 0.0 {} {18.N} 103.42226 0.26069 0.90493 ++ 0.0 {} 0.0 24.4264 0 {} 0 174 {18.HN} 8.48284 0.02843 0.03002 ++ 0.0 {} {17.HN} 8.10882 0.09159 0.09696 ++ 0.0 {} {18.N} 103.39102 0.29686 0.31867 ++ 0.0 {} 0.0 0.7453 0 {} 0 175 {18.HN} 8.48270 0.02974 0.02428 ++ 0.0 {} {19.HN} 7.58547 0.08295 0.06912 ++ 0.0 {} {18.N} 103.39900 0.39461 0.28703 ++ 0.0 {} 0.0 0.5426 0 {} 0 176 {3.HN} 7.71246 0.02566 0.03023 ++ 0.0 {} {2.HA} 4.39115 0.04200 0.05097 ++ 0.0 {} {3.N} 119.57736 0.38544 0.44977 ++ 0.0 {} 0.0 0.3142 0 {} 0 177 {} 7.72326 0.02755 0.02816 ++ 0.0 {} {} 8.17776 0.06025 0.06135 ++ 0.0 {} {} 114.82969 0.63407 0.64870 ++ 0.0 {} 0.0 0.2715 0 {} 0 178 {4.HN} 7.35030 0.03405 0.03398 ++ 0.0 {} {5.HN} 7.72964 0.05545 0.05530 ++ 0.0 {} {4.N} 120.62196 0.43238 0.43097 ++ 0.0 {} 0.0 0.2609 0 {} 0 179 {} 8.13926 0.01687 0.01971 ++ 0.0 {} {} 7.83136 0.03298 0.03844 ++ 0.0 {} {} 125.63978 0.34427 0.40124 ++ 0.0 {} 0.0 0.3137 0 {} 0 180 {} 8.13851 0.01288 0.01451 ++ 0.0 {} {} 7.72525 0.03186 0.03590 ++ 0.0 {} {} 125.61689 0.41307 0.46541 ++ 0.0 {} 0.299800008535 0.2998 0 {} 0 181 {9.HN} 8.94268 0.02226 0.02500 ++ 0.0 {} {10.HN} 8.54770 0.06188 0.06649 ++ 0.0 {} {9.N} 114.63772 0.30633 0.33383 ++ 0.0 {} 0.0 0.2876 0 {} 0 182 {9.HN} 8.94307 0.03359 0.03175 ++ 0.0 {} {8.HN} 8.14383 0.08176 0.07816 ++ 0.0 {} {9.N} 114.70509 0.34464 0.31885 ++ 0.0 {} 0.0 0.2436 0 {} 0 183 {11.HN} 7.87013 0.02578 0.03001 ++ 0.0 {} {10.HN} 8.52751 0.05890 0.07035 ++ 0.0 {} {11.N} 114.85503 0.29851 0.36281 ++ 0.0 {} 0.0 0.3337 0 {} 0 184 {} 7.87610 0.01765 0.02230 ++ 0.0 {} {} 7.65617 0.03499 0.04261 ++ 0.0 {} {} 114.90683 0.21914 0.26690 ++ 0.0 {} 0.0 0.3347 0 {} 0 185 {} 7.53794 0.02336 0.02863 ++ 0.0 {} {} 7.32208 0.03923 0.05744 ++ 0.0 {} {} 105.90219 0.26139 0.33387 ++ 0.0 {} 0.0 0.3622 0 {} 0 186 {} 7.53062 0.01769 0.01642 ++ 0.0 {} {} 7.22286 0.05487 0.04884 ++ 0.0 {} {} 105.82014 0.48658 0.45179 ++ 0.0 {} 0.0 0.2443 0 {} 0 187 {} 8.10305 0.02779 0.03149 ++ 0.0 {} {} 7.78169 0.03712 0.04690 ++ 0.0 {} {} 109.71418 0.39198 0.48044 ++ 0.0 {} 0.0 0.3381 0 {} 0 188 {} 8.09810 0.01372 0.01272 ++ 0.0 {} {} 7.68331 0.03570 0.03308 ++ 0.0 {} {} 109.50199 0.34270 0.31752 ++ 0.0 {} 0.0 0.2439 0 {} 0 189 {} 8.48397 0.01956 0.02707 ++ 0.0 {} {} 8.27078 0.04456 0.07293 ++ 0.0 {} {} 103.33760 0.42425 0.52837 ++ 0.0 {} 0.0 0.3548 0 {} 0 190 {} 7.59648 0.02534 0.02430 ++ 0.0 {} {} 7.17926 0.03896 0.03594 ++ 0.0 {} {} 120.37273 0.42757 0.39437 ++ 0.0 {} 0.0 0.2429 0 {} 0 191 {} 7.88959 0.01688 0.01947 ++ 0.0 {} {} 7.62333 0.03468 0.04001 ++ 0.0 {} {} 125.10695 0.23314 0.26896 ++ 0.0 {} 0.0 0.3093 0 {} 0 192 {} 7.89490 0.01741 0.02052 ++ 0.0 {} {} 7.58433 0.07394 0.08247 ++ 0.0 {} {} 125.22929 0.26043 0.29882 ++ 0.0 {} 0.0 0.3071 0 {} 0 193 {} 7.49973 0.02683 0.02630 ++ 0.0 {} {} 7.09237 0.06881 0.06797 ++ 0.0 {} {} 115.81647 0.52360 0.50859 ++ 0.0 {} 0.0 0.2574 0 {} 0 194 {} 8.32232 0.01946 0.02638 ++ 0.0 {} {} 8.00609 0.02523 0.03043 ++ 0.0 {} {} 121.60165 0.44695 0.56637 ++ 0.0 {} 0.0 0.3296 0 {} 0 195 {} 7.78027 0.02993 0.02760 ++ 0.0 {} {} 8.20691 0.02985 0.04264 ++ 0.0 {} {} 111.00199 0.48840 0.43682 ++ 0.0 {} 0.0 0.2368 0 {} 0 196 {} 7.78035 0.01832 0.01978 ++ 0.0 {} {} 7.37738 0.08167 0.10742 ++ 0.0 {} {} 110.85736 0.37724 0.40570 ++ 0.0 {} 0.0 0.2832 0 {} 0 197 {4.HN} 7.34791 0.02155 0.02167 ++ 0.0 {} {4.HA} 4.03203 0.04313 0.04339 ++ 0.0 {} {4.N} 120.54552 0.56966 0.57244 ++ 0.0 {} 0.0 0.2131 0 {} 0 198 {} 7.35692 0.01838 0.01574 ++ 0.0 {} {} 3.35809 0.07823 0.06576 ++ 0.0 {} {} 120.80157 0.32132 0.27524 ++ 0.0 {} 0.0 0.1852 0 {} 0 199 {} 7.34180 0.03633 0.02599 ++ 0.0 {} {} 1.74689 0.02767 0.03953 ++ 0.0 {} {} 120.52028 0.23126 0.33037 ++ 0.0 {} 0.0 0.1448 0 {} 0 200 {} 7.72302 0.02653 0.02986 ++ 0.0 {} {} 4.03323 0.04633 0.05507 ++ 0.0 {} {} 114.78837 0.42211 0.48881 ++ 0.0 {} 0.0 0.3109 0 {} 0 201 {6.HN} 8.17890 0.01917 0.01976 ++ 0.0 {} {5.HA} 4.25329 0.05014 0.05130 ++ 0.0 {} {6.N} 118.32085 0.50827 0.52151 ++ 0.0 {} 0.0 0.2688 0 {} 0 202 {} 8.54265 0.02484 0.02367 ++ 0.0 {} {} 3.72114 0.05324 0.04982 ++ 0.0 {} {} 104.54989 0.42138 0.38436 ++ 0.0 {} 0.240600004792 0.2406 0 {} 0 203 {} 7.87671 0.01151 0.01240 ++ 0.0 {} {} 4.75931 0.02746 0.02957 ++ 0.0 {} {} 115.05566 0.28578 0.30770 ++ 0.0 {} 0.0 0.2835 0 {} 0 204 {} 8.95090 0.03527 0.04091 ++ 0.0 {} {} 3.15615 0.05160 0.06004 ++ 0.0 {} {} 114.73040 0.34820 0.41817 ++ 0.0 {} 0.0 0.2503 0 {} 0 ; save_ save_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_2 _Spectral_peak_list.Entry_ID 17495 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $Trnb _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID . _Spectral_peak_list.Experiment_name . _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf H H-ind C13 gnoesyChsqcA_trnb.nv 12001.2001953 6599.57080078 12068.1845703 599.934020996 599.934020996 150.85899353 H.L H.P H.W H.B H.E H.J H.U H-ind.L H-ind.P H-ind.W H-ind.B H-ind.E H-ind.J H-ind.U C13.L C13.P C13.W C13.B C13.E C13.J C13.U vol int stat comment flag0 0 {} 4.43917 0.00728 0.01039 ++ 0.0 {} {} 7.89129 0.01674 0.02391 ++ 0.0 {} {} 77.40767 1.77577 0.38863 ++ 0.0 {} 0.0 0.1331 0 {} 0 1 {} 4.43864 0.04033 0.05193 ++ 0.0 {} {} 8.63648 0.06734 0.09314 ++ 0.0 {} {} 76.91271 2.01027 3.15199 ++ 0.0 {} 0.0 0.4548 0 {} 0 2 {} 4.10939 0.02031 0.02901 ++ 0.0 {} {} 7.88235 0.02775 0.03964 ++ 0.0 {} {} 68.96184 2.34831 1.38767 ++ 0.0 {} 0.0 0.1682 0 {} 0 3 {} 3.77681 0.03219 0.02110 ++ 0.0 {} {} 7.88235 0.07832 0.04927 ++ 0.0 {} {} 67.69453 2.49123 1.33128 ++ 0.0 {} 0.0 0.1617 0 {} 0 4 {} 4.10664 0.00526 0.00752 ++ 0.0 {} {} 7.51610 0.00431 0.00616 ++ 0.0 {} {} 68.57186 1.13925 0.13936 ++ 0.0 {} 0.0 0.1262 0 {} 0 5 {12.HA} 3.60518 0.00540 0.00772 ++ 0.0 {} {15.HN} 8.16498 0.00839 0.01199 ++ 0.0 {} {12.CA} 66.48279 2.09793 0.26472 ++ 0.0 {} 0.0 0.1265 0 {} 0 6 {6.HA} 3.54681 0.01360 0.01943 ++ 0.0 {} {6.HN} 8.17410 0.05672 0.04467 ++ 0.0 {} {6.CA} 66.98456 1.94143 1.39702 ++ 0.0 {} 0.0 0.1851 0 {} 0 7 {19.HA} 3.81228 0.03100 0.02573 ++ 0.0 {} {19.HN} 7.59293 0.05664 0.04934 ++ 0.0 {} {19.CA} 65.62907 2.44273 2.00863 ++ 0.0 {} 0.0 0.2013 0 {} 0 8 {} 3.33677 0.01019 0.01456 ++ 0.0 {} {} 7.71262 0.01185 0.01692 ++ 0.0 {} {} 65.39183 0.50547 0.72210 ++ 0.0 {} 0.0 0.1346 0 {} 0 9 {12.HA} 3.60466 0.02430 0.02050 ++ 0.0 {} {12.HN} 7.51007 0.06047 0.05102 ++ 0.0 {} {12.CA} 66.65657 1.59033 2.27189 ++ 0.0 {} 0.0 0.1962 0 {} 0 10 {} 3.66549 0.03133 0.02623 ++ 0.0 {} {} 9.01563 0.06291 0.05390 ++ 0.0 {} {} 63.30356 2.15018 1.72826 ++ 0.0 {} 0.0 0.1981 0 {} 0 11 {27.HB1} 4.13649 0.01098 0.01568 ++ 0.0 {} {27.HN} 8.32300 0.02351 0.03359 ++ 0.0 {} {27.CB} 63.10946 2.06576 0.77796 ++ 0.0 {} 0.0 0.1460 0 {} 0 12 {} 3.94298 0.01088 0.01554 ++ 0.0 {} {} 8.31631 0.02713 0.03875 ++ 0.0 {} {} 62.60328 1.80779 0.63950 ++ 0.0 {} 0.0 0.1440 0 {} 0 13 {} 3.66862 0.00764 0.01091 ++ 0.0 {} {} 7.90117 0.00891 0.01272 ++ 0.0 {} {} 63.19857 1.76885 0.32228 ++ 0.0 {} 0.0 0.1304 0 {} 0 14 {} 3.79049 0.02790 0.02816 ++ 0.0 {} {} 8.63215 0.05765 0.05812 ++ 0.0 {} {} 60.01556 1.92207 1.94313 ++ 0.0 {} 0.0 0.2397 0 {} 0 15 {29.HA} 4.17740 0.04845 0.04232 ++ 0.0 {} {29.HN} 7.77972 0.07167 0.06130 ++ 0.0 {} {29.CA} 60.41241 1.66959 2.38513 ++ 0.0 {} 0.0 0.1956 0 {} 0 16 {5.HA} 4.25387 0.02023 0.02889 ++ 0.0 {} {5.HN} 7.72781 0.01715 0.02450 ++ 0.0 {} {5.CA} 60.61975 2.13605 0.94120 ++ 0.0 {} 0.0 0.1520 0 {} 0 17 {} 4.17611 0.00230 0.00329 ++ 0.0 {} {} 7.54833 0.00309 0.00442 ++ 0.0 {} {} 60.39899 0.11573 0.16533 ++ 0.0 {} 0.0 0.1219 0 {} 0 18 {14.HA} 4.02190 0.03196 0.03357 ++ 0.0 {} {14.HN} 8.15436 0.06409 0.06779 ++ 0.0 {} {14.CA} 58.34166 1.64350 1.76496 ++ 0.0 {} 0.0 0.2559 0 {} 0 19 {24.HA} 4.01269 0.03120 0.02433 ++ 0.0 {} {24.HN} 8.62330 0.07077 0.05613 ++ 0.0 {} {24.CA} 55.75357 1.91253 1.34681 ++ 0.0 {} 0.0 0.1829 0 {} 0 20 {} 4.08122 0.04589 0.05066 ++ 0.0 {} {} 8.14774 0.08547 0.09652 ++ 0.0 {} {} 55.14748 1.90588 2.17250 ++ 0.0 {} 0.0 0.2756 0 {} 0 21 {} 4.26859 0.01245 0.01778 ++ 0.0 {} {} 7.66816 0.02871 0.04101 ++ 0.0 {} {} 55.30232 2.28119 1.07517 ++ 0.0 {} 0.0 0.1551 0 {} 0 22 {30.HA} 4.30256 0.01208 0.01725 ++ 0.0 {} {30.HN} 7.75147 0.02261 0.03230 ++ 0.0 {} {30.CA} 53.92039 2.38638 0.96478 ++ 0.0 {} 0.0 0.1485 0 {} 0 23 {} 4.03260 0.01128 0.01612 ++ 0.0 {} {} 7.35590 0.01827 0.02610 ++ 0.0 {} {} 53.83541 2.04298 0.70854 ++ 0.0 {} 0.0 0.1434 0 {} 0 24 {10.HA1} 3.85332 0.05375 0.06740 ++ 0.0 {} {10.HN} 8.53211 0.07900 0.10200 ++ 0.0 {} {10.CA} 47.75559 2.29419 3.29095 ++ 0.0 {} 0.0 0.3874 0 {} 0 25 {} 3.57419 0.03755 0.03801 ++ 0.0 {} {} 8.53448 0.08059 0.08164 ++ 0.0 {} {} 47.61870 2.18777 2.22581 ++ 0.0 {} 0.0 0.2412 0 {} 0 26 {} 4.28254 0.03868 0.03233 ++ 0.0 {} {} 8.48967 0.07269 0.06133 ++ 0.0 {} {} 46.03135 1.63317 1.26588 ++ 0.0 {} 0.0 0.1935 0 {} 0 27 {20.HA2} 3.49415 0.04903 0.05968 ++ 0.0 {} {20.HN} 8.49330 0.06628 0.08479 ++ 0.0 {} {20.CA} 46.07307 1.65270 2.30104 ++ 0.0 {} 0.0 0.3900 0 {} 0 28 {17.HA1} 4.00491 0.03094 0.03831 ++ 0.0 {} {17.HN} 8.10126 0.07161 0.08806 ++ 0.0 {} {17.CA} 46.59446 2.77142 3.60850 ++ 0.0 {} 0.0 0.3471 0 {} 0 29 {17.HA2} 3.85008 0.04132 0.05044 ++ 0.0 {} {17.HN} 8.10396 0.08045 0.09527 ++ 0.0 {} {17.CA} 46.59869 2.27220 2.87345 ++ 0.0 {} 0.0 0.3239 0 {} 0 30 {7.QA} 3.75797 0.06127 0.08269 ++ 0.0 {} {7.HN} 7.94886 0.07434 0.10138 ++ 0.0 {} {7.CA} 46.87461 2.06622 3.05987 ++ 0.0 {} 0.0 0.4032 0 {} 0 31 {28.HB1} 3.16850 0.04224 0.04653 ++ 0.0 {} {28.HN} 8.20044 0.06247 0.06961 ++ 0.0 {} {28.CB} 45.01979 1.83354 2.07994 ++ 0.0 {} 0.0 0.2738 0 {} 0 32 {28.HB2} 2.62921 0.04841 0.04032 ++ 0.0 {} {28.HN} 8.20976 0.07937 0.07209 ++ 0.0 {} {28.CB} 45.02030 1.65044 1.42352 ++ 0.0 {} 0.0 0.2084 0 {} 0 33 {1.HA1} 3.62151 0.03247 0.01987 ++ 0.0 {} {2.HN} 8.56240 0.02129 0.03041 ++ 0.0 {} {1.CA} 43.19073 2.12370 0.77081 ++ 0.0 {} 0.0 0.1448 0 {} 0 34 {18.HA2} 3.38910 0.04601 0.05467 ++ 0.0 {} {18.HN} 8.48122 0.05795 0.07078 ++ 0.0 {} {18.CA} 44.26431 2.20366 2.85785 ++ 0.0 {} 0.0 0.3275 0 {} 0 35 {14.HB1} 1.86504 0.04304 0.04905 ++ 0.0 {} {14.HN} 8.15841 0.06069 0.06918 ++ 0.0 {} {14.CB} 41.82701 2.34862 2.80500 ++ 0.0 {} 0.0 0.2852 0 {} 0 36 {14.HB2} 1.59556 0.03907 0.03467 ++ 0.0 {} {15.HN} 8.16519 0.07659 0.06863 ++ 0.0 {} {14.CB} 41.68550 1.55370 2.21957 ++ 0.0 {} 0.0 0.2086 0 {} 0 37 {} 3.39207 0.00498 0.00712 ++ 0.0 {} {} 7.55122 0.01521 0.02172 ++ 0.0 {} {} 39.85788 1.72907 0.45866 ++ 0.0 {} 0.0 0.1366 0 {} 0 38 {} 1.79803 0.00453 0.00647 ++ 0.0 {} {} 7.75564 0.01439 0.02056 ++ 0.0 {} {} 41.89568 2.26096 0.51332 ++ 0.0 {} 0.0 0.1337 0 {} 0 39 {23.QB} 3.07283 0.02088 0.02982 ++ 0.0 {} {24.HN} 8.61860 0.07749 0.05587 ++ 0.0 {} {23.CB} 39.26231 1.11085 1.58693 ++ 0.0 {} 0.0 0.1677 0 {} 0 40 {29.HB2} 2.90655 0.04916 0.04625 ++ 0.0 {} {29.HN} 7.78339 0.07286 0.06807 ++ 0.0 {} {29.CB} 39.58119 1.88010 1.72265 ++ 0.0 {} 0.0 0.2187 0 {} 0 41 {} 2.91322 0.01219 0.01742 ++ 0.0 {} {} 7.54736 0.01868 0.02668 ++ 0.0 {} {} 39.40545 1.85097 0.56724 ++ 0.0 {} 0.0 0.1400 0 {} 0 42 {23.QB} 3.07126 0.05868 0.06552 ++ 0.0 {} {23.HN} 7.49744 0.06605 0.07404 ++ 0.0 {} {23.CB} 39.05397 2.31271 2.69068 ++ 0.0 {} 0.0 0.2827 0 {} 0 43 {9.HB1} 3.15303 0.01131 0.01616 ++ 0.0 {} {9.HN} 8.93057 0.01531 0.02187 ++ 0.0 {} {9.CB} 30.29722 0.49619 0.70884 ++ 0.0 {} 0.0 0.1358 0 {} 0 44 {} 1.95819 0.03741 0.02194 ++ 0.0 {} {} 9.00838 0.02486 0.03551 ++ 0.0 {} {} 31.64482 0.78590 1.12271 ++ 0.0 {} 0.0 0.1432 0 {} 0 45 {} 3.26505 0.00619 0.00884 ++ 0.0 {} {} 8.54530 0.01028 0.01469 ++ 0.0 {} {} 30.17078 0.43112 0.61588 ++ 0.0 {} 0.0 0.1346 0 {} 0 46 {9.HB1} 3.17145 0.05575 0.04956 ++ 0.0 {} {10.HN} 8.53728 0.07764 0.06620 ++ 0.0 {} {9.CB} 30.37318 2.43440 1.98680 ++ 0.0 {} 0.0 0.2002 0 {} 0 47 {19.HB} 2.16284 0.02473 0.03534 ++ 0.0 {} {20.HN} 8.49498 0.06672 0.04828 ++ 0.0 {} {19.CB} 32.10137 1.71272 1.09175 ++ 0.0 {} 0.0 0.1740 0 {} 0 48 {} 3.32949 0.03086 0.02061 ++ 0.0 {} {} 8.18252 0.06593 0.04321 ++ 0.0 {} {} 30.43810 1.16645 1.66636 ++ 0.0 {} 0.0 0.1667 0 {} 0 49 {} 2.94711 0.04257 0.05473 ++ 0.0 {} {} 8.18454 0.07597 0.09553 ++ 0.0 {} {} 30.29694 2.35978 3.17465 ++ 0.0 {} 0.0 0.3422 0 {} 0 50 {6.HB} 2.03882 0.04507 0.04612 ++ 0.0 {} {6.HN} 8.17559 0.06442 0.06634 ++ 0.0 {} {6.CB} 31.46822 2.38599 2.47520 ++ 0.0 {} 0.0 0.2462 0 {} 0 51 {} 2.03299 0.00104 0.00149 ++ 0.0 {} {} 7.94936 0.00223 0.00319 ++ 0.0 {} {} 31.62480 0.07297 0.10425 ++ 0.0 {} 0.0 0.1209 0 {} 0 52 {5.HB1} 3.33369 0.03852 0.03424 ++ 0.0 {} {5.HN} 7.72158 0.05764 0.05179 ++ 0.0 {} {5.CB} 30.38342 2.86176 2.51611 ++ 0.0 {} 0.0 0.2068 0 {} 0 53 {} 1.75594 0.02625 0.03749 ++ 0.0 {} {} 7.71269 0.06916 0.05524 ++ 0.0 {} {} 31.60788 2.25693 1.62860 ++ 0.0 {} 0.0 0.1854 0 {} 0 54 {19.HB} 2.16690 0.03864 0.04315 ++ 0.0 {} {19.HN} 7.59189 0.06823 0.07486 ++ 0.0 {} {19.CB} 31.99386 1.93190 2.19541 ++ 0.0 {} 0.0 0.2745 0 {} 0 55 {12.HB} 1.95551 0.04559 0.05198 ++ 0.0 {} {12.HN} 7.51102 0.05983 0.06761 ++ 0.0 {} {12.CB} 31.19683 1.80951 2.10126 ++ 0.0 {} 0.0 0.2826 0 {} 0 56 {13.HB2} 2.94096 0.02363 0.03375 ++ 0.0 {} {13.HN} 9.00903 0.06721 0.05336 ++ 0.0 {} {13.CB} 29.54873 2.01636 1.42423 ++ 0.0 {} 0.0 0.1832 0 {} 0 57 {22.QB} 1.85283 0.03797 0.05117 ++ 0.0 {} {22.HN} 8.63443 0.06381 0.08098 ++ 0.0 {} {22.CB} 27.94677 2.52535 3.27479 ++ 0.0 {} 0.0 0.3703 0 {} 0 58 {25.MB} 1.83502 0.02643 0.03726 ++ 0.0 {} {25.HN} 8.31967 0.07258 0.09862 ++ 0.0 {} {25.CB} 28.10807 2.15253 3.31844 ++ 0.0 {} 0.0 0.4497 0 {} 0 59 {22.QB} 1.85408 0.03371 0.02107 ++ 0.0 {} {23.HN} 7.49846 0.02495 0.03564 ++ 0.0 {} {22.CB} 27.91223 0.91586 1.30837 ++ 0.0 {} 0.0 0.1528 0 {} 0 60 {} 1.04432 0.02628 0.03071 ++ 0.0 {} {} 7.50507 0.06469 0.07352 ++ 0.0 {} {} 22.84040 2.41475 2.86553 ++ 0.0 {} 0.0 0.2916 0 {} 0 61 {6.MG1} 0.96627 0.02460 0.02304 ++ 0.0 {} {6.HN} 8.17612 0.06114 0.05814 ++ 0.0 {} {6.CG1} 22.08849 2.01003 1.88519 ++ 0.0 {} 0.0 0.2232 0 {} 0 62 {19.MG1} 1.12812 0.02864 0.03939 ++ 0.0 {} {19.HN} 7.59233 0.06371 0.08484 ++ 0.0 {} {19.CG1} 21.85187 2.13207 3.25466 ++ 0.0 {} 0.0 0.4372 0 {} 0 63 {8.MB} 1.46841 0.00344 0.00491 ++ 0.0 {} {9.HN} 8.93709 0.01186 0.01694 ++ 0.0 {} {8.CB} 17.98759 0.38031 0.54331 ++ 0.0 {} 0.0 0.1317 0 {} 0 64 {} 1.66842 0.03226 0.03542 ++ 0.0 {} {} 8.61587 0.07360 0.07991 ++ 0.0 {} {} 19.14296 2.43303 2.75824 ++ 0.0 {} 0.0 0.2693 0 {} 0 65 {} 1.66110 0.00403 0.00576 ++ 0.0 {} {} 8.32168 0.01113 0.01590 ++ 0.0 {} {} 19.00887 0.41482 0.59260 ++ 0.0 {} 0.0 0.1297 0 {} 0 66 {} 1.50219 0.04198 0.05768 ++ 0.0 {} {} 8.16133 0.06619 0.09572 ++ 0.0 {} {} 17.97456 2.57588 3.80330 ++ 0.0 {} 0.0 0.4947 0 {} 0 67 {26.MB} 1.63728 0.03466 0.04724 ++ 0.0 {} {26.HN} 7.66603 0.05764 0.07911 ++ 0.0 {} {26.CB} 17.34559 1.74489 2.62565 ++ 0.0 {} 0.0 0.4415 0 {} 0 68 {4.MB} 1.30738 0.03192 0.02848 ++ 0.0 {} {4.HN} 7.35463 0.06468 0.05906 ++ 0.0 {} {4.CB} 17.91903 2.35355 2.04194 ++ 0.0 {} 0.0 0.2093 0 {} 0 69 {} 1.59556 0.03907 0.04363 ++ 0.0 {} {} 8.16519 0.07659 0.08131 ++ 0.0 {} {} 41.68550 2.56357 2.75221 ++ 0.0 {} 0.0 0.2086 0 {} 0 70 {14.HB2} 1.59697 0.03710 0.02996 ++ 0.0 {} {14.HA} 4.01416 0.06178 0.05220 ++ 0.0 {} {14.CB} 41.74055 2.46438 1.93501 ++ 0.0 {} 0.0 0.1578 0 {} 0 71 {} 1.71009 0.02793 0.02202 ++ 0.0 {} {} 1.78571 0.02486 0.03551 ++ 0.0 {} {} 41.97375 1.52855 1.14451 ++ 0.0 {} 0.153200000525 0.1532 0 {} 0 72 {14.HB2} 1.59330 0.04876 0.07700 ++ 0.0 {} {14.HB1} 1.85330 0.08430 0.15040 ++ 0.0 {} {14.CB} 41.78617 3.20515 4.57878 ++ 0.0 {} 0.0 1.4085 0 {} 0 73 {14.HB2} 1.58930 0.04137 0.05630 ++ 0.0 {} {14.HG} 1.72718 0.10365 0.15040 ++ 0.0 {} {14.CB} 41.78780 2.52939 4.52710 ++ 0.0 {} 0.0 0.9437 0 {} 0 74 {30.HB2} 1.56396 0.03291 0.06020 ++ 0.0 {} {30.HB1} 1.79755 0.06382 0.11640 ++ 0.0 {} {30.CB} 42.13140 1.84166 4.16915 ++ 0.0 {} 0.0 1.3657 0 {} 0 75 {} 1.71227 0.04335 0.05981 ++ 0.0 {} {} 1.57905 0.09783 0.12504 ++ 0.0 {} {} 41.85006 2.07018 3.79059 ++ 0.0 {} 0.470899999142 0.4709 0 {} 0 76 {} 1.65275 0.01268 0.01820 ++ 0.0 {} {} 1.65202 0.02004 0.02874 ++ 0.0 {} {} 41.28493 1.19953 1.72073 ++ 0.0 {} 0.0 0.3391 0 {} 0 77 {} 1.62324 0.03273 0.03836 ++ 0.0 {} {} 1.67732 0.02621 0.03721 ++ 0.0 {} {} 41.65905 1.24832 1.77203 ++ 0.0 {} 0.0 0.3303 0 {} 0 78 {} 1.58782 0.01630 0.02329 ++ 0.0 {} {} 1.42873 0.01526 0.02180 ++ 0.0 {} {} 42.18832 2.18568 0.95060 ++ 0.0 {} 0.0 0.1225 0 {} 0 79 {14.HB2} 1.57778 0.07085 0.16539 ++ 0.0 {} {14.HB2} 1.57778 0.06556 0.20886 ++ 0.0 {} {14.CB} 41.91616 2.04430 4.68112 ++ 0.0 {} 0.0 8.2741 0 {} 0 80 {30.HB2} 1.55938 0.03699 0.05805 ++ 0.0 {} {30.HG} 1.68439 0.07520 0.10743 ++ 0.0 {} {30.CB} 42.16279 1.85220 3.72932 ++ 0.0 {} 0.0 0.7123 0 {} 0 81 {14.HG} 1.72681 0.05772 0.13584 ++ 0.0 {} {14.HG} 1.72217 0.07028 0.36170 ++ 0.0 {} {14.CG} 27.10713 1.77134 4.61240 ++ 0.0 {} 0.0 12.4106 0 {} 0 82 {14.HG} 1.71982 0.04339 0.07475 ++ 0.0 {} {14.HB2} 1.57340 0.10528 0.15040 ++ 0.0 {} {14.CG} 27.09376 1.86852 4.22202 ++ 0.0 {} 0.0 1.0984 0 {} 0 83 {} 1.46841 0.00935 0.01335 ++ 0.0 {} {} 8.93709 0.07043 0.04500 ++ 0.0 {} {} 17.98759 1.03348 1.47641 ++ 0.0 {} 0.0 0.1317 0 {} 0 84 {24.MB} 1.66842 0.03226 0.04011 ++ 0.0 {} {24.HN} 8.61587 0.07360 0.08927 ++ 0.0 {} {24.CB} 19.14296 2.58989 3.15417 ++ 0.0 {} 0.0 0.2693 0 {} 0 85 {} 1.66110 0.01222 0.01746 ++ 0.0 {} {} 8.32168 0.07293 0.04613 ++ 0.0 {} {} 19.00887 1.25691 1.79559 ++ 0.0 {} 0.0 0.1297 0 {} 0 86 {} 1.50219 0.04198 0.06272 ++ 0.0 {} {} 8.16133 0.06619 0.10240 ++ 0.0 {} {} 17.97456 2.57588 4.01898 ++ 0.0 {} 0.0 0.4947 0 {} 0 87 {} 1.63728 0.03466 0.05028 ++ 0.0 {} {} 7.66603 0.05764 0.08386 ++ 0.0 {} {} 17.34559 1.74489 3.04895 ++ 0.0 {} 0.0 0.4415 0 {} 0 88 {24.MB} 1.66700 0.03148 0.04977 ++ 0.0 {} {24.HA} 4.00024 0.05900 0.08038 ++ 0.0 {} {24.CB} 19.23053 2.75781 4.03075 ++ 0.0 {} 0.0 0.4417 0 {} 0 89 {} 1.66475 0.03277 0.05022 ++ 0.0 {} {} 3.85628 0.06822 0.09923 ++ 0.0 {} {} 19.11375 2.53635 3.63475 ++ 0.0 {} 0.0 0.3623 0 {} 0 90 {15.MB} 1.49263 0.06069 0.08594 ++ 0.0 {} {15.HA} 4.06985 0.06653 0.09940 ++ 0.0 {} {15.CB} 17.97133 2.50135 3.78525 ++ 0.0 {} 0.0 0.4482 0 {} 0 91 {15.MB} 1.50186 0.03175 0.03499 ++ 0.0 {} {12.HA} 3.59469 0.06957 0.07618 ++ 0.0 {} {15.CB} 18.02978 2.27598 2.59783 ++ 0.0 {} 0.0 0.2206 0 {} 0 92 {24.MB} 1.66765 0.03025 0.03706 ++ 0.0 {} {12.HB} 1.94931 0.05940 0.07422 ++ 0.0 {} {24.CB} 19.18145 2.52236 3.18196 ++ 0.0 {} 0.0 0.2811 0 {} 0 93 {} 1.66586 0.04809 0.13667 ++ 0.0 {} {} 1.66309 0.05105 0.07292 ++ 0.0 {} {} 18.96534 2.47405 4.98608 ++ 0.0 {} 0.0 24.7043 0 {} 0 94 {} 1.63722 0.03903 0.05575 ++ 0.0 {} {} 1.63466 0.06256 0.08937 ++ 0.0 {} {} 17.32055 1.74167 4.77111 ++ 0.0 {} 0.0 41.8266 0 {} 0 95 {} 1.63700 0.03908 0.10744 ++ 0.0 {} {} 1.54099 0.04512 0.06446 ++ 0.0 {} {} 17.33934 1.72457 4.43204 ++ 0.0 {} 0.0 2.1581 0 {} 0 96 {} 1.50350 0.03830 0.11693 ++ 0.0 {} {} 1.59463 0.04512 0.06446 ++ 0.0 {} {} 17.96071 2.71838 4.70048 ++ 0.0 {} 0.0 1.7531 0 {} 0 97 {} 1.50232 0.03866 0.05522 ++ 0.0 {} {} 1.49902 0.07859 0.11227 ++ 0.0 {} {} 17.95223 2.82597 4.03710 ++ 0.0 {} 0.0 52.8462 0 {} 0 98 {} 1.47210 0.05854 0.08363 ++ 0.0 {} {} 1.46914 0.05027 0.07182 ++ 0.0 {} {} 17.85891 2.88720 4.12457 ++ 0.0 {} 0.0 43.4417 0 {} 0 99 {26.MB} 1.63264 0.03310 0.03850 ++ 0.0 {} {26.HA} 4.25613 0.06359 0.07252 ++ 0.0 {} {26.CB} 17.14327 2.09309 2.56315 ++ 0.0 {} 0.0 0.2422 0 {} 0 100 {} 1.32574 0.03473 0.03477 ++ 0.0 {} {} 4.02332 0.07986 0.07995 ++ 0.0 {} {} 18.11884 2.18707 2.19059 ++ 0.0 {} 0.0 0.1554 0 {} 0 101 {} 1.28943 0.02483 0.02581 ++ 0.0 {} {} 4.01992 0.07009 0.07175 ++ 0.0 {} {} 18.09476 2.34481 2.42527 ++ 0.0 {} 0.0 0.1606 0 {} 0 102 {} 1.32574 0.03473 0.03477 ++ 0.0 {} {} 4.02332 0.07986 0.07995 ++ 0.0 {} {} 18.11884 2.18707 2.19059 ++ 0.0 {} 0.0 0.1554 0 {} 0 103 {} 1.28943 0.02483 0.02581 ++ 0.0 {} {} 4.01992 0.07009 0.07175 ++ 0.0 {} {} 18.09476 2.34481 2.42527 ++ 0.0 {} 0.0 0.1606 0 {} 0 104 {4.MB} 1.32574 0.03473 0.03477 ++ 0.0 {} {4.HA} 4.02332 0.07986 0.07995 ++ 0.0 {} {4.CB} 18.11884 2.18707 2.19059 ++ 0.0 {} 0.0 0.1554 0 {} 0 105 {} 1.28943 0.02483 0.02581 ++ 0.0 {} {} 4.01992 0.07009 0.07175 ++ 0.0 {} {} 18.09476 2.34481 2.42527 ++ 0.0 {} 0.0 0.1606 0 {} 0 106 {4.MB} 1.30871 0.02811 0.16323 ++ 0.0 {} {4.MB} 1.30735 0.07341 0.10487 ++ 0.0 {} {4.CB} 17.94689 2.80285 4.00407 ++ 0.0 {} 0.0 35.9228 0 {} 0 107 {} 1.17293 0.02385 0.02884 ++ 0.0 {} {} 3.76513 0.06287 0.07178 ++ 0.0 {} {} 21.01188 1.67005 2.03837 ++ 0.0 {} 0.260500013828 0.2605 0 {} 0 108 {} 1.16047 0.01158 0.01655 ++ 0.0 {} {} 4.08851 0.02872 0.04103 ++ 0.0 {} {} 21.17851 1.47645 0.70720 ++ 0.0 {} 0.0 0.1335 0 {} 0 109 {19.MG2} 0.99206 0.02696 0.02578 ++ 0.0 {} {19.HA} 3.80458 0.06023 0.05784 ++ 0.0 {} {19.CG2} 20.58998 2.14496 2.00949 ++ 0.0 {} 0.0 0.1910 0 {} 0 110 {12.MG2} 0.91310 0.03162 0.03841 ++ 0.0 {} {12.HA} 3.60113 0.06485 0.07872 ++ 0.0 {} {12.CG2} 21.65632 2.69509 3.19690 ++ 0.0 {} 0.0 0.2759 0 {} 0 111 {} 0.91310 0.03162 0.03841 ++ 0.0 {} {} 3.60113 0.06485 0.07872 ++ 0.0 {} {} 21.65632 2.69509 3.19690 ++ 0.0 {} 0.0 0.2759 0 {} 0 112 {} 0.88675 0.01574 0.02248 ++ 0.0 {} {} 3.54409 0.02154 0.03077 ++ 0.0 {} {} 20.75694 1.67667 0.79727 ++ 0.0 {} 0.0 0.1332 0 {} 0 113 {} 0.91310 0.03162 0.03841 ++ 0.0 {} {} 3.60113 0.06485 0.07872 ++ 0.0 {} {} 21.65632 2.69509 3.19690 ++ 0.0 {} 0.0 0.2759 0 {} 0 114 {6.MG2} 0.88675 0.01574 0.02248 ++ 0.0 {} {6.HA} 3.54409 0.02154 0.03077 ++ 0.0 {} {6.CG2} 20.75694 1.67667 0.79727 ++ 0.0 {} 0.0 0.1332 0 {} 0 115 {19.MG2} 1.01333 0.01340 0.01914 ++ 0.0 {} {19.HB} 2.16131 0.05418 0.04962 ++ 0.0 {} {19.CG2} 20.74912 1.86983 1.65633 ++ 0.0 {} 0.0 0.1822 0 {} 0 116 {} 0.97185 0.01802 0.01282 ++ 0.0 {} {} 2.15977 0.05648 0.04410 ++ 0.0 {} {} 20.63417 2.20957 1.57133 ++ 0.0 {} 0.0 0.1575 0 {} 0 117 {} 0.92442 0.04437 0.04962 ++ 0.0 {} {} 1.95741 0.08435 0.09254 ++ 0.0 {} {} 21.57516 2.56819 2.93370 ++ 0.0 {} 0.0 0.2406 0 {} 0 118 {} 0.92442 0.04437 0.04962 ++ 0.0 {} {} 1.95741 0.08435 0.09254 ++ 0.0 {} {} 21.57516 2.56819 2.93370 ++ 0.0 {} 0.0 0.2406 0 {} 0 119 {12.MG2} 0.92442 0.04437 0.04962 ++ 0.0 {} {12.HB} 1.95741 0.08435 0.09254 ++ 0.0 {} {12.CG2} 21.57516 2.56819 2.93370 ++ 0.0 {} 0.0 0.2406 0 {} 0 120 {} 0.92442 0.04437 0.04962 ++ 0.0 {} {} 1.95741 0.08435 0.09254 ++ 0.0 {} {} 21.57516 2.56819 2.93370 ++ 0.0 {} 0.0 0.2406 0 {} 0 121 {} 0.92442 0.04437 0.04962 ++ 0.0 {} {} 1.95741 0.08435 0.09254 ++ 0.0 {} {} 21.57516 2.56819 2.93370 ++ 0.0 {} 0.0 0.2406 0 {} 0 122 {} 0.92442 0.04437 0.04962 ++ 0.0 {} {} 1.95741 0.08435 0.09254 ++ 0.0 {} {} 21.57516 2.56819 2.93370 ++ 0.0 {} 0.0 0.2406 0 {} 0 123 {6.MG2} 0.86322 0.01800 0.01530 ++ 0.0 {} {6.HB} 2.02539 0.08379 0.07440 ++ 0.0 {} {6.CG2} 20.52918 2.23443 1.89940 ++ 0.0 {} 0.0 0.1766 0 {} 0 124 {} 1.17513 0.02470 0.29173 ++ 0.0 {} {} 1.17328 0.03887 0.05552 ++ 0.0 {} {} 20.71741 2.00373 4.72071 ++ 0.0 {} 0.0 103.2215 0 {} 0 125 {} 0.99187 0.02948 0.40999 ++ 0.0 {} {} 0.99053 0.05508 0.12862 ++ 0.0 {} {} 20.70993 2.02953 4.70598 ++ 0.0 {} 0.0 61.9438 0 {} 0 126 {} 0.88707 0.04503 0.27271 ++ 0.0 {} {} 0.88521 0.06138 0.33039 ++ 0.0 {} {} 20.69985 1.86868 4.57439 ++ 0.0 {} 0.0 52.8305 0 {} 0 127 {} 0.84776 0.03448 0.29093 ++ 0.0 {} {} 0.84597 0.04681 0.06688 ++ 0.0 {} {} 23.39969 2.05371 2.93388 ++ 0.0 {} 0.0 147.0947 0 {} 0 128 {} 0.88707 0.04503 0.27271 ++ 0.0 {} {} 0.88521 0.06138 0.33039 ++ 0.0 {} {} 20.69985 1.86868 4.57439 ++ 0.0 {} 0.0 52.8305 0 {} 0 129 {} 0.84776 0.03448 0.29093 ++ 0.0 {} {} 0.84597 0.04681 0.06688 ++ 0.0 {} {} 23.39969 2.05371 2.93388 ++ 0.0 {} 0.0 147.0947 0 {} 0 130 {} 0.88707 0.04503 0.27271 ++ 0.0 {} {} 0.88521 0.06138 0.33039 ++ 0.0 {} {} 20.69985 1.86868 4.57439 ++ 0.0 {} 0.0 52.8305 0 {} 0 131 {14.MD1} 0.84776 0.03448 0.29093 ++ 0.0 {} {14.MD1} 0.84597 0.04681 0.06688 ++ 0.0 {} {14.CD1} 23.39969 2.05371 2.93388 ++ 0.0 {} 0.0 147.0947 0 {} 0 132 {} 0.88707 0.04503 0.27271 ++ 0.0 {} {} 0.88521 0.06138 0.33039 ++ 0.0 {} {} 20.69985 1.86868 4.57439 ++ 0.0 {} 0.0 52.8305 0 {} 0 133 {} 0.45504 0.02920 0.02990 ++ 0.0 {} {} 3.32978 0.05866 0.06021 ++ 0.0 {} {} 20.78965 2.23227 2.31952 ++ 0.0 {} 0.0 0.1057 0 {} 0 134 {3.MG2} 0.45407 0.03815 0.10744 ++ 0.0 {} {3.MG1} 0.71048 0.06441 0.08644 ++ 0.0 {} {3.CG2} 20.91196 2.05307 3.36672 ++ 0.0 {} 0.0 0.2517 0 {} 0 135 {} 0.45399 0.03620 0.05172 ++ 0.0 {} {} 0.45333 0.05640 0.32790 ++ 0.0 {} {} 21.06882 1.66392 4.52269 ++ 0.0 {} 0.0 35.6432 0 {} 0 136 {19.MG1} 1.12730 0.03794 0.05267 ++ 0.0 {} {19.HA} 3.80806 0.06776 0.09493 ++ 0.0 {} {19.CG1} 21.90884 1.85657 2.97418 ++ 0.0 {} 0.0 0.2818 0 {} 0 137 {12.MG2} 0.91395 0.03102 0.03869 ++ 0.0 {} {24.MB} 1.66820 0.04990 0.06621 ++ 0.0 {} {12.CG2} 21.71208 2.17789 2.95413 ++ 0.0 {} 0.0 0.2215 0 {} 0 138 {6.MG1} 0.96443 0.02989 0.03375 ++ 0.0 {} {6.HA} 3.54420 0.05710 0.06517 ++ 0.0 {} {6.CG1} 22.05358 1.95170 2.36035 ++ 0.0 {} 0.0 0.1681 0 {} 0 139 {19.MG1} 1.14598 0.01517 0.01921 ++ 0.0 {} {19.HB} 2.16028 0.06203 0.07584 ++ 0.0 {} {19.CG1} 22.03543 1.52643 1.93355 ++ 0.0 {} 0.0 0.1812 0 {} 0 140 {19.MG1} 1.10945 0.03144 0.04884 ++ 0.0 {} {19.HB} 2.15675 0.06733 0.08379 ++ 0.0 {} {19.CG1} 21.85707 2.30022 3.30761 ++ 0.0 {} 0.0 0.2024 0 {} 0 141 {12.MG1} 1.04775 0.03659 0.05538 ++ 0.0 {} {12.HB} 1.94692 0.05591 0.08560 ++ 0.0 {} {12.CG1} 22.72363 2.26122 4.00824 ++ 0.0 {} 0.0 0.3659 0 {} 0 142 {12.MG1} 1.04814 0.02804 0.05234 ++ 0.0 {} {12.HA} 3.59987 0.05812 0.09344 ++ 0.0 {} {12.CG1} 22.57334 1.92398 3.74764 ++ 0.0 {} 0.0 0.4129 0 {} 0 143 {12.MG1} 1.04776 0.02540 0.30992 ++ 0.0 {} {12.MG1} 1.04605 0.03856 0.29786 ++ 0.0 {} {12.CG1} 22.66553 2.04798 4.74259 ++ 0.0 {} 0.0 50.0859 0 {} 0 144 {} 1.17513 0.03835 0.38081 ++ 0.0 {} {} 1.17328 0.03887 0.05552 ++ 0.0 {} {} 20.71741 2.00373 4.72272 ++ 0.0 {} 103.221496582 103.2215 0 {} 0 145 {} 0.84834 0.01365 0.02763 ++ 0.0 {} {} 1.72482 0.08335 0.16701 ++ 0.0 {} {} 27.10626 1.60027 3.37870 ++ 0.0 {} 2.09279990196 2.0928 0 {} 0 146 {14.MD1} 0.82170 0.02472 0.02678 ++ 0.0 {} {14.HG} 1.71838 0.07084 0.08971 ++ 0.0 {} {14.CD1} 23.73901 0.80835 1.12103 ++ 0.0 {} 0.0 0.2167 0 {} 0 147 {22.QB} 1.85595 0.02477 0.04279 ++ 0.0 {} {22.QG} 2.23019 0.05809 0.09483 ++ 0.0 {} {22.CB} 27.87004 2.66874 4.44641 ++ 0.0 {} 0.0 0.5844 0 {} 0 148 {25.MB} 1.83581 0.02912 0.04472 ++ 0.0 {} {9.HB2} 2.90242 0.06679 0.08769 ++ 0.0 {} {25.CB} 28.00612 2.14335 3.26627 ++ 0.0 {} 0.0 0.2410 0 {} 0 149 {22.QB} 1.85267 0.03926 0.06436 ++ 0.0 {} {22.HA} 3.77928 0.05931 0.09182 ++ 0.0 {} {22.CB} 27.94995 2.40201 4.07971 ++ 0.0 {} 0.0 0.4686 0 {} 0 150 {13.HB2} 2.94453 0.05071 0.07568 ++ 0.0 {} {13.HB1} 4.36220 0.06979 0.10941 ++ 0.0 {} {13.CB} 29.62797 1.67823 3.34397 ++ 0.0 {} 0.0 0.6926 0 {} 0 151 {} 2.94794 0.03319 0.05747 ++ 0.0 {} {} 3.32508 0.06574 0.12437 ++ 0.0 {} {} 30.56705 2.18797 4.43365 ++ 0.0 {} 0.0 1.5441 0 {} 0 152 {9.HB2} 2.91397 0.04902 0.07974 ++ 0.0 {} {9.HB1} 3.15384 0.06601 0.12401 ++ 0.0 {} {9.CB} 30.39538 2.83672 4.90078 ++ 0.0 {} 0.0 2.2260 0 {} 0 153 {} 2.92222 0.04407 0.05056 ++ 0.0 {} {} 3.85296 0.06871 0.07598 ++ 0.0 {} {} 30.28575 2.31497 2.64559 ++ 0.0 {} 0.0 0.2021 0 {} 0 154 {13.HB2} 2.94450 0.03246 0.04638 ++ 0.0 {} {10.HA2} 3.57213 0.06764 0.04951 ++ 0.0 {} {13.CB} 29.49083 1.91590 1.17893 ++ 0.0 {} 0.0 0.1256 0 {} 0 155 {5.HB2} 2.94569 0.04915 0.04837 ++ 0.0 {} {5.HA} 4.23530 0.06068 0.05989 ++ 0.0 {} {5.CB} 30.33313 1.74678 2.49540 ++ 0.0 {} 0.0 0.1703 0 {} 0 156 {} 1.83959 0.00890 0.01272 ++ 0.0 {} {} 1.18066 0.04238 0.06055 ++ 0.0 {} {} 28.25719 1.62917 0.56138 ++ 0.0 {} 0.105099998415 0.1051 0 {} 0 157 {} 1.77608 0.02299 0.03284 ++ 0.0 {} {} 0.85298 0.06236 0.04828 ++ 0.0 {} {} 27.67500 1.41572 2.02246 ++ 0.0 {} 0.0 0.1382 0 {} 0 158 {12.HB} 1.96011 0.06915 0.08940 ++ 0.0 {} {12.MG1} 1.04959 0.06017 0.07903 ++ 0.0 {} {12.CB} 31.24471 1.90709 2.77937 ++ 0.0 {} 0.0 0.2830 0 {} 0 159 {12.HB} 1.95545 0.04786 0.06837 ++ 0.0 {} {12.MG2} 0.91351 0.05693 0.07410 ++ 0.0 {} {12.CB} 31.39013 1.95940 2.64907 ++ 0.0 {} 0.0 0.2591 0 {} 0 160 {} 1.95217 0.04358 0.06311 ++ 0.0 {} {} 1.66777 0.06693 0.09793 ++ 0.0 {} {} 31.36118 1.90469 3.09836 ++ 0.0 {} 0.340499997139 0.3405 0 {} 0 161 {12.HB} 1.95633 0.05784 0.13116 ++ 0.0 {} {12.HB} 1.95319 0.05501 0.13986 ++ 0.0 {} {12.CB} 31.34579 1.95931 4.64332 ++ 0.0 {} 0.0 6.9679 0 {} 0 162 {12.HB} 1.95409 0.03287 0.02653 ++ 0.0 {} {12.HA} 3.58682 0.05656 0.04567 ++ 0.0 {} {12.CB} 31.39385 1.84412 1.34689 ++ 0.0 {} 0.0 0.1370 0 {} 0 163 {6.HB} 2.04866 0.04786 0.06837 ++ 0.0 {} {6.MG2} 0.89655 0.10079 0.11506 ++ 0.0 {} {6.CB} 31.53175 2.51496 2.81771 ++ 0.0 {} 0.0 0.2012 0 {} 0 164 {19.HB} 2.18604 0.05404 0.05698 ++ 0.0 {} {19.MG1} 1.12728 0.06640 0.07058 ++ 0.0 {} {19.CB} 31.96551 1.62156 1.74394 ++ 0.0 {} 0.0 0.1882 0 {} 0 165 {19.HB} 2.19000 0.02706 0.03865 ++ 0.0 {} {19.MG2} 1.00063 0.05217 0.05007 ++ 0.0 {} {19.CB} 32.08334 2.21235 2.09595 ++ 0.0 {} 0.0 0.1653 0 {} 0 166 {19.HB} 2.14571 0.04671 0.04268 ++ 0.0 {} {19.MG2} 0.99218 0.07557 0.06787 ++ 0.0 {} {19.CB} 31.91514 1.68281 1.44656 ++ 0.0 {} 0.0 0.1525 0 {} 0 167 {19.HB} 2.14128 0.04976 0.04450 ++ 0.0 {} {19.MG1} 1.13406 0.06315 0.05433 ++ 0.0 {} {19.CB} 31.92022 1.95813 1.62893 ++ 0.0 {} 0.0 0.1489 0 {} 0 168 {} 2.24331 0.03105 0.05057 ++ 0.0 {} {} 1.85915 0.07029 0.12551 ++ 0.0 {} {} 32.63473 1.86624 3.96368 ++ 0.0 {} 0.0 0.7405 0 {} 0 169 {19.HB} 2.16943 0.02983 0.03191 ++ 0.0 {} {19.HA} 3.81014 0.06512 0.06882 ++ 0.0 {} {19.CB} 31.96587 1.76543 1.90588 ++ 0.0 {} 0.0 0.1890 0 {} 0 170 {9.HB2} 2.91731 0.05517 0.06693 ++ 0.0 {} {25.MB} 1.83000 0.08513 0.10439 ++ 0.0 {} {9.CB} 30.17828 2.34077 3.25148 ++ 0.0 {} 0.0 0.2592 0 {} 0 171 {9.HB1} 3.16257 0.05438 0.10045 ++ 0.0 {} {9.HB1} 3.15611 0.05939 0.12473 ++ 0.0 {} {9.CB} 30.37652 2.49941 4.83325 ++ 0.0 {} 0.0 4.1745 0 {} 0 172 {9.HB1} 3.16106 0.05060 0.11295 ++ 0.0 {} {9.HB2} 2.90653 0.08484 0.15485 ++ 0.0 {} {9.CB} 30.37587 2.63642 4.82701 ++ 0.0 {} 0.0 2.3166 0 {} 0 173 {9.HB1} 3.16486 0.04988 0.04615 ++ 0.0 {} {25.MB} 1.83583 0.06894 0.06388 ++ 0.0 {} {9.CB} 30.20415 2.43861 2.22049 ++ 0.0 {} 0.0 0.1597 0 {} 0 174 {5.HB1} 3.33421 0.05356 0.22466 ++ 0.0 {} {5.HB2} 2.94148 0.07279 0.13783 ++ 0.0 {} {5.CB} 30.51000 2.38093 4.60523 ++ 0.0 {} 0.0 1.6819 0 {} 0 175 {} 3.33688 0.02596 0.02815 ++ 0.0 {} {} 1.75095 0.07000 0.07767 ++ 0.0 {} {} 31.30808 2.01722 2.29566 ++ 0.0 {} 0.201800003648 0.2018 0 {} 0 176 {13.HB1} 4.38054 0.04367 0.07020 ++ 0.0 {} {13.HB2} 2.93751 0.05757 0.11715 ++ 0.0 {} {13.CB} 29.64937 1.70027 3.96024 ++ 0.0 {} 0.0 1.3309 0 {} 0 177 {} 4.40099 0.02586 0.02920 ++ 0.0 {} {} 3.28544 0.09632 0.11103 ++ 0.0 {} {} 29.93311 1.98078 2.24985 ++ 0.0 {} 0.0 0.2013 0 {} 0 178 {} 4.38807 0.01298 0.01854 ++ 0.0 {} {} 3.64814 0.06962 0.04665 ++ 0.0 {} {} 29.76366 1.43171 0.79359 ++ 0.0 {} 0.120300002396 0.1203 0 {} 0 179 {} 4.38341 0.03799 0.04510 ++ 0.0 {} {} 4.24174 0.07520 0.10743 ++ 0.0 {} {} 29.64000 1.80733 2.28675 ++ 0.0 {} 0.236800000072 0.2368 0 {} 0 180 {29.HB2} 2.90934 0.04027 0.07390 ++ 0.0 {} {29.HB1} 3.38272 0.06493 0.12602 ++ 0.0 {} {29.CB} 39.70795 1.69302 4.12057 ++ 0.0 {} 0.0 1.6820 0 {} 0 181 {29.HB1} 3.39302 0.05493 0.09546 ++ 0.0 {} {29.HB1} 3.38292 0.08094 0.16095 ++ 0.0 {} {29.CB} 39.71247 1.64179 4.50821 ++ 0.0 {} 0.0 4.9521 0 {} 0 182 {14.HB2} 1.58706 0.03945 0.05636 ++ 0.0 {} {14.MD2} 0.85471 0.05645 0.04755 ++ 0.0 {} {14.CB} 41.79868 2.49129 1.96733 ++ 0.0 {} 0.0 0.1437 0 {} 0 183 {} 1.80068 0.01805 0.02578 ++ 0.0 {} {} 0.87402 0.01458 0.02082 ++ 0.0 {} {} 41.50507 0.70385 1.00550 ++ 0.0 {} 0.0 0.0975 0 {} 0 184 {30.HB1} 1.80366 0.03779 0.06778 ++ 0.0 {} {30.HB2} 1.56048 0.06546 0.13274 ++ 0.0 {} {30.CB} 42.13200 1.84927 4.36342 ++ 0.0 {} 0.0 1.4963 0 {} 0 185 {30.HB1} 1.80374 0.04095 0.07648 ++ 0.0 {} {30.HG} 1.69886 0.04512 0.06446 ++ 0.0 {} {30.CB} 42.07819 1.88509 3.90325 ++ 0.0 {} 0.0 0.6394 0 {} 0 186 {30.HB1} 1.80676 0.04794 0.19362 ++ 0.0 {} {30.HB1} 1.80105 0.05519 0.13689 ++ 0.0 {} {30.CB} 42.12500 1.71772 4.35652 ++ 0.0 {} 0.0 5.4920 0 {} 0 187 {14.HB1} 1.86536 0.04814 0.28112 ++ 0.0 {} {14.HB1} 1.85963 0.08784 0.18427 ++ 0.0 {} {14.CB} 41.79609 3.04313 4.88486 ++ 0.0 {} 0.0 6.3446 0 {} 0 188 {} 1.86486 0.04786 0.06837 ++ 0.0 {} {} 1.73969 0.07520 0.10743 ++ 0.0 {} {} 41.76094 2.63608 4.48285 ++ 0.0 {} 0.0 0.7913 0 {} 0 189 {14.HB1} 1.86414 0.03424 0.06837 ++ 0.0 {} {14.HB2} 1.59534 0.07785 0.14797 ++ 0.0 {} {14.CB} 41.74514 2.65970 4.86038 ++ 0.0 {} 0.0 1.5182 0 {} 0 190 {14.HB1} 1.86254 0.03879 0.03220 ++ 0.0 {} {14.HA} 4.01185 0.06687 0.05102 ++ 0.0 {} {14.CB} 41.62526 1.38765 1.98235 ++ 0.0 {} 0.0 0.1377 0 {} 0 191 {29.HB2} 2.90897 0.04900 0.10191 ++ 0.0 {} {29.HB2} 2.90336 0.06680 0.12841 ++ 0.0 {} {29.CB} 39.69793 1.75178 4.30958 ++ 0.0 {} 0.0 4.4144 0 {} 0 192 {18.HA2} 3.39171 0.06807 0.10682 ++ 0.0 {} {18.HA2} 3.37955 0.07262 0.15549 ++ 0.0 {} {18.CA} 44.25488 2.16075 3.08679 ++ 0.0 {} 0.0 4.8541 0 {} 0 193 {29.HB1} 3.39231 0.04949 0.08428 ++ 0.0 {} {29.HB2} 2.90427 0.07846 0.13161 ++ 0.0 {} {29.CB} 39.74718 1.64763 4.05686 ++ 0.0 {} 0.0 1.9388 0 {} 0 194 {28.HB2} 2.62741 0.03531 0.06940 ++ 0.0 {} {28.HB1} 3.16169 0.07627 0.12445 ++ 0.0 {} {28.CB} 45.07613 1.86888 4.19803 ++ 0.0 {} 0.0 1.2887 0 {} 0 195 {28.HB2} 2.62839 0.04488 0.09721 ++ 0.0 {} {28.HB2} 2.62169 0.06932 0.15478 ++ 0.0 {} {28.CB} 45.06018 1.89034 4.45560 ++ 0.0 {} 0.0 3.1196 0 {} 0 196 {28.HB1} 3.16784 0.04980 0.08168 ++ 0.0 {} {28.HB2} 2.62310 0.07934 0.14268 ++ 0.0 {} {28.CB} 45.08690 1.93609 4.35703 ++ 0.0 {} 0.0 1.4576 0 {} 0 197 {28.HB1} 3.16835 0.05667 0.10225 ++ 0.0 {} {28.HB1} 3.16339 0.07003 0.12425 ++ 0.0 {} {28.CB} 45.06767 1.86460 4.49704 ++ 0.0 {} 0.0 4.1804 0 {} 0 198 {18.HA1} 4.41375 0.04034 0.06900 ++ 0.0 {} {18.HA2} 3.37918 0.06900 0.13166 ++ 0.0 {} {18.CA} 44.24496 2.43257 4.54793 ++ 0.0 {} 0.0 1.3519 0 {} 0 199 {18.HA1} 4.41583 0.05012 0.07669 ++ 0.0 {} {18.HA1} 4.39429 0.08432 0.13021 ++ 0.0 {} {18.CA} 44.23761 2.39976 4.67220 ++ 0.0 {} 0.0 2.2010 0 {} 0 200 {18.HA2} 3.38842 0.04123 0.06933 ++ 0.0 {} {18.HA1} 4.39023 0.08725 0.12794 ++ 0.0 {} {18.CA} 44.23209 2.61179 4.57114 ++ 0.0 {} 0.0 0.8537 0 {} 0 201 {20.HA1} 4.28728 0.05458 0.08527 ++ 0.0 {} {20.HA1} 4.26891 0.04401 0.09497 ++ 0.0 {} {20.CA} 46.14702 1.76193 4.60467 ++ 0.0 {} 0.0 3.5316 0 {} 0 202 {20.HA2} 3.49535 0.04308 0.07219 ++ 0.0 {} {20.HA1} 4.26679 0.09582 0.13815 ++ 0.0 {} {20.CA} 46.13195 1.67019 3.89858 ++ 0.0 {} 0.0 1.0066 0 {} 0 203 {20.HA2} 3.49689 0.05048 0.08969 ++ 0.0 {} {20.HA2} 3.48486 0.06968 0.13409 ++ 0.0 {} {20.CA} 46.12533 1.71313 4.40079 ++ 0.0 {} 0.0 4.7004 0 {} 0 204 {20.HA1} 4.28251 0.04734 0.07210 ++ 0.0 {} {20.HA2} 3.48581 0.07672 0.14856 ++ 0.0 {} {20.CA} 46.13198 1.66854 4.00713 ++ 0.0 {} 0.0 1.4003 0 {} 0 205 {17.HA1} 4.00719 0.04094 0.05848 ++ 0.0 {} {17.HA2} 3.83502 0.07423 0.10605 ++ 0.0 {} {17.CA} 46.60428 2.96124 4.23035 ++ 0.0 {} 0.0 3.6690 0 {} 0 206 {} 3.85352 0.06771 0.11476 ++ 0.0 {} {} 3.83974 0.05571 0.11094 ++ 0.0 {} {} 47.26274 1.95595 4.89362 ++ 0.0 {} 0.0 6.2889 0 {} 0 207 {17.HA2} 3.84218 0.04447 0.07137 ++ 0.0 {} {17.HA1} 3.99210 0.08660 0.12364 ++ 0.0 {} {17.CA} 46.55960 2.37919 4.76111 ++ 0.0 {} 0.0 3.0522 0 {} 0 208 {} 4.02494 0.02051 0.02930 ++ 0.0 {} {} 3.99602 0.06829 0.12614 ++ 0.0 {} {} 46.61259 2.76104 3.94434 ++ 0.0 {} 0.0 3.6374 0 {} 0 209 {17.HA1} 3.99493 0.03419 0.04884 ++ 0.0 {} {17.HA1} 3.99664 0.06172 0.12275 ++ 0.0 {} {17.CA} 46.59189 3.01506 4.30723 ++ 0.0 {} 0.0 3.6933 0 {} 0 210 {} 4.02494 0.02051 0.02930 ++ 0.0 {} {} 3.99602 0.06829 0.12614 ++ 0.0 {} {} 46.61259 2.76104 3.94434 ++ 0.0 {} 0.0 3.6374 0 {} 0 211 {} 3.99493 0.03419 0.04884 ++ 0.0 {} {} 3.99664 0.06172 0.12275 ++ 0.0 {} {} 46.59189 3.01506 4.30723 ++ 0.0 {} 0.0 3.6933 0 {} 0 212 {} 4.02494 0.02051 0.02930 ++ 0.0 {} {} 3.99602 0.06829 0.12614 ++ 0.0 {} {} 46.61259 2.76104 3.94434 ++ 0.0 {} 0.0 3.6374 0 {} 0 213 {10.HA1} 3.85358 0.04648 0.08603 ++ 0.0 {} {10.HA2} 3.57046 0.07761 0.12806 ++ 0.0 {} {10.CA} 47.77143 3.22982 4.61403 ++ 0.0 {} 0.0 2.4801 0 {} 0 214 {7.QA} 3.75786 0.07006 0.10008 ++ 0.0 {} {7.QA} 3.74340 0.07820 0.11172 ++ 0.0 {} {7.CA} 46.80658 3.09272 4.41817 ++ 0.0 {} 0.0 9.4537 0 {} 0 215 {10.HA2} 3.57995 0.06309 0.09600 ++ 0.0 {} {10.HA2} 3.56836 0.06935 0.12649 ++ 0.0 {} {10.CA} 47.82518 2.97753 4.25361 ++ 0.0 {} 0.0 5.6569 0 {} 0 216 {10.HA2} 3.57760 0.04784 0.07450 ++ 0.0 {} {10.HA1} 3.84153 0.06617 0.12205 ++ 0.0 {} {10.CA} 47.85653 2.46553 4.62728 ++ 0.0 {} 0.0 2.0468 0 {} 0 217 {} 4.00944 0.05850 0.06960 ++ 0.0 {} {} 3.58442 0.08028 0.10743 ++ 0.0 {} {} 46.84127 3.61372 4.20116 ++ 0.0 {} 0.0 0.2355 0 {} 0 218 {4.HA} 4.04573 0.05624 0.06805 ++ 0.0 {} {4.MB} 1.31530 0.07205 0.08858 ++ 0.0 {} {4.CA} 54.14893 2.81031 3.45411 ++ 0.0 {} 0.0 0.2460 0 {} 0 219 {} 4.08161 0.05264 0.09268 ++ 0.0 {} {} 1.48504 0.07773 0.15165 ++ 0.0 {} {} 55.18305 2.24353 4.22492 ++ 0.0 {} 0.0 0.6650 0 {} 0 220 {} 4.01330 0.03097 0.04835 ++ 0.0 {} {} 1.66745 0.05750 0.09324 ++ 0.0 {} {} 55.67158 2.21136 4.22420 ++ 0.0 {} 0.0 0.4638 0 {} 0 221 {} 4.27473 0.06250 0.08008 ++ 0.0 {} {} 1.63377 0.06996 0.09986 ++ 0.0 {} {} 55.36969 2.37557 3.53493 ++ 0.0 {} 0.0 0.3339 0 {} 0 222 {30.HA} 4.30250 0.02083 0.02976 ++ 0.0 {} {30.MD2} 0.84934 0.02998 0.04283 ++ 0.0 {} {30.CA} 54.15894 1.00805 1.44006 ++ 0.0 {} 0.0 0.1195 0 {} 0 223 {14.HA} 4.02078 0.04335 0.04230 ++ 0.0 {} {14.MD1} 0.84084 0.07520 0.07361 ++ 0.0 {} {14.CA} 58.45575 1.87781 1.82023 ++ 0.0 {} 0.0 0.1688 0 {} 0 224 {14.HA} 4.02106 0.03542 0.04243 ++ 0.0 {} {14.HB2} 1.59022 0.09177 0.10697 ++ 0.0 {} {14.CA} 58.44813 1.87340 2.31974 ++ 0.0 {} 0.0 0.2284 0 {} 0 225 {24.HA} 4.01330 0.03097 0.04835 ++ 0.0 {} {24.MB} 1.66745 0.05750 0.09324 ++ 0.0 {} {24.CA} 55.67158 2.21136 4.22420 ++ 0.0 {} 0.0 0.4638 0 {} 0 226 {} 4.02106 0.03542 0.04243 ++ 0.0 {} {} 1.59022 0.09177 0.10697 ++ 0.0 {} {} 58.44813 1.87340 2.31974 ++ 0.0 {} 0.0 0.2284 0 {} 0 227 {} 4.01330 0.03097 0.04835 ++ 0.0 {} {} 1.66745 0.05750 0.09324 ++ 0.0 {} {} 55.67158 2.21136 4.22420 ++ 0.0 {} 0.0 0.4638 0 {} 0 228 {14.HA} 4.02420 0.02719 0.03327 ++ 0.0 {} {14.HB1} 1.86179 0.07414 0.09710 ++ 0.0 {} {14.CA} 58.39253 1.74148 2.23113 ++ 0.0 {} 0.0 0.2420 0 {} 0 229 {9.HA} 3.86274 0.04850 0.06848 ++ 0.0 {} {24.MB} 1.66676 0.06384 0.09649 ++ 0.0 {} {9.CA} 60.43714 2.48285 3.71626 ++ 0.0 {} 0.0 0.3961 0 {} 0 230 {22.HA} 3.78788 0.03275 0.05548 ++ 0.0 {} {22.QB} 1.84688 0.06776 0.11664 ++ 0.0 {} {22.CA} 60.13389 1.94920 3.89029 ++ 0.0 {} 0.0 0.7689 0 {} 0 231 {9.HA} 3.86711 0.04582 0.05702 ++ 0.0 {} {9.HB2} 2.90319 0.08588 0.11205 ++ 0.0 {} {9.CA} 60.44898 2.51228 3.33922 ++ 0.0 {} 0.0 0.2789 0 {} 0 232 {} 3.86754 0.03696 0.03740 ++ 0.0 {} {} 3.15838 0.09458 0.09550 ++ 0.0 {} {} 60.42612 2.48109 2.51800 ++ 0.0 {} 0.0 0.1767 0 {} 0 233 {} 3.86051 0.03077 0.02739 ++ 0.0 {} {} 3.49788 0.05721 0.08174 ++ 0.0 {} {} 60.26855 3.06849 2.73383 ++ 0.0 {} 0.0 0.1564 0 {} 0 234 {} 3.79478 0.03113 0.02214 ++ 0.0 {} {} 3.32537 0.04602 0.06574 ++ 0.0 {} {} 60.03666 2.25396 1.39073 ++ 0.0 {} 0.0 0.1258 0 {} 0 235 {22.HA} 3.78349 0.01134 0.01620 ++ 0.0 {} {22.QG} 2.22938 0.02433 0.03475 ++ 0.0 {} {22.CA} 60.03344 1.91921 0.98397 ++ 0.0 {} 0.0 0.1170 0 {} 0 236 {5.HA} 4.26438 0.03608 0.02658 ++ 0.0 {} {8.MB} 1.45801 0.06327 0.04572 ++ 0.0 {} {5.CA} 60.41441 1.65132 2.35902 ++ 0.0 {} 0.0 0.1254 0 {} 0 237 {} 4.25332 0.04554 0.06169 ++ 0.0 {} {} 2.93171 0.07225 0.10379 ++ 0.0 {} {} 60.39319 2.76000 3.71031 ++ 0.0 {} 0.0 0.2853 0 {} 0 238 {23.HA} 4.26693 0.04469 0.05801 ++ 0.0 {} {23.QB} 3.06806 0.06602 0.08595 ++ 0.0 {} {23.CA} 60.02541 1.69543 2.29503 ++ 0.0 {} 0.0 0.2691 0 {} 0 239 {29.HA} 4.17545 0.04479 0.05258 ++ 0.0 {} {29.HB1} 3.39071 0.08394 0.10615 ++ 0.0 {} {29.CA} 60.35675 2.68224 3.35045 ++ 0.0 {} 0.0 0.2409 0 {} 0 240 {} 4.39924 0.03707 0.03864 ++ 0.0 {} {} 3.29969 0.12206 0.12647 ++ 0.0 {} {} 59.57359 1.83483 1.91357 ++ 0.0 {} 0.0 0.1818 0 {} 0 241 {} 4.39847 0.05339 0.04770 ++ 0.0 {} {} 3.81950 0.14470 0.13344 ++ 0.0 {} {} 60.48196 3.40436 3.11907 ++ 0.0 {} 0.0 0.1569 0 {} 0 242 {16.HB1} 4.32405 0.04316 0.07357 ++ 0.0 {} {16.HB1} 4.30761 0.08262 0.13551 ++ 0.0 {} {16.CB} 64.16747 2.72793 3.89704 ++ 0.0 {} 0.0 2.7686 0 {} 0 243 {23.HA} 4.26722 0.04466 0.08987 ++ 0.0 {} {23.HA} 4.25128 0.05026 0.10678 ++ 0.0 {} {23.CA} 60.09733 1.92793 4.76066 ++ 0.0 {} 0.0 9.7643 0 {} 0 244 {16.HB1} 4.32410 0.03692 0.06573 ++ 0.0 {} {16.HB2} 3.76858 0.06727 0.13847 ++ 0.0 {} {16.CB} 64.18323 2.66856 4.79040 ++ 0.0 {} 0.0 1.4501 0 {} 0 245 {19.HA} 3.81511 0.03797 0.05425 ++ 0.0 {} {19.HA} 3.80560 0.06337 0.09053 ++ 0.0 {} {19.CA} 65.67216 2.13421 4.82285 ++ 0.0 {} 0.0 14.7080 0 {} 0 246 {} 3.77975 0.03858 0.07432 ++ 0.0 {} {} 3.76747 0.05030 0.07186 ++ 0.0 {} {} 64.42230 2.62488 3.74983 ++ 0.0 {} 0.0 5.4823 0 {} 0 247 {} 3.81511 0.03797 0.05425 ++ 0.0 {} {} 3.80560 0.06337 0.09053 ++ 0.0 {} {} 65.67216 2.13421 4.82285 ++ 0.0 {} 0.0 14.7080 0 {} 0 248 {} 3.77975 0.03858 0.07432 ++ 0.0 {} {} 3.76747 0.05030 0.07186 ++ 0.0 {} {} 64.42230 2.62488 3.74983 ++ 0.0 {} 0.0 5.4823 0 {} 0 249 {22.HA} 3.78834 0.04785 0.06836 ++ 0.0 {} {22.HA} 3.77917 0.07287 0.10410 ++ 0.0 {} {22.CA} 60.12859 1.98499 2.83569 ++ 0.0 {} 0.0 12.1612 0 {} 0 250 {16.HB2} 3.77806 0.03173 0.05332 ++ 0.0 {} {16.HB1} 4.30627 0.06599 0.12452 ++ 0.0 {} {16.CB} 64.15190 2.63295 4.35243 ++ 0.0 {} 0.0 0.9913 0 {} 0 251 {} 3.91080 0.04391 0.06186 ++ 0.0 {} {} 4.12591 0.07109 0.11024 ++ 0.0 {} {} 63.02570 2.04363 3.39238 ++ 0.0 {} 0.0 0.5198 0 {} 0 252 {27.HB1} 4.14041 0.04468 0.07455 ++ 0.0 {} {27.HB1} 4.12444 0.06521 0.12382 ++ 0.0 {} {27.CB} 62.96528 3.01007 4.30010 ++ 0.0 {} 0.0 1.3134 0 {} 0 253 {} 4.17711 0.04253 0.07700 ++ 0.0 {} {} 4.16532 0.04593 0.08484 ++ 0.0 {} {} 60.28690 3.10656 4.43795 ++ 0.0 {} 0.0 6.7464 0 {} 0 254 {} 4.14041 0.04468 0.07455 ++ 0.0 {} {} 4.12444 0.06521 0.12382 ++ 0.0 {} {} 62.96528 3.01007 4.30010 ++ 0.0 {} 0.0 1.3134 0 {} 0 255 {29.HA} 4.17711 0.04253 0.07700 ++ 0.0 {} {29.HA} 4.16532 0.04593 0.08484 ++ 0.0 {} {29.CA} 60.28690 3.10656 4.43795 ++ 0.0 {} 0.0 6.7464 0 {} 0 256 {} 4.14041 0.04468 0.07455 ++ 0.0 {} {} 4.12444 0.06521 0.12382 ++ 0.0 {} {} 62.96528 3.01007 4.30010 ++ 0.0 {} 0.0 1.3134 0 {} 0 257 {} 4.13967 0.03731 0.16605 ++ 0.0 {} {} 3.91452 0.08462 0.19337 ++ 0.0 {} {} 62.92842 2.66235 4.71952 ++ 0.0 {} 0.0 1.6345 0 {} 0 258 {} 3.94143 0.04203 0.12696 ++ 0.0 {} {} 3.92820 0.09319 0.13313 ++ 0.0 {} {} 62.68330 2.20193 3.14561 ++ 0.0 {} 0.0 7.2292 0 {} 0 259 {} 3.94143 0.04203 0.12696 ++ 0.0 {} {} 3.92820 0.09319 0.13313 ++ 0.0 {} {} 62.68330 2.20193 3.14561 ++ 0.0 {} 0.0 7.2292 0 {} 0 260 {} 3.81511 0.03797 0.05425 ++ 0.0 {} {} 3.80560 0.06337 0.09053 ++ 0.0 {} {} 65.67216 2.13421 4.82285 ++ 0.0 {} 0.0 14.7080 0 {} 0 261 {} 3.94143 0.04203 0.12696 ++ 0.0 {} {} 3.92820 0.09319 0.13313 ++ 0.0 {} {} 62.68330 2.20193 3.14561 ++ 0.0 {} 0.0 7.2292 0 {} 0 262 {} 3.93990 0.03242 0.02284 ++ 0.0 {} {} 1.69711 0.04768 0.06811 ++ 0.0 {} {} 62.27689 1.34589 1.92270 ++ 0.0 {} 0.0 0.1316 0 {} 0 263 {19.HA} 3.81472 0.03720 0.04511 ++ 0.0 {} {19.HB} 2.16298 0.05878 0.07213 ++ 0.0 {} {19.CA} 65.70538 2.14164 2.81436 ++ 0.0 {} 0.0 0.2402 0 {} 0 264 {19.HA} 3.81532 0.03896 0.05450 ++ 0.0 {} {19.MG1} 1.12817 0.06043 0.08717 ++ 0.0 {} {19.CA} 65.70890 2.12091 3.39518 ++ 0.0 {} 0.0 0.3700 0 {} 0 265 {} 3.81653 0.03545 0.04894 ++ 0.0 {} {} 0.99104 0.06749 0.08964 ++ 0.0 {} {} 65.61493 2.17695 3.24875 ++ 0.0 {} 0.0 0.3077 0 {} 0 266 {12.HA} 3.60706 0.04139 0.04916 ++ 0.0 {} {12.HB} 1.95711 0.07232 0.09062 ++ 0.0 {} {12.CA} 66.58167 2.40108 3.27279 ++ 0.0 {} 0.0 0.2594 0 {} 0 267 {} 3.60803 0.03765 0.05110 ++ 0.0 {} {} 1.50082 0.05478 0.07041 ++ 0.0 {} {} 66.57155 2.29566 3.25809 ++ 0.0 {} 0.280299991369 0.2803 0 {} 0 268 {12.HA} 3.60911 0.04325 0.06501 ++ 0.0 {} {12.MG1} 1.04692 0.05584 0.09258 ++ 0.0 {} {12.CA} 66.55109 2.42167 4.10154 ++ 0.0 {} 0.0 0.5212 0 {} 0 269 {12.HA} 3.60449 0.03512 0.06837 ++ 0.0 {} {12.MG2} 0.91134 0.06488 0.09602 ++ 0.0 {} {12.CA} 66.61235 2.48734 3.67770 ++ 0.0 {} 0.0 0.3438 0 {} 0 270 {11.HB} 4.10641 0.07489 0.07729 ++ 0.0 {} {11.MG2} 1.16601 0.07874 0.08430 ++ 0.0 {} {11.CB} 68.77786 1.86694 2.03348 ++ 0.0 {} 0.0 0.1910 0 {} 0 271 {11.HB} 4.10656 0.04350 0.07558 ++ 0.0 {} {11.HB} 4.09356 0.08002 0.15409 ++ 0.0 {} {11.CB} 68.74079 1.78040 4.38325 ++ 0.0 {} 0.0 5.3512 0 {} 0 272 {} 4.43959 0.05995 0.05970 ++ 0.0 {} {} 1.17246 0.06065 0.06002 ++ 0.0 {} {} 76.87972 2.11722 2.09383 ++ 0.0 {} 0.0 0.1721 0 {} 0 273 {} 4.43786 0.04171 0.05420 ++ 0.0 {} {} 4.32292 0.04512 0.06446 ++ 0.0 {} {} 76.94659 1.96121 3.22248 ++ 0.0 {} 0.0 0.3839 0 {} 0 274 {} 4.43843 0.03969 0.06646 ++ 0.0 {} {} 4.42129 0.05089 0.09202 ++ 0.0 {} {} 76.95543 2.00930 4.55426 ++ 0.0 {} 0.0 1.6689 0 {} 0 275 {} 2.63160 0.03533 0.03384 ++ 0.0 {} {} 5.99910 0.07057 0.06824 ++ 0.0 {} {} 45.19435 2.17406 2.06727 ++ 0.0 {} 0.0 0.1658 0 {} 0 276 {} 3.16546 0.02468 0.03526 ++ 0.0 {} {} 5.99229 0.06575 0.05579 ++ 0.0 {} {} 45.12772 2.10601 1.67843 ++ 0.0 {} 0.0 0.1446 0 {} 0 277 {} 3.33806 0.05154 0.04615 ++ 0.0 {} {} 6.00117 0.07037 0.06371 ++ 0.0 {} {} 30.44536 1.60648 2.29497 ++ 0.0 {} 0.0 0.1528 0 {} 0 278 {} 4.17870 0.01487 0.02124 ++ 0.0 {} {} 5.98768 0.01048 0.01497 ++ 0.0 {} {} 60.44216 0.55213 0.78876 ++ 0.0 {} 0.0 0.1018 0 {} 0 279 {16.HA} 4.56664 0.03702 0.05370 ++ 0.0 {} {16.HA} 4.53945 0.06853 0.09378 ++ 0.0 {} {16.CA} 57.09847 1.81761 3.42753 ++ 0.0 {} 0.0 0.8058 0 {} 0 280 {16.HA} 4.56677 0.03595 0.04096 ++ 0.0 {} {16.HB1} 4.30698 0.07865 0.09765 ++ 0.0 {} {16.CA} 57.06971 1.99392 2.45796 ++ 0.0 {} 0.0 0.3668 0 {} 0 ; save_