data_19312 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19312 _Entry.Title ; Solution NMR Structure of Transcription Factor GATA-4 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR4783B ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-06-20 _Entry.Accession_date 2013-06-20 _Entry.Last_release_date 2013-07-08 _Entry.Original_release_date 2013-07-08 _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 'SOLUTION NMR' _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 Xianzhong Xu . . . 19312 2 Alexander Eletsky . . . 19312 3 Dan Lee . . . 19312 4 Eitan Kohn . . . 19312 5 Haleema Janjua . . . 19312 6 Rong Xiao . . . 19312 7 Thomas Acton . B. . 19312 8 John Everett . K. . 19312 9 Gaetano Montelione . T. . 19312 10 Thomas Szyperski . . . 19312 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 PSI:Biology 'Northeast Structural Genomics Consortium' . 19312 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)' . 19312 'Protein NMR' . 19312 'Protein Structure Initiative' . 19312 PSI-Biology . 19312 'Structural Genomics' . 19312 'Target HR4783B' . 19312 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19312 spectral_peak_list 3 19312 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 253 19312 '15N chemical shifts' 62 19312 '1H chemical shifts' 395 19312 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-07-08 2013-06-20 original author . 19312 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M9W 'BMRB Entry Tracking System' 19312 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 19312 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution NMR Structure of a Transcription Factor GATA-4 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR4783B' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Xianzhong Xu . . . 19312 1 2 Alexander Eletsky . . . 19312 1 3 Dan Lee . . . 19312 1 4 Eitan Kohn . . . 19312 1 5 Haleema Janjua . . . 19312 1 6 Rong Xiao . . . 19312 1 7 Thomas Acton . . . 19312 1 8 John Everett . K. . 19312 1 9 Gaetano Montelione . T. . 19312 1 10 Thomas Szyperski . . . 19312 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19312 _Assembly.ID 1 _Assembly.Name hr4784b _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _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 HR4783B 1 $HR4783B A . yes native no no . . . 19312 1 2 'ZINC ION' 2 $entity_ZN B . no native no no . . . 19312 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 . . 1 . 1 CYS 13 13 SG . 2 . 2 ZN 1 1 ZN . HR4783B 13 CYS SG . 'ZINC ION' 125 ZN ZN+2 19312 1 2 covalent . . 1 . 1 CYS 16 16 SG . 2 . 2 ZN 1 1 ZN . HR4783B 16 CYS SG . 'ZINC ION' 125 ZN ZN+2 19312 1 3 covalent . . 1 . 1 CYS 34 34 SG . 2 . 2 ZN 1 1 ZN . HR4783B 34 CYS SG . 'ZINC ION' 125 ZN ZN+2 19312 1 4 covalent . . 1 . 1 CYS 37 37 SG . 2 . 2 ZN 1 1 ZN . HR4783B 37 CYS SG . 'ZINC ION' 125 ZN ZN+2 19312 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HR4783B _Entity.Sf_category entity _Entity.Sf_framecode HR4783B _Entity.Entry_ID 19312 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HR4783B _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 ; SHMSASRRVGLSCANCQTTT TTLWRRNAEGEPVCNACGLY MKLHGVPRPLAMRKEGIQTR KRK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-3 represent the remained purification His tag after cleavage.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 63 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Transcription factor GATA-4' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7120.694 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2M9W . "Solution Nmr Structure Of Transcription Factor Gata-4 From Homo Sapiens, Northeast Structural Genomics Consortium (nesg) Target" . . . . . 100.00 63 100.00 100.00 1.20e-37 . . . . 19312 1 2 no GB ABG02399 . "GATA binding protein 4 [Bubalus bubalis]" . . . . . 96.83 172 98.36 100.00 1.62e-35 . . . . 19312 1 3 no GB ABM67327 . "GATA4 [Hylobates klossii]" . . . . . 66.67 42 100.00 100.00 2.08e-21 . . . . 19312 1 4 no GB AGC95106 . "GATA binding protein 4, partial [Ictidomys tridecemlineatus]" . . . . . 57.14 146 100.00 100.00 3.26e-17 . . . . 19312 1 5 no GB EHH28277 . "GATA-binding factor 4 [Macaca mulatta]" . . . . . 92.06 304 100.00 100.00 4.82e-33 . . . . 19312 1 6 no GB EHH63983 . "GATA-binding factor 4 [Macaca fascicularis]" . . . . . 92.06 253 100.00 100.00 3.59e-33 . . . . 19312 1 7 no REF XP_005337311 . "PREDICTED: transcription factor GATA-4 [Ictidomys tridecemlineatus]" . . . . . 95.24 213 100.00 100.00 9.15e-36 . . . . 19312 1 8 no REF XP_012962956 . "PREDICTED: transcription factor GATA-4, partial [Anas platyrhynchos]" . . . . . 95.24 179 98.33 98.33 3.53e-35 . . . . 19312 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 1 SER . 19312 1 2 2 HIS . 19312 1 3 3 MET . 19312 1 4 4 SER . 19312 1 5 5 ALA . 19312 1 6 6 SER . 19312 1 7 7 ARG . 19312 1 8 8 ARG . 19312 1 9 9 VAL . 19312 1 10 10 GLY . 19312 1 11 11 LEU . 19312 1 12 12 SER . 19312 1 13 13 CYS . 19312 1 14 14 ALA . 19312 1 15 15 ASN . 19312 1 16 16 CYS . 19312 1 17 17 GLN . 19312 1 18 18 THR . 19312 1 19 19 THR . 19312 1 20 20 THR . 19312 1 21 21 THR . 19312 1 22 22 THR . 19312 1 23 23 LEU . 19312 1 24 24 TRP . 19312 1 25 25 ARG . 19312 1 26 26 ARG . 19312 1 27 27 ASN . 19312 1 28 28 ALA . 19312 1 29 29 GLU . 19312 1 30 30 GLY . 19312 1 31 31 GLU . 19312 1 32 32 PRO . 19312 1 33 33 VAL . 19312 1 34 34 CYS . 19312 1 35 35 ASN . 19312 1 36 36 ALA . 19312 1 37 37 CYS . 19312 1 38 38 GLY . 19312 1 39 39 LEU . 19312 1 40 40 TYR . 19312 1 41 41 MET . 19312 1 42 42 LYS . 19312 1 43 43 LEU . 19312 1 44 44 HIS . 19312 1 45 45 GLY . 19312 1 46 46 VAL . 19312 1 47 47 PRO . 19312 1 48 48 ARG . 19312 1 49 49 PRO . 19312 1 50 50 LEU . 19312 1 51 51 ALA . 19312 1 52 52 MET . 19312 1 53 53 ARG . 19312 1 54 54 LYS . 19312 1 55 55 GLU . 19312 1 56 56 GLY . 19312 1 57 57 ILE . 19312 1 58 58 GLN . 19312 1 59 59 THR . 19312 1 60 60 ARG . 19312 1 61 61 LYS . 19312 1 62 62 ARG . 19312 1 63 63 LYS . 19312 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 . SER 1 1 19312 1 . HIS 2 2 19312 1 . MET 3 3 19312 1 . SER 4 4 19312 1 . ALA 5 5 19312 1 . SER 6 6 19312 1 . ARG 7 7 19312 1 . ARG 8 8 19312 1 . VAL 9 9 19312 1 . GLY 10 10 19312 1 . LEU 11 11 19312 1 . SER 12 12 19312 1 . CYS 13 13 19312 1 . ALA 14 14 19312 1 . ASN 15 15 19312 1 . CYS 16 16 19312 1 . GLN 17 17 19312 1 . THR 18 18 19312 1 . THR 19 19 19312 1 . THR 20 20 19312 1 . THR 21 21 19312 1 . THR 22 22 19312 1 . LEU 23 23 19312 1 . TRP 24 24 19312 1 . ARG 25 25 19312 1 . ARG 26 26 19312 1 . ASN 27 27 19312 1 . ALA 28 28 19312 1 . GLU 29 29 19312 1 . GLY 30 30 19312 1 . GLU 31 31 19312 1 . PRO 32 32 19312 1 . VAL 33 33 19312 1 . CYS 34 34 19312 1 . ASN 35 35 19312 1 . ALA 36 36 19312 1 . CYS 37 37 19312 1 . GLY 38 38 19312 1 . LEU 39 39 19312 1 . TYR 40 40 19312 1 . MET 41 41 19312 1 . LYS 42 42 19312 1 . LEU 43 43 19312 1 . HIS 44 44 19312 1 . GLY 45 45 19312 1 . VAL 46 46 19312 1 . PRO 47 47 19312 1 . ARG 48 48 19312 1 . PRO 49 49 19312 1 . LEU 50 50 19312 1 . ALA 51 51 19312 1 . MET 52 52 19312 1 . ARG 53 53 19312 1 . LYS 54 54 19312 1 . GLU 55 55 19312 1 . GLY 56 56 19312 1 . ILE 57 57 19312 1 . GLN 58 58 19312 1 . THR 59 59 19312 1 . ARG 60 60 19312 1 . LYS 61 61 19312 1 . ARG 62 62 19312 1 . LYS 63 63 19312 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 19312 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 19312 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 19312 2 ZN 'Three letter code' 19312 2 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 1 ZN $chem_comp_ZN 19312 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 19312 2 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 19312 _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 $HR4783B . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . GATA4 . . . . 19312 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 19312 _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 $HR4783B . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)pMgK . . . . . . . . . . . . . . . pET15Nano6HT_NESG . . . . . . 19312 1 2 2 $entity_ZN . 'obtained from a vendor' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19312 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 19312 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _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 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 19312 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 19312 ZN [Zn++] SMILES CACTVS 3.341 19312 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 19312 ZN [Zn+2] SMILES ACDLabs 10.04 19312 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 19312 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19312 ZN 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 zinc 'SYSTEMATIC NAME' ACDLabs 10.04 19312 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19312 ZN 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 ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 19312 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_hr4783b.009 _Sample.Sf_category sample _Sample.Sf_framecode hr4783b.009 _Sample.Entry_ID 19312 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.378 mM HR4783B, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HR4783B.009 '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $HR4783B . . 0.378 . . mM . . . . 19312 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19312 1 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 19312 1 4 Tris-HCl 'natural abundance' . . . . . . 10 . . mM . . . . 19312 1 5 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 19312 1 6 'sodium azide' 'natural abundance' . . . . . . 0..02 . . % . . . . 19312 1 7 'ZINC ION' 'natural abundance' . . . . . . 50 . . uM . . . . 19312 1 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19312 1 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19312 1 stop_ save_ save_hr4783b.005 _Sample.Sf_category sample _Sample.Sf_framecode hr4783b.005 _Sample.Entry_ID 19312 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.156 mM HR4783B, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HR4783B.009 '[U-5% 13C; U-100% 15N]' 1 $assembly 1 $HR4783B . . 0.156 . . mM . . . . 19312 2 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19312 2 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 19312 2 4 Tris-HCl 'natural abundance' . . . . . . 10 . . mM . . . . 19312 2 5 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 19312 2 6 'sodium azide' 'natural abundance' . . . . . . 0..02 . . % . . . . 19312 2 7 'ZINC ION' 'natural abundance' . . . . . . 50 . . uM . . . . 19312 2 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19312 2 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19312 2 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 19312 _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 7.5 . pH 19312 1 pressure 1 . atm 19312 1 temperature 298 . K 19312 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19312 _Software.ID 1 _Software.Name CNS _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19312 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinemen,structure solution,geometry optimization' 19312 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19312 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19312 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinement,geometry optimization,structure solution' 19312 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 19312 _Software.ID 3 _Software.Name AutoStruct _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 19312 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,refinement' 19312 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 19312 _Software.ID 4 _Software.Name AutoAssign _Software.Version 2.3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 19312 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,chemical shift assignment' 19312 4 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 19312 _Software.ID 5 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 19312 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,peak picking,chemical shift assignment' 19312 5 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19312 _Software.ID 6 _Software.Name VNMRJ _Software.Version 2.3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19312 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19312 6 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 19312 _Software.ID 7 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Cornilescu, Delaglio and Bax' . . 19312 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 19312 7 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 19312 _Software.ID 8 _Software.Name PSVS _Software.Version 1.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya, Montelione' . . 19312 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 19312 8 stop_ save_ save_PROSA _Software.Sf_category software _Software.Sf_framecode PROSA _Software.Entry_ID 19312 _Software.ID 9 _Software.Name PROSA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Guntert . . 19312 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19312 9 stop_ save_ save_CSI _Software.Sf_category software _Software.Sf_framecode CSI _Software.Entry_ID 19312 _Software.ID 10 _Software.Name CSI _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(CSI)-Wishart and Sykes' . . 19312 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19312 10 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19312 _Software.ID 11 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(CARA)-Keller and Wuthrich' . . 19312 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19312 11 'data analysis' 19312 11 'peak picking' 19312 11 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 19312 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'HCN,cold probe.' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 19312 _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 . 750 'HCN,cold probe.' 1 $citations 19312 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 19312 _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 $hr4783b.009 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19312 1 2 '2D CT 1H-13C HSQC ali' no . . . . . . . . . . 1 $hr4783b.009 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19312 1 3 '3D HNCO' no . . . . . . . . . . 1 $hr4783b.009 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19312 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $hr4783b.009 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19312 1 5 '3D HNCACB' no . . . . . . . . . . 1 $hr4783b.009 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19312 1 6 '2D CT 1H-13C HSQC aro' no . . . . . . . . . . 1 $hr4783b.009 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19312 1 7 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' no . . . . . . . . . . 1 $hr4783b.009 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19312 1 8 '3D CCH-TOCSY' no . . . . . . . . . . 1 $hr4783b.009 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19312 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $hr4783b.009 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19312 1 10 '2D 1H-15N HSQC_His' no . . . . . . . . . . 1 $hr4783b.009 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19312 1 11 '2D 1H-15N HSQC_wide' no . . . . . . . . . . 1 $hr4783b.009 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19312 1 12 '3D (H)CCH-COSY ali' no . . . . . . . . . . 1 $hr4783b.009 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19312 1 13 '2D 1H-13C HSQC_methyl' no . . . . . . . . . . 2 $hr4783b.005 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19312 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_DSS _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode DSS _Chem_shift_reference.Entry_ID 19312 _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 0.00 na indirect 0.251449530 . . . . . . . . . 19312 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19312 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19312 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_hr4783b.str _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode hr4783b.str _Assigned_chem_shift_list.Entry_ID 19312 _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 $DSS _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _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' . . . 19312 1 2 '2D CT 1H-13C HSQC ali' . . . 19312 1 3 '3D HNCO' . . . 19312 1 4 '3D CBCA(CO)NH' . . . 19312 1 5 '3D HNCACB' . . . 19312 1 6 '2D CT 1H-13C HSQC aro' . . . 19312 1 7 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' . . . 19312 1 8 '3D CCH-TOCSY' . . . 19312 1 9 '3D HBHA(CO)NH' . . . 19312 1 10 '2D 1H-15N HSQC_His' . . . 19312 1 11 '2D 1H-15N HSQC_wide' . . . 19312 1 12 '3D (H)CCH-COSY ali' . . . 19312 1 13 '2D 1H-13C HSQC_methyl' . . . 19312 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 2 2 HIS HD2 H 1 7.002 0.02 . 1 . . . A 2 HIS HD2 . 19312 1 2 . 1 1 2 2 HIS HE1 H 1 7.770 0.02 . 1 . . . A 2 HIS HE1 . 19312 1 3 . 1 1 2 2 HIS CD2 C 13 119.600 0.4 . 1 . . . A 2 HIS CD2 . 19312 1 4 . 1 1 2 2 HIS CE1 C 13 138.733 0.4 . 1 . . . A 2 HIS CE1 . 19312 1 5 . 1 1 2 2 HIS ND1 N 15 228.600 0.4 . 1 . . . A 2 HIS ND1 . 19312 1 6 . 1 1 2 2 HIS NE2 N 15 178.943 0.4 . 1 . . . A 2 HIS NE2 . 19312 1 7 . 1 1 3 3 MET HA H 1 4.446 0.02 . 1 . . . A 3 MET HA . 19312 1 8 . 1 1 3 3 MET HB2 H 1 2.396 0.02 . 1 . . . A 3 MET HB2 . 19312 1 9 . 1 1 3 3 MET HB3 H 1 2.396 0.02 . 1 . . . A 3 MET HB3 . 19312 1 10 . 1 1 3 3 MET HG2 H 1 2.492 0.02 . 2 . . . A 3 MET HG2 . 19312 1 11 . 1 1 3 3 MET HG3 H 1 2.416 0.02 . 2 . . . A 3 MET HG3 . 19312 1 12 . 1 1 3 3 MET HE1 H 1 2.068 0.02 . 1 . . . A 3 MET HE1 . 19312 1 13 . 1 1 3 3 MET HE2 H 1 2.068 0.02 . 1 . . . A 3 MET HE2 . 19312 1 14 . 1 1 3 3 MET HE3 H 1 2.068 0.02 . 1 . . . A 3 MET HE3 . 19312 1 15 . 1 1 3 3 MET CA C 13 55.519 0.4 . 1 . . . A 3 MET CA . 19312 1 16 . 1 1 3 3 MET CB C 13 31.326 0.4 . 1 . . . A 3 MET CB . 19312 1 17 . 1 1 3 3 MET CG C 13 31.738 0.4 . 1 . . . A 3 MET CG . 19312 1 18 . 1 1 3 3 MET CE C 13 16.759 0.4 . 1 . . . A 3 MET CE . 19312 1 19 . 1 1 5 5 ALA HA H 1 4.331 0.02 . 1 . . . A 5 ALA HA . 19312 1 20 . 1 1 5 5 ALA HB1 H 1 1.418 0.02 . 1 . . . A 5 ALA HB1 . 19312 1 21 . 1 1 5 5 ALA HB2 H 1 1.418 0.02 . 1 . . . A 5 ALA HB2 . 19312 1 22 . 1 1 5 5 ALA HB3 H 1 1.418 0.02 . 1 . . . A 5 ALA HB3 . 19312 1 23 . 1 1 5 5 ALA CA C 13 52.790 0.4 . 1 . . . A 5 ALA CA . 19312 1 24 . 1 1 5 5 ALA CB C 13 18.994 0.4 . 1 . . . A 5 ALA CB . 19312 1 25 . 1 1 6 6 SER H H 1 8.188 0.02 . 1 . . . A 6 SER H . 19312 1 26 . 1 1 6 6 SER HA H 1 4.396 0.02 . 1 . . . A 6 SER HA . 19312 1 27 . 1 1 6 6 SER HB2 H 1 3.860 0.02 . 1 . . . A 6 SER HB2 . 19312 1 28 . 1 1 6 6 SER HB3 H 1 3.860 0.02 . 1 . . . A 6 SER HB3 . 19312 1 29 . 1 1 6 6 SER C C 13 174.599 0.4 . 1 . . . A 6 SER C . 19312 1 30 . 1 1 6 6 SER CA C 13 58.426 0.4 . 1 . . . A 6 SER CA . 19312 1 31 . 1 1 6 6 SER CB C 13 63.600 0.4 . 1 . . . A 6 SER CB . 19312 1 32 . 1 1 6 6 SER N N 15 114.306 0.4 . 1 . . . A 6 SER N . 19312 1 33 . 1 1 7 7 ARG H H 1 8.174 0.02 . 1 . . . A 7 ARG H . 19312 1 34 . 1 1 7 7 ARG C C 13 173.973 0.4 . 1 . . . A 7 ARG C . 19312 1 35 . 1 1 7 7 ARG CA C 13 55.973 0.4 . 1 . . . A 7 ARG CA . 19312 1 36 . 1 1 7 7 ARG CB C 13 30.636 0.4 . 1 . . . A 7 ARG CB . 19312 1 37 . 1 1 7 7 ARG CD C 13 43.300 0.4 . 1 . . . A 7 ARG CD . 19312 1 38 . 1 1 7 7 ARG N N 15 122.597 0.4 . 1 . . . A 7 ARG N . 19312 1 39 . 1 1 8 8 ARG H H 1 8.310 0.02 . 1 . . . A 8 ARG H . 19312 1 40 . 1 1 8 8 ARG HA H 1 4.345 0.02 . 1 . . . A 8 ARG HA . 19312 1 41 . 1 1 8 8 ARG C C 13 176.078 0.4 . 1 . . . A 8 ARG C . 19312 1 42 . 1 1 8 8 ARG CA C 13 55.944 0.4 . 1 . . . A 8 ARG CA . 19312 1 43 . 1 1 8 8 ARG CB C 13 30.600 0.4 . 1 . . . A 8 ARG CB . 19312 1 44 . 1 1 8 8 ARG CD C 13 43.300 0.4 . 1 . . . A 8 ARG CD . 19312 1 45 . 1 1 8 8 ARG N N 15 122.661 0.4 . 1 . . . A 8 ARG N . 19312 1 46 . 1 1 9 9 VAL H H 1 8.044 0.02 . 1 . . . A 9 VAL H . 19312 1 47 . 1 1 9 9 VAL HA H 1 4.143 0.02 . 1 . . . A 9 VAL HA . 19312 1 48 . 1 1 9 9 VAL HB H 1 2.053 0.02 . 1 . . . A 9 VAL HB . 19312 1 49 . 1 1 9 9 VAL HG11 H 1 0.912 0.02 . 1 . . . A 9 VAL HG11 . 19312 1 50 . 1 1 9 9 VAL HG12 H 1 0.912 0.02 . 1 . . . A 9 VAL HG12 . 19312 1 51 . 1 1 9 9 VAL HG13 H 1 0.912 0.02 . 1 . . . A 9 VAL HG13 . 19312 1 52 . 1 1 9 9 VAL HG21 H 1 0.918 0.02 . 1 . . . A 9 VAL HG21 . 19312 1 53 . 1 1 9 9 VAL HG22 H 1 0.918 0.02 . 1 . . . A 9 VAL HG22 . 19312 1 54 . 1 1 9 9 VAL HG23 H 1 0.918 0.02 . 1 . . . A 9 VAL HG23 . 19312 1 55 . 1 1 9 9 VAL C C 13 176.228 0.4 . 1 . . . A 9 VAL C . 19312 1 56 . 1 1 9 9 VAL CA C 13 61.926 0.4 . 1 . . . A 9 VAL CA . 19312 1 57 . 1 1 9 9 VAL CB C 13 32.884 0.4 . 1 . . . A 9 VAL CB . 19312 1 58 . 1 1 9 9 VAL CG1 C 13 20.979 0.4 . 1 . . . A 9 VAL CG1 . 19312 1 59 . 1 1 9 9 VAL CG2 C 13 20.229 0.4 . 1 . . . A 9 VAL CG2 . 19312 1 60 . 1 1 9 9 VAL N N 15 120.364 0.4 . 1 . . . A 9 VAL N . 19312 1 61 . 1 1 10 10 GLY H H 1 8.359 0.02 . 1 . . . A 10 GLY H . 19312 1 62 . 1 1 10 10 GLY HA2 H 1 3.888 0.02 . 1 . . . A 10 GLY HA2 . 19312 1 63 . 1 1 10 10 GLY HA3 H 1 3.888 0.02 . 1 . . . A 10 GLY HA3 . 19312 1 64 . 1 1 10 10 GLY C C 13 173.297 0.4 . 1 . . . A 10 GLY C . 19312 1 65 . 1 1 10 10 GLY CA C 13 44.861 0.4 . 1 . . . A 10 GLY CA . 19312 1 66 . 1 1 10 10 GLY N N 15 112.431 0.4 . 1 . . . A 10 GLY N . 19312 1 67 . 1 1 11 11 LEU H H 1 7.791 0.02 . 1 . . . A 11 LEU H . 19312 1 68 . 1 1 11 11 LEU HA H 1 4.020 0.02 . 1 . . . A 11 LEU HA . 19312 1 69 . 1 1 11 11 LEU HB2 H 1 0.284 0.02 . 2 . . . A 11 LEU HB2 . 19312 1 70 . 1 1 11 11 LEU HB3 H 1 0.758 0.02 . 2 . . . A 11 LEU HB3 . 19312 1 71 . 1 1 11 11 LEU HG H 1 0.933 0.02 . 1 . . . A 11 LEU HG . 19312 1 72 . 1 1 11 11 LEU HD11 H 1 0.103 0.02 . 1 . . . A 11 LEU HD11 . 19312 1 73 . 1 1 11 11 LEU HD12 H 1 0.103 0.02 . 1 . . . A 11 LEU HD12 . 19312 1 74 . 1 1 11 11 LEU HD13 H 1 0.103 0.02 . 1 . . . A 11 LEU HD13 . 19312 1 75 . 1 1 11 11 LEU HD21 H 1 0.267 0.02 . 1 . . . A 11 LEU HD21 . 19312 1 76 . 1 1 11 11 LEU HD22 H 1 0.267 0.02 . 1 . . . A 11 LEU HD22 . 19312 1 77 . 1 1 11 11 LEU HD23 H 1 0.267 0.02 . 1 . . . A 11 LEU HD23 . 19312 1 78 . 1 1 11 11 LEU C C 13 175.329 0.4 . 1 . . . A 11 LEU C . 19312 1 79 . 1 1 11 11 LEU CA C 13 54.681 0.4 . 1 . . . A 11 LEU CA . 19312 1 80 . 1 1 11 11 LEU CB C 13 41.985 0.4 . 1 . . . A 11 LEU CB . 19312 1 81 . 1 1 11 11 LEU CG C 13 26.347 0.4 . 1 . . . A 11 LEU CG . 19312 1 82 . 1 1 11 11 LEU CD1 C 13 23.775 0.4 . 1 . . . A 11 LEU CD1 . 19312 1 83 . 1 1 11 11 LEU CD2 C 13 22.993 0.4 . 1 . . . A 11 LEU CD2 . 19312 1 84 . 1 1 11 11 LEU N N 15 122.163 0.4 . 1 . . . A 11 LEU N . 19312 1 85 . 1 1 12 12 SER H H 1 7.370 0.02 . 1 . . . A 12 SER H . 19312 1 86 . 1 1 12 12 SER HA H 1 5.008 0.02 . 1 . . . A 12 SER HA . 19312 1 87 . 1 1 12 12 SER HB2 H 1 3.454 0.02 . 2 . . . A 12 SER HB2 . 19312 1 88 . 1 1 12 12 SER HB3 H 1 3.533 0.02 . 2 . . . A 12 SER HB3 . 19312 1 89 . 1 1 12 12 SER C C 13 172.984 0.4 . 1 . . . A 12 SER C . 19312 1 90 . 1 1 12 12 SER CA C 13 56.015 0.4 . 1 . . . A 12 SER CA . 19312 1 91 . 1 1 12 12 SER CB C 13 65.417 0.4 . 1 . . . A 12 SER CB . 19312 1 92 . 1 1 12 12 SER N N 15 113.571 0.4 . 1 . . . A 12 SER N . 19312 1 93 . 1 1 13 13 CYS H H 1 8.847 0.02 . 1 . . . A 13 CYS H . 19312 1 94 . 1 1 13 13 CYS HA H 1 4.436 0.02 . 1 . . . A 13 CYS HA . 19312 1 95 . 1 1 13 13 CYS HB2 H 1 3.017 0.02 . 1 . . . A 13 CYS HB2 . 19312 1 96 . 1 1 13 13 CYS HB3 H 1 3.486 0.02 . 1 . . . A 13 CYS HB3 . 19312 1 97 . 1 1 13 13 CYS C C 13 177.379 0.4 . 1 . . . A 13 CYS C . 19312 1 98 . 1 1 13 13 CYS CA C 13 59.612 0.4 . 1 . . . A 13 CYS CA . 19312 1 99 . 1 1 13 13 CYS CB C 13 31.140 0.4 . 1 . . . A 13 CYS CB . 19312 1 100 . 1 1 13 13 CYS N N 15 123.033 0.4 . 1 . . . A 13 CYS N . 19312 1 101 . 1 1 14 14 ALA H H 1 9.562 0.02 . 1 . . . A 14 ALA H . 19312 1 102 . 1 1 14 14 ALA HA H 1 4.166 0.02 . 1 . . . A 14 ALA HA . 19312 1 103 . 1 1 14 14 ALA HB1 H 1 1.443 0.02 . 1 . . . A 14 ALA HB1 . 19312 1 104 . 1 1 14 14 ALA HB2 H 1 1.443 0.02 . 1 . . . A 14 ALA HB2 . 19312 1 105 . 1 1 14 14 ALA HB3 H 1 1.443 0.02 . 1 . . . A 14 ALA HB3 . 19312 1 106 . 1 1 14 14 ALA C C 13 177.542 0.4 . 1 . . . A 14 ALA C . 19312 1 107 . 1 1 14 14 ALA CA C 13 55.009 0.4 . 1 . . . A 14 ALA CA . 19312 1 108 . 1 1 14 14 ALA CB C 13 18.984 0.4 . 1 . . . A 14 ALA CB . 19312 1 109 . 1 1 14 14 ALA N N 15 133.515 0.4 . 1 . . . A 14 ALA N . 19312 1 110 . 1 1 15 15 ASN H H 1 9.082 0.02 . 1 . . . A 15 ASN H . 19312 1 111 . 1 1 15 15 ASN HA H 1 4.982 0.02 . 1 . . . A 15 ASN HA . 19312 1 112 . 1 1 15 15 ASN HB2 H 1 2.696 0.02 . 1 . . . A 15 ASN HB2 . 19312 1 113 . 1 1 15 15 ASN HB3 H 1 3.517 0.02 . 1 . . . A 15 ASN HB3 . 19312 1 114 . 1 1 15 15 ASN HD21 H 1 8.712 0.02 . 1 . . . A 15 ASN HD21 . 19312 1 115 . 1 1 15 15 ASN HD22 H 1 7.603 0.02 . 1 . . . A 15 ASN HD22 . 19312 1 116 . 1 1 15 15 ASN C C 13 174.972 0.4 . 1 . . . A 15 ASN C . 19312 1 117 . 1 1 15 15 ASN CA C 13 55.785 0.4 . 1 . . . A 15 ASN CA . 19312 1 118 . 1 1 15 15 ASN CB C 13 40.025 0.4 . 1 . . . A 15 ASN CB . 19312 1 119 . 1 1 15 15 ASN N N 15 116.510 0.4 . 1 . . . A 15 ASN N . 19312 1 120 . 1 1 15 15 ASN ND2 N 15 118.438 0.4 . 1 . . . A 15 ASN ND2 . 19312 1 121 . 1 1 16 16 CYS H H 1 8.754 0.02 . 1 . . . A 16 CYS H . 19312 1 122 . 1 1 16 16 CYS HA H 1 4.915 0.02 . 1 . . . A 16 CYS HA . 19312 1 123 . 1 1 16 16 CYS HB2 H 1 3.284 0.02 . 2 . . . A 16 CYS HB2 . 19312 1 124 . 1 1 16 16 CYS HB3 H 1 2.434 0.02 . 2 . . . A 16 CYS HB3 . 19312 1 125 . 1 1 16 16 CYS C C 13 176.148 0.4 . 1 . . . A 16 CYS C . 19312 1 126 . 1 1 16 16 CYS CA C 13 59.148 0.4 . 1 . . . A 16 CYS CA . 19312 1 127 . 1 1 16 16 CYS CB C 13 33.675 0.4 . 1 . . . A 16 CYS CB . 19312 1 128 . 1 1 16 16 CYS N N 15 118.086 0.4 . 1 . . . A 16 CYS N . 19312 1 129 . 1 1 17 17 GLN H H 1 8.154 0.02 . 1 . . . A 17 GLN H . 19312 1 130 . 1 1 17 17 GLN HA H 1 4.283 0.02 . 1 . . . A 17 GLN HA . 19312 1 131 . 1 1 17 17 GLN HB2 H 1 2.369 0.02 . 2 . . . A 17 GLN HB2 . 19312 1 132 . 1 1 17 17 GLN HB3 H 1 2.501 0.02 . 2 . . . A 17 GLN HB3 . 19312 1 133 . 1 1 17 17 GLN HG2 H 1 2.268 0.02 . 1 . . . A 17 GLN HG2 . 19312 1 134 . 1 1 17 17 GLN HG3 H 1 2.268 0.02 . 1 . . . A 17 GLN HG3 . 19312 1 135 . 1 1 17 17 GLN HE21 H 1 7.240 0.02 . 2 . . . A 17 GLN HE21 . 19312 1 136 . 1 1 17 17 GLN HE22 H 1 6.507 0.02 . 2 . . . A 17 GLN HE22 . 19312 1 137 . 1 1 17 17 GLN C C 13 175.056 0.4 . 1 . . . A 17 GLN C . 19312 1 138 . 1 1 17 17 GLN CA C 13 58.268 0.4 . 1 . . . A 17 GLN CA . 19312 1 139 . 1 1 17 17 GLN CB C 13 25.963 0.4 . 1 . . . A 17 GLN CB . 19312 1 140 . 1 1 17 17 GLN CG C 13 34.462 0.4 . 1 . . . A 17 GLN CG . 19312 1 141 . 1 1 17 17 GLN N N 15 115.957 0.4 . 1 . . . A 17 GLN N . 19312 1 142 . 1 1 17 17 GLN NE2 N 15 112.208 0.4 . 1 . . . A 17 GLN NE2 . 19312 1 143 . 1 1 18 18 THR H H 1 8.570 0.02 . 1 . . . A 18 THR H . 19312 1 144 . 1 1 18 18 THR HA H 1 4.572 0.02 . 1 . . . A 18 THR HA . 19312 1 145 . 1 1 18 18 THR HB H 1 4.609 0.02 . 1 . . . A 18 THR HB . 19312 1 146 . 1 1 18 18 THR HG21 H 1 1.183 0.02 . 1 . . . A 18 THR HG21 . 19312 1 147 . 1 1 18 18 THR HG22 H 1 1.183 0.02 . 1 . . . A 18 THR HG22 . 19312 1 148 . 1 1 18 18 THR HG23 H 1 1.183 0.02 . 1 . . . A 18 THR HG23 . 19312 1 149 . 1 1 18 18 THR C C 13 173.541 0.4 . 1 . . . A 18 THR C . 19312 1 150 . 1 1 18 18 THR CA C 13 63.333 0.4 . 1 . . . A 18 THR CA . 19312 1 151 . 1 1 18 18 THR CB C 13 68.470 0.4 . 1 . . . A 18 THR CB . 19312 1 152 . 1 1 18 18 THR CG2 C 13 21.965 0.4 . 1 . . . A 18 THR CG2 . 19312 1 153 . 1 1 18 18 THR N N 15 116.736 0.4 . 1 . . . A 18 THR N . 19312 1 154 . 1 1 19 19 THR H H 1 8.210 0.02 . 1 . . . A 19 THR H . 19312 1 155 . 1 1 19 19 THR HA H 1 5.110 0.02 . 1 . . . A 19 THR HA . 19312 1 156 . 1 1 19 19 THR HB H 1 4.763 0.02 . 1 . . . A 19 THR HB . 19312 1 157 . 1 1 19 19 THR HG21 H 1 1.338 0.02 . 1 . . . A 19 THR HG21 . 19312 1 158 . 1 1 19 19 THR HG22 H 1 1.338 0.02 . 1 . . . A 19 THR HG22 . 19312 1 159 . 1 1 19 19 THR HG23 H 1 1.338 0.02 . 1 . . . A 19 THR HG23 . 19312 1 160 . 1 1 19 19 THR C C 13 175.052 0.4 . 1 . . . A 19 THR C . 19312 1 161 . 1 1 19 19 THR CA C 13 61.201 0.4 . 1 . . . A 19 THR CA . 19312 1 162 . 1 1 19 19 THR CB C 13 69.800 0.4 . 1 . . . A 19 THR CB . 19312 1 163 . 1 1 19 19 THR CG2 C 13 21.482 0.4 . 1 . . . A 19 THR CG2 . 19312 1 164 . 1 1 19 19 THR N N 15 112.629 0.4 . 1 . . . A 19 THR N . 19312 1 165 . 1 1 20 20 THR H H 1 8.289 0.02 . 1 . . . A 20 THR H . 19312 1 166 . 1 1 20 20 THR HA H 1 4.806 0.02 . 1 . . . A 20 THR HA . 19312 1 167 . 1 1 20 20 THR HB H 1 4.006 0.02 . 1 . . . A 20 THR HB . 19312 1 168 . 1 1 20 20 THR HG21 H 1 1.152 0.02 . 1 . . . A 20 THR HG21 . 19312 1 169 . 1 1 20 20 THR HG22 H 1 1.152 0.02 . 1 . . . A 20 THR HG22 . 19312 1 170 . 1 1 20 20 THR HG23 H 1 1.152 0.02 . 1 . . . A 20 THR HG23 . 19312 1 171 . 1 1 20 20 THR C C 13 171.976 0.4 . 1 . . . A 20 THR C . 19312 1 172 . 1 1 20 20 THR CA C 13 60.247 0.4 . 1 . . . A 20 THR CA . 19312 1 173 . 1 1 20 20 THR CB C 13 70.586 0.4 . 1 . . . A 20 THR CB . 19312 1 174 . 1 1 20 20 THR CG2 C 13 20.655 0.4 . 1 . . . A 20 THR CG2 . 19312 1 175 . 1 1 20 20 THR N N 15 117.956 0.4 . 1 . . . A 20 THR N . 19312 1 176 . 1 1 21 21 THR H H 1 7.935 0.02 . 1 . . . A 21 THR H . 19312 1 177 . 1 1 21 21 THR HA H 1 4.473 0.02 . 1 . . . A 21 THR HA . 19312 1 178 . 1 1 21 21 THR HB H 1 3.721 0.02 . 1 . . . A 21 THR HB . 19312 1 179 . 1 1 21 21 THR HG21 H 1 -0.757 0.02 . 1 . . . A 21 THR HG21 . 19312 1 180 . 1 1 21 21 THR HG22 H 1 -0.757 0.02 . 1 . . . A 21 THR HG22 . 19312 1 181 . 1 1 21 21 THR HG23 H 1 -0.757 0.02 . 1 . . . A 21 THR HG23 . 19312 1 182 . 1 1 21 21 THR CA C 13 60.102 0.4 . 1 . . . A 21 THR CA . 19312 1 183 . 1 1 21 21 THR CB C 13 67.491 0.4 . 1 . . . A 21 THR CB . 19312 1 184 . 1 1 21 21 THR CG2 C 13 15.353 0.4 . 1 . . . A 21 THR CG2 . 19312 1 185 . 1 1 21 21 THR N N 15 117.356 0.4 . 1 . . . A 21 THR N . 19312 1 186 . 1 1 22 22 THR HA H 1 4.146 0.02 . 1 . . . A 22 THR HA . 19312 1 187 . 1 1 22 22 THR HB H 1 4.188 0.02 . 1 . . . A 22 THR HB . 19312 1 188 . 1 1 22 22 THR HG21 H 1 1.227 0.02 . 1 . . . A 22 THR HG21 . 19312 1 189 . 1 1 22 22 THR HG22 H 1 1.227 0.02 . 1 . . . A 22 THR HG22 . 19312 1 190 . 1 1 22 22 THR HG23 H 1 1.227 0.02 . 1 . . . A 22 THR HG23 . 19312 1 191 . 1 1 22 22 THR C C 13 174.768 0.4 . 1 . . . A 22 THR C . 19312 1 192 . 1 1 22 22 THR CA C 13 62.686 0.4 . 1 . . . A 22 THR CA . 19312 1 193 . 1 1 22 22 THR CB C 13 68.860 0.4 . 1 . . . A 22 THR CB . 19312 1 194 . 1 1 22 22 THR CG2 C 13 22.275 0.4 . 1 . . . A 22 THR CG2 . 19312 1 195 . 1 1 23 23 LEU H H 1 6.977 0.02 . 1 . . . A 23 LEU H . 19312 1 196 . 1 1 23 23 LEU HA H 1 4.335 0.02 . 1 . . . A 23 LEU HA . 19312 1 197 . 1 1 23 23 LEU HB2 H 1 1.442 0.02 . 1 . . . A 23 LEU HB2 . 19312 1 198 . 1 1 23 23 LEU HB3 H 1 1.442 0.02 . 1 . . . A 23 LEU HB3 . 19312 1 199 . 1 1 23 23 LEU HG H 1 1.346 0.02 . 1 . . . A 23 LEU HG . 19312 1 200 . 1 1 23 23 LEU HD11 H 1 0.922 0.02 . 1 . . . A 23 LEU HD11 . 19312 1 201 . 1 1 23 23 LEU HD12 H 1 0.922 0.02 . 1 . . . A 23 LEU HD12 . 19312 1 202 . 1 1 23 23 LEU HD13 H 1 0.922 0.02 . 1 . . . A 23 LEU HD13 . 19312 1 203 . 1 1 23 23 LEU HD21 H 1 0.771 0.02 . 1 . . . A 23 LEU HD21 . 19312 1 204 . 1 1 23 23 LEU HD22 H 1 0.771 0.02 . 1 . . . A 23 LEU HD22 . 19312 1 205 . 1 1 23 23 LEU HD23 H 1 0.771 0.02 . 1 . . . A 23 LEU HD23 . 19312 1 206 . 1 1 23 23 LEU C C 13 173.967 0.4 . 1 . . . A 23 LEU C . 19312 1 207 . 1 1 23 23 LEU CA C 13 55.281 0.4 . 1 . . . A 23 LEU CA . 19312 1 208 . 1 1 23 23 LEU CB C 13 44.591 0.4 . 1 . . . A 23 LEU CB . 19312 1 209 . 1 1 23 23 LEU CG C 13 26.974 0.4 . 1 . . . A 23 LEU CG . 19312 1 210 . 1 1 23 23 LEU CD1 C 13 23.787 0.4 . 1 . . . A 23 LEU CD1 . 19312 1 211 . 1 1 23 23 LEU CD2 C 13 25.200 0.4 . 1 . . . A 23 LEU CD2 . 19312 1 212 . 1 1 23 23 LEU N N 15 123.337 0.4 . 1 . . . A 23 LEU N . 19312 1 213 . 1 1 24 24 TRP H H 1 8.410 0.02 . 1 . . . A 24 TRP H . 19312 1 214 . 1 1 24 24 TRP HA H 1 4.634 0.02 . 1 . . . A 24 TRP HA . 19312 1 215 . 1 1 24 24 TRP HB2 H 1 3.024 0.02 . 1 . . . A 24 TRP HB2 . 19312 1 216 . 1 1 24 24 TRP HB3 H 1 3.141 0.02 . 1 . . . A 24 TRP HB3 . 19312 1 217 . 1 1 24 24 TRP HD1 H 1 7.179 0.02 . 1 . . . A 24 TRP HD1 . 19312 1 218 . 1 1 24 24 TRP HE1 H 1 9.993 0.02 . 1 . . . A 24 TRP HE1 . 19312 1 219 . 1 1 24 24 TRP HE3 H 1 7.295 0.02 . 1 . . . A 24 TRP HE3 . 19312 1 220 . 1 1 24 24 TRP HZ2 H 1 7.053 0.02 . 1 . . . A 24 TRP HZ2 . 19312 1 221 . 1 1 24 24 TRP HZ3 H 1 6.317 0.02 . 1 . . . A 24 TRP HZ3 . 19312 1 222 . 1 1 24 24 TRP HH2 H 1 7.071 0.02 . 1 . . . A 24 TRP HH2 . 19312 1 223 . 1 1 24 24 TRP C C 13 176.694 0.4 . 1 . . . A 24 TRP C . 19312 1 224 . 1 1 24 24 TRP CA C 13 57.089 0.4 . 1 . . . A 24 TRP CA . 19312 1 225 . 1 1 24 24 TRP CB C 13 29.782 0.4 . 1 . . . A 24 TRP CB . 19312 1 226 . 1 1 24 24 TRP CD1 C 13 126.693 0.4 . 1 . . . A 24 TRP CD1 . 19312 1 227 . 1 1 24 24 TRP CE3 C 13 120.108 0.4 . 1 . . . A 24 TRP CE3 . 19312 1 228 . 1 1 24 24 TRP CZ2 C 13 114.469 0.4 . 1 . . . A 24 TRP CZ2 . 19312 1 229 . 1 1 24 24 TRP CZ3 C 13 119.269 0.4 . 1 . . . A 24 TRP CZ3 . 19312 1 230 . 1 1 24 24 TRP CH2 C 13 123.425 0.4 . 1 . . . A 24 TRP CH2 . 19312 1 231 . 1 1 24 24 TRP N N 15 124.656 0.4 . 1 . . . A 24 TRP N . 19312 1 232 . 1 1 24 24 TRP NE1 N 15 128.070 0.4 . 1 . . . A 24 TRP NE1 . 19312 1 233 . 1 1 25 25 ARG H H 1 9.147 0.02 . 1 . . . A 25 ARG H . 19312 1 234 . 1 1 25 25 ARG HA H 1 4.659 0.02 . 1 . . . A 25 ARG HA . 19312 1 235 . 1 1 25 25 ARG HB2 H 1 1.411 0.02 . 1 . . . A 25 ARG HB2 . 19312 1 236 . 1 1 25 25 ARG HB3 H 1 2.032 0.02 . 1 . . . A 25 ARG HB3 . 19312 1 237 . 1 1 25 25 ARG HG2 H 1 1.495 0.02 . 2 . . . A 25 ARG HG2 . 19312 1 238 . 1 1 25 25 ARG HG3 H 1 1.638 0.02 . 2 . . . A 25 ARG HG3 . 19312 1 239 . 1 1 25 25 ARG HD2 H 1 3.079 0.02 . 2 . . . A 25 ARG HD2 . 19312 1 240 . 1 1 25 25 ARG HD3 H 1 3.258 0.02 . 2 . . . A 25 ARG HD3 . 19312 1 241 . 1 1 25 25 ARG C C 13 175.388 0.4 . 1 . . . A 25 ARG C . 19312 1 242 . 1 1 25 25 ARG CA C 13 54.300 0.4 . 1 . . . A 25 ARG CA . 19312 1 243 . 1 1 25 25 ARG CB C 13 32.756 0.4 . 1 . . . A 25 ARG CB . 19312 1 244 . 1 1 25 25 ARG CG C 13 29.090 0.4 . 1 . . . A 25 ARG CG . 19312 1 245 . 1 1 25 25 ARG CD C 13 43.676 0.4 . 1 . . . A 25 ARG CD . 19312 1 246 . 1 1 25 25 ARG N N 15 124.317 0.4 . 1 . . . A 25 ARG N . 19312 1 247 . 1 1 26 26 ARG H H 1 8.329 0.02 . 1 . . . A 26 ARG H . 19312 1 248 . 1 1 26 26 ARG HA H 1 5.375 0.02 . 1 . . . A 26 ARG HA . 19312 1 249 . 1 1 26 26 ARG HB2 H 1 1.622 0.02 . 2 . . . A 26 ARG HB2 . 19312 1 250 . 1 1 26 26 ARG HB3 H 1 1.708 0.02 . 2 . . . A 26 ARG HB3 . 19312 1 251 . 1 1 26 26 ARG HG2 H 1 1.485 0.02 . 2 . . . A 26 ARG HG2 . 19312 1 252 . 1 1 26 26 ARG HG3 H 1 1.623 0.02 . 2 . . . A 26 ARG HG3 . 19312 1 253 . 1 1 26 26 ARG HD2 H 1 3.014 0.02 . 1 . . . A 26 ARG HD2 . 19312 1 254 . 1 1 26 26 ARG HD3 H 1 3.014 0.02 . 1 . . . A 26 ARG HD3 . 19312 1 255 . 1 1 26 26 ARG C C 13 176.947 0.4 . 1 . . . A 26 ARG C . 19312 1 256 . 1 1 26 26 ARG CA C 13 54.256 0.4 . 1 . . . A 26 ARG CA . 19312 1 257 . 1 1 26 26 ARG CB C 13 33.981 0.4 . 1 . . . A 26 ARG CB . 19312 1 258 . 1 1 26 26 ARG CG C 13 26.586 0.4 . 1 . . . A 26 ARG CG . 19312 1 259 . 1 1 26 26 ARG CD C 13 43.297 0.4 . 1 . . . A 26 ARG CD . 19312 1 260 . 1 1 26 26 ARG N N 15 119.065 0.4 . 1 . . . A 26 ARG N . 19312 1 261 . 1 1 27 27 ASN H H 1 8.852 0.02 . 1 . . . A 27 ASN H . 19312 1 262 . 1 1 27 27 ASN HA H 1 4.854 0.02 . 1 . . . A 27 ASN HA . 19312 1 263 . 1 1 27 27 ASN HB2 H 1 3.619 0.02 . 1 . . . A 27 ASN HB2 . 19312 1 264 . 1 1 27 27 ASN HB3 H 1 2.868 0.02 . 1 . . . A 27 ASN HB3 . 19312 1 265 . 1 1 27 27 ASN HD21 H 1 7.499 0.02 . 1 . . . A 27 ASN HD21 . 19312 1 266 . 1 1 27 27 ASN HD22 H 1 7.769 0.02 . 1 . . . A 27 ASN HD22 . 19312 1 267 . 1 1 27 27 ASN C C 13 177.469 0.4 . 1 . . . A 27 ASN C . 19312 1 268 . 1 1 27 27 ASN CA C 13 50.644 0.4 . 1 . . . A 27 ASN CA . 19312 1 269 . 1 1 27 27 ASN CB C 13 38.667 0.4 . 1 . . . A 27 ASN CB . 19312 1 270 . 1 1 27 27 ASN N N 15 121.087 0.4 . 1 . . . A 27 ASN N . 19312 1 271 . 1 1 27 27 ASN ND2 N 15 111.725 0.4 . 1 . . . A 27 ASN ND2 . 19312 1 272 . 1 1 28 28 ALA H H 1 8.565 0.02 . 1 . . . A 28 ALA H . 19312 1 273 . 1 1 28 28 ALA HA H 1 4.100 0.02 . 1 . . . A 28 ALA HA . 19312 1 274 . 1 1 28 28 ALA HB1 H 1 1.457 0.02 . 1 . . . A 28 ALA HB1 . 19312 1 275 . 1 1 28 28 ALA HB2 H 1 1.457 0.02 . 1 . . . A 28 ALA HB2 . 19312 1 276 . 1 1 28 28 ALA HB3 H 1 1.457 0.02 . 1 . . . A 28 ALA HB3 . 19312 1 277 . 1 1 28 28 ALA C C 13 178.729 0.4 . 1 . . . A 28 ALA C . 19312 1 278 . 1 1 28 28 ALA CA C 13 54.930 0.4 . 1 . . . A 28 ALA CA . 19312 1 279 . 1 1 28 28 ALA CB C 13 18.157 0.4 . 1 . . . A 28 ALA CB . 19312 1 280 . 1 1 28 28 ALA N N 15 121.634 0.4 . 1 . . . A 28 ALA N . 19312 1 281 . 1 1 29 29 GLU H H 1 7.670 0.02 . 1 . . . A 29 GLU H . 19312 1 282 . 1 1 29 29 GLU HA H 1 4.322 0.02 . 1 . . . A 29 GLU HA . 19312 1 283 . 1 1 29 29 GLU HB2 H 1 2.016 0.02 . 1 . . . A 29 GLU HB2 . 19312 1 284 . 1 1 29 29 GLU HB3 H 1 2.236 0.02 . 1 . . . A 29 GLU HB3 . 19312 1 285 . 1 1 29 29 GLU HG2 H 1 2.193 0.02 . 2 . . . A 29 GLU HG2 . 19312 1 286 . 1 1 29 29 GLU HG3 H 1 2.341 0.02 . 2 . . . A 29 GLU HG3 . 19312 1 287 . 1 1 29 29 GLU C C 13 176.463 0.4 . 1 . . . A 29 GLU C . 19312 1 288 . 1 1 29 29 GLU CA C 13 56.619 0.4 . 1 . . . A 29 GLU CA . 19312 1 289 . 1 1 29 29 GLU CB C 13 29.211 0.4 . 1 . . . A 29 GLU CB . 19312 1 290 . 1 1 29 29 GLU CG C 13 37.087 0.4 . 1 . . . A 29 GLU CG . 19312 1 291 . 1 1 29 29 GLU N N 15 115.497 0.4 . 1 . . . A 29 GLU N . 19312 1 292 . 1 1 30 30 GLY H H 1 8.186 0.02 . 1 . . . A 30 GLY H . 19312 1 293 . 1 1 30 30 GLY HA2 H 1 4.271 0.02 . 2 . . . A 30 GLY HA2 . 19312 1 294 . 1 1 30 30 GLY HA3 H 1 3.600 0.02 . 2 . . . A 30 GLY HA3 . 19312 1 295 . 1 1 30 30 GLY C C 13 174.292 0.4 . 1 . . . A 30 GLY C . 19312 1 296 . 1 1 30 30 GLY CA C 13 45.254 0.4 . 1 . . . A 30 GLY CA . 19312 1 297 . 1 1 30 30 GLY N N 15 107.426 0.4 . 1 . . . A 30 GLY N . 19312 1 298 . 1 1 31 31 GLU H H 1 8.250 0.02 . 1 . . . A 31 GLU H . 19312 1 299 . 1 1 31 31 GLU HA H 1 4.624 0.02 . 1 . . . A 31 GLU HA . 19312 1 300 . 1 1 31 31 GLU HB2 H 1 1.896 0.02 . 1 . . . A 31 GLU HB2 . 19312 1 301 . 1 1 31 31 GLU HB3 H 1 2.058 0.02 . 1 . . . A 31 GLU HB3 . 19312 1 302 . 1 1 31 31 GLU HG2 H 1 2.112 0.02 . 2 . . . A 31 GLU HG2 . 19312 1 303 . 1 1 31 31 GLU HG3 H 1 2.256 0.02 . 2 . . . A 31 GLU HG3 . 19312 1 304 . 1 1 31 31 GLU C C 13 174.006 0.4 . 1 . . . A 31 GLU C . 19312 1 305 . 1 1 31 31 GLU CA C 13 53.489 0.4 . 1 . . . A 31 GLU CA . 19312 1 306 . 1 1 31 31 GLU CB C 13 29.221 0.4 . 1 . . . A 31 GLU CB . 19312 1 307 . 1 1 31 31 GLU CG C 13 36.004 0.4 . 1 . . . A 31 GLU CG . 19312 1 308 . 1 1 31 31 GLU N N 15 122.429 0.4 . 1 . . . A 31 GLU N . 19312 1 309 . 1 1 32 32 PRO HA H 1 5.010 0.02 . 1 . . . A 32 PRO HA . 19312 1 310 . 1 1 32 32 PRO HB2 H 1 1.788 0.02 . 2 . . . A 32 PRO HB2 . 19312 1 311 . 1 1 32 32 PRO HB3 H 1 1.885 0.02 . 2 . . . A 32 PRO HB3 . 19312 1 312 . 1 1 32 32 PRO HG2 H 1 1.774 0.02 . 2 . . . A 32 PRO HG2 . 19312 1 313 . 1 1 32 32 PRO HG3 H 1 2.254 0.02 . 2 . . . A 32 PRO HG3 . 19312 1 314 . 1 1 32 32 PRO HD2 H 1 3.799 0.02 . 1 . . . A 32 PRO HD2 . 19312 1 315 . 1 1 32 32 PRO HD3 H 1 3.799 0.02 . 1 . . . A 32 PRO HD3 . 19312 1 316 . 1 1 32 32 PRO C C 13 176.167 0.4 . 1 . . . A 32 PRO C . 19312 1 317 . 1 1 32 32 PRO CA C 13 62.722 0.4 . 1 . . . A 32 PRO CA . 19312 1 318 . 1 1 32 32 PRO CB C 13 32.031 0.4 . 1 . . . A 32 PRO CB . 19312 1 319 . 1 1 32 32 PRO CG C 13 27.571 0.4 . 1 . . . A 32 PRO CG . 19312 1 320 . 1 1 32 32 PRO CD C 13 50.240 0.4 . 1 . . . A 32 PRO CD . 19312 1 321 . 1 1 33 33 VAL H H 1 8.513 0.02 . 1 . . . A 33 VAL H . 19312 1 322 . 1 1 33 33 VAL HA H 1 5.741 0.02 . 1 . . . A 33 VAL HA . 19312 1 323 . 1 1 33 33 VAL HB H 1 2.236 0.02 . 1 . . . A 33 VAL HB . 19312 1 324 . 1 1 33 33 VAL HG11 H 1 1.157 0.02 . 1 . . . A 33 VAL HG11 . 19312 1 325 . 1 1 33 33 VAL HG12 H 1 1.157 0.02 . 1 . . . A 33 VAL HG12 . 19312 1 326 . 1 1 33 33 VAL HG13 H 1 1.157 0.02 . 1 . . . A 33 VAL HG13 . 19312 1 327 . 1 1 33 33 VAL HG21 H 1 0.751 0.02 . 1 . . . A 33 VAL HG21 . 19312 1 328 . 1 1 33 33 VAL HG22 H 1 0.751 0.02 . 1 . . . A 33 VAL HG22 . 19312 1 329 . 1 1 33 33 VAL HG23 H 1 0.751 0.02 . 1 . . . A 33 VAL HG23 . 19312 1 330 . 1 1 33 33 VAL C C 13 174.756 0.4 . 1 . . . A 33 VAL C . 19312 1 331 . 1 1 33 33 VAL CA C 13 58.759 0.4 . 1 . . . A 33 VAL CA . 19312 1 332 . 1 1 33 33 VAL CB C 13 36.799 0.4 . 1 . . . A 33 VAL CB . 19312 1 333 . 1 1 33 33 VAL CG1 C 13 23.113 0.4 . 1 . . . A 33 VAL CG1 . 19312 1 334 . 1 1 33 33 VAL CG2 C 13 19.164 0.4 . 1 . . . A 33 VAL CG2 . 19312 1 335 . 1 1 33 33 VAL N N 15 114.800 0.4 . 1 . . . A 33 VAL N . 19312 1 336 . 1 1 34 34 CYS H H 1 9.818 0.02 . 1 . . . A 34 CYS H . 19312 1 337 . 1 1 34 34 CYS HA H 1 4.225 0.02 . 1 . . . A 34 CYS HA . 19312 1 338 . 1 1 34 34 CYS HB2 H 1 2.464 0.02 . 2 . . . A 34 CYS HB2 . 19312 1 339 . 1 1 34 34 CYS HB3 H 1 2.990 0.02 . 2 . . . A 34 CYS HB3 . 19312 1 340 . 1 1 34 34 CYS C C 13 174.890 0.4 . 1 . . . A 34 CYS C . 19312 1 341 . 1 1 34 34 CYS CA C 13 57.946 0.4 . 1 . . . A 34 CYS CA . 19312 1 342 . 1 1 34 34 CYS CB C 13 31.054 0.4 . 1 . . . A 34 CYS CB . 19312 1 343 . 1 1 34 34 CYS N N 15 121.864 0.4 . 1 . . . A 34 CYS N . 19312 1 344 . 1 1 35 35 ASN H H 1 7.848 0.02 . 1 . . . A 35 ASN H . 19312 1 345 . 1 1 35 35 ASN HA H 1 4.084 0.02 . 1 . . . A 35 ASN HA . 19312 1 346 . 1 1 35 35 ASN HB2 H 1 2.710 0.02 . 2 . . . A 35 ASN HB2 . 19312 1 347 . 1 1 35 35 ASN HB3 H 1 3.234 0.02 . 2 . . . A 35 ASN HB3 . 19312 1 348 . 1 1 35 35 ASN HD21 H 1 7.531 0.02 . 2 . . . A 35 ASN HD21 . 19312 1 349 . 1 1 35 35 ASN HD22 H 1 6.925 0.02 . 2 . . . A 35 ASN HD22 . 19312 1 350 . 1 1 35 35 ASN C C 13 176.491 0.4 . 1 . . . A 35 ASN C . 19312 1 351 . 1 1 35 35 ASN CA C 13 57.609 0.4 . 1 . . . A 35 ASN CA . 19312 1 352 . 1 1 35 35 ASN CB C 13 39.471 0.4 . 1 . . . A 35 ASN CB . 19312 1 353 . 1 1 35 35 ASN N N 15 118.528 0.4 . 1 . . . A 35 ASN N . 19312 1 354 . 1 1 35 35 ASN ND2 N 15 114.250 0.4 . 1 . . . A 35 ASN ND2 . 19312 1 355 . 1 1 36 36 ALA H H 1 8.173 0.02 . 1 . . . A 36 ALA H . 19312 1 356 . 1 1 36 36 ALA HA H 1 4.138 0.02 . 1 . . . A 36 ALA HA . 19312 1 357 . 1 1 36 36 ALA HB1 H 1 1.514 0.02 . 1 . . . A 36 ALA HB1 . 19312 1 358 . 1 1 36 36 ALA HB2 H 1 1.514 0.02 . 1 . . . A 36 ALA HB2 . 19312 1 359 . 1 1 36 36 ALA HB3 H 1 1.514 0.02 . 1 . . . A 36 ALA HB3 . 19312 1 360 . 1 1 36 36 ALA C C 13 181.983 0.4 . 1 . . . A 36 ALA C . 19312 1 361 . 1 1 36 36 ALA CA C 13 55.564 0.4 . 1 . . . A 36 ALA CA . 19312 1 362 . 1 1 36 36 ALA CB C 13 18.382 0.4 . 1 . . . A 36 ALA CB . 19312 1 363 . 1 1 36 36 ALA N N 15 119.132 0.4 . 1 . . . A 36 ALA N . 19312 1 364 . 1 1 37 37 CYS H H 1 9.277 0.02 . 1 . . . A 37 CYS H . 19312 1 365 . 1 1 37 37 CYS HA H 1 4.014 0.02 . 1 . . . A 37 CYS HA . 19312 1 366 . 1 1 37 37 CYS HB2 H 1 3.146 0.02 . 1 . . . A 37 CYS HB2 . 19312 1 367 . 1 1 37 37 CYS HB3 H 1 3.300 0.02 . 1 . . . A 37 CYS HB3 . 19312 1 368 . 1 1 37 37 CYS C C 13 179.567 0.4 . 1 . . . A 37 CYS C . 19312 1 369 . 1 1 37 37 CYS CA C 13 65.467 0.4 . 1 . . . A 37 CYS CA . 19312 1 370 . 1 1 37 37 CYS CB C 13 28.909 0.4 . 1 . . . A 37 CYS CB . 19312 1 371 . 1 1 37 37 CYS N N 15 122.296 0.4 . 1 . . . A 37 CYS N . 19312 1 372 . 1 1 38 38 GLY H H 1 9.307 0.02 . 1 . . . A 38 GLY H . 19312 1 373 . 1 1 38 38 GLY HA2 H 1 3.920 0.02 . 2 . . . A 38 GLY HA2 . 19312 1 374 . 1 1 38 38 GLY HA3 H 1 3.528 0.02 . 2 . . . A 38 GLY HA3 . 19312 1 375 . 1 1 38 38 GLY C C 13 176.325 0.4 . 1 . . . A 38 GLY C . 19312 1 376 . 1 1 38 38 GLY CA C 13 47.455 0.4 . 1 . . . A 38 GLY CA . 19312 1 377 . 1 1 38 38 GLY N N 15 109.645 0.4 . 1 . . . A 38 GLY N . 19312 1 378 . 1 1 39 39 LEU H H 1 8.744 0.02 . 1 . . . A 39 LEU H . 19312 1 379 . 1 1 39 39 LEU HA H 1 4.064 0.02 . 1 . . . A 39 LEU HA . 19312 1 380 . 1 1 39 39 LEU HB2 H 1 1.773 0.02 . 1 . . . A 39 LEU HB2 . 19312 1 381 . 1 1 39 39 LEU HB3 H 1 1.517 0.02 . 1 . . . A 39 LEU HB3 . 19312 1 382 . 1 1 39 39 LEU HG H 1 1.662 0.02 . 1 . . . A 39 LEU HG . 19312 1 383 . 1 1 39 39 LEU HD11 H 1 0.850 0.02 . 1 . . . A 39 LEU HD11 . 19312 1 384 . 1 1 39 39 LEU HD12 H 1 0.850 0.02 . 1 . . . A 39 LEU HD12 . 19312 1 385 . 1 1 39 39 LEU HD13 H 1 0.850 0.02 . 1 . . . A 39 LEU HD13 . 19312 1 386 . 1 1 39 39 LEU HD21 H 1 0.838 0.02 . 1 . . . A 39 LEU HD21 . 19312 1 387 . 1 1 39 39 LEU HD22 H 1 0.838 0.02 . 1 . . . A 39 LEU HD22 . 19312 1 388 . 1 1 39 39 LEU HD23 H 1 0.838 0.02 . 1 . . . A 39 LEU HD23 . 19312 1 389 . 1 1 39 39 LEU C C 13 178.462 0.4 . 1 . . . A 39 LEU C . 19312 1 390 . 1 1 39 39 LEU CA C 13 57.752 0.4 . 1 . . . A 39 LEU CA . 19312 1 391 . 1 1 39 39 LEU CB C 13 41.782 0.4 . 1 . . . A 39 LEU CB . 19312 1 392 . 1 1 39 39 LEU CG C 13 26.829 0.4 . 1 . . . A 39 LEU CG . 19312 1 393 . 1 1 39 39 LEU CD1 C 13 24.821 0.4 . 1 . . . A 39 LEU CD1 . 19312 1 394 . 1 1 39 39 LEU CD2 C 13 23.072 0.4 . 1 . . . A 39 LEU CD2 . 19312 1 395 . 1 1 39 39 LEU N N 15 123.534 0.4 . 1 . . . A 39 LEU N . 19312 1 396 . 1 1 40 40 TYR H H 1 7.838 0.02 . 1 . . . A 40 TYR H . 19312 1 397 . 1 1 40 40 TYR HA H 1 4.079 0.02 . 1 . . . A 40 TYR HA . 19312 1 398 . 1 1 40 40 TYR HB2 H 1 3.208 0.02 . 1 . . . A 40 TYR HB2 . 19312 1 399 . 1 1 40 40 TYR HB3 H 1 3.208 0.02 . 1 . . . A 40 TYR HB3 . 19312 1 400 . 1 1 40 40 TYR HD1 H 1 7.327 0.02 . 1 . . . A 40 TYR HD1 . 19312 1 401 . 1 1 40 40 TYR HD2 H 1 7.327 0.02 . 1 . . . A 40 TYR HD2 . 19312 1 402 . 1 1 40 40 TYR HE1 H 1 6.603 0.02 . 1 . . . A 40 TYR HE1 . 19312 1 403 . 1 1 40 40 TYR HE2 H 1 6.603 0.02 . 1 . . . A 40 TYR HE2 . 19312 1 404 . 1 1 40 40 TYR C C 13 178.192 0.4 . 1 . . . A 40 TYR C . 19312 1 405 . 1 1 40 40 TYR CA C 13 62.219 0.4 . 1 . . . A 40 TYR CA . 19312 1 406 . 1 1 40 40 TYR CB C 13 39.741 0.4 . 1 . . . A 40 TYR CB . 19312 1 407 . 1 1 40 40 TYR CD1 C 13 133.838 0.4 . 1 . . . A 40 TYR CD1 . 19312 1 408 . 1 1 40 40 TYR CD2 C 13 133.838 0.4 . 1 . . . A 40 TYR CD2 . 19312 1 409 . 1 1 40 40 TYR CE1 C 13 118.521 0.4 . 1 . . . A 40 TYR CE1 . 19312 1 410 . 1 1 40 40 TYR CE2 C 13 118.521 0.4 . 1 . . . A 40 TYR CE2 . 19312 1 411 . 1 1 40 40 TYR N N 15 119.827 0.4 . 1 . . . A 40 TYR N . 19312 1 412 . 1 1 41 41 MET H H 1 7.848 0.02 . 1 . . . A 41 MET H . 19312 1 413 . 1 1 41 41 MET HA H 1 4.532 0.02 . 1 . . . A 41 MET HA . 19312 1 414 . 1 1 41 41 MET HB2 H 1 2.242 0.02 . 2 . . . A 41 MET HB2 . 19312 1 415 . 1 1 41 41 MET HB3 H 1 2.219 0.02 . 2 . . . A 41 MET HB3 . 19312 1 416 . 1 1 41 41 MET HG2 H 1 2.434 0.02 . 2 . . . A 41 MET HG2 . 19312 1 417 . 1 1 41 41 MET HG3 H 1 2.803 0.02 . 2 . . . A 41 MET HG3 . 19312 1 418 . 1 1 41 41 MET HE1 H 1 2.044 0.02 . 1 . . . A 41 MET HE1 . 19312 1 419 . 1 1 41 41 MET HE2 H 1 2.044 0.02 . 1 . . . A 41 MET HE2 . 19312 1 420 . 1 1 41 41 MET HE3 H 1 2.044 0.02 . 1 . . . A 41 MET HE3 . 19312 1 421 . 1 1 41 41 MET C C 13 179.203 0.4 . 1 . . . A 41 MET C . 19312 1 422 . 1 1 41 41 MET CA C 13 57.683 0.4 . 1 . . . A 41 MET CA . 19312 1 423 . 1 1 41 41 MET CB C 13 31.780 0.4 . 1 . . . A 41 MET CB . 19312 1 424 . 1 1 41 41 MET CG C 13 32.230 0.4 . 1 . . . A 41 MET CG . 19312 1 425 . 1 1 41 41 MET CE C 13 17.383 0.4 . 1 . . . A 41 MET CE . 19312 1 426 . 1 1 41 41 MET N N 15 117.089 0.4 . 1 . . . A 41 MET N . 19312 1 427 . 1 1 42 42 LYS H H 1 7.795 0.02 . 1 . . . A 42 LYS H . 19312 1 428 . 1 1 42 42 LYS HA H 1 4.021 0.02 . 1 . . . A 42 LYS HA . 19312 1 429 . 1 1 42 42 LYS HB2 H 1 1.953 0.02 . 2 . . . A 42 LYS HB2 . 19312 1 430 . 1 1 42 42 LYS HB3 H 1 1.932 0.02 . 2 . . . A 42 LYS HB3 . 19312 1 431 . 1 1 42 42 LYS HG2 H 1 1.408 0.02 . 2 . . . A 42 LYS HG2 . 19312 1 432 . 1 1 42 42 LYS HG3 H 1 1.503 0.02 . 2 . . . A 42 LYS HG3 . 19312 1 433 . 1 1 42 42 LYS HD2 H 1 1.680 0.02 . 2 . . . A 42 LYS HD2 . 19312 1 434 . 1 1 42 42 LYS HD3 H 1 1.628 0.02 . 2 . . . A 42 LYS HD3 . 19312 1 435 . 1 1 42 42 LYS HE2 H 1 2.981 0.02 . 1 . . . A 42 LYS HE2 . 19312 1 436 . 1 1 42 42 LYS HE3 H 1 2.981 0.02 . 1 . . . A 42 LYS HE3 . 19312 1 437 . 1 1 42 42 LYS C C 13 177.902 0.4 . 1 . . . A 42 LYS C . 19312 1 438 . 1 1 42 42 LYS CA C 13 58.892 0.4 . 1 . . . A 42 LYS CA . 19312 1 439 . 1 1 42 42 LYS CB C 13 32.333 0.4 . 1 . . . A 42 LYS CB . 19312 1 440 . 1 1 42 42 LYS CG C 13 24.607 0.4 . 1 . . . A 42 LYS CG . 19312 1 441 . 1 1 42 42 LYS CD C 13 29.022 0.4 . 1 . . . A 42 LYS CD . 19312 1 442 . 1 1 42 42 LYS CE C 13 41.879 0.4 . 1 . . . A 42 LYS CE . 19312 1 443 . 1 1 42 42 LYS N N 15 120.513 0.4 . 1 . . . A 42 LYS N . 19312 1 444 . 1 1 43 43 LEU H H 1 7.780 0.02 . 1 . . . A 43 LEU H . 19312 1 445 . 1 1 43 43 LEU HA H 1 4.030 0.02 . 1 . . . A 43 LEU HA . 19312 1 446 . 1 1 43 43 LEU HB2 H 1 1.300 0.02 . 1 . . . A 43 LEU HB2 . 19312 1 447 . 1 1 43 43 LEU HB3 H 1 0.901 0.02 . 1 . . . A 43 LEU HB3 . 19312 1 448 . 1 1 43 43 LEU HG H 1 1.165 0.02 . 1 . . . A 43 LEU HG . 19312 1 449 . 1 1 43 43 LEU HD11 H 1 0.725 0.02 . 1 . . . A 43 LEU HD11 . 19312 1 450 . 1 1 43 43 LEU HD12 H 1 0.725 0.02 . 1 . . . A 43 LEU HD12 . 19312 1 451 . 1 1 43 43 LEU HD13 H 1 0.725 0.02 . 1 . . . A 43 LEU HD13 . 19312 1 452 . 1 1 43 43 LEU HD21 H 1 0.652 0.02 . 1 . . . A 43 LEU HD21 . 19312 1 453 . 1 1 43 43 LEU HD22 H 1 0.652 0.02 . 1 . . . A 43 LEU HD22 . 19312 1 454 . 1 1 43 43 LEU HD23 H 1 0.652 0.02 . 1 . . . A 43 LEU HD23 . 19312 1 455 . 1 1 43 43 LEU C C 13 178.555 0.4 . 1 . . . A 43 LEU C . 19312 1 456 . 1 1 43 43 LEU CA C 13 56.779 0.4 . 1 . . . A 43 LEU CA . 19312 1 457 . 1 1 43 43 LEU CB C 13 42.406 0.4 . 1 . . . A 43 LEU CB . 19312 1 458 . 1 1 43 43 LEU CG C 13 26.544 0.4 . 1 . . . A 43 LEU CG . 19312 1 459 . 1 1 43 43 LEU CD1 C 13 23.980 0.4 . 1 . . . A 43 LEU CD1 . 19312 1 460 . 1 1 43 43 LEU CD2 C 13 23.391 0.4 . 1 . . . A 43 LEU CD2 . 19312 1 461 . 1 1 43 43 LEU N N 15 117.559 0.4 . 1 . . . A 43 LEU N . 19312 1 462 . 1 1 44 44 HIS H H 1 8.367 0.02 . 1 . . . A 44 HIS H . 19312 1 463 . 1 1 44 44 HIS HA H 1 4.653 0.02 . 1 . . . A 44 HIS HA . 19312 1 464 . 1 1 44 44 HIS HB2 H 1 2.694 0.02 . 1 . . . A 44 HIS HB2 . 19312 1 465 . 1 1 44 44 HIS HB3 H 1 3.067 0.02 . 1 . . . A 44 HIS HB3 . 19312 1 466 . 1 1 44 44 HIS HD2 H 1 5.524 0.02 . 1 . . . A 44 HIS HD2 . 19312 1 467 . 1 1 44 44 HIS HE1 H 1 7.629 0.02 . 1 . . . A 44 HIS HE1 . 19312 1 468 . 1 1 44 44 HIS C C 13 176.699 0.4 . 1 . . . A 44 HIS C . 19312 1 469 . 1 1 44 44 HIS CA C 13 56.739 0.4 . 1 . . . A 44 HIS CA . 19312 1 470 . 1 1 44 44 HIS CB C 13 31.966 0.4 . 1 . . . A 44 HIS CB . 19312 1 471 . 1 1 44 44 HIS CD2 C 13 120.819 0.4 . 1 . . . A 44 HIS CD2 . 19312 1 472 . 1 1 44 44 HIS CE1 C 13 137.907 0.4 . 1 . . . A 44 HIS CE1 . 19312 1 473 . 1 1 44 44 HIS N N 15 113.809 0.4 . 1 . . . A 44 HIS N . 19312 1 474 . 1 1 45 45 GLY H H 1 8.534 0.02 . 1 . . . A 45 GLY H . 19312 1 475 . 1 1 45 45 GLY HA2 H 1 3.930 0.02 . 2 . . . A 45 GLY HA2 . 19312 1 476 . 1 1 45 45 GLY HA3 H 1 4.151 0.02 . 2 . . . A 45 GLY HA3 . 19312 1 477 . 1 1 45 45 GLY C C 13 172.853 0.4 . 1 . . . A 45 GLY C . 19312 1 478 . 1 1 45 45 GLY CA C 13 46.083 0.4 . 1 . . . A 45 GLY CA . 19312 1 479 . 1 1 45 45 GLY N N 15 108.589 0.4 . 1 . . . A 45 GLY N . 19312 1 480 . 1 1 46 46 VAL H H 1 7.365 0.02 . 1 . . . A 46 VAL H . 19312 1 481 . 1 1 46 46 VAL HA H 1 4.762 0.02 . 1 . . . A 46 VAL HA . 19312 1 482 . 1 1 46 46 VAL HB H 1 2.323 0.02 . 1 . . . A 46 VAL HB . 19312 1 483 . 1 1 46 46 VAL HG11 H 1 1.027 0.02 . 1 . . . A 46 VAL HG11 . 19312 1 484 . 1 1 46 46 VAL HG12 H 1 1.027 0.02 . 1 . . . A 46 VAL HG12 . 19312 1 485 . 1 1 46 46 VAL HG13 H 1 1.027 0.02 . 1 . . . A 46 VAL HG13 . 19312 1 486 . 1 1 46 46 VAL HG21 H 1 0.911 0.02 . 1 . . . A 46 VAL HG21 . 19312 1 487 . 1 1 46 46 VAL HG22 H 1 0.911 0.02 . 1 . . . A 46 VAL HG22 . 19312 1 488 . 1 1 46 46 VAL HG23 H 1 0.911 0.02 . 1 . . . A 46 VAL HG23 . 19312 1 489 . 1 1 46 46 VAL C C 13 171.867 0.4 . 1 . . . A 46 VAL C . 19312 1 490 . 1 1 46 46 VAL CA C 13 57.556 0.4 . 1 . . . A 46 VAL CA . 19312 1 491 . 1 1 46 46 VAL CB C 13 33.456 0.4 . 1 . . . A 46 VAL CB . 19312 1 492 . 1 1 46 46 VAL CG1 C 13 22.080 0.4 . 1 . . . A 46 VAL CG1 . 19312 1 493 . 1 1 46 46 VAL CG2 C 13 18.604 0.4 . 1 . . . A 46 VAL CG2 . 19312 1 494 . 1 1 46 46 VAL N N 15 112.990 0.4 . 1 . . . A 46 VAL N . 19312 1 495 . 1 1 47 47 PRO HA H 1 4.615 0.02 . 1 . . . A 47 PRO HA . 19312 1 496 . 1 1 47 47 PRO HB2 H 1 2.187 0.02 . 2 . . . A 47 PRO HB2 . 19312 1 497 . 1 1 47 47 PRO HB3 H 1 1.741 0.02 . 2 . . . A 47 PRO HB3 . 19312 1 498 . 1 1 47 47 PRO HG2 H 1 1.922 0.02 . 2 . . . A 47 PRO HG2 . 19312 1 499 . 1 1 47 47 PRO HG3 H 1 2.012 0.02 . 2 . . . A 47 PRO HG3 . 19312 1 500 . 1 1 47 47 PRO HD2 H 1 3.639 0.02 . 1 . . . A 47 PRO HD2 . 19312 1 501 . 1 1 47 47 PRO HD3 H 1 3.756 0.02 . 1 . . . A 47 PRO HD3 . 19312 1 502 . 1 1 47 47 PRO C C 13 176.310 0.4 . 1 . . . A 47 PRO C . 19312 1 503 . 1 1 47 47 PRO CA C 13 61.715 0.4 . 1 . . . A 47 PRO CA . 19312 1 504 . 1 1 47 47 PRO CB C 13 32.124 0.4 . 1 . . . A 47 PRO CB . 19312 1 505 . 1 1 47 47 PRO CG C 13 27.596 0.4 . 1 . . . A 47 PRO CG . 19312 1 506 . 1 1 47 47 PRO CD C 13 50.352 0.4 . 1 . . . A 47 PRO CD . 19312 1 507 . 1 1 48 48 ARG H H 1 8.759 0.02 . 1 . . . A 48 ARG H . 19312 1 508 . 1 1 48 48 ARG HA H 1 3.134 0.02 . 1 . . . A 48 ARG HA . 19312 1 509 . 1 1 48 48 ARG HB2 H 1 1.147 0.02 . 1 . . . A 48 ARG HB2 . 19312 1 510 . 1 1 48 48 ARG HB3 H 1 1.687 0.02 . 1 . . . A 48 ARG HB3 . 19312 1 511 . 1 1 48 48 ARG HG2 H 1 0.788 0.02 . 2 . . . A 48 ARG HG2 . 19312 1 512 . 1 1 48 48 ARG HG3 H 1 1.247 0.02 . 2 . . . A 48 ARG HG3 . 19312 1 513 . 1 1 48 48 ARG HD2 H 1 2.881 0.02 . 2 . . . A 48 ARG HD2 . 19312 1 514 . 1 1 48 48 ARG HD3 H 1 3.262 0.02 . 2 . . . A 48 ARG HD3 . 19312 1 515 . 1 1 48 48 ARG C C 13 174.677 0.4 . 1 . . . A 48 ARG C . 19312 1 516 . 1 1 48 48 ARG CA C 13 54.500 0.4 . 1 . . . A 48 ARG CA . 19312 1 517 . 1 1 48 48 ARG CB C 13 32.836 0.4 . 1 . . . A 48 ARG CB . 19312 1 518 . 1 1 48 48 ARG CG C 13 27.210 0.4 . 1 . . . A 48 ARG CG . 19312 1 519 . 1 1 48 48 ARG CD C 13 43.910 0.4 . 1 . . . A 48 ARG CD . 19312 1 520 . 1 1 48 48 ARG N N 15 123.227 0.4 . 1 . . . A 48 ARG N . 19312 1 521 . 1 1 49 49 PRO HA H 1 4.311 0.02 . 1 . . . A 49 PRO HA . 19312 1 522 . 1 1 49 49 PRO HB2 H 1 2.187 0.02 . 2 . . . A 49 PRO HB2 . 19312 1 523 . 1 1 49 49 PRO HB3 H 1 1.776 0.02 . 2 . . . A 49 PRO HB3 . 19312 1 524 . 1 1 49 49 PRO HG2 H 1 1.884 0.02 . 1 . . . A 49 PRO HG2 . 19312 1 525 . 1 1 49 49 PRO HG3 H 1 1.884 0.02 . 1 . . . A 49 PRO HG3 . 19312 1 526 . 1 1 49 49 PRO HD2 H 1 2.905 0.02 . 2 . . . A 49 PRO HD2 . 19312 1 527 . 1 1 49 49 PRO HD3 H 1 3.643 0.02 . 2 . . . A 49 PRO HD3 . 19312 1 528 . 1 1 49 49 PRO C C 13 176.503 0.4 . 1 . . . A 49 PRO C . 19312 1 529 . 1 1 49 49 PRO CA C 13 62.433 0.4 . 1 . . . A 49 PRO CA . 19312 1 530 . 1 1 49 49 PRO CB C 13 32.063 0.4 . 1 . . . A 49 PRO CB . 19312 1 531 . 1 1 49 49 PRO CG C 13 27.150 0.4 . 1 . . . A 49 PRO CG . 19312 1 532 . 1 1 49 49 PRO CD C 13 51.761 0.4 . 1 . . . A 49 PRO CD . 19312 1 533 . 1 1 50 50 LEU H H 1 8.282 0.02 . 1 . . . A 50 LEU H . 19312 1 534 . 1 1 50 50 LEU HA H 1 4.279 0.02 . 1 . . . A 50 LEU HA . 19312 1 535 . 1 1 50 50 LEU HB2 H 1 1.592 0.02 . 1 . . . A 50 LEU HB2 . 19312 1 536 . 1 1 50 50 LEU HB3 H 1 1.512 0.02 . 1 . . . A 50 LEU HB3 . 19312 1 537 . 1 1 50 50 LEU HG H 1 1.675 0.02 . 1 . . . A 50 LEU HG . 19312 1 538 . 1 1 50 50 LEU HD11 H 1 0.870 0.02 . 1 . . . A 50 LEU HD11 . 19312 1 539 . 1 1 50 50 LEU HD12 H 1 0.870 0.02 . 1 . . . A 50 LEU HD12 . 19312 1 540 . 1 1 50 50 LEU HD13 H 1 0.870 0.02 . 1 . . . A 50 LEU HD13 . 19312 1 541 . 1 1 50 50 LEU HD21 H 1 0.724 0.02 . 1 . . . A 50 LEU HD21 . 19312 1 542 . 1 1 50 50 LEU HD22 H 1 0.724 0.02 . 1 . . . A 50 LEU HD22 . 19312 1 543 . 1 1 50 50 LEU HD23 H 1 0.724 0.02 . 1 . . . A 50 LEU HD23 . 19312 1 544 . 1 1 50 50 LEU C C 13 177.387 0.4 . 1 . . . A 50 LEU C . 19312 1 545 . 1 1 50 50 LEU CA C 13 54.535 0.4 . 1 . . . A 50 LEU CA . 19312 1 546 . 1 1 50 50 LEU CB C 13 42.345 0.4 . 1 . . . A 50 LEU CB . 19312 1 547 . 1 1 50 50 LEU CG C 13 26.725 0.4 . 1 . . . A 50 LEU CG . 19312 1 548 . 1 1 50 50 LEU CD1 C 13 25.195 0.4 . 1 . . . A 50 LEU CD1 . 19312 1 549 . 1 1 50 50 LEU CD2 C 13 23.014 0.4 . 1 . . . A 50 LEU CD2 . 19312 1 550 . 1 1 50 50 LEU N N 15 122.599 0.4 . 1 . . . A 50 LEU N . 19312 1 551 . 1 1 51 51 ALA H H 1 8.202 0.02 . 1 . . . A 51 ALA H . 19312 1 552 . 1 1 51 51 ALA HA H 1 4.246 0.02 . 1 . . . A 51 ALA HA . 19312 1 553 . 1 1 51 51 ALA HB1 H 1 1.345 0.02 . 1 . . . A 51 ALA HB1 . 19312 1 554 . 1 1 51 51 ALA HB2 H 1 1.345 0.02 . 1 . . . A 51 ALA HB2 . 19312 1 555 . 1 1 51 51 ALA HB3 H 1 1.345 0.02 . 1 . . . A 51 ALA HB3 . 19312 1 556 . 1 1 51 51 ALA C C 13 177.611 0.4 . 1 . . . A 51 ALA C . 19312 1 557 . 1 1 51 51 ALA CA C 13 52.471 0.4 . 1 . . . A 51 ALA CA . 19312 1 558 . 1 1 51 51 ALA CB C 13 18.978 0.4 . 1 . . . A 51 ALA CB . 19312 1 559 . 1 1 51 51 ALA N N 15 123.340 0.4 . 1 . . . A 51 ALA N . 19312 1 560 . 1 1 52 52 MET H H 1 8.161 0.02 . 1 . . . A 52 MET H . 19312 1 561 . 1 1 52 52 MET HA H 1 4.414 0.02 . 1 . . . A 52 MET HA . 19312 1 562 . 1 1 52 52 MET HB2 H 1 1.954 0.02 . 2 . . . A 52 MET HB2 . 19312 1 563 . 1 1 52 52 MET HB3 H 1 2.048 0.02 . 2 . . . A 52 MET HB3 . 19312 1 564 . 1 1 52 52 MET HE1 H 1 2.094 0.02 . 1 . . . A 52 MET HE1 . 19312 1 565 . 1 1 52 52 MET HE2 H 1 2.094 0.02 . 1 . . . A 52 MET HE2 . 19312 1 566 . 1 1 52 52 MET HE3 H 1 2.094 0.02 . 1 . . . A 52 MET HE3 . 19312 1 567 . 1 1 52 52 MET C C 13 175.998 0.4 . 1 . . . A 52 MET C . 19312 1 568 . 1 1 52 52 MET CA C 13 55.392 0.4 . 1 . . . A 52 MET CA . 19312 1 569 . 1 1 52 52 MET CB C 13 32.700 0.4 . 1 . . . A 52 MET CB . 19312 1 570 . 1 1 52 52 MET CE C 13 17.079 0.4 . 1 . . . A 52 MET CE . 19312 1 571 . 1 1 52 52 MET N N 15 118.463 0.4 . 1 . . . A 52 MET N . 19312 1 572 . 1 1 53 53 ARG H H 1 8.234 0.02 . 1 . . . A 53 ARG H . 19312 1 573 . 1 1 53 53 ARG HA H 1 4.331 0.02 . 1 . . . A 53 ARG HA . 19312 1 574 . 1 1 53 53 ARG HB2 H 1 1.764 0.02 . 1 . . . A 53 ARG HB2 . 19312 1 575 . 1 1 53 53 ARG HB3 H 1 1.764 0.02 . 1 . . . A 53 ARG HB3 . 19312 1 576 . 1 1 53 53 ARG C C 13 176.025 0.4 . 1 . . . A 53 ARG C . 19312 1 577 . 1 1 53 53 ARG CA C 13 56.000 0.4 . 1 . . . A 53 ARG CA . 19312 1 578 . 1 1 53 53 ARG CB C 13 30.547 0.4 . 1 . . . A 53 ARG CB . 19312 1 579 . 1 1 53 53 ARG N N 15 122.298 0.4 . 1 . . . A 53 ARG N . 19312 1 580 . 1 1 54 54 LYS H H 1 8.377 0.02 . 1 . . . A 54 LYS H . 19312 1 581 . 1 1 54 54 LYS HA H 1 4.294 0.02 . 1 . . . A 54 LYS HA . 19312 1 582 . 1 1 54 54 LYS HB2 H 1 1.750 0.02 . 2 . . . A 54 LYS HB2 . 19312 1 583 . 1 1 54 54 LYS HB3 H 1 1.823 0.02 . 2 . . . A 54 LYS HB3 . 19312 1 584 . 1 1 54 54 LYS HG2 H 1 1.418 0.02 . 2 . . . A 54 LYS HG2 . 19312 1 585 . 1 1 54 54 LYS HG3 H 1 1.448 0.02 . 2 . . . A 54 LYS HG3 . 19312 1 586 . 1 1 54 54 LYS HD2 H 1 1.680 0.02 . 1 . . . A 54 LYS HD2 . 19312 1 587 . 1 1 54 54 LYS HD3 H 1 1.680 0.02 . 1 . . . A 54 LYS HD3 . 19312 1 588 . 1 1 54 54 LYS HE2 H 1 2.997 0.02 . 1 . . . A 54 LYS HE2 . 19312 1 589 . 1 1 54 54 LYS HE3 H 1 2.997 0.02 . 1 . . . A 54 LYS HE3 . 19312 1 590 . 1 1 54 54 LYS C C 13 176.467 0.4 . 1 . . . A 54 LYS C . 19312 1 591 . 1 1 54 54 LYS CA C 13 56.354 0.4 . 1 . . . A 54 LYS CA . 19312 1 592 . 1 1 54 54 LYS CB C 13 32.904 0.4 . 1 . . . A 54 LYS CB . 19312 1 593 . 1 1 54 54 LYS CG C 13 24.580 0.4 . 1 . . . A 54 LYS CG . 19312 1 594 . 1 1 54 54 LYS CD C 13 29.082 0.4 . 1 . . . A 54 LYS CD . 19312 1 595 . 1 1 54 54 LYS CE C 13 42.025 0.4 . 1 . . . A 54 LYS CE . 19312 1 596 . 1 1 54 54 LYS N N 15 123.180 0.4 . 1 . . . A 54 LYS N . 19312 1 597 . 1 1 55 55 GLU H H 1 8.509 0.02 . 1 . . . A 55 GLU H . 19312 1 598 . 1 1 55 55 GLU HA H 1 4.302 0.02 . 1 . . . A 55 GLU HA . 19312 1 599 . 1 1 55 55 GLU HB2 H 1 1.947 0.02 . 2 . . . A 55 GLU HB2 . 19312 1 600 . 1 1 55 55 GLU HB3 H 1 2.056 0.02 . 2 . . . A 55 GLU HB3 . 19312 1 601 . 1 1 55 55 GLU HG2 H 1 2.273 0.02 . 1 . . . A 55 GLU HG2 . 19312 1 602 . 1 1 55 55 GLU HG3 H 1 2.273 0.02 . 1 . . . A 55 GLU HG3 . 19312 1 603 . 1 1 55 55 GLU C C 13 176.868 0.4 . 1 . . . A 55 GLU C . 19312 1 604 . 1 1 55 55 GLU CA C 13 56.580 0.4 . 1 . . . A 55 GLU CA . 19312 1 605 . 1 1 55 55 GLU CB C 13 30.242 0.4 . 1 . . . A 55 GLU CB . 19312 1 606 . 1 1 55 55 GLU CG C 13 36.099 0.4 . 1 . . . A 55 GLU CG . 19312 1 607 . 1 1 55 55 GLU N N 15 121.942 0.4 . 1 . . . A 55 GLU N . 19312 1 608 . 1 1 56 56 GLY H H 1 8.409 0.02 . 1 . . . A 56 GLY H . 19312 1 609 . 1 1 56 56 GLY HA2 H 1 3.971 0.02 . 1 . . . A 56 GLY HA2 . 19312 1 610 . 1 1 56 56 GLY HA3 H 1 3.971 0.02 . 1 . . . A 56 GLY HA3 . 19312 1 611 . 1 1 56 56 GLY C C 13 174.144 0.4 . 1 . . . A 56 GLY C . 19312 1 612 . 1 1 56 56 GLY CA C 13 45.117 0.4 . 1 . . . A 56 GLY CA . 19312 1 613 . 1 1 56 56 GLY N N 15 109.694 0.4 . 1 . . . A 56 GLY N . 19312 1 614 . 1 1 57 57 ILE H H 1 8.025 0.02 . 1 . . . A 57 ILE H . 19312 1 615 . 1 1 57 57 ILE HA H 1 4.151 0.02 . 1 . . . A 57 ILE HA . 19312 1 616 . 1 1 57 57 ILE HB H 1 1.863 0.02 . 1 . . . A 57 ILE HB . 19312 1 617 . 1 1 57 57 ILE HG12 H 1 1.184 0.02 . 2 . . . A 57 ILE HG12 . 19312 1 618 . 1 1 57 57 ILE HG13 H 1 1.454 0.02 . 2 . . . A 57 ILE HG13 . 19312 1 619 . 1 1 57 57 ILE HG21 H 1 0.900 0.02 . 1 . . . A 57 ILE HG21 . 19312 1 620 . 1 1 57 57 ILE HG22 H 1 0.900 0.02 . 1 . . . A 57 ILE HG22 . 19312 1 621 . 1 1 57 57 ILE HG23 H 1 0.900 0.02 . 1 . . . A 57 ILE HG23 . 19312 1 622 . 1 1 57 57 ILE HD11 H 1 0.860 0.02 . 1 . . . A 57 ILE HD11 . 19312 1 623 . 1 1 57 57 ILE HD12 H 1 0.860 0.02 . 1 . . . A 57 ILE HD12 . 19312 1 624 . 1 1 57 57 ILE HD13 H 1 0.860 0.02 . 1 . . . A 57 ILE HD13 . 19312 1 625 . 1 1 57 57 ILE C C 13 176.529 0.4 . 1 . . . A 57 ILE C . 19312 1 626 . 1 1 57 57 ILE CA C 13 61.303 0.4 . 1 . . . A 57 ILE CA . 19312 1 627 . 1 1 57 57 ILE CB C 13 38.606 0.4 . 1 . . . A 57 ILE CB . 19312 1 628 . 1 1 57 57 ILE CG1 C 13 27.256 0.4 . 1 . . . A 57 ILE CG1 . 19312 1 629 . 1 1 57 57 ILE CG2 C 13 17.415 0.4 . 1 . . . A 57 ILE CG2 . 19312 1 630 . 1 1 57 57 ILE CD1 C 13 12.873 0.4 . 1 . . . A 57 ILE CD1 . 19312 1 631 . 1 1 57 57 ILE N N 15 119.901 0.4 . 1 . . . A 57 ILE N . 19312 1 632 . 1 1 58 58 GLN H H 1 8.550 0.02 . 1 . . . A 58 GLN H . 19312 1 633 . 1 1 58 58 GLN HA H 1 4.411 0.02 . 1 . . . A 58 GLN HA . 19312 1 634 . 1 1 58 58 GLN HB2 H 1 2.006 0.02 . 2 . . . A 58 GLN HB2 . 19312 1 635 . 1 1 58 58 GLN HB3 H 1 2.122 0.02 . 2 . . . A 58 GLN HB3 . 19312 1 636 . 1 1 58 58 GLN HG2 H 1 2.382 0.02 . 1 . . . A 58 GLN HG2 . 19312 1 637 . 1 1 58 58 GLN HG3 H 1 2.382 0.02 . 1 . . . A 58 GLN HG3 . 19312 1 638 . 1 1 58 58 GLN HE21 H 1 6.870 0.02 . 2 . . . A 58 GLN HE21 . 19312 1 639 . 1 1 58 58 GLN HE22 H 1 7.517 0.02 . 2 . . . A 58 GLN HE22 . 19312 1 640 . 1 1 58 58 GLN C C 13 176.143 0.4 . 1 . . . A 58 GLN C . 19312 1 641 . 1 1 58 58 GLN CA C 13 55.731 0.4 . 1 . . . A 58 GLN CA . 19312 1 642 . 1 1 58 58 GLN CB C 13 29.258 0.4 . 1 . . . A 58 GLN CB . 19312 1 643 . 1 1 58 58 GLN CG C 13 33.696 0.4 . 1 . . . A 58 GLN CG . 19312 1 644 . 1 1 58 58 GLN N N 15 124.003 0.4 . 1 . . . A 58 GLN N . 19312 1 645 . 1 1 58 58 GLN NE2 N 15 112.406 0.4 . 1 . . . A 58 GLN NE2 . 19312 1 646 . 1 1 59 59 THR H H 1 8.171 0.02 . 1 . . . A 59 THR H . 19312 1 647 . 1 1 59 59 THR HA H 1 4.296 0.02 . 1 . . . A 59 THR HA . 19312 1 648 . 1 1 59 59 THR HB H 1 4.197 0.02 . 1 . . . A 59 THR HB . 19312 1 649 . 1 1 59 59 THR HG21 H 1 1.196 0.02 . 1 . . . A 59 THR HG21 . 19312 1 650 . 1 1 59 59 THR HG22 H 1 1.196 0.02 . 1 . . . A 59 THR HG22 . 19312 1 651 . 1 1 59 59 THR HG23 H 1 1.196 0.02 . 1 . . . A 59 THR HG23 . 19312 1 652 . 1 1 59 59 THR C C 13 174.411 0.4 . 1 . . . A 59 THR C . 19312 1 653 . 1 1 59 59 THR CA C 13 61.953 0.4 . 1 . . . A 59 THR CA . 19312 1 654 . 1 1 59 59 THR CB C 13 69.586 0.4 . 1 . . . A 59 THR CB . 19312 1 655 . 1 1 59 59 THR CG2 C 13 21.626 0.4 . 1 . . . A 59 THR CG2 . 19312 1 656 . 1 1 59 59 THR N N 15 115.836 0.4 . 1 . . . A 59 THR N . 19312 1 657 . 1 1 60 60 ARG H H 1 8.301 0.02 . 1 . . . A 60 ARG H . 19312 1 658 . 1 1 60 60 ARG HA H 1 4.350 0.02 . 1 . . . A 60 ARG HA . 19312 1 659 . 1 1 60 60 ARG HB2 H 1 1.762 0.02 . 2 . . . A 60 ARG HB2 . 19312 1 660 . 1 1 60 60 ARG HB3 H 1 1.859 0.02 . 2 . . . A 60 ARG HB3 . 19312 1 661 . 1 1 60 60 ARG HG2 H 1 1.644 0.02 . 2 . . . A 60 ARG HG2 . 19312 1 662 . 1 1 60 60 ARG HG3 H 1 1.585 0.02 . 2 . . . A 60 ARG HG3 . 19312 1 663 . 1 1 60 60 ARG HD2 H 1 3.192 0.02 . 1 . . . A 60 ARG HD2 . 19312 1 664 . 1 1 60 60 ARG HD3 H 1 3.192 0.02 . 1 . . . A 60 ARG HD3 . 19312 1 665 . 1 1 60 60 ARG C C 13 176.071 0.4 . 1 . . . A 60 ARG C . 19312 1 666 . 1 1 60 60 ARG CA C 13 55.927 0.4 . 1 . . . A 60 ARG CA . 19312 1 667 . 1 1 60 60 ARG CB C 13 30.731 0.4 . 1 . . . A 60 ARG CB . 19312 1 668 . 1 1 60 60 ARG CG C 13 26.988 0.4 . 1 . . . A 60 ARG CG . 19312 1 669 . 1 1 60 60 ARG CD C 13 43.274 0.4 . 1 . . . A 60 ARG CD . 19312 1 670 . 1 1 60 60 ARG N N 15 123.534 0.4 . 1 . . . A 60 ARG N . 19312 1 671 . 1 1 61 61 LYS H H 1 8.146 0.02 . 1 . . . A 61 LYS H . 19312 1 672 . 1 1 61 61 LYS HA H 1 4.298 0.02 . 1 . . . A 61 LYS HA . 19312 1 673 . 1 1 61 61 LYS HB2 H 1 1.750 0.02 . 2 . . . A 61 LYS HB2 . 19312 1 674 . 1 1 61 61 LYS HB3 H 1 1.823 0.02 . 2 . . . A 61 LYS HB3 . 19312 1 675 . 1 1 61 61 LYS C C 13 176.325 0.4 . 1 . . . A 61 LYS C . 19312 1 676 . 1 1 61 61 LYS CA C 13 56.296 0.4 . 1 . . . A 61 LYS CA . 19312 1 677 . 1 1 61 61 LYS CB C 13 32.917 0.4 . 1 . . . A 61 LYS CB . 19312 1 678 . 1 1 61 61 LYS CE C 13 42.100 0.4 . 1 . . . A 61 LYS CE . 19312 1 679 . 1 1 61 61 LYS N N 15 121.266 0.4 . 1 . . . A 61 LYS N . 19312 1 680 . 1 1 62 62 ARG H H 1 8.391 0.02 . 1 . . . A 62 ARG H . 19312 1 681 . 1 1 62 62 ARG HA H 1 4.328 0.02 . 1 . . . A 62 ARG HA . 19312 1 682 . 1 1 62 62 ARG HB2 H 1 1.761 0.02 . 2 . . . A 62 ARG HB2 . 19312 1 683 . 1 1 62 62 ARG HB3 H 1 1.879 0.02 . 2 . . . A 62 ARG HB3 . 19312 1 684 . 1 1 62 62 ARG HG2 H 1 1.584 0.02 . 2 . . . A 62 ARG HG2 . 19312 1 685 . 1 1 62 62 ARG HG3 H 1 1.643 0.02 . 2 . . . A 62 ARG HG3 . 19312 1 686 . 1 1 62 62 ARG HD2 H 1 3.190 0.02 . 1 . . . A 62 ARG HD2 . 19312 1 687 . 1 1 62 62 ARG HD3 H 1 3.190 0.02 . 1 . . . A 62 ARG HD3 . 19312 1 688 . 1 1 62 62 ARG C C 13 175.275 0.4 . 1 . . . A 62 ARG C . 19312 1 689 . 1 1 62 62 ARG CA C 13 56.082 0.4 . 1 . . . A 62 ARG CA . 19312 1 690 . 1 1 62 62 ARG CB C 13 30.929 0.4 . 1 . . . A 62 ARG CB . 19312 1 691 . 1 1 62 62 ARG CG C 13 26.977 0.4 . 1 . . . A 62 ARG CG . 19312 1 692 . 1 1 62 62 ARG CD C 13 43.284 0.4 . 1 . . . A 62 ARG CD . 19312 1 693 . 1 1 62 62 ARG N N 15 123.156 0.4 . 1 . . . A 62 ARG N . 19312 1 694 . 1 1 63 63 LYS H H 1 7.980 0.02 . 1 . . . A 63 LYS H . 19312 1 695 . 1 1 63 63 LYS HA H 1 4.119 0.02 . 1 . . . A 63 LYS HA . 19312 1 696 . 1 1 63 63 LYS HB2 H 1 1.712 0.02 . 2 . . . A 63 LYS HB2 . 19312 1 697 . 1 1 63 63 LYS HB3 H 1 1.794 0.02 . 2 . . . A 63 LYS HB3 . 19312 1 698 . 1 1 63 63 LYS HG2 H 1 1.402 0.02 . 1 . . . A 63 LYS HG2 . 19312 1 699 . 1 1 63 63 LYS HG3 H 1 1.402 0.02 . 1 . . . A 63 LYS HG3 . 19312 1 700 . 1 1 63 63 LYS HD2 H 1 1.682 0.02 . 1 . . . A 63 LYS HD2 . 19312 1 701 . 1 1 63 63 LYS HD3 H 1 1.682 0.02 . 1 . . . A 63 LYS HD3 . 19312 1 702 . 1 1 63 63 LYS HE2 H 1 2.996 0.02 . 1 . . . A 63 LYS HE2 . 19312 1 703 . 1 1 63 63 LYS HE3 H 1 2.996 0.02 . 1 . . . A 63 LYS HE3 . 19312 1 704 . 1 1 63 63 LYS C C 13 181.193 0.4 . 1 . . . A 63 LYS C . 19312 1 705 . 1 1 63 63 LYS CA C 13 57.713 0.4 . 1 . . . A 63 LYS CA . 19312 1 706 . 1 1 63 63 LYS CB C 13 33.490 0.4 . 1 . . . A 63 LYS CB . 19312 1 707 . 1 1 63 63 LYS CG C 13 24.635 0.4 . 1 . . . A 63 LYS CG . 19312 1 708 . 1 1 63 63 LYS CD C 13 29.026 0.4 . 1 . . . A 63 LYS CD . 19312 1 709 . 1 1 63 63 LYS CE C 13 42.005 0.4 . 1 . . . A 63 LYS CE . 19312 1 710 . 1 1 63 63 LYS N N 15 127.741 0.4 . 1 . . . A 63 LYS N . 19312 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_n.peaks _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode n.peaks _Spectral_peak_list.Entry_ID 19312 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $hr4783b.009 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 7 _Spectral_peak_list.Experiment_name '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 #INAME 1 H1 #INAME 2 H1 #INAME 3 N15 #CYANAFORMAT HhN 1 8.250 8.242 122.407 0 U 9.152e+04 0.00e+00 - 0 0 0 0 0 2 8.282 4.297 122.593 0 U 1.169e+04 0.00e+00 - 0 0 0 0 0 3 8.282 1.601 122.607 0 U 4.607e+03 0.00e+00 - 0 614 619 613 0 4 7.795 4.024 120.563 0 U 4.654e+03 0.00e+00 - 0 499 501 498 0 5 7.791 3.888 122.200 0 U 4.257e+03 0.00e+00 - 0 128 125 127 0 6 7.790 0.923 122.166 0 U 1.674e+03 0.00e+00 - 0 128 847 127 0 7 7.791 0.740 122.188 0 U 2.037e+03 0.00e+00 - 0 128 133 127 0 8 7.792 0.263 122.135 0 U 1.283e+03 0.00e+00 - 0 0 0 0 0 9 7.373 4.999 113.544 0 U 1.056e+03 0.00e+00 - 0 142 144 141 0 10 7.365 4.525 112.977 0 U 2.398e+03 0.00e+00 - 0 554 488 553 0 11 7.368 4.012 113.580 0 U 7.753e+03 0.00e+00 - 0 142 130 141 0 12 7.367 0.903 112.991 0 U 5.902e+03 0.00e+00 - 0 554 1006 553 0 13 7.370 0.268 113.571 0 U 1.483e+03 0.00e+00 - 0 0 0 0 0 14 8.847 7.064 123.016 0 U 1.946e+03 0.00e+00 - 0 151 993 150 0 15 8.851 6.317 123.002 0 U 8.020e+02 0.00e+00 - 0 151 997 150 0 16 8.847 5.000 123.033 0 U 7.555e+03 0.00e+00 - 0 151 144 150 0 17 8.845 4.426 122.981 0 U 1.804e+03 0.00e+00 - 0 151 153 150 0 18 8.845 4.277 123.043 0 U 1.166e+03 0.00e+00 - 0 151 190 150 0 19 8.846 3.472 123.034 0 U 6.179e+03 0.00e+00 - 0 0 0 0 0 20 8.847 3.015 123.039 0 U 3.450e+03 0.00e+00 - 0 151 155 150 0 21 8.846 1.179 123.127 0 U 1.671e+03 0.00e+00 - 0 151 851 150 0 22 9.560 9.074 133.407 0 U 1.479e+03 0.00e+00 - 0 160 167 159 0 23 9.559 5.732 133.570 0 U 2.114e+03 0.00e+00 - 0 160 401 159 0 24 9.563 4.429 133.509 0 U 6.452e+03 0.00e+00 - 0 160 153 159 0 25 9.561 4.156 133.458 0 U 1.644e+03 0.00e+00 - 0 160 162 159 0 26 9.562 1.434 133.515 0 U 5.231e+03 0.00e+00 - 0 160 164 159 0 27 9.561 1.152 133.593 0 U 1.995e+03 0.00e+00 - 0 160 894 159 0 28 8.712 7.595 118.511 0 U 1.559e+04 0.00e+00 - 0 981 970 982 0 29 8.712 3.508 118.419 0 U 3.191e+03 0.00e+00 - 0 981 172 982 0 30 8.712 2.689 118.429 0 U 1.049e+03 0.00e+00 - 0 981 171 982 0 31 8.714 1.688 118.434 0 U 1.569e+03 0.00e+00 - 0 0 0 0 0 32 9.081 9.553 116.511 0 U 2.849e+03 0.00e+00 - 0 167 160 166 0 33 9.081 8.746 116.504 0 U 5.713e+03 0.00e+00 - 0 167 179 166 0 34 9.080 4.971 116.496 0 U 3.625e+03 0.00e+00 - 0 167 169 166 0 35 9.086 4.161 116.409 0 U 1.169e+03 0.00e+00 - 0 167 162 166 0 36 9.083 3.508 116.529 0 U 4.017e+03 0.00e+00 - 0 0 0 0 0 37 9.082 2.689 116.498 0 U 3.287e+03 0.00e+00 - 0 167 171 166 0 38 9.082 1.437 116.496 0 U 2.466e+03 0.00e+00 - 0 167 164 166 0 39 9.082 1.150 116.510 0 U 2.728e+03 0.00e+00 - 0 167 894 166 0 40 7.603 8.707 118.514 0 U 2.147e+04 0.00e+00 - 0 970 981 982 0 41 7.604 3.510 118.470 0 U 1.847e+03 0.00e+00 - 0 970 172 982 0 42 7.603 1.680 118.481 0 U 2.969e+03 0.00e+00 - 0 0 0 0 0 43 7.606 0.715 118.240 0 U 8.271e+02 0.00e+00 - 0 970 940 982 0 44 8.753 9.075 118.108 0 U 5.319e+03 0.00e+00 - 0 179 167 178 0 45 8.754 8.147 118.105 0 U 5.464e+03 0.00e+00 - 0 179 188 178 0 46 8.755 4.915 118.105 0 U 2.318e+03 0.00e+00 - 0 179 181 178 0 47 8.753 4.285 118.022 0 U 8.602e+02 0.00e+00 - 0 179 190 178 0 48 8.753 3.500 118.096 0 U 4.840e+03 0.00e+00 - 0 0 0 0 0 49 8.750 3.287 118.111 0 U 1.517e+03 0.00e+00 - 0 179 183 178 0 50 8.748 2.696 118.064 0 U 1.248e+03 0.00e+00 - 0 179 171 178 0 51 8.754 2.429 118.066 0 U 2.017e+03 0.00e+00 - 0 179 184 178 0 52 7.240 6.501 112.219 0 U 3.998e+04 0.00e+00 - 0 977 979 978 0 53 7.240 2.255 112.169 0 U 1.946e+03 0.00e+00 - 0 977 849 978 0 54 8.152 9.075 115.980 0 U 1.057e+03 0.00e+00 - 0 188 167 187 0 55 8.153 8.748 115.967 0 U 6.380e+03 0.00e+00 - 0 188 179 187 0 56 8.155 8.567 115.968 0 U 2.279e+03 0.00e+00 - 0 0 0 0 0 57 8.152 4.913 115.936 0 U 1.396e+03 0.00e+00 - 0 188 181 187 0 58 8.153 4.276 115.971 0 U 1.306e+04 0.00e+00 - 0 0 0 0 0 59 8.153 3.478 115.928 0 U 4.443e+03 0.00e+00 - 0 188 156 187 0 60 8.158 3.013 116.011 0 U 1.354e+03 0.00e+00 - 0 188 155 187 0 61 8.154 2.371 115.949 0 U 1.757e+03 0.00e+00 - 0 0 0 0 0 62 8.154 2.259 115.940 0 U 2.731e+03 0.00e+00 - 0 188 849 187 0 63 6.508 7.233 112.220 0 U 4.204e+04 0.00e+00 - 0 979 977 978 0 64 8.571 8.150 116.752 0 U 1.923e+03 0.00e+00 - 0 203 188 202 0 65 8.570 4.591 116.736 0 U 5.785e+03 0.00e+00 - 0 0 0 0 0 66 8.573 4.270 116.782 0 U 1.067e+03 0.00e+00 - 0 203 190 202 0 67 8.572 3.476 116.724 0 U 3.579e+03 0.00e+00 - 0 203 156 202 0 68 8.573 3.016 116.661 0 U 1.977e+03 0.00e+00 - 0 203 155 202 0 69 8.571 1.174 116.716 0 U 4.665e+03 0.00e+00 - 0 203 851 202 0 70 8.208 5.099 112.642 0 U 1.209e+03 0.00e+00 - 0 213 215 212 0 71 8.210 4.570 112.611 0 U 5.857e+03 0.00e+00 - 0 0 0 0 0 72 8.210 1.337 112.609 0 U 2.205e+03 0.00e+00 - 0 213 852 212 0 73 8.212 1.173 112.674 0 U 1.063e+03 0.00e+00 - 0 213 851 212 0 74 8.286 5.095 117.926 0 U 1.240e+03 0.00e+00 - 0 223 215 222 0 75 8.289 4.580 117.948 0 U 1.087e+03 0.00e+00 - 0 223 205 222 0 76 8.290 4.000 117.961 0 U 1.878e+03 0.00e+00 - 0 223 227 222 0 77 8.286 1.164 117.972 0 U 4.142e+03 0.00e+00 - 0 0 0 0 0 78 7.936 1.149 117.380 0 U 8.321e+02 0.00e+00 - 0 0 0 0 0 79 7.932 -0.781 117.195 0 U 6.995e+02 0.00e+00 - 0 233 859 232 0 80 8.409 7.175 124.576 0 U 1.575e+03 0.00e+00 - 0 267 987 266 0 81 8.413 4.638 124.642 0 U 1.895e+03 0.00e+00 - 0 267 269 266 0 82 8.409 4.327 124.631 0 U 9.947e+03 0.00e+00 - 0 267 255 266 0 83 8.409 3.014 124.672 0 U 4.627e+03 0.00e+00 - 0 267 271 266 0 84 8.411 1.437 124.654 0 U 1.270e+03 0.00e+00 - 0 267 257 266 0 85 8.408 1.333 124.704 0 U 1.499e+03 0.00e+00 - 0 267 867 266 0 86 8.410 0.919 124.595 0 U 2.176e+03 0.00e+00 - 0 267 865 266 0 87 9.993 7.171 128.059 0 U 8.012e+03 0.00e+00 - 0 989 987 990 0 88 9.994 7.047 128.052 0 U 3.927e+03 0.00e+00 - 0 989 991 990 0 89 9.997 -0.760 128.119 0 U 9.080e+02 0.00e+00 - 0 989 859 990 0 90 9.144 4.635 124.298 0 U 3.585e+03 0.00e+00 - 0 0 0 0 0 91 9.147 1.432 124.317 0 U 8.653e+02 0.00e+00 - 0 291 296 290 0 92 8.325 5.373 119.077 0 U 1.666e+03 0.00e+00 - 0 314 316 313 0 93 8.331 2.026 119.099 0 U 4.426e+03 0.00e+00 - 0 314 295 313 0 94 8.330 1.685 119.069 0 U 2.949e+03 0.00e+00 - 0 0 0 0 0 95 8.331 1.413 119.014 0 U 1.986e+03 0.00e+00 - 0 314 296 313 0 96 8.329 0.743 119.096 0 U 7.939e+02 0.00e+00 - 0 314 893 313 0 97 7.768 7.490 111.770 0 U 2.410e+04 0.00e+00 - 0 1049 971 972 0 98 7.770 3.607 111.679 0 U 1.040e+03 0.00e+00 - 0 1049 341 972 0 99 7.771 2.868 111.740 0 U 1.382e+03 0.00e+00 - 0 1049 342 972 0 100 7.767 2.249 111.688 0 U 1.266e+03 0.00e+00 - 0 1049 884 972 0 101 7.766 2.042 111.753 0 U 2.276e+03 0.00e+00 - 0 0 0 0 0 102 7.769 1.893 111.685 0 U 3.982e+03 0.00e+00 - 0 1049 881 972 0 103 7.769 1.434 111.758 0 U 1.726e+03 0.00e+00 - 0 0 0 0 0 104 8.852 8.236 121.098 0 U 1.734e+03 0.00e+00 - 0 337 374 336 0 105 8.853 5.370 121.098 0 U 8.386e+03 0.00e+00 - 0 337 316 336 0 106 8.855 4.995 121.028 0 U 9.289e+02 0.00e+00 - 0 337 388 336 0 107 8.852 3.603 121.155 0 U 1.481e+03 0.00e+00 - 0 337 341 336 0 108 8.851 2.861 121.114 0 U 2.303e+03 0.00e+00 - 0 337 342 336 0 109 8.853 1.614 121.024 0 U 2.820e+03 0.00e+00 - 0 337 318 336 0 110 8.851 1.150 121.049 0 U 7.488e+02 0.00e+00 - 0 337 894 336 0 111 8.853 0.743 121.120 0 U 1.348e+03 0.00e+00 - 0 337 893 336 0 112 7.498 7.762 111.779 0 U 2.642e+04 0.00e+00 - 0 971 1049 972 0 113 7.517 6.864 112.411 0 U 8.836e+03 0.00e+00 - 0 1064 980 1063 0 114 7.498 3.614 111.744 0 U 2.612e+03 0.00e+00 - 0 971 341 972 0 115 7.498 2.858 111.722 0 U 3.383e+03 0.00e+00 - 0 971 342 972 0 116 7.500 2.060 111.784 0 U 1.142e+03 0.00e+00 - 0 0 0 0 0 117 7.500 1.890 111.811 0 U 1.804e+03 0.00e+00 - 0 971 881 972 0 118 7.501 1.439 111.683 0 U 1.603e+03 0.00e+00 - 0 0 0 0 0 119 7.499 1.150 111.730 0 U 1.747e+03 0.00e+00 - 0 971 894 972 0 120 7.670 8.184 115.497 0 U 7.874e+03 0.00e+00 - 0 356 368 355 0 122 7.667 4.310 115.507 0 U 2.435e+03 0.00e+00 - 0 356 358 355 0 123 7.670 4.088 115.450 0 U 1.543e+03 0.00e+00 - 0 356 351 355 0 124 7.673 3.601 115.530 0 U 1.386e+03 0.00e+00 - 0 356 341 355 0 125 7.669 2.207 115.496 0 U 4.014e+03 0.00e+00 - 0 0 0 0 0 126 7.670 2.011 115.490 0 U 7.124e+03 0.00e+00 - 0 356 361 355 0 127 7.671 1.450 115.489 0 U 3.875e+03 0.00e+00 - 0 356 353 355 0 128 8.186 7.663 107.462 0 U 6.613e+03 0.00e+00 - 0 368 356 367 0 129 8.186 4.276 107.423 0 U 5.199e+03 0.00e+00 - 0 0 0 0 0 130 8.187 3.594 107.446 0 U 7.749e+03 0.00e+00 - 0 368 371 367 0 131 8.182 1.621 107.359 0 U 1.034e+03 0.00e+00 - 0 368 318 367 0 132 8.248 8.846 122.395 0 U 1.521e+03 0.00e+00 - 0 374 337 373 0 133 8.250 8.376 122.437 0 U 1.184e+03 0.00e+00 - 0 648 671 647 0 134 8.252 7.668 122.463 0 U 1.190e+03 0.00e+00 - 0 374 356 373 0 135 8.251 4.616 122.494 0 U 2.764e+03 0.00e+00 - 0 374 1021 373 0 137 8.250 3.597 122.429 0 U 2.012e+03 0.00e+00 - 0 374 371 373 0 138 8.249 2.246 122.405 0 U 4.780e+03 0.00e+00 - 0 0 0 0 0 139 8.249 2.070 122.409 0 U 4.511e+03 0.00e+00 - 0 0 0 0 0 140 8.250 1.888 122.405 0 U 5.535e+03 0.00e+00 - 0 374 881 373 0 141 8.264 1.462 122.418 0 U 9.609e+02 0.00e+00 - 0 0 0 0 0 142 8.512 5.738 114.802 0 U 1.884e+03 0.00e+00 - 0 399 401 398 0 143 8.511 5.366 114.773 0 U 1.475e+03 0.00e+00 - 0 399 316 398 0 144 8.514 5.003 114.810 0 U 1.033e+04 0.00e+00 - 0 399 388 398 0 145 8.515 2.223 114.786 0 U 7.889e+02 0.00e+00 - 0 399 403 398 0 146 8.511 1.813 114.875 0 U 8.553e+02 0.00e+00 - 0 399 390 398 0 147 8.515 1.147 114.860 0 U 9.947e+02 0.00e+00 - 0 399 894 398 0 148 8.514 0.745 114.792 0 U 3.511e+03 0.00e+00 - 0 399 893 398 0 149 9.817 5.733 121.871 0 U 4.381e+03 0.00e+00 - 0 410 401 409 0 150 9.815 4.424 121.839 0 U 8.693e+02 0.00e+00 - 0 410 153 409 0 151 9.816 4.208 121.772 0 U 1.242e+03 0.00e+00 - 0 410 412 409 0 152 9.819 3.003 121.890 0 U 2.003e+03 0.00e+00 - 0 0 0 0 0 153 9.822 2.450 121.934 0 U 1.465e+03 0.00e+00 - 0 410 895 409 0 154 9.818 2.228 121.907 0 U 2.131e+03 0.00e+00 - 0 410 403 409 0 155 9.818 1.180 121.864 0 U 1.177e+03 0.00e+00 - 0 0 0 0 0 156 7.531 6.919 114.250 0 U 5.707e+03 0.00e+00 - 0 974 976 975 0 157 7.533 3.231 114.276 0 U 7.608e+02 0.00e+00 - 0 974 424 975 0 158 7.847 4.218 118.533 0 U 1.654e+03 0.00e+00 - 0 419 412 418 0 159 7.838 3.201 119.819 0 U 1.293e+04 0.00e+00 - 0 467 471 466 0 160 7.851 2.986 118.534 0 U 1.457e+03 0.00e+00 - 0 419 415 418 0 161 7.847 2.693 118.526 0 U 1.033e+03 0.00e+00 - 0 419 423 418 0 162 6.926 7.524 114.246 0 U 6.886e+03 0.00e+00 - 0 976 974 975 0 163 6.924 2.702 114.184 0 U 8.867e+02 0.00e+00 - 0 976 423 975 0 164 6.925 0.836 114.180 0 U 2.381e+03 0.00e+00 - 0 0 0 0 0 165 8.174 9.271 119.171 0 U 2.507e+03 0.00e+00 - 0 0 0 0 0 166 8.175 4.124 119.139 0 U 3.511e+03 0.00e+00 - 0 0 0 0 0 167 8.171 3.210 118.996 0 U 8.602e+02 0.00e+00 - 0 431 424 430 0 168 8.173 2.704 119.221 0 U 2.321e+03 0.00e+00 - 0 431 423 430 0 169 8.174 1.506 119.165 0 U 8.852e+03 0.00e+00 - 0 431 435 430 0 170 9.277 8.165 122.296 0 U 2.156e+03 0.00e+00 - 0 438 431 437 0 171 9.276 4.015 122.275 0 U 1.776e+03 0.00e+00 - 0 438 440 437 0 172 9.275 3.292 122.311 0 U 1.644e+03 0.00e+00 - 0 438 443 437 0 173 9.277 3.139 122.296 0 U 3.783e+03 0.00e+00 - 0 438 896 437 0 174 9.277 1.507 122.314 0 U 4.148e+03 0.00e+00 - 0 438 435 437 0 175 9.311 8.740 109.586 0 U 1.960e+03 0.00e+00 - 0 447 453 446 0 176 9.307 3.915 109.643 0 U 2.196e+03 0.00e+00 - 0 447 449 446 0 177 9.307 3.517 109.676 0 U 4.017e+03 0.00e+00 - 0 447 450 446 0 178 9.306 3.133 109.608 0 U 1.233e+03 0.00e+00 - 0 447 896 446 0 179 9.308 0.749 109.705 0 U 1.286e+03 0.00e+00 - 0 447 893 446 0 180 8.744 9.296 123.523 0 U 2.849e+03 0.00e+00 - 0 0 0 0 0 181 8.745 7.830 123.531 0 U 4.006e+03 0.00e+00 - 0 0 0 0 0 182 8.759 4.606 123.193 0 U 7.488e+03 0.00e+00 - 0 27 567 26 0 183 8.744 4.058 123.534 0 U 4.034e+03 0.00e+00 - 0 0 0 0 0 184 8.743 3.907 123.561 0 U 8.484e+02 0.00e+00 - 0 453 449 452 0 185 8.741 3.514 123.462 0 U 1.935e+03 0.00e+00 - 0 453 450 452 0 186 8.759 3.125 123.310 0 U 2.257e+03 0.00e+00 - 0 27 1010 26 0 187 8.746 1.752 123.497 0 U 5.241e+03 0.00e+00 - 0 0 0 0 0 188 8.752 1.692 123.372 0 U 4.318e+03 0.00e+00 - 0 0 0 0 0 189 8.744 1.508 123.544 0 U 2.937e+03 0.00e+00 - 0 453 458 452 0 190 8.759 1.140 123.235 0 U 2.849e+03 0.00e+00 - 0 27 1009 26 0 191 8.743 0.823 123.574 0 U 1.623e+03 0.00e+00 - 0 0 0 0 0 192 7.837 8.736 119.825 0 U 5.247e+03 0.00e+00 - 0 467 453 466 0 193 7.838 4.064 119.845 0 U 5.443e+03 0.00e+00 - 0 0 0 0 0 194 7.838 1.766 119.849 0 U 2.877e+03 0.00e+00 - 0 467 457 466 0 195 7.838 1.515 119.795 0 U 2.201e+03 0.00e+00 - 0 467 458 466 0 196 7.848 4.526 117.093 0 U 2.760e+03 0.00e+00 - 0 486 488 485 0 197 7.848 4.058 117.071 0 U 1.485e+03 0.00e+00 - 0 0 0 0 0 198 7.849 3.200 117.118 0 U 5.021e+03 0.00e+00 - 0 486 471 485 0 199 7.849 2.222 117.114 0 U 8.363e+03 0.00e+00 - 0 0 0 0 0 200 7.800 4.522 120.349 0 U 1.152e+03 0.00e+00 - 0 499 488 498 0 201 7.795 2.227 120.546 0 U 2.415e+03 0.00e+00 - 0 0 0 0 0 202 7.796 1.934 120.580 0 U 8.579e+03 0.00e+00 - 0 0 0 0 0 203 7.780 8.360 117.541 0 U 3.423e+03 0.00e+00 - 0 518 532 517 0 204 7.781 4.029 117.576 0 U 6.267e+03 0.00e+00 - 0 0 0 0 0 205 7.780 1.943 117.570 0 U 4.915e+03 0.00e+00 - 0 0 0 0 0 206 7.780 1.290 117.554 0 U 6.948e+03 0.00e+00 - 0 518 916 517 0 207 7.780 1.166 117.568 0 U 3.336e+03 0.00e+00 - 0 518 920 517 0 208 7.780 0.890 117.601 0 U 4.187e+03 0.00e+00 - 0 518 917 517 0 209 7.782 0.689 117.475 0 U 1.017e+03 0.00e+00 - 0 0 0 0 0 210 8.368 8.515 113.864 0 U 3.017e+03 0.00e+00 - 0 532 548 531 0 211 8.367 7.775 113.809 0 U 4.579e+03 0.00e+00 - 0 532 518 531 0 212 8.359 7.336 113.779 0 U 9.307e+02 0.00e+00 - 0 0 0 0 0 213 8.361 5.511 113.682 0 U 8.542e+02 0.00e+00 - 0 532 998 531 0 214 8.368 4.650 113.769 0 U 1.817e+03 0.00e+00 - 0 532 534 531 0 215 8.368 4.524 113.734 0 U 9.932e+02 0.00e+00 - 0 532 488 531 0 216 8.367 4.029 113.767 0 U 1.615e+03 0.00e+00 - 0 0 0 0 0 217 8.367 3.061 113.829 0 U 1.921e+03 0.00e+00 - 0 532 922 531 0 218 8.367 2.687 113.814 0 U 3.841e+03 0.00e+00 - 0 532 921 531 0 219 8.366 1.290 113.846 0 U 2.003e+03 0.00e+00 - 0 532 916 531 0 220 8.367 0.895 113.822 0 U 2.105e+03 0.00e+00 - 0 532 917 531 0 221 8.531 8.362 108.621 0 U 2.563e+03 0.00e+00 - 0 548 532 547 0 222 8.536 7.364 108.616 0 U 1.938e+03 0.00e+00 - 0 548 554 547 0 223 8.535 4.528 108.567 0 U 1.291e+03 0.00e+00 - 0 548 488 547 0 224 8.530 4.141 108.491 0 U 2.555e+03 0.00e+00 - 0 548 551 547 0 225 8.534 3.927 108.574 0 U 3.479e+03 0.00e+00 - 0 548 550 547 0 226 7.364 8.533 112.961 0 U 1.601e+03 0.00e+00 - 0 554 548 553 0 227 7.364 2.686 112.998 0 U 9.463e+02 0.00e+00 - 0 554 921 553 0 228 7.365 1.023 112.998 0 U 1.530e+03 0.00e+00 - 0 554 1007 553 0 229 8.762 7.599 123.136 0 U 1.019e+03 0.00e+00 - 0 27 970 26 0 230 8.758 7.327 123.215 0 U 1.215e+03 0.00e+00 - 0 27 983 26 0 231 8.759 2.181 123.236 0 U 1.304e+03 0.00e+00 - 0 27 929 26 0 232 8.282 1.777 122.581 0 U 1.571e+03 0.00e+00 - 0 614 606 613 0 233 8.280 0.718 122.672 0 U 9.191e+02 0.00e+00 - 0 614 940 613 0 234 8.509 4.289 122.053 0 U 8.723e+02 0.00e+00 - 0 0 0 0 0 235 8.026 3.956 119.933 0 U 9.208e+02 0.00e+00 - 0 708 704 707 0 236 8.024 1.874 119.873 0 U 6.552e+02 0.00e+00 - 0 708 712 707 0 237 6.870 7.510 112.406 0 U 8.295e+03 0.00e+00 - 0 980 1064 1063 0 238 8.146 4.349 121.227 0 U 1.784e+03 0.00e+00 - 0 770 749 769 0 239 8.146 4.134 121.293 0 U 1.169e+03 0.00e+00 - 0 0 0 0 0 240 7.981 4.322 127.701 0 U 3.138e+03 0.00e+00 - 0 812 791 811 0 241 7.982 4.115 127.769 0 U 2.449e+03 0.00e+00 - 0 812 1029 811 0 242 7.791 0.119 122.163 0 U 5.497e+02 0.00e+00 - 0 128 846 127 0 243 9.082 5.728 116.510 0 U 7.256e+02 0.00e+00 - 0 167 401 166 0 244 9.082 8.150 116.510 0 U 6.914e+02 0.00e+00 - 0 167 188 166 0 245 9.082 2.235 116.510 0 U 5.843e+02 0.00e+00 - 0 0 0 0 0 246 8.712 1.152 118.366 0 U 8.462e+02 0.00e+00 - 0 981 1009 982 0 247 7.603 1.152 118.438 0 U 4.890e+02 0.00e+00 - 0 970 1009 982 0 248 7.603 2.694 118.376 0 U 7.216e+02 0.00e+00 - 0 970 171 982 0 249 7.791 4.019 122.163 0 U 1.272e+03 0.00e+00 - 0 128 130 127 0 250 7.370 3.495 113.571 0 U 8.412e+02 0.00e+00 - 0 0 0 0 0 251 7.364 3.063 112.998 0 U 6.156e+02 0.00e+00 - 0 554 922 553 0 252 8.847 8.148 123.033 0 U 5.912e+02 0.00e+00 - 0 151 188 150 0 253 8.847 8.575 123.033 0 U 6.211e+02 0.00e+00 - 0 151 203 150 0 254 8.712 3.284 118.438 0 U 7.140e+02 0.00e+00 - 0 0 0 0 0 255 8.154 2.472 115.957 0 U 1.461e+03 0.00e+00 - 0 0 0 0 0 256 6.507 2.254 112.208 0 U 9.094e+02 0.00e+00 - 0 979 849 978 0 257 6.507 4.270 112.208 0 U 5.452e+02 0.00e+00 - 0 979 190 978 0 258 8.570 8.830 116.736 0 U 1.346e+03 0.00e+00 - 0 203 151 202 0 259 8.410 3.135 124.656 0 U 2.140e+03 0.00e+00 - 0 267 272 266 0 260 8.852 3.002 121.087 0 U 5.905e+02 0.00e+00 - 0 337 876 336 0 261 7.765 8.242 111.724 0 U 8.502e+02 0.00e+00 - 0 1049 374 972 0 262 7.769 1.147 111.709 0 U 7.115e+02 0.00e+00 - 0 1049 894 972 0 263 7.499 2.218 111.853 0 U 6.248e+02 0.00e+00 - 0 971 884 972 0 264 7.670 2.321 115.497 0 U 1.618e+03 0.00e+00 - 0 356 879 355 0 266 8.186 2.010 107.426 0 U 6.006e+02 0.00e+00 - 0 368 361 367 0 267 8.186 2.227 107.426 0 U 7.477e+02 0.00e+00 - 0 0 0 0 0 268 8.186 4.092 107.426 0 U 6.642e+02 0.00e+00 - 0 368 351 367 0 269 8.250 7.762 122.429 0 U 1.071e+03 0.00e+00 - 0 374 1049 373 0 270 8.250 7.486 122.429 0 U 6.552e+02 0.00e+00 - 0 374 971 373 0 271 8.513 1.865 114.800 0 U 6.867e+02 0.00e+00 - 0 399 391 398 0 272 8.515 3.017 114.809 0 U 6.351e+02 0.00e+00 - 0 399 876 398 0 273 8.515 9.142 114.809 0 U 7.788e+02 0.00e+00 - 0 399 291 398 0 274 9.818 3.121 121.864 0 U 9.523e+02 0.00e+00 - 0 410 896 409 0 275 9.818 0.760 121.864 0 U 5.132e+02 0.00e+00 - 0 410 893 409 0 276 7.848 8.151 118.528 0 U 6.693e+02 0.00e+00 - 0 419 431 418 0 277 7.848 3.214 118.528 0 U 5.100e+02 0.00e+00 - 0 419 424 418 0 278 7.526 2.702 114.228 0 U 7.688e+02 0.00e+00 - 0 974 423 975 0 279 8.173 7.848 119.132 0 U 8.924e+02 0.00e+00 - 0 431 419 430 0 280 9.307 2.242 109.645 0 U 5.694e+02 0.00e+00 - 0 447 403 446 0 281 7.838 0.841 119.827 0 U 6.512e+02 0.00e+00 - 0 0 0 0 0 282 7.838 7.325 119.827 0 U 1.142e+03 0.00e+00 - 0 467 983 466 0 283 7.848 7.325 117.089 0 U 9.236e+02 0.00e+00 - 0 486 983 485 0 284 7.795 1.514 120.513 0 U 5.890e+02 0.00e+00 - 0 499 908 498 0 285 7.794 1.628 120.398 0 U 5.728e+02 0.00e+00 - 0 499 911 498 0 286 8.534 4.629 108.589 0 U 8.526e+02 0.00e+00 - 0 548 534 547 0 287 7.365 4.128 112.990 0 U 1.323e+03 0.00e+00 - 0 554 551 553 0 288 8.753 3.240 123.228 0 U 1.301e+03 0.00e+00 - 0 0 0 0 0 289 8.273 0.870 122.589 0 U 7.856e+02 0.00e+00 - 0 614 941 613 0 290 8.329 4.659 119.065 0 U 3.098e+03 0.00e+00 - 0 314 293 313 0 291 6.976 4.335 123.435 0 U 6.633e+02 0.00e+00 - 0 253 255 252 0 292 9.996 0.098 127.985 0 U 6.351e+02 0.00e+00 - 0 989 846 990 0 293 8.852 4.854 121.087 0 U 2.442e+03 0.00e+00 - 0 337 339 336 0 294 8.282 2.187 122.599 0 U 1.333e+03 0.00e+00 - 0 614 605 613 0 295 8.250 4.287 122.429 0 U 1.881e+03 0.00e+00 - 0 374 370 373 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 H 1 all . 9000.9 . . . 19312 1 2 H 1 all . 9000.9 . . . 19312 1 3 N 15 amide . 3954.9 . . . 19312 1 stop_ save_ save_cali.peaks _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode cali.peaks _Spectral_peak_list.Entry_ID 19312 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $hr4783b.009 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 7 _Spectral_peak_list.Experiment_name '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' _Spectral_peak_list.Number_of_spectral_dimensions . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 #INAME 1 H1 #INAME 2 H1 #INAME 3 C13 #CYANAFORMAT HhC 1 4.446 2.017 55.519 0 U 7.562e+02 0.00e+00 - 0 0 0 0 0 2 2.435 2.793 32.201 0 U -1.266e+04 0.00e+00 - 0 904 905 903 0 3 1.443 9.555 18.973 0 U -8.464e+03 0.00e+00 - 0 164 160 163 0 4 1.419 4.324 18.989 0 U -7.124e+03 0.00e+00 - 0 1077 1074 1076 0 5 1.444 4.158 18.932 0 U -1.518e+04 0.00e+00 - 0 164 162 163 0 6 4.331 1.409 52.790 0 U 4.909e+03 0.00e+00 - 0 1074 1077 1075 0 7 4.396 3.873 58.426 0 U 4.176e+03 0.00e+00 - 0 58 833 57 0 8 4.335 8.405 55.295 0 U 7.624e+03 0.00e+00 - 0 255 267 254 0 9 4.351 3.177 55.927 0 U 2.372e+03 0.00e+00 - 0 749 1067 748 0 10 4.349 1.765 55.931 0 U 1.109e+04 0.00e+00 - 0 0 0 0 0 11 4.350 1.608 55.927 0 U 6.101e+03 0.00e+00 - 0 0 0 0 0 12 4.335 1.436 55.245 0 U 5.888e+03 0.00e+00 - 0 255 257 254 0 13 4.337 0.913 55.329 0 U 4.623e+03 0.00e+00 - 0 255 865 254 0 14 2.030 8.330 32.761 0 U -1.786e+03 0.00e+00 - 0 295 314 294 0 15 2.032 4.657 32.756 0 U -1.743e+03 0.00e+00 - 0 295 293 294 0 16 2.053 4.416 32.713 0 U -2.246e+03 0.00e+00 - 0 943 637 638 0 17 2.046 4.127 32.890 0 U -9.043e+02 0.00e+00 - 0 115 113 114 0 18 2.031 1.406 32.767 0 U -8.271e+03 0.00e+00 - 0 295 296 294 0 19 2.054 0.911 32.853 0 U -9.464e+03 0.00e+00 - 0 0 0 0 0 20 2.037 0.753 32.839 0 U -1.302e+03 0.00e+00 - 0 295 893 294 0 21 4.153 2.040 61.991 0 U 1.290e+03 0.00e+00 - 0 113 115 112 0 22 4.146 1.218 62.686 0 U 7.883e+03 0.00e+00 - 0 245 860 244 0 23 4.143 0.903 61.927 0 U 4.792e+03 0.00e+00 - 0 0 0 0 0 24 3.890 7.786 44.873 0 U -2.498e+03 0.00e+00 - 0 125 128 123 0 25 0.267 4.013 22.993 0 U -3.550e+03 0.00e+00 - 0 845 130 843 0 26 0.267 1.776 22.986 0 U -1.718e+03 0.00e+00 - 0 0 0 0 0 27 0.267 0.890 23.000 0 U -1.658e+03 0.00e+00 - 0 845 847 843 0 28 0.263 0.735 23.004 0 U -8.361e+02 0.00e+00 - 0 845 133 843 0 29 0.267 0.259 22.993 0 U -3.584e+05 0.00e+00 - 0 0 0 0 0 30 0.920 7.792 26.443 0 U -8.661e+02 0.00e+00 - 0 847 128 844 0 31 0.924 0.277 26.308 0 U -1.922e+03 0.00e+00 - 0 0 0 0 0 32 0.283 0.924 42.043 0 U -1.067e+03 0.00e+00 - 0 132 847 131 0 33 0.287 0.747 41.994 0 U -4.516e+03 0.00e+00 - 0 132 133 131 0 34 4.020 7.362 54.695 0 U 7.988e+03 0.00e+00 - 0 130 142 129 0 35 4.023 0.745 54.611 0 U 1.000e+03 0.00e+00 - 0 130 133 129 0 36 4.020 0.265 54.681 0 U 4.619e+03 0.00e+00 - 0 0 0 0 0 37 0.109 7.169 23.827 0 U -7.845e+02 0.00e+00 - 0 846 987 842 0 38 0.104 4.015 23.756 0 U -1.069e+03 0.00e+00 - 0 846 130 842 0 39 0.108 1.875 23.745 0 U -9.969e+02 0.00e+00 - 0 846 391 842 0 40 0.104 1.781 23.938 0 U -1.354e+03 0.00e+00 - 0 0 0 0 0 41 0.103 0.911 23.775 0 U -2.407e+03 0.00e+00 - 0 846 847 842 0 42 0.104 0.751 23.760 0 U -2.086e+03 0.00e+00 - 0 846 133 842 0 43 0.757 0.912 42.026 0 U -3.539e+03 0.00e+00 - 0 133 847 131 0 44 0.758 0.279 41.985 0 U -7.816e+03 0.00e+00 - 0 0 0 0 0 45 0.759 0.113 41.922 0 U -1.655e+03 0.00e+00 - 0 133 846 131 0 46 3.533 8.841 65.423 0 U 1.486e+03 0.00e+00 - 0 147 151 145 0 47 3.533 7.367 65.358 0 U 1.012e+03 0.00e+00 - 0 147 142 145 0 48 3.531 5.002 65.468 0 U 3.696e+03 0.00e+00 - 0 147 144 145 0 49 3.532 4.275 65.350 0 U 1.018e+03 0.00e+00 - 0 147 190 145 0 50 3.532 1.328 65.452 0 U 2.594e+03 0.00e+00 - 0 147 852 145 0 51 3.456 8.839 65.429 0 U 1.412e+03 0.00e+00 - 0 146 151 145 0 52 3.457 7.357 65.399 0 U 1.277e+03 0.00e+00 - 0 146 142 145 0 53 3.454 5.001 65.417 0 U 3.816e+03 0.00e+00 - 0 146 144 145 0 54 3.457 4.260 65.337 0 U 9.086e+02 0.00e+00 - 0 146 190 145 0 55 3.454 1.328 65.453 0 U 2.723e+03 0.00e+00 - 0 146 852 145 0 56 5.009 8.839 56.068 0 U 7.079e+03 0.00e+00 - 0 144 151 143 0 57 5.005 7.360 56.003 0 U 2.068e+03 0.00e+00 - 0 144 142 143 0 58 5.009 7.066 55.997 0 U 3.875e+03 0.00e+00 - 0 0 0 0 0 59 5.008 3.491 56.015 0 U 5.714e+03 0.00e+00 - 0 0 0 0 0 60 4.982 2.690 55.743 0 U 4.545e+03 0.00e+00 - 0 169 171 168 0 61 5.011 1.334 56.037 0 U 2.820e+03 0.00e+00 - 0 144 852 143 0 62 3.488 8.837 31.202 0 U -2.615e+03 0.00e+00 - 0 156 151 154 0 63 3.486 8.560 31.164 0 U -1.940e+03 0.00e+00 - 0 156 203 154 0 64 3.486 8.142 31.129 0 U -1.685e+03 0.00e+00 - 0 156 188 154 0 65 3.487 4.425 31.180 0 U -1.177e+03 0.00e+00 - 0 156 153 154 0 66 3.486 3.014 31.140 0 U -8.157e+03 0.00e+00 - 0 156 155 154 0 67 3.483 2.465 31.078 0 U -1.018e+03 0.00e+00 - 0 0 0 0 0 68 3.483 1.172 31.177 0 U -1.982e+03 0.00e+00 - 0 156 851 154 0 69 3.016 9.818 31.108 0 U -1.644e+03 0.00e+00 - 0 155 410 154 0 70 3.019 8.839 31.108 0 U -3.044e+03 0.00e+00 - 0 155 151 154 0 71 3.023 8.559 31.214 0 U -9.028e+02 0.00e+00 - 0 155 203 154 0 72 3.017 8.150 31.159 0 U -1.114e+03 0.00e+00 - 0 155 188 154 0 73 3.024 6.309 31.109 0 U -1.226e+03 0.00e+00 - 0 155 997 154 0 74 3.020 4.432 31.148 0 U -1.996e+03 0.00e+00 - 0 155 153 154 0 75 2.989 4.217 31.054 0 U -2.968e+03 0.00e+00 - 0 415 412 413 0 76 3.021 3.477 31.148 0 U -9.782e+03 0.00e+00 - 0 155 156 154 0 77 2.993 2.456 31.054 0 U -8.771e+03 0.00e+00 - 0 415 895 413 0 78 3.013 1.177 31.135 0 U -3.902e+03 0.00e+00 - 0 0 0 0 0 79 4.438 9.557 59.652 0 U 6.693e+03 0.00e+00 - 0 153 160 152 0 80 4.436 5.737 59.612 0 U 4.011e+03 0.00e+00 - 0 153 401 152 0 81 4.439 3.010 59.594 0 U 2.463e+03 0.00e+00 - 0 153 155 152 0 82 1.441 9.072 18.961 0 U -2.439e+03 0.00e+00 - 0 164 167 163 0 83 1.443 7.763 18.968 0 U -2.289e+03 0.00e+00 - 0 164 1049 163 0 84 1.444 7.491 18.992 0 U -2.232e+03 0.00e+00 - 0 164 971 163 0 85 1.439 5.731 19.034 0 U -1.021e+03 0.00e+00 - 0 164 401 163 0 86 1.444 4.976 18.964 0 U -1.014e+03 0.00e+00 - 0 164 169 163 0 87 1.443 4.417 18.966 0 U -8.529e+02 0.00e+00 - 0 164 153 163 0 88 1.443 3.796 18.989 0 U -1.492e+03 0.00e+00 - 0 164 890 163 0 89 1.443 2.241 18.950 0 U -2.204e+03 0.00e+00 - 0 0 0 0 0 90 1.444 2.054 18.959 0 U -5.430e+03 0.00e+00 - 0 164 882 163 0 91 1.443 1.887 18.963 0 U -3.719e+03 0.00e+00 - 0 164 881 163 0 92 1.443 1.734 18.984 0 U -1.375e+03 0.00e+00 - 0 164 889 163 0 94 4.168 9.551 55.002 0 U 3.045e+03 0.00e+00 - 0 162 160 161 0 95 4.165 9.069 55.004 0 U 1.003e+03 0.00e+00 - 0 162 167 161 0 97 4.167 1.436 55.013 0 U 1.299e+04 0.00e+00 - 0 162 164 161 0 98 3.519 9.075 40.044 0 U -1.798e+03 0.00e+00 - 0 172 167 170 0 99 3.516 8.725 40.046 0 U -3.470e+03 0.00e+00 - 0 0 0 0 0 100 3.517 7.590 39.993 0 U -8.801e+02 0.00e+00 - 0 172 970 170 0 101 3.517 4.979 40.001 0 U -1.375e+03 0.00e+00 - 0 172 169 170 0 102 3.515 2.688 40.048 0 U -1.011e+04 0.00e+00 - 0 172 171 170 0 103 2.699 9.077 40.069 0 U -2.832e+03 0.00e+00 - 0 171 167 170 0 104 2.696 8.721 40.050 0 U -3.085e+03 0.00e+00 - 0 0 0 0 0 105 2.696 4.972 40.025 0 U -3.556e+03 0.00e+00 - 0 171 169 170 0 106 2.696 3.508 40.054 0 U -1.377e+04 0.00e+00 - 0 171 172 170 0 107 2.709 3.229 39.501 0 U -9.862e+03 0.00e+00 - 0 423 424 422 0 108 2.698 1.148 39.973 0 U -1.109e+03 0.00e+00 - 0 171 894 170 0 109 4.982 9.073 55.854 0 U 2.543e+03 0.00e+00 - 0 169 167 168 0 110 2.429 8.739 33.680 0 U -1.468e+03 0.00e+00 - 0 184 179 182 0 111 2.434 4.904 33.677 0 U -3.618e+03 0.00e+00 - 0 184 181 182 0 112 2.434 3.278 33.660 0 U -1.545e+04 0.00e+00 - 0 184 183 182 0 113 2.425 0.867 33.565 0 U -9.804e+02 0.00e+00 - 0 184 941 182 0 114 2.433 0.711 33.606 0 U -1.098e+03 0.00e+00 - 0 184 940 182 0 115 3.282 8.741 33.692 0 U -1.068e+03 0.00e+00 - 0 183 179 182 0 116 3.286 4.905 33.681 0 U -4.169e+03 0.00e+00 - 0 183 181 182 0 117 3.285 2.427 33.667 0 U -1.534e+04 0.00e+00 - 0 183 184 182 0 118 3.283 0.867 33.679 0 U -9.087e+02 0.00e+00 - 0 183 941 182 0 119 3.285 0.720 33.641 0 U -1.086e+03 0.00e+00 - 0 183 940 182 0 120 4.914 3.300 59.158 0 U 4.295e+03 0.00e+00 - 0 181 183 180 0 121 4.915 2.423 59.166 0 U 3.687e+03 0.00e+00 - 0 181 184 180 0 122 4.916 0.866 59.105 0 U 3.739e+03 0.00e+00 - 0 181 941 180 0 123 4.280 8.833 58.416 0 U 1.025e+03 0.00e+00 - 0 190 151 189 0 124 4.282 8.147 58.289 0 U 8.102e+03 0.00e+00 - 0 190 188 189 0 125 4.286 3.449 58.219 0 U 2.479e+03 0.00e+00 - 0 190 156 189 0 126 4.283 2.492 58.249 0 U 2.253e+03 0.00e+00 - 0 190 193 189 0 127 4.283 2.350 58.254 0 U 3.646e+03 0.00e+00 - 0 190 192 189 0 128 2.501 4.282 25.915 0 U -1.628e+03 0.00e+00 - 0 193 190 191 0 130 2.502 2.360 25.996 0 U -1.815e+04 0.00e+00 - 0 193 192 191 0 131 2.271 8.142 34.448 0 U -1.775e+03 0.00e+00 - 0 849 188 848 0 132 2.268 4.278 34.462 0 U -3.590e+03 0.00e+00 - 0 849 190 848 0 133 2.266 2.489 34.481 0 U -1.171e+04 0.00e+00 - 0 849 193 848 0 134 2.372 4.273 25.959 0 U -2.093e+03 0.00e+00 - 0 192 190 191 0 135 2.366 2.491 26.006 0 U -2.041e+04 0.00e+00 - 0 192 193 191 0 136 1.183 8.838 22.029 0 U -1.692e+03 0.00e+00 - 0 851 151 850 0 137 1.184 8.564 21.965 0 U -5.251e+03 0.00e+00 - 0 851 203 850 0 138 1.183 8.279 21.995 0 U -1.641e+03 0.00e+00 - 0 0 0 0 0 139 1.184 7.060 22.006 0 U -1.755e+03 0.00e+00 - 0 851 993 850 0 140 1.184 4.598 21.977 0 U -8.975e+03 0.00e+00 - 0 0 0 0 0 141 1.227 4.165 22.275 0 U -1.414e+04 0.00e+00 - 0 0 0 0 0 142 1.187 3.708 21.918 0 U -1.572e+03 0.00e+00 - 0 851 857 850 0 143 1.185 3.476 21.967 0 U -3.777e+03 0.00e+00 - 0 851 156 850 0 144 1.184 3.004 21.982 0 U -6.812e+03 0.00e+00 - 0 0 0 0 0 145 1.183 2.455 21.987 0 U -4.896e+03 0.00e+00 - 0 0 0 0 0 146 4.607 8.550 68.491 0 U 4.119e+03 0.00e+00 - 0 207 203 206 0 147 4.612 1.171 68.477 0 U 6.058e+03 0.00e+00 - 0 207 851 206 0 148 4.573 8.200 63.332 0 U 5.134e+03 0.00e+00 - 0 205 213 204 0 149 1.339 8.209 21.495 0 U -1.566e+03 0.00e+00 - 0 852 213 853 0 150 1.338 5.101 21.482 0 U -6.154e+03 0.00e+00 - 0 852 215 853 0 151 1.338 4.756 21.486 0 U -9.203e+03 0.00e+00 - 0 852 217 853 0 152 1.339 4.588 21.500 0 U -1.059e+03 0.00e+00 - 0 852 205 853 0 153 1.338 3.499 21.481 0 U -3.641e+03 0.00e+00 - 0 0 0 0 0 154 5.107 7.061 61.217 0 U 3.037e+03 0.00e+00 - 0 0 0 0 0 155 5.108 4.758 61.198 0 U 4.449e+03 0.00e+00 - 0 215 217 214 0 156 5.110 3.508 61.208 0 U 1.147e+03 0.00e+00 - 0 215 147 214 0 157 5.110 1.329 61.196 0 U 4.506e+03 0.00e+00 - 0 215 852 214 0 158 1.157 8.271 20.746 0 U -1.092e+03 0.00e+00 - 0 855 223 854 0 159 1.155 4.792 20.648 0 U -3.902e+03 0.00e+00 - 0 855 225 854 0 160 1.154 3.997 20.658 0 U -9.487e+03 0.00e+00 - 0 855 227 854 0 161 4.006 8.277 70.586 0 U 1.162e+03 0.00e+00 - 0 227 223 226 0 162 4.005 4.791 70.627 0 U 3.704e+03 0.00e+00 - 0 227 225 226 0 163 4.005 1.148 70.629 0 U 8.942e+03 0.00e+00 - 0 227 855 226 0 164 3.724 4.468 67.485 0 U 1.473e+03 0.00e+00 - 0 857 856 815 0 165 3.716 2.985 67.499 0 U 2.247e+03 0.00e+00 - 0 857 415 815 0 166 3.723 -0.760 67.484 0 U 1.870e+03 0.00e+00 - 0 857 859 815 0 167 4.472 3.714 60.120 0 U 4.097e+03 0.00e+00 - 0 856 857 816 0 168 4.475 1.169 60.048 0 U 1.563e+03 0.00e+00 - 0 0 0 0 0 169 4.188 1.217 68.860 0 U 9.482e+03 0.00e+00 - 0 247 860 246 0 170 0.772 4.331 25.202 0 U -8.440e+02 0.00e+00 - 0 866 255 863 0 171 0.771 1.440 25.203 0 U -8.226e+03 0.00e+00 - 0 866 257 863 0 172 1.354 8.407 27.065 0 U -7.818e+02 0.00e+00 - 0 867 267 864 0 173 1.356 4.323 26.850 0 U -8.350e+02 0.00e+00 - 0 867 255 864 0 174 1.340 0.920 26.901 0 U -2.241e+03 0.00e+00 - 0 867 865 864 0 175 1.443 6.960 44.591 0 U -7.085e+02 0.00e+00 - 0 0 0 0 0 176 1.443 4.326 44.592 0 U -4.499e+03 0.00e+00 - 0 257 255 256 0 177 1.444 3.227 44.606 0 U -1.891e+03 0.00e+00 - 0 257 424 256 0 178 1.445 2.705 44.673 0 U -7.858e+02 0.00e+00 - 0 257 423 256 0 179 1.442 0.912 44.592 0 U -3.506e+03 0.00e+00 - 0 257 865 256 0 180 1.444 0.761 44.610 0 U -5.203e+03 0.00e+00 - 0 257 866 256 0 181 0.923 8.403 23.820 0 U -2.300e+03 0.00e+00 - 0 865 267 862 0 182 0.922 4.331 23.786 0 U -5.543e+03 0.00e+00 - 0 865 255 862 0 183 0.923 1.433 23.782 0 U -5.245e+03 0.00e+00 - 0 865 257 862 0 184 0.930 0.095 23.750 0 U -4.459e+03 0.00e+00 - 0 0 0 0 0 185 4.634 9.147 57.014 0 U 4.949e+03 0.00e+00 - 0 269 291 268 0 186 3.148 9.155 29.850 0 U -8.479e+02 0.00e+00 - 0 272 291 270 0 187 3.141 8.404 29.767 0 U -1.761e+03 0.00e+00 - 0 272 267 270 0 188 3.148 7.283 29.784 0 U -1.174e+03 0.00e+00 - 0 272 995 270 0 189 3.140 7.177 29.803 0 U -1.075e+03 0.00e+00 - 0 272 987 270 0 190 3.134 4.630 29.837 0 U -1.568e+03 0.00e+00 - 0 272 269 270 0 191 3.141 3.017 29.791 0 U -1.761e+04 0.00e+00 - 0 272 271 270 0 192 3.025 8.411 29.753 0 U -1.638e+03 0.00e+00 - 0 271 267 270 0 193 3.015 7.295 29.806 0 U -9.759e+02 0.00e+00 - 0 271 995 270 0 194 3.022 7.174 29.779 0 U -1.103e+03 0.00e+00 - 0 271 987 270 0 195 3.021 4.637 29.840 0 U -1.424e+03 0.00e+00 - 0 271 269 270 0 196 3.022 3.131 29.793 0 U -1.466e+04 0.00e+00 - 0 271 272 270 0 197 1.413 9.132 32.696 0 U -1.110e+03 0.00e+00 - 0 296 291 294 0 198 1.398 4.657 32.751 0 U -7.888e+02 0.00e+00 - 0 0 0 0 0 199 1.410 3.255 32.602 0 U -7.587e+02 0.00e+00 - 0 296 871 294 0 200 1.411 2.020 32.751 0 U -6.724e+03 0.00e+00 - 0 296 295 294 0 201 1.412 0.744 32.733 0 U -1.673e+03 0.00e+00 - 0 296 893 294 0 202 1.504 4.076 29.073 0 U -7.537e+02 0.00e+00 - 0 870 421 868 0 203 1.495 3.063 29.090 0 U -1.297e+03 0.00e+00 - 0 870 872 868 0 204 1.494 2.028 29.081 0 U -1.049e+03 0.00e+00 - 0 870 295 868 0 205 1.503 1.619 29.099 0 U -1.532e+04 0.00e+00 - 0 870 869 868 0 206 3.080 4.075 43.696 0 U -1.333e+03 0.00e+00 - 0 872 421 300 0 207 3.082 3.520 43.619 0 U -1.582e+03 0.00e+00 - 0 872 450 300 0 208 3.078 3.243 43.634 0 U -1.404e+04 0.00e+00 - 0 872 871 300 0 209 3.079 2.021 43.603 0 U -1.085e+03 0.00e+00 - 0 872 295 300 0 210 3.075 1.632 43.628 0 U -1.782e+03 0.00e+00 - 0 872 869 300 0 211 3.080 1.446 43.604 0 U -2.379e+03 0.00e+00 - 0 0 0 0 0 212 2.038 1.625 32.837 0 U -2.368e+03 0.00e+00 - 0 295 869 294 0 213 1.639 4.660 29.091 0 U -8.943e+02 0.00e+00 - 0 869 293 868 0 214 1.633 4.038 28.969 0 U -1.029e+03 0.00e+00 - 0 0 0 0 0 215 1.638 3.252 29.093 0 U -8.290e+02 0.00e+00 - 0 869 871 868 0 216 3.264 4.046 43.743 0 U -1.165e+03 0.00e+00 - 0 0 0 0 0 217 3.195 3.188 43.272 0 U -1.952e+06 0.00e+00 - 0 0 0 0 0 218 3.261 3.074 43.636 0 U -1.338e+04 0.00e+00 - 0 871 872 300 0 219 3.262 2.877 43.931 0 U -1.513e+04 0.00e+00 - 0 1017 1016 1012 0 220 3.258 2.008 43.728 0 U -9.156e+02 0.00e+00 - 0 871 295 300 0 221 3.263 1.637 43.710 0 U -1.932e+03 0.00e+00 - 0 0 0 0 0 222 3.259 1.473 43.735 0 U -2.010e+03 0.00e+00 - 0 0 0 0 0 223 3.262 1.235 43.912 0 U -2.060e+03 0.00e+00 - 0 1017 1013 1012 0 224 3.262 0.771 43.910 0 U -2.526e+03 0.00e+00 - 0 1017 1014 1012 0 225 5.377 8.843 54.259 0 U 2.893e+03 0.00e+00 - 0 316 337 315 0 226 5.371 8.508 54.270 0 U 9.449e+02 0.00e+00 - 0 316 399 315 0 227 5.377 5.000 54.316 0 U 1.483e+03 0.00e+00 - 0 316 388 315 0 228 5.374 3.007 54.219 0 U 1.310e+03 0.00e+00 - 0 316 876 315 0 229 5.381 1.612 54.244 0 U 2.605e+03 0.00e+00 - 0 0 0 0 0 230 5.373 0.743 54.207 0 U 9.108e+02 0.00e+00 - 0 316 893 315 0 231 1.714 5.372 33.966 0 U -1.365e+03 0.00e+00 - 0 319 316 317 0 232 1.707 3.006 33.985 0 U -1.289e+03 0.00e+00 - 0 319 876 317 0 233 1.712 1.777 33.490 0 U -1.173e+05 0.00e+00 - 0 1041 1040 1026 0 234 1.706 1.484 33.961 0 U -6.516e+03 0.00e+00 - 0 319 875 317 0 235 1.480 5.362 26.584 0 U -1.136e+03 0.00e+00 - 0 875 316 873 0 236 1.484 3.013 26.580 0 U -2.811e+03 0.00e+00 - 0 875 876 873 0 237 1.486 1.613 26.603 0 U -3.340e+04 0.00e+00 - 0 0 0 0 0 238 3.009 5.372 43.304 0 U -2.368e+03 0.00e+00 - 0 876 316 323 0 239 3.009 5.002 43.270 0 U -2.184e+03 0.00e+00 - 0 876 388 323 0 240 3.027 1.614 43.314 0 U -4.891e+03 0.00e+00 - 0 0 0 0 0 241 3.017 1.483 43.332 0 U -2.460e+03 0.00e+00 - 0 876 875 323 0 242 1.622 5.367 33.981 0 U -1.646e+03 0.00e+00 - 0 318 316 317 0 243 1.618 3.590 34.033 0 U -7.296e+02 0.00e+00 - 0 318 371 317 0 244 1.622 3.012 33.984 0 U -8.659e+02 0.00e+00 - 0 318 876 317 0 245 1.625 5.371 26.624 0 U -1.442e+03 0.00e+00 - 0 874 316 873 0 246 1.644 4.331 26.983 0 U -2.879e+03 0.00e+00 - 0 0 0 0 0 247 1.644 3.184 26.970 0 U -7.399e+03 0.00e+00 - 0 0 0 0 0 248 1.622 3.015 26.555 0 U -2.899e+03 0.00e+00 - 0 874 876 873 0 249 2.863 8.848 38.688 0 U -9.355e+02 0.00e+00 - 0 342 337 340 0 250 2.872 7.758 38.600 0 U -8.209e+02 0.00e+00 - 0 342 1049 340 0 251 2.862 7.491 38.632 0 U -2.269e+03 0.00e+00 - 0 342 971 340 0 252 2.876 4.848 38.743 0 U -2.053e+03 0.00e+00 - 0 342 339 340 0 253 2.867 3.615 38.686 0 U -1.175e+04 0.00e+00 - 0 342 341 340 0 254 2.868 1.151 38.667 0 U -2.025e+03 0.00e+00 - 0 342 894 340 0 255 2.875 0.755 38.627 0 U -1.301e+03 0.00e+00 - 0 342 893 340 0 256 3.617 8.834 38.715 0 U -6.935e+02 0.00e+00 - 0 341 337 340 0 257 3.621 7.491 38.742 0 U -1.353e+03 0.00e+00 - 0 341 971 340 0 258 3.613 4.854 38.657 0 U -2.136e+03 0.00e+00 - 0 341 339 340 0 259 3.623 2.858 38.686 0 U -1.194e+04 0.00e+00 - 0 341 342 340 0 260 3.621 1.149 38.764 0 U -1.153e+03 0.00e+00 - 0 341 894 340 0 261 4.855 3.608 50.682 0 U 5.640e+03 0.00e+00 - 0 339 341 338 0 262 4.847 2.857 50.580 0 U 6.548e+03 0.00e+00 - 0 339 342 338 0 263 1.457 7.665 18.157 0 U -2.274e+03 0.00e+00 - 0 353 356 352 0 264 1.458 4.310 18.161 0 U -8.402e+02 0.00e+00 - 0 353 358 352 0 265 1.458 4.091 18.164 0 U -1.483e+04 0.00e+00 - 0 353 351 352 0 266 1.444 1.148 18.951 0 U -7.283e+03 0.00e+00 - 0 164 894 163 0 267 4.103 7.662 54.958 0 U 1.394e+03 0.00e+00 - 0 351 356 350 0 268 4.098 1.451 54.911 0 U 1.445e+04 0.00e+00 - 0 351 353 350 0 269 2.015 7.662 29.190 0 U -2.152e+03 0.00e+00 - 0 361 356 359 0 270 2.015 4.312 29.202 0 U -1.654e+03 0.00e+00 - 0 361 358 359 0 271 2.184 7.666 37.127 0 U -8.149e+02 0.00e+00 - 0 880 356 878 0 272 2.193 4.317 37.074 0 U -2.587e+03 0.00e+00 - 0 880 358 878 0 273 2.191 2.330 37.080 0 U -4.979e+04 0.00e+00 - 0 880 879 878 0 274 2.200 2.195 37.054 0 U -5.094e+04 0.00e+00 - 0 0 0 0 0 275 2.193 2.019 37.079 0 U -7.188e+03 0.00e+00 - 0 880 361 878 0 276 2.344 7.666 37.142 0 U -9.710e+02 0.00e+00 - 0 879 356 878 0 277 2.343 4.314 37.109 0 U -2.474e+03 0.00e+00 - 0 879 358 878 0 278 2.340 2.330 37.073 0 U -5.153e+04 0.00e+00 - 0 879 879 878 0 279 2.343 2.194 37.071 0 U -4.676e+04 0.00e+00 - 0 0 0 0 0 280 2.344 2.016 37.078 0 U -7.382e+03 0.00e+00 - 0 879 361 878 0 281 2.238 7.660 29.230 0 U -1.048e+03 0.00e+00 - 0 360 356 359 0 282 2.237 4.318 29.218 0 U -2.972e+03 0.00e+00 - 0 360 358 359 0 283 2.229 2.212 29.211 0 U -3.370e+04 0.00e+00 - 0 0 0 0 0 284 2.237 2.008 29.214 0 U -1.972e+04 0.00e+00 - 0 360 361 359 0 285 4.326 8.193 56.634 0 U 1.131e+03 0.00e+00 - 0 358 368 357 0 286 4.328 7.975 56.082 0 U 1.755e+03 0.00e+00 - 0 791 812 790 0 287 4.324 7.659 56.605 0 U 1.776e+03 0.00e+00 - 0 358 356 357 0 288 4.322 2.212 56.619 0 U 7.751e+03 0.00e+00 - 0 0 0 0 0 289 4.315 2.019 56.611 0 U 3.366e+03 0.00e+00 - 0 0 0 0 0 290 4.302 1.950 56.580 0 U 2.669e+03 0.00e+00 - 0 692 694 691 0 291 3.602 8.187 45.272 0 U -4.629e+03 0.00e+00 - 0 371 368 369 0 292 3.602 4.266 45.260 0 U -2.082e+04 0.00e+00 - 0 371 370 369 0 293 3.596 1.617 45.252 0 U -1.840e+03 0.00e+00 - 0 0 0 0 0 294 4.271 8.189 45.265 0 U -2.579e+03 0.00e+00 - 0 370 368 369 0 295 4.273 3.594 45.257 0 U -1.996e+04 0.00e+00 - 0 370 371 369 0 296 2.060 8.244 29.219 0 U -1.363e+03 0.00e+00 - 0 882 374 377 0 297 2.058 7.755 29.226 0 U -1.355e+03 0.00e+00 - 0 882 1049 377 0 298 2.060 4.618 29.247 0 U -1.752e+03 0.00e+00 - 0 882 1021 377 0 299 2.058 3.789 29.207 0 U -2.059e+03 0.00e+00 - 0 882 890 377 0 300 2.013 2.207 29.220 0 U -2.248e+04 0.00e+00 - 0 0 0 0 0 301 1.994 2.112 29.258 0 U -7.066e+04 0.00e+00 - 0 726 727 725 0 302 2.002 1.993 29.252 0 U -9.607e+04 0.00e+00 - 0 0 0 0 0 303 2.058 1.942 30.244 0 U -8.299e+04 0.00e+00 - 0 695 694 693 0 304 2.053 1.438 29.210 0 U -2.121e+03 0.00e+00 - 0 882 164 377 0 305 2.112 8.244 36.103 0 U -1.588e+03 0.00e+00 - 0 885 374 883 0 306 2.111 7.757 35.971 0 U -7.607e+02 0.00e+00 - 0 885 1049 883 0 307 2.111 4.616 36.049 0 U -1.806e+03 0.00e+00 - 0 885 1021 883 0 308 2.111 3.797 36.024 0 U -9.483e+02 0.00e+00 - 0 885 890 883 0 309 2.113 2.242 36.035 0 U -2.690e+04 0.00e+00 - 0 885 884 883 0 310 2.115 1.890 36.025 0 U -5.149e+03 0.00e+00 - 0 885 881 883 0 311 2.106 1.439 35.810 0 U -8.540e+02 0.00e+00 - 0 885 164 883 0 312 2.253 8.241 35.998 0 U -1.789e+03 0.00e+00 - 0 884 374 883 0 313 2.257 4.617 35.964 0 U -1.809e+03 0.00e+00 - 0 884 1021 883 0 314 2.255 3.799 35.945 0 U -1.052e+03 0.00e+00 - 0 884 890 883 0 315 2.258 2.105 36.041 0 U -3.313e+04 0.00e+00 - 0 0 0 0 0 316 2.262 1.906 36.051 0 U -5.856e+03 0.00e+00 - 0 0 0 0 0 317 1.893 8.238 29.195 0 U -1.482e+03 0.00e+00 - 0 881 374 377 0 318 1.894 7.760 29.256 0 U -1.719e+03 0.00e+00 - 0 881 1049 377 0 319 1.895 4.617 29.220 0 U -1.522e+03 0.00e+00 - 0 881 1021 377 0 320 1.895 3.797 29.328 0 U -1.468e+03 0.00e+00 - 0 881 890 377 0 321 1.894 2.243 29.249 0 U -3.292e+03 0.00e+00 - 0 881 884 377 0 322 1.896 2.060 29.222 0 U -1.207e+04 0.00e+00 - 0 881 882 377 0 323 1.899 1.442 29.237 0 U -1.357e+03 0.00e+00 - 0 881 164 377 0 324 4.624 3.789 53.489 0 U 1.126e+04 0.00e+00 - 0 1021 890 817 0 325 4.624 2.077 53.489 0 U 4.903e+03 0.00e+00 - 0 0 0 0 0 326 1.885 8.498 32.009 0 U -8.660e+02 0.00e+00 - 0 391 399 389 0 327 1.932 7.784 32.284 0 U -5.085e+03 0.00e+00 - 0 0 0 0 0 328 1.887 7.312 32.087 0 U -7.617e+02 0.00e+00 - 0 391 995 389 0 329 1.887 5.003 32.030 0 U -3.008e+03 0.00e+00 - 0 391 388 389 0 330 1.949 4.025 32.296 0 U -4.919e+03 0.00e+00 - 0 0 0 0 0 331 1.887 3.793 32.008 0 U -1.375e+03 0.00e+00 - 0 391 890 389 0 332 1.883 2.191 32.056 0 U -5.374e+03 0.00e+00 - 0 0 0 0 0 333 1.886 1.785 31.976 0 U -4.285e+04 0.00e+00 - 0 0 0 0 0 334 1.887 0.253 31.969 0 U -1.017e+03 0.00e+00 - 0 391 845 389 0 335 1.884 0.098 32.033 0 U -8.555e+02 0.00e+00 - 0 391 846 389 0 336 1.773 5.001 27.580 0 U -1.168e+03 0.00e+00 - 0 889 388 886 0 337 1.775 3.792 27.553 0 U -4.766e+03 0.00e+00 - 0 889 890 886 0 338 1.775 2.250 27.551 0 U -1.367e+04 0.00e+00 - 0 889 888 886 0 339 1.775 1.768 27.548 0 U -5.672e+04 0.00e+00 - 0 0 0 0 0 340 1.774 0.269 27.571 0 U -1.528e+03 0.00e+00 - 0 889 845 886 0 341 1.774 0.096 27.599 0 U -7.786e+02 0.00e+00 - 0 889 846 886 0 342 3.800 4.618 50.237 0 U 1.284e+04 0.00e+00 - 0 890 1021 887 0 343 3.801 2.249 50.226 0 U 6.338e+03 0.00e+00 - 0 0 0 0 0 344 3.800 2.058 50.236 0 U 5.007e+03 0.00e+00 - 0 890 882 887 0 345 3.800 1.773 50.216 0 U 5.831e+03 0.00e+00 - 0 0 0 0 0 346 3.799 1.435 50.273 0 U 1.056e+03 0.00e+00 - 0 890 164 887 0 347 1.798 8.514 32.058 0 U -1.110e+03 0.00e+00 - 0 390 399 389 0 348 1.788 7.291 32.059 0 U -1.014e+03 0.00e+00 - 0 390 995 389 0 349 1.791 5.004 32.028 0 U -3.641e+03 0.00e+00 - 0 390 388 389 0 350 1.778 4.305 32.043 0 U -3.182e+03 0.00e+00 - 0 606 603 604 0 351 1.789 3.789 32.003 0 U -1.452e+03 0.00e+00 - 0 390 890 389 0 352 1.772 3.638 32.057 0 U -5.973e+02 0.00e+00 - 0 606 935 604 0 353 1.784 2.903 32.006 0 U -9.795e+02 0.00e+00 - 0 606 936 604 0 354 1.777 2.178 32.055 0 U -1.896e+04 0.00e+00 - 0 606 605 604 0 355 1.790 0.262 32.019 0 U -9.083e+02 0.00e+00 - 0 0 0 0 0 356 1.793 0.096 32.041 0 U -1.103e+03 0.00e+00 - 0 390 846 389 0 357 5.010 8.508 62.722 0 U 1.118e+04 0.00e+00 - 0 388 399 387 0 358 5.009 5.367 62.776 0 U 3.716e+03 0.00e+00 - 0 388 316 387 0 359 5.008 3.019 62.686 0 U 2.460e+03 0.00e+00 - 0 388 876 387 0 360 5.009 1.876 62.724 0 U 5.168e+03 0.00e+00 - 0 388 391 387 0 361 5.011 1.783 62.731 0 U 4.309e+03 0.00e+00 - 0 0 0 0 0 362 2.256 4.995 27.558 0 U -6.925e+02 0.00e+00 - 0 888 388 886 0 363 2.257 3.793 27.547 0 U -5.832e+03 0.00e+00 - 0 888 890 886 0 364 2.258 1.770 27.543 0 U -1.668e+04 0.00e+00 - 0 0 0 0 0 365 2.259 0.266 27.484 0 U -1.347e+03 0.00e+00 - 0 888 845 886 0 366 2.256 0.102 27.612 0 U -7.243e+02 0.00e+00 - 0 888 846 886 0 367 0.751 9.297 19.144 0 U -1.488e+03 0.00e+00 - 0 893 447 891 0 368 0.751 8.506 19.190 0 U -4.101e+03 0.00e+00 - 0 893 399 891 0 369 0.752 5.731 19.207 0 U -1.351e+03 0.00e+00 - 0 893 401 891 0 370 0.752 5.363 19.181 0 U -1.897e+03 0.00e+00 - 0 893 316 891 0 371 0.749 4.997 19.112 0 U -1.231e+03 0.00e+00 - 0 893 388 891 0 372 0.752 3.910 19.168 0 U -3.064e+03 0.00e+00 - 0 893 449 891 0 373 0.751 3.520 19.163 0 U -2.912e+03 0.00e+00 - 0 893 450 891 0 374 0.755 2.859 19.143 0 U -1.217e+03 0.00e+00 - 0 893 342 891 0 375 0.751 2.229 19.166 0 U -6.965e+03 0.00e+00 - 0 893 403 891 0 376 0.752 2.030 19.116 0 U -1.413e+03 0.00e+00 - 0 893 295 891 0 377 0.751 1.414 19.177 0 U -4.067e+03 0.00e+00 - 0 0 0 0 0 378 0.751 1.149 19.176 0 U -8.669e+03 0.00e+00 - 0 893 894 891 0 379 2.235 9.808 36.804 0 U -1.911e+03 0.00e+00 - 0 403 410 402 0 380 2.234 9.294 36.797 0 U -7.467e+02 0.00e+00 - 0 0 0 0 0 381 2.238 5.730 36.824 0 U -2.799e+03 0.00e+00 - 0 403 401 402 0 382 2.241 3.293 36.719 0 U -1.026e+03 0.00e+00 - 0 403 443 402 0 383 2.237 3.135 36.814 0 U -1.678e+03 0.00e+00 - 0 403 896 402 0 384 2.237 1.150 36.800 0 U -3.902e+03 0.00e+00 - 0 403 894 402 0 385 2.238 0.745 36.776 0 U -4.737e+03 0.00e+00 - 0 403 893 402 0 386 5.742 9.812 58.777 0 U 3.710e+03 0.00e+00 - 0 401 410 400 0 387 5.737 9.551 58.828 0 U 1.491e+03 0.00e+00 - 0 401 160 400 0 388 5.745 8.511 58.756 0 U 1.330e+03 0.00e+00 - 0 401 399 400 0 389 5.740 4.431 58.718 0 U 2.893e+03 0.00e+00 - 0 401 153 400 0 390 5.738 2.229 58.758 0 U 2.156e+03 0.00e+00 - 0 401 403 400 0 391 5.741 1.151 58.749 0 U 2.993e+03 0.00e+00 - 0 401 894 400 0 392 1.156 9.558 23.125 0 U -1.820e+03 0.00e+00 - 0 894 160 892 0 393 1.158 9.075 23.095 0 U -1.460e+03 0.00e+00 - 0 894 167 892 0 394 1.156 8.842 23.106 0 U -8.109e+02 0.00e+00 - 0 894 337 892 0 395 1.155 8.522 23.155 0 U -1.043e+03 0.00e+00 - 0 894 399 892 0 396 1.159 7.771 23.154 0 U -7.958e+02 0.00e+00 - 0 894 1049 892 0 397 1.158 7.491 23.139 0 U -1.099e+03 0.00e+00 - 0 894 971 892 0 398 1.159 5.737 23.078 0 U -3.458e+03 0.00e+00 - 0 894 401 892 0 399 1.157 2.860 23.056 0 U -2.755e+03 0.00e+00 - 0 894 342 892 0 400 1.157 2.228 23.075 0 U -5.310e+03 0.00e+00 - 0 894 403 892 0 401 1.157 1.439 23.090 0 U -4.766e+03 0.00e+00 - 0 0 0 0 0 402 1.158 0.746 23.111 0 U -8.294e+03 0.00e+00 - 0 894 893 892 0 403 2.988 7.844 31.108 0 U -1.273e+03 0.00e+00 - 0 415 419 413 0 404 2.990 3.707 31.048 0 U -2.028e+03 0.00e+00 - 0 415 857 413 0 405 2.466 9.816 31.044 0 U -1.063e+03 0.00e+00 - 0 895 410 413 0 406 2.465 4.219 31.049 0 U -2.124e+03 0.00e+00 - 0 895 412 413 0 407 2.464 3.704 30.984 0 U -1.006e+03 0.00e+00 - 0 895 857 413 0 408 2.462 2.985 31.063 0 U -7.737e+03 0.00e+00 - 0 895 415 413 0 409 2.462 1.172 31.045 0 U -2.309e+03 0.00e+00 - 0 895 851 413 0 410 4.226 9.826 57.943 0 U 1.111e+03 0.00e+00 - 0 412 410 411 0 411 4.223 7.839 57.936 0 U 2.210e+03 0.00e+00 - 0 412 419 411 0 412 4.223 4.631 57.932 0 U 1.370e+03 0.00e+00 - 0 412 269 411 0 413 4.224 2.985 57.972 0 U 3.784e+03 0.00e+00 - 0 412 415 411 0 414 4.225 2.455 57.968 0 U 2.914e+03 0.00e+00 - 0 412 895 411 0 415 4.226 -0.762 57.929 0 U 2.154e+03 0.00e+00 - 0 412 859 411 0 416 3.230 8.166 39.491 0 U -1.050e+03 0.00e+00 - 0 424 431 422 0 417 3.211 7.834 39.744 0 U -7.533e+03 0.00e+00 - 0 0 0 0 0 418 3.209 7.321 39.757 0 U -4.957e+03 0.00e+00 - 0 471 983 470 0 419 3.213 4.063 39.707 0 U -3.596e+03 0.00e+00 - 0 0 0 0 0 420 3.236 2.702 39.486 0 U -8.010e+03 0.00e+00 - 0 424 423 422 0 421 3.235 1.446 39.461 0 U -1.860e+03 0.00e+00 - 0 424 257 422 0 422 3.209 1.142 39.730 0 U -1.999e+03 0.00e+00 - 0 471 1009 470 0 423 2.706 8.165 39.459 0 U -1.860e+03 0.00e+00 - 0 423 431 422 0 424 2.715 7.840 39.500 0 U -1.217e+03 0.00e+00 - 0 423 419 422 0 425 2.712 4.082 39.400 0 U -1.610e+03 0.00e+00 - 0 423 421 422 0 426 2.705 1.436 39.421 0 U -1.315e+03 0.00e+00 - 0 423 257 422 0 427 4.065 8.732 57.700 0 U 2.458e+03 0.00e+00 - 0 0 0 0 0 428 4.072 7.815 57.736 0 U 2.194e+03 0.00e+00 - 0 0 0 0 0 429 4.083 3.233 57.605 0 U 2.723e+03 0.00e+00 - 0 0 0 0 0 430 4.084 3.074 57.607 0 U 2.079e+03 0.00e+00 - 0 421 872 420 0 431 4.086 2.697 57.681 0 U 1.254e+03 0.00e+00 - 0 421 423 420 0 432 4.061 1.939 57.762 0 U 3.491e+03 0.00e+00 - 0 0 0 0 0 433 4.064 1.760 57.736 0 U 2.881e+03 0.00e+00 - 0 455 457 454 0 434 4.066 1.648 57.763 0 U 2.443e+03 0.00e+00 - 0 0 0 0 0 435 4.068 1.503 57.717 0 U 4.756e+03 0.00e+00 - 0 455 458 454 0 436 4.062 0.831 57.752 0 U 6.481e+03 0.00e+00 - 0 0 0 0 0 437 1.514 9.273 18.368 0 U -3.857e+03 0.00e+00 - 0 435 438 434 0 438 1.514 8.167 18.380 0 U -8.203e+03 0.00e+00 - 0 435 431 434 0 439 1.514 4.127 18.412 0 U -1.382e+04 0.00e+00 - 0 435 433 434 0 440 4.138 8.166 55.565 0 U 2.491e+03 0.00e+00 - 0 433 431 432 0 441 4.138 1.759 55.612 0 U 1.793e+03 0.00e+00 - 0 433 457 432 0 442 4.135 1.505 55.497 0 U 1.137e+04 0.00e+00 - 0 0 0 0 0 443 4.138 0.838 55.556 0 U 1.449e+03 0.00e+00 - 0 0 0 0 0 444 3.303 9.279 28.921 0 U -1.747e+03 0.00e+00 - 0 0 0 0 0 445 3.304 4.003 28.824 0 U -1.065e+03 0.00e+00 - 0 443 440 441 0 446 3.299 3.290 28.931 0 U -1.281e+04 0.00e+00 - 0 443 443 441 0 447 3.300 3.140 28.936 0 U -1.085e+04 0.00e+00 - 0 443 896 441 0 448 3.300 2.224 28.907 0 U -1.025e+03 0.00e+00 - 0 443 403 441 0 449 3.300 1.149 28.849 0 U -7.537e+02 0.00e+00 - 0 0 0 0 0 450 3.146 9.277 28.943 0 U -2.871e+03 0.00e+00 - 0 0 0 0 0 451 3.136 4.005 28.950 0 U -9.852e+02 0.00e+00 - 0 896 440 441 0 452 3.147 3.289 28.942 0 U -1.057e+04 0.00e+00 - 0 896 443 441 0 453 3.145 2.229 28.900 0 U -1.709e+03 0.00e+00 - 0 896 403 441 0 454 3.148 1.152 28.924 0 U -8.571e+02 0.00e+00 - 0 896 894 441 0 455 3.139 0.740 28.875 0 U -6.774e+02 0.00e+00 - 0 896 893 441 0 456 4.013 9.279 65.506 0 U 1.567e+03 0.00e+00 - 0 0 0 0 0 457 4.013 3.273 65.505 0 U 2.386e+03 0.00e+00 - 0 0 0 0 0 458 4.014 3.186 65.456 0 U 2.377e+03 0.00e+00 - 0 0 0 0 0 459 4.013 2.869 65.436 0 U 9.506e+02 0.00e+00 - 0 440 1016 439 0 460 4.017 1.680 65.392 0 U 7.336e+02 0.00e+00 - 0 440 1015 439 0 461 4.015 1.139 65.485 0 U 1.818e+03 0.00e+00 - 0 440 1009 439 0 462 3.523 9.298 47.479 0 U -2.968e+03 0.00e+00 - 0 450 447 448 0 463 3.533 8.730 47.418 0 U -1.008e+03 0.00e+00 - 0 450 453 448 0 464 3.525 3.911 47.446 0 U -1.416e+04 0.00e+00 - 0 450 449 448 0 465 3.532 3.072 47.443 0 U -8.943e+02 0.00e+00 - 0 450 872 448 0 466 3.521 0.744 47.489 0 U -1.749e+03 0.00e+00 - 0 450 893 448 0 467 3.917 9.299 47.432 0 U -2.795e+03 0.00e+00 - 0 449 447 448 0 468 3.920 8.732 47.474 0 U -1.173e+03 0.00e+00 - 0 449 453 448 0 469 3.917 3.518 47.440 0 U -1.538e+04 0.00e+00 - 0 449 450 448 0 470 3.914 3.058 47.594 0 U -1.188e+03 0.00e+00 - 0 449 872 448 0 471 3.917 2.225 47.498 0 U -1.031e+03 0.00e+00 - 0 0 0 0 0 472 3.916 0.740 47.448 0 U -2.411e+03 0.00e+00 - 0 449 893 448 0 473 0.837 8.744 23.146 0 U -9.880e+02 0.00e+00 - 0 900 453 897 0 474 0.837 4.056 23.069 0 U -7.862e+03 0.00e+00 - 0 900 455 897 0 475 0.836 1.653 23.081 0 U -6.296e+03 0.00e+00 - 0 900 902 897 0 476 0.836 1.513 23.073 0 U -4.905e+03 0.00e+00 - 0 900 458 897 0 477 1.662 8.739 26.829 0 U -1.877e+03 0.00e+00 - 0 0 0 0 0 478 1.675 8.265 26.725 0 U -1.261e+03 0.00e+00 - 0 942 614 939 0 479 1.659 4.066 26.913 0 U -1.287e+03 0.00e+00 - 0 902 455 899 0 480 1.673 0.721 26.776 0 U -3.048e+03 0.00e+00 - 0 942 940 939 0 481 1.770 8.733 41.813 0 U -3.233e+03 0.00e+00 - 0 457 453 456 0 482 1.765 7.834 41.826 0 U -1.191e+03 0.00e+00 - 0 457 467 456 0 483 1.772 4.065 41.732 0 U -2.368e+03 0.00e+00 - 0 457 455 456 0 484 1.772 1.764 41.780 0 U -3.440e+04 0.00e+00 - 0 457 457 456 0 485 1.775 1.511 41.785 0 U -1.891e+04 0.00e+00 - 0 457 458 456 0 486 1.773 0.836 41.777 0 U -4.192e+03 0.00e+00 - 0 0 0 0 0 487 0.849 4.057 24.804 0 U -2.447e+03 0.00e+00 - 0 901 455 898 0 488 0.847 1.756 24.790 0 U -4.137e+03 0.00e+00 - 0 901 457 898 0 489 0.848 1.652 24.820 0 U -4.450e+03 0.00e+00 - 0 901 902 898 0 490 0.856 1.515 24.875 0 U -3.100e+03 0.00e+00 - 0 0 0 0 0 491 1.516 8.736 41.789 0 U -2.172e+03 0.00e+00 - 0 458 453 456 0 492 1.512 8.272 42.366 0 U -1.383e+03 0.00e+00 - 0 618 614 617 0 493 1.513 7.824 41.727 0 U -9.298e+02 0.00e+00 - 0 458 467 456 0 494 1.510 4.276 42.332 0 U -2.408e+03 0.00e+00 - 0 618 616 617 0 495 1.519 4.061 41.776 0 U -2.944e+03 0.00e+00 - 0 458 455 456 0 496 1.517 1.762 41.789 0 U -1.989e+04 0.00e+00 - 0 458 457 456 0 497 1.517 0.842 41.938 0 U -6.501e+03 0.00e+00 - 0 0 0 0 0 498 1.517 0.710 42.249 0 U -1.419e+03 0.00e+00 - 0 618 940 617 0 499 4.079 7.828 62.186 0 U 3.106e+03 0.00e+00 - 0 0 0 0 0 500 4.076 7.324 62.242 0 U 1.336e+03 0.00e+00 - 0 469 983 468 0 501 4.079 5.507 62.226 0 U 1.708e+03 0.00e+00 - 0 469 998 468 0 502 4.080 3.203 62.208 0 U 3.670e+03 0.00e+00 - 0 469 471 468 0 503 4.080 1.301 62.215 0 U 8.191e+02 0.00e+00 - 0 469 916 468 0 504 4.077 0.873 62.272 0 U 9.609e+02 0.00e+00 - 0 0 0 0 0 505 3.207 8.746 39.621 0 U -8.039e+02 0.00e+00 - 0 0 0 0 0 506 2.221 7.838 31.784 0 U -1.415e+03 0.00e+00 - 0 0 0 0 0 507 2.242 4.529 31.780 0 U -1.590e+03 0.00e+00 - 0 490 488 489 0 508 2.185 4.303 32.045 0 U -5.792e+03 0.00e+00 - 0 605 603 604 0 509 2.186 1.890 32.087 0 U -1.241e+04 0.00e+00 - 0 0 0 0 0 510 2.186 1.756 32.074 0 U -3.459e+04 0.00e+00 - 0 0 0 0 0 511 2.419 2.484 31.744 0 U -1.125e+05 0.00e+00 - 0 1056 1055 1054 0 512 2.439 2.225 32.111 0 U -7.408e+03 0.00e+00 - 0 0 0 0 0 513 2.427 2.036 32.401 0 U -2.944e+03 0.00e+00 - 0 904 1001 903 0 514 2.044 4.748 17.397 0 U -2.384e+03 0.00e+00 - 0 1001 923 1002 0 515 2.043 4.607 17.369 0 U -2.128e+03 0.00e+00 - 0 1001 567 1002 0 516 2.043 3.747 17.385 0 U -3.016e+03 0.00e+00 - 0 1001 930 1002 0 517 2.044 3.630 17.383 0 U -1.172e+03 0.00e+00 - 0 1001 1008 1002 0 518 2.045 2.419 17.372 0 U -1.720e+03 0.00e+00 - 0 1001 904 1002 0 519 2.047 2.326 17.416 0 U -1.080e+03 0.00e+00 - 0 1001 1003 1002 0 520 2.044 1.733 17.378 0 U -1.857e+03 0.00e+00 - 0 1001 928 1002 0 521 4.532 7.827 57.720 0 U 2.599e+03 0.00e+00 - 0 0 0 0 0 522 4.534 7.359 57.673 0 U 2.776e+03 0.00e+00 - 0 0 0 0 0 523 4.532 2.216 57.668 0 U 5.062e+03 0.00e+00 - 0 0 0 0 0 524 2.798 4.519 32.259 0 U -7.497e+02 0.00e+00 - 0 905 488 903 0 525 2.804 2.430 32.210 0 U -1.232e+04 0.00e+00 - 0 905 904 903 0 526 2.805 2.225 32.118 0 U -5.913e+03 0.00e+00 - 0 0 0 0 0 527 4.021 7.788 58.868 0 U 3.675e+03 0.00e+00 - 0 0 0 0 0 528 4.020 1.933 58.890 0 U 6.178e+03 0.00e+00 - 0 0 0 0 0 529 4.019 1.628 58.947 0 U 7.616e+02 0.00e+00 - 0 501 911 500 0 530 4.021 1.499 58.889 0 U 2.101e+03 0.00e+00 - 0 501 908 500 0 531 4.020 1.393 58.938 0 U 1.292e+03 0.00e+00 - 0 501 909 500 0 532 1.956 1.500 32.293 0 U -2.089e+03 0.00e+00 - 0 503 908 502 0 533 1.937 1.402 32.371 0 U -1.775e+03 0.00e+00 - 0 0 0 0 0 534 1.401 4.024 24.592 0 U -1.606e+03 0.00e+00 - 0 909 501 906 0 535 1.405 1.925 24.573 0 U -2.275e+03 0.00e+00 - 0 0 0 0 0 536 1.402 1.663 24.635 0 U -3.112e+04 0.00e+00 - 0 0 0 0 0 537 2.997 1.673 42.025 0 U -3.199e+04 0.00e+00 - 0 0 0 0 0 538 2.980 1.504 41.942 0 U -2.087e+03 0.00e+00 - 0 912 908 511 0 539 2.979 1.403 41.874 0 U -1.455e+03 0.00e+00 - 0 0 0 0 0 540 1.680 2.987 29.005 0 U -2.430e+04 0.00e+00 - 0 0 0 0 0 541 1.682 1.895 29.026 0 U -3.450e+03 0.00e+00 - 0 1062 1061 907 0 542 1.679 1.670 29.025 0 U -1.114e+06 0.00e+00 - 0 0 0 0 0 543 1.954 4.410 32.717 0 U -1.697e+03 0.00e+00 - 0 640 637 638 0 544 1.509 4.023 24.579 0 U -1.397e+03 0.00e+00 - 0 908 501 906 0 545 1.499 2.964 24.655 0 U -7.846e+02 0.00e+00 - 0 908 912 906 0 546 1.509 1.932 24.587 0 U -1.854e+03 0.00e+00 - 0 0 0 0 0 547 1.503 1.407 24.616 0 U -6.299e+04 0.00e+00 - 0 908 909 906 0 548 1.624 2.961 29.095 0 U -1.638e+03 0.00e+00 - 0 911 912 907 0 549 0.652 4.027 23.396 0 U -5.187e+03 0.00e+00 - 0 918 520 913 0 550 0.652 1.285 23.378 0 U -1.833e+03 0.00e+00 - 0 918 916 913 0 551 0.652 0.867 23.370 0 U -5.294e+03 0.00e+00 - 0 918 917 913 0 552 1.166 7.772 26.481 0 U -1.809e+03 0.00e+00 - 0 920 518 915 0 553 1.173 4.038 26.426 0 U -9.142e+02 0.00e+00 - 0 0 0 0 0 554 1.171 0.884 26.727 0 U -4.016e+03 0.00e+00 - 0 920 917 915 0 555 1.164 0.695 26.629 0 U -2.292e+03 0.00e+00 - 0 0 0 0 0 556 0.892 8.362 42.485 0 U -7.697e+02 0.00e+00 - 0 917 532 521 0 557 0.897 7.773 42.419 0 U -2.329e+03 0.00e+00 - 0 917 518 521 0 558 0.897 4.029 42.441 0 U -2.852e+03 0.00e+00 - 0 917 520 521 0 559 0.897 1.292 42.417 0 U -1.587e+04 0.00e+00 - 0 917 916 521 0 560 0.898 1.168 42.402 0 U -4.034e+03 0.00e+00 - 0 917 920 521 0 561 0.899 0.890 42.416 0 U -3.991e+04 0.00e+00 - 0 917 917 521 0 562 0.903 0.664 42.396 0 U -2.570e+03 0.00e+00 - 0 917 918 521 0 563 4.030 7.776 56.814 0 U 2.922e+03 0.00e+00 - 0 520 518 519 0 564 4.030 1.292 56.781 0 U 3.469e+03 0.00e+00 - 0 520 916 519 0 565 4.030 0.890 56.771 0 U 3.917e+03 0.00e+00 - 0 520 917 519 0 566 4.031 0.653 56.771 0 U 4.290e+03 0.00e+00 - 0 520 918 519 0 567 0.722 4.032 23.963 0 U -3.362e+03 0.00e+00 - 0 0 0 0 0 568 0.723 1.289 23.988 0 U -2.910e+03 0.00e+00 - 0 919 916 914 0 569 0.728 1.159 23.977 0 U -3.496e+03 0.00e+00 - 0 919 920 914 0 570 1.298 8.373 42.371 0 U -1.137e+03 0.00e+00 - 0 916 532 521 0 571 1.300 7.772 42.439 0 U -3.721e+03 0.00e+00 - 0 916 518 521 0 572 1.299 4.032 42.401 0 U -3.458e+03 0.00e+00 - 0 0 0 0 0 573 1.301 0.890 42.414 0 U -1.732e+04 0.00e+00 - 0 916 917 521 0 574 1.299 0.707 42.441 0 U -2.666e+03 0.00e+00 - 0 916 919 521 0 575 3.069 8.353 31.957 0 U -1.075e+03 0.00e+00 - 0 922 532 535 0 576 3.066 6.584 32.182 0 U -9.227e+02 0.00e+00 - 0 922 985 535 0 577 3.067 5.514 31.928 0 U -6.814e+02 0.00e+00 - 0 922 998 535 0 578 3.066 4.650 31.972 0 U -1.883e+03 0.00e+00 - 0 922 534 535 0 579 3.068 2.686 31.969 0 U -1.536e+04 0.00e+00 - 0 922 921 535 0 580 3.068 0.903 31.985 0 U -2.303e+03 0.00e+00 - 0 922 1006 535 0 581 2.693 8.363 31.831 0 U -1.237e+03 0.00e+00 - 0 921 532 535 0 582 2.695 7.349 31.916 0 U -1.043e+03 0.00e+00 - 0 0 0 0 0 583 2.693 6.593 31.963 0 U -8.500e+02 0.00e+00 - 0 921 985 535 0 584 2.691 4.647 31.999 0 U -8.370e+02 0.00e+00 - 0 921 534 535 0 585 2.693 3.059 31.969 0 U -1.213e+04 0.00e+00 - 0 921 922 535 0 586 2.696 0.900 32.017 0 U -1.669e+03 0.00e+00 - 0 921 1006 535 0 587 4.148 8.523 46.082 0 U -2.059e+03 0.00e+00 - 0 551 548 549 0 588 4.150 7.359 46.190 0 U -8.530e+02 0.00e+00 - 0 551 554 549 0 590 4.150 3.923 46.066 0 U -1.695e+04 0.00e+00 - 0 551 550 549 0 591 4.153 1.010 46.153 0 U -8.591e+02 0.00e+00 - 0 551 1007 549 0 592 3.927 8.526 46.060 0 U -2.079e+03 0.00e+00 - 0 550 548 549 0 593 3.933 7.365 46.035 0 U -8.370e+02 0.00e+00 - 0 550 554 549 0 594 3.929 4.139 46.071 0 U -1.936e+04 0.00e+00 - 0 550 551 549 0 595 0.911 7.355 18.619 0 U -6.146e+03 0.00e+00 - 0 0 0 0 0 596 0.911 6.595 18.628 0 U -6.073e+03 0.00e+00 - 0 1006 985 1004 0 597 0.910 4.758 18.634 0 U -2.005e+03 0.00e+00 - 0 1006 923 1004 0 598 0.910 3.752 18.481 0 U -8.951e+02 0.00e+00 - 0 1006 930 1004 0 599 0.911 3.632 18.556 0 U -1.751e+03 0.00e+00 - 0 1006 1008 1004 0 600 0.912 3.060 18.628 0 U -3.386e+03 0.00e+00 - 0 1006 922 1004 0 601 0.910 2.682 18.626 0 U -2.136e+03 0.00e+00 - 0 1006 921 1004 0 602 0.911 2.317 18.614 0 U -1.091e+04 0.00e+00 - 0 1006 1003 1004 0 603 2.324 4.751 33.447 0 U -4.459e+03 0.00e+00 - 0 1003 923 819 0 604 2.323 3.744 33.414 0 U -2.986e+03 0.00e+00 - 0 1003 930 819 0 605 2.325 3.636 33.473 0 U -5.876e+03 0.00e+00 - 0 1003 1008 819 0 606 2.324 1.021 33.471 0 U -7.245e+03 0.00e+00 - 0 1003 1007 819 0 607 2.326 0.905 33.478 0 U -6.367e+03 0.00e+00 - 0 1003 1006 819 0 608 1.030 7.357 22.025 0 U -1.377e+03 0.00e+00 - 0 1007 554 1005 0 609 1.028 4.751 22.085 0 U -7.203e+03 0.00e+00 - 0 1007 923 1005 0 610 1.027 3.748 22.061 0 U -1.573e+03 0.00e+00 - 0 1007 930 1005 0 611 1.026 3.632 22.147 0 U -1.874e+03 0.00e+00 - 0 1007 1008 1005 0 612 1.027 2.317 22.071 0 U -1.081e+04 0.00e+00 - 0 1007 1003 1005 0 613 1.196 1.187 21.626 0 U -9.773e+05 0.00e+00 - 0 0 0 0 0 614 1.735 8.747 32.220 0 U -8.675e+02 0.00e+00 - 0 928 27 568 0 615 1.737 4.603 32.129 0 U -2.013e+03 0.00e+00 - 0 928 567 568 0 616 1.740 3.762 32.164 0 U -9.150e+02 0.00e+00 - 0 928 930 568 0 617 1.743 3.636 32.110 0 U -1.466e+03 0.00e+00 - 0 928 1008 568 0 618 1.744 2.179 32.108 0 U -1.366e+04 0.00e+00 - 0 928 929 568 0 619 1.926 3.747 27.594 0 U -2.642e+03 0.00e+00 - 0 927 930 924 0 620 1.915 3.634 27.493 0 U -2.188e+03 0.00e+00 - 0 927 1008 924 0 621 1.918 2.163 27.560 0 U -4.647e+03 0.00e+00 - 0 927 929 924 0 622 3.640 4.748 50.397 0 U 5.166e+03 0.00e+00 - 0 1008 923 925 0 623 3.642 3.748 50.351 0 U 2.598e+04 0.00e+00 - 0 1008 930 925 0 624 3.642 3.635 50.346 0 U 3.770e+04 0.00e+00 - 0 1008 1008 925 0 625 3.643 2.316 50.351 0 U 5.713e+03 0.00e+00 - 0 1008 1003 925 0 626 3.642 2.007 50.330 0 U 3.198e+03 0.00e+00 - 0 0 0 0 0 627 3.640 1.732 50.292 0 U 9.307e+02 0.00e+00 - 0 1008 928 925 0 628 3.642 1.024 50.356 0 U 1.652e+03 0.00e+00 - 0 1008 1007 925 0 629 3.755 4.752 50.370 0 U 8.121e+03 0.00e+00 - 0 930 923 925 0 630 3.755 3.636 50.350 0 U 2.804e+04 0.00e+00 - 0 930 1008 925 0 631 3.756 2.315 50.339 0 U 4.153e+03 0.00e+00 - 0 930 1003 925 0 632 3.752 2.188 50.353 0 U 1.124e+03 0.00e+00 - 0 930 929 925 0 633 3.757 2.012 50.349 0 U 3.393e+03 0.00e+00 - 0 0 0 0 0 634 3.753 1.003 50.309 0 U 1.212e+03 0.00e+00 - 0 930 1007 925 0 635 2.188 8.745 32.173 0 U -1.114e+03 0.00e+00 - 0 929 27 568 0 636 2.188 4.605 32.125 0 U -4.187e+03 0.00e+00 - 0 929 567 568 0 637 2.187 3.744 32.092 0 U -1.158e+03 0.00e+00 - 0 929 930 568 0 638 2.185 3.635 32.096 0 U -1.872e+03 0.00e+00 - 0 0 0 0 0 639 2.186 2.179 32.059 0 U -1.069e+05 0.00e+00 - 0 0 0 0 0 640 4.615 8.747 61.642 0 U 7.204e+03 0.00e+00 - 0 567 27 566 0 641 4.615 2.208 61.715 0 U 6.380e+03 0.00e+00 - 0 567 929 566 0 642 2.010 4.605 27.588 0 U -8.801e+02 0.00e+00 - 0 926 567 924 0 643 2.014 3.743 27.615 0 U -3.161e+03 0.00e+00 - 0 926 930 924 0 644 2.013 3.634 27.609 0 U -3.273e+03 0.00e+00 - 0 926 1008 924 0 645 2.014 2.167 27.622 0 U -6.907e+03 0.00e+00 - 0 926 929 924 0 646 2.015 1.926 27.608 0 U -4.634e+04 0.00e+00 - 0 926 927 924 0 647 2.015 1.738 27.592 0 U -7.384e+03 0.00e+00 - 0 926 928 924 0 648 3.137 7.326 54.402 0 U 8.924e+02 0.00e+00 - 0 1010 983 28 0 649 3.132 3.637 54.514 0 U 3.881e+03 0.00e+00 - 0 1010 935 28 0 650 3.133 2.897 54.547 0 U 2.543e+03 0.00e+00 - 0 1010 936 28 0 651 3.135 1.685 54.532 0 U 7.608e+02 0.00e+00 - 0 1010 1015 28 0 652 3.140 1.176 54.522 0 U 1.188e+03 0.00e+00 - 0 1010 1009 28 0 653 3.140 0.774 54.489 0 U 1.202e+03 0.00e+00 - 0 1010 1014 28 0 654 1.691 8.729 32.817 0 U -1.953e+03 0.00e+00 - 0 0 0 0 0 655 1.687 7.595 32.816 0 U -1.022e+03 0.00e+00 - 0 1015 970 30 0 656 1.693 3.140 32.786 0 U -7.022e+02 0.00e+00 - 0 1015 1010 30 0 657 1.688 1.140 32.839 0 U -5.579e+03 0.00e+00 - 0 1015 1009 30 0 658 1.679 0.778 32.783 0 U -1.012e+03 0.00e+00 - 0 1015 1014 30 0 659 0.795 3.234 27.232 0 U -1.326e+03 0.00e+00 - 0 0 0 0 0 660 0.792 2.891 27.174 0 U -1.582e+03 0.00e+00 - 0 0 0 0 0 661 0.788 1.240 27.210 0 U -6.241e+03 0.00e+00 - 0 1014 1013 1011 0 662 2.889 7.331 43.966 0 U -8.179e+02 0.00e+00 - 0 1016 983 1012 0 663 2.880 4.006 43.861 0 U -1.055e+03 0.00e+00 - 0 1016 440 1012 0 664 2.884 3.252 43.929 0 U -1.372e+04 0.00e+00 - 0 0 0 0 0 665 2.881 1.667 43.975 0 U -1.041e+03 0.00e+00 - 0 1016 1015 1012 0 666 2.883 1.224 43.975 0 U -1.245e+03 0.00e+00 - 0 1016 1013 1012 0 667 2.882 0.776 43.937 0 U -1.934e+03 0.00e+00 - 0 1016 1014 1012 0 668 1.139 8.741 32.836 0 U -1.359e+03 0.00e+00 - 0 0 0 0 0 669 1.144 3.181 32.857 0 U -1.628e+03 0.00e+00 - 0 0 0 0 0 670 1.146 1.681 32.821 0 U -4.408e+03 0.00e+00 - 0 1009 1015 30 0 671 1.155 0.769 32.906 0 U -1.397e+03 0.00e+00 - 0 1009 1014 30 0 672 1.247 3.237 27.149 0 U -1.355e+03 0.00e+00 - 0 0 0 0 0 673 1.250 3.141 27.270 0 U -1.058e+03 0.00e+00 - 0 1013 1010 1011 0 674 1.252 2.880 27.227 0 U -1.353e+03 0.00e+00 - 0 0 0 0 0 675 1.249 1.684 27.173 0 U -1.628e+03 0.00e+00 - 0 1013 1015 1011 0 676 1.248 0.779 27.217 0 U -6.676e+03 0.00e+00 - 0 1013 1014 1011 0 677 3.259 3.247 43.778 0 U -4.378e+04 0.00e+00 - 0 0 0 0 0 678 1.885 4.304 27.157 0 U -1.600e+03 0.00e+00 - 0 934 603 932 0 679 1.889 3.637 27.191 0 U -4.612e+03 0.00e+00 - 0 934 935 932 0 680 1.879 3.127 27.076 0 U -8.460e+02 0.00e+00 - 0 934 1010 932 0 681 1.884 2.896 27.136 0 U -4.681e+03 0.00e+00 - 0 934 936 932 0 682 1.892 2.178 27.217 0 U -5.557e+03 0.00e+00 - 0 934 605 932 0 683 1.922 1.995 27.598 0 U -4.235e+04 0.00e+00 - 0 927 926 924 0 686 2.904 6.597 51.790 0 U 6.392e+02 0.00e+00 - 0 936 985 933 0 687 2.905 3.636 51.778 0 U 1.232e+04 0.00e+00 - 0 936 935 933 0 688 2.907 3.122 51.760 0 U 4.386e+03 0.00e+00 - 0 936 1010 933 0 689 2.904 1.878 51.779 0 U 4.278e+03 0.00e+00 - 0 936 934 933 0 690 2.903 1.239 51.725 0 U 8.150e+02 0.00e+00 - 0 936 1013 933 0 691 2.906 0.775 51.753 0 U 1.266e+03 0.00e+00 - 0 936 1014 933 0 692 3.644 6.598 51.791 0 U 1.549e+03 0.00e+00 - 0 935 985 933 0 693 3.644 3.125 51.773 0 U 6.693e+03 0.00e+00 - 0 935 1010 933 0 694 3.643 2.897 51.778 0 U 1.434e+04 0.00e+00 - 0 935 936 933 0 695 3.644 2.191 51.694 0 U 7.134e+02 0.00e+00 - 0 935 605 933 0 696 3.642 1.878 51.766 0 U 5.141e+03 0.00e+00 - 0 935 934 933 0 697 3.640 0.781 51.687 0 U 7.919e+02 0.00e+00 - 0 935 1014 933 0 698 4.311 8.278 62.465 0 U 6.846e+03 0.00e+00 - 0 603 614 602 0 699 4.312 2.177 62.453 0 U 7.670e+03 0.00e+00 - 0 603 605 602 0 700 4.310 1.879 62.384 0 U 2.580e+03 0.00e+00 - 0 603 934 602 0 701 4.312 1.776 62.434 0 U 3.230e+03 0.00e+00 - 0 603 606 602 0 702 0.721 8.708 22.994 0 U -8.019e+02 0.00e+00 - 0 0 0 0 0 703 0.723 4.905 22.989 0 U -1.723e+03 0.00e+00 - 0 940 181 937 0 704 0.724 4.274 23.012 0 U -7.294e+03 0.00e+00 - 0 940 616 937 0 705 0.722 3.278 22.971 0 U -1.900e+03 0.00e+00 - 0 940 183 937 0 706 0.723 2.426 23.018 0 U -2.084e+03 0.00e+00 - 0 940 184 937 0 707 0.722 1.658 23.011 0 U -5.162e+03 0.00e+00 - 0 940 942 937 0 708 0.723 1.510 22.999 0 U -3.698e+03 0.00e+00 - 0 940 618 937 0 709 4.279 8.278 54.600 0 U 1.609e+03 0.00e+00 - 0 616 614 615 0 710 4.280 1.523 54.517 0 U 4.385e+03 0.00e+00 - 0 616 618 615 0 711 4.276 0.852 54.537 0 U 1.075e+03 0.00e+00 - 0 616 941 615 0 712 4.279 0.714 54.530 0 U 5.597e+03 0.00e+00 - 0 616 940 615 0 713 0.870 4.904 25.195 0 U -2.249e+03 0.00e+00 - 0 941 181 938 0 714 1.590 8.285 42.321 0 U -1.284e+03 0.00e+00 - 0 619 614 617 0 715 1.592 4.272 42.322 0 U -2.791e+03 0.00e+00 - 0 619 616 617 0 716 1.591 0.861 42.342 0 U -2.825e+03 0.00e+00 - 0 619 941 617 0 717 1.592 0.716 42.376 0 U -1.852e+03 0.00e+00 - 0 619 940 617 0 718 1.345 4.240 18.978 0 U -1.141e+04 0.00e+00 - 0 632 630 631 0 719 4.246 1.336 52.471 0 U 9.056e+03 0.00e+00 - 0 630 632 629 0 720 1.949 2.033 32.625 0 U -1.052e+05 0.00e+00 - 0 640 943 638 0 721 1.948 1.941 32.494 0 U -1.111e+05 0.00e+00 - 0 0 0 0 0 722 4.414 2.014 55.392 0 U 2.907e+03 0.00e+00 - 0 0 0 0 0 723 1.760 4.335 30.700 0 U -6.284e+03 0.00e+00 - 0 0 0 0 0 724 1.764 3.182 30.697 0 U -2.218e+03 0.00e+00 - 0 751 1067 750 0 725 1.762 1.845 30.730 0 U -2.592e+05 0.00e+00 - 0 751 752 750 0 726 4.298 1.774 56.296 0 U 6.712e+03 0.00e+00 - 0 0 0 0 0 727 1.824 4.289 32.920 0 U -4.141e+03 0.00e+00 - 0 0 0 0 0 728 1.783 1.778 32.094 0 U -8.834e+04 0.00e+00 - 0 0 0 0 0 729 1.825 1.443 32.965 0 U -6.637e+03 0.00e+00 - 0 0 0 0 0 730 1.750 4.288 32.893 0 U -3.167e+03 0.00e+00 - 0 0 0 0 0 731 1.748 1.807 32.951 0 U -1.990e+05 0.00e+00 - 0 0 0 0 0 732 1.750 1.434 32.929 0 U -4.036e+03 0.00e+00 - 0 0 0 0 0 733 1.451 4.285 24.643 0 U -1.211e+03 0.00e+00 - 0 949 673 947 0 734 1.453 1.667 24.667 0 U -6.259e+03 0.00e+00 - 0 949 951 947 0 735 1.507 1.624 24.618 0 U -9.293e+03 0.00e+00 - 0 908 911 906 0 736 2.055 4.285 30.250 0 U -1.874e+03 0.00e+00 - 0 695 692 693 0 737 2.056 2.263 30.190 0 U -6.075e+03 0.00e+00 - 0 695 953 693 0 738 2.273 4.294 36.099 0 U -1.424e+03 0.00e+00 - 0 953 692 954 0 739 1.944 4.295 30.277 0 U -1.094e+03 0.00e+00 - 0 694 692 693 0 740 1.946 2.265 30.256 0 U -9.799e+03 0.00e+00 - 0 694 953 693 0 741 1.946 2.045 30.244 0 U -7.552e+04 0.00e+00 - 0 694 695 693 0 743 0.903 4.143 17.375 0 U -2.317e+03 0.00e+00 - 0 958 710 957 0 744 0.892 1.853 17.425 0 U -2.751e+03 0.00e+00 - 0 958 712 957 0 745 0.902 1.189 17.432 0 U -2.224e+03 0.00e+00 - 0 958 961 957 0 746 1.455 4.144 27.163 0 U -6.844e+02 0.00e+00 - 0 960 710 955 0 748 1.455 1.179 27.255 0 U -3.418e+04 0.00e+00 - 0 960 961 955 0 749 1.453 0.881 27.272 0 U -1.900e+03 0.00e+00 - 0 0 0 0 0 750 1.182 1.443 27.253 0 U -3.100e+04 0.00e+00 - 0 961 960 955 0 751 1.861 4.146 38.601 0 U -1.202e+03 0.00e+00 - 0 712 710 711 0 752 1.868 0.884 38.566 0 U -2.221e+03 0.00e+00 - 0 0 0 0 0 753 4.151 1.856 61.303 0 U 1.605e+03 0.00e+00 - 0 710 712 709 0 754 4.149 1.182 61.277 0 U 1.395e+03 0.00e+00 - 0 710 961 709 0 755 0.857 4.148 12.861 0 U -8.239e+02 0.00e+00 - 0 959 710 956 0 756 0.861 1.159 12.890 0 U -5.398e+03 0.00e+00 - 0 959 961 956 0 757 2.124 4.404 29.213 0 U -1.817e+03 0.00e+00 - 0 727 724 725 0 758 2.122 2.363 29.277 0 U -4.056e+03 0.00e+00 - 0 727 963 725 0 760 2.124 1.990 29.252 0 U -7.562e+04 0.00e+00 - 0 727 726 725 0 761 2.382 4.402 33.694 0 U -8.430e+02 0.00e+00 - 0 963 724 962 0 762 2.384 2.122 33.697 0 U -6.049e+03 0.00e+00 - 0 963 727 962 0 763 1.200 4.190 21.603 0 U -5.683e+03 0.00e+00 - 0 965 741 964 0 764 4.294 1.186 61.952 0 U 2.604e+03 0.00e+00 - 0 739 965 738 0 765 1.861 4.335 30.710 0 U -5.495e+03 0.00e+00 - 0 752 749 750 0 766 1.854 3.180 30.652 0 U -2.198e+03 0.00e+00 - 0 752 1067 750 0 767 1.861 1.763 30.729 0 U -2.028e+05 0.00e+00 - 0 752 751 750 0 768 1.859 1.625 30.720 0 U -4.537e+04 0.00e+00 - 0 0 0 0 0 769 1.585 4.336 26.988 0 U -1.900e+03 0.00e+00 - 0 0 0 0 0 770 1.584 3.179 26.977 0 U -5.943e+03 0.00e+00 - 0 0 0 0 0 771 1.645 1.619 26.970 0 U -5.236e+05 0.00e+00 - 0 0 0 0 0 772 3.190 4.327 43.284 0 U -1.743e+03 0.00e+00 - 0 0 0 0 0 773 3.191 1.763 43.294 0 U -6.150e+03 0.00e+00 - 0 1067 751 756 0 774 3.192 1.620 43.281 0 U -1.626e+04 0.00e+00 - 0 0 0 0 0 775 4.119 7.970 57.713 0 U 9.235e+02 0.00e+00 - 0 1029 812 1025 0 776 2.492 2.416 31.738 0 U -1.090e+05 0.00e+00 - 0 0 0 0 0 777 3.860 4.396 63.600 0 U 2.901e+03 0.00e+00 - 0 833 58 59 0 778 2.053 8.129 32.884 0 U -4.623e+02 0.00e+00 - 0 943 635 638 0 779 0.912 4.125 20.979 0 U -2.420e+03 0.00e+00 - 0 841 113 840 0 780 0.912 2.053 20.979 0 U -7.051e+03 0.00e+00 - 0 841 115 840 0 781 0.918 2.053 20.229 0 U -5.266e+03 0.00e+00 - 0 838 115 839 0 782 0.918 4.143 20.229 0 U -1.771e+03 0.00e+00 - 0 838 113 839 0 783 0.918 4.370 20.229 0 U -6.242e+02 0.00e+00 - 0 838 90 839 0 784 0.912 3.863 20.979 0 U -7.647e+02 0.00e+00 - 0 841 125 840 0 785 3.888 0.928 44.861 0 U -1.144e+03 0.00e+00 - 0 0 0 0 0 786 4.025 0.938 54.681 0 U 6.562e+02 0.00e+00 - 0 130 847 129 0 787 0.758 7.791 41.985 0 U -4.547e+02 0.00e+00 - 0 133 128 131 0 788 0.284 4.015 41.985 0 U -5.037e+02 0.00e+00 - 0 132 130 131 0 789 0.937 4.019 26.335 0 U -5.718e+02 0.00e+00 - 0 847 130 844 0 790 0.934 0.114 26.371 0 U -7.994e+02 0.00e+00 - 0 847 846 844 0 791 0.104 3.146 23.771 0 U -6.553e+02 0.00e+00 - 0 846 272 842 0 792 0.104 7.325 23.771 0 U -5.941e+02 0.00e+00 - 0 0 0 0 0 793 0.105 10.003 23.824 0 U -5.448e+02 0.00e+00 - 0 846 989 842 0 794 0.267 1.856 22.993 0 U -8.790e+02 0.00e+00 - 0 845 391 843 0 795 0.267 2.254 22.993 0 U -7.416e+02 0.00e+00 - 0 845 888 843 0 796 4.436 3.482 59.612 0 U 9.520e+02 0.00e+00 - 0 153 156 152 0 797 4.436 9.806 59.612 0 U 8.572e+02 0.00e+00 - 0 153 410 152 0 798 3.017 -0.072 31.135 0 U -6.080e+02 0.00e+00 - 0 0 0 0 0 799 2.990 -0.747 31.061 0 U -4.851e+02 0.00e+00 - 0 415 859 413 0 800 3.023 7.068 31.196 0 U -6.143e+02 0.00e+00 - 0 155 993 154 0 801 4.166 6.518 54.886 0 U 7.859e+02 0.00e+00 - 0 0 0 0 0 802 4.973 3.522 55.942 0 U 6.528e+02 0.00e+00 - 0 169 172 168 0 803 4.283 2.265 58.268 0 U 3.006e+03 0.00e+00 - 0 190 849 189 0 804 2.501 2.265 25.963 0 U -7.842e+03 0.00e+00 - 0 193 849 191 0 805 2.369 2.265 25.963 0 U -1.176e+04 0.00e+00 - 0 192 849 191 0 806 4.572 8.553 63.333 0 U 1.593e+03 0.00e+00 - 0 205 203 204 0 807 4.574 1.170 63.197 0 U 1.298e+03 0.00e+00 - 0 205 851 204 0 808 1.183 -0.771 21.965 0 U -8.029e+02 0.00e+00 - 0 851 859 850 0 809 1.183 6.334 21.965 0 U -6.764e+02 0.00e+00 - 0 851 997 850 0 810 1.183 9.814 21.965 0 U -7.457e+02 0.00e+00 - 0 851 410 850 0 811 1.183 8.164 21.965 0 U -8.509e+02 0.00e+00 - 0 0 0 0 0 812 1.183 5.090 21.965 0 U -5.860e+02 0.00e+00 - 0 851 215 850 0 813 5.105 8.198 61.205 0 U 1.108e+03 0.00e+00 - 0 215 213 214 0 815 4.006 7.922 70.586 0 U 6.271e+02 0.00e+00 - 0 227 233 226 0 816 4.473 7.921 60.102 0 U 8.472e+02 0.00e+00 - 0 856 233 816 0 817 4.473 -0.757 60.102 0 U 9.492e+02 0.00e+00 - 0 856 859 816 0 818 3.721 2.447 67.491 0 U 7.949e+02 0.00e+00 - 0 857 895 815 0 819 3.721 4.243 67.491 0 U 7.859e+02 0.00e+00 - 0 857 412 815 0 820 4.335 0.770 55.281 0 U 7.736e+02 0.00e+00 - 0 255 866 254 0 821 4.335 1.346 55.281 0 U 1.713e+03 0.00e+00 - 0 255 867 254 0 822 1.346 1.442 26.974 0 U -1.220e+04 0.00e+00 - 0 867 257 864 0 823 0.922 1.346 23.787 0 U -5.148e+03 0.00e+00 - 0 865 867 862 0 824 4.630 8.410 57.158 0 U 2.432e+03 0.00e+00 - 0 269 267 268 0 825 2.033 3.074 32.755 0 U -7.256e+02 0.00e+00 - 0 295 872 294 0 826 2.033 3.258 32.755 0 U -7.356e+02 0.00e+00 - 0 295 871 294 0 827 2.033 9.147 32.755 0 U -6.654e+02 0.00e+00 - 0 295 291 294 0 828 1.412 3.079 32.741 0 U -4.036e+02 0.00e+00 - 0 296 872 294 0 829 1.411 1.636 32.756 0 U -2.292e+03 0.00e+00 - 0 296 869 294 0 830 1.499 3.254 29.040 0 U -6.503e+02 0.00e+00 - 0 0 0 0 0 831 1.484 4.663 29.105 0 U -7.768e+02 0.00e+00 - 0 0 0 0 0 832 1.484 0.767 29.105 0 U -8.520e+02 0.00e+00 - 0 0 0 0 0 833 1.630 2.033 29.084 0 U -1.341e+03 0.00e+00 - 0 869 295 868 0 834 3.079 3.917 43.676 0 U -6.688e+02 0.00e+00 - 0 872 449 300 0 835 3.079 8.742 43.676 0 U -5.789e+02 0.00e+00 - 0 872 453 300 0 836 3.258 3.513 43.676 0 U -1.648e+03 0.00e+00 - 0 871 450 300 0 837 5.375 8.329 54.256 0 U 6.693e+02 0.00e+00 - 0 316 314 315 0 838 5.375 1.489 54.256 0 U 6.362e+02 0.00e+00 - 0 316 875 315 0 839 5.375 1.706 54.256 0 U 1.023e+03 0.00e+00 - 0 316 319 315 0 840 1.622 1.708 33.981 0 U -3.204e+04 0.00e+00 - 0 318 319 317 0 841 1.622 1.489 33.981 0 U -6.514e+03 0.00e+00 - 0 318 875 317 0 842 1.622 8.840 33.981 0 U -6.073e+02 0.00e+00 - 0 318 337 317 0 843 1.622 8.319 33.981 0 U -5.094e+02 0.00e+00 - 0 318 314 317 0 844 1.485 8.315 26.586 0 U -4.767e+02 0.00e+00 - 0 875 314 873 0 845 3.619 7.769 38.667 0 U -5.016e+02 0.00e+00 - 0 341 1049 340 0 846 4.322 2.346 56.619 0 U 2.539e+03 0.00e+00 - 0 358 879 357 0 847 2.236 2.346 29.207 0 U -6.841e+03 0.00e+00 - 0 360 879 359 0 848 4.271 1.626 45.254 0 U -7.396e+02 0.00e+00 - 0 0 0 0 0 849 5.010 2.225 62.722 0 U 1.164e+03 0.00e+00 - 0 388 888 387 0 851 4.998 3.798 62.766 0 U 6.653e+02 0.00e+00 - 0 388 890 387 0 852 2.246 7.372 27.536 0 U -6.262e+02 0.00e+00 - 0 888 142 886 0 853 3.799 1.885 50.240 0 U 3.518e+03 0.00e+00 - 0 0 0 0 0 854 5.731 0.746 58.865 0 U 8.231e+02 0.00e+00 - 0 401 893 400 0 855 5.741 3.032 58.759 0 U 6.028e+02 0.00e+00 - 0 401 155 400 0 856 5.741 6.315 58.759 0 U 6.006e+02 0.00e+00 - 0 401 997 400 0 857 1.155 4.419 23.062 0 U -6.403e+02 0.00e+00 - 0 894 153 892 0 858 1.161 3.148 23.025 0 U -6.933e+02 0.00e+00 - 0 894 896 892 0 859 1.156 3.610 23.030 0 U -6.978e+02 0.00e+00 - 0 894 341 892 0 860 0.749 3.106 19.162 0 U -8.269e+02 0.00e+00 - 0 0 0 0 0 861 0.750 8.854 19.158 0 U -6.463e+02 0.00e+00 - 0 893 337 891 0 862 0.750 9.130 19.158 0 U -5.936e+02 0.00e+00 - 0 893 291 891 0 863 0.751 9.812 19.112 0 U -5.945e+02 0.00e+00 - 0 893 410 891 0 864 4.077 9.264 57.626 0 U 6.924e+02 0.00e+00 - 0 0 0 0 0 865 1.514 2.707 18.382 0 U -5.590e+02 0.00e+00 - 0 435 423 434 0 866 1.514 2.888 18.382 0 U -6.172e+02 0.00e+00 - 0 435 1016 434 0 867 1.514 3.244 18.382 0 U -8.119e+02 0.00e+00 - 0 435 1017 434 0 868 4.014 7.843 65.467 0 U 6.532e+02 0.00e+00 - 0 0 0 0 0 869 3.146 9.812 28.909 0 U -6.473e+02 0.00e+00 - 0 896 410 441 0 870 0.849 6.911 24.783 0 U -6.493e+02 0.00e+00 - 0 901 976 898 0 871 0.857 8.729 24.871 0 U -6.030e+02 0.00e+00 - 0 0 0 0 0 872 0.837 1.952 23.072 0 U -9.666e+02 0.00e+00 - 0 0 0 0 0 873 0.838 1.773 23.072 0 U -2.122e+03 0.00e+00 - 0 900 457 897 0 874 3.208 2.877 39.741 0 U -1.120e+03 0.00e+00 - 0 471 1016 470 0 875 4.535 2.424 57.676 0 U 1.652e+03 0.00e+00 - 0 488 904 487 0 876 4.524 2.053 57.672 0 U 6.521e+02 0.00e+00 - 0 488 1001 487 0 877 4.530 2.793 57.682 0 U 8.361e+02 0.00e+00 - 0 488 905 487 0 878 2.242 7.837 31.780 0 U -9.996e+02 0.00e+00 - 0 0 0 0 0 879 2.219 2.803 31.780 0 U -1.505e+03 0.00e+00 - 0 491 905 489 0 880 2.242 2.803 31.780 0 U -1.878e+03 0.00e+00 - 0 490 905 489 0 881 2.434 4.532 32.230 0 U -6.202e+02 0.00e+00 - 0 904 488 903 0 882 2.044 7.353 17.383 0 U -5.711e+02 0.00e+00 - 0 0 0 0 0 883 2.044 3.919 17.383 0 U -7.343e+02 0.00e+00 - 0 1001 550 1002 0 884 1.416 2.964 24.600 0 U -8.298e+02 0.00e+00 - 0 0 0 0 0 885 4.030 1.165 56.779 0 U 1.049e+03 0.00e+00 - 0 520 920 519 0 886 1.300 1.165 42.406 0 U -7.692e+03 0.00e+00 - 0 916 920 521 0 887 0.720 7.776 24.048 0 U -6.704e+02 0.00e+00 - 0 919 518 914 0 888 2.683 5.524 31.970 0 U -5.605e+02 0.00e+00 - 0 921 998 535 0 889 3.079 7.371 31.961 0 U -1.024e+03 0.00e+00 - 0 0 0 0 0 890 1.027 4.178 22.080 0 U -6.955e+02 0.00e+00 - 0 1007 551 1005 0 891 1.924 4.615 27.593 0 U -5.950e+02 0.00e+00 - 0 927 567 924 0 892 1.922 1.741 27.596 0 U -6.306e+03 0.00e+00 - 0 927 928 924 0 893 3.756 0.906 50.352 0 U 8.436e+02 0.00e+00 - 0 930 1006 925 0 894 3.639 1.922 50.352 0 U 1.477e+03 0.00e+00 - 0 1008 927 925 0 895 3.756 1.741 50.352 0 U 1.141e+03 0.00e+00 - 0 930 928 925 0 896 3.132 6.593 54.455 0 U 9.009e+02 0.00e+00 - 0 1010 985 28 0 897 3.124 8.737 54.482 0 U 6.984e+02 0.00e+00 - 0 1010 27 28 0 898 1.147 1.247 32.836 0 U -2.703e+03 0.00e+00 - 0 1009 1013 30 0 899 1.687 1.247 32.836 0 U -2.182e+03 0.00e+00 - 0 1015 1013 30 0 900 1.135 2.886 32.837 0 U -6.393e+02 0.00e+00 - 0 0 0 0 0 901 1.687 2.881 32.836 0 U -6.321e+02 0.00e+00 - 0 0 0 0 0 902 0.788 1.147 27.210 0 U -1.575e+03 0.00e+00 - 0 1014 1009 1011 0 903 0.797 3.141 27.206 0 U -1.073e+03 0.00e+00 - 0 1014 1010 1011 0 904 2.881 1.147 43.940 0 U -1.073e+03 0.00e+00 - 0 1016 1009 1012 0 905 3.262 1.147 43.910 0 U -1.202e+03 0.00e+00 - 0 1017 1009 1012 0 906 2.242 2.434 31.780 0 U -2.312e+03 0.00e+00 - 0 490 904 489 0 907 2.219 2.434 31.780 0 U -2.981e+03 0.00e+00 - 0 491 904 489 0 908 2.194 8.287 32.058 0 U -7.637e+02 0.00e+00 - 0 605 614 604 0 909 1.776 8.276 31.891 0 U -6.222e+02 0.00e+00 - 0 606 614 604 0 910 2.905 1.776 51.764 0 U 9.004e+02 0.00e+00 - 0 936 606 933 0 911 3.636 7.329 51.760 0 U 7.407e+02 0.00e+00 - 0 935 983 933 0 912 3.642 4.288 51.737 0 U 5.743e+02 0.00e+00 - 0 935 603 933 0 913 4.279 1.592 54.535 0 U 2.779e+03 0.00e+00 - 0 616 619 615 0 914 0.870 4.279 25.195 0 U -6.794e+02 0.00e+00 - 0 941 616 938 0 915 0.870 2.439 25.195 0 U -8.099e+02 0.00e+00 - 0 941 184 938 0 916 0.870 3.275 25.195 0 U -8.300e+02 0.00e+00 - 0 941 183 938 0 917 0.870 1.512 25.195 0 U -1.457e+03 0.00e+00 - 0 941 618 938 0 918 0.870 1.592 25.195 0 U -2.728e+03 0.00e+00 - 0 941 619 938 0 919 0.870 7.602 25.195 0 U -6.553e+02 0.00e+00 - 0 941 970 938 0 920 0.724 7.607 23.014 0 U -6.864e+02 0.00e+00 - 0 940 970 937 0 921 1.675 4.279 26.725 0 U -1.261e+03 0.00e+00 - 0 942 616 939 0 922 4.414 8.234 55.392 0 U 6.581e+02 0.00e+00 - 0 637 648 636 0 923 2.048 8.140 32.700 0 U -1.866e+02 0.00e+00 - 0 943 635 638 0 924 4.302 8.525 56.547 0 U 8.530e+02 0.00e+00 - 0 0 0 0 0 925 1.952 9.584 30.247 0 U -5.867e+02 0.00e+00 - 0 0 0 0 0 926 4.149 0.892 61.280 0 U 2.290e+03 0.00e+00 - 0 0 0 0 0 927 1.858 1.454 38.550 0 U -1.335e+03 0.00e+00 - 0 712 960 711 0 928 1.454 1.847 27.256 0 U -7.366e+02 0.00e+00 - 0 960 712 955 0 929 0.902 1.450 17.405 0 U -6.051e+02 0.00e+00 - 0 958 960 957 0 930 4.197 1.196 69.586 0 U 4.231e+03 0.00e+00 - 0 741 965 740 0 931 4.197 4.308 69.586 0 U 1.024e+04 0.00e+00 - 0 741 739 740 0 932 1.196 4.296 21.626 0 U -2.905e+03 0.00e+00 - 0 965 739 964 0 933 1.794 4.119 33.490 0 U -8.730e+02 0.00e+00 - 0 1040 1029 1026 0 934 1.794 1.399 33.490 0 U -3.127e+03 0.00e+00 - 0 1040 1043 1026 0 935 1.684 4.046 29.022 0 U -6.969e+02 0.00e+00 - 0 1062 501 907 0 936 4.350 8.129 55.927 0 U 1.401e+03 0.00e+00 - 0 749 770 748 0 938 0.850 4.138 24.821 0 U -1.085e+03 0.00e+00 - 0 901 433 898 0 939 2.044 2.803 17.383 0 U -1.928e+03 0.00e+00 - 0 1001 905 1002 0 940 4.640 4.267 57.090 0 U 1.384e+03 0.00e+00 - 0 269 412 268 0 941 4.411 2.122 55.731 0 U 2.156e+03 0.00e+00 - 0 724 727 723 0 942 4.411 2.006 55.731 0 U 2.075e+03 0.00e+00 - 0 0 0 0 0 943 3.010 -0.755 31.148 0 U -3.415e+02 0.00e+00 - 0 0 0 0 0 944 0.859 1.863 12.996 0 U -1.083e+03 0.00e+00 - 0 959 712 956 0 945 4.436 6.317 59.612 0 U 1.348e+03 0.00e+00 - 0 153 997 152 0 946 4.436 1.443 59.544 0 U 8.743e+02 0.00e+00 - 0 153 164 152 0 948 3.801 4.996 50.257 0 U 5.942e+02 0.00e+00 - 0 890 388 887 0 949 2.256 1.443 36.004 0 U -5.441e+02 0.00e+00 - 0 884 164 883 0 950 5.005 0.741 62.680 0 U 7.316e+02 0.00e+00 - 0 388 893 387 0 951 3.211 1.678 39.645 0 U -6.059e+02 0.00e+00 - 0 471 1015 470 0 952 1.701 3.209 32.844 0 U -7.551e+02 0.00e+00 - 0 1015 471 30 0 953 4.289 7.710 45.405 0 U -6.202e+02 0.00e+00 - 0 370 356 369 0 954 3.629 1.235 51.710 0 U 6.099e+02 0.00e+00 - 0 935 1013 933 0 955 2.042 7.476 29.080 0 U -6.232e+02 0.00e+00 - 0 882 971 377 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 H 1 all . 9000.9 . . . 19312 2 2 H 1 all . 9000.9 . . . 19312 2 3 C 13 cali . 7204 . . . 19312 2 stop_ save_ save_caro.peaks _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode caro.peaks _Spectral_peak_list.Entry_ID 19312 _Spectral_peak_list.ID 3 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $hr4783b.009 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 7 _Spectral_peak_list.Experiment_name '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 #INAME 1 H1 #INAME 2 H1 #INAME 3 C13 #CYANAFORMAT HhC 1 7.053 9.987 114.477 0 U -1.618e+03 0.00e+00 - 0 991 989 992 0 2 7.051 5.096 114.440 0 U -1.562e+03 0.00e+00 - 0 991 215 992 0 3 7.053 0.752 114.486 0 U -7.426e+02 0.00e+00 - 0 991 133 992 0 4 7.179 9.988 126.699 0 U 6.902e+03 0.00e+00 - 0 987 989 988 0 5 7.179 8.405 126.653 0 U 2.046e+03 0.00e+00 - 0 987 267 988 0 6 7.178 3.131 126.764 0 U 1.449e+03 0.00e+00 - 0 987 272 988 0 7 7.180 3.019 126.708 0 U 2.919e+03 0.00e+00 - 0 987 271 988 0 8 7.179 0.101 126.743 0 U 7.527e+02 0.00e+00 - 0 987 846 988 0 9 7.186 -0.775 126.599 0 U 8.341e+02 0.00e+00 - 0 987 859 988 0 10 7.071 8.837 123.403 0 U -1.863e+03 0.00e+00 - 0 993 151 994 0 11 7.070 6.318 123.479 0 U -1.693e+03 0.00e+00 - 0 993 997 994 0 12 7.069 5.013 123.449 0 U -2.171e+03 0.00e+00 - 0 993 144 994 0 13 7.073 1.175 123.419 0 U -1.253e+03 0.00e+00 - 0 993 851 994 0 14 6.319 7.057 119.282 0 U -1.504e+03 0.00e+00 - 0 997 993 1000 0 15 6.314 4.437 119.303 0 U -1.271e+03 0.00e+00 - 0 997 153 1000 0 16 6.318 3.026 119.182 0 U -1.015e+03 0.00e+00 - 0 997 155 1000 0 17 7.296 9.129 120.033 0 U -9.256e+02 0.00e+00 - 0 995 291 996 0 18 7.295 8.503 120.108 0 U -9.625e+02 0.00e+00 - 0 995 399 996 0 19 7.296 4.637 119.994 0 U -1.620e+03 0.00e+00 - 0 995 269 996 0 20 7.294 3.139 120.179 0 U -1.567e+03 0.00e+00 - 0 995 272 996 0 21 7.296 3.023 119.986 0 U -7.239e+02 0.00e+00 - 0 995 271 996 0 22 7.305 1.878 120.110 0 U -7.655e+02 0.00e+00 - 0 995 391 996 0 23 7.295 1.785 120.300 0 U -7.245e+02 0.00e+00 - 0 995 390 996 0 24 7.326 7.833 133.845 0 U 2.245e+03 0.00e+00 - 0 0 0 0 0 25 7.327 6.596 133.816 0 U 1.208e+04 0.00e+00 - 0 983 985 984 0 26 7.326 5.520 133.816 0 U 1.061e+03 0.00e+00 - 0 983 998 984 0 27 7.325 4.530 133.882 0 U 1.292e+03 0.00e+00 - 0 983 488 984 0 28 7.329 4.070 133.838 0 U 1.909e+03 0.00e+00 - 0 983 469 984 0 29 7.327 3.202 133.821 0 U 1.072e+04 0.00e+00 - 0 983 471 984 0 30 7.328 2.885 133.867 0 U 1.398e+03 0.00e+00 - 0 983 1016 984 0 31 7.324 1.232 133.676 0 U 8.713e+02 0.00e+00 - 0 983 1013 984 0 32 7.329 0.897 133.800 0 U 1.231e+03 0.00e+00 - 0 0 0 0 0 33 7.330 0.772 133.857 0 U 9.425e+02 0.00e+00 - 0 983 1014 984 0 34 6.602 7.320 118.549 0 U -1.479e+04 0.00e+00 - 0 985 983 986 0 35 6.604 3.634 118.558 0 U -1.846e+03 0.00e+00 - 0 985 935 986 0 36 6.604 3.119 118.513 0 U -1.827e+03 0.00e+00 - 0 985 1010 986 0 37 6.603 2.891 118.521 0 U -1.313e+03 0.00e+00 - 0 0 0 0 0 38 6.601 2.684 118.554 0 U -1.124e+03 0.00e+00 - 0 985 921 986 0 39 6.602 0.903 118.551 0 U -8.110e+03 0.00e+00 - 0 985 1006 986 0 40 6.608 0.769 118.497 0 U -8.216e+02 0.00e+00 - 0 0 0 0 0 41 7.058 -0.785 114.466 0 U -6.016e+02 0.00e+00 - 0 991 859 992 0 42 7.053 6.318 114.469 0 U -8.259e+02 0.00e+00 - 0 991 997 992 0 43 7.053 5.012 114.469 0 U -8.413e+02 0.00e+00 - 0 991 144 992 0 44 7.053 8.844 114.469 0 U -5.044e+02 0.00e+00 - 0 991 151 992 0 45 7.071 5.091 123.425 0 U -2.108e+03 0.00e+00 - 0 993 215 994 0 46 7.058 3.472 123.367 0 U -6.995e+02 0.00e+00 - 0 0 0 0 0 47 7.327 2.679 133.838 0 U 6.021e+02 0.00e+00 - 0 983 921 984 0 48 7.327 4.601 133.838 0 U 7.358e+02 0.00e+00 - 0 983 567 984 0 49 7.335 8.761 133.748 0 U 8.291e+02 0.00e+00 - 0 983 27 984 0 50 6.603 3.208 118.521 0 U -1.101e+03 0.00e+00 - 0 985 471 986 0 51 5.524 4.079 120.819 0 U -7.266e+02 0.00e+00 - 0 998 468 999 0 52 7.629 0.659 137.907 0 U 4.972e+02 0.00e+00 - 0 1079 918 1081 0 53 7.633 0.725 137.907 0 U 5.086e+02 0.00e+00 - 0 1079 919 1081 0 54 5.519 8.354 120.998 0 U -6.343e+02 0.00e+00 - 0 998 532 999 0 55 5.521 7.304 120.925 0 U -5.519e+02 0.00e+00 - 0 998 983 999 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 H 1 all . 9000.9 . . . 19312 3 2 H 1 all . 9000.9 . . . 19312 3 3 C 13 caro . 7204 . . . 19312 3 stop_ save_