data_34187 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34187 _Entry.Title ; Structure and dynamics conspire in the evolution of affinity between intrinsically disordered proteins ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-10-19 _Entry.Accession_date 2017-10-19 _Entry.Last_release_date 2019-03-19 _Entry.Original_release_date 2019-03-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34187 stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 N. Chi N. C. . . 34187 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CID . 34187 Complex . 34187 'DNA BINDING PROTEIN' . 34187 IDP . 34187 NCBD . 34187 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34187 spectral_peak_list 4 34187 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 233 34187 '15N chemical shifts' 93 34187 '1H chemical shifts' 604 34187 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-08-20 2017-10-19 update BMRB 'update entry citation' 34187 1 . . 2019-03-21 2017-10-19 original author 'original release' 34187 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6ES5 . 34187 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34187 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30397651 _Citation.Full_citation . _Citation.Title ; Structure and dynamics conspire in the evolution of affinity between intrinsically disordered proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Adv.' _Citation.Journal_name_full 'Science advances' _Citation.Journal_volume 4 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2375-2548 _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first eaau4130 _Citation.Page_last eaau4130 _Citation.Year 2018 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Per Jemth P. . . . 34187 1 2 Elin Karlsson E. . . . 34187 1 3 Beat Vogeli B. . . . 34187 1 4 Brenda Guzovsky B. . . . 34187 1 5 Eva Andersson E. . . . 34187 1 6 Greta Hultqvist G. . . . 34187 1 7 Jakob Dogan J. . . . 34187 1 8 Peter Guntert P. . . . 34187 1 9 Roland Riek R. . . . 34187 1 10 Celestine Chi C. N. . . 34187 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34187 _Assembly.ID 1 _Assembly.Name 'CID, NCBD' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34187 1 2 entity_2 2 $entity_2 B B yes . . . . . . 34187 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34187 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSESQNDEKALLDQLDSLLS STDEMELAEIDRALGIDKLV SQQGG ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 45 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4823.197 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1038 GLY . 34187 1 2 1039 SER . 34187 1 3 1040 GLU . 34187 1 4 1041 SER . 34187 1 5 1042 GLN . 34187 1 6 1043 ASN . 34187 1 7 1044 ASP . 34187 1 8 1045 GLU . 34187 1 9 1046 LYS . 34187 1 10 1047 ALA . 34187 1 11 1048 LEU . 34187 1 12 1049 LEU . 34187 1 13 1050 ASP . 34187 1 14 1051 GLN . 34187 1 15 1052 LEU . 34187 1 16 1053 ASP . 34187 1 17 1054 SER . 34187 1 18 1055 LEU . 34187 1 19 1056 LEU . 34187 1 20 1057 SER . 34187 1 21 1058 SER . 34187 1 22 1059 THR . 34187 1 23 1060 ASP . 34187 1 24 1061 GLU . 34187 1 25 1062 MET . 34187 1 26 1063 GLU . 34187 1 27 1064 LEU . 34187 1 28 1065 ALA . 34187 1 29 1066 GLU . 34187 1 30 1067 ILE . 34187 1 31 1068 ASP . 34187 1 32 1069 ARG . 34187 1 33 1070 ALA . 34187 1 34 1071 LEU . 34187 1 35 1072 GLY . 34187 1 36 1073 ILE . 34187 1 37 1074 ASP . 34187 1 38 1075 LYS . 34187 1 39 1076 LEU . 34187 1 40 1077 VAL . 34187 1 41 1078 SER . 34187 1 42 1079 GLN . 34187 1 43 1080 GLN . 34187 1 44 1081 GLY . 34187 1 45 1082 GLY . 34187 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 34187 1 . SER 2 2 34187 1 . GLU 3 3 34187 1 . SER 4 4 34187 1 . GLN 5 5 34187 1 . ASN 6 6 34187 1 . ASP 7 7 34187 1 . GLU 8 8 34187 1 . LYS 9 9 34187 1 . ALA 10 10 34187 1 . LEU 11 11 34187 1 . LEU 12 12 34187 1 . ASP 13 13 34187 1 . GLN 14 14 34187 1 . LEU 15 15 34187 1 . ASP 16 16 34187 1 . SER 17 17 34187 1 . LEU 18 18 34187 1 . LEU 19 19 34187 1 . SER 20 20 34187 1 . SER 21 21 34187 1 . THR 22 22 34187 1 . ASP 23 23 34187 1 . GLU 24 24 34187 1 . MET 25 25 34187 1 . GLU 26 26 34187 1 . LEU 27 27 34187 1 . ALA 28 28 34187 1 . GLU 29 29 34187 1 . ILE 30 30 34187 1 . ASP 31 31 34187 1 . ARG 32 32 34187 1 . ALA 33 33 34187 1 . LEU 34 34 34187 1 . GLY 35 35 34187 1 . ILE 36 36 34187 1 . ASP 37 37 34187 1 . LYS 38 38 34187 1 . LEU 39 39 34187 1 . VAL 40 40 34187 1 . SER 41 41 34187 1 . GLN 42 42 34187 1 . GLN 43 43 34187 1 . GLY 44 44 34187 1 . GLY 45 45 34187 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 34187 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSTPPQALQQLLQTLKSPSS PQQQQQVLQILKSNPQLMAA FIKQRSQHQQ ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 50 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5613.384 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 2060 GLY . 34187 2 2 2061 SER . 34187 2 3 2062 THR . 34187 2 4 2063 PRO . 34187 2 5 2064 PRO . 34187 2 6 2065 GLN . 34187 2 7 2066 ALA . 34187 2 8 2067 LEU . 34187 2 9 2068 GLN . 34187 2 10 2069 GLN . 34187 2 11 2070 LEU . 34187 2 12 2071 LEU . 34187 2 13 2072 GLN . 34187 2 14 2073 THR . 34187 2 15 2074 LEU . 34187 2 16 2075 LYS . 34187 2 17 2076 SER . 34187 2 18 2077 PRO . 34187 2 19 2078 SER . 34187 2 20 2079 SER . 34187 2 21 2080 PRO . 34187 2 22 2081 GLN . 34187 2 23 2082 GLN . 34187 2 24 2083 GLN . 34187 2 25 2084 GLN . 34187 2 26 2085 GLN . 34187 2 27 2086 VAL . 34187 2 28 2087 LEU . 34187 2 29 2088 GLN . 34187 2 30 2089 ILE . 34187 2 31 2090 LEU . 34187 2 32 2091 LYS . 34187 2 33 2092 SER . 34187 2 34 2093 ASN . 34187 2 35 2094 PRO . 34187 2 36 2095 GLN . 34187 2 37 2096 LEU . 34187 2 38 2097 MET . 34187 2 39 2098 ALA . 34187 2 40 2099 ALA . 34187 2 41 2100 PHE . 34187 2 42 2101 ILE . 34187 2 43 2102 LYS . 34187 2 44 2103 GLN . 34187 2 45 2104 ARG . 34187 2 46 2105 SER . 34187 2 47 2106 GLN . 34187 2 48 2107 HIS . 34187 2 49 2108 GLN . 34187 2 50 2109 GLN . 34187 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 34187 2 . SER 2 2 34187 2 . THR 3 3 34187 2 . PRO 4 4 34187 2 . PRO 5 5 34187 2 . GLN 6 6 34187 2 . ALA 7 7 34187 2 . LEU 8 8 34187 2 . GLN 9 9 34187 2 . GLN 10 10 34187 2 . LEU 11 11 34187 2 . LEU 12 12 34187 2 . GLN 13 13 34187 2 . THR 14 14 34187 2 . LEU 15 15 34187 2 . LYS 16 16 34187 2 . SER 17 17 34187 2 . PRO 18 18 34187 2 . SER 19 19 34187 2 . SER 20 20 34187 2 . PRO 21 21 34187 2 . GLN 22 22 34187 2 . GLN 23 23 34187 2 . GLN 24 24 34187 2 . GLN 25 25 34187 2 . GLN 26 26 34187 2 . VAL 27 27 34187 2 . LEU 28 28 34187 2 . GLN 29 29 34187 2 . ILE 30 30 34187 2 . LEU 31 31 34187 2 . LYS 32 32 34187 2 . SER 33 33 34187 2 . ASN 34 34 34187 2 . PRO 35 35 34187 2 . GLN 36 36 34187 2 . LEU 37 37 34187 2 . MET 38 38 34187 2 . ALA 39 39 34187 2 . ALA 40 40 34187 2 . PHE 41 41 34187 2 . ILE 42 42 34187 2 . LYS 43 43 34187 2 . GLN 44 44 34187 2 . ARG 45 45 34187 2 . SER 46 46 34187 2 . GLN 47 47 34187 2 . HIS 48 48 34187 2 . GLN 49 49 34187 2 . GLN 50 50 34187 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 34187 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 34187 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 34187 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 34187 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34187 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34187 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34187 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '100 uM [U-100% 13C] 13C, 100 uM [U-100% 15N] 15N, 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 entity_1 '[U-100% 13C]' . . 1 $entity_1 . . 100 . . uM . . . . 34187 1 2 entity_2 '[U-100% 15N]' . . 2 $entity_2 . . 100 . . uM . . . . 34187 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34187 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 34187 1 pH 6.5 . pH 34187 1 pressure 1 . Pa 34187 1 temperature 298 . K 34187 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34187 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert P.' . . 34187 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34187 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34187 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34187 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34187 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 34187 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 600 . . . 34187 1 2 NMR_spectrometer_2 Bruker AvanceII . 700 . . . 34187 1 3 NMR_spectrometer_3 Bruker AvanceII . 900 . . . 34187 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 34187 _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 TROSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34187 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34187 1 3 '3D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34187 1 4 'Filtered NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34187 1 5 3JHNHA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34187 1 6 3JHNHA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34187 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34187 1 8 'T1, T2, NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34187 1 9 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34187 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34187 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 '[15N] ammonium chloride' protons . . . . ppm 40 internal direct 0.2 . . . . . 34187 1 H 1 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . 34187 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34187 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 TROSY . . . 34187 1 2 '3D HNCACB' . . . 34187 1 3 '3D 1H-1H NOESY' . . . 34187 1 4 'Filtered NOESY' . . . 34187 1 5 3JHNHA . . . 34187 1 6 3JHNHA . . . 34187 1 7 '3D HNCO' . . . 34187 1 8 'T1, T2, NOE' . . . 34187 1 9 '3D HNCACB' . . . 34187 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER CA C 13 58.557 0 . . . . . . A 1039 SER CA . 34187 1 2 . 1 1 2 2 SER CB C 13 63.808 0 . . . . . . A 1039 SER CB . 34187 1 3 . 1 1 3 3 GLU H H 1 8.872 0.002 . . . . . . A 1040 GLU H . 34187 1 4 . 1 1 3 3 GLU HA H 1 4.339 0.005 . . . . . . A 1040 GLU HA . 34187 1 5 . 1 1 3 3 GLU HB2 H 1 2.005 0.006 . . . . . . A 1040 GLU HB2 . 34187 1 6 . 1 1 3 3 GLU HB3 H 1 2.13 0.007 . . . . . . A 1040 GLU HB3 . 34187 1 7 . 1 1 3 3 GLU HG2 H 1 2.381 0.005 . . . . . . A 1040 GLU HG2 . 34187 1 8 . 1 1 3 3 GLU HG3 H 1 2.381 0.005 . . . . . . A 1040 GLU HG3 . 34187 1 9 . 1 1 3 3 GLU CA C 13 57.354 0.019 . . . . . . A 1040 GLU CA . 34187 1 10 . 1 1 3 3 GLU CB C 13 29.803 0.038 . . . . . . A 1040 GLU CB . 34187 1 11 . 1 1 3 3 GLU CG C 13 33.822 0.041 . . . . . . A 1040 GLU CG . 34187 1 12 . 1 1 3 3 GLU N N 15 122.966 0.002 . . . . . . A 1040 GLU N . 34187 1 13 . 1 1 4 4 SER H H 1 8.35 0.004 . . . . . . A 1041 SER H . 34187 1 14 . 1 1 4 4 SER HA H 1 4.443 0.007 . . . . . . A 1041 SER HA . 34187 1 15 . 1 1 4 4 SER HB2 H 1 3.913 0.016 . . . . . . A 1041 SER HB2 . 34187 1 16 . 1 1 4 4 SER HB3 H 1 3.92 0.017 . . . . . . A 1041 SER HB3 . 34187 1 17 . 1 1 4 4 SER HG H 1 4.388 0 . . . . . . A 1041 SER HG . 34187 1 18 . 1 1 4 4 SER CA C 13 58.754 0.034 . . . . . . A 1041 SER CA . 34187 1 19 . 1 1 4 4 SER CB C 13 63.808 0.003 . . . . . . A 1041 SER CB . 34187 1 20 . 1 1 4 4 SER N N 15 116.417 0.007 . . . . . . A 1041 SER N . 34187 1 21 . 1 1 5 5 GLN H H 1 8.382 0.004 . . . . . . A 1042 GLN H . 34187 1 22 . 1 1 5 5 GLN HA H 1 4.357 0 . . . . . . A 1042 GLN HA . 34187 1 23 . 1 1 5 5 GLN HB2 H 1 2.149 0 . . . . . . A 1042 GLN HB2 . 34187 1 24 . 1 1 5 5 GLN HB3 H 1 2.001 0 . . . . . . A 1042 GLN HB3 . 34187 1 25 . 1 1 5 5 GLN HG2 H 1 2.368 0 . . . . . . A 1042 GLN HG2 . 34187 1 26 . 1 1 5 5 GLN HG3 H 1 2.368 0 . . . . . . A 1042 GLN HG3 . 34187 1 27 . 1 1 5 5 GLN CA C 13 56.404 0 . . . . . . A 1042 GLN CA . 34187 1 28 . 1 1 5 5 GLN CB C 13 29.189 0 . . . . . . A 1042 GLN CB . 34187 1 29 . 1 1 5 5 GLN N N 15 122.015 0.037 . . . . . . A 1042 GLN N . 34187 1 30 . 1 1 6 6 ASN H H 1 8.382 0 . . . . . . A 1043 ASN H . 34187 1 31 . 1 1 6 6 ASN HA H 1 4.689 0.004 . . . . . . A 1043 ASN HA . 34187 1 32 . 1 1 6 6 ASN HB2 H 1 2.838 0.001 . . . . . . A 1043 ASN HB2 . 34187 1 33 . 1 1 6 6 ASN HB3 H 1 2.785 0.002 . . . . . . A 1043 ASN HB3 . 34187 1 34 . 1 1 6 6 ASN CA C 13 53.662 0.021 . . . . . . A 1043 ASN CA . 34187 1 35 . 1 1 6 6 ASN CB C 13 38.927 0.024 . . . . . . A 1043 ASN CB . 34187 1 36 . 1 1 6 6 ASN N N 15 119.359 0 . . . . . . A 1043 ASN N . 34187 1 37 . 1 1 7 7 ASP H H 1 8.251 0.008 . . . . . . A 1044 ASP H . 34187 1 38 . 1 1 7 7 ASP HA H 1 4.562 0.001 . . . . . . A 1044 ASP HA . 34187 1 39 . 1 1 7 7 ASP HB2 H 1 2.74 0.01 . . . . . . A 1044 ASP HB2 . 34187 1 40 . 1 1 7 7 ASP HB3 H 1 2.74 0.01 . . . . . . A 1044 ASP HB3 . 34187 1 41 . 1 1 7 7 ASP CA C 13 55.02 0.078 . . . . . . A 1044 ASP CA . 34187 1 42 . 1 1 7 7 ASP CB C 13 41.117 0 . . . . . . A 1044 ASP CB . 34187 1 43 . 1 1 7 7 ASP N N 15 121.288 0.031 . . . . . . A 1044 ASP N . 34187 1 44 . 1 1 8 8 GLU H H 1 8.452 0.01 . . . . . . A 1045 GLU H . 34187 1 45 . 1 1 8 8 GLU HB2 H 1 2.088 0.001 . . . . . . A 1045 GLU HB2 . 34187 1 46 . 1 1 8 8 GLU HB3 H 1 2.088 0.001 . . . . . . A 1045 GLU HB3 . 34187 1 47 . 1 1 8 8 GLU HG2 H 1 2.235 0 . . . . . . A 1045 GLU HG2 . 34187 1 48 . 1 1 8 8 GLU HG3 H 1 2.235 0 . . . . . . A 1045 GLU HG3 . 34187 1 49 . 1 1 8 8 GLU CA C 13 59.289 0 . . . . . . A 1045 GLU CA . 34187 1 50 . 1 1 8 8 GLU CB C 13 29.827 0 . . . . . . A 1045 GLU CB . 34187 1 51 . 1 1 8 8 GLU N N 15 121.753 0.009 . . . . . . A 1045 GLU N . 34187 1 52 . 1 1 9 9 LYS H H 1 8.079 0.007 . . . . . . A 1046 LYS H . 34187 1 53 . 1 1 9 9 LYS HA H 1 3.99 0.009 . . . . . . A 1046 LYS HA . 34187 1 54 . 1 1 9 9 LYS HB2 H 1 1.89 0.008 . . . . . . A 1046 LYS HB2 . 34187 1 55 . 1 1 9 9 LYS HB3 H 1 1.89 0.008 . . . . . . A 1046 LYS HB3 . 34187 1 56 . 1 1 9 9 LYS HG2 H 1 1.474 0.012 . . . . . . A 1046 LYS HG2 . 34187 1 57 . 1 1 9 9 LYS HG3 H 1 1.471 0.012 . . . . . . A 1046 LYS HG3 . 34187 1 58 . 1 1 9 9 LYS HD2 H 1 1.747 0.012 . . . . . . A 1046 LYS HD2 . 34187 1 59 . 1 1 9 9 LYS HD3 H 1 1.649 0.007 . . . . . . A 1046 LYS HD3 . 34187 1 60 . 1 1 9 9 LYS HE2 H 1 3.017 0.008 . . . . . . A 1046 LYS HE2 . 34187 1 61 . 1 1 9 9 LYS HE3 H 1 3.017 0.008 . . . . . . A 1046 LYS HE3 . 34187 1 62 . 1 1 9 9 LYS CA C 13 59.371 0.06 . . . . . . A 1046 LYS CA . 34187 1 63 . 1 1 9 9 LYS CB C 13 32.204 0.054 . . . . . . A 1046 LYS CB . 34187 1 64 . 1 1 9 9 LYS CG C 13 24.919 0.036 . . . . . . A 1046 LYS CG . 34187 1 65 . 1 1 9 9 LYS CD C 13 28.902 0.037 . . . . . . A 1046 LYS CD . 34187 1 66 . 1 1 9 9 LYS CE C 13 42.387 0.063 . . . . . . A 1046 LYS CE . 34187 1 67 . 1 1 9 9 LYS N N 15 119.92 0.032 . . . . . . A 1046 LYS N . 34187 1 68 . 1 1 10 10 ALA H H 1 7.933 0.01 . . . . . . A 1047 ALA H . 34187 1 69 . 1 1 10 10 ALA HA H 1 4.211 0.003 . . . . . . A 1047 ALA HA . 34187 1 70 . 1 1 10 10 ALA HB1 H 1 1.489 0.011 . . . . . . A 1047 ALA HB1 . 34187 1 71 . 1 1 10 10 ALA HB2 H 1 1.489 0.011 . . . . . . A 1047 ALA HB2 . 34187 1 72 . 1 1 10 10 ALA HB3 H 1 1.489 0.011 . . . . . . A 1047 ALA HB3 . 34187 1 73 . 1 1 10 10 ALA CA C 13 54.889 0.029 . . . . . . A 1047 ALA CA . 34187 1 74 . 1 1 10 10 ALA CB C 13 18.176 0.015 . . . . . . A 1047 ALA CB . 34187 1 75 . 1 1 10 10 ALA N N 15 121.065 0.017 . . . . . . A 1047 ALA N . 34187 1 76 . 1 1 11 11 LEU H H 1 7.873 0.017 . . . . . . A 1048 LEU H . 34187 1 77 . 1 1 11 11 LEU HA H 1 4.102 0.005 . . . . . . A 1048 LEU HA . 34187 1 78 . 1 1 11 11 LEU HB2 H 1 1.865 0 . . . . . . A 1048 LEU HB2 . 34187 1 79 . 1 1 11 11 LEU HB3 H 1 1.685 0 . . . . . . A 1048 LEU HB3 . 34187 1 80 . 1 1 11 11 LEU HG H 1 1.504 0 . . . . . . A 1048 LEU HG . 34187 1 81 . 1 1 11 11 LEU HD11 H 1 0.847 0 . . . . . . A 1048 LEU HD11 . 34187 1 82 . 1 1 11 11 LEU HD12 H 1 0.847 0 . . . . . . A 1048 LEU HD12 . 34187 1 83 . 1 1 11 11 LEU HD13 H 1 0.847 0 . . . . . . A 1048 LEU HD13 . 34187 1 84 . 1 1 11 11 LEU HD21 H 1 0.847 0 . . . . . . A 1048 LEU HD21 . 34187 1 85 . 1 1 11 11 LEU HD22 H 1 0.847 0 . . . . . . A 1048 LEU HD22 . 34187 1 86 . 1 1 11 11 LEU HD23 H 1 0.847 0 . . . . . . A 1048 LEU HD23 . 34187 1 87 . 1 1 11 11 LEU CA C 13 57.805 0.014 . . . . . . A 1048 LEU CA . 34187 1 88 . 1 1 11 11 LEU CB C 13 42.042 0 . . . . . . A 1048 LEU CB . 34187 1 89 . 1 1 11 11 LEU N N 15 119.627 0.025 . . . . . . A 1048 LEU N . 34187 1 90 . 1 1 12 12 LEU H H 1 8.276 0.003 . . . . . . A 1049 LEU H . 34187 1 91 . 1 1 12 12 LEU HA H 1 3.987 0.011 . . . . . . A 1049 LEU HA . 34187 1 92 . 1 1 12 12 LEU HB2 H 1 1.885 0.009 . . . . . . A 1049 LEU HB2 . 34187 1 93 . 1 1 12 12 LEU HB3 H 1 1.638 0.008 . . . . . . A 1049 LEU HB3 . 34187 1 94 . 1 1 12 12 LEU HD11 H 1 0.852 0.003 . . . . . . A 1049 LEU HD11 . 34187 1 95 . 1 1 12 12 LEU HD12 H 1 0.852 0.003 . . . . . . A 1049 LEU HD12 . 34187 1 96 . 1 1 12 12 LEU HD13 H 1 0.852 0.003 . . . . . . A 1049 LEU HD13 . 34187 1 97 . 1 1 12 12 LEU HD21 H 1 0.852 0.003 . . . . . . A 1049 LEU HD21 . 34187 1 98 . 1 1 12 12 LEU HD22 H 1 0.852 0.003 . . . . . . A 1049 LEU HD22 . 34187 1 99 . 1 1 12 12 LEU HD23 H 1 0.852 0.003 . . . . . . A 1049 LEU HD23 . 34187 1 100 . 1 1 12 12 LEU CA C 13 58.321 0.049 . . . . . . A 1049 LEU CA . 34187 1 101 . 1 1 12 12 LEU CB C 13 41.271 0 . . . . . . A 1049 LEU CB . 34187 1 102 . 1 1 12 12 LEU CD1 C 13 23.329 0.046 . . . . . . A 1049 LEU CD1 . 34187 1 103 . 1 1 12 12 LEU CD2 C 13 23.329 0.046 . . . . . . A 1049 LEU CD2 . 34187 1 104 . 1 1 12 12 LEU N N 15 120.51 0.03 . . . . . . A 1049 LEU N . 34187 1 105 . 1 1 13 13 ASP H H 1 8.384 0.008 . . . . . . A 1050 ASP H . 34187 1 106 . 1 1 13 13 ASP HA H 1 4.439 0.008 . . . . . . A 1050 ASP HA . 34187 1 107 . 1 1 13 13 ASP HB2 H 1 2.827 0.013 . . . . . . A 1050 ASP HB2 . 34187 1 108 . 1 1 13 13 ASP HB3 H 1 2.697 0.005 . . . . . . A 1050 ASP HB3 . 34187 1 109 . 1 1 13 13 ASP CA C 13 57.37 0 . . . . . . A 1050 ASP CA . 34187 1 110 . 1 1 13 13 ASP CB C 13 40.113 0.02 . . . . . . A 1050 ASP CB . 34187 1 111 . 1 1 13 13 ASP N N 15 120.333 0.136 . . . . . . A 1050 ASP N . 34187 1 112 . 1 1 14 14 GLN H H 1 7.926 0.008 . . . . . . A 1051 GLN H . 34187 1 113 . 1 1 14 14 GLN HA H 1 4.088 0 . . . . . . A 1051 GLN HA . 34187 1 114 . 1 1 14 14 GLN HB2 H 1 2.251 0 . . . . . . A 1051 GLN HB2 . 34187 1 115 . 1 1 14 14 GLN HB3 H 1 2.251 0 . . . . . . A 1051 GLN HB3 . 34187 1 116 . 1 1 14 14 GLN HG2 H 1 2.566 0 . . . . . . A 1051 GLN HG2 . 34187 1 117 . 1 1 14 14 GLN HG3 H 1 2.566 0 . . . . . . A 1051 GLN HG3 . 34187 1 118 . 1 1 14 14 GLN CA C 13 59.062 0 . . . . . . A 1051 GLN CA . 34187 1 119 . 1 1 14 14 GLN CB C 13 28.705 0 . . . . . . A 1051 GLN CB . 34187 1 120 . 1 1 14 14 GLN N N 15 120.332 0.019 . . . . . . A 1051 GLN N . 34187 1 121 . 1 1 15 15 LEU H H 1 8.447 0 . . . . . . A 1052 LEU H . 34187 1 122 . 1 1 15 15 LEU HA H 1 4.003 0 . . . . . . A 1052 LEU HA . 34187 1 123 . 1 1 15 15 LEU HB2 H 1 1.672 0 . . . . . . A 1052 LEU HB2 . 34187 1 124 . 1 1 15 15 LEU HB3 H 1 1.672 0 . . . . . . A 1052 LEU HB3 . 34187 1 125 . 1 1 15 15 LEU HD11 H 1 0.865 0 . . . . . . A 1052 LEU HD11 . 34187 1 126 . 1 1 15 15 LEU HD12 H 1 0.865 0 . . . . . . A 1052 LEU HD12 . 34187 1 127 . 1 1 15 15 LEU HD13 H 1 0.865 0 . . . . . . A 1052 LEU HD13 . 34187 1 128 . 1 1 15 15 LEU HD21 H 1 0.865 0 . . . . . . A 1052 LEU HD21 . 34187 1 129 . 1 1 15 15 LEU HD22 H 1 0.865 0 . . . . . . A 1052 LEU HD22 . 34187 1 130 . 1 1 15 15 LEU HD23 H 1 0.865 0 . . . . . . A 1052 LEU HD23 . 34187 1 131 . 1 1 15 15 LEU CA C 13 56.398 0 . . . . . . A 1052 LEU CA . 34187 1 132 . 1 1 15 15 LEU CB C 13 41.306 0 . . . . . . A 1052 LEU CB . 34187 1 133 . 1 1 15 15 LEU N N 15 121.526 0.094 . . . . . . A 1052 LEU N . 34187 1 134 . 1 1 16 16 ASP H H 1 8.368 0.025 . . . . . . A 1053 ASP H . 34187 1 135 . 1 1 16 16 ASP HA H 1 4.304 0 . . . . . . A 1053 ASP HA . 34187 1 136 . 1 1 16 16 ASP CA C 13 57.965 0 . . . . . . A 1053 ASP CA . 34187 1 137 . 1 1 16 16 ASP CB C 13 41.218 0 . . . . . . A 1053 ASP CB . 34187 1 138 . 1 1 16 16 ASP N N 15 119.355 0 . . . . . . A 1053 ASP N . 34187 1 139 . 1 1 17 17 SER H H 1 7.897 0.01 . . . . . . A 1054 SER H . 34187 1 140 . 1 1 17 17 SER HA H 1 4.206 0.005 . . . . . . A 1054 SER HA . 34187 1 141 . 1 1 17 17 SER HB2 H 1 3.964 0.002 . . . . . . A 1054 SER HB2 . 34187 1 142 . 1 1 17 17 SER HB3 H 1 3.984 0.003 . . . . . . A 1054 SER HB3 . 34187 1 143 . 1 1 17 17 SER HG H 1 4.749 0 . . . . . . A 1054 SER HG . 34187 1 144 . 1 1 17 17 SER CA C 13 61.366 0.073 . . . . . . A 1054 SER CA . 34187 1 145 . 1 1 17 17 SER CB C 13 62.854 0.04 . . . . . . A 1054 SER CB . 34187 1 146 . 1 1 17 17 SER N N 15 113.75 0.026 . . . . . . A 1054 SER N . 34187 1 147 . 1 1 18 18 LEU H H 1 8.113 0.005 . . . . . . A 1055 LEU H . 34187 1 148 . 1 1 18 18 LEU HA H 1 4.182 0.003 . . . . . . A 1055 LEU HA . 34187 1 149 . 1 1 18 18 LEU HB2 H 1 1.77 0.018 . . . . . . A 1055 LEU HB2 . 34187 1 150 . 1 1 18 18 LEU HB3 H 1 1.697 0 . . . . . . A 1055 LEU HB3 . 34187 1 151 . 1 1 18 18 LEU HD11 H 1 0.876 0 . . . . . . A 1055 LEU HD11 . 34187 1 152 . 1 1 18 18 LEU HD12 H 1 0.876 0 . . . . . . A 1055 LEU HD12 . 34187 1 153 . 1 1 18 18 LEU HD13 H 1 0.876 0 . . . . . . A 1055 LEU HD13 . 34187 1 154 . 1 1 18 18 LEU HD21 H 1 0.876 0 . . . . . . A 1055 LEU HD21 . 34187 1 155 . 1 1 18 18 LEU HD22 H 1 0.876 0 . . . . . . A 1055 LEU HD22 . 34187 1 156 . 1 1 18 18 LEU HD23 H 1 0.876 0 . . . . . . A 1055 LEU HD23 . 34187 1 157 . 1 1 18 18 LEU CA C 13 57.722 0.006 . . . . . . A 1055 LEU CA . 34187 1 158 . 1 1 18 18 LEU CB C 13 42.577 0 . . . . . . A 1055 LEU CB . 34187 1 159 . 1 1 18 18 LEU N N 15 122.79 0.012 . . . . . . A 1055 LEU N . 34187 1 160 . 1 1 19 19 LEU H H 1 8.666 0.014 . . . . . . A 1056 LEU H . 34187 1 161 . 1 1 19 19 LEU HA H 1 4.107 0.004 . . . . . . A 1056 LEU HA . 34187 1 162 . 1 1 19 19 LEU HB2 H 1 1.824 0.01 . . . . . . A 1056 LEU HB2 . 34187 1 163 . 1 1 19 19 LEU HB3 H 1 1.831 0.004 . . . . . . A 1056 LEU HB3 . 34187 1 164 . 1 1 19 19 LEU HG H 1 1.357 0.008 . . . . . . A 1056 LEU HG . 34187 1 165 . 1 1 19 19 LEU HD11 H 1 0.674 0.006 . . . . . . A 1056 LEU HD11 . 34187 1 166 . 1 1 19 19 LEU HD12 H 1 0.674 0.006 . . . . . . A 1056 LEU HD12 . 34187 1 167 . 1 1 19 19 LEU HD13 H 1 0.674 0.006 . . . . . . A 1056 LEU HD13 . 34187 1 168 . 1 1 19 19 LEU HD21 H 1 0.786 0.004 . . . . . . A 1056 LEU HD21 . 34187 1 169 . 1 1 19 19 LEU HD22 H 1 0.786 0.004 . . . . . . A 1056 LEU HD22 . 34187 1 170 . 1 1 19 19 LEU HD23 H 1 0.786 0.004 . . . . . . A 1056 LEU HD23 . 34187 1 171 . 1 1 19 19 LEU CA C 13 57.435 0 . . . . . . A 1056 LEU CA . 34187 1 172 . 1 1 19 19 LEU CB C 13 40.907 0 . . . . . . A 1056 LEU CB . 34187 1 173 . 1 1 19 19 LEU CD1 C 13 25.741 0 . . . . . . A 1056 LEU CD1 . 34187 1 174 . 1 1 19 19 LEU CD2 C 13 23.152 0.003 . . . . . . A 1056 LEU CD2 . 34187 1 175 . 1 1 19 19 LEU N N 15 119.473 0.018 . . . . . . A 1056 LEU N . 34187 1 176 . 1 1 20 20 SER H H 1 7.952 0.011 . . . . . . A 1057 SER H . 34187 1 177 . 1 1 20 20 SER HA H 1 4.317 0.006 . . . . . . A 1057 SER HA . 34187 1 178 . 1 1 20 20 SER HB2 H 1 4.033 0.007 . . . . . . A 1057 SER HB2 . 34187 1 179 . 1 1 20 20 SER HB3 H 1 4.001 0.02 . . . . . . A 1057 SER HB3 . 34187 1 180 . 1 1 20 20 SER HG H 1 4.781 0 . . . . . . A 1057 SER HG . 34187 1 181 . 1 1 20 20 SER CA C 13 60.887 0.07 . . . . . . A 1057 SER CA . 34187 1 182 . 1 1 20 20 SER CB C 13 63.36 0.08 . . . . . . A 1057 SER CB . 34187 1 183 . 1 1 20 20 SER N N 15 113.658 0.01 . . . . . . A 1057 SER N . 34187 1 184 . 1 1 21 21 SER H H 1 7.603 0.013 . . . . . . A 1058 SER H . 34187 1 185 . 1 1 21 21 SER HA H 1 4.662 0.005 . . . . . . A 1058 SER HA . 34187 1 186 . 1 1 21 21 SER HB2 H 1 4.036 0.003 . . . . . . A 1058 SER HB2 . 34187 1 187 . 1 1 21 21 SER HB3 H 1 3.945 0.009 . . . . . . A 1058 SER HB3 . 34187 1 188 . 1 1 21 21 SER CA C 13 58.246 0.038 . . . . . . A 1058 SER CA . 34187 1 189 . 1 1 21 21 SER CB C 13 64.251 0 . . . . . . A 1058 SER CB . 34187 1 190 . 1 1 21 21 SER N N 15 114.655 0.028 . . . . . . A 1058 SER N . 34187 1 191 . 1 1 22 22 THR H H 1 7.531 0.005 . . . . . . A 1059 THR H . 34187 1 192 . 1 1 22 22 THR HA H 1 4.332 0.005 . . . . . . A 1059 THR HA . 34187 1 193 . 1 1 22 22 THR HB H 1 4.141 0.007 . . . . . . A 1059 THR HB . 34187 1 194 . 1 1 22 22 THR HG1 H 1 4.776 0.004 . . . . . . A 1059 THR HG1 . 34187 1 195 . 1 1 22 22 THR HG21 H 1 1.302 0.003 . . . . . . A 1059 THR HG21 . 34187 1 196 . 1 1 22 22 THR HG22 H 1 1.302 0.003 . . . . . . A 1059 THR HG22 . 34187 1 197 . 1 1 22 22 THR HG23 H 1 1.302 0.003 . . . . . . A 1059 THR HG23 . 34187 1 198 . 1 1 22 22 THR CA C 13 62.814 0.012 . . . . . . A 1059 THR CA . 34187 1 199 . 1 1 22 22 THR CB C 13 69.792 0.063 . . . . . . A 1059 THR CB . 34187 1 200 . 1 1 22 22 THR CG2 C 13 21.274 0.013 . . . . . . A 1059 THR CG2 . 34187 1 201 . 1 1 22 22 THR N N 15 119.009 0.038 . . . . . . A 1059 THR N . 34187 1 202 . 1 1 23 23 ASP H H 1 8.603 0.009 . . . . . . A 1060 ASP H . 34187 1 203 . 1 1 23 23 ASP HA H 1 4.472 0.002 . . . . . . A 1060 ASP HA . 34187 1 204 . 1 1 23 23 ASP HB2 H 1 2.76 0.013 . . . . . . A 1060 ASP HB2 . 34187 1 205 . 1 1 23 23 ASP HB3 H 1 2.74 0.018 . . . . . . A 1060 ASP HB3 . 34187 1 206 . 1 1 23 23 ASP CA C 13 55.09 0 . . . . . . A 1060 ASP CA . 34187 1 207 . 1 1 23 23 ASP CB C 13 42.476 0.038 . . . . . . A 1060 ASP CB . 34187 1 208 . 1 1 23 23 ASP N N 15 125.583 0.012 . . . . . . A 1060 ASP N . 34187 1 209 . 1 1 24 24 GLU H H 1 8.796 0.004 . . . . . . A 1061 GLU H . 34187 1 210 . 1 1 24 24 GLU HA H 1 4.061 0 . . . . . . A 1061 GLU HA . 34187 1 211 . 1 1 24 24 GLU HB2 H 1 2.074 0 . . . . . . A 1061 GLU HB2 . 34187 1 212 . 1 1 24 24 GLU HB3 H 1 2.074 0 . . . . . . A 1061 GLU HB3 . 34187 1 213 . 1 1 24 24 GLU HG2 H 1 2.337 0 . . . . . . A 1061 GLU HG2 . 34187 1 214 . 1 1 24 24 GLU HG3 H 1 2.337 0 . . . . . . A 1061 GLU HG3 . 34187 1 215 . 1 1 24 24 GLU CA C 13 59.14 0 . . . . . . A 1061 GLU CA . 34187 1 216 . 1 1 24 24 GLU CB C 13 29.677 0 . . . . . . A 1061 GLU CB . 34187 1 217 . 1 1 24 24 GLU N N 15 124.627 0.029 . . . . . . A 1061 GLU N . 34187 1 218 . 1 1 25 25 MET H H 1 8.587 0.002 . . . . . . A 1062 MET H . 34187 1 219 . 1 1 25 25 MET HA H 1 4.366 0.005 . . . . . . A 1062 MET HA . 34187 1 220 . 1 1 25 25 MET HB2 H 1 2.199 0.018 . . . . . . A 1062 MET HB2 . 34187 1 221 . 1 1 25 25 MET HB3 H 1 2.101 0.004 . . . . . . A 1062 MET HB3 . 34187 1 222 . 1 1 25 25 MET HG2 H 1 2.72 0.008 . . . . . . A 1062 MET HG2 . 34187 1 223 . 1 1 25 25 MET HG3 H 1 2.605 0.006 . . . . . . A 1062 MET HG3 . 34187 1 224 . 1 1 25 25 MET CA C 13 58.014 0.066 . . . . . . A 1062 MET CA . 34187 1 225 . 1 1 25 25 MET CB C 13 31.821 0 . . . . . . A 1062 MET CB . 34187 1 226 . 1 1 25 25 MET CG C 13 32.483 0.07 . . . . . . A 1062 MET CG . 34187 1 227 . 1 1 25 25 MET N N 15 118.827 0.034 . . . . . . A 1062 MET N . 34187 1 228 . 1 1 26 26 GLU H H 1 8.001 0 . . . . . . A 1063 GLU H . 34187 1 229 . 1 1 26 26 GLU HA H 1 4.186 0 . . . . . . A 1063 GLU HA . 34187 1 230 . 1 1 26 26 GLU HB2 H 1 2.155 0 . . . . . . A 1063 GLU HB2 . 34187 1 231 . 1 1 26 26 GLU HB3 H 1 2.155 0 . . . . . . A 1063 GLU HB3 . 34187 1 232 . 1 1 26 26 GLU CA C 13 58.477 0 . . . . . . A 1063 GLU CA . 34187 1 233 . 1 1 26 26 GLU N N 15 120.405 0 . . . . . . A 1063 GLU N . 34187 1 234 . 1 1 27 27 LEU H H 1 7.882 0 . . . . . . A 1064 LEU H . 34187 1 235 . 1 1 27 27 LEU HA H 1 4.196 0 . . . . . . A 1064 LEU HA . 34187 1 236 . 1 1 27 27 LEU HB2 H 1 1.659 0 . . . . . . A 1064 LEU HB2 . 34187 1 237 . 1 1 27 27 LEU HB3 H 1 1.659 0 . . . . . . A 1064 LEU HB3 . 34187 1 238 . 1 1 27 27 LEU HD11 H 1 0.864 0 . . . . . . A 1064 LEU HD11 . 34187 1 239 . 1 1 27 27 LEU HD12 H 1 0.864 0 . . . . . . A 1064 LEU HD12 . 34187 1 240 . 1 1 27 27 LEU HD13 H 1 0.864 0 . . . . . . A 1064 LEU HD13 . 34187 1 241 . 1 1 27 27 LEU HD21 H 1 0.864 0 . . . . . . A 1064 LEU HD21 . 34187 1 242 . 1 1 27 27 LEU HD22 H 1 0.864 0 . . . . . . A 1064 LEU HD22 . 34187 1 243 . 1 1 27 27 LEU HD23 H 1 0.864 0 . . . . . . A 1064 LEU HD23 . 34187 1 244 . 1 1 27 27 LEU CA C 13 56.832 0 . . . . . . A 1064 LEU CA . 34187 1 245 . 1 1 27 27 LEU CB C 13 41.628 0 . . . . . . A 1064 LEU CB . 34187 1 246 . 1 1 27 27 LEU N N 15 119.17 0 . . . . . . A 1064 LEU N . 34187 1 247 . 1 1 28 28 ALA H H 1 8.08 0.003 . . . . . . A 1065 ALA H . 34187 1 248 . 1 1 28 28 ALA HA H 1 4.213 0 . . . . . . A 1065 ALA HA . 34187 1 249 . 1 1 28 28 ALA HB1 H 1 1.563 0 . . . . . . A 1065 ALA HB1 . 34187 1 250 . 1 1 28 28 ALA HB2 H 1 1.563 0 . . . . . . A 1065 ALA HB2 . 34187 1 251 . 1 1 28 28 ALA HB3 H 1 1.563 0 . . . . . . A 1065 ALA HB3 . 34187 1 252 . 1 1 28 28 ALA CA C 13 55.507 0 . . . . . . A 1065 ALA CA . 34187 1 253 . 1 1 28 28 ALA CB C 13 18.174 0 . . . . . . A 1065 ALA CB . 34187 1 254 . 1 1 28 28 ALA N N 15 121.305 0.016 . . . . . . A 1065 ALA N . 34187 1 255 . 1 1 29 29 GLU H H 1 7.889 0.005 . . . . . . A 1066 GLU H . 34187 1 256 . 1 1 29 29 GLU HA H 1 4.187 0 . . . . . . A 1066 GLU HA . 34187 1 257 . 1 1 29 29 GLU HB2 H 1 2.142 0 . . . . . . A 1066 GLU HB2 . 34187 1 258 . 1 1 29 29 GLU HB3 H 1 2.142 0 . . . . . . A 1066 GLU HB3 . 34187 1 259 . 1 1 29 29 GLU HG2 H 1 2.376 0 . . . . . . A 1066 GLU HG2 . 34187 1 260 . 1 1 29 29 GLU HG3 H 1 2.376 0 . . . . . . A 1066 GLU HG3 . 34187 1 261 . 1 1 29 29 GLU CA C 13 59.081 0 . . . . . . A 1066 GLU CA . 34187 1 262 . 1 1 29 29 GLU CB C 13 29.212 0 . . . . . . A 1066 GLU CB . 34187 1 263 . 1 1 29 29 GLU N N 15 117.048 0.038 . . . . . . A 1066 GLU N . 34187 1 264 . 1 1 30 30 ILE H H 1 7.774 0.014 . . . . . . A 1067 ILE H . 34187 1 265 . 1 1 30 30 ILE HA H 1 3.66 0.006 . . . . . . A 1067 ILE HA . 34187 1 266 . 1 1 30 30 ILE HB H 1 2.171 0.007 . . . . . . A 1067 ILE HB . 34187 1 267 . 1 1 30 30 ILE HG12 H 1 1.747 0.009 . . . . . . A 1067 ILE HG12 . 34187 1 268 . 1 1 30 30 ILE HG13 H 1 1.056 0.005 . . . . . . A 1067 ILE HG13 . 34187 1 269 . 1 1 30 30 ILE HG21 H 1 0.763 0.008 . . . . . . A 1067 ILE HG21 . 34187 1 270 . 1 1 30 30 ILE HG22 H 1 0.763 0.008 . . . . . . A 1067 ILE HG22 . 34187 1 271 . 1 1 30 30 ILE HG23 H 1 0.763 0.008 . . . . . . A 1067 ILE HG23 . 34187 1 272 . 1 1 30 30 ILE HD11 H 1 0.855 0.006 . . . . . . A 1067 ILE HD11 . 34187 1 273 . 1 1 30 30 ILE HD12 H 1 0.855 0.006 . . . . . . A 1067 ILE HD12 . 34187 1 274 . 1 1 30 30 ILE HD13 H 1 0.855 0.006 . . . . . . A 1067 ILE HD13 . 34187 1 275 . 1 1 30 30 ILE CA C 13 65.257 0.015 . . . . . . A 1067 ILE CA . 34187 1 276 . 1 1 30 30 ILE CB C 13 37.338 0.008 . . . . . . A 1067 ILE CB . 34187 1 277 . 1 1 30 30 ILE CG1 C 13 29.101 0.085 . . . . . . A 1067 ILE CG1 . 34187 1 278 . 1 1 30 30 ILE CG2 C 13 18.178 0.01 . . . . . . A 1067 ILE CG2 . 34187 1 279 . 1 1 30 30 ILE CD1 C 13 13.017 0.077 . . . . . . A 1067 ILE CD1 . 34187 1 280 . 1 1 30 30 ILE N N 15 122.87 0.038 . . . . . . A 1067 ILE N . 34187 1 281 . 1 1 31 31 ASP H H 1 8.678 0.012 . . . . . . A 1068 ASP H . 34187 1 282 . 1 1 31 31 ASP HA H 1 4.264 0.012 . . . . . . A 1068 ASP HA . 34187 1 283 . 1 1 31 31 ASP HB2 H 1 2.948 0.008 . . . . . . A 1068 ASP HB2 . 34187 1 284 . 1 1 31 31 ASP HB3 H 1 2.472 0.004 . . . . . . A 1068 ASP HB3 . 34187 1 285 . 1 1 31 31 ASP CA C 13 57.647 0.053 . . . . . . A 1068 ASP CA . 34187 1 286 . 1 1 31 31 ASP CB C 13 40.046 0.006 . . . . . . A 1068 ASP CB . 34187 1 287 . 1 1 31 31 ASP N N 15 120.563 0.05 . . . . . . A 1068 ASP N . 34187 1 288 . 1 1 32 32 ARG H H 1 7.901 0.019 . . . . . . A 1069 ARG H . 34187 1 289 . 1 1 32 32 ARG HA H 1 4.149 0.009 . . . . . . A 1069 ARG HA . 34187 1 290 . 1 1 32 32 ARG HB2 H 1 1.919 0 . . . . . . A 1069 ARG HB2 . 34187 1 291 . 1 1 32 32 ARG HB3 H 1 1.839 0 . . . . . . A 1069 ARG HB3 . 34187 1 292 . 1 1 32 32 ARG HG2 H 1 1.609 0 . . . . . . A 1069 ARG HG2 . 34187 1 293 . 1 1 32 32 ARG HG3 H 1 1.609 0 . . . . . . A 1069 ARG HG3 . 34187 1 294 . 1 1 32 32 ARG HD2 H 1 3.244 0.008 . . . . . . A 1069 ARG HD2 . 34187 1 295 . 1 1 32 32 ARG HD3 H 1 3.245 0.003 . . . . . . A 1069 ARG HD3 . 34187 1 296 . 1 1 32 32 ARG CA C 13 58.981 0 . . . . . . A 1069 ARG CA . 34187 1 297 . 1 1 32 32 ARG CB C 13 30.347 0 . . . . . . A 1069 ARG CB . 34187 1 298 . 1 1 32 32 ARG CD C 13 43.388 0.072 . . . . . . A 1069 ARG CD . 34187 1 299 . 1 1 32 32 ARG N N 15 118.491 0.024 . . . . . . A 1069 ARG N . 34187 1 300 . 1 1 33 33 ALA H H 1 8.023 0.013 . . . . . . A 1070 ALA H . 34187 1 301 . 1 1 33 33 ALA HA H 1 4.153 0.005 . . . . . . A 1070 ALA HA . 34187 1 302 . 1 1 33 33 ALA HB1 H 1 1.549 0.005 . . . . . . A 1070 ALA HB1 . 34187 1 303 . 1 1 33 33 ALA HB2 H 1 1.549 0.005 . . . . . . A 1070 ALA HB2 . 34187 1 304 . 1 1 33 33 ALA HB3 H 1 1.549 0.005 . . . . . . A 1070 ALA HB3 . 34187 1 305 . 1 1 33 33 ALA CA C 13 54.868 0.029 . . . . . . A 1070 ALA CA . 34187 1 306 . 1 1 33 33 ALA CB C 13 18.719 0.039 . . . . . . A 1070 ALA CB . 34187 1 307 . 1 1 33 33 ALA N N 15 123.573 0.008 . . . . . . A 1070 ALA N . 34187 1 308 . 1 1 34 34 LEU H H 1 8.051 0.002 . . . . . . A 1071 LEU H . 34187 1 309 . 1 1 34 34 LEU HA H 1 4.264 0.018 . . . . . . A 1071 LEU HA . 34187 1 310 . 1 1 34 34 LEU HB2 H 1 1.842 0.013 . . . . . . A 1071 LEU HB2 . 34187 1 311 . 1 1 34 34 LEU HB3 H 1 1.602 0 . . . . . . A 1071 LEU HB3 . 34187 1 312 . 1 1 34 34 LEU HG H 1 1.61 0.007 . . . . . . A 1071 LEU HG . 34187 1 313 . 1 1 34 34 LEU HD11 H 1 0.776 0.003 . . . . . . A 1071 LEU HD11 . 34187 1 314 . 1 1 34 34 LEU HD12 H 1 0.776 0.003 . . . . . . A 1071 LEU HD12 . 34187 1 315 . 1 1 34 34 LEU HD13 H 1 0.776 0.003 . . . . . . A 1071 LEU HD13 . 34187 1 316 . 1 1 34 34 LEU HD21 H 1 0.776 0.003 . . . . . . A 1071 LEU HD21 . 34187 1 317 . 1 1 34 34 LEU HD22 H 1 0.776 0.003 . . . . . . A 1071 LEU HD22 . 34187 1 318 . 1 1 34 34 LEU HD23 H 1 0.776 0.003 . . . . . . A 1071 LEU HD23 . 34187 1 319 . 1 1 34 34 LEU CA C 13 55.065 0 . . . . . . A 1071 LEU CA . 34187 1 320 . 1 1 34 34 LEU CB C 13 43.347 0 . . . . . . A 1071 LEU CB . 34187 1 321 . 1 1 34 34 LEU CD1 C 13 26.654 0.038 . . . . . . A 1071 LEU CD1 . 34187 1 322 . 1 1 34 34 LEU CD2 C 13 26.654 0.038 . . . . . . A 1071 LEU CD2 . 34187 1 323 . 1 1 34 34 LEU N N 15 115.843 0.01 . . . . . . A 1071 LEU N . 34187 1 324 . 1 1 35 35 GLY H H 1 7.867 0.009 . . . . . . A 1072 GLY H . 34187 1 325 . 1 1 35 35 GLY HA2 H 1 3.759 0 . . . . . . A 1072 GLY HA2 . 34187 1 326 . 1 1 35 35 GLY HA3 H 1 3.759 0 . . . . . . A 1072 GLY HA3 . 34187 1 327 . 1 1 35 35 GLY CA C 13 46.078 0.011 . . . . . . A 1072 GLY CA . 34187 1 328 . 1 1 35 35 GLY N N 15 107.814 0.003 . . . . . . A 1072 GLY N . 34187 1 329 . 1 1 36 36 ILE H H 1 8.077 0.005 . . . . . . A 1073 ILE H . 34187 1 330 . 1 1 36 36 ILE HA H 1 4.005 0.011 . . . . . . A 1073 ILE HA . 34187 1 331 . 1 1 36 36 ILE HB H 1 1.919 0.009 . . . . . . A 1073 ILE HB . 34187 1 332 . 1 1 36 36 ILE HG12 H 1 1.501 0.005 . . . . . . A 1073 ILE HG12 . 34187 1 333 . 1 1 36 36 ILE HG13 H 1 1.291 0.006 . . . . . . A 1073 ILE HG13 . 34187 1 334 . 1 1 36 36 ILE HG21 H 1 0.84 0.008 . . . . . . A 1073 ILE HG21 . 34187 1 335 . 1 1 36 36 ILE HG22 H 1 0.84 0.008 . . . . . . A 1073 ILE HG22 . 34187 1 336 . 1 1 36 36 ILE HG23 H 1 0.84 0.008 . . . . . . A 1073 ILE HG23 . 34187 1 337 . 1 1 36 36 ILE HD11 H 1 0.929 0.008 . . . . . . A 1073 ILE HD11 . 34187 1 338 . 1 1 36 36 ILE HD12 H 1 0.929 0.008 . . . . . . A 1073 ILE HD12 . 34187 1 339 . 1 1 36 36 ILE HD13 H 1 0.929 0.008 . . . . . . A 1073 ILE HD13 . 34187 1 340 . 1 1 36 36 ILE CA C 13 62.194 0 . . . . . . A 1073 ILE CA . 34187 1 341 . 1 1 36 36 ILE CB C 13 37.865 0.073 . . . . . . A 1073 ILE CB . 34187 1 342 . 1 1 36 36 ILE CG1 C 13 27.713 0.053 . . . . . . A 1073 ILE CG1 . 34187 1 343 . 1 1 36 36 ILE CG2 C 13 17.366 0.015 . . . . . . A 1073 ILE CG2 . 34187 1 344 . 1 1 36 36 ILE CD1 C 13 13.618 0.032 . . . . . . A 1073 ILE CD1 . 34187 1 345 . 1 1 36 36 ILE N N 15 118.215 0.029 . . . . . . A 1073 ILE N . 34187 1 346 . 1 1 37 37 ASP H H 1 8.623 0.005 . . . . . . A 1074 ASP H . 34187 1 347 . 1 1 37 37 ASP HA H 1 4.415 0.007 . . . . . . A 1074 ASP HA . 34187 1 348 . 1 1 37 37 ASP HB2 H 1 2.612 0.004 . . . . . . A 1074 ASP HB2 . 34187 1 349 . 1 1 37 37 ASP HB3 H 1 2.612 0.004 . . . . . . A 1074 ASP HB3 . 34187 1 350 . 1 1 37 37 ASP CA C 13 55.001 0.08 . . . . . . A 1074 ASP CA . 34187 1 351 . 1 1 37 37 ASP CB C 13 40.122 0.05 . . . . . . A 1074 ASP CB . 34187 1 352 . 1 1 37 37 ASP N N 15 121.251 0.02 . . . . . . A 1074 ASP N . 34187 1 353 . 1 1 38 38 LYS H H 1 7.882 0.005 . . . . . . A 1075 LYS H . 34187 1 354 . 1 1 38 38 LYS HA H 1 4.252 0 . . . . . . A 1075 LYS HA . 34187 1 355 . 1 1 38 38 LYS HB2 H 1 1.878 0 . . . . . . A 1075 LYS HB2 . 34187 1 356 . 1 1 38 38 LYS HB3 H 1 1.878 0 . . . . . . A 1075 LYS HB3 . 34187 1 357 . 1 1 38 38 LYS HG2 H 1 1.391 0 . . . . . . A 1075 LYS HG2 . 34187 1 358 . 1 1 38 38 LYS HG3 H 1 1.391 0 . . . . . . A 1075 LYS HG3 . 34187 1 359 . 1 1 38 38 LYS HD2 H 1 1.728 0 . . . . . . A 1075 LYS HD2 . 34187 1 360 . 1 1 38 38 LYS HD3 H 1 1.728 0 . . . . . . A 1075 LYS HD3 . 34187 1 361 . 1 1 38 38 LYS CA C 13 56.751 0 . . . . . . A 1075 LYS CA . 34187 1 362 . 1 1 38 38 LYS CB C 13 32.523 0 . . . . . . A 1075 LYS CB . 34187 1 363 . 1 1 38 38 LYS N N 15 120.009 0.025 . . . . . . A 1075 LYS N . 34187 1 364 . 1 1 39 39 LEU H H 1 7.932 0.002 . . . . . . A 1076 LEU H . 34187 1 365 . 1 1 39 39 LEU HA H 1 4.274 0.009 . . . . . . A 1076 LEU HA . 34187 1 366 . 1 1 39 39 LEU HB2 H 1 1.587 0.005 . . . . . . A 1076 LEU HB2 . 34187 1 367 . 1 1 39 39 LEU HB3 H 1 1.746 0.002 . . . . . . A 1076 LEU HB3 . 34187 1 368 . 1 1 39 39 LEU HG H 1 1.574 0 . . . . . . A 1076 LEU HG . 34187 1 369 . 1 1 39 39 LEU HD11 H 1 0.903 0 . . . . . . A 1076 LEU HD11 . 34187 1 370 . 1 1 39 39 LEU HD12 H 1 0.903 0 . . . . . . A 1076 LEU HD12 . 34187 1 371 . 1 1 39 39 LEU HD13 H 1 0.903 0 . . . . . . A 1076 LEU HD13 . 34187 1 372 . 1 1 39 39 LEU HD21 H 1 0.903 0 . . . . . . A 1076 LEU HD21 . 34187 1 373 . 1 1 39 39 LEU HD22 H 1 0.903 0 . . . . . . A 1076 LEU HD22 . 34187 1 374 . 1 1 39 39 LEU HD23 H 1 0.903 0 . . . . . . A 1076 LEU HD23 . 34187 1 375 . 1 1 39 39 LEU CA C 13 56.113 0 . . . . . . A 1076 LEU CA . 34187 1 376 . 1 1 39 39 LEU CB C 13 42.25 0 . . . . . . A 1076 LEU CB . 34187 1 377 . 1 1 39 39 LEU N N 15 121.375 0 . . . . . . A 1076 LEU N . 34187 1 378 . 1 1 40 40 VAL H H 1 7.967 0.004 . . . . . . A 1077 VAL H . 34187 1 379 . 1 1 40 40 VAL HA H 1 4.072 0.004 . . . . . . A 1077 VAL HA . 34187 1 380 . 1 1 40 40 VAL HB H 1 2.105 0.002 . . . . . . A 1077 VAL HB . 34187 1 381 . 1 1 40 40 VAL HG11 H 1 0.934 0.003 . . . . . . A 1077 VAL HG11 . 34187 1 382 . 1 1 40 40 VAL HG12 H 1 0.934 0.003 . . . . . . A 1077 VAL HG12 . 34187 1 383 . 1 1 40 40 VAL HG13 H 1 0.934 0.003 . . . . . . A 1077 VAL HG13 . 34187 1 384 . 1 1 40 40 VAL HG21 H 1 0.925 0.005 . . . . . . A 1077 VAL HG21 . 34187 1 385 . 1 1 40 40 VAL HG22 H 1 0.925 0.005 . . . . . . A 1077 VAL HG22 . 34187 1 386 . 1 1 40 40 VAL HG23 H 1 0.925 0.005 . . . . . . A 1077 VAL HG23 . 34187 1 387 . 1 1 40 40 VAL CA C 13 62.85 0.04 . . . . . . A 1077 VAL CA . 34187 1 388 . 1 1 40 40 VAL CB C 13 32.638 0.006 . . . . . . A 1077 VAL CB . 34187 1 389 . 1 1 40 40 VAL CG1 C 13 21.202 0.002 . . . . . . A 1077 VAL CG1 . 34187 1 390 . 1 1 40 40 VAL CG2 C 13 21.202 0.002 . . . . . . A 1077 VAL CG2 . 34187 1 391 . 1 1 40 40 VAL N N 15 119.016 0.018 . . . . . . A 1077 VAL N . 34187 1 392 . 1 1 41 41 SER H H 1 8.185 0.01 . . . . . . A 1078 SER H . 34187 1 393 . 1 1 41 41 SER HA H 1 4.466 0.024 . . . . . . A 1078 SER HA . 34187 1 394 . 1 1 41 41 SER HB2 H 1 3.889 0.004 . . . . . . A 1078 SER HB2 . 34187 1 395 . 1 1 41 41 SER HB3 H 1 3.888 0.003 . . . . . . A 1078 SER HB3 . 34187 1 396 . 1 1 41 41 SER HG H 1 4.777 0 . . . . . . A 1078 SER HG . 34187 1 397 . 1 1 41 41 SER CA C 13 58.799 0.021 . . . . . . A 1078 SER CA . 34187 1 398 . 1 1 41 41 SER CB C 13 63.787 0.02 . . . . . . A 1078 SER CB . 34187 1 399 . 1 1 41 41 SER N N 15 118.133 0.006 . . . . . . A 1078 SER N . 34187 1 400 . 1 1 42 42 GLN H H 1 8.319 0.002 . . . . . . A 1079 GLN H . 34187 1 401 . 1 1 42 42 GLN HA H 1 4.413 0 . . . . . . A 1079 GLN HA . 34187 1 402 . 1 1 42 42 GLN HB2 H 1 2.143 0 . . . . . . A 1079 GLN HB2 . 34187 1 403 . 1 1 42 42 GLN HB3 H 1 2.008 0 . . . . . . A 1079 GLN HB3 . 34187 1 404 . 1 1 42 42 GLN HG2 H 1 2.401 0 . . . . . . A 1079 GLN HG2 . 34187 1 405 . 1 1 42 42 GLN HG3 H 1 2.401 0 . . . . . . A 1079 GLN HG3 . 34187 1 406 . 1 1 42 42 GLN CA C 13 56.088 0 . . . . . . A 1079 GLN CA . 34187 1 407 . 1 1 42 42 GLN CB C 13 29.37 0 . . . . . . A 1079 GLN CB . 34187 1 408 . 1 1 42 42 GLN N N 15 121.959 0.017 . . . . . . A 1079 GLN N . 34187 1 409 . 1 1 43 43 GLN H H 1 8.364 0.003 . . . . . . A 1080 GLN H . 34187 1 410 . 1 1 43 43 GLN HA H 1 4.348 0.008 . . . . . . A 1080 GLN HA . 34187 1 411 . 1 1 43 43 GLN HB2 H 1 2.152 0.01 . . . . . . A 1080 GLN HB2 . 34187 1 412 . 1 1 43 43 GLN HB3 H 1 2.013 0.006 . . . . . . A 1080 GLN HB3 . 34187 1 413 . 1 1 43 43 GLN HG2 H 1 2.388 0.004 . . . . . . A 1080 GLN HG2 . 34187 1 414 . 1 1 43 43 GLN HG3 H 1 2.388 0.004 . . . . . . A 1080 GLN HG3 . 34187 1 415 . 1 1 43 43 GLN CA C 13 56.243 0.077 . . . . . . A 1080 GLN CA . 34187 1 416 . 1 1 43 43 GLN CB C 13 29.378 0.019 . . . . . . A 1080 GLN CB . 34187 1 417 . 1 1 43 43 GLN CG C 13 33.843 0 . . . . . . A 1080 GLN CG . 34187 1 418 . 1 1 43 43 GLN N N 15 121.095 0.022 . . . . . . A 1080 GLN N . 34187 1 419 . 1 1 44 44 GLY H H 1 8.432 0.002 . . . . . . A 1081 GLY H . 34187 1 420 . 1 1 44 44 GLY HA2 H 1 3.971 0.007 . . . . . . A 1081 GLY HA2 . 34187 1 421 . 1 1 44 44 GLY HA3 H 1 3.971 0.007 . . . . . . A 1081 GLY HA3 . 34187 1 422 . 1 1 44 44 GLY CA C 13 45.39 0 . . . . . . A 1081 GLY CA . 34187 1 423 . 1 1 44 44 GLY N N 15 110.595 0.022 . . . . . . A 1081 GLY N . 34187 1 424 . 1 1 45 45 GLY H H 1 7.976 0.003 . . . . . . A 1082 GLY H . 34187 1 425 . 1 1 45 45 GLY HA2 H 1 3.766 0.012 . . . . . . A 1082 GLY HA2 . 34187 1 426 . 1 1 45 45 GLY HA3 H 1 3.766 0.012 . . . . . . A 1082 GLY HA3 . 34187 1 427 . 1 1 45 45 GLY CA C 13 46.082 0.012 . . . . . . A 1082 GLY CA . 34187 1 428 . 1 1 45 45 GLY N N 15 115.209 0.018 . . . . . . A 1082 GLY N . 34187 1 429 . 2 2 1 1 GLY HA2 H 1 3.923 0.003 . . . . . . B 2060 GLY HA2 . 34187 1 430 . 2 2 1 1 GLY CA C 13 43.413 0.018 . . . . . . B 2060 GLY CA . 34187 1 431 . 2 2 2 2 SER H H 1 8.715 0.005 . . . . . . B 2061 SER H . 34187 1 432 . 2 2 2 2 SER HA H 1 4.625 0.006 . . . . . . B 2061 SER HA . 34187 1 433 . 2 2 2 2 SER HB2 H 1 3.874 0.016 . . . . . . B 2061 SER HB2 . 34187 1 434 . 2 2 2 2 SER HB3 H 1 3.879 0.014 . . . . . . B 2061 SER HB3 . 34187 1 435 . 2 2 2 2 SER HG H 1 4.806 0 . . . . . . B 2061 SER HG . 34187 1 436 . 2 2 2 2 SER CA C 13 58.264 0.07 . . . . . . B 2061 SER CA . 34187 1 437 . 2 2 2 2 SER CB C 13 64.11 0.082 . . . . . . B 2061 SER CB . 34187 1 438 . 2 2 2 2 SER N N 15 115.939 0.013 . . . . . . B 2061 SER N . 34187 1 439 . 2 2 3 3 THR H H 1 8.413 0.004 . . . . . . B 2062 THR H . 34187 1 440 . 2 2 3 3 THR HA H 1 4.63 0.005 . . . . . . B 2062 THR HA . 34187 1 441 . 2 2 3 3 THR HB H 1 4.151 0.004 . . . . . . B 2062 THR HB . 34187 1 442 . 2 2 3 3 THR HG1 H 1 4.811 0 . . . . . . B 2062 THR HG1 . 34187 1 443 . 2 2 3 3 THR HG21 H 1 1.242 0.002 . . . . . . B 2062 THR HG21 . 34187 1 444 . 2 2 3 3 THR HG22 H 1 1.242 0.002 . . . . . . B 2062 THR HG22 . 34187 1 445 . 2 2 3 3 THR HG23 H 1 1.242 0.002 . . . . . . B 2062 THR HG23 . 34187 1 446 . 2 2 3 3 THR CA C 13 60.242 0.078 . . . . . . B 2062 THR CA . 34187 1 447 . 2 2 3 3 THR CB C 13 69.542 0.061 . . . . . . B 2062 THR CB . 34187 1 448 . 2 2 3 3 THR CG2 C 13 21.705 0.06 . . . . . . B 2062 THR CG2 . 34187 1 449 . 2 2 3 3 THR N N 15 118.661 0.057 . . . . . . B 2062 THR N . 34187 1 450 . 2 2 4 4 PRO HA H 1 4.129 0 . . . . . . B 2063 PRO HA . 34187 1 451 . 2 2 4 4 PRO HB2 H 1 2.192 0.003 . . . . . . B 2063 PRO HB2 . 34187 1 452 . 2 2 4 4 PRO HB3 H 1 2.263 0 . . . . . . B 2063 PRO HB3 . 34187 1 453 . 2 2 4 4 PRO HD2 H 1 3.996 0 . . . . . . B 2063 PRO HD2 . 34187 1 454 . 2 2 4 4 PRO CB C 13 34.381 0.072 . . . . . . B 2063 PRO CB . 34187 1 455 . 2 2 4 4 PRO CD C 13 50.888 0 . . . . . . B 2063 PRO CD . 34187 1 456 . 2 2 5 5 PRO HA H 1 4.368 0.015 . . . . . . B 2064 PRO HA . 34187 1 457 . 2 2 5 5 PRO HB2 H 1 2.056 0 . . . . . . B 2064 PRO HB2 . 34187 1 458 . 2 2 5 5 PRO HB3 H 1 2.056 0 . . . . . . B 2064 PRO HB3 . 34187 1 459 . 2 2 5 5 PRO HG2 H 1 1.914 0.003 . . . . . . B 2064 PRO HG2 . 34187 1 460 . 2 2 5 5 PRO HG3 H 1 1.917 0.007 . . . . . . B 2064 PRO HG3 . 34187 1 461 . 2 2 5 5 PRO HD2 H 1 3.706 0.001 . . . . . . B 2064 PRO HD2 . 34187 1 462 . 2 2 5 5 PRO HD3 H 1 3.996 0 . . . . . . B 2064 PRO HD3 . 34187 1 463 . 2 2 5 5 PRO CA C 13 64.247 0.03 . . . . . . B 2064 PRO CA . 34187 1 464 . 2 2 5 5 PRO CB C 13 31.686 0.089 . . . . . . B 2064 PRO CB . 34187 1 465 . 2 2 5 5 PRO CD C 13 50.976 0.003 . . . . . . B 2064 PRO CD . 34187 1 466 . 2 2 6 6 GLN H H 1 8.387 0.003 . . . . . . B 2065 GLN H . 34187 1 467 . 2 2 6 6 GLN HA H 1 4.124 0.012 . . . . . . B 2065 GLN HA . 34187 1 468 . 2 2 6 6 GLN HB2 H 1 2.112 0.002 . . . . . . B 2065 GLN HB2 . 34187 1 469 . 2 2 6 6 GLN HB3 H 1 2.112 0.002 . . . . . . B 2065 GLN HB3 . 34187 1 470 . 2 2 6 6 GLN HG2 H 1 2.415 0.019 . . . . . . B 2065 GLN HG2 . 34187 1 471 . 2 2 6 6 GLN HG3 H 1 2.415 0.019 . . . . . . B 2065 GLN HG3 . 34187 1 472 . 2 2 6 6 GLN HE21 H 1 7.194 0 . . . . . . B 2065 GLN HE21 . 34187 1 473 . 2 2 6 6 GLN HE22 H 1 6.887 0 . . . . . . B 2065 GLN HE22 . 34187 1 474 . 2 2 6 6 GLN CA C 13 58.248 0.019 . . . . . . B 2065 GLN CA . 34187 1 475 . 2 2 6 6 GLN CB C 13 28.489 0.015 . . . . . . B 2065 GLN CB . 34187 1 476 . 2 2 6 6 GLN N N 15 120.035 0.082 . . . . . . B 2065 GLN N . 34187 1 477 . 2 2 6 6 GLN NE2 N 15 109.74 0 . . . . . . B 2065 GLN NE2 . 34187 1 478 . 2 2 7 7 ALA H H 1 8.29 0.003 . . . . . . B 2066 ALA H . 34187 1 479 . 2 2 7 7 ALA HA H 1 4.16 0.01 . . . . . . B 2066 ALA HA . 34187 1 480 . 2 2 7 7 ALA HB1 H 1 1.353 0.004 . . . . . . B 2066 ALA HB1 . 34187 1 481 . 2 2 7 7 ALA HB2 H 1 1.353 0.004 . . . . . . B 2066 ALA HB2 . 34187 1 482 . 2 2 7 7 ALA HB3 H 1 1.353 0.004 . . . . . . B 2066 ALA HB3 . 34187 1 483 . 2 2 7 7 ALA CA C 13 55.026 0.038 . . . . . . B 2066 ALA CA . 34187 1 484 . 2 2 7 7 ALA CB C 13 18.534 0.063 . . . . . . B 2066 ALA CB . 34187 1 485 . 2 2 7 7 ALA N N 15 122.776 0.052 . . . . . . B 2066 ALA N . 34187 1 486 . 2 2 8 8 LEU H H 1 7.842 0.004 . . . . . . B 2067 LEU H . 34187 1 487 . 2 2 8 8 LEU HA H 1 3.973 0.004 . . . . . . B 2067 LEU HA . 34187 1 488 . 2 2 8 8 LEU HB2 H 1 1.8 0 . . . . . . B 2067 LEU HB2 . 34187 1 489 . 2 2 8 8 LEU HB3 H 1 1.578 0.005 . . . . . . B 2067 LEU HB3 . 34187 1 490 . 2 2 8 8 LEU HG H 1 1.573 0 . . . . . . B 2067 LEU HG . 34187 1 491 . 2 2 8 8 LEU HD11 H 1 0.859 0.023 . . . . . . B 2067 LEU HD11 . 34187 1 492 . 2 2 8 8 LEU HD12 H 1 0.859 0.023 . . . . . . B 2067 LEU HD12 . 34187 1 493 . 2 2 8 8 LEU HD13 H 1 0.859 0.023 . . . . . . B 2067 LEU HD13 . 34187 1 494 . 2 2 8 8 LEU HD21 H 1 0.923 0 . . . . . . B 2067 LEU HD21 . 34187 1 495 . 2 2 8 8 LEU HD22 H 1 0.923 0 . . . . . . B 2067 LEU HD22 . 34187 1 496 . 2 2 8 8 LEU HD23 H 1 0.923 0 . . . . . . B 2067 LEU HD23 . 34187 1 497 . 2 2 8 8 LEU CA C 13 58.047 0.04 . . . . . . B 2067 LEU CA . 34187 1 498 . 2 2 8 8 LEU CB C 13 41.527 0.001 . . . . . . B 2067 LEU CB . 34187 1 499 . 2 2 8 8 LEU N N 15 117.902 0.053 . . . . . . B 2067 LEU N . 34187 1 500 . 2 2 9 9 GLN H H 1 7.917 0.007 . . . . . . B 2068 GLN H . 34187 1 501 . 2 2 9 9 GLN HA H 1 3.969 0.006 . . . . . . B 2068 GLN HA . 34187 1 502 . 2 2 9 9 GLN HB2 H 1 2.146 0 . . . . . . B 2068 GLN HB2 . 34187 1 503 . 2 2 9 9 GLN HB3 H 1 2.146 0 . . . . . . B 2068 GLN HB3 . 34187 1 504 . 2 2 9 9 GLN CA C 13 59.41 0 . . . . . . B 2068 GLN CA . 34187 1 505 . 2 2 9 9 GLN CB C 13 28.031 0 . . . . . . B 2068 GLN CB . 34187 1 506 . 2 2 9 9 GLN N N 15 117.687 0.053 . . . . . . B 2068 GLN N . 34187 1 507 . 2 2 10 10 GLN H H 1 8.149 0.008 . . . . . . B 2069 GLN H . 34187 1 508 . 2 2 10 10 GLN HA H 1 4.033 0 . . . . . . B 2069 GLN HA . 34187 1 509 . 2 2 10 10 GLN HB2 H 1 2.191 0.008 . . . . . . B 2069 GLN HB2 . 34187 1 510 . 2 2 10 10 GLN HB3 H 1 2.191 0.008 . . . . . . B 2069 GLN HB3 . 34187 1 511 . 2 2 10 10 GLN HG2 H 1 2.425 0 . . . . . . B 2069 GLN HG2 . 34187 1 512 . 2 2 10 10 GLN HG3 H 1 2.425 0 . . . . . . B 2069 GLN HG3 . 34187 1 513 . 2 2 10 10 GLN CA C 13 58.88 0 . . . . . . B 2069 GLN CA . 34187 1 514 . 2 2 10 10 GLN CB C 13 28.223 0 . . . . . . B 2069 GLN CB . 34187 1 515 . 2 2 10 10 GLN N N 15 119.056 0.088 . . . . . . B 2069 GLN N . 34187 1 516 . 2 2 11 11 LEU H H 1 8.547 0.002 . . . . . . B 2070 LEU H . 34187 1 517 . 2 2 11 11 LEU HA H 1 3.969 0.009 . . . . . . B 2070 LEU HA . 34187 1 518 . 2 2 11 11 LEU HB2 H 1 1.618 0 . . . . . . B 2070 LEU HB2 . 34187 1 519 . 2 2 11 11 LEU HD11 H 1 0.86 0.011 . . . . . . B 2070 LEU HD11 . 34187 1 520 . 2 2 11 11 LEU HD12 H 1 0.86 0.011 . . . . . . B 2070 LEU HD12 . 34187 1 521 . 2 2 11 11 LEU HD13 H 1 0.86 0.011 . . . . . . B 2070 LEU HD13 . 34187 1 522 . 2 2 11 11 LEU HD21 H 1 0.86 0.011 . . . . . . B 2070 LEU HD21 . 34187 1 523 . 2 2 11 11 LEU HD22 H 1 0.86 0.011 . . . . . . B 2070 LEU HD22 . 34187 1 524 . 2 2 11 11 LEU HD23 H 1 0.86 0.011 . . . . . . B 2070 LEU HD23 . 34187 1 525 . 2 2 11 11 LEU CA C 13 58.619 0 . . . . . . B 2070 LEU CA . 34187 1 526 . 2 2 11 11 LEU CB C 13 41.438 0 . . . . . . B 2070 LEU CB . 34187 1 527 . 2 2 11 11 LEU N N 15 123.431 0.041 . . . . . . B 2070 LEU N . 34187 1 528 . 2 2 12 12 LEU H H 1 8.383 0.005 . . . . . . B 2071 LEU H . 34187 1 529 . 2 2 12 12 LEU HA H 1 3.856 0.007 . . . . . . B 2071 LEU HA . 34187 1 530 . 2 2 12 12 LEU HB2 H 1 1.88 0.012 . . . . . . B 2071 LEU HB2 . 34187 1 531 . 2 2 12 12 LEU HB3 H 1 1.69 0.196 . . . . . . B 2071 LEU HB3 . 34187 1 532 . 2 2 12 12 LEU HG H 1 1.5 0.009 . . . . . . B 2071 LEU HG . 34187 1 533 . 2 2 12 12 LEU HD11 H 1 0.865 0 . . . . . . B 2071 LEU HD11 . 34187 1 534 . 2 2 12 12 LEU HD12 H 1 0.865 0 . . . . . . B 2071 LEU HD12 . 34187 1 535 . 2 2 12 12 LEU HD13 H 1 0.865 0 . . . . . . B 2071 LEU HD13 . 34187 1 536 . 2 2 12 12 LEU HD21 H 1 0.865 0 . . . . . . B 2071 LEU HD21 . 34187 1 537 . 2 2 12 12 LEU HD22 H 1 0.865 0 . . . . . . B 2071 LEU HD22 . 34187 1 538 . 2 2 12 12 LEU HD23 H 1 0.865 0 . . . . . . B 2071 LEU HD23 . 34187 1 539 . 2 2 12 12 LEU CA C 13 58.452 0.067 . . . . . . B 2071 LEU CA . 34187 1 540 . 2 2 12 12 LEU CB C 13 41.377 0.046 . . . . . . B 2071 LEU CB . 34187 1 541 . 2 2 12 12 LEU CD1 C 13 22.482 0 . . . . . . B 2071 LEU CD1 . 34187 1 542 . 2 2 12 12 LEU CD2 C 13 22.482 0 . . . . . . B 2071 LEU CD2 . 34187 1 543 . 2 2 12 12 LEU N N 15 119.002 0.064 . . . . . . B 2071 LEU N . 34187 1 544 . 2 2 13 13 GLN H H 1 7.958 0.004 . . . . . . B 2072 GLN H . 34187 1 545 . 2 2 13 13 GLN HA H 1 3.914 0.012 . . . . . . B 2072 GLN HA . 34187 1 546 . 2 2 13 13 GLN HB2 H 1 2.135 0 . . . . . . B 2072 GLN HB2 . 34187 1 547 . 2 2 13 13 GLN HB3 H 1 2.135 0 . . . . . . B 2072 GLN HB3 . 34187 1 548 . 2 2 13 13 GLN HG2 H 1 2.429 0 . . . . . . B 2072 GLN HG2 . 34187 1 549 . 2 2 13 13 GLN HG3 H 1 2.429 0 . . . . . . B 2072 GLN HG3 . 34187 1 550 . 2 2 13 13 GLN HE21 H 1 7.054 0.002 . . . . . . B 2072 GLN HE21 . 34187 1 551 . 2 2 13 13 GLN HE22 H 1 6.564 0 . . . . . . B 2072 GLN HE22 . 34187 1 552 . 2 2 13 13 GLN CA C 13 58.836 0 . . . . . . B 2072 GLN CA . 34187 1 553 . 2 2 13 13 GLN CB C 13 28.413 0 . . . . . . B 2072 GLN CB . 34187 1 554 . 2 2 13 13 GLN N N 15 116.076 0.06 . . . . . . B 2072 GLN N . 34187 1 555 . 2 2 13 13 GLN NE2 N 15 110.432 0 . . . . . . B 2072 GLN NE2 . 34187 1 556 . 2 2 14 14 THR H H 1 8.145 0.004 . . . . . . B 2073 THR H . 34187 1 557 . 2 2 14 14 THR HA H 1 3.973 0.007 . . . . . . B 2073 THR HA . 34187 1 558 . 2 2 14 14 THR HB H 1 4.178 0.004 . . . . . . B 2073 THR HB . 34187 1 559 . 2 2 14 14 THR HG1 H 1 4.77 0 . . . . . . B 2073 THR HG1 . 34187 1 560 . 2 2 14 14 THR HG21 H 1 1.226 0.003 . . . . . . B 2073 THR HG21 . 34187 1 561 . 2 2 14 14 THR HG22 H 1 1.226 0.003 . . . . . . B 2073 THR HG22 . 34187 1 562 . 2 2 14 14 THR HG23 H 1 1.226 0.003 . . . . . . B 2073 THR HG23 . 34187 1 563 . 2 2 14 14 THR CA C 13 66.892 0.025 . . . . . . B 2073 THR CA . 34187 1 564 . 2 2 14 14 THR CB C 13 68.677 0.024 . . . . . . B 2073 THR CB . 34187 1 565 . 2 2 14 14 THR CG2 C 13 23.06 0.108 . . . . . . B 2073 THR CG2 . 34187 1 566 . 2 2 14 14 THR N N 15 116.861 0.094 . . . . . . B 2073 THR N . 34187 1 567 . 2 2 15 15 LEU H H 1 8.371 0.004 . . . . . . B 2074 LEU H . 34187 1 568 . 2 2 15 15 LEU HA H 1 4.007 0.01 . . . . . . B 2074 LEU HA . 34187 1 569 . 2 2 15 15 LEU HB2 H 1 1.734 0 . . . . . . B 2074 LEU HB2 . 34187 1 570 . 2 2 15 15 LEU HB3 H 1 1.734 0 . . . . . . B 2074 LEU HB3 . 34187 1 571 . 2 2 15 15 LEU HG H 1 1.455 0.003 . . . . . . B 2074 LEU HG . 34187 1 572 . 2 2 15 15 LEU HD11 H 1 0.831 0.006 . . . . . . B 2074 LEU HD11 . 34187 1 573 . 2 2 15 15 LEU HD12 H 1 0.831 0.006 . . . . . . B 2074 LEU HD12 . 34187 1 574 . 2 2 15 15 LEU HD13 H 1 0.831 0.006 . . . . . . B 2074 LEU HD13 . 34187 1 575 . 2 2 15 15 LEU HD21 H 1 0.831 0.006 . . . . . . B 2074 LEU HD21 . 34187 1 576 . 2 2 15 15 LEU HD22 H 1 0.831 0.006 . . . . . . B 2074 LEU HD22 . 34187 1 577 . 2 2 15 15 LEU HD23 H 1 0.831 0.006 . . . . . . B 2074 LEU HD23 . 34187 1 578 . 2 2 15 15 LEU CA C 13 57.099 0.029 . . . . . . B 2074 LEU CA . 34187 1 579 . 2 2 15 15 LEU CB C 13 42.527 0.056 . . . . . . B 2074 LEU CB . 34187 1 580 . 2 2 15 15 LEU N N 15 121.668 0.058 . . . . . . B 2074 LEU N . 34187 1 581 . 2 2 16 16 LYS H H 1 7.435 0.002 . . . . . . B 2075 LYS H . 34187 1 582 . 2 2 16 16 LYS HA H 1 4.258 0.006 . . . . . . B 2075 LYS HA . 34187 1 583 . 2 2 16 16 LYS HB2 H 1 1.768 0 . . . . . . B 2075 LYS HB2 . 34187 1 584 . 2 2 16 16 LYS HB3 H 1 1.982 0.006 . . . . . . B 2075 LYS HB3 . 34187 1 585 . 2 2 16 16 LYS HG2 H 1 1.655 0 . . . . . . B 2075 LYS HG2 . 34187 1 586 . 2 2 16 16 LYS HG3 H 1 1.444 0 . . . . . . B 2075 LYS HG3 . 34187 1 587 . 2 2 16 16 LYS HD2 H 1 1.647 0 . . . . . . B 2075 LYS HD2 . 34187 1 588 . 2 2 16 16 LYS HD3 H 1 1.647 0 . . . . . . B 2075 LYS HD3 . 34187 1 589 . 2 2 16 16 LYS CA C 13 56.939 0.108 . . . . . . B 2075 LYS CA . 34187 1 590 . 2 2 16 16 LYS CB C 13 32.699 0.013 . . . . . . B 2075 LYS CB . 34187 1 591 . 2 2 16 16 LYS CG C 13 25.648 0.004 . . . . . . B 2075 LYS CG . 34187 1 592 . 2 2 16 16 LYS CD C 13 29.307 0 . . . . . . B 2075 LYS CD . 34187 1 593 . 2 2 16 16 LYS N N 15 117.415 0.066 . . . . . . B 2075 LYS N . 34187 1 594 . 2 2 17 17 SER H H 1 7.389 0.012 . . . . . . B 2076 SER H . 34187 1 595 . 2 2 17 17 SER HA H 1 4.722 0.007 . . . . . . B 2076 SER HA . 34187 1 596 . 2 2 17 17 SER HB2 H 1 4.033 0.012 . . . . . . B 2076 SER HB2 . 34187 1 597 . 2 2 17 17 SER CA C 13 57.916 0.029 . . . . . . B 2076 SER CA . 34187 1 598 . 2 2 17 17 SER CB C 13 62.885 0.018 . . . . . . B 2076 SER CB . 34187 1 599 . 2 2 17 17 SER N N 15 117.317 0.082 . . . . . . B 2076 SER N . 34187 1 600 . 2 2 18 18 PRO HA H 1 4.336 0.003 . . . . . . B 2077 PRO HA . 34187 1 601 . 2 2 18 18 PRO HB2 H 1 2.053 0 . . . . . . B 2077 PRO HB2 . 34187 1 602 . 2 2 18 18 PRO HB3 H 1 2.053 0 . . . . . . B 2077 PRO HB3 . 34187 1 603 . 2 2 18 18 PRO HG2 H 1 1.803 0 . . . . . . B 2077 PRO HG2 . 34187 1 604 . 2 2 18 18 PRO HG3 H 1 1.803 0 . . . . . . B 2077 PRO HG3 . 34187 1 605 . 2 2 18 18 PRO HD2 H 1 3.887 0 . . . . . . B 2077 PRO HD2 . 34187 1 606 . 2 2 18 18 PRO HD3 H 1 3.622 0 . . . . . . B 2077 PRO HD3 . 34187 1 607 . 2 2 18 18 PRO CA C 13 63.267 0 . . . . . . B 2077 PRO CA . 34187 1 608 . 2 2 18 18 PRO CB C 13 32.08 0 . . . . . . B 2077 PRO CB . 34187 1 609 . 2 2 18 18 PRO CD C 13 50.503 0.019 . . . . . . B 2077 PRO CD . 34187 1 610 . 2 2 19 19 SER H H 1 8.379 0.003 . . . . . . B 2078 SER H . 34187 1 611 . 2 2 19 19 SER HA H 1 4.249 0.004 . . . . . . B 2078 SER HA . 34187 1 612 . 2 2 19 19 SER HB2 H 1 3.816 0 . . . . . . B 2078 SER HB2 . 34187 1 613 . 2 2 19 19 SER HB3 H 1 3.852 0.004 . . . . . . B 2078 SER HB3 . 34187 1 614 . 2 2 19 19 SER CA C 13 59.208 0.015 . . . . . . B 2078 SER CA . 34187 1 615 . 2 2 19 19 SER CB C 13 63.533 0.038 . . . . . . B 2078 SER CB . 34187 1 616 . 2 2 19 19 SER N N 15 116.862 0.043 . . . . . . B 2078 SER N . 34187 1 617 . 2 2 20 20 SER H H 1 7.769 0.007 . . . . . . B 2079 SER H . 34187 1 618 . 2 2 20 20 SER HA H 1 4.87 0.004 . . . . . . B 2079 SER HA . 34187 1 619 . 2 2 20 20 SER HB2 H 1 4.203 0.012 . . . . . . B 2079 SER HB2 . 34187 1 620 . 2 2 20 20 SER HB3 H 1 4.119 0.004 . . . . . . B 2079 SER HB3 . 34187 1 621 . 2 2 20 20 SER CA C 13 57.251 0.076 . . . . . . B 2079 SER CA . 34187 1 622 . 2 2 20 20 SER CB C 13 63.181 0.085 . . . . . . B 2079 SER CB . 34187 1 623 . 2 2 20 20 SER N N 15 119.35 0.047 . . . . . . B 2079 SER N . 34187 1 624 . 2 2 21 21 PRO HA H 1 4.331 0.002 . . . . . . B 2080 PRO HA . 34187 1 625 . 2 2 21 21 PRO HB2 H 1 2.042 0 . . . . . . B 2080 PRO HB2 . 34187 1 626 . 2 2 21 21 PRO HB3 H 1 2.042 0 . . . . . . B 2080 PRO HB3 . 34187 1 627 . 2 2 21 21 PRO HD2 H 1 3.905 0 . . . . . . B 2080 PRO HD2 . 34187 1 628 . 2 2 21 21 PRO HD3 H 1 3.905 0 . . . . . . B 2080 PRO HD3 . 34187 1 629 . 2 2 21 21 PRO CA C 13 65.599 0.028 . . . . . . B 2080 PRO CA . 34187 1 630 . 2 2 21 21 PRO CB C 13 31.768 0 . . . . . . B 2080 PRO CB . 34187 1 631 . 2 2 21 21 PRO CD C 13 50.544 0 . . . . . . B 2080 PRO CD . 34187 1 632 . 2 2 22 22 GLN H H 1 8.187 0.003 . . . . . . B 2081 GLN H . 34187 1 633 . 2 2 22 22 GLN HA H 1 4.069 0.014 . . . . . . B 2081 GLN HA . 34187 1 634 . 2 2 22 22 GLN HB2 H 1 2.007 0 . . . . . . B 2081 GLN HB2 . 34187 1 635 . 2 2 22 22 GLN HB3 H 1 2.085 0.001 . . . . . . B 2081 GLN HB3 . 34187 1 636 . 2 2 22 22 GLN HG2 H 1 2.42 0.016 . . . . . . B 2081 GLN HG2 . 34187 1 637 . 2 2 22 22 GLN HG3 H 1 2.431 0.007 . . . . . . B 2081 GLN HG3 . 34187 1 638 . 2 2 22 22 GLN HE21 H 1 7.284 0.002 . . . . . . B 2081 GLN HE21 . 34187 1 639 . 2 2 22 22 GLN HE22 H 1 6.736 0.003 . . . . . . B 2081 GLN HE22 . 34187 1 640 . 2 2 22 22 GLN CA C 13 59.121 0.082 . . . . . . B 2081 GLN CA . 34187 1 641 . 2 2 22 22 GLN CB C 13 27.911 0.01 . . . . . . B 2081 GLN CB . 34187 1 642 . 2 2 22 22 GLN CG C 13 33.884 0 . . . . . . B 2081 GLN CG . 34187 1 643 . 2 2 22 22 GLN N N 15 116.811 0.024 . . . . . . B 2081 GLN N . 34187 1 644 . 2 2 22 22 GLN NE2 N 15 111.044 0.089 . . . . . . B 2081 GLN NE2 . 34187 1 645 . 2 2 23 23 GLN H H 1 8.252 0.01 . . . . . . B 2082 GLN H . 34187 1 646 . 2 2 23 23 GLN HA H 1 3.656 0.01 . . . . . . B 2082 GLN HA . 34187 1 647 . 2 2 23 23 GLN HB2 H 1 2.192 0.009 . . . . . . B 2082 GLN HB2 . 34187 1 648 . 2 2 23 23 GLN HB3 H 1 2.056 0.012 . . . . . . B 2082 GLN HB3 . 34187 1 649 . 2 2 23 23 GLN HG2 H 1 2.444 0 . . . . . . B 2082 GLN HG2 . 34187 1 650 . 2 2 23 23 GLN HG3 H 1 2.456 0.002 . . . . . . B 2082 GLN HG3 . 34187 1 651 . 2 2 23 23 GLN CA C 13 59.681 0.059 . . . . . . B 2082 GLN CA . 34187 1 652 . 2 2 23 23 GLN CB C 13 28.427 0.014 . . . . . . B 2082 GLN CB . 34187 1 653 . 2 2 23 23 GLN CG C 13 33.789 0 . . . . . . B 2082 GLN CG . 34187 1 654 . 2 2 23 23 GLN N N 15 119.143 0.05 . . . . . . B 2082 GLN N . 34187 1 655 . 2 2 24 24 GLN H H 1 8.059 0.002 . . . . . . B 2083 GLN H . 34187 1 656 . 2 2 24 24 GLN HA H 1 3.989 0.011 . . . . . . B 2083 GLN HA . 34187 1 657 . 2 2 24 24 GLN HB2 H 1 2.064 0 . . . . . . B 2083 GLN HB2 . 34187 1 658 . 2 2 24 24 GLN HB3 H 1 2.064 0 . . . . . . B 2083 GLN HB3 . 34187 1 659 . 2 2 24 24 GLN HG2 H 1 2.465 0 . . . . . . B 2083 GLN HG2 . 34187 1 660 . 2 2 24 24 GLN HG3 H 1 2.465 0 . . . . . . B 2083 GLN HG3 . 34187 1 661 . 2 2 24 24 GLN CA C 13 59.517 0.089 . . . . . . B 2083 GLN CA . 34187 1 662 . 2 2 24 24 GLN CB C 13 27.87 0 . . . . . . B 2083 GLN CB . 34187 1 663 . 2 2 24 24 GLN N N 15 124.087 0.023 . . . . . . B 2083 GLN N . 34187 1 664 . 2 2 25 25 GLN H H 1 7.861 0.01 . . . . . . B 2084 GLN H . 34187 1 665 . 2 2 25 25 GLN HA H 1 3.954 0.006 . . . . . . B 2084 GLN HA . 34187 1 666 . 2 2 25 25 GLN HB2 H 1 2.164 0 . . . . . . B 2084 GLN HB2 . 34187 1 667 . 2 2 25 25 GLN HB3 H 1 2.164 0 . . . . . . B 2084 GLN HB3 . 34187 1 668 . 2 2 25 25 GLN HG2 H 1 2.452 0 . . . . . . B 2084 GLN HG2 . 34187 1 669 . 2 2 25 25 GLN HG3 H 1 2.452 0 . . . . . . B 2084 GLN HG3 . 34187 1 670 . 2 2 25 25 GLN CA C 13 58.639 0 . . . . . . B 2084 GLN CA . 34187 1 671 . 2 2 25 25 GLN CB C 13 28.112 0 . . . . . . B 2084 GLN CB . 34187 1 672 . 2 2 25 25 GLN N N 15 117.154 0.103 . . . . . . B 2084 GLN N . 34187 1 673 . 2 2 26 26 GLN H H 1 7.987 0.003 . . . . . . B 2085 GLN H . 34187 1 674 . 2 2 26 26 GLN HA H 1 4.056 0.001 . . . . . . B 2085 GLN HA . 34187 1 675 . 2 2 26 26 GLN HB2 H 1 2.275 0 . . . . . . B 2085 GLN HB2 . 34187 1 676 . 2 2 26 26 GLN HB3 H 1 2.151 0 . . . . . . B 2085 GLN HB3 . 34187 1 677 . 2 2 26 26 GLN HG2 H 1 2.438 0 . . . . . . B 2085 GLN HG2 . 34187 1 678 . 2 2 26 26 GLN HG3 H 1 2.438 0 . . . . . . B 2085 GLN HG3 . 34187 1 679 . 2 2 26 26 GLN CA C 13 59.116 0 . . . . . . B 2085 GLN CA . 34187 1 680 . 2 2 26 26 GLN CB C 13 28.455 0.057 . . . . . . B 2085 GLN CB . 34187 1 681 . 2 2 26 26 GLN N N 15 120.255 0.087 . . . . . . B 2085 GLN N . 34187 1 682 . 2 2 27 27 VAL H H 1 8.167 0.003 . . . . . . B 2086 VAL H . 34187 1 683 . 2 2 27 27 VAL HA H 1 3.274 0.005 . . . . . . B 2086 VAL HA . 34187 1 684 . 2 2 27 27 VAL HB H 1 2.206 0.002 . . . . . . B 2086 VAL HB . 34187 1 685 . 2 2 27 27 VAL HG11 H 1 0.93 0.011 . . . . . . B 2086 VAL HG11 . 34187 1 686 . 2 2 27 27 VAL HG12 H 1 0.93 0.011 . . . . . . B 2086 VAL HG12 . 34187 1 687 . 2 2 27 27 VAL HG13 H 1 0.93 0.011 . . . . . . B 2086 VAL HG13 . 34187 1 688 . 2 2 27 27 VAL CA C 13 67.481 0.066 . . . . . . B 2086 VAL CA . 34187 1 689 . 2 2 27 27 VAL CB C 13 31.395 0.011 . . . . . . B 2086 VAL CB . 34187 1 690 . 2 2 27 27 VAL CG2 C 13 21.2 0 . . . . . . B 2086 VAL CG2 . 34187 1 691 . 2 2 27 27 VAL N N 15 119.561 0.065 . . . . . . B 2086 VAL N . 34187 1 692 . 2 2 28 28 LEU H H 1 7.857 0.006 . . . . . . B 2087 LEU H . 34187 1 693 . 2 2 28 28 LEU HA H 1 3.71 0.016 . . . . . . B 2087 LEU HA . 34187 1 694 . 2 2 28 28 LEU HB2 H 1 1.793 0.012 . . . . . . B 2087 LEU HB2 . 34187 1 695 . 2 2 28 28 LEU HB3 H 1 1.474 0.008 . . . . . . B 2087 LEU HB3 . 34187 1 696 . 2 2 28 28 LEU HG H 1 1.688 0.002 . . . . . . B 2087 LEU HG . 34187 1 697 . 2 2 28 28 LEU HD21 H 1 0.834 0.01 . . . . . . B 2087 LEU HD21 . 34187 1 698 . 2 2 28 28 LEU HD22 H 1 0.834 0.01 . . . . . . B 2087 LEU HD22 . 34187 1 699 . 2 2 28 28 LEU HD23 H 1 0.834 0.01 . . . . . . B 2087 LEU HD23 . 34187 1 700 . 2 2 28 28 LEU CA C 13 58.444 0.084 . . . . . . B 2087 LEU CA . 34187 1 701 . 2 2 28 28 LEU CB C 13 41.561 0.026 . . . . . . B 2087 LEU CB . 34187 1 702 . 2 2 28 28 LEU CG C 13 27.355 0 . . . . . . B 2087 LEU CG . 34187 1 703 . 2 2 28 28 LEU CD2 C 13 24.576 0 . . . . . . B 2087 LEU CD2 . 34187 1 704 . 2 2 28 28 LEU N N 15 117.737 0.126 . . . . . . B 2087 LEU N . 34187 1 705 . 2 2 29 29 GLN H H 1 8.129 0.005 . . . . . . B 2088 GLN H . 34187 1 706 . 2 2 29 29 GLN HA H 1 3.931 0.006 . . . . . . B 2088 GLN HA . 34187 1 707 . 2 2 29 29 GLN HB2 H 1 2.15 0 . . . . . . B 2088 GLN HB2 . 34187 1 708 . 2 2 29 29 GLN HB3 H 1 2.15 0 . . . . . . B 2088 GLN HB3 . 34187 1 709 . 2 2 29 29 GLN HG2 H 1 2.414 0 . . . . . . B 2088 GLN HG2 . 34187 1 710 . 2 2 29 29 GLN HG3 H 1 2.414 0 . . . . . . B 2088 GLN HG3 . 34187 1 711 . 2 2 29 29 GLN CA C 13 59.044 0 . . . . . . B 2088 GLN CA . 34187 1 712 . 2 2 29 29 GLN CB C 13 28.271 0 . . . . . . B 2088 GLN CB . 34187 1 713 . 2 2 29 29 GLN N N 15 117.723 0.077 . . . . . . B 2088 GLN N . 34187 1 714 . 2 2 30 30 ILE H H 1 8.018 0.005 . . . . . . B 2089 ILE H . 34187 1 715 . 2 2 30 30 ILE HA H 1 3.609 0.01 . . . . . . B 2089 ILE HA . 34187 1 716 . 2 2 30 30 ILE HB H 1 1.827 0.008 . . . . . . B 2089 ILE HB . 34187 1 717 . 2 2 30 30 ILE HG12 H 1 0.905 0 . . . . . . B 2089 ILE HG12 . 34187 1 718 . 2 2 30 30 ILE HG13 H 1 0.905 0 . . . . . . B 2089 ILE HG13 . 34187 1 719 . 2 2 30 30 ILE HG21 H 1 0.827 0.005 . . . . . . B 2089 ILE HG21 . 34187 1 720 . 2 2 30 30 ILE HG22 H 1 0.827 0.005 . . . . . . B 2089 ILE HG22 . 34187 1 721 . 2 2 30 30 ILE HG23 H 1 0.827 0.005 . . . . . . B 2089 ILE HG23 . 34187 1 722 . 2 2 30 30 ILE HD11 H 1 0.73 0.017 . . . . . . B 2089 ILE HD11 . 34187 1 723 . 2 2 30 30 ILE HD12 H 1 0.73 0.017 . . . . . . B 2089 ILE HD12 . 34187 1 724 . 2 2 30 30 ILE HD13 H 1 0.73 0.017 . . . . . . B 2089 ILE HD13 . 34187 1 725 . 2 2 30 30 ILE CA C 13 65.371 0.062 . . . . . . B 2089 ILE CA . 34187 1 726 . 2 2 30 30 ILE CB C 13 38.308 0.026 . . . . . . B 2089 ILE CB . 34187 1 727 . 2 2 30 30 ILE CG2 C 13 16.394 1.858 . . . . . . B 2089 ILE CG2 . 34187 1 728 . 2 2 30 30 ILE CD1 C 13 14.478 0 . . . . . . B 2089 ILE CD1 . 34187 1 729 . 2 2 30 30 ILE N N 15 120.939 0.075 . . . . . . B 2089 ILE N . 34187 1 730 . 2 2 31 31 LEU H H 1 8.173 0.007 . . . . . . B 2090 LEU H . 34187 1 731 . 2 2 31 31 LEU HA H 1 3.874 0.017 . . . . . . B 2090 LEU HA . 34187 1 732 . 2 2 31 31 LEU HD11 H 1 0.049 0.003 . . . . . . B 2090 LEU HD11 . 34187 1 733 . 2 2 31 31 LEU HD12 H 1 0.049 0.003 . . . . . . B 2090 LEU HD12 . 34187 1 734 . 2 2 31 31 LEU HD13 H 1 0.049 0.003 . . . . . . B 2090 LEU HD13 . 34187 1 735 . 2 2 31 31 LEU HD21 H 1 0.475 0.002 . . . . . . B 2090 LEU HD21 . 34187 1 736 . 2 2 31 31 LEU HD22 H 1 0.475 0.002 . . . . . . B 2090 LEU HD22 . 34187 1 737 . 2 2 31 31 LEU HD23 H 1 0.475 0.002 . . . . . . B 2090 LEU HD23 . 34187 1 738 . 2 2 31 31 LEU CA C 13 58.62 0.03 . . . . . . B 2090 LEU CA . 34187 1 739 . 2 2 31 31 LEU CB C 13 41.296 0.012 . . . . . . B 2090 LEU CB . 34187 1 740 . 2 2 31 31 LEU CD1 C 13 25.784 0 . . . . . . B 2090 LEU CD1 . 34187 1 741 . 2 2 31 31 LEU CD2 C 13 22.491 0 . . . . . . B 2090 LEU CD2 . 34187 1 742 . 2 2 31 31 LEU N N 15 119.232 0.067 . . . . . . B 2090 LEU N . 34187 1 743 . 2 2 32 32 LYS H H 1 8.446 0.004 . . . . . . B 2091 LYS H . 34187 1 744 . 2 2 32 32 LYS HA H 1 3.888 0.007 . . . . . . B 2091 LYS HA . 34187 1 745 . 2 2 32 32 LYS HB2 H 1 1.799 0.013 . . . . . . B 2091 LYS HB2 . 34187 1 746 . 2 2 32 32 LYS HB3 H 1 1.799 0.013 . . . . . . B 2091 LYS HB3 . 34187 1 747 . 2 2 32 32 LYS HG2 H 1 1.58 0.002 . . . . . . B 2091 LYS HG2 . 34187 1 748 . 2 2 32 32 LYS HG3 H 1 1.351 0.003 . . . . . . B 2091 LYS HG3 . 34187 1 749 . 2 2 32 32 LYS HD2 H 1 1.65 0 . . . . . . B 2091 LYS HD2 . 34187 1 750 . 2 2 32 32 LYS HD3 H 1 1.587 0 . . . . . . B 2091 LYS HD3 . 34187 1 751 . 2 2 32 32 LYS CA C 13 59.193 0 . . . . . . B 2091 LYS CA . 34187 1 752 . 2 2 32 32 LYS CB C 13 32.311 0.038 . . . . . . B 2091 LYS CB . 34187 1 753 . 2 2 32 32 LYS CG C 13 26.127 0.008 . . . . . . B 2091 LYS CG . 34187 1 754 . 2 2 32 32 LYS CD C 13 29.35 0.01 . . . . . . B 2091 LYS CD . 34187 1 755 . 2 2 32 32 LYS N N 15 115.747 0.029 . . . . . . B 2091 LYS N . 34187 1 756 . 2 2 33 33 SER H H 1 7.571 0.003 . . . . . . B 2092 SER H . 34187 1 757 . 2 2 33 33 SER HA H 1 4.484 0.003 . . . . . . B 2092 SER HA . 34187 1 758 . 2 2 33 33 SER HB2 H 1 3.983 0 . . . . . . B 2092 SER HB2 . 34187 1 759 . 2 2 33 33 SER HB3 H 1 3.983 0 . . . . . . B 2092 SER HB3 . 34187 1 760 . 2 2 33 33 SER HG H 1 4.773 0 . . . . . . B 2092 SER HG . 34187 1 761 . 2 2 33 33 SER CA C 13 59.404 0.012 . . . . . . B 2092 SER CA . 34187 1 762 . 2 2 33 33 SER CB C 13 64.418 0.061 . . . . . . B 2092 SER CB . 34187 1 763 . 2 2 33 33 SER N N 15 111.489 0.071 . . . . . . B 2092 SER N . 34187 1 764 . 2 2 34 34 ASN H H 1 7.29 0.004 . . . . . . B 2093 ASN H . 34187 1 765 . 2 2 34 34 ASN HA H 1 5.342 0.005 . . . . . . B 2093 ASN HA . 34187 1 766 . 2 2 34 34 ASN HB2 H 1 2.751 0.002 . . . . . . B 2093 ASN HB2 . 34187 1 767 . 2 2 34 34 ASN HB3 H 1 2.532 0.016 . . . . . . B 2093 ASN HB3 . 34187 1 768 . 2 2 34 34 ASN HD21 H 1 7.201 0.003 . . . . . . B 2093 ASN HD21 . 34187 1 769 . 2 2 34 34 ASN HD22 H 1 8.345 0.007 . . . . . . B 2093 ASN HD22 . 34187 1 770 . 2 2 34 34 ASN CA C 13 51.581 0.019 . . . . . . B 2093 ASN CA . 34187 1 771 . 2 2 34 34 ASN CB C 13 41.241 0.005 . . . . . . B 2093 ASN CB . 34187 1 772 . 2 2 34 34 ASN N N 15 118.393 0.107 . . . . . . B 2093 ASN N . 34187 1 773 . 2 2 34 34 ASN ND2 N 15 117.15 0.184 . . . . . . B 2093 ASN ND2 . 34187 1 774 . 2 2 35 35 PRO HA H 1 4.387 0.001 . . . . . . B 2094 PRO HA . 34187 1 775 . 2 2 35 35 PRO HD2 H 1 3.669 0 . . . . . . B 2094 PRO HD2 . 34187 1 776 . 2 2 35 35 PRO CA C 13 65.648 0.036 . . . . . . B 2094 PRO CA . 34187 1 777 . 2 2 35 35 PRO CB C 13 32.363 0 . . . . . . B 2094 PRO CB . 34187 1 778 . 2 2 35 35 PRO CD C 13 50.602 0 . . . . . . B 2094 PRO CD . 34187 1 779 . 2 2 36 36 GLN H H 1 8.951 0.002 . . . . . . B 2095 GLN H . 34187 1 780 . 2 2 36 36 GLN HA H 1 4.235 0.01 . . . . . . B 2095 GLN HA . 34187 1 781 . 2 2 36 36 GLN HB2 H 1 2.109 0 . . . . . . B 2095 GLN HB2 . 34187 1 782 . 2 2 36 36 GLN HB3 H 1 2.109 0 . . . . . . B 2095 GLN HB3 . 34187 1 783 . 2 2 36 36 GLN CA C 13 59.192 0.005 . . . . . . B 2095 GLN CA . 34187 1 784 . 2 2 36 36 GLN CB C 13 27.978 0.011 . . . . . . B 2095 GLN CB . 34187 1 785 . 2 2 36 36 GLN N N 15 118.531 0.021 . . . . . . B 2095 GLN N . 34187 1 786 . 2 2 37 37 LEU H H 1 7.854 0.006 . . . . . . B 2096 LEU H . 34187 1 787 . 2 2 37 37 LEU HA H 1 4.214 0.008 . . . . . . B 2096 LEU HA . 34187 1 788 . 2 2 37 37 LEU HB2 H 1 1.724 0.009 . . . . . . B 2096 LEU HB2 . 34187 1 789 . 2 2 37 37 LEU HB3 H 1 1.724 0.009 . . . . . . B 2096 LEU HB3 . 34187 1 790 . 2 2 37 37 LEU HD11 H 1 0.814 0.024 . . . . . . B 2096 LEU HD11 . 34187 1 791 . 2 2 37 37 LEU HD12 H 1 0.814 0.024 . . . . . . B 2096 LEU HD12 . 34187 1 792 . 2 2 37 37 LEU HD13 H 1 0.814 0.024 . . . . . . B 2096 LEU HD13 . 34187 1 793 . 2 2 37 37 LEU HD21 H 1 0.814 0.024 . . . . . . B 2096 LEU HD21 . 34187 1 794 . 2 2 37 37 LEU HD22 H 1 0.814 0.024 . . . . . . B 2096 LEU HD22 . 34187 1 795 . 2 2 37 37 LEU HD23 H 1 0.814 0.024 . . . . . . B 2096 LEU HD23 . 34187 1 796 . 2 2 37 37 LEU CA C 13 57.076 0.019 . . . . . . B 2096 LEU CA . 34187 1 797 . 2 2 37 37 LEU CB C 13 41.256 0.023 . . . . . . B 2096 LEU CB . 34187 1 798 . 2 2 37 37 LEU N N 15 121.241 0.064 . . . . . . B 2096 LEU N . 34187 1 799 . 2 2 38 38 MET H H 1 8.242 0.008 . . . . . . B 2097 MET H . 34187 1 800 . 2 2 38 38 MET HA H 1 4.078 0.021 . . . . . . B 2097 MET HA . 34187 1 801 . 2 2 38 38 MET HB2 H 1 1.728 0 . . . . . . B 2097 MET HB2 . 34187 1 802 . 2 2 38 38 MET HB3 H 1 1.728 0 . . . . . . B 2097 MET HB3 . 34187 1 803 . 2 2 38 38 MET HE1 H 1 1.972 0.004 . . . . . . B 2097 MET HE1 . 34187 1 804 . 2 2 38 38 MET HE2 H 1 1.972 0.004 . . . . . . B 2097 MET HE2 . 34187 1 805 . 2 2 38 38 MET HE3 H 1 1.972 0.004 . . . . . . B 2097 MET HE3 . 34187 1 806 . 2 2 38 38 MET CA C 13 59.53 0 . . . . . . B 2097 MET CA . 34187 1 807 . 2 2 38 38 MET CB C 13 31.583 0 . . . . . . B 2097 MET CB . 34187 1 808 . 2 2 38 38 MET CE C 13 17.854 0.011 . . . . . . B 2097 MET CE . 34187 1 809 . 2 2 38 38 MET N N 15 119.081 0.075 . . . . . . B 2097 MET N . 34187 1 810 . 2 2 39 39 ALA H H 1 8.037 0.005 . . . . . . B 2098 ALA H . 34187 1 811 . 2 2 39 39 ALA HA H 1 4.084 0.006 . . . . . . B 2098 ALA HA . 34187 1 812 . 2 2 39 39 ALA HB1 H 1 1.494 0.003 . . . . . . B 2098 ALA HB1 . 34187 1 813 . 2 2 39 39 ALA HB2 H 1 1.494 0.003 . . . . . . B 2098 ALA HB2 . 34187 1 814 . 2 2 39 39 ALA HB3 H 1 1.494 0.003 . . . . . . B 2098 ALA HB3 . 34187 1 815 . 2 2 39 39 ALA CA C 13 55.275 0 . . . . . . B 2098 ALA CA . 34187 1 816 . 2 2 39 39 ALA CB C 13 17.972 0.061 . . . . . . B 2098 ALA CB . 34187 1 817 . 2 2 39 39 ALA N N 15 119.127 0.051 . . . . . . B 2098 ALA N . 34187 1 818 . 2 2 40 40 ALA H H 1 7.604 0.003 . . . . . . B 2099 ALA H . 34187 1 819 . 2 2 40 40 ALA HA H 1 4.121 0.013 . . . . . . B 2099 ALA HA . 34187 1 820 . 2 2 40 40 ALA HB1 H 1 1.491 0.002 . . . . . . B 2099 ALA HB1 . 34187 1 821 . 2 2 40 40 ALA HB2 H 1 1.491 0.002 . . . . . . B 2099 ALA HB2 . 34187 1 822 . 2 2 40 40 ALA HB3 H 1 1.491 0.002 . . . . . . B 2099 ALA HB3 . 34187 1 823 . 2 2 40 40 ALA CA C 13 55.094 0.043 . . . . . . B 2099 ALA CA . 34187 1 824 . 2 2 40 40 ALA CB C 13 18.299 0.073 . . . . . . B 2099 ALA CB . 34187 1 825 . 2 2 40 40 ALA N N 15 120.948 0.033 . . . . . . B 2099 ALA N . 34187 1 826 . 2 2 41 41 PHE H H 1 8.6 0.004 . . . . . . B 2100 PHE H . 34187 1 827 . 2 2 41 41 PHE HA H 1 3.862 0.002 . . . . . . B 2100 PHE HA . 34187 1 828 . 2 2 41 41 PHE HB2 H 1 2.931 0.01 . . . . . . B 2100 PHE HB2 . 34187 1 829 . 2 2 41 41 PHE CA C 13 62.177 0.053 . . . . . . B 2100 PHE CA . 34187 1 830 . 2 2 41 41 PHE CB C 13 40.32 0.024 . . . . . . B 2100 PHE CB . 34187 1 831 . 2 2 41 41 PHE N N 15 120.291 0.116 . . . . . . B 2100 PHE N . 34187 1 832 . 2 2 42 42 ILE H H 1 8.6 0.004 . . . . . . B 2101 ILE H . 34187 1 833 . 2 2 42 42 ILE HA H 1 3.469 0.011 . . . . . . B 2101 ILE HA . 34187 1 834 . 2 2 42 42 ILE HB H 1 1.916 0.018 . . . . . . B 2101 ILE HB . 34187 1 835 . 2 2 42 42 ILE HG12 H 1 1.132 0.009 . . . . . . B 2101 ILE HG12 . 34187 1 836 . 2 2 42 42 ILE HG13 H 1 1.182 0.005 . . . . . . B 2101 ILE HG13 . 34187 1 837 . 2 2 42 42 ILE HG21 H 1 0.887 0.004 . . . . . . B 2101 ILE HG21 . 34187 1 838 . 2 2 42 42 ILE HG22 H 1 0.887 0.004 . . . . . . B 2101 ILE HG22 . 34187 1 839 . 2 2 42 42 ILE HG23 H 1 0.887 0.004 . . . . . . B 2101 ILE HG23 . 34187 1 840 . 2 2 42 42 ILE HD11 H 1 0.927 0.009 . . . . . . B 2101 ILE HD11 . 34187 1 841 . 2 2 42 42 ILE HD12 H 1 0.927 0.009 . . . . . . B 2101 ILE HD12 . 34187 1 842 . 2 2 42 42 ILE HD13 H 1 0.927 0.009 . . . . . . B 2101 ILE HD13 . 34187 1 843 . 2 2 42 42 ILE CA C 13 65.617 0.051 . . . . . . B 2101 ILE CA . 34187 1 844 . 2 2 42 42 ILE CB C 13 38.167 0.031 . . . . . . B 2101 ILE CB . 34187 1 845 . 2 2 42 42 ILE CG2 C 13 17.05 0 . . . . . . B 2101 ILE CG2 . 34187 1 846 . 2 2 42 42 ILE CD1 C 13 13.608 0.096 . . . . . . B 2101 ILE CD1 . 34187 1 847 . 2 2 42 42 ILE N N 15 118.497 0.125 . . . . . . B 2101 ILE N . 34187 1 848 . 2 2 43 43 LYS H H 1 7.958 0.003 . . . . . . B 2102 LYS H . 34187 1 849 . 2 2 43 43 LYS HA H 1 3.953 0.005 . . . . . . B 2102 LYS HA . 34187 1 850 . 2 2 43 43 LYS HB2 H 1 1.891 0 . . . . . . B 2102 LYS HB2 . 34187 1 851 . 2 2 43 43 LYS HB3 H 1 1.891 0 . . . . . . B 2102 LYS HB3 . 34187 1 852 . 2 2 43 43 LYS HG2 H 1 1.45 0 . . . . . . B 2102 LYS HG2 . 34187 1 853 . 2 2 43 43 LYS HG3 H 1 1.352 0 . . . . . . B 2102 LYS HG3 . 34187 1 854 . 2 2 43 43 LYS HD2 H 1 1.446 0 . . . . . . B 2102 LYS HD2 . 34187 1 855 . 2 2 43 43 LYS HD3 H 1 1.446 0 . . . . . . B 2102 LYS HD3 . 34187 1 856 . 2 2 43 43 LYS CA C 13 59.658 0 . . . . . . B 2102 LYS CA . 34187 1 857 . 2 2 43 43 LYS CB C 13 32.187 0.007 . . . . . . B 2102 LYS CB . 34187 1 858 . 2 2 43 43 LYS CG C 13 24.898 0.008 . . . . . . B 2102 LYS CG . 34187 1 859 . 2 2 43 43 LYS N N 15 120.899 0.092 . . . . . . B 2102 LYS N . 34187 1 860 . 2 2 44 44 GLN H H 1 7.899 0.005 . . . . . . B 2103 GLN H . 34187 1 861 . 2 2 44 44 GLN HA H 1 3.921 0.003 . . . . . . B 2103 GLN HA . 34187 1 862 . 2 2 44 44 GLN HB2 H 1 1.865 0 . . . . . . B 2103 GLN HB2 . 34187 1 863 . 2 2 44 44 GLN HB3 H 1 1.849 0.016 . . . . . . B 2103 GLN HB3 . 34187 1 864 . 2 2 44 44 GLN HG2 H 1 2.106 0 . . . . . . B 2103 GLN HG2 . 34187 1 865 . 2 2 44 44 GLN HG3 H 1 2.106 0 . . . . . . B 2103 GLN HG3 . 34187 1 866 . 2 2 44 44 GLN HE21 H 1 7.433 0 . . . . . . B 2103 GLN HE21 . 34187 1 867 . 2 2 44 44 GLN HE22 H 1 6.846 0 . . . . . . B 2103 GLN HE22 . 34187 1 868 . 2 2 44 44 GLN CA C 13 59.37 0.022 . . . . . . B 2103 GLN CA . 34187 1 869 . 2 2 44 44 GLN CB C 13 27.185 0.074 . . . . . . B 2103 GLN CB . 34187 1 870 . 2 2 44 44 GLN N N 15 119.46 0.15 . . . . . . B 2103 GLN N . 34187 1 871 . 2 2 44 44 GLN NE2 N 15 111.497 0 . . . . . . B 2103 GLN NE2 . 34187 1 872 . 2 2 45 45 ARG H H 1 8.064 0.005 . . . . . . B 2104 ARG H . 34187 1 873 . 2 2 45 45 ARG HA H 1 3.883 0.016 . . . . . . B 2104 ARG HA . 34187 1 874 . 2 2 45 45 ARG HB2 H 1 1.855 0 . . . . . . B 2104 ARG HB2 . 34187 1 875 . 2 2 45 45 ARG HB3 H 1 1.855 0 . . . . . . B 2104 ARG HB3 . 34187 1 876 . 2 2 45 45 ARG HG2 H 1 1.629 0.03 . . . . . . B 2104 ARG HG2 . 34187 1 877 . 2 2 45 45 ARG HG3 H 1 1.629 0.03 . . . . . . B 2104 ARG HG3 . 34187 1 878 . 2 2 45 45 ARG HD2 H 1 3.105 0 . . . . . . B 2104 ARG HD2 . 34187 1 879 . 2 2 45 45 ARG HD3 H 1 3.105 0 . . . . . . B 2104 ARG HD3 . 34187 1 880 . 2 2 45 45 ARG CA C 13 56.196 0.005 . . . . . . B 2104 ARG CA . 34187 1 881 . 2 2 45 45 ARG CB C 13 28.373 0.016 . . . . . . B 2104 ARG CB . 34187 1 882 . 2 2 45 45 ARG CG C 13 26.928 0 . . . . . . B 2104 ARG CG . 34187 1 883 . 2 2 45 45 ARG N N 15 116.456 0.077 . . . . . . B 2104 ARG N . 34187 1 884 . 2 2 46 46 SER H H 1 8.01 0.006 . . . . . . B 2105 SER H . 34187 1 885 . 2 2 46 46 SER HA H 1 4.265 0.004 . . . . . . B 2105 SER HA . 34187 1 886 . 2 2 46 46 SER HB2 H 1 3.908 0.017 . . . . . . B 2105 SER HB2 . 34187 1 887 . 2 2 46 46 SER HB3 H 1 3.938 0.033 . . . . . . B 2105 SER HB3 . 34187 1 888 . 2 2 46 46 SER HG H 1 4.769 0 . . . . . . B 2105 SER HG . 34187 1 889 . 2 2 46 46 SER CA C 13 60.214 0.04 . . . . . . B 2105 SER CA . 34187 1 890 . 2 2 46 46 SER CB C 13 63.578 0.021 . . . . . . B 2105 SER CB . 34187 1 891 . 2 2 46 46 SER N N 15 113.6 0.024 . . . . . . B 2105 SER N . 34187 1 892 . 2 2 47 47 GLN H H 1 7.574 0.003 . . . . . . B 2106 GLN H . 34187 1 893 . 2 2 47 47 GLN HA H 1 4.243 0.005 . . . . . . B 2106 GLN HA . 34187 1 894 . 2 2 47 47 GLN HB2 H 1 2.007 0.017 . . . . . . B 2106 GLN HB2 . 34187 1 895 . 2 2 47 47 GLN HB3 H 1 1.988 0.01 . . . . . . B 2106 GLN HB3 . 34187 1 896 . 2 2 47 47 GLN HG2 H 1 2.358 0.01 . . . . . . B 2106 GLN HG2 . 34187 1 897 . 2 2 47 47 GLN HG3 H 1 2.358 0.01 . . . . . . B 2106 GLN HG3 . 34187 1 898 . 2 2 47 47 GLN HE21 H 1 7.412 0 . . . . . . B 2106 GLN HE21 . 34187 1 899 . 2 2 47 47 GLN HE22 H 1 6.414 0 . . . . . . B 2106 GLN HE22 . 34187 1 900 . 2 2 47 47 GLN CA C 13 56.283 0.04 . . . . . . B 2106 GLN CA . 34187 1 901 . 2 2 47 47 GLN CB C 13 29.032 0.013 . . . . . . B 2106 GLN CB . 34187 1 902 . 2 2 47 47 GLN CG C 13 33.828 0 . . . . . . B 2106 GLN CG . 34187 1 903 . 2 2 47 47 GLN N N 15 119.595 0.065 . . . . . . B 2106 GLN N . 34187 1 904 . 2 2 47 47 GLN NE2 N 15 109.046 0 . . . . . . B 2106 GLN NE2 . 34187 1 905 . 2 2 48 48 HIS H H 1 8.041 0.003 . . . . . . B 2107 HIS H . 34187 1 906 . 2 2 48 48 HIS HA H 1 4.683 0.005 . . . . . . B 2107 HIS HA . 34187 1 907 . 2 2 48 48 HIS HB2 H 1 3.072 0.003 . . . . . . B 2107 HIS HB2 . 34187 1 908 . 2 2 48 48 HIS HB3 H 1 3.349 0.003 . . . . . . B 2107 HIS HB3 . 34187 1 909 . 2 2 48 48 HIS CA C 13 55.431 0.034 . . . . . . B 2107 HIS CA . 34187 1 910 . 2 2 48 48 HIS CB C 13 28.875 0.017 . . . . . . B 2107 HIS CB . 34187 1 911 . 2 2 48 48 HIS N N 15 118.27 0.2 . . . . . . B 2107 HIS N . 34187 1 912 . 2 2 49 49 GLN H H 1 8.203 0.002 . . . . . . B 2108 GLN H . 34187 1 913 . 2 2 49 49 GLN HA H 1 4.311 0.006 . . . . . . B 2108 GLN HA . 34187 1 914 . 2 2 49 49 GLN HB2 H 1 2.114 0 . . . . . . B 2108 GLN HB2 . 34187 1 915 . 2 2 49 49 GLN HB3 H 1 1.949 0.005 . . . . . . B 2108 GLN HB3 . 34187 1 916 . 2 2 49 49 GLN HG2 H 1 2.336 0.016 . . . . . . B 2108 GLN HG2 . 34187 1 917 . 2 2 49 49 GLN HG3 H 1 2.336 0.016 . . . . . . B 2108 GLN HG3 . 34187 1 918 . 2 2 49 49 GLN CA C 13 55.859 0.037 . . . . . . B 2108 GLN CA . 34187 1 919 . 2 2 49 49 GLN CB C 13 29.563 0.018 . . . . . . B 2108 GLN CB . 34187 1 920 . 2 2 49 49 GLN N N 15 121.519 0.042 . . . . . . B 2108 GLN N . 34187 1 921 . 2 2 50 50 GLN H H 1 8.075 0.002 . . . . . . B 2109 GLN H . 34187 1 922 . 2 2 50 50 GLN HA H 1 4.139 0.007 . . . . . . B 2109 GLN HA . 34187 1 923 . 2 2 50 50 GLN HB2 H 1 2.093 0.01 . . . . . . B 2109 GLN HB2 . 34187 1 924 . 2 2 50 50 GLN HB3 H 1 1.917 0.005 . . . . . . B 2109 GLN HB3 . 34187 1 925 . 2 2 50 50 GLN HG2 H 1 2.294 0.003 . . . . . . B 2109 GLN HG2 . 34187 1 926 . 2 2 50 50 GLN HG3 H 1 2.294 0.003 . . . . . . B 2109 GLN HG3 . 34187 1 927 . 2 2 50 50 GLN CA C 13 57.397 0.008 . . . . . . B 2109 GLN CA . 34187 1 928 . 2 2 50 50 GLN CB C 13 30.259 0.085 . . . . . . B 2109 GLN CB . 34187 1 929 . 2 2 50 50 GLN CG C 13 34.336 0.037 . . . . . . B 2109 GLN CG . 34187 1 930 . 2 2 50 50 GLN N N 15 126.416 0.017 . . . . . . B 2109 GLN N . 34187 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 34187 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '3D 1H-1H NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 # FORMAT xeasy3D # INAME 1 C # INAME 2 H # INAME 3 HC # SPECTRUM C13NOESY C H HC 1 46.070 3.760 3.759 3 U 3.920E+09 0.000E+00 a 0 CA.A35 QA.A35 QA.A35 #VC 0.50527 #SUP 1.00 1 46.070 3.760 3.759 3 U 3.920E+09 0.000E+00 a 0 CA.A45 QA.A45 QA.A45 #VC 0.49473 #QU 0.979 #SUP 1.00 2 45.390 3.967 3.969 1 U 5.349E+09 0.000E+00 a 0 CA.A44 QA.A44 QA.A44 #QU 0.998 #SUP 1.00 3 60.820 4.317 4.317 1 U 6.877E+08 0.000E+00 a 0 CA.A20 HA.A20 HA.A20 #QU 0.997 #SUP 1.00 4 61.420 4.204 4.202 1 U 6.084E+08 0.000E+00 a 0 CA.A17 HA.A17 HA.A17 #QU 0.994 #SUP 0.99 5 62.890 3.966 3.962 1 U 2.114E+09 0.000E+00 a 0 CB.A17 HB2.A17 HB2.A17 #VC 0.61981 #QU 0.998 #SUP 1.00 5 62.890 3.966 3.962 1 U 2.114E+09 0.000E+00 a 0 CB.A17 HB3.A17 HB3.A17 #VC 0.38019 #QU 0.612 #SUP 1.00 6 62.890 3.986 3.983 1 U 2.122E+09 0.000E+00 a 0 CB.A17 HB2.A17 HB2.A17 #VC 0.37320 #QU 0.595 #SUP 1.00 6 62.890 3.986 3.983 1 U 2.122E+09 0.000E+00 a 0 CB.A17 HB3.A17 HB3.A17 #VC 0.62680 #QU 0.999 #SUP 1.00 7 58.296 4.656 4.669 1 U 1.823E+08 0.000E+00 a 0 CA.A21 HA.A21 HA.A21 #QU 0.974 #SUP 0.97 10 55.080 4.563 4.562 1 U 9.922E+08 0.000E+00 a 0 CA.A7 HA.A7 HA.A7 #QU 0.997 #SUP 1.00 11 55.080 4.418 4.415 1 U 9.350E+08 0.000E+00 a 0 CA.A37 HA.A37 HA.A37 #QU 0.992 #SUP 0.99 12 54.850 4.211 4.213 1 U 1.132E+09 0.000E+00 a 0 CA.A10 HA.A10 HA.A10 #QU 0.999 #SUP 1.00 13 54.850 4.152 4.149 1 U 7.631E+08 0.000E+00 a 0 CA.A33 HA.A33 HA.A33 #QU 0.998 #SUP 1.00 14 62.890 4.070 4.068 1 U 1.577E+09 0.000E+00 a 0 CA.A40 HA.A40 HA.A40 #QU 0.996 #SUP 1.00 15 62.890 4.075 2.108 4 U 1.865E+06 0.000E+00 a 0 - - - 17 57.340 4.336 4.333 1 U 3.585E+09 0.000E+00 a 0 CA.A3 HA.A3 HA.A3 #QU 0.992 #SUP 0.99 18 29.840 2.003 2.002 1 U 2.968E+09 0.000E+00 a 0 CB.A3 HB2.A3 HB2.A3 #QU 0.997 #SUP 1.00 19 29.840 2.132 2.001 1 U 1.352E+09 0.000E+00 a 0 CB.A3 HB3.A3 HB2.A3 #QU 0.996 #SUP 1.00 20 29.840 2.130 2.129 1 U 3.180E+09 0.000E+00 a 0 CB.A3 HB3.A3 HB3.A3 #QU 0.999 #SUP 1.00 21 29.840 2.003 2.131 1 U 1.763E+09 0.000E+00 a 0 CB.A3 HB2.A3 HB3.A3 #QU 0.999 #SUP 1.00 22 33.883 2.382 2.379 1 U 1.158E+10 0.000E+00 a 0 CG.A3 QG.A3 QG.A3 #VC 0.50833 #QU 0.996 #SUP 1.00 22 33.883 2.382 2.379 1 U 1.158E+10 0.000E+00 a 0 CG.A43 QG.A43 QG.A43 #VC 0.49167 #QU 0.964 #SUP 1.00 23 58.250 3.986 3.984 1 U 1.048E+09 0.000E+00 a 0 CA.A12 HA.A12 HA.A12 #QU 0.994 #SUP 0.99 24 65.270 3.658 3.652 1 U 7.157E+08 0.000E+00 a 0 CA.A30 HA.A30 HA.A30 #QU 0.985 #SUP 0.98 25 37.330 2.176 2.169 1 U 2.903E+08 0.000E+00 a 0 CB.A30 HB.A30 HB.A30 #QU 0.996 #SUP 1.00 26 12.930 0.858 0.856 1 U 2.307E+09 0.000E+00 a 0 CD1.A30 QD1.A30 QD1.A30 #QU 0.990 #SUP 0.99 27 18.194 0.763 0.764 1 U 1.658E+09 0.000E+00 a 0 CG2.A30 QG2.A30 QG2.A30 #SUP 1.00 28 13.660 0.931 0.928 1 U 2.854E+09 0.000E+00 a 0 CD1.A36 QD1.A36 QD1.A36 #QU 0.998 #SUP 1.00 30 17.360 0.836 0.835 3 U 3.376E+09 0.000E+00 a 0 CG2.A36 QG2.A36 QG2.A36 #QU 0.993 #SUP 0.99 31 27.750 1.295 1.499 1 U 1.222E+08 0.000E+00 a 0 CG1.A36 HG13.A36 HG12.A36 #QU 0.996 #SUP 1.00 32 27.750 1.502 1.506 1 U 2.232E+08 0.000E+00 a 0 CG1.A36 HG12.A36 HG12.A36 #QU 0.995 #SUP 0.99 33 27.750 1.293 1.289 1 U 1.797E+08 0.000E+00 a 0 CG1.A36 HG13.A36 HG13.A36 #QU 0.998 #SUP 1.00 34 27.750 1.500 1.292 1 U 1.054E+08 0.000E+00 a 0 CG1.A36 HG12.A36 HG13.A36 #QU 0.999 #SUP 1.00 35 37.930 1.923 1.922 1 U 3.037E+08 0.000E+00 a 0 CB.A36 HB.A36 HB.A36 #QU 0.991 #SUP 0.99 36 29.157 1.747 1.743 1 U 8.643E+08 0.000E+00 a 0 CD.A9 HD2.A9 HD2.A9 #VC 0.45721 #QU 0.838 #SUP 1.00 36 29.157 1.747 1.743 1 U 8.643E+08 0.000E+00 a 0 CG1.A30 HG12.A30 HG12.A30 #VC 0.54279 #QU 0.995 #SUP 1.00 37 29.157 1.060 1.056 3 U 9.820E+07 0.000E+00 a 0 CG1.A30 HG13.A30 HG13.A30 #QU 0.995 #SUP 0.99 38 29.000 2.150 2.146 3 U 3.374E+09 0.000E+00 a 0 CB.A5 HB2.A5 HB2.A5 #VC 0.30913 #QU 0.926 #SUP 1.00 38 29.000 2.150 2.146 3 U 3.374E+09 0.000E+00 a 0 CB.A29 QB.A29 QB.A29 #VC 0.28848 #QU 0.864 #SUP 1.00 38 29.000 2.150 2.146 3 U 3.374E+09 0.000E+00 a 0 CB.A42 HB2.A42 HB2.A42 #VC 0.20245 #QU 0.606 #SUP 1.00 38 29.000 2.150 2.146 3 U 3.374E+09 0.000E+00 a 0 CB.A43 HB2.A43 HB2.A43 #VC 0.19995 #QU 0.599 #SUP 1.00 39 29.000 2.014 2.010 3 U 2.879E+09 0.000E+00 a 0 CB.A5 HB3.A5 HB3.A5 #VC 0.39469 #QU 0.801 #SUP 0.97 39 29.000 2.014 2.010 3 U 2.879E+09 0.000E+00 a 0 CB.A42 HB3.A42 HB3.A42 #VC 0.30309 #QU 0.615 #SUP 0.97 39 29.000 2.014 2.010 3 U 2.879E+09 0.000E+00 a 0 CB.A43 HB3.A43 HB3.A43 #VC 0.30222 #QU 0.613 #SUP 0.97 40 29.000 2.159 2.008 3 U 1.474E+09 0.000E+00 a 0 CB.A5 HB2.A5 HB3.A5 #VC 0.43749 #QU 0.855 #SUP 0.97 40 29.000 2.159 2.008 3 U 1.474E+09 0.000E+00 a 0 CB.A42 HB2.A42 HB3.A42 #VC 0.26426 #QU 0.516 #SUP 0.97 40 29.000 2.159 2.008 3 U 1.474E+09 0.000E+00 a 0 CB.A43 HB2.A43 HB3.A43 #VC 0.29825 #QU 0.583 #SUP 0.97 41 29.000 2.007 2.155 3 U 1.350E+09 0.000E+00 a 0 CB.A5 HB3.A5 HB2.A5 #VC 0.43511 #QU 0.895 #SUP 0.98 41 29.000 2.007 2.155 3 U 1.350E+09 0.000E+00 a 0 CB.A42 HB3.A42 HB2.A42 #VC 0.27493 #QU 0.565 #SUP 0.98 41 29.000 2.007 2.155 3 U 1.350E+09 0.000E+00 a 0 CB.A43 HB3.A43 HB2.A43 #VC 0.28996 #QU 0.596 #SUP 0.98 42 59.322 3.982 3.983 1 U 1.118E+09 0.000E+00 a 0 CA.A9 HA.A9 HA.A9 #QU 0.964 #SUP 0.96 43 59.320 8.076 3.984 1 U 6.758E+07 0.000E+00 a 0 CA.A9 H.A9 HA.A9 #QU 0.988 #SUP 0.99 44 59.320 8.434 3.977 4 U 5.696E+07 0.000E+00 a 0 - - - 45 59.320 3.985 1.889 4 U 6.724E+05 0.000E+00 a 0 - - - 46 59.320 3.976 2.237 4 U 4.984E+06 0.000E+00 a 0 - - - 47 59.320 3.976 2.078 4 U 1.452E+06 0.000E+00 a 0 - - - 48 32.170 1.889 1.884 1 U 1.217E+09 0.000E+00 a 0 CB.A9 QB.A9 QB.A9 #VC 0.62630 #QU 0.992 #SUP 1.00 48 32.170 1.889 1.884 1 U 1.217E+09 0.000E+00 a 0 CB.A38 QB.A38 QB.A38 #VC 0.37370 #QU 0.592 #SUP 1.00 49 28.880 1.650 1.642 1 U 2.396E+09 0.000E+00 a 0 CD.A9 HD3.A9 HD3.A9 #QU 0.990 #SUP 0.99 50 24.940 1.477 1.469 3 U 1.107E+09 0.000E+00 a 0 CG.A9 HG2.A9 HG2.A9 #VC 0.50038 #QU 0.994 #SUP 1.00 50 24.940 1.477 1.469 3 U 1.107E+09 0.000E+00 a 0 CG.A9 HG3.A9 HG3.A9 #VC 0.49962 #QU 0.993 #SUP 1.00 51 23.390 0.851 0.849 1 U 1.136E+10 0.000E+00 a 0 CD1.A12 QQD.A12 QQD.A12 #QU 0.995 #SUP 1.00 52 26.670 7.144 0.771 4 U 4.518E+07 0.000E+00 a 0 - - - 53 26.670 8.053 0.776 1 U 3.390E+07 0.000E+00 a 0 CD1.A34 H.A34 QQD.A34 #SUP 1.00 54 26.670 1.848 0.773 1 U 8.609E+07 0.000E+00 a 0 CD1.A34 HB2.A34 QQD.A34 #QU 0.991 #SUP 0.99 55 26.670 1.602 0.778 3 U 3.382E+07 0.000E+00 a 0 CD1.A34 HB3.A34 QQD.A34 #VC 0.50379 #SUP 1.00 55 26.670 1.602 0.778 3 U 3.382E+07 0.000E+00 a 0 CD1.A34 HG.A34 QQD.A34 #VC 0.49621 #QU 0.985 #SUP 1.00 56 26.670 0.775 0.780 1 U 1.103E+09 0.000E+00 a 0 CD1.A34 QQD.A34 QQD.A34 #QU 0.998 #SUP 1.00 57 57.560 4.276 4.264 1 U 1.140E+09 0.000E+00 a 0 CA.A31 HA.A31 HA.A31 #QU 0.937 #SUP 0.94 58 40.100 2.828 2.822 1 U 6.615E+08 0.000E+00 a 0 CB.A13 HB2.A13 HB2.A13 #QU 0.996 #SUP 1.00 59 40.100 2.699 2.703 1 U 7.071E+08 0.000E+00 a 0 CB.A13 HB3.A13 HB3.A13 #QU 0.993 #SUP 0.99 60 40.100 2.702 2.825 1 U 5.096E+08 0.000E+00 a 0 CB.A13 HB3.A13 HB2.A13 #QU 0.996 #SUP 1.00 61 40.100 2.830 2.696 1 U 3.339E+08 0.000E+00 a 0 CB.A13 HB2.A13 HB3.A13 #QU 0.999 #SUP 1.00 62 40.100 2.612 2.609 1 U 1.306E+09 0.000E+00 a 0 CB.A37 QB.A37 QB.A37 #QU 0.999 #SUP 1.00 63 40.100 8.619 2.613 1 U 6.351E+07 0.000E+00 a 0 CB.A37 H.A37 QB.A37 #QU 0.998 #SUP 1.00 64 40.100 7.891 2.611 1 U 3.123E+07 0.000E+00 a 0 CB.A37 H.A38 QB.A37 #QU 0.979 #SUP 0.98 65 40.100 4.417 2.608 3 U 1.260E+08 0.000E+00 a 0 CB.A37 HA.A37 QB.A37 #QU 0.997 #SUP 1.00 66 42.483 2.763 2.767 2 U 7.075E+08 0.000E+00 a 0 CB.A23 HB2.A23 HB2.A23 #VC 0.69967 #QU 0.988 #SUP 0.99 66 42.483 2.763 2.767 2 U 7.075E+08 0.000E+00 a 0 CB.A23 HB3.A23 HB3.A23 #VC 0.30033 #QU 0.424 #SUP 0.99 67 42.483 2.729 2.726 1 U 7.803E+08 0.000E+00 a 0 CB.A23 HB3.A23 HB3.A23 #QU 0.872 #SUP 0.87 68 42.406 8.609 2.770 1 U 6.124E+07 0.000E+00 a 0 CB.A23 H.A23 HB2.A23 #VC 0.63548 #QU 0.887 #SUP 0.94 68 42.406 8.609 2.770 1 U 6.124E+07 0.000E+00 a 0 CB.A23 H.A23 HB3.A23 #VC 0.36452 #QU 0.500 #SUP 0.94 69 42.406 8.613 2.731 1 U 6.330E+07 0.000E+00 a 0 CB.A23 H.A23 HB2.A23 #VC 0.25835 #QU 0.498 #SUP 0.95 69 42.406 8.613 2.731 1 U 6.330E+07 0.000E+00 a 0 CB.A23 H.A23 HB3.A23 #VC 0.44229 #QU 0.868 #SUP 0.95 69 42.406 8.613 2.731 1 U 6.330E+07 0.000E+00 a 0 CB.A23 H.A25 HB3.A23 #VC 0.29936 #QU 0.210 #SUP 0.95 70 63.770 3.891 3.894 3 U 6.916E+09 0.000E+00 a 0 CB.A4 HB2.A4 HB2.A4 #VC 0.20377 #QU 0.594 #SUP 1.00 70 63.770 3.891 3.894 3 U 6.916E+09 0.000E+00 a 0 CB.A4 HB3.A4 HB3.A4 #VC 0.11501 #QU 0.335 #SUP 1.00 70 63.770 3.891 3.894 3 U 6.916E+09 0.000E+00 a 0 CB.A41 HB2.A41 HB2.A41 #VC 0.34129 #QU 0.995 #SUP 1.00 70 63.770 3.891 3.894 3 U 6.916E+09 0.000E+00 a 0 CB.A41 HB3.A41 HB3.A41 #VC 0.33993 #QU 0.991 #SUP 1.00 71 58.730 4.440 4.439 1 U 2.823E+09 0.000E+00 a 0 CA.A4 HA.A4 HA.A4 #VC 0.73209 #QU 0.996 #SUP 1.00 71 58.730 4.440 4.439 1 U 2.823E+09 0.000E+00 a 0 CA.A41 HA.A41 HA.A41 #VC 0.26791 #QU 0.364 #SUP 1.00 72 58.730 3.886 4.439 3 U 1.139E+08 0.000E+00 a 0 CA.A4 HB2.A4 HA.A4 #VC 0.33575 #QU 0.645 #SUP 0.95 72 58.730 3.886 4.439 3 U 1.139E+08 0.000E+00 a 0 CA.A41 HB2.A41 HA.A41 #VC 0.33148 #QU 0.637 #SUP 0.95 72 58.730 3.886 4.439 3 U 1.139E+08 0.000E+00 a 0 CA.A41 HB3.A41 HA.A41 #VC 0.33277 #QU 0.640 #SUP 0.95 73 63.804 3.928 3.924 3 U 3.907E+09 0.000E+00 a 0 CB.A4 HB2.A4 HB2.A4 #VC 0.46621 #QU 0.857 #SUP 1.00 73 63.804 3.928 3.924 3 U 3.907E+09 0.000E+00 a 0 CB.A4 HB3.A4 HB3.A4 #VC 0.53379 #QU 0.981 #SUP 1.00 74 57.800 4.098 4.102 1 U 9.981E+08 0.000E+00 a 0 CA.A11 HA.A11 HA.A11 #VC 0.62724 #QU 0.998 #SUP 1.00 74 57.800 4.098 4.102 1 U 9.981E+08 0.000E+00 a 0 CA.A19 HA.A19 HA.A19 #VC 0.37276 #QU 0.593 #SUP 1.00 75 25.664 7.149 0.667 4 U 2.783E+07 0.000E+00 a 0 - - - 76 25.664 7.146 0.778 4 U 2.323E+07 0.000E+00 a 0 - - - 77 25.664 8.036 0.775 4 U 2.330E+07 0.000E+00 a 0 - - - 78 40.041 2.475 2.471 1 U 1.292E+08 0.000E+00 a 0 CB.A31 HB3.A31 HB3.A31 #QU 0.999 #SUP 1.00 79 40.041 2.942 2.949 1 U 1.343E+08 0.000E+00 a 0 CB.A31 HB2.A31 HB2.A31 #QU 0.994 #SUP 0.99 80 40.041 2.952 2.466 1 U 1.022E+08 0.000E+00 a 0 CB.A31 HB2.A31 HB3.A31 #QU 0.990 #SUP 0.99 81 40.041 2.473 2.951 1 U 8.802E+07 0.000E+00 a 0 CB.A31 HB3.A31 HB2.A31 #QU 0.999 #SUP 1.00 82 40.041 8.649 2.466 1 U 2.177E+07 0.000E+00 a 0 CB.A31 H.A31 HB3.A31 #VC 0.52349 #QU 0.583 #SUP 0.68 82 40.041 8.649 2.466 1 U 2.177E+07 0.000E+00 a 0 CB.A31 H.A37 HB3.A31 #VC 0.47651 #QU 0.224 #SUP 0.68 83 40.041 8.663 2.945 1 U 2.991E+07 0.000E+00 a 0 CB.A31 H.A31 HB2.A31 #QU 0.914 #SUP 0.91 84 40.041 7.880 2.954 1 U 2.332E+07 0.000E+00 a 0 CB.A31 H.A32 HB2.A31 #QU 0.787 #SUP 0.79 85 40.041 7.885 2.471 1 U 1.948E+07 0.000E+00 a 0 CB.A31 H.A32 HB3.A31 #QU 0.903 #SUP 0.90 86 43.347 3.248 3.241 3 U 1.193E+09 0.000E+00 a 0 CD.A32 HD2.A32 HD2.A32 #VC 0.50000 #QU 0.994 #SUP 1.00 86 43.347 3.248 3.241 3 U 1.193E+09 0.000E+00 a 0 CD.A32 HD3.A32 HD3.A32 #VC 0.50000 #QU 0.994 #SUP 1.00 87 43.347 7.905 3.250 3 U 2.211E+07 0.000E+00 a 0 CD.A32 H.A32 HD2.A32 #VC 0.43670 #QU 0.593 #SUP 0.90 87 43.347 7.905 3.250 3 U 2.211E+07 0.000E+00 a 0 CD.A32 H.A32 HD3.A32 #VC 0.56330 #QU 0.755 #SUP 0.90 88 32.507 2.724 2.721 1 U 5.692E+08 0.000E+00 a 0 CG.A25 HG2.A25 HG2.A25 #QU 0.997 #SUP 1.00 89 32.507 2.609 2.606 1 U 5.771E+08 0.000E+00 a 0 CG.A25 HG3.A25 HG3.A25 #QU 0.997 #SUP 1.00 90 32.507 2.597 2.723 1 U 4.001E+08 0.000E+00 a 0 CG.A25 HG3.A25 HG2.A25 #QU 0.982 #SUP 0.98 91 32.507 2.726 2.601 1 U 3.883E+08 0.000E+00 a 0 CG.A25 HG2.A25 HG3.A25 #QU 0.989 #SUP 0.99 92 32.507 8.585 2.718 1 U 2.344E+07 0.000E+00 a 0 CG.A25 H.A25 HG2.A25 #QU 0.988 #SUP 0.99 93 32.507 8.588 2.603 1 U 2.675E+07 0.000E+00 a 0 CG.A25 H.A25 HG3.A25 #QU 0.974 #SUP 0.97 94 58.108 8.589 4.370 1 U 3.849E+07 0.000E+00 a 0 CA.A25 H.A25 HA.A25 #QU 0.985 #SUP 0.98 95 58.108 4.363 4.358 1 U 9.485E+08 0.000E+00 a 0 CA.A25 HA.A25 HA.A25 #QU 0.965 #SUP 0.97 96 40.810 1.361 1.359 4 U 7.277E+07 0.000E+00 a 0 - - - 97 40.656 1.852 1.354 4 U 6.379E+07 0.000E+00 a 0 - - - 98 41.271 1.884 1.881 1 U 3.185E+08 0.000E+00 a 0 CB.A12 HB2.A12 HB2.A12 #QU 0.998 #SUP 1.00 99 41.271 8.406 1.885 3 U 4.747E+07 0.000E+00 a 0 CB.A12 H.A13 HB2.A12 #QU 0.634 #SUP 0.63 100 41.271 8.416 1.632 4 U 4.456E+07 0.000E+00 a 0 - - - 101 41.271 8.261 1.883 3 U 4.535E+07 0.000E+00 a 0 CB.A12 H.A12 HB2.A12 #QU 0.917 #SUP 0.92 102 41.271 3.993 1.630 3 U 6.082E+07 0.000E+00 a 0 CB.A12 HA.A12 HB3.A12 #QU 0.974 #SUP 0.97 103 41.271 3.996 1.881 3 U 5.992E+07 0.000E+00 a 0 CB.A12 HA.A9 HB2.A12 #VC 0.50378 #QU 0.915 #SUP 1.00 103 41.271 3.996 1.881 3 U 5.992E+07 0.000E+00 a 0 CB.A12 HA.A12 HB2.A12 #VC 0.49622 #QU 0.975 #SUP 1.00 104 41.271 0.871 1.630 3 U 1.226E+08 0.000E+00 a 0 CB.A12 QQD.A12 HB3.A12 #VC 0.72329 #QU 0.815 #SUP 0.87 104 41.271 0.871 1.630 3 U 1.226E+08 0.000E+00 a 0 CB.A27 QQD.A27 QB.A27 #VC 0.27671 #QU 0.312 #SUP 0.87 105 41.271 0.875 1.869 3 U 1.121E+08 0.000E+00 a 0 CB.A12 QQD.A12 HB2.A12 #QU 0.627 #SUP 0.63 106 41.271 1.635 1.628 1 U 3.426E+08 0.000E+00 a 0 CB.A12 HB3.A12 HB3.A12 #QU 0.971 #SUP 0.97 107 41.271 1.886 1.630 3 U 1.861E+08 0.000E+00 a 0 CB.A12 HB2.A12 HB3.A12 #QU 0.986 #SUP 0.99 108 41.271 1.637 1.883 1 U 1.812E+08 0.000E+00 a 0 CB.A12 HB3.A12 HB2.A12 #SUP 1.00 109 41.271 8.256 1.632 3 U 3.119E+07 0.000E+00 a 0 CB.A12 H.A12 HB3.A12 #QU 0.809 #SUP 0.81 110 25.741 0.680 0.670 1 U 1.155E+09 0.000E+00 a 0 CD1.A19 QD1.A19 QD1.A19 #QU 0.990 #SUP 0.99 111 25.741 0.874 0.677 3 U 1.725E+08 0.000E+00 a 0 CD1.A19 QQD.A27 QD1.A19 #QU 0.351 #SUP 0.35 112 25.741 1.836 0.670 3 U 8.718E+07 0.000E+00 a 0 CD1.A19 HB2.A19 QD1.A19 #VC 0.48877 #QU 0.949 #SUP 1.00 112 25.741 1.836 0.670 3 U 8.718E+07 0.000E+00 a 0 CD1.A19 HB3.A19 QD1.A19 #VC 0.51123 #QU 0.993 #SUP 1.00 113 25.741 1.367 0.674 1 U 2.589E+07 0.000E+00 a 0 CD1.A19 HG.A19 QD1.A19 #QU 0.974 #SUP 0.97 114 25.664 4.107 0.667 1 U 1.841E+07 0.000E+00 a 0 CD1.A19 HA.A19 QD1.A19 #QU 0.980 #SUP 0.98 115 23.150 0.788 0.782 1 U 5.857E+09 0.000E+00 a 0 CD2.A19 QD2.A19 QD2.A19 #QU 0.998 #SUP 1.00 116 23.150 1.345 0.786 1 U 5.272E+07 0.000E+00 a 0 CD2.A19 HG.A19 QD2.A19 #QU 0.956 #SUP 0.96 117 23.150 1.830 0.786 3 U 2.744E+08 0.000E+00 a 0 CD2.A19 HB2.A19 QD2.A19 #VC 0.49853 #QU 0.994 #SUP 1.00 117 23.150 1.830 0.786 3 U 2.744E+08 0.000E+00 a 0 CD2.A19 HB3.A19 QD2.A19 #VC 0.50147 #SUP 1.00 118 23.150 1.584 0.784 4 U 1.071E+08 0.000E+00 a 0 - - - 119 23.150 4.081 0.784 3 U 1.215E+08 0.000E+00 a 0 CD2.A19 HA.A19 QD2.A19 #QU 0.484 #SUP 0.48 120 23.150 4.272 0.788 4 U 1.538E+08 0.000E+00 a 0 - - - 121 23.150 7.160 0.786 4 U 8.586E+07 0.000E+00 a 0 - - - 122 23.150 8.093 0.786 4 U 8.185E+07 0.000E+00 a 0 - - - 123 42.250 1.744 1.743 1 U 5.802E+08 0.000E+00 a 0 CB.A18 HB2.A18 HB2.A18 #VC 0.17782 #QU 0.216 #SUP 1.00 123 42.250 1.744 1.743 1 U 5.802E+08 0.000E+00 a 0 CB.A39 HB3.A39 HB3.A39 #VC 0.82218 #QU 0.999 #SUP 1.00 124 42.250 1.581 1.582 1 U 5.345E+08 0.000E+00 a 0 CB.A39 HB2.A39 HB2.A39 #QU 0.987 #SUP 0.99 125 42.250 0.878 1.743 3 U 8.240E+07 0.000E+00 a 0 CB.A18 QQD.A18 HB2.A18 #VC 0.36075 #QU 0.397 #SUP 0.82 125 42.250 0.878 1.743 3 U 8.240E+07 0.000E+00 a 0 CB.A39 QQD.A39 HB3.A39 #VC 0.63925 #QU 0.703 #SUP 0.82 126 42.250 0.873 1.575 4 U 7.953E+07 0.000E+00 a 0 - - - 127 42.250 4.276 1.589 1 U 4.811E+07 0.000E+00 a 0 CB.A39 HA.A39 HB2.A39 #QU 0.999 #SUP 1.00 128 42.250 4.257 1.750 1 U 4.250E+07 0.000E+00 a 0 CB.A39 HA.A39 HB3.A39 #QU 0.878 #SUP 0.88 129 42.250 7.934 1.582 1 U 4.183E+07 0.000E+00 a 0 CB.A39 H.A39 HB2.A39 #QU 0.996 #SUP 1.00 130 42.250 7.929 1.748 1 U 6.526E+07 0.000E+00 a 0 CB.A39 H.A39 HB3.A39 #QU 0.989 #SUP 0.99 131 42.250 1.582 1.745 3 U 3.012E+08 0.000E+00 a 0 CB.A39 HB2.A39 HB3.A39 #VC 0.50261 #QU 0.996 #SUP 1.00 131 42.250 1.582 1.745 3 U 3.012E+08 0.000E+00 a 0 CB.A39 HG.A39 HB3.A39 #VC 0.49739 #QU 0.977 #SUP 1.00 132 42.250 1.747 1.589 3 U 3.387E+08 0.000E+00 a 0 CB.A39 HB3.A39 HB2.A39 #SUP 1.00 133 69.850 4.142 4.140 1 U 2.655E+08 0.000E+00 a 0 CB.A22 HB.A22 HB.A22 #QU 0.997 #SUP 1.00 136 62.810 4.340 4.327 1 U 3.903E+08 0.000E+00 a 0 CA.A22 HA.A22 HA.A22 #QU 0.978 #SUP 0.98 137 69.729 4.326 4.139 1 U 5.324E+07 0.000E+00 a 0 CB.A22 HA.A22 HB.A22 #QU 0.987 #SUP 0.99 138 69.729 4.772 4.141 1 U 2.352E+07 0.000E+00 a 0 CB.A22 HG1.A22 HB.A22 #QU 0.994 #SUP 0.99 139 69.729 7.537 4.141 1 U 2.894E+07 0.000E+00 a 0 CB.A22 H.A22 HB.A22 #QU 0.988 #SUP 0.99 140 69.729 1.297 4.139 1 U 5.992E+07 0.000E+00 a 0 CB.A22 QG2.A22 HB.A22 #QU 0.990 #SUP 0.99 141 69.729 0.896 4.141 3 U 3.743E+07 0.000E+00 a 0 CB.A22 QQD.A18 HB.A22 #QU 0.703 #SUP 0.70 142 62.810 4.142 4.327 1 U 6.535E+07 0.000E+00 a 0 CA.A22 HB.A22 HA.A22 #QU 0.996 #SUP 1.00 143 62.810 8.606 4.332 1 U 9.537E+07 0.000E+00 a 0 CA.A22 H.A23 HA.A22 #QU 0.999 #SUP 1.00 144 62.810 1.306 4.327 1 U 5.627E+07 0.000E+00 a 0 CA.A22 QG2.A22 HA.A22 #QU 0.993 #SUP 0.99 145 62.810 7.519 4.327 1 U 1.850E+07 0.000E+00 a 0 CA.A22 H.A22 HA.A22 #QU 0.945 #SUP 0.95 146 62.810 2.104 4.070 1 U 4.445E+07 0.000E+00 a 0 CA.A40 HB.A40 HA.A40 #QU 0.999 #SUP 1.00 147 62.810 0.929 4.074 3 U 7.122E+07 0.000E+00 a 0 CA.A40 QG1.A40 HA.A40 #VC 0.49947 #QU 0.994 #SUP 1.00 147 62.810 0.929 4.074 3 U 7.122E+07 0.000E+00 a 0 CA.A40 QG2.A40 HA.A40 #VC 0.50053 #QU 0.996 #SUP 1.00 148 62.810 7.967 4.072 1 U 5.948E+07 0.000E+00 a 0 CA.A40 H.A40 HA.A40 #QU 0.999 #SUP 1.00 149 62.810 8.186 4.070 1 U 3.969E+07 0.000E+00 a 0 CA.A40 H.A41 HA.A40 #QU 0.999 #SUP 1.00 150 62.810 4.206 3.984 1 U 2.278E+08 0.000E+00 a 0 CB.A17 HA.A17 HB2.A17 #VC 0.45148 #QU 0.822 #SUP 1.00 150 62.810 4.206 3.984 1 U 2.278E+08 0.000E+00 a 0 CB.A17 HA.A17 HB3.A17 #VC 0.54852 #QU 0.999 #SUP 1.00 151 62.810 4.749 3.982 1 U 2.848E+07 0.000E+00 a 0 CB.A17 HG.A17 HB2.A17 #VC 0.46356 #QU 0.863 #SUP 1.00 151 62.810 4.749 3.982 1 U 2.848E+07 0.000E+00 a 0 CB.A17 HG.A17 HB3.A17 #VC 0.53644 #QU 0.998 #SUP 1.00 152 62.810 7.923 3.980 1 U 1.253E+08 0.000E+00 a 0 CB.A17 H.A17 HB2.A17 #VC 0.50847 #QU 0.390 #SUP 0.63 152 62.810 7.923 3.980 1 U 1.253E+08 0.000E+00 a 0 CB.A17 H.A17 HB3.A17 #VC 0.49153 #QU 0.390 #SUP 0.63 153 62.810 8.121 3.978 1 U 7.395E+07 0.000E+00 a 0 CB.A17 H.A18 HB2.A17 #VC 0.35664 #QU 0.426 #SUP 0.88 153 62.810 8.121 3.978 1 U 7.395E+07 0.000E+00 a 0 CB.A17 H.A18 HB3.A17 #VC 0.64336 #QU 0.783 #SUP 0.88 154 62.810 8.630 3.989 4 U 5.351E+07 0.000E+00 a 0 - 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- - 187 57.813 1.865 4.103 1 U 7.982E+07 0.000E+00 a 0 CA.A11 HB2.A11 HA.A11 #SUP 1.00 188 57.813 1.504 4.101 1 U 4.436E+07 0.000E+00 a 0 CA.A11 HG.A11 HA.A11 #SUP 1.00 189 57.813 1.685 4.108 1 U 4.134E+07 0.000E+00 a 0 CA.A11 HB3.A11 HA.A11 #QU 0.994 #SUP 0.99 190 57.813 0.847 4.108 1 U 1.238E+08 0.000E+00 a 0 CA.A11 QQD.A11 HA.A11 #QU 0.994 #SUP 0.99 191 57.813 8.664 4.106 3 U 2.956E+07 0.000E+00 a 0 CA.A19 H.A19 HA.A19 #QU 0.616 #SUP 0.62 192 57.813 7.905 4.106 4 U 8.448E+07 0.000E+00 a 0 - - - #QU 0.164 193 57.813 1.351 4.106 3 U 1.898E+07 0.000E+00 a 0 CA.A19 HG.A19 HA.A19 #QU 0.600 #SUP 0.60 194 58.351 8.440 3.984 3 U 7.109E+07 0.000E+00 a 0 CA.A12 H.A15 HA.A12 #QU 0.956 #SUP 0.96 195 58.351 8.281 3.988 1 U 5.111E+07 0.000E+00 a 0 CA.A12 H.A12 HA.A12 #QU 0.995 #SUP 1.00 196 58.351 8.102 3.984 4 U 4.218E+07 0.000E+00 a 0 - - - 197 58.351 7.918 3.986 3 U 3.579E+07 0.000E+00 a 0 CA.A12 H.A14 HA.A12 #QU 0.954 #SUP 0.95 198 58.351 1.868 3.988 1 U 1.565E+08 0.000E+00 a 0 CA.A12 HB2.A12 HA.A12 #QU 0.884 #SUP 0.88 199 58.351 1.661 3.984 1 U 1.327E+08 0.000E+00 a 0 CA.A12 HB3.A12 HA.A12 #VC 0.43905 #QU 0.751 #SUP 0.91 199 58.351 1.661 3.984 1 U 1.327E+08 0.000E+00 a 0 CA.A12 QB.A15 HA.A12 #VC 0.56095 #QU 0.626 #SUP 0.91 200 58.351 1.512 3.986 3 U 4.188E+07 0.000E+00 a 0 CA.A12 HG.A11 HA.A12 #QU 0.858 #SUP 0.86 201 58.351 0.862 3.988 1 U 2.431E+08 0.000E+00 a 0 CA.A12 QQD.A12 HA.A12 #VC 0.70871 #QU 0.798 #SUP 0.84 201 58.351 0.862 3.988 1 U 2.431E+08 0.000E+00 a 0 CA.A12 QQD.A15 HA.A12 #VC 0.29129 #QU 0.229 #SUP 0.84 202 58.351 2.113 3.981 4 U 3.907E+07 0.000E+00 a 0 - 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- - 339 29.132 1.494 1.748 2 U 1.015E+08 0.000E+00 a 0 CD.A9 HG2.A9 HD2.A9 #VC 0.52497 #QU 0.670 #SUP 0.87 339 29.132 1.494 1.748 2 U 1.015E+08 0.000E+00 a 0 CD.A9 HG3.A9 HD2.A9 #VC 0.47503 #QU 0.606 #SUP 0.87 340 28.960 1.437 1.642 4 U 2.844E+08 0.000E+00 a 0 - - - 341 29.132 1.045 1.748 1 U 6.752E+07 0.000E+00 a 0 CG1.A30 HG13.A30 HG12.A30 #QU 0.963 #SUP 0.96 342 29.132 0.838 1.746 1 U 5.386E+07 0.000E+00 a 0 CD.A9 QQD.A12 HD2.A9 #VC 0.46806 #QU 0.704 #SUP 0.97 342 29.132 0.838 1.746 1 U 5.386E+07 0.000E+00 a 0 CG1.A30 QD1.A30 HG12.A30 #VC 0.53194 #QU 0.883 #SUP 0.97 343 28.960 3.013 1.744 3 U 1.544E+07 0.000E+00 a 0 CD.A9 QE.A9 HD2.A9 #QU 0.992 #SUP 0.99 344 28.960 3.003 1.646 1 U 2.940E+07 0.000E+00 a 0 CD.A9 QE.A9 HD3.A9 #QU 0.919 #SUP 0.92 345 28.960 3.658 1.744 1 U 1.618E+07 0.000E+00 a 0 CG1.A30 HA.A30 HG12.A30 #QU 0.964 #SUP 0.96 346 28.960 4.279 1.646 4 U 1.392E+07 0.000E+00 a 0 - - - 347 28.960 3.993 1.742 3 U 9.544E+06 0.000E+00 a 0 CD.A9 HA.A9 HD2.A9 #QU 0.990 #SUP 0.99 348 28.960 4.002 1.638 1 U 9.721E+06 0.000E+00 a 0 CD.A9 HA.A9 HD3.A9 #QU 0.889 #SUP 0.89 349 28.960 7.755 1.746 1 U 3.075E+07 0.000E+00 a 0 CG1.A30 H.A30 HG12.A30 #QU 0.768 #SUP 0.77 350 28.960 2.150 1.744 1 U 5.109E+07 0.000E+00 a 0 CG1.A30 QB.A29 HG12.A30 #VC 0.50302 #QU 0.422 #SUP 0.85 350 28.960 2.150 1.744 1 U 5.109E+07 0.000E+00 a 0 CG1.A30 HB.A30 HG12.A30 #VC 0.49698 #QU 0.741 #SUP 0.85 351 27.638 0.905 1.293 1 U 5.240E+07 0.000E+00 a 0 CG1.A36 QD1.A36 HG13.A36 #QU 0.715 #SUP 0.72 352 27.638 0.905 1.504 1 U 4.983E+07 0.000E+00 a 0 CG1.A36 QD1.A36 HG12.A36 #QU 0.713 #SUP 0.71 353 27.638 1.901 1.291 1 U 2.774E+07 0.000E+00 a 0 CG1.A36 HB.A36 HG13.A36 #QU 0.852 #SUP 0.85 354 27.638 1.899 1.506 1 U 4.340E+07 0.000E+00 a 0 CG1.A36 HB.A36 HG12.A36 #QU 0.798 #SUP 0.80 355 27.638 4.007 1.287 1 U 1.347E+07 0.000E+00 a 0 CG1.A36 HA.A36 HG13.A36 #QU 0.990 #SUP 0.99 356 27.638 4.273 1.293 3 U 1.066E+07 0.000E+00 a 0 CG1.A36 HA.A31 HG13.A36 #QU 0.965 #SUP 0.97 357 27.638 3.999 1.496 1 U 1.398E+07 0.000E+00 a 0 CG1.A36 HA.A36 HG12.A36 #QU 0.977 #SUP 0.98 358 27.638 4.225 1.496 4 U 1.555E+07 0.000E+00 a 0 - - - 359 26.569 4.272 0.777 1 U 1.976E+07 0.000E+00 a 0 CD1.A34 HA.A34 QQD.A34 #QU 0.972 #SUP 0.97 360 26.569 6.967 0.777 4 U 2.462E+07 0.000E+00 a 0 - - - 361 25.688 1.685 0.675 3 U 2.361E+07 0.000E+00 a 0 CD1.A19 QB.A27 QD1.A19 #QU 0.648 #SUP 0.65 362 25.688 2.111 0.667 4 U 1.069E+07 0.000E+00 a 0 - - - 363 25.688 2.362 0.669 4 U 9.630E+06 0.000E+00 a 0 - - - #QU 0.087 364 24.870 1.714 1.473 4 U 1.247E+08 0.000E+00 a 0 - - - 365 24.870 1.879 1.473 3 U 6.901E+07 0.000E+00 a 0 CG.A9 QB.A9 HG2.A9 #VC 0.50033 #QU 0.960 #SUP 1.00 365 24.870 1.879 1.473 3 U 6.901E+07 0.000E+00 a 0 CG.A9 QB.A9 HG3.A9 #VC 0.49967 #QU 0.959 #SUP 1.00 366 24.870 3.991 1.471 3 U 1.898E+07 0.000E+00 a 0 CG.A9 HA.A9 HG2.A9 #VC 0.49960 #QU 0.997 #SUP 1.00 366 24.870 3.991 1.471 3 U 1.898E+07 0.000E+00 a 0 CG.A9 HA.A9 HG3.A9 #VC 0.50040 #QU 0.998 #SUP 1.00 367 24.870 2.997 1.471 3 U 1.374E+07 0.000E+00 a 0 CG.A9 QE.A9 HG2.A9 #VC 0.49852 #QU 0.816 #SUP 0.97 367 24.870 2.997 1.471 3 U 1.374E+07 0.000E+00 a 0 CG.A9 QE.A9 HG3.A9 #VC 0.50148 #QU 0.821 #SUP 0.97 368 23.296 3.958 0.852 1 U 1.059E+08 0.000E+00 a 0 CD1.A12 HA.A12 QQD.A12 #QU 0.597 #SUP 0.60 369 23.296 4.264 0.852 4 U 1.028E+08 0.000E+00 a 0 - - - 370 23.296 1.636 0.852 1 U 1.857E+08 0.000E+00 a 0 CD1.A12 HB3.A12 QQD.A12 #QU 0.999 #SUP 1.00 371 23.296 1.762 0.854 3 U 1.499E+08 0.000E+00 a 0 CD1.A12 HD2.A9 QQD.A12 #QU 0.534 #SUP 0.53 372 23.296 1.901 0.852 1 U 6.895E+07 0.000E+00 a 0 CD1.A12 QB.A9 QQD.A12 #VC 0.51686 #QU 0.918 #SUP 0.99 372 23.296 1.901 0.852 1 U 6.895E+07 0.000E+00 a 0 CD1.A12 HB2.A12 QQD.A12 #VC 0.48314 #QU 0.900 #SUP 0.99 373 23.296 1.507 0.852 3 U 5.471E+07 0.000E+00 a 0 CD1.A12 HG.A11 QQD.A12 #QU 0.679 #SUP 0.68 374 18.716 1.552 1.552 1 U 3.229E+09 0.000E+00 a 0 CB.A33 QB.A33 QB.A33 #QU 0.998 #SUP 1.00 375 18.170 1.490 1.488 1 U 3.931E+09 0.000E+00 a 0 CB.A10 QB.A10 QB.A10 #SUP 1.00 376 18.716 0.839 1.546 1 U 1.292E+08 0.000E+00 a 0 CB.A33 QD1.A30 QB.A33 #QU 0.413 #SUP 0.41 377 18.716 3.655 1.548 1 U 4.776E+07 0.000E+00 a 0 CB.A33 HA.A30 QB.A33 #QU 0.955 #SUP 0.95 378 18.716 4.164 1.546 1 U 3.437E+08 0.000E+00 a 0 CB.A33 HA.A33 QB.A33 #QU 0.962 #SUP 0.96 379 18.716 4.390 1.548 4 U 5.769E+07 0.000E+00 a 0 - - - 380 18.716 1.848 1.544 1 U 4.549E+07 0.000E+00 a 0 CB.A33 HB3.A32 QB.A33 #VC 0.37127 #QU 0.411 #SUP 0.91 380 18.716 1.848 1.544 1 U 4.549E+07 0.000E+00 a 0 CB.A33 HB2.A34 QB.A33 #VC 0.62873 #QU 0.843 #SUP 0.91 381 18.170 1.865 1.482 1 U 2.233E+07 0.000E+00 a 0 CB.A10 QB.A9 QB.A10 #QU 0.683 #SUP 0.68 382 18.170 4.207 1.486 1 U 2.300E+08 0.000E+00 a 0 CB.A10 HA.A10 QB.A10 #QU 0.997 #SUP 1.00 383 18.170 4.574 1.482 3 U 2.684E+07 0.000E+00 a 0 CB.A10 HA.A7 QB.A10 #QU 0.630 #SUP 0.63 384 18.170 7.917 1.480 1 U 2.213E+08 0.000E+00 a 0 CB.A10 H.A10 QB.A10 #QU 0.862 #SUP 0.86 385 18.736 8.050 1.548 1 U 3.537E+08 0.000E+00 a 0 CB.A33 H.A33 QB.A33 #VC 0.39529 #QU 0.641 #SUP 0.89 385 18.736 8.050 1.548 1 U 3.537E+08 0.000E+00 a 0 CB.A33 H.A34 QB.A33 #VC 0.60471 #QU 0.696 #SUP 0.89 386 18.799 7.914 1.548 4 U 1.990E+08 0.000E+00 a 0 - - - 387 18.170 1.045 0.758 1 U 6.203E+07 0.000E+00 a 0 CG2.A30 HG13.A30 QG2.A30 #QU 0.955 #SUP 0.96 388 18.170 1.786 0.762 4 U 6.333E+07 0.000E+00 a 0 - - - 389 18.170 2.174 0.760 1 U 8.276E+07 0.000E+00 a 0 CG2.A30 HB.A30 QG2.A30 #QU 0.998 #SUP 1.00 390 18.170 3.666 0.762 1 U 6.217E+07 0.000E+00 a 0 CG2.A30 HA.A30 QG2.A30 #QU 0.994 #SUP 0.99 391 18.170 4.254 0.756 1 U 2.505E+07 0.000E+00 a 0 CG2.A30 HA.A31 QG2.A30 #QU 0.895 #SUP 0.90 392 18.170 7.148 0.758 4 U 9.080E+07 0.000E+00 a 0 - - - 393 18.170 8.674 0.762 1 U 4.474E+07 0.000E+00 a 0 CG2.A30 H.A31 QG2.A30 #QU 0.992 #SUP 0.99 394 21.200 0.936 0.934 3 U 7.655E+09 0.000E+00 a 0 CG1.A40 QG1.A40 QG1.A40 #VC 0.51809 #SUP 1.00 394 21.200 0.936 0.934 3 U 7.655E+09 0.000E+00 a 0 CG2.A40 QG2.A40 QG2.A40 #VC 0.48191 #QU 0.930 #SUP 1.00 395 21.200 2.104 0.932 3 U 9.971E+07 0.000E+00 a 0 CG1.A40 HB.A40 QG1.A40 #VC 0.50232 #SUP 1.00 395 21.200 2.104 0.932 3 U 9.971E+07 0.000E+00 a 0 CG2.A40 HB.A40 QG2.A40 #VC 0.49768 #QU 0.990 #SUP 1.00 396 21.200 4.073 0.934 3 U 5.388E+07 0.000E+00 a 0 CG1.A40 HA.A40 QG1.A40 #VC 0.50494 #SUP 1.00 396 21.200 4.073 0.934 3 U 5.388E+07 0.000E+00 a 0 CG2.A40 HA.A40 QG2.A40 #VC 0.49506 #QU 0.980 #SUP 1.00 397 21.200 4.396 0.940 4 U 2.804E+07 0.000E+00 a 0 - - - #QU 0.005 398 21.200 7.966 0.934 3 U 1.051E+08 0.000E+00 a 0 CG1.A40 H.A40 QG1.A40 #VC 0.38930 #QU 0.468 #SUP 0.85 398 21.200 7.966 0.934 3 U 1.051E+08 0.000E+00 a 0 CG2.A40 H.A40 QG2.A40 #VC 0.61070 #QU 0.721 #SUP 0.85 399 20.700 0.938 0.936 4 U 9.288E+09 0.000E+00 a 0 - - - 400 20.700 2.106 0.936 4 U 1.070E+08 0.000E+00 a 0 - - - 401 20.700 4.071 0.934 4 U 6.435E+07 0.000E+00 a 0 - - - 402 20.700 4.393 0.940 4 U 3.389E+07 0.000E+00 a 0 - - - 403 20.700 7.956 0.936 4 U 1.325E+08 0.000E+00 a 0 - - - 404 21.270 1.306 1.303 1 U 2.444E+09 0.000E+00 a 0 CG2.A22 QG2.A22 QG2.A22 #QU 0.998 #SUP 1.00 405 21.270 0.886 1.303 3 U 7.878E+07 0.000E+00 a 0 CG2.A22 QQD.A18 QG2.A22 #QU 0.759 #SUP 0.76 406 21.270 1.673 1.301 3 U 3.688E+07 0.000E+00 a 0 CG2.A22 HB3.A18 QG2.A22 #QU 0.686 #SUP 0.69 407 21.270 2.168 1.303 4 U 3.774E+07 0.000E+00 a 0 - - - #QU 0.010 408 21.270 4.121 1.301 1 U 1.139E+08 0.000E+00 a 0 CG2.A22 HA.A19 QG2.A22 #VC 0.52977 #QU 0.313 #SUP 0.88 408 21.270 4.121 1.301 1 U 1.139E+08 0.000E+00 a 0 CG2.A22 HB.A22 QG2.A22 #VC 0.47023 #QU 0.828 #SUP 0.88 409 21.270 4.340 1.305 1 U 6.959E+07 0.000E+00 a 0 CG2.A22 HA.A22 QG2.A22 #QU 0.983 #SUP 0.98 410 21.270 4.780 1.298 1 U 2.140E+07 0.000E+00 a 0 CG2.A22 HG1.A22 QG2.A22 #QU 0.995 #SUP 1.00 411 21.270 7.532 1.307 1 U 5.280E+07 0.000E+00 a 0 CG2.A22 H.A22 QG2.A22 #QU 0.990 #SUP 0.99 412 21.270 7.920 1.303 4 U 5.867E+07 0.000E+00 a 0 - - - 413 21.270 8.620 1.301 1 U 1.098E+08 0.000E+00 a 0 CG2.A22 H.A23 QG2.A22 #QU 0.832 #SUP 0.83 414 13.089 1.061 0.851 1 U 1.721E+08 0.000E+00 a 0 CD1.A30 HG13.A30 QD1.A30 #QU 0.984 #SUP 0.98 415 13.089 1.738 0.857 1 U 1.141E+08 0.000E+00 a 0 CD1.A30 HG12.A30 QD1.A30 #QU 0.968 #SUP 0.97 416 13.089 2.181 0.853 1 U 9.956E+07 0.000E+00 a 0 CD1.A30 HB.A30 QD1.A30 #QU 0.961 #SUP 0.96 417 13.089 3.665 0.855 1 U 3.762E+07 0.000E+00 a 0 CD1.A30 HA.A30 QD1.A30 #QU 0.989 #SUP 0.99 418 13.089 4.220 0.855 3 U 4.043E+07 0.000E+00 a 0 CD1.A30 HA.A27 QD1.A30 #QU 0.426 #SUP 0.43 419 13.089 7.136 0.855 4 U 3.266E+07 0.000E+00 a 0 - - - 420 13.089 7.772 0.857 1 U 3.506E+07 0.000E+00 a 0 CD1.A30 H.A30 QD1.A30 #QU 0.957 #SUP 0.96 421 13.089 7.979 0.853 4 U 3.404E+07 0.000E+00 a 0 - - - 422 13.089 8.685 0.851 1 U 2.907E+07 0.000E+00 a 0 CD1.A30 H.A31 QD1.A30 #QU 0.965 #SUP 0.96 423 13.593 1.274 0.930 1 U 1.228E+08 0.000E+00 a 0 CD1.A36 HG13.A36 QD1.A36 #QU 0.884 #SUP 0.88 424 13.593 1.514 0.932 1 U 1.128E+08 0.000E+00 a 0 CD1.A36 HG12.A36 QD1.A36 #QU 0.940 #SUP 0.94 425 13.593 1.891 0.934 1 U 9.639E+07 0.000E+00 a 0 CD1.A36 HB.A36 QD1.A36 #QU 0.614 #SUP 0.61 426 13.593 3.567 0.934 4 U 2.395E+07 0.000E+00 a 0 - - - 427 13.593 3.996 0.928 1 U 4.402E+07 0.000E+00 a 0 CD1.A36 HA.A36 QD1.A36 #QU 0.978 #SUP 0.98 428 13.593 4.263 0.928 3 U 5.543E+07 0.000E+00 a 0 CD1.A36 HA.A31 QD1.A36 #QU 0.942 #SUP 0.94 429 13.593 7.150 0.928 4 U 5.222E+07 0.000E+00 a 0 - - - 430 13.593 6.866 0.932 4 U 1.813E+07 0.000E+00 a 0 - - - 431 13.593 7.852 0.930 1 U 2.236E+07 0.000E+00 a 0 CD1.A36 H.A35 QD1.A36 #QU 0.580 #SUP 0.58 432 13.593 8.072 0.928 1 U 4.597E+07 0.000E+00 a 0 CD1.A36 H.A36 QD1.A36 #QU 0.995 #SUP 1.00 433 13.593 8.631 0.932 1 U 2.815E+07 0.000E+00 a 0 CD1.A36 H.A37 QD1.A36 #QU 0.886 #SUP 0.89 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . protons 1 H . . 10 ppm . . . 4.7 . . 34187 1 2 . . protons 1 H . . 10 ppm . . . 4.7 . . 34187 1 3 . . carbon 13 C . . 75 ppm . . . 40 . . 34187 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 34187 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '3D 1H-1H NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 # FORMAT xeasy3D # INAME 1 C # INAME 2 H # INAME 3 HC # SPECTRUM C13NOESY C H HC 3215 59.120 8.960 4.239 1 U 1.442E+08 0.000E+00 a 0 CA.B36 H.B36 HA.B36 #QU 0.964 #SUP 0.96 3823 65.690 8.606 3.481 1 U 1.111E+08 0.000E+00 a 0 CA.B42 H.B42 HA.B42 #QU 0.926 #SUP 0.93 3834 40.287 8.605 2.938 1 U 1.540E+08 0.000E+00 a 0 CB.B41 H.B41 HB2.B41 #VC 0.50000 #QU 0.981 #SUP 0.99 3834 40.287 8.605 2.938 1 U 1.540E+08 0.000E+00 a 0 CB.B41 H.B42 HB2.B41 #VC 0.50000 #QU 0.657 #SUP 0.99 3835 38.149 8.606 1.909 1 U 1.651E+08 0.000E+00 a 0 CB.B42 H.B42 HB.B42 #QU 0.979 #SUP 0.98 3850 18.171 8.606 1.495 1 U 4.885E+08 0.000E+00 a 0 CB.B40 H.B41 QB.B40 #QU 0.860 #SUP 0.86 3853 17.065 8.604 0.893 1 U 2.153E+08 0.000E+00 a 0 CG2.B42 H.B42 QG2.B42 #QU 0.983 #SUP 0.98 3854 13.708 8.604 0.935 1 U 2.010E+08 0.000E+00 a 0 CD1.B42 H.B41 QD1.B42 #VC 0.33333 #QU 0.298 #SUP 0.95 3854 13.708 8.604 0.935 1 U 2.010E+08 0.000E+00 a 0 CD1.B42 H.B42 QD1.B42 #VC 0.66667 #QU 0.935 #SUP 0.95 3872 62.211 8.603 3.869 1 U 1.245E+08 0.000E+00 a 0 CA.B41 H.B41 HA.B41 #VC 0.50000 #QU 0.986 #SUP 1.00 3872 62.211 8.603 3.869 1 U 1.245E+08 0.000E+00 a 0 CA.B41 H.B42 HA.B41 #VC 0.50000 #QU 0.986 #SUP 1.00 3883 55.250 8.595 4.090 1 U 7.815E+07 0.000E+00 a 0 CA.B39 H.B41 HA.B39 #VC 0.50000 #QU 0.956 #SUP 1.00 3883 55.250 8.595 4.090 1 U 7.815E+07 0.000E+00 a 0 CA.B39 H.B42 HA.B39 #VC 0.50000 #QU 0.986 #SUP 1.00 3884 55.082 8.596 4.125 1 U 8.247E+07 0.000E+00 a 0 CA.B40 H.B41 HA.B40 #VC 0.50000 #QU 0.995 #SUP 1.00 3884 55.082 8.596 4.125 1 U 8.247E+07 0.000E+00 a 0 CA.B40 H.B42 HA.B40 #VC 0.50000 #QU 0.761 #SUP 1.00 3946 55.009 8.566 4.163 1 U 5.654E+07 0.000E+00 a 0 CA.B7 H.B11 HA.B7 #QU 0.783 #SUP 0.78 3985 58.527 8.552 3.969 1 U 1.591E+08 0.000E+00 a 0 CA.B11 H.B11 HA.B11 #QU 0.984 #SUP 0.98 3996 41.438 8.554 2.212 4 U 8.321E+07 0.000E+00 a 0 - - - 3997 41.508 8.554 1.618 1 U 1.039E+08 0.000E+00 a 0 CB.B11 H.B11 HB2.B11 #QU 0.982 #SUP 0.98 4143 41.358 8.443 1.789 4 U 7.661E+07 0.000E+00 a 0 - - - 4148 32.366 8.444 1.817 1 U 1.867E+08 0.000E+00 a 0 CB.B32 H.B32 QB.B32 #QU 0.857 #SUP 0.86 4149 29.299 8.451 1.650 2 U 1.199E+08 0.000E+00 a 0 CD.B32 H.B32 HD2.B32 #QU 0.993 #SUP 0.99 4150 29.298 8.445 1.588 2 U 1.509E+08 0.000E+00 a 0 CD.B32 H.B32 HD3.B32 #QU 0.795 #SUP 0.79 4153 26.119 8.452 1.582 2 U 1.232E+08 0.000E+00 a 0 CG.B32 H.B32 HG2.B32 #QU 0.992 #SUP 0.99 4154 26.055 8.450 1.354 2 U 6.579E+07 0.000E+00 a 0 CG.B32 H.B32 HG3.B32 #QU 0.989 #SUP 0.99 4189 60.225 8.426 4.634 1 U 1.115E+08 0.000E+00 a 0 CA.B3 H.B3 HA.B3 #QU 0.937 #SUP 0.94 4190 58.978 8.439 3.918 2 U 1.760E+08 0.000E+00 a 0 CA.B29 H.B32 HA.B29 #QU 0.747 #SUP 0.75 4221 69.431 8.414 4.152 1 U 1.414E+08 0.000E+00 a 0 CB.B3 H.B3 HB.B3 #QU 0.984 #SUP 0.98 4223 63.736 8.394 3.877 1 U 3.722E+08 0.000E+00 a 0 CB.B19 H.B19 HB3.B19 #QU 0.438 #SUP 0.44 4231 58.246 8.415 4.627 1 U 3.790E+08 0.000E+00 a 0 CA.B2 H.B3 HA.B2 #QU 0.832 #SUP 0.83 4261 68.863 8.381 4.175 1 U 1.175E+08 0.000E+00 a 0 CB.B14 H.B15 HB.B14 #QU 0.872 #SUP 0.87 4264 66.882 8.376 3.974 1 U 5.673E+07 0.000E+00 a 0 CA.B14 H.B15 HA.B14 #QU 0.996 #SUP 1.00 4265 63.479 8.384 3.819 2 U 2.359E+08 0.000E+00 a 0 CB.B19 H.B19 HB2.B19 #QU 0.967 #SUP 0.97 4266 63.281 8.385 4.341 1 U 5.208E+08 0.000E+00 a 0 CA.B18 H.B19 HA.B18 #QU 0.956 #SUP 0.96 4270 59.211 8.385 4.257 1 U 1.446E+08 0.000E+00 a 0 CA.B19 H.B19 HA.B19 #QU 0.974 #SUP 0.97 4271 59.004 8.384 3.969 2 U 1.496E+08 0.000E+00 a 0 CA.B11 H.B12 HA.B11 #QU 0.603 #SUP 0.60 4272 58.523 8.385 3.860 1 U 1.620E+08 0.000E+00 a 0 CA.B12 H.B12 HA.B12 #VC 0.54713 #QU 0.991 #SUP 0.99 4272 58.523 8.385 3.860 1 U 1.620E+08 0.000E+00 a 0 CA.B12 H.B15 HA.B12 #VC 0.45287 #QU 0.352 #SUP 0.99 4273 57.129 8.369 4.029 1 U 1.013E+08 0.000E+00 a 0 CA.B15 H.B15 HA.B15 #QU 0.778 #SUP 0.78 4287 41.436 8.381 1.627 1 U 6.807E+07 0.000E+00 a 0 CB.B11 H.B12 HB2.B11 #QU 0.966 #SUP 0.97 4288 41.439 8.382 1.495 2 U 9.268E+07 0.000E+00 a 0 CB.B12 H.B12 HB3.B12 #QU 0.269 #SUP 0.27 4289 41.362 8.387 2.213 4 U 5.645E+07 0.000E+00 a 0 - - - 4290 41.395 8.381 1.895 2 U 1.282E+08 0.000E+00 a 0 CB.B12 H.B12 HB2.B12 #QU 0.916 #SUP 0.92 4328 65.436 8.354 3.611 2 U 6.642E+07 0.000E+00 a 0 CA.B30 HD22.B34 HA.B30 #QU 0.969 #SUP 0.97 4330 64.368 8.352 3.991 3 U 1.155E+08 0.000E+00 a 0 CB.B33 HD22.B34 QB.B33 #QU 0.931 #SUP 0.93 4343 41.199 8.346 2.756 2 U 1.012E+08 0.000E+00 a 0 CB.B34 HD22.B34 HB2.B34 #QU 0.994 #SUP 0.99 4344 41.358 8.367 1.836 3 U 5.675E+07 0.000E+00 a 0 CB.B12 H.B12 HB3.B12 #QU 0.311 #SUP 0.31 4378 41.168 8.338 2.547 2 U 6.319E+07 0.000E+00 a 0 CB.B34 HD22.B34 HB3.B34 #QU 0.879 #SUP 0.88 4408 58.215 8.313 4.131 1 U 2.282E+08 0.000E+00 a 0 CA.B6 H.B7 HA.B6 #QU 0.730 #SUP 0.73 4429 18.591 8.301 1.357 1 U 6.302E+08 0.000E+00 a 0 CB.B7 H.B7 QB.B7 #QU 0.951 #SUP 0.95 4448 54.939 8.295 4.173 1 U 1.707E+08 0.000E+00 a 0 CA.B7 H.B7 HA.B7 #QU 0.913 #SUP 0.91 4483 57.040 8.261 4.212 1 U 7.512E+07 0.000E+00 a 0 CA.B37 H.B38 HA.B37 #QU 0.843 #SUP 0.84 4523 65.679 8.243 4.394 1 U 9.113E+07 0.000E+00 a 0 CA.B35 H.B38 HA.B35 #QU 0.317 #SUP 0.32 4524 65.587 8.230 4.333 1 U 9.944E+07 0.000E+00 a 0 CA.B21 H.B23 HA.B21 #QU 0.727 #SUP 0.73 4527 59.698 8.243 3.662 1 U 1.400E+08 0.000E+00 a 0 CA.B23 H.B23 HA.B23 #QU 0.967 #SUP 0.97 4530 59.146 8.245 4.247 1 U 6.008E+07 0.000E+00 a 0 CA.B36 H.B38 HA.B36 #QU 0.835 #SUP 0.83 4532 56.442 8.235 4.244 4 U 6.520E+07 0.000E+00 a 0 - - - 4539 41.345 8.239 1.715 1 U 6.003E+07 0.000E+00 a 0 CB.B37 H.B38 QB.B37 #QU 0.960 #SUP 0.96 4574 55.451 8.211 4.688 1 U 1.915E+08 0.000E+00 a 0 CA.B48 H.B49 HA.B48 #QU 0.977 #SUP 0.98 4587 29.509 8.210 1.961 1 U 1.675E+08 0.000E+00 a 0 CB.B49 H.B49 HB3.B49 #QU 0.923 #SUP 0.92 4613 58.513 8.184 3.864 1 U 1.186E+08 0.000E+00 a 0 CA.B31 H.B31 HA.B31 #QU 0.889 #SUP 0.89 4627 31.467 8.182 2.206 1 U 1.954E+08 0.000E+00 a 0 CB.B27 H.B27 HB.B27 #QU 0.893 #SUP 0.89 4648 67.494 8.170 3.276 1 U 1.479E+08 0.000E+00 a 0 CA.B27 H.B27 HA.B27 #VC 0.62500 #QU 0.999 #SUP 1.00 4648 67.494 8.170 3.276 1 U 1.479E+08 0.000E+00 a 0 CA.B27 H.B31 HA.B27 #VC 0.37500 #QU 0.570 #SUP 1.00 4653 59.112 8.176 4.068 1 U 3.855E+08 0.000E+00 a 0 CA.B22 H.B22 HA.B22 #VC 0.51230 #QU 0.965 #SUP 1.00 4653 59.112 8.176 4.068 1 U 3.855E+08 0.000E+00 a 0 CA.B26 H.B27 HA.B26 #VC 0.48770 #QU 0.903 #SUP 1.00 4653 59.112 8.176 4.068 1 U 3.855E+08 0.000E+00 a 0 CB.B12 H.B31 HB3.B12 #VC 0.54047 #QU 0.389 #SUP 0.66 4669 38.317 8.177 1.827 1 U 1.022E+08 0.000E+00 a 0 CB.B30 H.B31 HB.B30 #QU 0.981 #SUP 0.98 4673 28.401 8.168 2.259 1 U 1.605E+08 0.000E+00 a 0 CB.B26 H.B27 HB2.B26 #QU 0.824 #SUP 0.82 4705 68.722 8.154 4.184 1 U 1.523E+08 0.000E+00 a 0 CB.B14 H.B14 HB.B14 #QU 0.951 #SUP 0.95 4707 66.964 8.156 3.973 1 U 1.113E+08 0.000E+00 a 0 CA.B14 H.B14 HA.B14 #QU 0.954 #SUP 0.95 4711 58.940 8.135 3.926 1 U 2.921E+08 0.000E+00 a 0 CA.B13 H.B14 HA.B13 #VC 0.47643 #QU 0.872 #SUP 1.00 4711 58.940 8.135 3.926 1 U 2.921E+08 0.000E+00 a 0 CA.B29 H.B29 HA.B29 #VC 0.52357 #QU 0.965 #SUP 1.00 4712 58.483 8.156 3.718 1 U 8.747E+07 0.000E+00 a 0 CA.B28 H.B29 HA.B28 #VC 0.42178 #QU 0.619 #SUP 0.75 4712 58.483 8.156 3.718 1 U 8.747E+07 0.000E+00 a 0 CA.B28 H.B31 HA.B28 #VC 0.57822 #QU 0.348 #SUP 0.75 4713 54.908 8.151 4.170 1 U 8.829E+07 0.000E+00 a 0 CA.B7 H.B10 HA.B7 #QU 0.632 #SUP 0.63 4720 41.570 8.141 1.473 1 U 8.631E+07 0.000E+00 a 0 CB.B28 H.B29 HB3.B28 #QU 0.954 #SUP 0.95 4729 28.252 8.144 2.155 1 U 7.312E+08 0.000E+00 a 0 CB.B9 H.B10 QB.B9 #VC 0.34669 #QU 0.583 #SUP 0.97 4729 28.252 8.144 2.155 1 U 7.312E+08 0.000E+00 a 0 CB.B13 H.B14 QB.B13 #VC 0.27888 #QU 0.491 #SUP 0.97 4729 28.252 8.144 2.155 1 U 7.312E+08 0.000E+00 a 0 CB.B29 H.B29 QB.B29 #VC 0.37443 #QU 0.876 #SUP 0.97 4743 59.100 8.135 3.969 1 U 2.262E+08 0.000E+00 a 0 CA.B9 H.B10 HA.B9 #QU 0.651 #SUP 0.65 4825 57.484 8.080 4.141 1 U 1.239E+08 0.000E+00 a 0 CA.B50 H.B50 HA.B50 #QU 0.984 #SUP 0.98 4827 55.887 8.082 4.317 1 U 3.246E+08 0.000E+00 a 0 CA.B49 H.B50 HA.B49 #QU 0.967 #SUP 0.97 4840 30.129 8.080 1.931 1 U 1.044E+08 0.000E+00 a 0 CB.B50 H.B50 HB3.B50 #QU 0.873 #SUP 0.87 4841 30.195 8.072 1.920 1 U 1.015E+08 0.000E+00 a 0 CB.B50 H.B50 HB3.B50 #QU 0.993 #SUP 0.99 4861 56.314 8.051 4.248 1 U 2.048E+08 0.000E+00 a 0 CA.B47 H.B48 HA.B47 #QU 0.962 #SUP 0.96 4862 56.166 8.053 3.871 1 U 1.357E+08 0.000E+00 a 0 CA.B45 H.B45 HA.B45 #QU 0.896 #SUP 0.90 4864 55.428 8.055 4.689 1 U 1.696E+08 0.000E+00 a 0 CA.B48 H.B48 HA.B48 #QU 0.915 #SUP 0.92 4875 29.280 8.053 1.962 3 U 1.152E+08 0.000E+00 a 0 CB.B47 H.B48 HB3.B47 #QU 0.450 #SUP 0.45 4876 28.894 8.049 3.365 1 U 8.465E+07 0.000E+00 a 0 CB.B48 H.B48 HB3.B48 #QU 0.870 #SUP 0.87 4877 28.887 8.053 3.344 1 U 7.349E+07 0.000E+00 a 0 CB.B48 H.B48 HB3.B48 #QU 0.945 #SUP 0.94 4878 28.931 8.051 3.076 1 U 1.168E+08 0.000E+00 a 0 CB.B48 H.B48 HB2.B48 #QU 0.961 #SUP 0.96 4886 17.981 8.043 1.499 1 U 7.807E+08 0.000E+00 a 0 CB.B39 H.B39 QB.B39 #QU 0.987 #SUP 0.99 4899 67.478 8.034 3.275 1 U 5.858E+07 0.000E+00 a 0 CA.B27 H.B30 HA.B27 #QU 0.898 #SUP 0.90 4901 65.404 8.026 3.610 1 U 1.251E+08 0.000E+00 a 0 CA.B30 H.B30 HA.B30 #QU 0.984 #SUP 0.98 4902 63.587 8.019 3.962 2 U 1.664E+08 0.000E+00 a 0 CB.B46 H.B46 HB3.B46 #QU 0.716 #SUP 0.72 4903 63.648 8.021 3.899 2 U 1.950E+08 0.000E+00 a 0 CB.B46 H.B46 HB2.B46 #QU 0.898 #SUP 0.90 4908 60.071 8.022 4.270 1 U 1.977E+08 0.000E+00 a 0 CA.B46 H.B46 HA.B46 #QU 0.889 #SUP 0.89 4911 55.285 8.041 4.087 1 U 1.718E+08 0.000E+00 a 0 CA.B39 H.B39 HA.B39 #QU 0.996 #SUP 1.00 4922 38.329 8.024 1.822 1 U 1.629E+08 0.000E+00 a 0 CB.B30 H.B30 HB.B30 #QU 0.985 #SUP 0.99 4926 28.854 8.028 1.879 4 U 1.493E+08 0.000E+00 a 0 - - - 4949 65.692 8.015 3.482 2 U 7.170E+07 0.000E+00 a 0 CA.B42 H.B46 HA.B42 #QU 0.852 #SUP 0.85 4954 59.139 8.001 4.070 1 U 3.187E+08 0.000E+00 a 0 CA.B26 H.B26 HA.B26 #QU 0.831 #SUP 0.83 5012 38.221 7.975 1.907 1 U 9.868E+07 0.000E+00 a 0 CB.B42 H.B43 HB.B42 #QU 0.831 #SUP 0.83 5017 28.484 7.992 2.266 1 U 2.039E+08 0.000E+00 a 0 CB.B26 H.B26 HB2.B26 #QU 0.955 #SUP 0.95 5027 17.056 7.973 0.893 1 U 1.981E+08 0.000E+00 a 0 CG2.B42 H.B43 QG2.B42 #QU 0.894 #SUP 0.89 5045 59.010 7.954 3.927 1 U 3.540E+08 0.000E+00 a 0 CA.B13 H.B13 HA.B13 #QU 0.852 #SUP 0.85 5048 58.585 7.966 3.869 1 U 7.781E+07 0.000E+00 a 0 CA.B12 H.B13 HA.B12 #QU 0.864 #SUP 0.86 5049 54.985 7.967 4.134 1 U 1.106E+08 0.000E+00 a 0 CA.B40 H.B43 HA.B40 #QU 0.818 #SUP 0.82 5055 41.397 7.955 1.897 2 U 9.570E+07 0.000E+00 a 0 CB.B12 H.B13 HB2.B12 #QU 0.871 #SUP 0.87 5060 32.217 7.956 1.904 1 U 2.975E+08 0.000E+00 a 0 CB.B43 H.B43 QB.B43 #QU 0.941 #SUP 0.94 5066 25.069 7.967 1.452 2 U 7.599E+07 0.000E+00 a 0 CG.B43 H.B43 HG2.B43 #QU 0.892 #SUP 0.89 5082 59.283 7.932 3.964 1 U 4.424E+08 0.000E+00 a 0 CA.B9 H.B9 HA.B9 #VC 0.73058 #QU 0.860 #SUP 0.90 5082 59.283 7.932 3.964 1 U 4.424E+08 0.000E+00 a 0 CA.B43 H.B43 HA.B43 #VC 0.26942 #QU 0.317 #SUP 0.90 5123 58.328 7.918 4.131 1 U 9.915E+07 0.000E+00 a 0 CA.B6 H.B9 HA.B6 #QU 0.651 #SUP 0.65 5146 28.133 7.907 2.155 1 U 8.238E+08 0.000E+00 a 0 CB.B9 H.B9 QB.B9 #QU 0.828 #SUP 0.83 5147 27.249 7.911 1.840 3 U 1.492E+08 0.000E+00 a 0 CB.B44 H.B44 HB2.B44 #VC 0.40731 #QU 0.614 #SUP 0.96 5147 27.249 7.911 1.840 3 U 1.492E+08 0.000E+00 a 0 CB.B44 H.B44 HB3.B44 #VC 0.59269 #QU 0.906 #SUP 0.96 5174 41.605 7.880 1.475 1 U 1.235E+08 0.000E+00 a 0 CB.B28 H.B28 HB3.B28 #QU 0.753 #SUP 0.75 5205 59.701 7.865 3.662 1 U 8.266E+07 0.000E+00 a 0 CA.B23 H.B25 HA.B23 #QU 0.809 #SUP 0.81 5206 58.496 7.869 3.722 1 U 1.043E+08 0.000E+00 a 0 CA.B28 H.B28 HA.B28 #QU 0.879 #SUP 0.88 5208 57.080 7.857 4.212 1 U 9.785E+07 0.000E+00 a 0 CA.B37 H.B37 HA.B37 #QU 0.999 #SUP 1.00 5209 54.945 7.860 4.173 1 U 7.249E+07 0.000E+00 a 0 CA.B7 H.B8 HA.B7 #QU 0.758 #SUP 0.76 5215 41.529 7.868 1.810 1 U 3.079E+08 0.000E+00 a 0 CB.B8 H.B8 HB2.B8 #VC 0.43517 #QU 0.523 #SUP 0.90 5215 41.529 7.868 1.810 1 U 3.079E+08 0.000E+00 a 0 CB.B28 H.B28 HB2.B28 #VC 0.56483 #QU 0.798 #SUP 0.90 5217 41.335 7.861 1.732 1 U 1.171E+08 0.000E+00 a 0 CB.B37 H.B8 QB.B37 #VC 0.45468 #QU 0.277 #SUP 0.97 5217 41.335 7.861 1.732 1 U 1.171E+08 0.000E+00 a 0 CB.B37 H.B37 QB.B37 #VC 0.54532 #QU 0.954 #SUP 0.97 5224 31.410 7.871 2.202 1 U 1.200E+08 0.000E+00 a 0 CB.B27 H.B28 HB.B27 #QU 0.852 #SUP 0.85 5275 18.582 7.851 1.357 1 U 2.781E+08 0.000E+00 a 0 CB.B7 H.B8 QB.B7 #QU 0.947 #SUP 0.95 5369 63.712 7.779 3.877 1 U 1.297E+08 0.000E+00 a 0 CB.B19 H.B20 HB3.B19 #QU 0.556 #SUP 0.56 5370 63.472 7.772 3.819 2 U 6.563E+07 0.000E+00 a 0 CB.B19 H.B20 HB2.B19 #QU 0.993 #SUP 0.99 5373 59.196 7.777 4.258 1 U 4.018E+08 0.000E+00 a 0 CA.B19 H.B20 HA.B19 #QU 0.951 #SUP 0.95 5648 54.995 7.606 4.131 1 U 1.725E+08 0.000E+00 a 0 CA.B40 H.B40 HA.B40 #QU 0.950 #SUP 0.95 5671 18.143 7.609 1.496 1 U 8.694E+08 0.000E+00 a 0 CB.B39 H.B40 QB.B39 #VC 0.49918 #QU 0.735 #SUP 0.98 5671 18.143 7.609 1.496 1 U 8.694E+08 0.000E+00 a 0 CB.B40 H.B40 QB.B40 #VC 0.50082 #QU 0.937 #SUP 0.98 5687 64.393 7.574 3.990 3 U 2.734E+08 0.000E+00 a 0 CB.B33 H.B33 QB.B33 #QU 0.987 #SUP 0.99 5688 63.855 7.585 3.881 2 U 1.082E+08 0.000E+00 a 0 CB.B46 H.B47 HB2.B46 #QU 0.403 #SUP 0.40 5691 60.087 7.583 4.271 1 U 1.176E+08 0.000E+00 a 0 CA.B46 H.B47 HA.B46 #QU 0.927 #SUP 0.93 5692 59.402 7.575 4.484 1 U 1.261E+08 0.000E+00 a 0 CA.B33 H.B33 HA.B33 #QU 0.998 #SUP 1.00 5693 59.118 7.574 3.917 1 U 9.841E+07 0.000E+00 a 0 CA.B29 H.B33 HA.B29 #VC 0.55716 #QU 0.595 #SUP 0.83 5693 59.118 7.574 3.917 1 U 9.841E+07 0.000E+00 a 0 CA.B32 H.B33 HA.B32 #VC 0.44284 #QU 0.581 #SUP 0.83 5696 56.346 7.583 4.246 1 U 1.967E+08 0.000E+00 a 0 CA.B47 H.B47 HA.B47 #QU 0.969 #SUP 0.97 5709 32.414 7.578 1.829 4 U 6.796E+07 0.000E+00 a 0 - - - 5713 29.033 7.585 1.976 3 U 1.480E+08 0.000E+00 a 0 CB.B47 H.B47 HB3.B47 #QU 0.899 #SUP 0.90 5920 56.988 7.438 4.019 1 U 6.030E+07 0.000E+00 a 0 CA.B15 H.B16 HA.B15 #QU 0.920 #SUP 0.92 5935 32.657 7.438 1.790 1 U 1.510E+08 0.000E+00 a 0 CB.B16 H.B16 HB2.B16 #QU 0.773 #SUP 0.77 5944 25.661 7.441 1.664 2 U 7.706E+07 0.000E+00 a 0 CG.B16 H.B16 HG2.B16 #QU 0.967 #SUP 0.97 5945 25.476 7.438 1.446 2 U 6.234E+07 0.000E+00 a 0 CG.B16 H.B16 HG3.B16 #QU 0.940 #SUP 0.94 5962 67.005 7.419 3.972 1 U 5.581E+07 0.000E+00 a 0 CA.B14 H.B16 HA.B14 #QU 0.675 #SUP 0.67 5967 58.973 7.423 3.924 2 U 1.158E+08 0.000E+00 a 0 CA.B44 HE21.B44 HA.B44 #QU 0.348 #SUP 0.35 5971 56.994 7.431 4.269 1 U 1.788E+08 0.000E+00 a 0 CA.B16 H.B16 HA.B16 #QU 0.952 #SUP 0.95 6015 62.889 7.398 4.078 4 U 1.599E+08 0.000E+00 a 0 - - - 6016 62.880 7.397 4.022 1 U 1.545E+08 0.000E+00 a 0 CB.B17 H.B17 HB2.B17 #QU 0.931 #SUP 0.93 6198 59.357 7.304 4.487 1 U 7.192E+07 0.000E+00 a 0 CA.B33 H.B34 HA.B33 #QU 0.923 #SUP 0.92 6203 51.507 7.300 5.351 1 U 9.543E+07 0.000E+00 a 0 CA.B34 H.B34 HA.B34 #QU 0.925 #SUP 0.93 6242 41.213 7.278 2.759 1 U 9.216E+07 0.000E+00 a 0 CB.B34 H.B34 HB2.B34 #QU 0.925 #SUP 0.92 6244 41.101 7.285 2.550 1 U 7.019E+07 0.000E+00 a 0 CB.B34 H.B34 HB3.B34 #QU 0.796 #SUP 0.80 6368 18.604 7.205 1.357 3 U 1.708E+08 0.000E+00 a 0 CB.B7 HD21.B34 QB.B7 #QU 0.988 #SUP 0.99 6369 18.230 7.202 0.822 1 U 1.193E+08 0.000E+00 a 0 CG2.B30 HD21.B34 QG2.B30 #QU 0.279 #SUP 0.28 6612 57.099 7.062 4.022 4 U 9.443E+07 0.000E+00 a 0 - - - 6806 62.171 6.952 3.871 4 U 7.560E+07 0.000E+00 a 0 - - - 6817 40.310 6.955 2.937 4 U 1.015E+08 0.000E+00 a 0 - - - 7442 57.084 6.572 4.027 4 U 7.758E+07 0.000E+00 a 0 - - - 7461 28.058 6.578 2.085 4 U 6.472E+07 0.000E+00 a 0 - - - 9406 51.544 5.347 5.350 1 U 1.054E+09 0.000E+00 a 0 CA.B34 HA.B34 HA.B34 #QU 0.975 #SUP 0.98 9412 41.266 5.350 2.551 1 U 8.806E+07 0.000E+00 a 0 CB.B34 HA.B34 HB3.B34 #QU 0.813 #SUP 0.81 9440 41.185 5.347 2.756 1 U 7.660E+07 0.000E+00 a 0 CB.B34 HA.B34 HB2.B34 #QU 0.985 #SUP 0.99 10147 63.239 4.869 4.217 1 U 1.511E+08 0.000E+00 a 0 CB.B20 HA.B20 HB2.B20 #QU 0.923 #SUP 0.92 10148 63.238 4.867 4.119 1 U 1.641E+08 0.000E+00 a 0 CB.B20 HA.B20 HB3.B20 #QU 0.996 #SUP 1.00 10301 63.677 4.768 3.889 2 U 6.732E+07 0.000E+00 a 0 CB.B46 HG.B46 HB2.B46 #QU 0.819 #SUP 0.82 10380 62.953 4.729 4.079 4 U 1.684E+08 0.000E+00 a 0 - - - 10381 62.930 4.726 4.022 1 U 1.712E+08 0.000E+00 a 0 CB.B17 HA.B17 HB2.B17 #QU 0.954 #SUP 0.95 10388 50.427 4.720 3.608 2 U 2.116E+08 0.000E+00 a 0 CD.B18 HA.B17 HD3.B18 #QU 0.915 #SUP 0.92 10436 50.463 4.698 3.888 2 U 5.150E+08 0.000E+00 a 0 CD.B18 HA.B17 HD2.B18 #QU 0.729 #SUP 0.73 10507 28.862 4.680 3.361 1 U 1.170E+08 0.000E+00 a 0 CB.B48 HA.B48 HB3.B48 #QU 0.952 #SUP 0.95 10509 28.979 4.682 3.075 1 U 7.629E+07 0.000E+00 a 0 CB.B48 HA.B48 HB2.B48 #QU 0.984 #SUP 0.98 10586 69.442 4.635 4.151 1 U 1.660E+08 0.000E+00 a 0 CB.B3 HA.B3 HB.B3 #QU 0.981 #SUP 0.98 10589 64.119 4.625 3.875 3 U 2.097E+08 0.000E+00 a 0 CB.B2 HA.B2 HB2.B2 #VC 0.50045 #SUP 1.00 10589 64.119 4.625 3.875 3 U 2.097E+08 0.000E+00 a 0 CB.B2 HA.B2 HB3.B2 #VC 0.49955 #QU 0.998 #SUP 1.00 10597 60.231 4.634 4.632 1 U 2.380E+09 0.000E+00 a 0 CA.B3 HA.B3 HA.B3 #QU 0.997 #SUP 1.00 10601 58.251 4.629 4.627 1 U 4.738E+09 0.000E+00 a 0 CA.B2 HA.B2 HA.B2 #QU 0.997 #SUP 1.00 10614 21.717 4.635 1.243 1 U 2.898E+08 0.000E+00 a 0 CG2.B3 HA.B3 QG2.B3 #QU 0.996 #SUP 1.00 10822 64.418 4.486 3.991 3 U 4.427E+08 0.000E+00 a 0 CB.B33 HA.B33 QB.B33 #QU 0.985 #SUP 0.99 10825 59.287 4.485 4.485 1 U 2.239E+09 0.000E+00 a 0 CA.B33 HA.B33 HA.B33 #QU 0.981 #SUP 0.98 10974 65.592 4.389 4.393 1 U 1.813E+09 0.000E+00 a 0 CA.B35 HA.B35 HA.B35 #QU 0.988 #SUP 0.99 10997 17.837 4.397 1.975 1 U 1.000E+08 0.000E+00 a 0 CE.B38 HA.B35 QE.B38 #QU 0.297 #SUP 0.30 11019 64.140 4.372 4.374 1 U 2.758E+09 0.000E+00 a 0 CA.B5 HA.B5 HA.B5 #QU 0.968 #SUP 0.97 11025 50.564 4.377 3.634 4 U 6.225E+07 0.000E+00 a 0 - - - 11064 63.320 4.340 4.342 1 U 1.764E+09 0.000E+00 a 0 CA.B18 HA.B18 HA.B18 #QU 0.985 #SUP 0.99 11101 65.583 4.332 4.332 1 U 1.978E+09 0.000E+00 a 0 CA.B21 HA.B21 HA.B21 #SUP 1.00 11139 55.897 4.315 4.317 1 U 6.961E+09 0.000E+00 a 0 CA.B49 HA.B49 HA.B49 #QU 0.988 #SUP 0.99 11150 29.244 4.301 2.114 1 U 1.333E+08 0.000E+00 a 0 CB.B49 HA.B49 HB2.B49 #QU 0.684 #SUP 0.68 11151 28.174 4.314 2.191 4 U 1.683E+08 0.000E+00 a 0 - - - 11177 33.855 4.277 2.348 4 U 2.186E+08 0.000E+00 a 0 - - - 11213 63.600 4.268 3.963 2 U 3.382E+08 0.000E+00 a 0 CB.B46 HA.B46 HB3.B46 #QU 0.733 #SUP 0.73 11214 63.570 4.265 3.891 2 U 4.607E+08 0.000E+00 a 0 CB.B46 HA.B46 HB2.B46 #QU 0.887 #SUP 0.89 11215 63.479 4.260 3.818 2 U 2.125E+08 0.000E+00 a 0 CB.B19 HA.B19 HB2.B19 #QU 0.957 #SUP 0.96 11223 59.398 4.255 4.258 1 U 3.445E+09 0.000E+00 a 0 CA.B19 HA.B19 HA.B19 #VC 0.65507 #QU 0.871 #SUP 0.93 11223 59.398 4.255 4.258 1 U 3.445E+09 0.000E+00 a 0 CA.B36 HA.B36 HA.B36 #VC 0.34493 #QU 0.458 #SUP 0.93 11227 56.452 4.249 4.251 1 U 5.265E+09 0.000E+00 a 0 CA.B47 HA.B47 HA.B47 #QU 0.901 #SUP 0.90 11239 29.076 4.257 1.982 3 U 1.737E+08 0.000E+00 a 0 CB.B47 HA.B47 HB2.B47 #VC 0.39909 #QU 0.604 #SUP 0.96 11239 29.076 4.257 1.982 3 U 1.737E+08 0.000E+00 a 0 CB.B47 HA.B47 HB3.B47 #VC 0.60091 #QU 0.910 #SUP 0.96 11241 25.629 4.264 1.657 2 U 6.088E+07 0.000E+00 a 0 CG.B16 HA.B16 HG2.B16 #QU 0.993 #SUP 0.99 11242 25.595 4.266 1.450 2 U 1.035E+08 0.000E+00 a 0 CG.B16 HA.B16 HG3.B16 #QU 0.968 #SUP 0.97 11320 41.436 4.209 1.737 1 U 9.451E+07 0.000E+00 a 0 CB.B37 HA.B37 QB.B37 #QU 0.841 #SUP 0.84 11351 58.228 4.185 4.629 4 U 7.421E+07 0.000E+00 a 0 - - - 11371 23.166 4.179 1.230 1 U 3.489E+08 0.000E+00 a 0 CG2.B14 HB.B14 QG2.B14 #QU 0.981 #SUP 0.98 11389 66.906 4.171 3.972 1 U 2.523E+08 0.000E+00 a 0 CA.B14 HB.B14 HA.B14 #QU 0.990 #SUP 0.99 11391 63.220 4.169 4.218 4 U 6.372E+08 0.000E+00 a 0 - - - 11393 60.223 4.153 4.631 1 U 2.069E+08 0.000E+00 a 0 CA.B3 HB.B3 HA.B3 #QU 0.999 #SUP 1.00 11395 54.957 4.163 4.169 1 U 2.725E+09 0.000E+00 a 0 CA.B7 HA.B7 HA.B7 #QU 0.967 #SUP 0.97 11416 18.590 4.167 1.357 1 U 6.130E+08 0.000E+00 a 0 CB.B7 HA.B7 QB.B7 #QU 0.980 #SUP 0.98 11431 69.471 4.151 4.153 1 U 2.481E+09 0.000E+00 a 0 CB.B3 HB.B3 HB.B3 #QU 0.995 #SUP 0.99 11437 57.498 4.141 4.143 1 U 8.942E+09 0.000E+00 a 0 CA.B50 HA.B50 HA.B50 #QU 0.982 #SUP 0.98 11443 55.028 4.131 4.134 1 U 2.634E+09 0.000E+00 a 0 CA.B7 HA.B7 HA.B7 #VC 0.27643 #QU 0.338 #SUP 0.92 11443 55.028 4.131 4.134 1 U 2.634E+09 0.000E+00 a 0 CA.B40 HA.B40 HA.B40 #VC 0.72357 #QU 0.884 #SUP 0.92 11459 32.191 4.129 1.906 1 U 1.286E+08 0.000E+00 a 0 CB.B43 HA.B40 QB.B43 #QU 0.886 #SUP 0.89 11463 21.732 4.152 1.243 1 U 4.489E+08 0.000E+00 a 0 CG2.B3 HB.B3 QG2.B3 #SUP 1.00 11512 18.096 4.111 1.497 1 U 1.330E+09 0.000E+00 a 0 CB.B39 HA.B39 QB.B39 #VC 0.41833 #QU 0.608 #SUP 0.94 11512 18.096 4.111 1.497 1 U 1.330E+09 0.000E+00 a 0 CB.B40 HA.B40 QB.B40 #VC 0.58167 #QU 0.845 #SUP 0.94 11531 55.229 4.089 4.089 1 U 2.130E+09 0.000E+00 a 0 CA.B39 HA.B39 HA.B39 #QU 0.987 #SUP 0.99 11537 38.151 4.083 1.905 1 U 9.078E+07 0.000E+00 a 0 CB.B42 HA.B39 HB.B42 #QU 0.964 #SUP 0.96 11546 13.711 4.083 0.935 1 U 1.879E+08 0.000E+00 a 0 CD1.B42 HA.B39 QD1.B42 #QU 0.947 #SUP 0.95 11561 59.133 4.066 4.069 1 U 6.358E+09 0.000E+00 a 0 CA.B22 HA.B22 HA.B22 #VC 0.42052 #QU 0.999 #SUP 1.00 11561 59.133 4.066 4.069 1 U 6.358E+09 0.000E+00 a 0 CA.B26 HA.B26 HA.B26 #VC 0.37716 #QU 0.896 #SUP 1.00 11561 59.133 4.066 4.069 1 U 6.358E+09 0.000E+00 a 0 CA.B38 HA.B38 HA.B38 #VC 0.20232 #QU 0.481 #SUP 1.00 11574 33.966 4.061 2.457 3 U 5.067E+08 0.000E+00 a 0 CG.B22 HA.B22 HG3.B22 #QU 0.589 #SUP 0.59 11581 17.833 4.067 1.975 1 U 1.179E+08 0.000E+00 a 0 CE.B38 HA.B39 QE.B38 #QU 0.458 #SUP 0.46 11582 17.072 4.074 0.893 1 U 1.015E+08 0.000E+00 a 0 CG2.B42 HA.B39 QG2.B42 #QU 0.954 #SUP 0.95 11601 62.892 4.052 4.078 4 U 2.131E+09 0.000E+00 a 0 - - - 11602 62.906 4.040 4.022 1 U 2.130E+09 0.000E+00 a 0 CB.B17 HB2.B17 HB2.B17 #QU 0.944 #SUP 0.94 11621 28.443 4.050 2.268 1 U 2.107E+08 0.000E+00 a 0 CB.B26 HA.B26 HB2.B26 #QU 0.979 #SUP 0.98 11650 57.365 4.014 4.017 1 U 1.407E+09 0.000E+00 a 0 CA.B15 HA.B15 HA.B15 #QU 0.749 #SUP 0.75 11685 60.210 3.992 4.634 3 U 5.302E+08 0.000E+00 a 0 CA.B3 HD2.B4 HA.B3 #QU 0.685 #SUP 0.68 11687 59.353 3.989 4.485 3 U 4.906E+08 0.000E+00 a 0 CA.B33 QB.B33 HA.B33 #QU 0.990 #SUP 0.99 11721 68.722 3.978 4.185 1 U 2.979E+08 0.000E+00 a 0 CB.B14 HA.B14 HB.B14 #QU 0.979 #SUP 0.98 11722 66.919 3.973 3.973 1 U 1.635E+09 0.000E+00 a 0 CA.B14 HA.B14 HA.B14 #SUP 1.00 11725 65.443 3.983 3.608 3 U 7.435E+07 0.000E+00 a 0 CA.B30 QB.B33 HA.B30 #QU 0.994 #SUP 0.99 11726 64.322 3.986 3.990 3 U 3.925E+09 0.000E+00 a 0 CB.B33 QB.B33 QB.B33 #QU 0.970 #SUP 0.97 11739 41.738 3.967 1.473 4 U 1.111E+08 0.000E+00 a 0 - - - 11740 41.448 3.973 2.217 4 U 9.661E+07 0.000E+00 a 0 - - - 11741 41.467 3.974 1.616 1 U 1.469E+08 0.000E+00 a 0 CB.B11 HA.B8 HB2.B11 #VC 0.50113 #QU 0.216 #SUP 1.00 11741 41.467 3.974 1.616 1 U 1.469E+08 0.000E+00 a 0 CB.B11 HA.B11 HB2.B11 #VC 0.49887 #QU 0.995 #SUP 1.00 11755 23.198 3.983 1.230 1 U 4.729E+08 0.000E+00 a 0 CG2.B14 HA.B14 QG2.B14 #VC 0.73304 #QU 0.920 #SUP 0.94 11755 23.198 3.983 1.230 1 U 4.729E+08 0.000E+00 a 0 CG2.B14 HA.B15 QG2.B14 #VC 0.26696 #QU 0.218 #SUP 0.94 11761 18.238 3.969 0.823 3 U 1.385E+08 0.000E+00 a 0 CG2.B30 QB.B33 QG2.B30 #QU 0.211 #SUP 0.21 11764 14.456 3.972 0.724 4 U 2.424E+08 0.000E+00 a 0 - - - 11776 59.034 3.954 3.960 1 U 6.737E+09 0.000E+00 a 0 CA.B9 HA.B9 HA.B9 #VC 0.33776 #QU 0.485 #SUP 0.86 11776 59.034 3.954 3.960 1 U 6.737E+09 0.000E+00 a 0 CA.B25 HA.B25 HA.B25 #VC 0.39433 #QU 0.566 #SUP 0.86 11776 59.034 3.954 3.960 1 U 6.737E+09 0.000E+00 a 0 CA.B29 HA.B29 HA.B29 #VC 0.26791 #QU 0.385 #SUP 0.86 11789 41.441 3.950 1.890 2 U 1.079E+08 0.000E+00 a 0 CB.B12 HA.B9 HB2.B12 #QU 0.576 #SUP 0.58 11790 41.542 3.958 1.809 2 U 1.800E+08 0.000E+00 a 0 CB.B8 HA.B8 HB2.B8 #QU 0.877 #SUP 0.88 11799 28.113 3.951 2.156 1 U 1.134E+09 0.000E+00 a 0 CB.B9 HA.B9 QB.B9 #VC 0.31644 #QU 0.795 #SUP 1.00 11799 28.113 3.951 2.156 1 U 1.134E+09 0.000E+00 a 0 CB.B25 HA.B25 QB.B25 #VC 0.39150 #QU 0.983 #SUP 1.00 11799 28.113 3.951 2.156 1 U 1.134E+09 0.000E+00 a 0 CB.B29 HA.B29 QB.B29 #VC 0.29206 #QU 0.734 #SUP 1.00 11803 25.040 3.950 1.453 2 U 9.261E+07 0.000E+00 a 0 CG.B43 HA.B43 HG2.B43 #QU 0.962 #SUP 0.96 11811 17.077 3.944 0.893 1 U 1.150E+08 0.000E+00 a 0 CG2.B42 HA.B43 QG2.B42 #VC 0.55104 #QU 0.907 #SUP 0.97 11811 17.077 3.944 0.893 1 U 1.150E+08 0.000E+00 a 0 CG2.B42 HB3.B46 QG2.B42 #VC 0.44896 #QU 0.682 #SUP 0.97 11827 63.694 3.932 3.961 2 U 2.875E+09 0.000E+00 a 0 CB.B46 HB3.B46 HB3.B46 #QU 0.728 #SUP 0.73 11829 59.984 3.933 4.271 1 U 5.492E+08 0.000E+00 a 0 CA.B46 HB2.B46 HA.B46 #VC 0.39063 #QU 0.546 #SUP 0.93 11829 59.984 3.933 4.271 1 U 5.492E+08 0.000E+00 a 0 CA.B46 HB3.B46 HA.B46 #VC 0.60937 #QU 0.851 #SUP 0.93 11833 58.980 3.923 3.924 1 U 7.645E+09 0.000E+00 a 0 CA.B13 HA.B13 HA.B13 #VC 0.36323 #QU 0.882 #SUP 1.00 11833 58.980 3.923 3.924 1 U 7.645E+09 0.000E+00 a 0 CA.B29 HA.B29 HA.B29 #VC 0.39508 #QU 0.960 #SUP 1.00 11833 58.980 3.923 3.924 1 U 7.645E+09 0.000E+00 a 0 CA.B44 HA.B44 HA.B44 #VC 0.24169 #QU 0.587 #SUP 1.00 11867 32.142 3.939 1.906 1 U 2.711E+08 0.000E+00 a 0 CB.B43 HA.B43 QB.B43 #QU 0.811 #SUP 0.81 11870 29.300 3.935 1.645 2 U 1.132E+08 0.000E+00 a 0 CD.B32 HA.B29 HD2.B32 #QU 0.922 #SUP 0.92 11891 65.587 3.901 4.331 1 U 8.231E+07 0.000E+00 a 0 CA.B21 QD.B21 HA.B21 #QU 0.998 #SUP 1.00 11895 63.414 3.912 4.114 1 U 3.311E+08 0.000E+00 a 0 CB.B20 QD.B21 HB3.B20 #QU 0.528 #SUP 0.53 11904 50.601 3.899 3.628 2 U 1.073E+09 0.000E+00 a 0 CD.B18 HD2.B18 HD3.B18 #QU 0.914 #SUP 0.91 11919 32.390 3.915 2.012 4 U 1.027E+08 0.000E+00 a 0 - - - 11920 32.341 3.906 1.813 1 U 2.964E+08 0.000E+00 a 0 CB.B32 HA.B29 QB.B32 #VC 0.44380 #QU 0.528 #SUP 0.89 11920 32.341 3.906 1.813 1 U 2.964E+08 0.000E+00 a 0 CB.B32 HA.B32 QB.B32 #VC 0.55620 #QU 0.761 #SUP 0.89 11921 29.289 3.906 1.588 2 U 1.563E+08 0.000E+00 a 0 CD.B32 HA.B29 HD3.B32 #QU 0.643 #SUP 0.64 11924 27.247 3.913 1.839 3 U 1.927E+08 0.000E+00 a 0 CB.B44 HA.B44 HB2.B44 #VC 0.40514 #QU 0.639 #SUP 0.98 11924 27.247 3.913 1.839 3 U 1.927E+08 0.000E+00 a 0 CB.B44 HA.B44 HB3.B44 #VC 0.59486 #QU 0.938 #SUP 0.98 11925 26.132 3.902 1.582 2 U 1.046E+08 0.000E+00 a 0 CG.B32 HA.B32 HG2.B32 #QU 0.931 #SUP 0.93 11926 25.980 3.900 1.352 2 U 1.353E+08 0.000E+00 a 0 CG.B32 HA.B32 HG3.B32 #QU 0.898 #SUP 0.90 11951 64.145 3.900 4.378 4 U 9.767E+07 0.000E+00 a 0 - - - 11953 63.307 3.882 4.345 2 U 1.511E+08 0.000E+00 a 0 CA.B18 HD2.B18 HA.B18 #QU 0.968 #SUP 0.97 11964 50.522 3.892 3.892 2 U 4.264E+09 0.000E+00 a 0 CD.B18 HD2.B18 HD2.B18 #VC 0.53520 #QU 0.990 #SUP 1.00 11964 50.522 3.892 3.892 2 U 4.264E+09 0.000E+00 a 0 CD.B21 QD.B21 QD.B21 #VC 0.46480 #QU 0.860 #SUP 1.00 11972 41.444 3.891 1.490 4 U 1.349E+08 0.000E+00 a 0 - - - 11983 17.826 3.889 1.976 4 U 5.593E+08 0.000E+00 a 0 - - - 11995 63.995 3.870 3.874 3 U 1.255E+10 0.000E+00 a 0 CB.B2 HB2.B2 HB2.B2 #VC 0.50975 #QU 0.977 #SUP 1.00 11995 63.995 3.870 3.874 3 U 1.255E+10 0.000E+00 a 0 CB.B2 HB3.B2 HB3.B2 #VC 0.49025 #QU 0.940 #SUP 1.00 12000 58.559 3.866 3.866 1 U 2.519E+09 0.000E+00 a 0 CA.B12 HA.B12 HA.B12 #VC 0.48521 #QU 0.899 #SUP 1.00 12000 58.559 3.866 3.866 1 U 2.519E+09 0.000E+00 a 0 CA.B31 HA.B31 HA.B31 #VC 0.51479 #QU 0.954 #SUP 1.00 12001 56.177 3.868 3.870 1 U 1.067E+09 0.000E+00 a 0 CA.B45 HA.B45 HA.B45 #QU 0.830 #SUP 0.83 12012 41.301 3.862 1.212 4 U 8.016E+07 0.000E+00 a 0 - - - 12015 40.279 3.866 2.937 1 U 9.260E+07 0.000E+00 a 0 CB.B41 HA.B41 HB2.B41 #QU 0.987 #SUP 0.99 12226 60.260 3.707 4.633 4 U 3.171E+08 0.000E+00 a 0 - - - 12229 58.488 3.719 3.721 1 U 1.226E+09 0.000E+00 a 0 CA.B28 HA.B28 HA.B28 #QU 0.925 #SUP 0.92 12234 41.520 3.717 1.805 1 U 1.187E+08 0.000E+00 a 0 CB.B28 HA.B28 HB2.B28 #QU 0.930 #SUP 0.93 12235 41.594 3.719 1.474 1 U 1.075E+08 0.000E+00 a 0 CB.B28 HA.B28 HB3.B28 #QU 0.979 #SUP 0.98 12265 69.481 3.697 4.151 4 U 2.083E+08 0.000E+00 a 0 - - - 12304 21.729 3.706 1.243 4 U 1.314E+08 0.000E+00 a 0 - - - 12331 59.681 3.661 3.662 1 U 1.471E+09 0.000E+00 a 0 CA.B23 HA.B23 HA.B23 #QU 0.987 #SUP 0.99 12346 34.394 3.663 2.195 4 U 1.108E+08 0.000E+00 a 0 - - - 12351 31.424 3.664 2.209 4 U 7.593E+07 0.000E+00 a 0 - - - 12352 28.365 3.665 2.192 2 U 1.562E+08 0.000E+00 a 0 CB.B23 HA.B23 HB2.B23 #QU 0.973 #SUP 0.97 12355 27.836 3.669 2.055 4 U 4.236E+08 0.000E+00 a 0 - - - 12384 50.551 3.643 3.891 2 U 1.574E+09 0.000E+00 a 0 CD.B18 HD3.B18 HD2.B18 #QU 0.791 #SUP 0.79 12395 32.326 3.639 2.034 2 U 5.577E+07 0.000E+00 a 0 CB.B18 HD3.B18 QB.B18 #QU 0.532 #SUP 0.53 12416 65.397 3.614 3.617 1 U 1.471E+09 0.000E+00 a 0 CA.B30 HA.B30 HA.B30 #QU 0.977 #SUP 0.98 12417 64.407 3.615 3.992 3 U 9.543E+07 0.000E+00 a 0 CB.B33 HA.B30 QB.B33 #QU 0.958 #SUP 0.96 12428 50.550 3.622 3.626 2 U 1.651E+09 0.000E+00 a 0 CD.B18 HD3.B18 HD3.B18 #QU 0.996 #SUP 1.00 12439 32.112 3.614 1.801 1 U 6.292E+07 0.000E+00 a 0 CB.B32 HA.B30 QB.B32 #QU 0.742 #SUP 0.74 12460 62.884 3.610 4.077 4 U 1.253E+08 0.000E+00 a 0 - 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- - 14717 41.428 2.212 1.621 3 U 2.206E+08 0.000E+00 a 0 CB.B11 QB.B10 HB2.B11 #QU 0.708 #SUP 0.71 14742 67.475 2.206 3.278 1 U 9.538E+07 0.000E+00 a 0 CA.B27 HB.B27 HA.B27 #QU 0.998 #SUP 1.00 14744 65.622 2.190 4.332 4 U 2.130E+08 0.000E+00 a 0 - - - 14750 59.687 2.195 3.662 2 U 3.777E+08 0.000E+00 a 0 CA.B23 HB2.B23 HA.B23 #QU 0.992 #SUP 0.99 14761 34.374 2.192 2.194 3 U 1.535E+09 0.000E+00 a 0 CB.B4 HB2.B4 HB2.B4 #SUP 1.00 14763 31.450 2.202 2.206 1 U 9.158E+08 0.000E+00 a 0 CB.B27 HB.B27 HB.B27 #QU 0.995 #SUP 0.99 14832 58.892 2.153 3.959 2 U 8.832E+08 0.000E+00 a 0 CA.B25 QB.B25 HA.B25 #VC 0.57849 #QU 0.771 #SUP 0.90 14832 58.892 2.153 3.959 2 U 8.832E+08 0.000E+00 a 0 CA.B29 QB.B29 HA.B29 #VC 0.42151 #QU 0.562 #SUP 0.90 14833 58.910 2.143 3.928 1 U 9.469E+08 0.000E+00 a 0 CA.B13 QB.B13 HA.B13 #VC 0.40830 #QU 0.886 #SUP 1.00 14833 58.910 2.143 3.928 1 U 9.469E+08 0.000E+00 a 0 CA.B25 QB.B25 HA.B25 #VC 0.15393 #QU 0.334 #SUP 1.00 14833 58.910 2.143 3.928 1 U 9.469E+08 0.000E+00 a 0 CA.B29 QB.B29 HA.B29 #VC 0.43777 #QU 0.950 #SUP 1.00 14835 54.972 2.158 4.171 4 U 1.428E+08 0.000E+00 a 0 - - - 14856 28.153 2.141 2.153 1 U 1.569E+10 0.000E+00 a 0 CB.B9 QB.B9 QB.B9 #VC 0.24072 #QU 0.950 #SUP 1.00 14856 28.153 2.141 2.153 1 U 1.569E+10 0.000E+00 a 0 CB.B13 QB.B13 QB.B13 #VC 0.16446 #QU 0.649 #SUP 1.00 14856 28.153 2.141 2.153 1 U 1.569E+10 0.000E+00 a 0 CB.B25 QB.B25 QB.B25 #VC 0.17486 #QU 0.690 #SUP 1.00 14856 28.153 2.141 2.153 1 U 1.569E+10 0.000E+00 a 0 CB.B26 HB3.B26 HB3.B26 #VC 0.18044 #QU 0.712 #SUP 1.00 14856 28.153 2.141 2.153 1 U 1.569E+10 0.000E+00 a 0 CB.B29 QB.B29 QB.B29 #VC 0.23952 #QU 0.946 #SUP 1.00 14880 59.069 2.128 4.069 1 U 9.331E+08 0.000E+00 a 0 CA.B26 HB3.B26 HA.B26 #QU 0.646 #SUP 0.65 14883 58.344 2.124 4.129 1 U 5.553E+08 0.000E+00 a 0 CA.B6 QB.B6 HA.B6 #VC 0.55382 #QU 0.921 #SUP 0.94 14883 58.344 2.124 4.129 1 U 5.553E+08 0.000E+00 a 0 CA.B6 QB.B9 HA.B6 #VC 0.44618 #QU 0.234 #SUP 0.94 14907 27.211 2.129 1.842 3 U 2.999E+08 0.000E+00 a 0 CB.B44 QG.B44 HB2.B44 #VC 0.40681 #QU 0.501 #SUP 0.87 14907 27.211 2.129 1.842 3 U 2.999E+08 0.000E+00 a 0 CB.B44 QG.B44 HB3.B44 #VC 0.59319 #QU 0.731 #SUP 0.87 14910 18.583 2.123 1.358 1 U 8.342E+07 0.000E+00 a 0 CB.B7 QB.B6 QB.B7 #QU 0.799 #SUP 0.80 14925 55.889 2.114 4.317 1 U 1.653E+08 0.000E+00 a 0 CA.B49 HB2.B49 HA.B49 #QU 0.993 #SUP 0.99 14949 30.205 2.097 1.928 1 U 1.104E+09 0.000E+00 a 0 CB.B50 HB2.B50 HB3.B50 #QU 0.952 #SUP 0.95 14989 28.070 2.079 2.081 2 U 1.137E+10 0.000E+00 a 0 CB.B22 HB3.B22 HB3.B22 #VC 0.44316 #QU 0.934 #SUP 0.99 14989 28.070 2.079 2.081 2 U 1.137E+10 0.000E+00 a 0 CB.B23 HB3.B23 HB3.B23 #VC 0.11626 #QU 0.245 #SUP 0.99 14989 28.070 2.079 2.081 2 U 1.137E+10 0.000E+00 a 0 CB.B24 QB.B24 QB.B24 #VC 0.30846 #QU 0.650 #SUP 0.99 14989 28.070 2.079 2.081 2 U 1.137E+10 0.000E+00 a 0 CB.B36 QB.B36 QB.B36 #VC 0.13212 #QU 0.278 #SUP 0.99 15016 59.703 2.056 3.662 2 U 1.756E+08 0.000E+00 a 0 CA.B23 HB3.B23 HA.B23 #QU 0.993 #SUP 0.99 15024 50.584 2.064 3.626 2 U 3.876E+08 0.000E+00 a 0 CD.B18 QB.B18 HD3.B18 #QU 0.943 #SUP 0.94 15035 27.948 2.062 2.065 1 U 1.131E+10 0.000E+00 a 0 CB.B22 HB3.B22 HB3.B22 #VC 0.35872 #QU 0.556 #SUP 1.00 15035 27.948 2.062 2.065 1 U 1.131E+10 0.000E+00 a 0 CB.B24 QB.B24 QB.B24 #VC 0.64128 #QU 0.993 #SUP 1.00 15057 63.356 2.040 4.341 1 U 1.205E+08 0.000E+00 a 0 CA.B18 QB.B18 HA.B18 #QU 0.912 #SUP 0.91 15059 50.520 2.042 3.891 2 U 8.251E+08 0.000E+00 a 0 CD.B21 QB.B21 QD.B21 #QU 0.931 #SUP 0.93 15096 56.423 2.003 4.251 3 U 4.182E+08 0.000E+00 a 0 CA.B47 HB2.B47 HA.B47 #VC 0.53033 #QU 0.935 #SUP 0.99 15096 56.423 2.003 4.251 3 U 4.182E+08 0.000E+00 a 0 CA.B47 HB3.B47 HA.B47 #VC 0.46967 #QU 0.829 #SUP 0.99 15119 32.430 2.012 2.011 4 U 1.577E+09 0.000E+00 a 0 - - - 15154 29.339 1.975 1.971 3 U 4.252E+09 0.000E+00 a 0 CB.B47 HB3.B47 HB3.B47 #VC 0.59603 #QU 0.533 #SUP 0.70 15154 29.339 1.975 1.971 3 U 4.252E+09 0.000E+00 a 0 CB.B49 HB3.B49 HB3.B49 #VC 0.40397 #QU 0.361 #SUP 0.70 15170 17.823 1.974 1.976 1 U 3.433E+10 0.000E+00 a 0 CE.B38 QE.B38 QE.B38 #QU 0.996 #SUP 1.00 15189 55.956 1.959 4.316 1 U 1.199E+08 0.000E+00 a 0 CA.B49 HB3.B49 HA.B49 #QU 0.941 #SUP 0.94 15202 29.668 1.966 2.114 1 U 1.887E+09 0.000E+00 a 0 CB.B49 HB3.B49 HB2.B49 #QU 0.854 #SUP 0.85 15203 29.543 1.960 1.961 3 U 4.423E+09 0.000E+00 a 0 CB.B49 HB3.B49 HB3.B49 #QU 0.898 #SUP 0.90 15275 13.704 1.929 0.934 1 U 8.079E+08 0.000E+00 a 0 CD1.B42 HB.B42 QD1.B42 #QU 0.799 #SUP 0.80 15290 65.632 1.915 3.479 1 U 2.068E+08 0.000E+00 a 0 CA.B42 HB.B42 HA.B42 #QU 0.973 #SUP 0.97 15296 57.140 1.921 4.021 4 U 1.001E+08 0.000E+00 a 0 - - - 15298 55.227 1.911 4.088 1 U 1.955E+08 0.000E+00 a 0 CA.B39 HB.B42 HA.B39 #QU 0.953 #SUP 0.95 15299 55.065 1.903 4.132 1 U 2.413E+08 0.000E+00 a 0 CA.B40 QB.B43 HA.B40 #QU 0.816 #SUP 0.82 15309 38.175 1.907 1.907 1 U 8.276E+08 0.000E+00 a 0 CB.B42 HB.B42 HB.B42 #QU 0.948 #SUP 0.95 15316 31.913 1.913 1.918 1 U 3.723E+09 0.000E+00 a 0 CB.B43 QB.B43 QB.B43 #QU 0.304 #SUP 0.30 15318 30.298 1.921 1.926 1 U 5.003E+09 0.000E+00 a 0 CB.B50 HB3.B50 HB3.B50 #QU 0.972 #SUP 0.97 15326 25.073 1.904 1.449 2 U 1.727E+08 0.000E+00 a 0 CG.B43 QB.B43 HG2.B43 #QU 0.859 #SUP 0.86 15330 17.059 1.911 0.893 1 U 6.711E+08 0.000E+00 a 0 CG2.B42 HB.B42 QG2.B42 #QU 0.987 #SUP 0.99 15348 59.439 1.882 3.959 1 U 5.625E+08 0.000E+00 a 0 CA.B9 HB2.B12 HA.B9 #VC 0.53750 #QU 0.490 #SUP 0.92 15348 59.439 1.882 3.959 1 U 5.625E+08 0.000E+00 a 0 CA.B43 QB.B43 HA.B43 #VC 0.46250 #QU 0.835 #SUP 0.92 15357 24.895 1.881 1.352 2 U 2.125E+08 0.000E+00 a 0 CG.B43 QB.B43 HG3.B43 #QU 0.974 #SUP 0.97 15360 18.092 1.884 1.499 2 U 1.288E+08 0.000E+00 a 0 CB.B40 QB.B43 QB.B40 #QU 0.741 #SUP 0.74 15384 56.156 1.857 3.868 3 U 1.317E+08 0.000E+00 a 0 CA.B45 QB.B45 HA.B45 #QU 0.913 #SUP 0.91 15401 41.424 1.875 1.892 2 U 6.414E+08 0.000E+00 a 0 CB.B12 HB2.B12 HB2.B12 #QU 0.940 #SUP 0.94 15405 28.913 1.875 1.883 4 U 6.141E+08 0.000E+00 a 0 - - - 15409 14.460 1.859 0.724 4 U 6.074E+08 0.000E+00 a 0 - - - 15421 65.389 1.856 3.607 1 U 1.876E+08 0.000E+00 a 0 CA.B30 HB.B30 HA.B30 #QU 0.597 #SUP 0.60 15433 41.524 1.837 1.485 4 U 6.269E+08 0.000E+00 a 0 - - - 15437 29.218 1.842 1.649 4 U 3.483E+08 0.000E+00 a 0 - - - 15439 27.163 1.837 1.838 3 U 1.438E+09 0.000E+00 a 0 CB.B44 HB2.B44 HB2.B44 #VC 0.27370 #QU 0.338 #SUP 0.93 15439 27.163 1.837 1.838 3 U 1.438E+09 0.000E+00 a 0 CB.B44 HB3.B44 HB3.B44 #VC 0.72630 #QU 0.898 #SUP 0.93 15456 67.474 1.822 3.275 1 U 9.670E+07 0.000E+00 a 0 CA.B27 HB.B30 HA.B27 #QU 0.964 #SUP 0.96 15467 59.059 1.826 3.920 2 U 6.433E+08 0.000E+00 a 0 CA.B29 QB.B32 HA.B29 #VC 0.54540 #QU 0.469 #SUP 0.73 15467 59.059 1.826 3.920 2 U 6.433E+08 0.000E+00 a 0 CA.B44 HB3.B44 HA.B44 #VC 0.45460 #QU 0.496 #SUP 0.73 15476 38.317 1.827 1.825 1 U 6.771E+08 0.000E+00 a 0 CB.B30 HB.B30 HB.B30 #SUP 1.00 15484 29.259 1.809 1.589 2 U 4.844E+08 0.000E+00 a 0 CD.B32 QB.B32 HD3.B32 #QU 0.953 #SUP 0.95 15488 25.999 1.817 1.350 2 U 1.990E+08 0.000E+00 a 0 CG.B32 QB.B32 HG3.B32 #QU 0.819 #SUP 0.82 15494 18.228 1.829 0.823 1 U 5.201E+08 0.000E+00 a 0 CG2.B30 HB.B30 QG2.B30 #QU 0.287 #SUP 0.29 15517 58.489 1.787 3.722 1 U 2.138E+08 0.000E+00 a 0 CA.B28 HB2.B28 HA.B28 #QU 0.935 #SUP 0.93 15528 41.495 1.799 1.807 1 U 1.378E+09 0.000E+00 a 0 CB.B8 HB2.B8 HB2.B8 #VC 0.52261 #QU 0.989 #SUP 1.00 15528 41.495 1.799 1.807 1 U 1.378E+09 0.000E+00 a 0 CB.B28 HB2.B28 HB2.B28 #VC 0.47739 #QU 0.903 #SUP 1.00 15535 32.334 1.807 1.809 2 U 2.405E+09 0.000E+00 a 0 CB.B32 QB.B32 QB.B32 #QU 0.946 #SUP 0.95 15540 26.150 1.809 1.581 2 U 3.401E+08 0.000E+00 a 0 CG.B32 QB.B32 HG2.B32 #QU 0.972 #SUP 0.97 15565 57.033 1.772 4.268 1 U 1.938E+08 0.000E+00 a 0 CA.B16 HB2.B16 HA.B16 #QU 0.947 #SUP 0.95 15574 41.288 1.780 1.209 4 U 2.479E+08 0.000E+00 a 0 - - - 15632 57.046 1.722 4.213 1 U 2.111E+08 0.000E+00 a 0 CA.B37 QB.B37 HA.B37 #QU 0.999 #SUP 1.00 15633 57.159 1.735 4.020 1 U 9.839E+07 0.000E+00 a 0 CA.B15 QB.B15 HA.B15 #QU 0.935 #SUP 0.94 15640 41.221 1.730 2.752 1 U 7.715E+07 0.000E+00 a 0 CB.B34 QB.B37 HB2.B34 #QU 0.988 #SUP 0.99 15641 41.199 1.717 2.556 1 U 8.934E+07 0.000E+00 a 0 CB.B34 QB.B37 HB3.B34 #QU 0.694 #SUP 0.69 15737 57.041 1.659 4.268 2 U 1.907E+08 0.000E+00 a 0 CA.B16 HG2.B16 HA.B16 #VC 0.54353 #QU 0.934 #SUP 0.99 15737 57.041 1.659 4.268 2 U 1.907E+08 0.000E+00 a 0 CA.B16 QD.B16 HA.B16 #VC 0.45647 #QU 0.773 #SUP 0.99 15755 29.309 1.648 1.653 2 U 1.013E+10 0.000E+00 a 0 CD.B16 QD.B16 QD.B16 #VC 0.49920 #QU 0.994 #SUP 1.00 15755 29.309 1.648 1.653 2 U 1.013E+10 0.000E+00 a 0 CD.B32 HD2.B32 HD2.B32 #VC 0.50080 #QU 0.997 #SUP 1.00 15759 25.801 1.648 1.656 2 U 1.541E+09 0.000E+00 a 0 CG.B16 HG2.B16 HG2.B16 #QU 0.939 #SUP 0.94 15817 25.571 1.638 1.447 2 U 9.701E+08 0.000E+00 a 0 CG.B16 HG2.B16 HG3.B16 #VC 0.47262 #QU 0.865 #SUP 1.00 15817 25.571 1.638 1.447 2 U 9.701E+08 0.000E+00 a 0 CG.B16 QD.B16 HG3.B16 #VC 0.52738 #QU 0.965 #SUP 1.00 15820 18.233 1.630 0.823 4 U 2.828E+08 0.000E+00 a 0 - - - #QU 0.128 15823 14.470 1.632 0.724 2 U 9.685E+07 0.000E+00 a 0 CD1.B30 HB2.B11 QD1.B30 #QU 0.659 #SUP 0.66 15837 65.655 1.614 3.475 1 U 5.477E+07 0.000E+00 a 0 CA.B42 QG.B45 HA.B42 #QU 0.774 #SUP 0.77 15843 58.884 1.609 3.921 2 U 3.119E+08 0.000E+00 a 0 CA.B29 HD3.B32 HA.B29 #QU 0.514 #SUP 0.51 15844 58.336 1.605 3.978 1 U 3.922E+08 0.000E+00 a 0 CA.B8 HB3.B8 HA.B8 #VC 0.39498 #QU 0.437 #SUP 0.81 15844 58.336 1.605 3.978 1 U 3.922E+08 0.000E+00 a 0 CA.B11 HB2.B11 HA.B11 #VC 0.60502 #QU 0.669 #SUP 0.81 15845 56.127 1.611 3.872 1 U 9.804E+07 0.000E+00 a 0 CA.B45 QG.B45 HA.B45 #QU 0.790 #SUP 0.79 15851 41.443 1.618 2.217 4 U 2.903E+08 0.000E+00 a 0 - - - 15859 28.840 1.633 1.894 4 U 2.541E+08 0.000E+00 a 0 - - - 15882 64.191 1.585 4.378 2 U 6.288E+07 0.000E+00 a 0 CA.B5 HB3.B8 HA.B5 #QU 0.783 #SUP 0.78 15897 41.436 1.621 1.622 1 U 1.023E+09 0.000E+00 a 0 CB.B11 HB2.B11 HB2.B11 #QU 0.997 #SUP 1.00 15899 32.385 1.592 1.817 2 U 4.628E+08 0.000E+00 a 0 CB.B32 HG2.B32 QB.B32 #VC 0.48021 #QU 0.775 #SUP 0.96 15899 32.385 1.592 1.817 2 U 4.628E+08 0.000E+00 a 0 CB.B32 HD3.B32 QB.B32 #VC 0.51979 #QU 0.839 #SUP 0.96 15902 29.344 1.592 1.589 2 U 6.703E+09 0.000E+00 a 0 CD.B32 HD3.B32 HD3.B32 #QU 0.996 #SUP 1.00 15904 26.083 1.583 1.584 2 U 1.794E+09 0.000E+00 a 0 CG.B32 HG2.B32 HG2.B32 #QU 0.994 #SUP 0.99 15905 26.070 1.579 1.349 2 U 8.087E+08 0.000E+00 a 0 CG.B32 HG2.B32 HG3.B32 #VC 0.50456 #QU 0.997 #SUP 1.00 15905 26.070 1.579 1.349 2 U 8.087E+08 0.000E+00 a 0 CG.B32 HD3.B32 HG3.B32 #VC 0.49544 #QU 0.979 #SUP 1.00 16019 59.135 1.499 4.238 1 U 1.952E+08 0.000E+00 a 0 CA.B36 QB.B39 HA.B36 #QU 0.978 #SUP 0.98 16020 59.073 1.484 3.962 1 U 2.154E+08 0.000E+00 a 0 CA.B9 HG.B12 HA.B9 #QU 0.328 #SUP 0.33 16021 58.537 1.492 3.860 1 U 1.986E+08 0.000E+00 a 0 CA.B12 HG.B12 HA.B12 #QU 0.966 #SUP 0.97 16024 57.036 1.496 4.212 1 U 1.650E+08 0.000E+00 a 0 CA.B37 QB.B39 HA.B37 #QU 0.575 #SUP 0.57 16025 55.214 1.497 4.092 1 U 5.385E+08 0.000E+00 a 0 CA.B39 QB.B39 HA.B39 #VC 0.64126 #QU 0.976 #SUP 0.99 16025 55.214 1.497 4.092 1 U 5.385E+08 0.000E+00 a 0 CA.B40 QB.B40 HA.B40 #VC 0.35874 #QU 0.546 #SUP 0.99 16027 55.058 1.494 4.128 1 U 5.963E+08 0.000E+00 a 0 CA.B40 QB.B40 HA.B40 #QU 0.986 #SUP 0.99 16031 41.453 1.495 1.894 3 U 4.353E+08 0.000E+00 a 0 CB.B12 HG.B12 HB2.B12 #QU 0.905 #SUP 0.90 16051 18.060 1.495 1.497 1 U 2.006E+10 0.000E+00 a 0 CB.B39 QB.B39 QB.B39 #VC 0.54014 #QU 0.989 #SUP 1.00 16051 18.060 1.495 1.497 1 U 2.006E+10 0.000E+00 a 0 CB.B40 QB.B40 QB.B40 #VC 0.45986 #QU 0.842 #SUP 1.00 16073 58.450 1.475 3.721 1 U 1.378E+08 0.000E+00 a 0 CA.B28 HB3.B28 HA.B28 #QU 0.965 #SUP 0.97 16074 57.135 1.468 4.018 1 U 1.284E+08 0.000E+00 a 0 CA.B15 HG.B15 HA.B15 #QU 0.880 #SUP 0.88 16080 41.597 1.479 1.480 1 U 1.196E+09 0.000E+00 a 0 CB.B28 HB3.B28 HB3.B28 #QU 0.985 #SUP 0.98 16115 57.071 1.455 4.265 2 U 1.707E+08 0.000E+00 a 0 CA.B16 HG.B15 HA.B16 #VC 0.51552 #QU 0.683 #SUP 0.97 16115 57.071 1.455 4.265 2 U 1.707E+08 0.000E+00 a 0 CA.B16 HG3.B16 HA.B16 #VC 0.48448 #QU 0.895 #SUP 0.97 16135 32.663 1.455 1.784 2 U 1.121E+08 0.000E+00 a 0 CB.B16 HG.B15 HB2.B16 #VC 0.51823 #QU 0.656 #SUP 0.94 16135 32.663 1.455 1.784 2 U 1.121E+08 0.000E+00 a 0 CB.B16 HG3.B16 HB2.B16 #VC 0.48177 #QU 0.837 #SUP 0.94 16140 32.279 1.446 1.910 3 U 1.454E+08 0.000E+00 a 0 CB.B43 HG2.B43 QB.B43 #VC 0.49738 #QU 0.815 #SUP 0.97 16140 32.279 1.446 1.910 3 U 1.454E+08 0.000E+00 a 0 CB.B43 QD.B43 QB.B43 #VC 0.50262 #QU 0.823 #SUP 0.97 16148 25.571 1.446 1.658 2 U 4.525E+08 0.000E+00 a 0 CG.B16 HG3.B16 HG2.B16 #QU 0.991 #SUP 0.99 16149 25.144 1.437 1.450 2 U 2.246E+09 0.000E+00 a 0 CG.B43 HG2.B43 HG2.B43 #QU 0.769 #SUP 0.77 16278 59.162 1.349 3.898 2 U 1.674E+08 0.000E+00 a 0 CA.B32 HG3.B32 HA.B32 #QU 0.961 #SUP 0.96 16281 54.934 1.357 4.172 1 U 4.017E+08 0.000E+00 a 0 CA.B7 QB.B7 HA.B7 #QU 0.927 #SUP 0.93 16290 32.344 1.360 1.830 4 U 1.332E+08 0.000E+00 a 0 - - - 16292 29.324 1.359 1.587 2 U 6.021E+08 0.000E+00 a 0 CD.B32 HG3.B32 HD3.B32 #QU 0.985 #SUP 0.99 16294 26.093 1.350 1.581 2 U 4.617E+08 0.000E+00 a 0 CG.B32 HG3.B32 HG2.B32 #QU 0.999 #SUP 1.00 16297 24.950 1.363 1.354 2 U 2.017E+09 0.000E+00 a 0 CG.B43 HG3.B43 HG3.B43 #QU 0.958 #SUP 0.96 16302 18.602 1.355 1.357 1 U 9.693E+09 0.000E+00 a 0 CB.B7 QB.B7 QB.B7 #QU 0.992 #SUP 0.99 16307 18.189 1.353 0.823 4 U 1.553E+08 0.000E+00 a 0 - - - 16441 60.298 1.247 4.635 1 U 2.054E+08 0.000E+00 a 0 CA.B3 QG2.B3 HA.B3 #QU 0.985 #SUP 0.99 16468 69.390 1.241 4.155 1 U 3.078E+08 0.000E+00 a 0 CB.B3 QG2.B3 HB.B3 #QU 0.955 #SUP 0.95 16470 66.901 1.230 3.974 1 U 2.270E+08 0.000E+00 a 0 CA.B14 QG2.B14 HA.B14 #QU 0.998 #SUP 1.00 16501 23.144 1.229 1.230 1 U 9.021E+09 0.000E+00 a 0 CG2.B14 QG2.B14 QG2.B14 #QU 0.986 #SUP 0.99 16505 21.716 1.242 1.243 1 U 1.893E+10 0.000E+00 a 0 CG2.B3 QG2.B3 QG2.B3 #SUP 1.00 16528 58.423 1.211 3.861 1 U 1.314E+08 0.000E+00 a 0 CA.B12 QG2.B14 HA.B12 #QU 0.229 #SUP 0.23 16544 41.332 1.210 1.788 4 U 2.288E+08 0.000E+00 a 0 - - - 16545 41.309 1.209 1.209 4 U 2.602E+08 0.000E+00 a 0 - - - 16987 67.469 0.922 3.277 1 U 3.343E+08 0.000E+00 a 0 CA.B27 QG1.B27 HA.B27 #VC 0.69044 #QU 0.983 #SUP 0.99 16987 67.469 0.922 3.277 1 U 3.343E+08 0.000E+00 a 0 CA.B27 QG1.B30 HA.B27 #VC 0.30956 #QU 0.366 #SUP 0.99 17010 31.467 0.930 2.210 1 U 2.138E+08 0.000E+00 a 0 CB.B27 QG1.B27 HB.B27 #QU 0.992 #SUP 0.99 17019 23.274 0.931 1.230 2 U 4.825E+08 0.000E+00 a 0 CG2.B14 QG1.B27 QG2.B14 #QU 0.626 #SUP 0.63 17029 13.709 0.930 0.935 1 U 1.087E+10 0.000E+00 a 0 CD1.B42 QD1.B42 QD1.B42 #QU 0.962 #SUP 0.96 17035 68.659 0.908 4.186 2 U 9.016E+07 0.000E+00 a 0 CB.B14 QG1.B27 HB.B14 #QU 0.254 #SUP 0.25 17037 65.644 0.900 3.479 1 U 3.790E+08 0.000E+00 a 0 CA.B42 QG2.B42 HA.B42 #VC 0.74773 #QU 0.895 #SUP 0.92 17037 65.644 0.900 3.479 1 U 3.790E+08 0.000E+00 a 0 CA.B42 QD1.B42 HA.B42 #VC 0.25227 #QU 0.278 #SUP 0.92 17046 55.253 0.918 4.086 1 U 1.752E+08 0.000E+00 a 0 CA.B39 QD1.B42 HA.B39 #QU 0.968 #SUP 0.97 17052 41.446 0.896 2.219 4 U 2.046E+08 0.000E+00 a 0 - - - 17054 38.163 0.907 1.907 1 U 3.756E+08 0.000E+00 a 0 CB.B42 QG2.B42 HB.B42 #VC 0.50000 #QU 0.785 #SUP 0.95 17054 38.163 0.907 1.907 1 U 3.756E+08 0.000E+00 a 0 CB.B42 QD1.B42 HB.B42 #VC 0.50000 #QU 0.785 #SUP 0.95 17088 64.117 0.881 4.374 1 U 7.943E+07 0.000E+00 a 0 CA.B5 QD1.B8 HA.B5 #QU 0.536 #SUP 0.54 17089 63.539 0.895 3.964 2 U 5.662E+07 0.000E+00 a 0 CB.B46 QG2.B42 HB3.B46 #QU 0.578 #SUP 0.58 17091 60.074 0.883 4.272 1 U 9.711E+07 0.000E+00 a 0 CA.B46 QG2.B42 HA.B46 #QU 0.890 #SUP 0.89 17093 58.376 0.884 3.976 1 U 7.112E+08 0.000E+00 a 0 CA.B11 QQD.B11 HA.B11 #QU 0.470 #SUP 0.47 17103 41.476 0.882 1.619 1 U 4.017E+08 0.000E+00 a 0 CB.B11 QQD.B11 HB2.B11 #VC 0.59583 #QU 0.778 #SUP 0.86 17103 41.476 0.882 1.619 1 U 4.017E+08 0.000E+00 a 0 CB.B11 QG1.B30 HB2.B11 #VC 0.40417 #QU 0.359 #SUP 0.86 17114 24.906 0.873 1.446 2 U 1.053E+08 0.000E+00 a 0 CG.B43 QG2.B42 HG2.B43 #QU 0.554 #SUP 0.55 17133 17.064 0.894 0.893 1 U 1.072E+10 0.000E+00 a 0 CG2.B42 QG2.B42 QG2.B42 #QU 0.979 #SUP 0.98 17149 62.141 0.853 3.868 2 U 1.585E+08 0.000E+00 a 0 CA.B41 QQD.B12 HA.B41 #QU 0.378 #SUP 0.38 17151 59.676 0.868 3.663 4 U 1.374E+08 0.000E+00 a 0 - - - 17162 41.490 0.866 1.893 2 U 2.438E+08 0.000E+00 a 0 CB.B12 QQD.B12 HB2.B12 #QU 0.911 #SUP 0.91 17164 40.279 0.869 2.943 2 U 7.002E+07 0.000E+00 a 0 CB.B41 QD1.B8 HB2.B41 #VC 0.48912 #QU 0.303 #SUP 0.87 17164 40.279 0.869 2.943 2 U 7.002E+07 0.000E+00 a 0 CB.B41 QQD.B12 HB2.B41 #VC 0.51088 #QU 0.807 #SUP 0.87 17197 65.394 0.833 3.608 1 U 2.580E+08 0.000E+00 a 0 CA.B30 QG2.B30 HA.B30 #QU 0.993 #SUP 0.99 17205 58.489 0.826 3.859 2 U 4.694E+08 0.000E+00 a 0 CA.B31 QG2.B30 HA.B31 #QU 0.579 #SUP 0.58 17210 57.265 0.833 4.015 1 U 3.917E+08 0.000E+00 a 0 CA.B15 QQD.B15 HA.B15 #QU 0.907 #SUP 0.91 17212 54.965 0.837 4.167 2 U 9.516E+07 0.000E+00 a 0 CA.B7 QQD.B11 HA.B7 #QU 0.271 #SUP 0.27 17222 41.786 0.830 1.475 1 U 4.131E+08 0.000E+00 a 0 CB.B28 QD2.B28 HB3.B28 #QU 0.880 #SUP 0.88 17223 41.490 0.849 1.810 3 U 4.276E+08 0.000E+00 a 0 CB.B8 QD1.B8 HB2.B8 #VC 0.55226 #QU 0.927 #SUP 0.98 17223 41.490 0.849 1.810 3 U 4.276E+08 0.000E+00 a 0 CB.B28 QD2.B28 HB2.B28 #VC 0.44774 #QU 0.752 #SUP 0.98 17224 41.647 0.834 1.482 1 U 4.099E+08 0.000E+00 a 0 CB.B28 QD2.B28 HB3.B28 #QU 0.972 #SUP 0.97 17225 41.230 0.826 2.756 1 U 8.379E+07 0.000E+00 a 0 CB.B34 QG2.B30 HB2.B34 #VC 0.48688 #QU 0.838 #SUP 0.99 17225 41.230 0.826 2.756 1 U 8.379E+07 0.000E+00 a 0 CB.B34 QQD.B37 HB2.B34 #VC 0.51312 #QU 0.941 #SUP 0.99 17227 41.073 0.826 2.553 1 U 9.943E+07 0.000E+00 a 0 CB.B34 QQD.B37 HB3.B34 #QU 0.633 #SUP 0.63 17229 38.304 0.836 1.828 1 U 2.511E+08 0.000E+00 a 0 CB.B30 QG2.B30 HB.B30 #QU 0.980 #SUP 0.98 17236 28.444 0.845 2.194 1 U 6.394E+07 0.000E+00 a 0 CB.B10 QQD.B11 QB.B10 #QU 0.662 #SUP 0.66 17264 58.476 0.821 3.721 1 U 3.106E+08 0.000E+00 a 0 CA.B28 QD2.B28 HA.B28 #QU 0.811 #SUP 0.81 17265 57.049 0.819 4.213 1 U 3.556E+08 0.000E+00 a 0 CA.B37 QQD.B37 HA.B37 #QU 0.984 #SUP 0.98 17294 18.581 0.822 1.357 1 U 4.013E+08 0.000E+00 a 0 CB.B7 QQD.B37 QB.B7 #QU 0.619 #SUP 0.62 17295 18.222 0.822 0.823 1 U 8.520E+09 0.000E+00 a 0 CG2.B30 QG2.B30 QG2.B30 #QU 0.285 #SUP 0.28 17423 14.460 0.722 0.724 1 U 7.261E+09 0.000E+00 a 0 CD1.B30 QD1.B30 QD1.B30 #QU 0.973 #SUP 0.97 17475 67.500 0.669 3.277 4 U 2.417E+08 0.000E+00 a 0 - - - 17533 31.437 0.650 2.207 4 U 1.717E+08 0.000E+00 a 0 - - - 17774 58.408 0.478 3.861 3 U 2.221E+08 0.000E+00 a 0 CA.B12 QD2.B31 HA.B12 #VC 0.54999 #QU 0.877 #SUP 0.98 17774 58.408 0.478 3.861 3 U 2.221E+08 0.000E+00 a 0 CA.B31 QD2.B31 HA.B31 #VC 0.45001 #QU 0.810 #SUP 0.98 17783 41.234 0.480 1.771 3 U 7.379E+07 0.000E+00 a 0 CB.B12 QD2.B31 HB3.B12 #QU 0.669 #SUP 0.67 17784 41.256 0.475 1.215 4 U 6.955E+07 0.000E+00 a 0 - - - 18455 41.306 0.047 1.208 4 U 7.431E+07 0.000E+00 a 0 - - - 20328 60.343 4.268 4.275 1 U 2.569E+09 0.000E+00 a 0 CA.B46 HA.B46 HA.B46 #QU 0.930 #SUP 0.93 20329 60.343 3.933 4.271 1 U 4.803E+08 0.000E+00 a 0 CA.B46 HB2.B46 HA.B46 #VC 0.40262 #QU 0.642 #SUP 0.98 20329 60.343 3.933 4.271 1 U 4.803E+08 0.000E+00 a 0 CA.B46 HB3.B46 HA.B46 #VC 0.59738 #QU 0.953 #SUP 0.98 20330 68.719 4.175 4.191 1 U 9.585E+08 0.000E+00 a 0 CB.B14 HB.B14 HB.B14 #QU 0.937 #SUP 0.94 20331 64.531 4.782 3.994 3 U 5.094E+07 0.000E+00 a 0 CB.B33 HG.B33 QB.B33 #QU 0.894 #SUP 0.89 20332 64.145 7.864 4.375 1 U 5.105E+07 0.000E+00 a 0 CA.B5 H.B8 HA.B5 #QU 0.690 #SUP 0.69 20333 64.145 8.380 4.375 1 U 2.901E+08 0.000E+00 a 0 CA.B5 H.B6 HA.B5 #QU 0.951 #SUP 0.95 20334 63.400 8.189 4.224 3 U 4.912E+07 0.000E+00 a 0 CB.B20 H.B22 HB2.B20 #QU 0.609 #SUP 0.61 20335 63.400 8.197 4.128 1 U 4.156E+07 0.000E+00 a 0 CB.B20 H.B22 HB3.B20 #QU 0.747 #SUP 0.75 20336 63.400 7.777 4.128 1 U 4.170E+07 0.000E+00 a 0 CB.B20 H.B20 HB3.B20 #QU 0.820 #SUP 0.82 20338 55.862 8.221 4.316 1 U 1.703E+08 0.000E+00 a 0 CA.B49 H.B49 HA.B49 #QU 0.855 #SUP 0.86 20341 50.650 8.370 3.892 2 U 7.441E+07 0.000E+00 a 0 CD.B18 H.B19 HD2.B18 #QU 0.842 #SUP 0.84 20345 18.086 4.245 1.492 1 U 5.473E+08 0.000E+00 a 0 CB.B39 HA.B36 QB.B39 #QU 0.920 #SUP 0.92 3738 25.022 3.925 1.360 2 U 1.096E+08 0.000E+00 a 0 CG.B43 HA.B43 HG3.B43 #QU 0.557 #SUP 0.56 3739 14.468 8.020 0.723 1 U 1.664E+08 0.000E+00 a 0 CD1.B30 H.B30 QD1.B30 #QU 0.984 #SUP 0.98 3740 14.468 8.178 0.728 1 U 1.377E+08 0.000E+00 a 0 CD1.B30 H.B27 QD1.B30 #VC 0.36745 #QU 0.515 #SUP 0.98 3740 14.468 8.178 0.728 1 U 1.377E+08 0.000E+00 a 0 CD1.B30 H.B31 QD1.B30 #VC 0.63255 #QU 0.961 #SUP 0.98 24014 41.395 0.045 1.785 3 U 4.861E+07 0.000E+00 a 0 CB.B12 QD1.B31 HB3.B12 #VC 0.68940 #QU 0.723 #SUP 0.80 24014 41.395 0.045 1.785 3 U 4.861E+07 0.000E+00 a 0 CB.B28 QD1.B31 HB2.B28 #VC 0.31060 #QU 0.282 #SUP 0.80 24016 40.339 3.365 3.363 4 U 2.624E+08 0.000E+00 a 0 - - - 24017 40.339 2.932 3.370 4 U 2.327E+08 0.000E+00 a 0 - - - 24018 40.339 0.870 3.365 4 U 5.178E+07 0.000E+00 a 0 - - - 24019 40.339 0.476 3.363 4 U 3.367E+07 0.000E+00 a 0 - - - 24020 40.339 0.476 2.940 3 U 4.151E+07 0.000E+00 a 0 CB.B41 QD2.B31 HB2.B41 #QU 0.978 #SUP 0.98 24021 40.339 3.869 3.365 4 U 6.901E+07 0.000E+00 a 0 - - - 24022 40.339 4.075 3.365 4 U 4.815E+07 0.000E+00 a 0 - - - 24023 40.339 4.067 2.940 1 U 3.764E+07 0.000E+00 a 0 CB.B41 HA.B38 HB2.B41 #QU 0.657 #SUP 0.66 24024 40.339 6.953 3.363 4 U 9.012E+07 0.000E+00 a 0 - - - 24025 40.339 8.607 3.368 4 U 1.451E+08 0.000E+00 a 0 - - - 24026 40.339 3.368 2.940 4 U 2.408E+08 0.000E+00 a 0 - - - 24027 41.428 8.454 1.214 4 U 3.257E+07 0.000E+00 a 0 - - - 24028 41.428 8.188 1.209 4 U 5.222E+07 0.000E+00 a 0 - - - 24029 62.874 2.425 4.019 3 U 3.973E+07 0.000E+00 a 0 CB.B17 QG.B13 HB2.B17 #QU 0.923 #SUP 0.92 24030 62.874 2.075 4.019 3 U 4.681E+07 0.000E+00 a 0 CB.B17 QB.B18 HB2.B17 #QU 0.567 #SUP 0.57 24031 62.874 2.075 4.103 4 U 4.587E+07 0.000E+00 a 0 - - - #QU 0.009 24032 62.874 2.435 4.082 4 U 3.587E+07 0.000E+00 a 0 - - - 24033 56.102 3.093 3.876 3 U 1.389E+08 0.000E+00 a 0 CA.B45 QD.B45 HA.B45 #QU 0.805 #SUP 0.81 24034 56.102 2.558 3.873 4 U 7.112E+07 0.000E+00 a 0 - - - 24035 56.102 1.363 3.871 4 U 9.222E+07 0.000E+00 a 0 - - - 24036 56.102 0.872 3.871 3 U 4.124E+07 0.000E+00 a 0 CA.B45 QG2.B42 HA.B45 #QU 0.786 #SUP 0.79 24037 59.092 1.225 4.074 4 U 3.987E+07 0.000E+00 a 0 - - - 24038 59.092 0.483 4.064 4 U 9.850E+07 0.000E+00 a 0 - - - 24039 58.565 0.029 3.724 1 U 5.930E+07 0.000E+00 a 0 CA.B28 QD1.B31 HA.B28 #QU 0.541 #SUP 0.54 24040 58.565 0.674 3.724 4 U 4.746E+07 0.000E+00 a 0 - - - 24041 58.565 1.201 3.722 4 U 3.995E+07 0.000E+00 a 0 - - - 24042 60.236 4.878 4.638 4 U 1.339E+08 0.000E+00 a 0 - - - 24043 60.236 2.074 4.636 4 U 4.943E+07 0.000E+00 a 0 - - - 24044 60.236 2.351 4.273 1 U 7.446E+07 0.000E+00 a 0 CA.B46 QG.B47 HA.B46 #QU 0.669 #SUP 0.67 24045 60.236 2.085 4.265 4 U 4.740E+07 0.000E+00 a 0 - - - 24046 60.236 1.904 4.278 4 U 2.974E+07 0.000E+00 a 0 - - - 24047 59.268 1.803 4.484 1 U 4.276E+07 0.000E+00 a 0 CA.B33 QB.B32 HA.B33 #QU 0.909 #SUP 0.91 24048 58.213 4.896 4.628 4 U 2.970E+08 0.000E+00 a 0 - - - 24049 59.092 8.042 4.257 1 U 1.082E+08 0.000E+00 a 0 CA.B36 H.B39 HA.B36 #QU 0.680 #SUP 0.68 24050 50.562 5.341 3.904 4 U 2.786E+08 0.000E+00 a 0 - - - 24051 50.562 5.357 3.643 3 U 2.646E+08 0.000E+00 a 0 CD.B35 HA.B34 HD2.B35 #QU 0.507 #SUP 0.51 24052 38.250 3.289 1.826 1 U 4.917E+07 0.000E+00 a 0 CB.B30 HA.B27 HB.B30 #QU 0.906 #SUP 0.91 24053 38.250 3.613 1.831 1 U 4.544E+07 0.000E+00 a 0 CB.B30 HA.B30 HB.B30 #QU 0.990 #SUP 0.99 24054 38.250 3.963 1.826 3 U 2.126E+07 0.000E+00 a 0 CB.B30 QB.B33 HB.B30 #QU 0.778 #SUP 0.78 24055 31.390 4.067 2.212 4 U 5.773E+07 0.000E+00 a 0 - - - 24056 31.390 4.396 2.202 4 U 3.769E+07 0.000E+00 a 0 - - - 24057 28.840 1.387 1.868 4 U 8.879E+07 0.000E+00 a 0 - - - 24058 28.840 0.933 1.884 4 U 3.597E+08 0.000E+00 a 0 - - - 24059 28.840 0.745 1.873 4 U 2.102E+08 0.000E+00 a 0 - - - 24060 28.840 3.615 1.884 4 U 7.624E+07 0.000E+00 a 0 - - - 24061 28.840 3.897 1.873 4 U 5.000E+07 0.000E+00 a 0 - - - 24062 24.680 0.781 0.797 4 U 1.308E+10 0.000E+00 a 0 - - - 24063 24.680 1.650 0.802 4 U 4.836E+08 0.000E+00 a 0 - - - 24064 24.680 3.960 0.802 4 U 1.656E+08 0.000E+00 a 0 - - - 24065 25.880 0.044 0.045 1 U 2.384E+09 0.000E+00 a 0 CD1.B31 QD1.B31 QD1.B31 #QU 0.977 #SUP 0.98 24066 25.770 0.491 0.045 1 U 1.765E+08 0.000E+00 a 0 CD1.B31 QD2.B31 QD1.B31 #QU 0.895 #SUP 0.89 24067 25.770 0.661 0.052 4 U 1.058E+08 0.000E+00 a 0 - - - 24068 25.770 0.852 0.058 1 U 1.538E+08 0.000E+00 a 0 CD1.B31 QQD.B12 QD1.B31 #VC 0.52344 #QU 0.852 #SUP 0.91 24068 25.770 0.852 0.058 1 U 1.538E+08 0.000E+00 a 0 CD1.B31 QD2.B28 QD1.B31 #VC 0.47656 #QU 0.367 #SUP 0.91 24069 25.770 1.205 0.052 3 U 5.608E+07 0.000E+00 a 0 CD1.B31 QG2.B14 QD1.B31 #QU 0.438 #SUP 0.44 24070 25.770 1.730 0.052 3 U 2.395E+08 0.000E+00 a 0 CD1.B31 HB3.B12 QD1.B31 #QU 0.535 #SUP 0.54 24071 25.770 3.732 0.052 3 U 4.740E+07 0.000E+00 a 0 CD1.B31 HA.B28 QD1.B31 #QU 0.675 #SUP 0.67 24072 25.770 3.863 0.052 1 U 4.268E+07 0.000E+00 a 0 CD1.B31 HA.B12 QD1.B31 #VC 0.50671 #QU 0.983 #SUP 1.00 24072 25.770 3.863 0.052 1 U 4.268E+07 0.000E+00 a 0 CD1.B31 HA.B31 QD1.B31 #VC 0.49329 #QU 0.962 #SUP 1.00 24073 25.770 8.191 0.058 1 U 7.440E+07 0.000E+00 a 0 CD1.B31 H.B31 QD1.B31 #QU 0.822 #SUP 0.82 24074 22.361 0.478 0.478 1 U 5.746E+09 0.000E+00 a 0 CD2.B31 QD2.B31 QD2.B31 #QU 0.969 #SUP 0.97 24075 22.361 0.052 0.478 1 U 2.614E+08 0.000E+00 a 0 CD2.B31 QD1.B31 QD2.B31 #QU 0.969 #SUP 0.97 24076 22.361 0.871 0.478 2 U 4.636E+08 0.000E+00 a 0 CD2.B31 QD1.B8 QD2.B31 #VC 0.46023 #QU 0.221 #SUP 0.85 24076 22.361 0.871 0.478 2 U 4.636E+08 0.000E+00 a 0 CD2.B31 QQD.B12 QD2.B31 #VC 0.53977 #QU 0.809 #SUP 0.85 24077 22.361 1.199 0.478 4 U 1.047E+08 0.000E+00 a 0 - - - 24078 22.361 1.749 0.484 3 U 4.633E+08 0.000E+00 a 0 CD2.B31 HB3.B12 QD2.B31 #VC 0.57363 #QU 0.666 #SUP 0.80 24078 22.361 1.749 0.484 3 U 4.633E+08 0.000E+00 a 0 CD2.B31 QB.B38 QD2.B31 #VC 0.42637 #QU 0.396 #SUP 0.80 24079 22.361 2.388 0.484 4 U 5.389E+07 0.000E+00 a 0 - - - 24080 22.361 2.939 0.484 1 U 8.614E+07 0.000E+00 a 0 CD2.B31 HB2.B41 QD2.B31 #QU 0.855 #SUP 0.85 24081 22.361 3.365 0.484 4 U 7.975E+07 0.000E+00 a 0 - - - 24082 22.361 3.863 0.484 1 U 3.708E+08 0.000E+00 a 0 CD2.B31 HA.B31 QD2.B31 #QU 0.732 #SUP 0.73 24083 22.361 4.060 0.478 1 U 2.041E+08 0.000E+00 a 0 CD2.B31 HA.B38 QD2.B31 #QU 0.567 #SUP 0.57 24084 22.361 8.200 0.491 1 U 1.080E+08 0.000E+00 a 0 CD2.B31 H.B31 QD2.B31 #QU 0.487 #SUP 0.49 24085 22.361 8.593 0.484 1 U 1.219E+08 0.000E+00 a 0 CD2.B31 H.B41 QD2.B31 #QU 0.886 #SUP 0.89 24086 21.180 0.649 0.648 4 U 8.039E+09 0.000E+00 a 0 - - - 24087 21.180 0.052 0.648 4 U 1.042E+08 0.000E+00 a 0 - - - 24088 21.180 0.898 0.648 4 U 1.174E+09 0.000E+00 a 0 - - - 24089 21.180 1.735 0.642 4 U 1.739E+08 0.000E+00 a 0 - - - 24090 21.180 2.213 0.642 4 U 3.425E+08 0.000E+00 a 0 - - - 24091 21.180 3.290 0.642 4 U 2.081E+08 0.000E+00 a 0 - - - 24092 21.180 3.696 0.648 4 U 9.231E+07 0.000E+00 a 0 - - - 24093 21.180 7.905 0.655 4 U 1.007E+08 0.000E+00 a 0 - - - 24094 21.180 8.193 0.648 4 U 2.057E+08 0.000E+00 a 0 - - - 24095 21.180 3.988 0.648 4 U 4.312E+07 0.000E+00 a 0 - - - 24096 21.255 0.917 0.918 4 U 1.043E+09 0.000E+00 a 0 - - - 24097 18.076 0.849 1.496 2 U 6.614E+08 0.000E+00 a 0 CB.B40 QD1.B8 QB.B40 #QU 0.398 #SUP 0.40 24098 18.380 8.039 1.496 4 U 6.140E+08 0.000E+00 a 0 - - - 24099 18.380 1.486 1.493 1 U 1.705E+10 0.000E+00 a 0 CB.B40 QB.B40 QB.B40 #QU 0.986 #SUP 0.99 24100 18.380 0.847 1.491 3 U 6.653E+08 0.000E+00 a 0 CB.B40 QD1.B8 QB.B40 #QU 0.441 #SUP 0.44 24101 21.600 3.982 1.241 3 U 1.028E+08 0.000E+00 a 0 CG2.B3 HD2.B4 QG2.B3 #QU 0.902 #SUP 0.90 24102 21.600 8.399 1.241 1 U 3.187E+08 0.000E+00 a 0 CG2.B3 H.B3 QG2.B3 #QU 0.886 #SUP 0.89 24103 23.230 2.094 1.231 4 U 3.913E+08 0.000E+00 a 0 - - - 24104 23.230 2.259 1.226 3 U 1.581E+08 0.000E+00 a 0 CG2.B14 HB2.B26 QG2.B14 #QU 0.610 #SUP 0.61 24105 23.230 3.282 1.231 3 U 4.188E+07 0.000E+00 a 0 CG2.B14 HA.B27 QG2.B14 #QU 0.896 #SUP 0.90 24106 23.230 8.166 1.231 1 U 2.910E+08 0.000E+00 a 0 CG2.B14 H.B14 QG2.B14 #VC 0.48531 #QU 0.647 #SUP 0.90 24106 23.230 8.166 1.231 1 U 2.910E+08 0.000E+00 a 0 CG2.B14 H.B27 QG2.B14 #VC 0.51469 #QU 0.719 #SUP 0.90 24107 23.230 8.395 1.231 1 U 1.991E+08 0.000E+00 a 0 CG2.B14 H.B15 QG2.B14 #QU 0.604 #SUP 0.60 24108 25.102 1.647 1.456 4 U 8.992E+08 0.000E+00 a 0 - - - 24109 25.102 1.628 1.352 4 U 4.873E+08 0.000E+00 a 0 - - - 24110 25.102 2.924 1.354 4 U 4.063E+07 0.000E+00 a 0 - - - 24111 25.102 2.916 1.451 4 U 6.543E+07 0.000E+00 a 0 - - - 24112 41.201 7.858 2.547 3 U 3.467E+07 0.000E+00 a 0 CB.B34 H.B8 HB3.B34 #VC 0.30074 #QU 0.276 #SUP 0.93 24112 41.201 7.858 2.547 3 U 3.467E+07 0.000E+00 a 0 CB.B34 H.B37 HB3.B34 #VC 0.69926 #QU 0.905 #SUP 0.93 24113 41.201 7.860 2.751 3 U 3.252E+07 0.000E+00 a 0 CB.B34 H.B37 HB2.B34 #QU 0.992 #SUP 0.99 24114 41.201 3.883 2.754 3 U 3.789E+07 0.000E+00 a 0 CB.B34 HA.B31 HB2.B34 #QU 0.827 #SUP 0.83 24115 41.201 3.894 2.552 3 U 3.645E+07 0.000E+00 a 0 CB.B34 HA.B31 HB3.B34 #QU 0.573 #SUP 0.57 24116 41.201 1.358 2.547 3 U 4.667E+07 0.000E+00 a 0 CB.B34 QB.B7 HB3.B34 #QU 0.900 #SUP 0.90 24117 41.201 1.347 2.749 3 U 2.994E+07 0.000E+00 a 0 CB.B34 QB.B7 HB2.B34 #QU 0.985 #SUP 0.99 24118 41.201 3.097 2.555 4 U 3.929E+07 0.000E+00 a 0 - - - 24119 51.609 3.907 5.346 4 U 2.627E+08 0.000E+00 a 0 - - - 24120 51.609 3.637 5.352 4 U 2.392E+08 0.000E+00 a 0 - - - 24121 51.609 2.148 5.349 4 U 4.438E+07 0.000E+00 a 0 - - - 24122 51.609 2.070 5.349 4 U 4.542E+07 0.000E+00 a 0 - - - ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN . . 10 ppm . . . 4.7 . . 34187 2 2 . . H 1 HN . . 10 ppm . . . 4.7 . . 34187 2 3 . . N 15 N . . 20 ppm . . . 118 . . 34187 2 stop_ save_ save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 34187 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name 'Filtered NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 # FORMAT xeasy3D # INAME 1 N # INAME 2 H # INAME 3 HN # SPECTRUM N15NOESY N H HN 1 122.952 8.846 8.854 1 U 1.944E+08 0.000E+00 a 0 N.A3 H.A3 H.A3 #QU 0.527 #SUP 0.53 2 124.518 8.773 8.778 1 U 6.877E+08 0.000E+00 a 0 N.A24 H.A24 H.A24 #QU 0.563 #SUP 0.56 4 118.826 8.760 8.569 4 U 7.119E+07 0.000E+00 a 0 - - - 5 122.833 8.658 7.746 1 U 8.009E+07 0.000E+00 a 0 N.A30 H.A31 H.A30 #QU 0.422 #SUP 0.42 6 120.588 8.657 8.659 1 U 9.739E+08 0.000E+00 a 0 N.A31 H.A31 H.A31 #QU 0.617 #SUP 0.62 7 118.370 8.657 7.876 1 U 6.506E+07 0.000E+00 a 0 N.A32 H.A31 H.A32 #QU 0.452 #SUP 0.45 8 122.798 8.640 8.096 1 U 8.829E+07 0.000E+00 a 0 N.A18 H.A19 H.A18 #QU 0.411 #SUP 0.41 9 119.428 8.643 8.645 1 U 4.581E+08 0.000E+00 a 0 N.A19 H.A19 H.A19 #QU 0.536 #SUP 0.54 10 113.641 8.642 7.942 1 U 1.252E+08 0.000E+00 a 0 N.A20 H.A19 H.A20 #QU 0.563 #SUP 0.56 13 121.289 8.599 8.603 1 U 1.534E+09 0.000E+00 a 0 N.A37 H.A37 H.A37 #QU 0.535 #SUP 0.53 14 119.995 8.596 7.864 1 U 8.647E+07 0.000E+00 a 0 N.A38 H.A37 H.A38 #QU 0.500 #SUP 0.50 15 118.212 8.601 8.062 1 U 1.092E+08 0.000E+00 a 0 N.A36 H.A37 H.A36 #QU 0.643 #SUP 0.64 16 125.572 8.581 8.585 1 U 8.903E+08 0.000E+00 a 0 N.A23 H.A23 H.A23 #QU 0.616 #SUP 0.62 17 124.498 8.574 8.777 1 U 5.440E+07 0.000E+00 a 0 N.A24 H.A23 H.A24 #VC 0.25793 #QU 0.235 #SUP 0.73 17 124.498 8.574 8.777 1 U 5.440E+07 0.000E+00 a 0 N.A24 H.A25 H.A24 #VC 0.74207 #QU 0.645 #SUP 0.73 18 120.474 8.560 7.969 4 U 5.952E+07 0.000E+00 a 0 - - - 19 118.838 8.566 8.570 1 U 1.093E+09 0.000E+00 a 0 N.A25 H.A25 H.A25 #QU 0.654 #SUP 0.65 22 121.710 8.421 8.430 2 U 2.903E+09 0.000E+00 a 0 N.A15 H.A15 H.A15 #QU 0.463 #SUP 0.46 24 119.899 8.425 8.060 1 U 1.129E+08 0.000E+00 a 0 N.A9 H.A8 H.A9 #QU 0.487 #SUP 0.49 25 121.293 8.398 8.235 1 U 6.038E+07 0.000E+00 a 0 N.A7 H.A6 H.A7 #QU 0.683 #SUP 0.68 27 110.582 8.405 8.414 1 U 1.124E+09 0.000E+00 a 0 N.A44 H.A44 H.A44 #QU 0.505 #SUP 0.50 28 120.313 8.389 7.916 1 U 3.475E+08 0.000E+00 a 0 N.A14 H.A13 H.A14 #QU 0.832 #SUP 0.83 29 122.093 8.360 8.366 1 U 3.970E+08 0.000E+00 a 0 N.A5 H.A5 H.A5 #QU 0.632 #SUP 0.63 30 120.294 8.357 8.365 1 U 2.065E+09 0.000E+00 a 0 N.A13 H.A13 H.A13 #QU 0.486 #SUP 0.49 31 119.308 8.370 8.376 1 U 9.562E+08 0.000E+00 a 0 N.A6 H.A6 H.A6 #VC 0.48759 #QU 0.933 #SUP 1.00 31 119.308 8.370 8.376 1 U 9.562E+08 0.000E+00 a 0 N.A16 H.A16 H.A16 #VC 0.51241 #QU 0.981 #SUP 1.00 32 113.765 8.369 7.879 1 U 1.315E+08 0.000E+00 a 0 N.A17 H.A16 H.A17 #QU 0.614 #SUP 0.61 33 121.142 8.339 8.347 1 U 1.555E+09 0.000E+00 a 0 N.A43 H.A43 H.A43 #QU 0.560 #SUP 0.56 34 116.406 8.324 8.331 1 U 4.439E+08 0.000E+00 a 0 N.A4 H.A4 H.A4 #QU 0.511 #SUP 0.51 35 121.986 8.297 8.303 1 U 1.089E+09 0.000E+00 a 0 N.A42 H.A42 H.A42 #QU 0.647 #SUP 0.65 36 121.738 8.246 8.429 1 U 4.529E+07 0.000E+00 a 0 N.A8 H.A7 H.A8 #QU 0.742 #SUP 0.74 37 121.338 8.231 8.235 1 U 1.048E+09 0.000E+00 a 0 N.A7 H.A7 H.A7 #QU 0.685 #SUP 0.68 38 120.514 8.253 8.259 1 U 8.444E+08 0.000E+00 a 0 N.A12 H.A12 H.A12 #QU 0.611 #SUP 0.61 39 119.304 8.251 7.842 4 U 1.290E+08 0.000E+00 a 0 - - - 42 118.136 8.168 8.173 1 U 2.228E+09 0.000E+00 a 0 N.A41 H.A41 H.A41 #QU 0.810 #SUP 0.81 43 125.388 8.144 8.149 4 U 7.848E+07 0.000E+00 a 0 - - - 44 119.019 8.154 7.949 4 U 5.932E+07 0.000E+00 a 0 - - - 45 119.425 8.095 8.642 1 U 4.880E+07 0.000E+00 a 0 N.A19 H.A18 H.A19 #QU 0.566 #SUP 0.57 47 123.758 8.080 8.091 4 U 6.883E+07 0.000E+00 a 0 - - - 48 122.793 8.090 8.095 1 U 1.085E+09 0.000E+00 a 0 N.A18 H.A18 H.A18 #QU 0.594 #SUP 0.59 49 113.767 8.090 7.879 1 U 1.502E+08 0.000E+00 a 0 N.A17 H.A18 H.A17 #QU 0.558 #SUP 0.56 50 121.855 8.051 8.430 1 U 1.411E+08 0.000E+00 a 0 N.A8 H.A9 H.A8 #QU 0.383 #SUP 0.38 51 121.326 8.054 8.061 1 U 1.341E+09 0.000E+00 a 0 N.A28 H.A28 H.A28 #QU 0.511 #SUP 0.51 52 121.282 8.053 8.603 1 U 9.735E+07 0.000E+00 a 0 N.A37 H.A36 H.A37 #QU 0.531 #SUP 0.53 53 119.897 8.054 8.061 1 U 2.684E+09 0.000E+00 a 0 N.A9 H.A9 H.A9 #QU 0.549 #SUP 0.55 54 118.232 8.056 8.062 1 U 1.432E+09 0.000E+00 a 0 N.A36 H.A36 H.A36 #QU 0.686 #SUP 0.69 55 116.917 8.028 8.036 4 U 5.037E+07 0.000E+00 a 0 - - - 56 115.823 8.024 8.033 1 U 1.483E+09 0.000E+00 a 0 N.A34 H.A34 H.A34 #QU 0.504 #SUP 0.50 57 107.808 8.038 7.855 1 U 3.496E+08 0.000E+00 a 0 N.A35 H.A34 H.A35 #QU 0.780 #SUP 0.78 58 123.573 7.992 7.998 4 U 1.795E+09 0.000E+00 a 0 - - - 59 118.832 7.963 8.571 4 U 8.135E+07 0.000E+00 a 0 - - - 60 116.276 7.952 7.962 4 U 1.765E+08 0.000E+00 a 0 - - - 66 115.228 7.953 7.962 1 U 8.487E+09 0.000E+00 a 0 N.A45 H.A45 H.A45 #QU 0.656 #SUP 0.66 68 119.046 7.943 7.953 1 U 4.701E+09 0.000E+00 a 0 N.A40 H.A40 H.A40 #QU 0.631 #SUP 0.63 69 118.130 7.941 8.172 1 U 9.011E+07 0.000E+00 a 0 N.A41 H.A40 H.A41 #QU 0.587 #SUP 0.59 70 118.037 7.943 7.967 4 U 1.089E+08 0.000E+00 a 0 - - - 71 117.372 7.943 7.964 4 U 7.159E+07 0.000E+00 a 0 - - - 72 116.868 7.946 7.963 4 U 1.103E+08 0.000E+00 a 0 - - - 73 114.593 7.929 7.585 1 U 5.463E+07 0.000E+00 a 0 N.A21 H.A20 H.A21 #QU 0.581 #SUP 0.58 75 113.659 7.932 7.942 1 U 2.047E+09 0.000E+00 a 0 N.A20 H.A20 H.A20 #QU 0.774 #SUP 0.77 76 123.119 7.909 7.921 4 U 6.259E+07 0.000E+00 a 0 - - - 77 122.511 7.909 7.922 4 U 9.322E+07 0.000E+00 a 0 - - - 78 121.414 7.905 8.426 1 U 1.867E+08 0.000E+00 a 0 N.A15 H.A14 H.A15 #QU 0.477 #SUP 0.48 82 121.281 7.913 7.924 1 U 4.086E+09 0.000E+00 a 0 N.A10 H.A10 H.A10 #VC 0.45112 #QU 0.648 #SUP 0.93 82 121.281 7.913 7.924 1 U 4.086E+09 0.000E+00 a 0 N.A39 H.A39 H.A39 #VC 0.54888 #QU 0.788 #SUP 0.93 84 120.329 7.906 7.916 1 U 2.574E+09 0.000E+00 a 0 N.A14 H.A14 H.A14 #QU 0.774 #SUP 0.77 85 122.774 7.881 8.095 1 U 1.071E+08 0.000E+00 a 0 N.A18 H.A17 H.A18 #QU 0.730 #SUP 0.73 86 121.307 7.898 8.059 1 U 2.487E+08 0.000E+00 a 0 N.A28 H.A27 H.A28 #VC 0.46806 #QU 0.267 #SUP 0.51 86 121.307 7.898 8.059 1 U 2.487E+08 0.000E+00 a 0 N.A28 H.A29 H.A28 #VC 0.53194 #QU 0.331 #SUP 0.51 87 120.293 7.901 8.364 1 U 1.894E+08 0.000E+00 a 0 N.A13 H.A14 H.A13 #QU 0.481 #SUP 0.48 88 120.135 7.888 8.131 4 U 4.463E+07 0.000E+00 a 0 - - - 89 119.296 7.880 8.379 1 U 5.875E+07 0.000E+00 a 0 N.A16 H.A17 H.A16 #QU 0.796 #SUP 0.80 90 121.276 7.860 8.603 2 U 1.011E+08 0.000E+00 a 0 N.A37 H.A38 H.A37 #QU 0.536 #SUP 0.54 91 120.592 7.857 8.662 4 U 9.177E+07 0.000E+00 a 0 - - - 92 120.018 7.859 7.866 1 U 2.057E+09 0.000E+00 a 0 N.A11 H.A11 H.A11 #VC 0.43538 #QU 0.483 #SUP 0.81 92 120.018 7.859 7.866 1 U 2.057E+09 0.000E+00 a 0 N.A38 H.A38 H.A38 #VC 0.56462 #QU 0.627 #SUP 0.81 93 119.223 7.862 7.879 1 U 5.012E+08 0.000E+00 a 0 N.A27 H.A27 H.A27 #QU 0.815 #SUP 0.81 94 118.367 7.866 7.876 4 U 1.145E+09 0.000E+00 a 0 - - - 95 116.997 7.872 7.885 1 U 2.719E+08 0.000E+00 a 0 N.A29 H.A29 H.A29 #QU 0.871 #SUP 0.87 96 114.809 7.864 7.880 4 U 5.217E+07 0.000E+00 a 0 - - - 97 113.767 7.870 7.879 1 U 2.167E+09 0.000E+00 a 0 N.A17 H.A17 H.A17 #QU 0.504 #SUP 0.50 98 120.520 7.844 8.256 1 U 9.441E+07 0.000E+00 a 0 N.A12 H.A11 H.A12 #QU 0.397 #SUP 0.40 99 119.290 7.834 7.841 4 U 1.478E+09 0.000E+00 a 0 - - - 100 118.236 7.851 8.061 1 U 1.634E+08 0.000E+00 a 0 N.A36 H.A35 H.A36 #QU 0.503 #SUP 0.50 101 115.836 7.849 8.033 1 U 1.643E+08 0.000E+00 a 0 N.A34 H.A35 H.A34 #QU 0.695 #SUP 0.69 102 107.806 7.845 7.854 1 U 1.731E+09 0.000E+00 a 0 N.A35 H.A35 H.A35 #QU 0.693 #SUP 0.69 103 122.842 7.740 7.745 4 U 7.270E+08 0.000E+00 a 0 - - - 104 120.588 7.742 8.660 4 U 1.117E+08 0.000E+00 a 0 - - - 105 112.698 7.693 7.686 4 U 7.301E+07 0.000E+00 a 0 - - - 109 112.807 7.614 7.621 4 U 2.303E+09 0.000E+00 a 0 - - - 110 112.826 7.613 6.937 4 U 9.998E+08 0.000E+00 a 0 - - - 111 114.648 7.585 7.593 1 U 5.054E+08 0.000E+00 a 0 N.A21 H.A21 H.A21 #QU 0.815 #SUP 0.82 112 113.642 7.584 7.941 1 U 1.006E+08 0.000E+00 a 0 N.A20 H.A21 H.A20 #QU 0.738 #SUP 0.74 115 112.499 7.566 7.573 4 U 4.978E+09 0.000E+00 a 0 - - - 119 118.983 7.518 7.520 1 U 5.317E+08 0.000E+00 a 0 N.A22 H.A22 H.A22 #QU 0.884 #SUP 0.88 125 117.927 7.504 7.510 4 U 5.823E+07 0.000E+00 a 0 - - - 126 115.315 7.502 7.510 4 U 1.052E+08 0.000E+00 a 0 - - - 134 124.040 7.460 7.465 4 U 9.450E+07 0.000E+00 a 0 - - - 139 110.280 7.187 7.194 4 U 2.522E+09 0.000E+00 a 0 - - - 141 110.298 7.188 6.758 4 U 1.154E+09 0.000E+00 a 0 - - - 144 112.829 6.928 7.621 4 U 1.289E+09 0.000E+00 a 0 - - - 145 112.806 6.928 6.937 4 U 2.468E+09 0.000E+00 a 0 - - - 147 115.276 6.830 6.841 4 U 6.592E+07 0.000E+00 a 0 - - - 148 114.688 6.830 6.841 4 U 8.950E+07 0.000E+00 a 0 - - - 153 112.501 6.843 7.573 4 U 1.738E+09 0.000E+00 a 0 - - - 168 110.302 6.749 7.194 4 U 1.485E+09 0.000E+00 a 0 - - - 169 110.282 6.749 6.758 4 U 1.913E+09 0.000E+00 a 0 - - - 173 124.040 4.764 7.467 4 U 2.428E+08 0.000E+00 a 0 - - - 174 122.955 4.762 8.855 4 U 4.461E+08 0.000E+00 a 0 - - - 175 122.096 4.766 8.367 4 U 4.610E+08 0.000E+00 a 0 - - - 176 121.918 4.770 8.429 4 U 1.500E+08 0.000E+00 a 0 - - - 177 116.402 4.763 8.332 4 U 5.203E+08 0.000E+00 a 0 - - - 178 115.207 4.762 7.963 4 U 8.271E+07 0.000E+00 a 0 - - - 179 112.493 4.762 7.573 4 U 1.407E+08 0.000E+00 a 0 - - - 180 112.394 4.761 6.842 4 U 1.125E+08 0.000E+00 a 0 - - - 181 121.983 4.761 8.303 3 U 4.903E+08 0.000E+00 a 0 N.A42 HG.A41 H.A42 #QU 0.469 #SUP 0.47 182 121.329 4.749 8.236 4 U 3.158E+08 0.000E+00 a 0 - - - 183 121.322 4.757 7.923 3 U 5.203E+07 0.000E+00 a 0 N.A39 HG.A41 H.A39 #QU 0.528 #SUP 0.53 184 121.133 4.761 8.348 4 U 5.296E+08 0.000E+00 a 0 - - - 185 120.017 4.757 7.868 4 U 5.732E+07 0.000E+00 a 0 - - - 186 119.461 4.759 8.388 4 U 3.790E+08 0.000E+00 a 0 - - - 187 119.065 4.757 7.951 1 U 4.921E+07 0.000E+00 a 0 N.A40 HG.A41 H.A40 #QU 0.537 #SUP 0.54 188 118.126 4.761 8.174 1 U 3.667E+08 0.000E+00 a 0 N.A41 HG.A41 H.A41 #QU 0.623 #SUP 0.62 189 114.641 4.758 7.595 1 U 7.303E+07 0.000E+00 a 0 N.A21 HG.A20 H.A21 #QU 0.713 #SUP 0.71 190 113.640 4.759 7.942 1 U 5.654E+07 0.000E+00 a 0 N.A20 HG.A20 H.A20 #QU 0.722 #SUP 0.72 191 112.806 4.760 7.621 4 U 1.363E+08 0.000E+00 a 0 - - - 192 112.834 4.757 6.937 4 U 7.501E+07 0.000E+00 a 0 - - - 193 112.385 4.761 7.510 4 U 1.880E+08 0.000E+00 a 0 - - - 194 110.576 4.760 8.414 4 U 5.648E+08 0.000E+00 a 0 - - - 195 114.650 4.656 7.586 1 U 5.127E+07 0.000E+00 a 0 N.A21 HA.A21 H.A21 #QU 0.868 #SUP 0.87 196 121.338 4.566 8.237 1 U 1.222E+08 0.000E+00 a 0 N.A7 HA.A7 H.A7 #QU 0.918 #SUP 0.92 197 121.856 4.544 8.430 1 U 2.534E+08 0.000E+00 a 0 N.A8 HA.A7 H.A8 #QU 0.561 #SUP 0.56 199 125.570 4.443 8.585 1 U 8.175E+07 0.000E+00 a 0 N.A23 HA.A23 H.A23 #QU 0.459 #SUP 0.46 200 124.518 4.456 8.778 1 U 1.656E+08 0.000E+00 a 0 N.A24 HA.A23 H.A24 #QU 0.697 #SUP 0.70 201 122.035 4.357 8.364 1 U 1.092E+08 0.000E+00 a 0 N.A5 HA.A5 H.A5 #QU 0.867 #SUP 0.87 202 116.412 4.445 8.333 1 U 7.814E+07 0.000E+00 a 0 N.A4 HA.A4 H.A4 #QU 0.885 #SUP 0.88 203 120.314 4.421 8.366 1 U 1.349E+08 0.000E+00 a 0 N.A13 HA.A13 H.A13 #QU 0.695 #SUP 0.70 204 120.306 4.419 7.915 1 U 7.401E+07 0.000E+00 a 0 N.A14 HA.A13 H.A14 #QU 0.761 #SUP 0.76 205 118.141 4.410 8.172 4 U 1.199E+08 0.000E+00 a 0 - - - 206 122.035 4.369 8.307 4 U 1.650E+08 0.000E+00 a 0 - - - 207 121.286 4.394 8.602 1 U 9.256E+07 0.000E+00 a 0 N.A37 HA.A37 H.A37 #QU 0.578 #SUP 0.58 208 120.016 4.395 7.867 1 U 1.451E+08 0.000E+00 a 0 N.A38 HA.A37 H.A38 #QU 0.708 #SUP 0.71 209 121.362 4.340 8.061 3 U 4.760E+07 0.000E+00 a 0 N.A28 HA.A25 H.A28 #QU 0.262 #SUP 0.26 210 118.831 4.352 8.570 1 U 7.645E+07 0.000E+00 a 0 N.A25 HA.A25 H.A25 #QU 0.782 #SUP 0.78 211 122.968 4.323 8.854 1 U 4.886E+07 0.000E+00 a 0 N.A3 HA.A3 H.A3 #QU 0.732 #SUP 0.73 212 121.135 4.332 8.350 1 U 1.623E+08 0.000E+00 a 0 N.A43 HA.A43 H.A43 #QU 0.795 #SUP 0.80 213 116.408 4.322 8.330 1 U 8.625E+07 0.000E+00 a 0 N.A4 HA.A3 H.A4 #QU 0.675 #SUP 0.67 214 110.564 4.334 8.413 1 U 7.190E+07 0.000E+00 a 0 N.A44 HA.A43 H.A44 #QU 0.741 #SUP 0.74 215 125.574 4.310 8.585 3 U 2.025E+08 0.000E+00 a 0 N.A23 HA.A22 H.A23 #QU 0.599 #SUP 0.60 216 119.395 4.304 8.384 1 U 1.202E+08 0.000E+00 a 0 N.A16 HA.A16 H.A16 #QU 0.899 #SUP 0.90 217 118.960 4.306 7.519 3 U 5.176E+07 0.000E+00 a 0 N.A22 HA.A22 H.A22 #QU 0.604 #SUP 0.60 218 113.656 4.290 7.942 1 U 1.701E+08 0.000E+00 a 0 N.A20 HA.A20 H.A20 #QU 0.606 #SUP 0.61 219 121.408 4.253 7.920 1 U 3.093E+08 0.000E+00 a 0 N.A39 HA.A39 H.A39 #QU 0.726 #SUP 0.73 220 120.009 4.252 7.866 1 U 1.275E+08 0.000E+00 a 0 N.A38 HA.A38 H.A38 #QU 0.904 #SUP 0.90 221 119.050 4.259 7.953 1 U 2.479E+08 0.000E+00 a 0 N.A40 HA.A39 H.A40 #QU 0.813 #SUP 0.81 222 115.832 4.250 8.032 1 U 1.124E+08 0.000E+00 a 0 N.A34 HA.A31 H.A34 #VC 0.50000 #QU 0.281 #SUP 0.82 222 115.832 4.250 8.032 1 U 1.124E+08 0.000E+00 a 0 N.A34 HA.A34 H.A34 #VC 0.50000 #QU 0.744 #SUP 0.82 223 118.201 4.236 8.064 3 U 4.737E+07 0.000E+00 a 0 N.A36 HA.A31 H.A36 #QU 0.346 #SUP 0.35 224 107.809 4.245 7.854 1 U 8.055E+07 0.000E+00 a 0 N.A35 HA.A34 H.A35 #QU 0.758 #SUP 0.76 225 120.604 4.220 8.660 2 U 1.118E+08 0.000E+00 a 0 N.A31 HA.A28 H.A31 #QU 0.425 #SUP 0.42 227 121.318 4.191 8.060 1 U 1.330E+08 0.000E+00 a 0 N.A28 HA.A27 H.A28 #VC 0.58425 #QU 0.814 #SUP 0.92 227 121.318 4.191 8.060 1 U 1.330E+08 0.000E+00 a 0 N.A28 HA.A28 H.A28 #VC 0.41575 #QU 0.579 #SUP 0.92 228 120.394 4.186 7.967 4 U 5.942E+07 0.000E+00 a 0 - - - 229 120.287 4.188 8.368 3 U 6.839E+07 0.000E+00 a 0 N.A13 HA.A10 H.A13 #QU 0.518 #SUP 0.52 230 119.293 4.178 7.840 4 U 6.296E+07 0.000E+00 a 0 - - - 231 119.141 4.196 7.879 1 U 4.955E+07 0.000E+00 a 0 N.A27 HA.A26 H.A27 #VC 0.49239 #QU 0.969 #SUP 1.00 231 119.141 4.196 7.879 1 U 4.955E+07 0.000E+00 a 0 N.A27 HA.A27 H.A27 #VC 0.50761 #QU 0.999 #SUP 1.00 232 113.763 4.181 7.879 1 U 1.786E+08 0.000E+00 a 0 N.A17 HA.A17 H.A17 #QU 0.550 #SUP 0.55 233 122.840 4.174 7.742 4 U 4.918E+07 0.000E+00 a 0 - - - 234 122.795 4.162 8.096 1 U 1.125E+08 0.000E+00 a 0 N.A18 HA.A18 H.A18 #QU 0.675 #SUP 0.68 235 123.575 4.122 7.998 2 U 1.740E+08 0.000E+00 a 0 N.A33 HA.A32 H.A33 #QU 0.390 #SUP 0.39 236 118.973 4.113 7.520 1 U 7.723E+07 0.000E+00 a 0 N.A22 HB.A22 H.A22 #QU 0.567 #SUP 0.57 237 118.352 4.120 7.875 1 U 1.370E+08 0.000E+00 a 0 N.A32 HA.A32 H.A32 #QU 0.306 #SUP 0.31 238 115.814 4.126 8.035 1 U 7.535E+07 0.000E+00 a 0 N.A34 HA.A33 H.A34 #QU 0.532 #SUP 0.53 239 120.317 4.088 7.916 1 U 2.302E+08 0.000E+00 a 0 N.A14 HA.A14 H.A14 #QU 0.973 #SUP 0.97 240 119.290 4.065 7.842 4 U 1.097E+08 0.000E+00 a 0 - - - 241 118.136 4.058 8.173 1 U 2.013E+08 0.000E+00 a 0 N.A41 HA.A40 H.A41 #QU 0.839 #SUP 0.84 242 119.036 4.054 7.951 1 U 1.314E+08 0.000E+00 a 0 N.A40 HA.A40 H.A40 #QU 0.731 #SUP 0.73 243 124.519 4.029 8.778 4 U 5.268E+07 0.000E+00 a 0 - - - 244 118.236 3.994 8.062 1 U 1.766E+08 0.000E+00 a 0 N.A36 HA.A36 H.A36 #QU 0.856 #SUP 0.86 245 113.660 3.990 7.941 3 U 2.894E+08 0.000E+00 a 0 N.A20 HB3.A20 H.A20 #QU 0.875 #SUP 0.87 246 107.800 4.010 7.854 4 U 3.917E+08 0.000E+00 a 0 - - - 247 121.589 3.966 8.428 2 U 2.601E+08 0.000E+00 a 0 N.A15 HA.A12 H.A15 #QU 0.556 #SUP 0.56 248 121.294 3.984 8.602 3 U 1.477E+08 0.000E+00 a 0 N.A37 HA.A36 H.A37 #QU 0.576 #SUP 0.58 249 121.003 3.974 7.931 1 U 1.203E+08 0.000E+00 a 0 N.A10 HA.A9 H.A10 #QU 0.890 #SUP 0.89 250 120.521 3.985 8.260 1 U 1.049E+08 0.000E+00 a 0 N.A12 HA.A9 H.A12 #VC 0.49702 #QU 0.701 #SUP 0.97 250 120.521 3.985 8.260 1 U 1.049E+08 0.000E+00 a 0 N.A12 HA.A12 H.A12 #VC 0.50298 #QU 0.901 #SUP 0.97 251 120.285 3.977 8.365 1 U 7.709E+07 0.000E+00 a 0 N.A13 HA.A9 H.A13 #VC 0.27602 #QU 0.215 #SUP 0.83 251 120.285 3.977 8.365 1 U 7.709E+07 0.000E+00 a 0 N.A13 HA.A12 H.A13 #VC 0.72398 #QU 0.788 #SUP 0.83 252 119.893 3.969 8.060 1 U 2.287E+08 0.000E+00 a 0 N.A9 HA.A9 H.A9 #QU 0.617 #SUP 0.62 253 119.324 3.969 8.381 2 U 5.130E+07 0.000E+00 a 0 N.A16 HA.A12 H.A16 #QU 0.705 #SUP 0.70 254 114.652 3.987 7.593 2 U 7.605E+07 0.000E+00 a 0 N.A21 HB3.A20 H.A21 #QU 0.869 #SUP 0.87 255 122.780 3.956 8.095 3 U 1.263E+08 0.000E+00 a 0 N.A18 HB2.A17 H.A18 #VC 0.54786 #QU 0.508 #SUP 0.71 255 122.780 3.956 8.095 3 U 1.263E+08 0.000E+00 a 0 N.A18 HB3.A17 H.A18 #VC 0.45214 #QU 0.405 #SUP 0.71 256 113.765 3.955 7.880 3 U 3.405E+08 0.000E+00 a 0 N.A17 HB2.A17 H.A17 #VC 0.69041 #QU 0.565 #SUP 0.67 256 113.765 3.955 7.880 3 U 3.405E+08 0.000E+00 a 0 N.A17 HB3.A17 H.A17 #VC 0.30959 #QU 0.253 #SUP 0.67 257 110.586 3.951 8.415 1 U 7.578E+07 0.000E+00 a 0 N.A44 QA.A44 H.A44 #QU 0.675 #SUP 0.67 258 121.970 3.877 8.301 3 U 4.493E+07 0.000E+00 a 0 N.A42 HB2.A41 H.A42 #VC 0.49612 #QU 0.789 #SUP 0.96 258 121.970 3.877 8.301 3 U 4.493E+07 0.000E+00 a 0 N.A42 HB3.A41 H.A42 #VC 0.50388 #QU 0.801 #SUP 0.96 259 116.406 3.872 8.330 4 U 6.045E+07 0.000E+00 a 0 - - - 260 118.136 3.861 8.173 3 U 1.542E+08 0.000E+00 a 0 N.A41 HB2.A41 H.A41 #VC 0.48892 #QU 0.542 #SUP 0.80 260 118.136 3.861 8.173 3 U 1.542E+08 0.000E+00 a 0 N.A41 HB3.A41 H.A41 #VC 0.51108 #QU 0.566 #SUP 0.80 261 123.553 3.640 7.998 1 U 5.566E+07 0.000E+00 a 0 N.A33 HA.A30 H.A33 #QU 0.469 #SUP 0.47 262 122.838 3.640 7.746 1 U 5.451E+07 0.000E+00 a 0 N.A30 HA.A30 H.A30 #QU 0.450 #SUP 0.45 263 124.039 3.222 7.467 4 U 4.803E+07 0.000E+00 a 0 - - - 264 120.597 2.932 8.660 1 U 1.056E+08 0.000E+00 a 0 N.A31 HB2.A31 H.A31 #QU 0.715 #SUP 0.71 265 118.387 2.928 7.874 1 U 8.186E+07 0.000E+00 a 0 N.A32 HB2.A31 H.A32 #QU 0.433 #SUP 0.43 266 120.328 2.800 7.915 1 U 1.384E+08 0.000E+00 a 0 N.A14 HB2.A13 H.A14 #QU 0.551 #SUP 0.55 267 120.288 2.803 8.365 1 U 2.403E+08 0.000E+00 a 0 N.A13 HB2.A13 H.A13 #QU 0.511 #SUP 0.51 268 119.327 2.793 8.377 3 U 1.750E+08 0.000E+00 a 0 N.A6 HB3.A6 H.A6 #QU 0.767 #SUP 0.77 269 112.828 2.782 7.620 4 U 1.065E+08 0.000E+00 a 0 - - - 270 125.576 2.735 8.585 1 U 1.923E+08 0.000E+00 a 0 N.A23 HB2.A23 H.A23 #VC 0.39141 #QU 0.424 #SUP 0.84 270 125.576 2.735 8.585 1 U 1.923E+08 0.000E+00 a 0 N.A23 HB3.A23 H.A23 #VC 0.60859 #QU 0.716 #SUP 0.84 271 121.334 2.728 8.235 1 U 2.189E+08 0.000E+00 a 0 N.A7 QB.A7 H.A7 #QU 0.819 #SUP 0.82 272 113.756 2.737 7.879 4 U 1.606E+08 0.000E+00 a 0 - - - 273 121.827 2.717 8.430 1 U 1.758E+08 0.000E+00 a 0 N.A8 QB.A7 H.A8 #QU 0.488 #SUP 0.49 274 118.788 2.689 8.568 4 U 5.502E+07 0.000E+00 a 0 - - - 275 121.292 2.593 8.603 1 U 1.693E+08 0.000E+00 a 0 N.A37 QB.A37 H.A37 #QU 0.634 #SUP 0.63 276 120.047 2.596 7.867 1 U 6.265E+07 0.000E+00 a 0 N.A38 QB.A37 H.A38 #QU 0.780 #SUP 0.78 277 118.813 2.599 8.565 1 U 4.953E+07 0.000E+00 a 0 N.A25 HG3.A25 H.A25 #QU 0.733 #SUP 0.73 278 120.314 2.566 7.916 1 U 1.825E+08 0.000E+00 a 0 N.A14 QG.A14 H.A14 #QU 0.898 #SUP 0.90 279 110.272 2.561 7.194 4 U 1.013E+08 0.000E+00 a 0 - - - 280 120.600 2.449 8.661 3 U 6.816E+07 0.000E+00 a 0 N.A31 HB3.A31 H.A31 #QU 0.607 #SUP 0.61 281 118.367 2.450 7.876 3 U 5.274E+07 0.000E+00 a 0 N.A32 HB3.A31 H.A32 #QU 0.447 #SUP 0.45 282 124.503 2.337 8.780 1 U 4.715E+07 0.000E+00 a 0 N.A24 QG.A24 H.A24 #QU 0.859 #SUP 0.86 283 120.323 2.258 7.916 1 U 3.048E+08 0.000E+00 a 0 N.A14 QB.A14 H.A14 #QU 0.923 #SUP 0.92 284 121.682 2.220 8.428 1 U 1.620E+08 0.000E+00 a 0 N.A8 QG.A8 H.A8 #QU 0.445 #SUP 0.44 285 119.998 2.212 8.061 1 U 5.801E+07 0.000E+00 a 0 N.A9 QG.A8 H.A9 #QU 0.578 #SUP 0.58 286 118.830 2.161 8.569 4 U 1.462E+08 0.000E+00 a 0 - - - #QU 0.020 287 122.849 2.140 7.745 2 U 1.849E+08 0.000E+00 a 0 N.A30 QB.A29 H.A30 #QU 0.475 #SUP 0.47 288 120.609 2.147 8.661 1 U 1.207E+08 0.000E+00 a 0 N.A31 HB.A30 H.A31 #QU 0.560 #SUP 0.56 289 120.390 2.155 7.973 1 U 1.319E+08 0.000E+00 a 0 N.A26 QB.A26 H.A26 #QU 0.627 #SUP 0.63 290 124.515 2.074 8.778 1 U 1.212E+08 0.000E+00 a 0 N.A24 QB.A24 H.A24 #QU 0.831 #SUP 0.83 291 119.053 2.086 7.954 1 U 1.936E+08 0.000E+00 a 0 N.A40 HB.A40 H.A40 #QU 0.749 #SUP 0.75 292 118.138 2.087 8.173 1 U 6.636E+07 0.000E+00 a 0 N.A41 HB.A40 H.A41 #QU 0.791 #SUP 0.79 293 121.837 2.055 8.431 4 U 4.381E+08 0.000E+00 a 0 - - - 294 119.892 2.051 8.061 4 U 1.810E+08 0.000E+00 a 0 - - - 295 122.116 2.001 8.365 1 U 5.201E+07 0.000E+00 a 0 N.A5 HB3.A5 H.A5 #QU 0.857 #SUP 0.86 296 121.992 1.990 8.303 1 U 7.167E+07 0.000E+00 a 0 N.A42 HB3.A42 H.A42 #QU 0.729 #SUP 0.73 297 121.104 1.990 8.347 3 U 6.989E+07 0.000E+00 a 0 N.A43 HB3.A42 H.A43 #VC 0.53899 #QU 0.534 #SUP 0.82 297 121.104 1.990 8.347 3 U 6.989E+07 0.000E+00 a 0 N.A43 HB3.A43 H.A43 #VC 0.46101 #QU 0.611 #SUP 0.82 298 123.565 1.886 7.998 4 U 1.745E+08 0.000E+00 a 0 - - - 300 121.287 1.898 8.606 1 U 5.204E+07 0.000E+00 a 0 N.A37 HB.A36 H.A37 #VC 0.61764 #QU 0.644 #SUP 0.74 300 121.287 1.898 8.606 1 U 5.204E+07 0.000E+00 a 0 N.A37 QB.A38 H.A37 #VC 0.38236 #QU 0.266 #SUP 0.74 301 119.301 1.887 8.377 4 U 5.835E+07 0.000E+00 a 0 - - - 302 118.369 1.891 7.875 3 U 2.641E+08 0.000E+00 a 0 N.A32 HB2.A32 H.A32 #QU 0.255 #SUP 0.25 303 118.236 1.893 8.062 1 U 1.867E+08 0.000E+00 a 0 N.A36 HB.A36 H.A36 #QU 0.562 #SUP 0.56 304 121.003 1.870 7.930 1 U 2.500E+08 0.000E+00 a 0 N.A10 QB.A9 H.A10 #VC 0.65994 #QU 0.626 #SUP 0.74 304 121.003 1.870 7.930 1 U 2.500E+08 0.000E+00 a 0 N.A39 QB.A38 H.A39 #VC 0.34006 #QU 0.296 #SUP 0.74 305 120.355 1.860 7.914 2 U 5.074E+07 0.000E+00 a 0 N.A14 HB2.A12 H.A14 #QU 0.624 #SUP 0.62 306 119.895 1.872 8.061 1 U 4.906E+08 0.000E+00 a 0 N.A9 QB.A9 H.A9 #QU 0.634 #SUP 0.63 307 107.808 1.857 7.854 1 U 8.548E+07 0.000E+00 a 0 N.A35 HB2.A34 H.A35 #QU 0.807 #SUP 0.81 308 120.516 1.838 8.259 3 U 1.801E+08 0.000E+00 a 0 N.A12 HB2.A11 H.A12 #QU 0.460 #SUP 0.46 309 120.309 1.853 8.365 4 U 1.122E+08 0.000E+00 a 0 - - - 310 119.289 1.845 7.841 4 U 1.845E+08 0.000E+00 a 0 - - - 311 115.839 1.835 8.033 1 U 2.787E+08 0.000E+00 a 0 N.A34 HB2.A34 H.A34 #QU 0.791 #SUP 0.79 312 113.649 1.812 7.941 1 U 1.045E+08 0.000E+00 a 0 N.A20 HB2.A19 H.A20 #VC 0.53415 #QU 0.716 #SUP 0.89 312 113.649 1.812 7.941 1 U 1.045E+08 0.000E+00 a 0 N.A20 HB3.A19 H.A20 #VC 0.46585 #QU 0.624 #SUP 0.89 313 119.421 1.807 8.644 1 U 1.543E+08 0.000E+00 a 0 N.A19 HB2.A19 H.A19 #VC 0.55794 #QU 0.563 #SUP 0.76 313 119.421 1.807 8.644 1 U 1.543E+08 0.000E+00 a 0 N.A19 HB3.A19 H.A19 #VC 0.44206 #QU 0.446 #SUP 0.76 314 121.322 1.763 8.059 4 U 6.294E+07 0.000E+00 a 0 - - - #QU 0.065 315 122.839 1.724 7.746 3 U 1.019E+08 0.000E+00 a 0 N.A30 HG12.A30 H.A30 #QU 0.367 #SUP 0.37 316 120.014 1.728 7.866 1 U 1.645E+08 0.000E+00 a 0 N.A38 QD.A38 H.A38 #QU 0.811 #SUP 0.81 317 119.033 1.717 7.951 3 U 9.456E+07 0.000E+00 a 0 N.A40 HB3.A39 H.A40 #QU 0.441 #SUP 0.44 318 122.793 1.692 8.094 1 U 1.980E+08 0.000E+00 a 0 N.A18 HB3.A18 H.A18 #QU 0.836 #SUP 0.84 319 121.419 1.706 7.920 3 U 3.516E+08 0.000E+00 a 0 N.A39 QD.A38 H.A39 #QU 0.272 #SUP 0.27 320 119.276 1.681 7.841 4 U 1.476E+08 0.000E+00 a 0 - - - 321 119.151 1.659 7.885 1 U 6.737E+07 0.000E+00 a 0 N.A27 QB.A27 H.A27 #QU 0.999 #SUP 1.00 322 121.411 1.628 8.426 4 U 2.425E+08 0.000E+00 a 0 - - - 323 120.521 1.643 8.258 3 U 9.589E+07 0.000E+00 a 0 N.A12 HB3.A12 H.A12 #QU 0.855 #SUP 0.85 324 120.302 1.622 8.365 3 U 8.909E+07 0.000E+00 a 0 N.A13 HB3.A12 H.A13 #QU 0.523 #SUP 0.52 325 119.266 1.630 8.376 3 U 5.047E+07 0.000E+00 a 0 N.A16 HB3.A12 H.A16 #QU 0.681 #SUP 0.68 326 119.052 1.574 7.954 3 U 8.698E+07 0.000E+00 a 0 N.A40 HB2.A39 H.A40 #VC 0.56525 #QU 0.848 #SUP 0.93 326 119.052 1.574 7.954 3 U 8.698E+07 0.000E+00 a 0 N.A40 HG.A39 H.A40 #VC 0.43475 #QU 0.516 #SUP 0.93 327 118.364 1.555 7.874 3 U 4.916E+07 0.000E+00 a 0 N.A32 QB.A33 H.A32 #QU 0.452 #SUP 0.45 328 115.831 1.553 8.034 1 U 1.875E+08 0.000E+00 a 0 N.A34 QB.A33 H.A34 #QU 0.875 #SUP 0.88 329 107.790 1.566 7.856 2 U 5.938E+07 0.000E+00 a 0 N.A35 QB.A33 H.A35 #QU 0.697 #SUP 0.70 330 123.572 1.534 7.998 1 U 3.467E+08 0.000E+00 a 0 N.A33 QB.A33 H.A33 #QU 0.596 #SUP 0.60 331 121.324 1.530 8.060 4 U 2.959E+08 0.000E+00 a 0 - - - 332 120.535 1.481 8.255 3 U 5.976E+07 0.000E+00 a 0 N.A12 HG.A11 H.A12 #QU 0.518 #SUP 0.52 333 118.217 1.482 8.062 3 U 1.188E+08 0.000E+00 a 0 N.A36 HG12.A36 H.A36 #QU 0.723 #SUP 0.72 334 120.980 1.467 7.930 1 U 5.298E+08 0.000E+00 a 0 N.A10 QB.A10 H.A10 #QU 0.756 #SUP 0.76 335 120.261 1.470 8.363 3 U 4.917E+07 0.000E+00 a 0 N.A13 QB.A10 H.A13 #QU 0.513 #SUP 0.51 336 119.893 1.462 8.061 3 U 9.923E+07 0.000E+00 a 0 N.A9 HG2.A9 H.A9 #VC 0.48950 #QU 0.602 #SUP 0.85 336 119.893 1.462 8.061 3 U 9.923E+07 0.000E+00 a 0 N.A9 HG3.A9 H.A9 #VC 0.51050 #QU 0.627 #SUP 0.85 337 119.281 1.473 7.841 4 U 2.477E+08 0.000E+00 a 0 - - - 338 120.019 1.391 7.866 1 U 1.029E+08 0.000E+00 a 0 N.A38 QG.A38 H.A38 #QU 0.884 #SUP 0.88 339 113.632 1.326 7.943 3 U 4.695E+07 0.000E+00 a 0 N.A20 QG2.A22 H.A20 #QU 0.384 #SUP 0.38 340 125.585 1.282 8.586 3 U 8.821E+07 0.000E+00 a 0 N.A23 QG2.A22 H.A23 #QU 0.660 #SUP 0.66 341 118.243 1.268 8.062 3 U 1.268E+08 0.000E+00 a 0 N.A36 HG13.A36 H.A36 #QU 0.634 #SUP 0.63 342 122.839 1.032 7.742 4 U 5.238E+07 0.000E+00 a 0 - - - 343 119.041 0.912 7.953 1 U 2.920E+08 0.000E+00 a 0 N.A40 QQD.A39 H.A40 #VC 0.36081 #QU 0.439 #SUP 0.83 343 119.041 0.912 7.953 1 U 2.920E+08 0.000E+00 a 0 N.A40 QG1.A40 H.A40 #VC 0.18300 #QU 0.245 #SUP 0.83 343 119.041 0.912 7.953 1 U 2.920E+08 0.000E+00 a 0 N.A40 QG2.A40 H.A40 #VC 0.45618 #QU 0.600 #SUP 0.83 344 118.129 0.910 8.175 1 U 8.093E+07 0.000E+00 a 0 N.A41 QG1.A40 H.A41 #VC 0.43992 #QU 0.682 #SUP 0.96 344 118.129 0.910 8.175 1 U 8.093E+07 0.000E+00 a 0 N.A41 QG2.A40 H.A41 #VC 0.56008 #QU 0.868 #SUP 0.96 345 122.769 0.855 8.093 1 U 6.239E+07 0.000E+00 a 0 N.A18 QQD.A18 H.A18 #QU 0.599 #SUP 0.60 346 121.393 0.868 7.922 2 U 8.078E+07 0.000E+00 a 0 N.A10 QQD.A12 H.A10 #QU 0.448 #SUP 0.45 347 120.508 0.854 8.258 1 U 7.885E+07 0.000E+00 a 0 N.A12 QQD.A11 H.A12 #VC 0.49302 #QU 0.839 #SUP 0.98 347 120.508 0.854 8.258 1 U 7.885E+07 0.000E+00 a 0 N.A12 QQD.A12 H.A12 #VC 0.50698 #QU 0.863 #SUP 0.98 348 120.307 0.848 8.366 1 U 5.028E+07 0.000E+00 a 0 N.A13 QQD.A12 H.A13 #QU 0.858 #SUP 0.86 349 122.840 0.830 7.748 3 U 6.398E+07 0.000E+00 a 0 N.A30 QD1.A30 H.A30 #QU 0.403 #SUP 0.40 350 121.422 0.840 8.426 1 U 1.882E+08 0.000E+00 a 0 N.A15 QQD.A15 H.A15 #QU 0.339 #SUP 0.34 351 120.319 0.844 7.916 1 U 6.588E+07 0.000E+00 a 0 N.A14 QQD.A11 H.A14 #VC 0.53634 #QU 0.632 #SUP 0.84 351 120.319 0.844 7.916 1 U 6.588E+07 0.000E+00 a 0 N.A14 QQD.A12 H.A14 #VC 0.23270 #QU 0.371 #SUP 0.84 351 120.319 0.844 7.916 1 U 6.588E+07 0.000E+00 a 0 N.A14 QQD.A15 H.A14 #VC 0.23096 #QU 0.296 #SUP 0.84 352 119.262 0.838 7.842 4 U 9.697E+07 0.000E+00 a 0 - - - 353 110.292 0.835 7.194 4 U 4.468E+07 0.000E+00 a 0 - - - 354 121.290 0.816 8.602 3 U 5.051E+07 0.000E+00 a 0 N.A37 QG2.A36 H.A37 #QU 0.517 #SUP 0.52 355 118.234 0.820 8.062 3 U 8.838E+07 0.000E+00 a 0 N.A36 QG2.A36 H.A36 #QU 0.707 #SUP 0.71 356 107.835 0.782 7.853 1 U 4.794E+07 0.000E+00 a 0 N.A35 QQD.A34 H.A35 #QU 0.914 #SUP 0.91 357 115.841 0.769 8.033 1 U 1.332E+08 0.000E+00 a 0 N.A34 QQD.A34 H.A34 #QU 0.820 #SUP 0.82 358 120.581 0.750 8.664 2 U 5.741E+07 0.000E+00 a 0 N.A31 QG2.A30 H.A31 #QU 0.846 #SUP 0.85 359 113.711 4.754 7.872 1 U 2.142E+07 0.000E+00 a 0 N.A17 HG.A17 H.A17 #QU 0.691 #SUP 0.69 360 114.623 4.316 7.592 1 U 3.621E+07 0.000E+00 a 0 N.A21 HA.A20 H.A21 #QU 0.963 #SUP 0.96 361 115.184 3.764 7.957 1 U 3.214E+07 0.000E+00 a 0 N.A45 QA.A45 H.A45 #QU 0.845 #SUP 0.84 362 116.975 1.538 7.885 1 U 2.917E+07 0.000E+00 a 0 N.A29 QB.A28 H.A29 #QU 0.684 #SUP 0.68 363 116.975 2.109 7.885 4 U 4.311E+07 0.000E+00 a 0 - - - 364 116.975 2.376 7.888 1 U 2.730E+07 0.000E+00 a 0 N.A29 QG.A29 H.A29 #QU 0.995 #SUP 1.00 365 116.975 4.169 7.883 1 U 3.050E+07 0.000E+00 a 0 N.A29 HA.A27 H.A29 #VC 0.42744 #QU 0.266 #SUP 0.88 365 116.975 4.169 7.883 1 U 3.050E+07 0.000E+00 a 0 N.A29 HA.A29 H.A29 #VC 0.57256 #QU 0.833 #SUP 0.88 366 118.951 4.750 7.520 1 U 4.484E+07 0.000E+00 a 0 N.A22 HG1.A22 H.A22 #QU 0.564 #SUP 0.56 367 119.164 0.864 7.888 1 U 3.721E+07 0.000E+00 a 0 N.A27 QQD.A27 H.A27 #QU 0.994 #SUP 0.99 368 118.830 2.079 8.566 3 U 1.352E+08 0.000E+00 a 0 N.A25 QB.A24 H.A25 #VC 0.58559 #QU 0.774 #SUP 0.89 368 118.830 2.079 8.566 3 U 1.352E+08 0.000E+00 a 0 N.A25 HB3.A25 H.A25 #VC 0.41441 #QU 0.523 #SUP 0.89 369 118.830 4.027 8.569 4 U 4.159E+07 0.000E+00 a 0 - - - 370 119.377 7.935 8.651 1 U 4.131E+07 0.000E+00 a 0 N.A19 H.A20 H.A19 #QU 0.734 #SUP 0.73 371 119.377 4.099 8.643 1 U 4.496E+07 0.000E+00 a 0 N.A19 HA.A19 H.A19 #QU 0.698 #SUP 0.70 372 119.377 1.331 8.641 3 U 3.160E+07 0.000E+00 a 0 N.A19 HG.A19 H.A19 #VC 0.53641 #QU 0.377 #SUP 0.55 372 119.377 1.331 8.641 3 U 3.160E+07 0.000E+00 a 0 N.A19 QG2.A22 H.A19 #VC 0.46359 #QU 0.277 #SUP 0.55 373 119.377 0.822 8.646 4 U 4.403E+07 0.000E+00 a 0 - - - 374 120.263 2.689 8.366 1 U 1.498E+08 0.000E+00 a 0 N.A13 HB3.A13 H.A13 #QU 0.806 #SUP 0.81 375 119.868 4.724 8.060 4 U 3.024E+07 0.000E+00 a 0 - - - 376 119.868 2.727 8.062 3 U 3.351E+07 0.000E+00 a 0 N.A9 QB.A7 H.A9 #QU 0.536 #SUP 0.54 377 120.362 7.972 7.975 1 U 7.379E+08 0.000E+00 a 0 N.A26 H.A26 H.A26 #QU 0.335 #SUP 0.33 378 120.987 7.933 7.929 1 U 3.220E+09 0.000E+00 a 0 N.A10 H.A10 H.A10 #VC 0.62566 #QU 0.990 #SUP 1.00 378 120.987 7.933 7.929 1 U 3.220E+09 0.000E+00 a 0 N.A39 H.A39 H.A39 #VC 0.37434 #QU 0.593 #SUP 1.00 379 120.987 0.862 7.926 3 U 3.536E+07 0.000E+00 a 0 N.A10 QQD.A12 H.A10 #QU 0.846 #SUP 0.85 380 121.135 2.376 8.345 1 U 3.213E+07 0.000E+00 a 0 N.A43 QG.A42 H.A43 #VC 0.40856 #QU 0.530 #SUP 0.89 380 121.135 2.376 8.345 1 U 3.213E+07 0.000E+00 a 0 N.A43 QG.A43 H.A43 #VC 0.59144 #QU 0.767 #SUP 0.89 381 120.557 3.644 8.661 1 U 2.362E+07 0.000E+00 a 0 N.A31 HA.A30 H.A31 #QU 0.750 #SUP 0.75 382 120.557 1.846 8.664 2 U 2.404E+07 0.000E+00 a 0 N.A31 HB3.A32 H.A31 #QU 0.640 #SUP 0.64 383 120.557 1.535 8.666 3 U 2.665E+07 0.000E+00 a 0 N.A31 QB.A28 H.A31 #VC 0.39416 #QU 0.517 #SUP 0.92 383 120.557 1.535 8.666 3 U 2.665E+07 0.000E+00 a 0 N.A31 QB.A33 H.A31 #VC 0.60584 #QU 0.834 #SUP 0.92 384 121.439 8.424 8.427 1 U 2.335E+09 0.000E+00 a 0 N.A8 H.A8 H.A8 #VC 0.29390 #QU 0.225 #SUP 0.64 384 121.439 8.424 8.427 1 U 2.335E+09 0.000E+00 a 0 N.A15 H.A15 H.A15 #VC 0.70610 #QU 0.540 #SUP 0.64 385 124.469 2.735 8.779 1 U 3.704E+07 0.000E+00 a 0 N.A24 HB2.A23 H.A24 #VC 0.38698 #QU 0.504 #SUP 0.90 385 124.469 2.735 8.779 1 U 3.704E+07 0.000E+00 a 0 N.A24 HB3.A23 H.A24 #VC 0.61302 #QU 0.799 #SUP 0.90 386 125.502 2.122 8.587 4 U 2.228E+07 0.000E+00 a 0 - - - 387 122.736 1.787 8.098 1 U 1.665E+08 0.000E+00 a 0 N.A18 HB2.A18 H.A18 #QU 0.758 #SUP 0.76 388 123.648 0.804 8.001 3 U 3.982E+07 0.000E+00 a 0 N.A33 QQD.A34 H.A33 #QU 0.351 #SUP 0.35 389 118.328 3.223 7.877 3 U 2.126E+07 0.000E+00 a 0 N.A32 HD2.A32 H.A32 #VC 0.44656 #QU 0.304 #SUP 0.56 389 118.328 3.223 7.877 3 U 2.126E+07 0.000E+00 a 0 N.A32 HD3.A32 H.A32 #VC 0.55344 #QU 0.374 #SUP 0.56 390 119.323 2.342 8.382 1 U 2.305E+07 0.000E+00 a 0 N.A6 QG.A5 H.A6 #QU 0.678 #SUP 0.68 391 119.992 1.878 7.866 1 U 7.279E+07 0.000E+00 a 0 N.A11 HB2.A11 H.A11 #VC 0.37513 #QU 0.542 #SUP 0.96 391 119.992 1.878 7.866 1 U 7.279E+07 0.000E+00 a 0 N.A38 QB.A38 H.A38 #VC 0.62487 #QU 0.903 #SUP 0.96 392 121.056 2.122 8.345 3 U 2.919E+07 0.000E+00 a 0 N.A43 HB2.A42 H.A43 #QU 0.615 #SUP 0.61 393 121.095 4.208 7.931 1 U 2.260E+08 0.000E+00 a 0 N.A10 HA.A10 H.A10 #QU 0.998 #SUP 1.00 394 121.329 1.574 7.922 3 U 2.247E+08 0.000E+00 a 0 N.A39 HB2.A39 H.A39 #QU 0.791 #SUP 0.79 395 121.833 8.435 8.432 1 U 2.766E+09 0.000E+00 a 0 N.A8 H.A8 H.A8 #VC 0.53419 #QU 0.657 #SUP 0.85 395 121.833 8.435 8.432 1 U 2.766E+09 0.000E+00 a 0 N.A15 H.A15 H.A15 #VC 0.46581 #QU 0.573 #SUP 0.85 396 122.066 2.129 8.368 1 U 3.152E+07 0.000E+00 a 0 N.A5 HB2.A5 H.A5 #QU 0.716 #SUP 0.72 397 122.066 2.143 8.304 1 U 2.755E+07 0.000E+00 a 0 N.A42 HB2.A42 H.A42 #QU 0.886 #SUP 0.89 398 122.066 2.353 8.369 1 U 2.904E+07 0.000E+00 a 0 N.A5 QG.A5 H.A5 #QU 0.823 #SUP 0.82 399 122.066 2.360 8.305 4 U 3.280E+07 0.000E+00 a 0 - - - 401 122.946 2.125 8.854 1 U 8.572E+06 0.000E+00 a 0 N.A3 HB3.A3 H.A3 #QU 0.854 #SUP 0.85 402 122.946 1.984 8.854 1 U 2.301E+07 0.000E+00 a 0 N.A3 HB2.A3 H.A3 #QU 0.636 #SUP 0.64 380 113.663 0.852 7.946 3 U 2.301E+07 0.000E+00 a 0 N.A20 QQD.A18 H.A20 #QU 0.542 #SUP 0.54 381 113.693 1.717 7.887 3 U 2.871E+07 0.000E+00 a 0 N.A17 HB3.A18 H.A17 #QU 0.707 #SUP 0.71 382 113.693 0.858 7.882 3 U 2.994E+07 0.000E+00 a 0 N.A17 QQD.A15 H.A17 #VC 0.66637 #QU 0.682 #SUP 0.82 382 113.693 0.858 7.882 3 U 2.994E+07 0.000E+00 a 0 N.A17 QQD.A18 H.A17 #VC 0.33363 #QU 0.426 #SUP 0.82 383 119.007 1.293 7.519 3 U 2.712E+07 0.000E+00 a 0 N.A22 QG2.A22 H.A22 #QU 0.919 #SUP 0.92 384 119.282 0.837 8.378 3 U 4.254E+07 0.000E+00 a 0 N.A16 QQD.A12 H.A16 #VC 0.37587 #QU 0.307 #SUP 0.70 384 119.282 0.837 8.378 3 U 4.254E+07 0.000E+00 a 0 N.A16 QQD.A15 H.A16 #VC 0.62413 #QU 0.566 #SUP 0.70 385 121.376 1.475 8.232 3 U 3.729E+07 0.000E+00 a 0 N.A7 QB.A10 H.A7 #QU 0.463 #SUP 0.46 386 121.376 0.871 8.061 3 U 2.935E+07 0.000E+00 a 0 N.A28 QQD.A27 H.A28 #QU 0.808 #SUP 0.81 387 119.826 0.852 8.063 3 U 2.218E+07 0.000E+00 a 0 N.A9 QQD.A12 H.A9 #QU 0.864 #SUP 0.86 388 121.281 0.868 7.919 3 U 7.140E+07 0.000E+00 a 0 N.A10 QQD.A12 H.A10 #QU 0.565 #SUP 0.57 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN . . 10 ppm . . . 4.7 . . 34187 3 2 . . H 1 HN . . 10 ppm . . . 4.7 . . 34187 3 3 . . N 15 N . . 20 ppm . . . 118 . . 34187 3 stop_ save_ save_spectral_peak_list_4 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_4 _Spectral_peak_list.Entry_ID 34187 _Spectral_peak_list.ID 4 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name 'Filtered NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 # FORMAT xeasy3D # INAME 1 N # INAME 2 H # INAME 3 HN # SPECTRUM N15NOESY N H HN 11 121.212 8.950 7.852 1 U 1.113E+08 0.000E+00 a 0 N.B37 H.B36 H.B37 12 118.523 8.951 8.953 1 U 1.271E+09 0.000E+00 a 0 N.B36 H.B36 H.B36 13 112.180 8.926 6.845 1 U 2.548E+07 0.000E+00 a 0 - - - 21 112.059 8.760 6.848 1 U 5.740E+07 0.000E+00 a 0 - - - 24 112.113 8.711 6.877 1 U 4.351E+07 0.000E+00 a 0 - - - 25 111.701 8.717 6.874 1 U 3.938E+07 0.000E+00 a 0 - - - 28 120.837 8.606 7.957 1 U 9.095E+07 0.000E+00 a 0 N.B43 H.B42 H.B43 29 120.979 8.606 7.605 1 U 1.333E+08 0.000E+00 a 0 N.B40 H.B41 H.B40 30 120.125 8.606 8.601 1 U 8.330E+08 0.000E+00 a 0 N.B41 H.B41 H.B41 34 123.415 8.552 8.548 1 U 8.159E+08 0.000E+00 a 0 N.B11 H.B11 H.B11 35 118.959 8.548 8.150 1 U 1.137E+08 0.000E+00 a 0 N.B10 H.B11 H.B10 36 112.346 8.501 6.997 1 U 2.801E+07 0.000E+00 a 0 - - - 39 111.944 8.491 6.997 1 U 3.420E+07 0.000E+00 a 0 - - - 44 119.342 8.439 8.174 1 U 9.182E+07 0.000E+00 a 0 N.B31 H.B32 H.B31 46 118.687 8.417 8.415 1 U 3.889E+09 0.000E+00 a 0 N.B3 H.B3 H.B3 49 115.773 8.450 8.449 1 U 1.212E+09 0.000E+00 a 0 N.B32 H.B32 H.B32 50 111.678 8.451 7.538 1 U 4.586E+07 0.000E+00 a 0 - - - 51 111.503 8.451 7.571 1 U 1.056E+08 0.000E+00 a 0 N.B33 H.B32 H.B33 55 123.481 8.394 8.548 1 U 8.042E+07 0.000E+00 a 0 N.B11 H.B12 H.B11 56 121.601 8.375 8.374 1 U 1.095E+09 0.000E+00 a 0 N.B15 H.B15 H.B15 57 119.109 8.386 8.386 1 U 1.747E+09 0.000E+00 a 0 N.B12 H.B12 H.B12 58 118.093 8.366 7.293 1 U 4.849E+07 0.000E+00 a 0 N.B34 HD22.B34 H.B34 59 117.447 8.372 7.436 1 U 6.831E+07 0.000E+00 a 0 N.B17 H.B15 H.B17 60 116.929 8.382 8.382 1 U 2.342E+09 0.000E+00 a 0 N.B19 H.B19 H.B19 61 116.909 8.369 8.146 1 U 1.086E+08 0.000E+00 a 0 - H.B15 H.B14 62 116.081 8.379 7.959 1 U 1.219E+08 0.000E+00 a 0 N.B13 H.B15 H.B13 65 117.222 8.344 7.198 1 U 2.137E+08 0.000E+00 a 0 ND2.B34 HD22.B34 HD21.B34 66 116.884 8.344 8.344 1 U 7.904E+08 0.000E+00 a 0 ND2.B34 HD22.B34 HD22.B34 67 122.746 8.292 8.292 1 U 1.953E+09 0.000E+00 a 0 N.B7 H.B7 H.B7 69 111.010 8.273 6.739 1 U 2.011E+07 0.000E+00 a 0 NE2.B22 H.B23 HE22.B22 71 124.076 8.220 8.060 1 U 2.058E+08 0.000E+00 a 0 N.B24 H.B23 H.B24 73 121.323 8.238 7.853 1 U 1.475E+08 0.000E+00 a 0 - H.B38 H.B37 75 119.437 8.218 7.770 1 U 3.808E+07 0.000E+00 a 0 - - H.B20 76 119.182 8.253 8.255 1 U 1.969E+09 0.000E+00 a 0 N.B23 H.B23 H.B23 77 111.358 8.243 6.740 1 U 2.217E+07 0.000E+00 a 0 - - - 78 111.327 8.258 7.283 1 U 3.430E+07 0.000E+00 a 0 - - - 83 121.489 8.203 8.203 1 U 4.393E+09 0.000E+00 a 0 N.B49 H.B49 H.B49 88 118.896 8.188 7.291 1 U 2.863E+07 0.000E+00 a 0 - - - 90 116.803 8.192 8.190 1 U 1.871E+09 0.000E+00 a 0 N.B22 H.B22 H.B22 92 115.769 8.179 8.449 1 U 8.360E+07 0.000E+00 a 0 N.B32 H.B31 H.B32 93 111.419 8.183 7.568 1 U 3.003E+07 0.000E+00 a 0 N.B33 H.B31 H.B33 94 123.568 8.152 8.548 1 U 8.997E+07 0.000E+00 a 0 N.B11 H.B10 H.B11 95 121.766 8.150 8.373 1 U 5.604E+07 0.000E+00 a 0 N.B15 H.B14 H.B15 97 119.157 8.158 8.155 1 U 2.473E+09 0.000E+00 a 0 N.B10 H.B10 H.B10 101 117.781 8.138 8.130 1 U 2.203E+09 0.000E+00 a 0 N.B29 H.B29 H.B29 103 117.636 8.157 7.861 1 U 3.335E+08 0.000E+00 a 0 - - - 105 116.247 8.136 7.959 1 U 1.739E+08 0.000E+00 a 0 N.B13 H.B14 H.B13 106 112.241 8.165 7.494 1 U 2.356E+07 0.000E+00 a 0 - - - 112 126.433 8.080 8.075 1 U 7.198E+09 0.000E+00 a 0 N.B50 H.B50 H.B50 125 111.883 8.096 7.534 1 U 6.722E+07 0.000E+00 a 0 - - - 126 111.430 8.091 7.382 1 U 1.301E+08 0.000E+00 a 0 - - - 128 111.537 8.097 6.805 1 U 3.904E+07 0.000E+00 a 0 - - - 129 111.434 8.101 6.730 1 U 2.942E+07 0.000E+00 a 0 - - - 133 124.071 8.061 8.060 1 U 9.352E+08 0.000E+00 a 0 N.B24 H.B24 H.B24 135 120.793 8.031 7.604 1 U 1.493E+08 0.000E+00 a 0 - H.B39 H.B40 136 119.196 8.056 8.256 1 U 1.352E+08 0.000E+00 a 0 - H.B39 H.B38 141 118.472 8.045 8.039 1 U 3.728E+09 0.000E+00 a 0 N.B48 H.B48 H.B48 142 118.334 8.044 8.911 1 U 3.279E+07 0.000E+00 a 0 - - - 145 116.990 8.058 7.388 1 U 1.810E+07 0.000E+00 a 0 - - - 147 111.412 8.076 7.282 1 U 2.338E+07 0.000E+00 a 0 - - - 148 111.525 8.044 6.843 1 U 2.697E+07 0.000E+00 a 0 - - - 149 120.785 8.019 8.017 1 U 1.092E+09 0.000E+00 a 0 N.B30 H.B30 H.B30 150 120.251 7.992 7.988 1 U 2.128E+09 0.000E+00 a 0 N.B26 H.B26 H.B26 154 119.701 8.029 7.574 1 U 2.560E+08 0.000E+00 a 0 N.B47 H.B46 H.B47 155 119.440 8.006 8.170 1 U 1.997E+08 0.000E+00 a 0 - - - 158 113.598 8.015 8.012 1 U 1.581E+09 0.000E+00 a 0 N.B46 H.B46 H.B46 162 111.512 7.999 7.432 1 U 3.196E+07 0.000E+00 a 0 - - - 163 111.439 8.018 6.737 1 U 2.942E+07 0.000E+00 a 0 - - - 164 132.075 7.968 7.970 1 U 2.806E+07 0.000E+00 a 0 - - - 165 123.438 7.944 8.548 1 U 2.182E+07 0.000E+00 a 0 N.B11 H.B9 H.B11 166 120.837 7.965 7.960 1 U 1.886E+09 0.000E+00 a 0 N.B43 H.B43 H.B43 170 118.973 7.958 8.382 1 U 8.461E+07 0.000E+00 a 0 N.B12 H.B13 H.B12 171 118.565 7.955 8.602 1 U 7.004E+07 0.000E+00 a 0 N.B42 H.B43 H.B42 172 117.024 7.969 8.143 1 U 1.023E+08 0.000E+00 a 0 N.B14 H.B13 H.B14 173 116.039 7.962 7.959 1 U 1.632E+09 0.000E+00 a 0 N.B13 H.B13 H.B13 174 130.210 7.925 7.925 1 U 7.937E+07 0.000E+00 a 0 - - - 176 119.087 7.918 8.153 1 U 1.855E+08 0.000E+00 a 0 N.B10 H.B9 H.B10 177 119.156 7.909 7.904 1 U 1.376E+09 0.000E+00 a 0 N.B44 H.B44 H.B44 179 117.761 7.917 7.918 1 U 1.735E+09 0.000E+00 a 0 N.B9 H.B9 H.B9 180 111.716 7.899 6.845 1 U 2.343E+07 0.000E+00 a 0 - - - 181 111.661 7.923 6.802 1 U 3.427E+07 0.000E+00 a 0 - - - 184 122.852 7.844 8.292 1 U 1.116E+08 0.000E+00 a 0 N.B7 H.B8 H.B7 185 121.203 7.857 7.853 1 U 1.012E+09 0.000E+00 a 0 N.B37 H.B37 H.B37 186 119.056 7.856 8.253 1 U 1.899E+08 0.000E+00 a 0 - H.B37 H.B38 187 119.009 7.875 8.035 1 U 2.632E+07 0.000E+00 a 0 N.B39 H.B37 H.B39 188 118.507 7.857 8.953 1 U 1.326E+08 0.000E+00 a 0 N.B36 H.B37 H.B36 189 118.439 7.883 8.131 1 U 9.863E+07 0.000E+00 a 0 - - - 190 117.759 7.870 8.128 1 U 9.101E+07 0.000E+00 a 0 - H.B28 H.B29 191 117.430 7.862 7.860 1 U 3.261E+09 0.000E+00 a 0 N.B28 H.B28 H.B28 194 112.518 7.851 6.997 1 U 2.590E+07 0.000E+00 a 0 - - - 195 112.292 7.844 7.678 1 U 3.017E+07 0.000E+00 a 0 - - - 196 112.017 7.844 7.678 1 U 3.091E+07 0.000E+00 a 0 - - - 197 112.004 7.848 6.996 1 U 2.499E+07 0.000E+00 a 0 - - - 198 128.720 7.799 7.793 1 U 2.368E+07 0.000E+00 a 0 - - - 199 128.604 7.797 7.803 1 U 2.202E+07 0.000E+00 a 0 - - - 201 124.099 7.792 8.059 1 U 3.494E+07 0.000E+00 a 0 N.B24 H.B20 H.B24 203 119.359 7.772 7.771 1 U 1.084E+09 0.000E+00 a 0 N.B20 H.B20 H.B20 204 116.817 7.756 8.381 1 U 1.193E+07 0.000E+00 a 0 N.B19 H.B20 H.B19 206 111.984 7.703 7.536 1 U 8.866E+07 0.000E+00 a 0 - - - 210 112.166 7.677 7.677 1 U 3.145E+09 0.000E+00 a 0 - - - 211 112.214 7.678 6.996 1 U 1.227E+09 0.000E+00 a 0 - - - 213 120.878 7.605 7.604 1 U 1.929E+09 0.000E+00 a 0 N.B40 H.B40 H.B40 216 120.460 7.607 8.601 1 U 9.304E+07 0.000E+00 a 0 N.B41 H.B40 H.B41 219 119.681 7.579 7.575 1 U 2.351E+09 0.000E+00 a 0 N.B47 H.B47 H.B47 220 118.509 7.585 8.037 1 U 1.695E+08 0.000E+00 a 0 N.B48 H.B47 H.B48 221 118.412 7.572 7.289 1 U 1.703E+08 0.000E+00 a 0 N.B34 H.B33 H.B34 222 115.762 7.574 8.449 1 U 8.823E+07 0.000E+00 a 0 N.B32 H.B33 H.B32 223 113.668 7.573 8.013 1 U 1.105E+08 0.000E+00 a 0 N.B46 H.B47 H.B46 224 111.532 7.582 7.570 1 U 1.238E+09 0.000E+00 a 0 N.B33 H.B33 H.B33 232 112.218 7.520 7.515 1 U 8.802E+09 0.000E+00 a 0 - - - 235 111.999 7.538 7.534 1 U 8.261E+09 0.000E+00 a 0 - - - 238 112.010 7.535 6.874 1 U 2.185E+09 0.000E+00 a 0 - - - 243 121.089 7.486 8.022 1 U 1.603E+07 0.000E+00 a 0 - - - 245 112.320 7.498 7.496 1 U 7.969E+09 0.000E+00 a 0 - - - 250 112.200 7.501 6.805 1 U 2.765E+09 0.000E+00 a 0 - - - 261 121.674 7.439 8.373 1 U 8.596E+07 0.000E+00 a 0 N.B15 H.B16 H.B15 262 121.511 7.456 8.206 1 U 1.712E+07 0.000E+00 a 0 - - - 263 119.548 7.462 8.035 1 U 2.917E+07 0.000E+00 a 0 - - - 265 117.382 7.438 7.435 1 U 1.377E+09 0.000E+00 a 0 N.B16 H.B16 H.B16 268 111.609 7.440 7.433 1 U 4.436E+09 0.000E+00 a 0 - - - 269 111.800 7.426 6.844 1 U 3.015E+09 0.000E+00 a 0 - - - 271 126.419 7.403 8.074 1 U 7.604E+07 0.000E+00 a 0 - - - 273 119.699 7.413 7.572 1 U 2.793E+07 0.000E+00 a 0 - - - 277 117.310 7.394 7.386 1 U 1.911E+09 0.000E+00 a 0 N.B17 H.B17 H.B17 286 111.379 7.387 7.385 1 U 1.101E+10 0.000E+00 a 0 - - - 287 111.371 7.399 7.173 1 U 1.461E+08 0.000E+00 a 0 - - - 288 111.443 7.394 6.804 1 U 3.086E+09 0.000E+00 a 0 - - - 294 110.456 7.394 7.069 1 U 2.538E+07 0.000E+00 a 0 - - - 295 108.821 7.418 7.418 1 U 6.377E+08 0.000E+00 a 0 - - - 296 108.950 7.416 6.409 1 U 4.344E+08 0.000E+00 a 0 - - - 297 110.958 7.333 6.728 1 U 1.867E+09 0.000E+00 a 0 - - - 298 122.864 7.301 8.292 1 U 1.689E+07 0.000E+00 a 0 - - - 299 118.413 7.295 7.289 1 U 1.508E+09 0.000E+00 a 0 N.B34 H.B34 H.B34 301 111.603 7.284 7.572 1 U 8.634E+07 0.000E+00 a 0 N.B33 H.B34 H.B33 303 111.083 7.286 7.283 1 U 3.025E+09 0.000E+00 a 0 NE2.B22 HE21.B22 HE21.B22 304 112.397 7.253 7.510 1 U 2.060E+07 0.000E+00 a 0 - - - 305 111.959 7.243 7.502 1 U 1.780E+07 0.000E+00 a 0 - - - 307 117.751 7.230 8.038 1 U 1.940E+07 0.000E+00 a 0 - - - 308 117.222 7.202 8.343 1 U 2.295E+08 0.000E+00 a 0 ND2.B34 HD21.B34 HD22.B34 309 116.896 7.206 7.204 1 U 6.963E+08 0.000E+00 a 0 ND2.B34 HD21.B34 HD21.B34 310 111.958 7.193 6.848 1 U 3.049E+07 0.000E+00 a 0 - - - 311 111.497 7.188 6.800 1 U 2.601E+07 0.000E+00 a 0 - - - 312 111.288 7.196 7.389 1 U -3.263E+07 0.000E+00 a 0 - - - 314 109.726 7.201 6.889 1 U 5.969E+08 0.000E+00 a 0 - - - 316 109.614 7.202 7.199 1 U 1.389E+09 0.000E+00 a 0 - - - 317 119.373 7.109 8.386 1 U 1.746E+07 0.000E+00 a 0 - - - 320 118.726 7.069 8.416 1 U 4.859E+07 0.000E+00 a 0 - - - 321 117.412 7.053 7.387 1 U 3.551E+07 0.000E+00 a 0 N.B17 HE21.B13 H.B17 323 110.408 7.057 6.565 1 U 3.529E+08 0.000E+00 a 0 - - - 324 110.230 7.056 7.052 1 U 5.318E+08 0.000E+00 a 0 - - - 327 112.226 6.996 7.676 1 U 1.223E+09 0.000E+00 a 0 - - - 328 112.148 6.996 6.996 1 U 3.001E+09 0.000E+00 a 0 - - - 330 118.728 6.941 8.419 1 U 2.347E+07 0.000E+00 a 0 - - - 336 112.054 6.880 7.533 1 U 3.089E+09 0.000E+00 a 0 - - - 338 111.983 6.879 6.875 1 U 5.933E+09 0.000E+00 a 0 - - - 339 109.746 6.890 7.198 1 U 6.176E+08 0.000E+00 a 0 - - - 340 109.624 6.891 6.890 1 U 1.424E+09 0.000E+00 a 0 - - - 349 112.398 6.826 7.495 1 U 2.731E+09 0.000E+00 a 0 - - - 366 112.008 6.850 6.847 1 U 1.123E+10 0.000E+00 a 0 - - - 370 111.673 6.842 7.433 1 U 1.794E+09 0.000E+00 a 0 - - - 371 111.598 6.825 7.386 1 U 3.672E+09 0.000E+00 a 0 - - - 380 111.829 6.809 6.805 1 U 1.294E+10 0.000E+00 a 0 - - - 383 111.129 6.740 7.283 1 U 1.671E+09 0.000E+00 a 0 NE2.B22 HE22.B22 HE21.B22 384 110.942 6.736 6.733 1 U 5.249E+09 0.000E+00 a 0 NE2.B22 HE22.B22 HE22.B22 386 117.173 6.563 7.389 1 U 2.061E+07 0.000E+00 a 0 N.B17 HE22.B13 H.B17 387 110.368 6.565 7.053 1 U 3.321E+08 0.000E+00 a 0 - - - 388 110.192 6.564 6.565 1 U 8.404E+08 0.000E+00 a 0 - - - 389 108.969 6.412 7.418 1 U 4.343E+08 0.000E+00 a 0 - - - 390 108.971 6.420 7.354 1 U 4.933E+07 0.000E+00 a 0 - - - 391 108.836 6.412 6.410 1 U 7.604E+08 0.000E+00 a 0 - - - 392 118.435 5.340 7.289 1 U 5.935E+07 0.000E+00 a 0 N.B34 HA.B34 H.B34 394 119.358 4.871 7.773 1 U 3.928E+07 0.000E+00 a 0 N.B20 HA.B20 H.B20 396 112.312 4.824 7.515 1 U 2.374E+07 0.000E+00 a 0 - - - 397 112.004 4.825 7.515 1 U 2.300E+07 0.000E+00 a 0 - - - 398 117.323 4.721 7.388 1 U 7.267E+07 0.000E+00 a 0 N.B17 HA.B17 H.B17 399 121.496 4.678 8.203 1 U 1.476E+08 0.000E+00 a 0 N.B49 HA.B48 H.B49 400 118.138 4.679 8.041 1 U 8.820E+07 0.000E+00 a 0 N.B48 HA.B48 H.B48 401 119.398 4.625 8.361 1 U 1.902E+07 0.000E+00 a 0 - - - 402 118.641 4.629 8.416 1 U 3.545E+08 0.000E+00 a 0 N.B3 HA.B3 H.B3 403 115.937 4.631 8.722 1 U 2.418E+07 0.000E+00 a 0 N.B2 HA.B2 H.B2 404 118.378 4.485 7.289 1 U 4.003E+07 0.000E+00 a 0 N.B34 HA.B33 H.B34 405 111.468 4.481 7.571 1 U 7.705E+07 0.000E+00 a 0 N.B33 HA.B33 H.B33 406 121.774 4.453 8.628 1 U 2.609E+07 0.000E+00 a 0 - - - 407 122.665 4.387 8.288 1 U 2.104E+07 0.000E+00 a 0 N.B7 HA.B5 H.B7 408 118.503 4.386 8.955 1 U 2.296E+07 0.000E+00 a 0 N.B36 HA.B35 H.B36 409 120.110 4.368 8.391 1 U 8.159E+07 0.000E+00 a 0 N.B6 HA.B5 H.B6 410 119.198 4.333 8.255 1 U 4.763E+07 0.000E+00 a 0 N.B23 HA.B21 H.B23 411 117.978 4.346 7.850 1 U 2.589E+07 0.000E+00 a 0 N.B8 HA.B5 H.B8 412 117.591 4.336 7.852 1 U 2.527E+07 0.000E+00 a 0 - - - 414 116.882 4.332 8.382 1 U 4.569E+08 0.000E+00 a 0 N.B19 HA.B18 H.B19 415 126.434 4.312 8.075 1 U 2.453E+08 0.000E+00 a 0 N.B50 HA.B49 H.B50 416 121.511 4.310 8.205 1 U 1.239E+08 0.000E+00 a 0 N.B49 HA.B49 H.B49 417 112.820 4.306 7.492 1 U 1.763E+07 0.000E+00 a 0 - - - 418 119.615 4.250 7.575 1 U 1.891E+08 0.000E+00 a 0 N.B47 HA.B47 H.B47 419 119.371 4.254 7.771 1 U 2.636E+08 0.000E+00 a 0 N.B20 HA.B19 H.B20 420 118.381 4.243 8.039 1 U 1.692E+08 0.000E+00 a 0 N.B48 HA.B47 H.B48 421 117.392 4.264 7.435 1 U 8.722E+07 0.000E+00 a 0 N.B16 HA.B16 H.B16 422 117.347 4.262 7.387 1 U 6.862E+07 0.000E+00 a 0 N.B17 HA.B16 H.B17 423 113.615 4.264 8.012 1 U 1.147E+08 0.000E+00 a 0 N.B46 HA.B46 H.B46 424 110.663 4.266 7.051 1 U 1.865E+07 0.000E+00 a 0 - - - 425 110.650 4.262 6.567 1 U 1.884E+07 0.000E+00 a 0 - - - 426 121.279 4.216 7.854 1 U 7.405E+07 0.000E+00 a 0 N.B37 HA.B37 H.B37 427 119.089 4.227 8.244 1 U 4.186E+07 0.000E+00 a 0 N.B38 HA.B37 H.B38 429 118.545 4.229 8.952 1 U 8.107E+07 0.000E+00 a 0 N.B36 HA.B36 H.B36 430 122.774 4.148 8.292 1 U 1.916E+08 0.000E+00 a 0 N.B7 HA.B7 H.B7 431 121.547 4.176 8.370 1 U 5.735E+07 0.000E+00 a 0 N.B15 HB.B14 H.B15 432 118.703 4.149 8.415 1 U 1.212E+08 0.000E+00 a 0 N.B3 HB.B3 H.B3 433 117.938 4.149 7.844 1 U 6.110E+07 0.000E+00 a 0 N.B8 HA.B7 H.B8 434 116.830 4.174 8.147 1 U 1.164E+08 0.000E+00 a 0 N.B14 HB.B14 H.B14 435 126.418 4.128 8.076 1 U 7.300E+07 0.000E+00 a 0 N.B50 HA.B50 H.B50 436 120.975 4.127 7.605 1 U 1.493E+08 0.000E+00 a 0 N.B40 HA.B40 H.B40 437 120.649 4.096 7.959 1 U 7.380E+07 0.000E+00 a 0 N.B43 HA.B40 H.B43 438 120.496 4.094 7.936 1 U 2.622E+07 0.000E+00 a 0 - - - 439 120.182 4.098 8.601 1 U 4.582E+07 0.000E+00 a 0 N.B41 HA.B38 H.B41 440 120.014 4.129 8.391 1 U 6.420E+07 0.000E+00 a 0 N.B6 HA.B6 H.B6 441 120.198 4.095 7.935 1 U 2.800E+07 0.000E+00 a 0 - - - 442 119.634 4.095 8.601 1 U 4.445E+07 0.000E+00 a 0 - - - 444 117.743 4.102 7.919 1 U 6.042E+07 0.000E+00 a 0 N.B9 HA.B6 H.B9 445 117.375 4.096 7.899 1 U 3.013E+07 0.000E+00 a 0 N.B25 HA.B22 H.B25 446 120.499 4.077 7.885 1 U 2.250E+07 0.000E+00 a 0 - - - 447 120.179 4.055 7.987 1 U 1.685E+08 0.000E+00 a 0 N.B26 HA.B26 H.B26 448 118.849 4.089 8.600 1 U 4.431E+07 0.000E+00 a 0 N.B42 HA.B39 H.B42 449 119.018 4.057 8.243 1 U 7.503E+07 0.000E+00 a 0 N.B38 HA.B38 H.B38 450 119.058 4.078 8.037 1 U 1.351E+08 0.000E+00 a 0 N.B39 HA.B39 H.B39 452 116.824 4.072 8.190 1 U 1.331E+08 0.000E+00 a 0 N.B22 HA.B22 H.B22 453 124.067 4.001 8.060 1 U 9.065E+07 0.000E+00 a 0 N.B24 HA.B24 H.B24 454 118.928 4.034 8.151 1 U 1.499E+08 0.000E+00 a 0 N.B10 HA.B10 H.B10 455 117.304 4.045 7.386 1 U 1.627E+08 0.000E+00 a 0 N.B17 HB2.B17 H.B17 456 110.272 4.027 7.052 1 U 5.080E+07 0.000E+00 a 0 - - - 457 110.392 4.020 6.566 1 U 4.193E+07 0.000E+00 a 0 - - - 458 123.421 3.980 8.548 1 U 9.330E+07 0.000E+00 a 0 N.B11 HA.B11 H.B11 459 121.729 3.998 8.372 1 U 8.294E+07 0.000E+00 a 0 N.B15 HA.B15 H.B15 460 120.837 3.958 7.957 1 U 1.261E+08 0.000E+00 a 0 N.B43 HA.B43 H.B43 461 120.589 3.989 7.847 1 U 2.545E+07 0.000E+00 a 0 - - - 462 118.903 3.958 8.383 1 U 9.315E+07 0.000E+00 a 0 N.B12 HA.B11 H.B12 463 117.748 3.985 8.348 1 U 2.325E+07 0.000E+00 a 0 - - - 464 117.756 3.975 7.918 1 U 1.272E+08 0.000E+00 a 0 N.B9 HA.B9 H.B9 465 117.070 3.960 7.862 1 U 1.942E+08 0.000E+00 a 0 N.B25 HA.B25 H.B25 466 117.363 3.981 7.435 1 U 6.065E+07 0.000E+00 a 0 N.B16 HA.B14 H.B16 467 117.104 3.973 8.347 1 U 2.567E+07 0.000E+00 a 0 ND2.B34 - HD22.B34 468 117.049 3.959 8.143 1 U 1.599E+08 0.000E+00 a 0 N.B14 HA.B14 H.B14 469 117.036 3.994 7.198 1 U 2.701E+07 0.000E+00 a 0 ND2.B34 - HD21.B34 470 111.619 3.964 7.390 1 U 2.301E+07 0.000E+00 a 0 - - - 471 111.496 3.975 7.571 1 U 1.569E+08 0.000E+00 a 0 N.B33 - H.B33 472 111.228 3.963 7.389 1 U 2.439E+07 0.000E+00 a 0 - - - 473 121.190 3.932 8.017 1 U 3.360E+07 0.000E+00 a 0 - - - 474 120.830 3.928 8.019 1 U 3.448E+07 0.000E+00 a 0 N.B30 HA.B29 H.B30 475 120.352 3.917 7.856 1 U 2.566E+07 0.000E+00 a 0 - - - 476 119.639 3.922 7.575 1 U 8.238E+07 0.000E+00 a 0 N.B47 HB2.B46 H.B47 477 119.348 3.924 7.903 1 U 1.236E+08 0.000E+00 a 0 N.B44 HA.B44 H.B44 478 118.614 3.916 8.949 1 U 2.316E+07 0.000E+00 a 0 - - - 480 117.613 3.939 8.131 1 U 1.664E+08 0.000E+00 a 0 N.B29 HA.B29 H.B29 481 116.065 3.926 7.960 1 U 1.449E+08 0.000E+00 a 0 N.B13 HA.B13 H.B13 482 115.969 3.909 8.716 1 U 1.028E+08 0.000E+00 a 0 N.B2 - H.B2 483 113.612 3.925 8.012 1 U 1.911E+08 0.000E+00 a 0 N.B46 HB2.B46 H.B46 484 120.323 3.866 8.601 1 U 4.599E+07 0.000E+00 a 0 N.B41 HA.B41 H.B41 485 119.228 3.894 8.240 1 U 2.618E+07 0.000E+00 a 0 - - - 486 119.244 3.881 8.176 1 U 7.278E+07 0.000E+00 a 0 N.B31 HA.B31 H.B31 487 118.661 3.878 8.415 1 U 1.165E+08 0.000E+00 a 0 N.B3 - H.B3 488 118.474 3.892 8.038 1 U 3.050E+07 0.000E+00 a 0 N.B48 HB3.B46 H.B48 489 118.443 3.892 7.288 1 U 6.579E+07 0.000E+00 a 0 N.B34 HA.B31 H.B34 490 116.831 3.905 8.190 1 U 6.201E+07 0.000E+00 a 0 N.B22 QD.B21 H.B22 491 116.456 3.898 8.069 1 U 8.733E+07 0.000E+00 a 0 N.B45 HA.B45 H.B45 492 115.802 3.895 8.449 1 U 1.372E+08 0.000E+00 a 0 N.B32 HA.B32 H.B32 493 119.438 3.856 7.772 1 U 6.190E+07 0.000E+00 a 0 N.B20 HB3.B19 H.B20 494 116.878 3.848 8.382 1 U 2.977E+08 0.000E+00 a 0 N.B19 HB3.B19 H.B19 495 117.566 3.724 8.127 1 U 2.467E+07 0.000E+00 a 0 N.B29 HA.B28 H.B29 496 119.422 3.675 8.171 1 U 7.092E+07 0.000E+00 a 0 N.B27 HA.B23 H.B27 498 117.571 3.700 7.862 1 U 9.679E+07 0.000E+00 a 0 N.B28 HA.B28 H.B28 500 120.420 3.631 7.992 1 U 2.329E+07 0.000E+00 a 0 N.B26 HA.B23 H.B26 501 119.150 3.657 8.258 1 U 8.401E+07 0.000E+00 a 0 N.B23 HA.B23 H.B23 502 118.275 3.634 7.294 1 U 2.514E+07 0.000E+00 a 0 N.B34 HA.B30 H.B34 503 115.795 3.662 8.443 1 U 2.340E+07 0.000E+00 a 0 N.B32 HA.B28 H.B32 504 120.993 3.605 8.019 1 U 5.505E+07 0.000E+00 a 0 N.B30 HA.B30 H.B30 506 120.381 3.615 7.975 1 U 1.951E+07 0.000E+00 a 0 - - - 507 117.135 3.614 8.343 1 U 1.808E+07 0.000E+00 a 0 ND2.B34 HA.B30 HD22.B34 508 111.622 3.602 7.569 1 U 2.552E+07 0.000E+00 a 0 N.B33 HA.B30 H.B33 509 121.051 3.462 7.958 1 U 2.688E+07 0.000E+00 a 0 N.B43 HA.B42 H.B43 510 118.530 3.454 8.601 1 U 5.966E+07 0.000E+00 a 0 N.B42 HA.B42 H.B42 511 121.607 3.347 8.207 1 U 2.452E+07 0.000E+00 a 0 N.B49 HB3.B48 H.B49 512 120.125 3.363 8.601 1 U 5.683E+07 0.000E+00 a 0 N.B41 - H.B41 513 119.941 3.362 8.599 1 U 5.816E+07 0.000E+00 a 0 - - - 514 118.364 3.349 8.041 1 U 5.161E+07 0.000E+00 a 0 N.B48 HB3.B48 H.B48 515 117.933 3.346 8.040 1 U 5.678E+07 0.000E+00 a 0 N.B48 HB3.B48 H.B48 516 120.986 3.279 8.020 1 U 2.579E+07 0.000E+00 a 0 N.B30 HA.B27 H.B30 517 120.666 3.282 8.018 1 U 2.478E+07 0.000E+00 a 0 - - - 518 119.477 3.273 8.168 1 U 7.958E+07 0.000E+00 a 0 N.B27 HA.B27 H.B27 519 118.016 3.276 7.861 1 U 2.787E+07 0.000E+00 a 0 - - - 520 117.624 3.277 7.862 1 U 2.680E+07 0.000E+00 a 0 N.B28 HA.B27 H.B28 521 121.609 3.072 8.203 1 U 2.572E+07 0.000E+00 a 0 N.B49 HB2.B48 H.B49 522 118.029 3.071 8.040 1 U 9.608E+07 0.000E+00 a 0 N.B48 HB2.B48 H.B48 523 120.395 2.935 8.600 1 U 7.011E+07 0.000E+00 a 0 N.B41 HB2.B41 H.B41 524 118.109 2.917 8.601 1 U 2.371E+07 0.000E+00 a 0 - HB2.B41 H.B42 525 118.527 2.754 7.287 1 U 6.483E+07 0.000E+00 a 0 N.B34 HB2.B34 H.B34 526 116.960 2.752 8.344 1 U 3.171E+07 0.000E+00 a 0 ND2.B34 HB2.B34 HD22.B34 527 119.538 2.579 8.037 1 U 2.101E+07 0.000E+00 a 0 - - - 528 119.018 2.558 8.037 1 U 2.403E+07 0.000E+00 a 0 - - - 529 121.467 2.525 7.852 1 U 3.605E+07 0.000E+00 a 0 N.B37 HB3.B34 H.B37 530 118.645 2.543 7.284 1 U 3.699E+07 0.000E+00 a 0 N.B34 HB3.B34 H.B34 531 118.547 2.505 8.954 1 U 6.343E+07 0.000E+00 a 0 N.B36 HB3.B34 H.B36 532 118.294 2.538 7.298 1 U 3.940E+07 0.000E+00 a 0 N.B34 HB3.B34 H.B34 534 112.196 2.522 7.677 1 U 4.767E+07 0.000E+00 a 0 - - - 535 112.265 2.537 6.995 1 U 1.976E+07 0.000E+00 a 0 - - - 536 124.108 2.465 8.061 1 U 1.095E+08 0.000E+00 a 0 N.B24 QG.B24 H.B24 537 119.299 2.473 7.771 1 U 9.621E+07 0.000E+00 a 0 - - - 538 109.743 2.458 7.199 1 U 3.388E+07 0.000E+00 a 0 - - - 539 122.706 2.430 8.291 1 U 2.471E+07 0.000E+00 a 0 N.B7 QG.B6 H.B7 540 120.251 2.438 7.985 1 U 1.546E+08 0.000E+00 a 0 N.B26 QG.B26 H.B26 541 119.182 2.438 8.257 1 U 1.658E+08 0.000E+00 a 0 N.B23 - H.B23 542 118.974 2.425 8.150 1 U 1.418E+08 0.000E+00 a 0 N.B10 QG.B10 H.B10 543 117.836 2.414 8.129 1 U 1.395E+08 0.000E+00 a 0 N.B29 QG.B29 H.B29 544 117.070 2.452 7.859 1 U 1.894E+08 0.000E+00 a 0 N.B25 QG.B25 H.B25 545 116.808 2.424 8.190 1 U 1.033E+08 0.000E+00 a 0 N.B22 - H.B22 546 116.050 2.429 7.959 1 U 1.107E+08 0.000E+00 a 0 N.B13 QG.B13 H.B13 547 115.691 2.446 8.448 1 U 2.209E+07 0.000E+00 a 0 - - - 548 112.128 2.411 7.497 1 U 9.658E+07 0.000E+00 a 0 - - - 549 112.113 2.419 6.872 1 U 4.344E+07 0.000E+00 a 0 - - - 550 111.965 2.422 7.533 1 U 1.323E+08 0.000E+00 a 0 - - - 551 111.690 2.420 7.433 1 U 3.216E+07 0.000E+00 a 0 - - - 552 111.631 2.419 6.801 1 U 6.409E+07 0.000E+00 a 0 - - - 553 111.042 2.422 6.733 1 U 5.221E+07 0.000E+00 a 0 NE2.B22 HG2.B22 HE22.B22 554 110.276 2.423 7.051 1 U 3.064E+07 0.000E+00 a 0 - - - 555 110.079 2.431 6.567 1 U 1.811E+07 0.000E+00 a 0 - - - 556 109.830 2.446 6.888 1 U 2.050E+07 0.000E+00 a 0 - - - 557 121.079 2.383 7.854 1 U 3.825E+07 0.000E+00 a 0 - - - 558 120.013 2.398 8.390 1 U 6.887E+07 0.000E+00 a 0 N.B6 QG.B6 H.B6 559 120.096 2.376 7.602 1 U 2.879E+07 0.000E+00 a 0 - - - 560 119.558 2.368 7.574 1 U 1.089E+08 0.000E+00 a 0 N.B47 QG.B47 H.B47 561 118.882 2.384 8.414 1 U 6.167E+07 0.000E+00 a 0 - - - 562 118.936 2.385 8.038 1 U 7.446E+07 0.000E+00 a 0 - - - 563 118.550 2.402 8.952 1 U 6.385E+07 0.000E+00 a 0 N.B36 - H.B36 564 117.711 2.395 7.918 1 U 1.617E+08 0.000E+00 a 0 N.B9 QG.B6 H.B9 565 112.152 2.392 7.675 1 U 3.344E+07 0.000E+00 a 0 - - - 566 112.122 2.363 6.848 1 U 5.904E+07 0.000E+00 a 0 - - - 567 111.442 2.391 7.388 1 U 1.300E+08 0.000E+00 a 0 - - - 568 111.078 2.395 7.283 1 U 4.838E+07 0.000E+00 a 0 NE2.B22 HG2.B22 HE21.B22 569 108.981 2.392 7.417 1 U 3.174E+07 0.000E+00 a 0 - - - 570 121.466 2.335 8.203 1 U 1.226E+08 0.000E+00 a 0 N.B49 QG.B49 H.B49 571 116.909 2.341 8.382 1 U 8.321E+07 0.000E+00 a 0 - - - 572 112.608 2.359 7.492 1 U 1.070E+08 0.000E+00 a 0 - - - 573 126.365 2.310 8.074 1 U 3.697E+07 0.000E+00 a 0 N.B50 QG.B49 H.B50 575 108.916 2.261 7.418 1 U 2.904E+07 0.000E+00 a 0 - - - 576 123.433 2.199 8.548 1 U 1.023E+08 0.000E+00 a 0 N.B11 QB.B10 H.B11 577 119.182 2.179 8.260 1 U 2.172E+08 0.000E+00 a 0 N.B23 HB2.B23 H.B23 578 119.159 2.183 8.153 1 U 3.461E+08 0.000E+00 a 0 N.B10 QB.B10 H.B10 579 119.275 2.206 8.035 1 U 6.752E+07 0.000E+00 a 0 - - - 580 109.956 2.181 6.886 1 U 1.985E+07 0.000E+00 a 0 - - - 581 109.601 2.187 7.199 1 U 4.595E+07 0.000E+00 a 0 - - - 582 109.588 2.186 6.888 1 U 2.171E+07 0.000E+00 a 0 - - - 583 121.187 2.135 7.926 1 U 1.979E+07 0.000E+00 a 0 - - - 585 120.825 2.150 8.018 1 U 9.467E+07 0.000E+00 a 0 N.B30 QB.B29 H.B30 586 120.268 2.151 7.988 1 U 2.472E+08 0.000E+00 a 0 N.B26 HB3.B26 H.B26 587 120.393 2.141 7.811 1 U 2.186E+07 0.000E+00 a 0 - - - 590 117.799 2.150 8.129 1 U 3.402E+08 0.000E+00 a 0 N.B29 QB.B29 H.B29 591 117.653 2.146 7.918 1 U 2.426E+08 0.000E+00 a 0 N.B9 QB.B9 H.B9 592 117.070 2.164 7.859 1 U 4.406E+08 0.000E+00 a 0 N.B25 QB.B25 H.B25 593 116.088 2.135 7.959 1 U 2.267E+08 0.000E+00 a 0 N.B13 QB.B13 H.B13 594 112.286 2.151 6.800 1 U 2.031E+07 0.000E+00 a 0 - - - 595 111.903 2.128 7.530 1 U 2.203E+07 0.000E+00 a 0 - - - 596 111.985 2.150 7.502 1 U 2.218E+07 0.000E+00 a 0 - - - 597 111.738 2.142 6.800 1 U 2.352E+07 0.000E+00 a 0 - - - 598 111.226 2.142 7.381 1 U 3.629E+07 0.000E+00 a 0 - - - 599 122.817 2.114 8.292 1 U 1.316E+08 0.000E+00 a 0 N.B7 QB.B6 H.B7 600 121.304 2.116 7.853 1 U 6.894E+07 0.000E+00 a 0 - - - 601 120.376 2.098 8.210 1 U 2.788E+07 0.000E+00 a 0 - - - 602 119.924 2.112 8.391 1 U 1.465E+08 0.000E+00 a 0 N.B6 QB.B6 H.B6 603 119.261 2.082 7.772 1 U 7.365E+07 0.000E+00 a 0 N.B20 - H.B20 604 118.554 2.109 8.953 1 U 2.011E+08 0.000E+00 a 0 N.B36 QB.B36 H.B36 605 116.654 2.106 8.068 1 U 5.225E+07 0.000E+00 a 0 N.B45 QG.B44 H.B45 606 110.517 2.106 6.728 1 U 1.806E+07 0.000E+00 a 0 - - - 607 110.330 2.093 7.053 1 U 3.062E+07 0.000E+00 a 0 - - - 608 126.414 2.076 8.074 1 U 1.007E+08 0.000E+00 a 0 N.B50 HB2.B50 H.B50 609 124.093 2.064 8.061 1 U 1.760E+08 0.000E+00 a 0 N.B24 QB.B24 H.B24 610 119.168 2.073 8.259 1 U 1.593E+08 0.000E+00 a 0 N.B23 HB3.B23 H.B23 611 117.564 2.062 8.380 1 U 2.765E+07 0.000E+00 a 0 - - - 612 116.774 2.053 8.381 1 U 3.053E+07 0.000E+00 a 0 N.B19 QB.B18 H.B19 613 116.802 2.045 8.190 1 U 2.241E+08 0.000E+00 a 0 - - - 614 119.606 1.993 7.574 1 U 1.755E+08 0.000E+00 a 0 N.B47 - H.B47 615 118.407 1.997 8.039 1 U 1.066E+08 0.000E+00 a 0 N.B48 - H.B48 616 121.515 1.956 8.203 1 U 1.321E+08 0.000E+00 a 0 N.B49 HB3.B49 H.B49 619 113.586 1.939 8.011 1 U 3.989E+07 0.000E+00 a 0 - - - 620 126.416 1.925 8.074 1 U 8.345E+07 0.000E+00 a 0 N.B50 HB3.B50 H.B50 621 122.896 1.929 8.292 1 U 3.311E+07 0.000E+00 a 0 N.B7 HG3.B5 H.B7 622 121.710 1.915 8.372 1 U 8.475E+07 0.000E+00 a 0 - - - 623 120.837 1.891 7.965 1 U 3.106E+08 0.000E+00 a 0 N.B43 HB.B42 H.B43 625 118.463 1.915 8.601 1 U 1.647E+08 0.000E+00 a 0 N.B42 HB.B42 H.B42 627 119.564 1.865 7.903 1 U 1.536E+08 0.000E+00 a 0 N.B44 - H.B44 628 119.018 1.860 8.382 1 U 1.783E+08 0.000E+00 a 0 N.B12 HB2.B12 H.B12 629 116.456 1.855 8.066 1 U 6.340E+07 0.000E+00 a 0 N.B45 QB.B45 H.B45 630 116.009 1.880 7.959 1 U 7.735E+07 0.000E+00 a 0 N.B13 HB2.B12 H.B13 631 120.990 1.839 8.018 1 U 1.688E+08 0.000E+00 a 0 N.B30 HB.B30 H.B30 632 119.694 1.814 7.767 1 U 2.427E+07 0.000E+00 a 0 - - - 633 118.975 1.814 7.767 1 U 2.237E+07 0.000E+00 a 0 - - - 634 117.862 1.800 8.128 1 U 7.897E+07 0.000E+00 a 0 N.B29 HB2.B28 H.B29 635 115.744 1.802 8.449 1 U 1.989E+08 0.000E+00 a 0 N.B32 QB.B32 H.B32 636 111.321 1.812 7.570 1 U 5.794E+07 0.000E+00 a 0 N.B33 QB.B32 H.B33 638 117.804 1.774 7.860 1 U 1.603E+08 0.000E+00 a 0 N.B28 HB2.B28 H.B28 639 117.405 1.768 7.435 1 U 1.304E+08 0.000E+00 a 0 N.B16 HB2.B16 H.B16 640 117.310 1.768 7.387 1 U 3.406E+07 0.000E+00 a 0 N.B17 HB2.B16 H.B17 641 116.673 1.795 8.384 1 U 3.986E+07 0.000E+00 a 0 - - - 642 121.750 1.734 8.372 1 U 7.777E+07 0.000E+00 a 0 N.B15 QB.B15 H.B15 643 121.242 1.712 7.854 1 U 1.074E+08 0.000E+00 a 0 N.B37 QB.B37 H.B37 644 119.003 1.728 8.238 1 U 5.489E+07 0.000E+00 a 0 N.B38 QB.B38 H.B38 645 121.044 1.680 7.957 1 U 4.017E+07 0.000E+00 a 0 N.B43 QG.B45 H.B43 646 118.873 1.682 8.038 1 U 2.212E+07 0.000E+00 a 0 - - - 647 123.391 1.618 8.546 1 U 7.755E+07 0.000E+00 a 0 N.B11 HB2.B11 H.B11 648 113.630 1.612 8.013 1 U 2.853E+07 0.000E+00 a 0 N.B46 QG.B45 H.B46 649 112.112 1.625 7.677 1 U 2.320E+07 0.000E+00 a 0 - - - 650 117.757 1.572 7.918 1 U 5.136E+07 0.000E+00 a 0 N.B9 HG.B8 H.B9 651 117.855 1.573 7.841 1 U 1.181E+08 0.000E+00 a 0 N.B8 HG.B8 H.B8 652 116.412 1.606 8.068 1 U 5.071E+07 0.000E+00 a 0 N.B45 QG.B45 H.B45 654 112.523 1.609 7.509 1 U 1.299E+07 0.000E+00 a 0 - - - 655 112.256 1.609 7.508 1 U 1.200E+07 0.000E+00 a 0 - - - 656 112.215 1.589 7.496 1 U 3.002E+07 0.000E+00 a 0 - - - 657 120.959 1.492 7.605 1 U 4.533E+08 0.000E+00 a 0 N.B40 QB.B40 H.B40 658 120.329 1.491 8.602 1 U 9.132E+07 0.000E+00 a 0 N.B41 QB.B40 H.B41 659 119.139 1.495 8.037 1 U 3.424E+08 0.000E+00 a 0 N.B39 QB.B39 H.B39 660 118.920 1.509 8.383 1 U 6.597E+07 0.000E+00 a 0 N.B12 HG.B12 H.B12 661 117.863 1.480 7.860 1 U 8.960E+07 0.000E+00 a 0 - - - 662 116.004 1.491 7.959 1 U 4.757E+07 0.000E+00 a 0 N.B13 HG.B12 H.B13 663 111.551 1.484 7.433 1 U 3.851E+07 0.000E+00 a 0 - - - 664 121.685 1.453 8.375 1 U 4.861E+07 0.000E+00 a 0 N.B15 HG.B15 H.B15 665 120.837 1.446 7.960 1 U 5.124E+07 0.000E+00 a 0 N.B43 QD.B43 H.B43 666 117.686 1.463 8.127 1 U 3.940E+07 0.000E+00 a 0 N.B29 HB3.B28 H.B29 667 117.438 1.458 7.435 1 U 5.814E+07 0.000E+00 a 0 N.B16 HG.B15 H.B16 669 117.165 1.436 7.393 1 U 3.124E+07 0.000E+00 a 0 - - - 670 111.404 1.381 7.384 1 U 1.086E+08 0.000E+00 a 0 - - - 671 122.833 1.352 8.444 1 U 2.218E+07 0.000E+00 a 0 - - - 672 122.779 1.352 8.292 1 U 2.762E+08 0.000E+00 a 0 N.B7 QB.B7 H.B7 674 119.205 1.358 7.903 1 U 2.568E+07 0.000E+00 a 0 - - - 675 117.859 1.355 7.842 1 U 9.172E+07 0.000E+00 a 0 N.B8 QB.B7 H.B8 676 117.165 1.355 8.342 1 U 2.189E+07 0.000E+00 a 0 ND2.B34 HG3.B32 HD22.B34 678 116.374 1.361 8.067 1 U 5.939E+07 0.000E+00 a 0 N.B45 - H.B45 679 115.726 1.347 8.450 1 U 3.860E+07 0.000E+00 a 0 N.B32 HG3.B32 H.B32 680 111.493 1.374 6.803 1 U 2.777E+07 0.000E+00 a 0 - - - 681 110.532 1.362 6.725 1 U 1.801E+07 0.000E+00 a 0 - - - 682 120.105 1.244 7.987 1 U 2.032E+07 0.000E+00 a 0 - - - 683 118.617 1.239 8.415 1 U 1.047E+08 0.000E+00 a 0 N.B3 QG2.B3 H.B3 684 121.620 1.232 8.372 1 U 2.882E+07 0.000E+00 a 0 N.B15 QG2.B14 H.B15 685 119.498 1.219 8.170 1 U 6.275E+07 0.000E+00 a 0 N.B27 - H.B27 686 118.031 1.226 7.292 1 U 2.049E+07 0.000E+00 a 0 - - - 687 116.750 1.225 8.147 1 U 3.031E+07 0.000E+00 a 0 N.B14 QG2.B14 H.B14 688 115.742 1.220 8.451 1 U 2.431E+07 0.000E+00 a 0 - - - 689 111.282 1.211 6.737 1 U 1.759E+07 0.000E+00 a 0 - - - 690 110.992 1.213 7.283 1 U 3.637E+07 0.000E+00 a 0 NE2.B22 - HE21.B22 691 110.123 1.230 7.059 1 U 2.009E+07 0.000E+00 a 0 - - - 692 118.252 1.144 8.602 1 U 2.922E+07 0.000E+00 a 0 N.B42 - H.B42 693 112.093 0.964 6.996 1 U 2.698E+07 0.000E+00 a 0 - - - 694 120.416 0.909 7.988 1 U 4.411E+07 0.000E+00 a 0 N.B26 QG1.B27 H.B26 695 119.994 0.913 7.986 1 U 3.885E+07 0.000E+00 a 0 - - - 696 119.557 0.928 8.168 1 U 2.116E+08 0.000E+00 a 0 N.B27 QG1.B27 H.B27 697 118.475 0.913 8.600 1 U 8.678E+07 0.000E+00 a 0 N.B42 QD1.B42 H.B42 698 123.376 0.869 8.548 1 U 7.775E+07 0.000E+00 a 0 N.B11 QQD.B11 H.B11 699 120.964 0.864 8.017 1 U 7.332E+07 0.000E+00 a 0 - - - 700 120.837 0.892 7.962 1 U 6.496E+07 0.000E+00 a 0 N.B43 QG2.B42 H.B43 701 119.826 0.883 7.898 1 U 1.952E+07 0.000E+00 a 0 - QG2.B42 H.B44 702 119.004 0.867 8.383 1 U 1.027E+08 0.000E+00 a 0 N.B12 QQD.B11 H.B12 703 118.154 0.867 7.916 1 U 3.709E+07 0.000E+00 a 0 - - - 704 117.623 0.876 7.916 1 U 4.278E+07 0.000E+00 a 0 N.B9 QD1.B8 H.B9 705 111.549 0.892 6.802 1 U 3.674E+07 0.000E+00 a 0 - - - 706 122.815 0.826 8.295 1 U 2.215E+07 0.000E+00 a 0 N.B7 QD1.B8 H.B7 707 121.721 0.825 8.371 1 U 7.474E+07 0.000E+00 a 0 N.B15 QQD.B15 H.B15 708 119.968 0.824 7.855 1 U 2.016E+07 0.000E+00 a 0 - - - 709 119.143 0.844 8.239 1 U 2.874E+07 0.000E+00 a 0 N.B38 QQD.B37 H.B38 712 118.280 0.831 7.286 1 U 2.426E+07 0.000E+00 a 0 N.B34 QG2.B30 H.B34 713 117.709 0.820 8.130 1 U 4.255E+07 0.000E+00 a 0 N.B29 QD2.B28 H.B29 714 117.726 0.839 7.859 1 U 1.210E+08 0.000E+00 a 0 N.B28 QD2.B28 H.B28 715 117.517 0.827 8.342 1 U 4.005E+07 0.000E+00 a 0 ND2.B34 QG2.B30 HD22.B34 716 117.565 0.837 7.432 1 U 2.112E+07 0.000E+00 a 0 N.B16 QQD.B15 H.B16 717 117.482 0.835 7.201 1 U 3.056E+07 0.000E+00 a 0 ND2.B34 QG2.B30 HD21.B34 718 116.133 0.845 7.960 1 U 3.287E+07 0.000E+00 a 0 N.B13 QQD.B11 H.B13 719 110.563 0.837 7.055 1 U 2.436E+07 0.000E+00 a 0 - - - 720 110.416 0.832 6.564 1 U 2.296E+07 0.000E+00 a 0 - - - 721 110.124 0.831 6.564 1 U 2.318E+07 0.000E+00 a 0 - - - 722 121.228 0.811 7.853 1 U 4.805E+07 0.000E+00 a 0 N.B37 QQD.B37 H.B37 723 112.104 0.790 6.883 1 U 1.889E+07 0.000E+00 a 0 - - - 724 111.655 0.797 6.882 1 U 2.002E+07 0.000E+00 a 0 - - - 725 110.969 0.783 7.286 1 U 2.667E+07 0.000E+00 a 0 NE2.B22 - HE21.B22 726 111.048 0.801 6.883 1 U 1.740E+07 0.000E+00 a 0 - - - 727 110.894 0.770 6.733 1 U 3.702E+07 0.000E+00 a 0 NE2.B22 - HE22.B22 728 121.018 0.758 8.020 1 U 7.804E+07 0.000E+00 a 0 N.B30 QD1.B30 H.B30 729 120.693 0.759 7.991 1 U 3.591E+07 0.000E+00 a 0 - - - 731 119.570 0.655 8.168 1 U 7.025E+07 0.000E+00 a 0 N.B27 - H.B27 732 117.798 0.648 7.862 1 U 5.154E+07 0.000E+00 a 0 N.B28 - H.B28 733 119.084 0.475 8.240 1 U 2.315E+07 0.000E+00 a 0 N.B38 QD2.B31 H.B38 734 119.172 0.473 8.177 1 U 4.182E+07 0.000E+00 a 0 N.B31 QD2.B31 H.B31 735 118.817 0.185 8.373 1 U 1.284E+07 0.000E+00 a 0 - - - 736 119.777 0.038 8.180 1 U 1.635E+07 0.000E+00 a 0 - - - 737 119.374 0.048 8.180 1 U 1.943E+07 0.000E+00 a 0 N.B31 QD1.B31 H.B31 739 117.945 3.970 7.845 1 U 1.253E+08 0.000E+00 a 0 N.B8 HA.B8 H.B8 740 118.570 8.600 8.611 1 U 5.271E+08 0.000E+00 a 0 N.B42 H.B42 H.B42 741 120.068 8.385 8.389 1 U 1.299E+09 0.000E+00 a 0 N.B6 H.B6 H.B6 743 119.921 1.858 8.386 1 U 1.204E+08 0.000E+00 a 0 N.B6 - H.B6 744 117.382 1.988 7.439 1 U 6.266E+07 0.000E+00 a 0 N.B16 HB3.B16 H.B16 745 117.382 1.784 7.440 1 U 1.218E+08 0.000E+00 a 0 - - - 749 115.937 8.722 8.722 1 U 2.348E+08 0.000E+00 a 0 N.B2 H.B2 H.B2 750 118.687 4.826 8.423 1 U 1.869E+07 0.000E+00 a 0 - - - 751 118.687 2.395 8.418 1 U 5.570E+07 0.000E+00 a 0 - - - 752 118.687 2.110 8.428 1 U 6.476E+07 0.000E+00 a 0 - - - 754 120.068 3.869 8.385 1 U 4.803E+07 0.000E+00 a 0 - - - 755 120.068 1.539 8.387 1 U 2.729E+07 0.000E+00 a 0 - - - 756 120.068 0.852 8.392 1 U 4.752E+07 0.000E+00 a 0 - - - 757 122.746 3.916 8.292 1 U 1.996E+07 0.000E+00 a 0 - - - 758 117.938 7.843 7.847 1 U 2.183E+09 0.000E+00 a 0 N.B28 H.B28 H.B28 758 117.938 7.843 7.847 1 U 2.183E+09 0.000E+00 a 0 N.B28 H.B8 H.B28 758 117.938 7.843 7.847 1 U 2.183E+09 0.000E+00 a 0 N.B8 H.B28 H.B28 758 117.938 7.843 7.847 1 U 2.183E+09 0.000E+00 a 0 N.B8 H.B8 H.B28 758 117.938 7.843 7.847 1 U 2.183E+09 0.000E+00 a 0 N.B28 H.B28 H.B8 758 117.938 7.843 7.847 1 U 2.183E+09 0.000E+00 a 0 N.B28 H.B8 H.B8 758 117.938 7.843 7.847 1 U 2.183E+09 0.000E+00 a 0 N.B8 H.B28 H.B8 758 117.938 7.843 7.847 1 U 2.183E+09 0.000E+00 a 0 N.B8 H.B8 H.B8 759 117.938 3.702 7.864 1 U 8.652E+07 0.000E+00 a 0 - - - 760 117.938 2.450 7.862 1 U 1.212E+08 0.000E+00 a 0 - - - 761 117.938 2.160 7.864 1 U 3.148E+08 0.000E+00 a 0 - - - 762 117.938 0.836 7.859 1 U 1.165E+08 0.000E+00 a 0 - - - 763 117.756 1.831 7.923 1 U 6.117E+07 0.000E+00 a 0 - - - 764 117.756 1.383 7.916 1 U 1.663E+07 0.000E+00 a 0 - - - 765 119.157 8.460 8.172 1 U 8.725E+07 0.000E+00 a 0 - - - 766 119.157 8.551 8.152 1 U 1.108E+08 0.000E+00 a 0 - - - 767 119.157 3.662 8.174 1 U 6.693E+07 0.000E+00 a 0 - - - 768 119.157 4.041 8.152 1 U 1.453E+08 0.000E+00 a 0 - - - 769 119.157 3.273 8.167 1 U 7.403E+07 0.000E+00 a 0 - - - 770 119.157 1.226 8.172 1 U 5.866E+07 0.000E+00 a 0 - - - 771 119.157 0.926 8.170 1 U 1.973E+08 0.000E+00 a 0 - - - 772 119.157 0.660 8.170 1 U 6.474E+07 0.000E+00 a 0 - - - 773 119.157 0.052 8.177 1 U 1.987E+07 0.000E+00 a 0 N.B31 QD1.B31 H.B31 774 123.415 1.843 8.553 1 U 1.037E+07 0.000E+00 a 0 - - - 775 123.415 2.052 8.550 1 U 4.619E+07 0.000E+00 a 0 - - - 776 119.109 4.377 8.391 1 U 4.204E+07 0.000E+00 a 0 - - - 777 119.109 3.883 8.383 1 U 9.195E+07 0.000E+00 a 0 - - - 778 119.109 1.533 8.386 1 U 6.953E+07 0.000E+00 a 0 - - - 779 116.039 8.170 7.962 1 U 1.731E+08 0.000E+00 a 0 - - - 780 116.824 8.143 8.153 1 U 1.590E+09 0.000E+00 a 0 N.B14 H.B14 H.B14 781 121.601 7.921 8.381 1 U 9.258E+06 0.000E+00 a 0 - - - 782 121.601 2.109 8.374 1 U 3.702E+07 0.000E+00 a 0 - - - 783 117.382 1.652 7.440 1 U 9.006E+07 0.000E+00 a 0 - - - 784 117.382 0.840 7.438 1 U 2.059E+07 0.000E+00 a 0 - - - 785 117.310 1.985 7.388 1 U 2.846E+07 0.000E+00 a 0 N.B17 HB3.B16 H.B17 786 116.929 7.161 8.382 1 U 4.486E+07 0.000E+00 a 0 - - - 787 116.929 1.792 8.384 1 U 4.086E+07 0.000E+00 a 0 - - - 788 119.359 8.026 7.769 1 U 8.309E+07 0.000E+00 a 0 - - - 789 119.359 1.823 7.769 1 U 2.332E+07 0.000E+00 a 0 - - - 790 116.803 4.311 8.192 1 U 4.979E+07 0.000E+00 a 0 - - - 791 124.071 4.253 8.057 1 U 1.760E+07 0.000E+00 a 0 - - - 792 117.070 7.863 7.859 1 U 3.045E+09 0.000E+00 a 0 N.B25 H.B25 H.B25 793 117.070 8.224 7.859 1 U 2.525E+08 0.000E+00 a 0 - - - 794 117.070 3.685 7.862 1 U 8.405E+07 0.000E+00 a 0 - - - 795 120.251 8.186 7.985 1 U 2.422E+08 0.000E+00 a 0 - - - 796 119.498 8.169 8.170 1 U 2.350E+09 0.000E+00 a 0 - - - 797 117.430 8.171 7.864 1 U 3.229E+08 0.000E+00 a 0 - - - 798 117.781 3.705 8.130 1 U 2.443E+07 0.000E+00 a 0 - - - 799 120.785 3.601 8.025 1 U 4.493E+07 0.000E+00 a 0 - - - 800 120.785 2.391 8.017 1 U 4.033E+07 0.000E+00 a 0 - - - 801 120.785 0.905 8.022 1 U 7.292E+07 0.000E+00 a 0 - - - 802 120.785 0.742 8.025 1 U 6.592E+07 0.000E+00 a 0 - - - 803 115.773 0.826 8.447 1 U 1.606E+07 0.000E+00 a 0 - - - 804 111.532 1.805 7.570 1 U 5.941E+07 0.000E+00 a 0 N.B33 QB.B32 H.B33 805 118.413 3.992 7.291 1 U 5.312E+07 0.000E+00 a 0 - - - 806 118.413 1.226 7.291 1 U 1.769E+07 0.000E+00 a 0 - - - 807 118.413 8.378 7.289 1 U 4.250E+07 0.000E+00 a 0 - - H.B34 808 118.413 8.204 7.289 1 U 2.758E+07 0.000E+00 a 0 N.B34 - H.B34 809 118.523 5.337 8.954 1 U 1.440E+07 0.000E+00 a 0 - - - 810 118.523 3.627 8.961 1 U 1.765E+07 0.000E+00 a 0 - - - 811 121.203 4.018 7.856 1 U 1.925E+07 0.000E+00 a 0 - - - 812 121.203 4.353 7.856 1 U 2.340E+07 0.000E+00 a 0 - - - 813 121.203 2.746 7.861 1 U 1.672E+07 0.000E+00 a 0 - - - 814 121.203 2.519 7.853 1 U 3.725E+07 0.000E+00 a 0 - - - 815 119.003 8.252 8.248 1 U 1.860E+09 0.000E+00 a 0 N.B38 H.B38 H.B38 815 119.003 8.252 8.248 1 U 1.860E+09 0.000E+00 a 0 N.B38 H.B23 H.B38 815 119.003 8.252 8.248 1 U 1.860E+09 0.000E+00 a 0 N.B23 H.B38 H.B38 815 119.003 8.252 8.248 1 U 1.860E+09 0.000E+00 a 0 N.B23 H.B23 H.B38 815 119.003 8.252 8.248 1 U 1.860E+09 0.000E+00 a 0 N.B38 H.B38 H.B23 815 119.003 8.252 8.248 1 U 1.860E+09 0.000E+00 a 0 N.B38 H.B23 H.B23 815 119.003 8.252 8.248 1 U 1.860E+09 0.000E+00 a 0 N.B23 H.B38 H.B23 815 119.003 8.252 8.248 1 U 1.860E+09 0.000E+00 a 0 N.B23 H.B23 H.B23 816 119.058 4.235 8.037 1 U 1.416E+08 0.000E+00 a 0 N.B39 - H.B39 817 119.058 4.670 8.039 1 U 4.845E+07 0.000E+00 a 0 N.B39 - H.B39 818 119.058 7.601 8.035 1 U 1.384E+08 0.000E+00 a 0 - - - 819 119.058 8.580 8.039 1 U 2.006E+07 0.000E+00 a 0 - - - 820 119.058 3.354 8.039 1 U 3.579E+07 0.000E+00 a 0 - - - 821 119.058 3.066 8.039 1 U 6.144E+07 0.000E+00 a 0 - - - 822 119.058 1.995 8.039 1 U 9.277E+07 0.000E+00 a 0 - - - 823 119.058 0.910 8.032 1 U 2.532E+07 0.000E+00 a 0 - - - 824 120.878 2.353 7.604 1 U 2.049E+07 0.000E+00 a 0 - - - 825 120.878 0.857 7.609 1 U 1.804E+07 0.000E+00 a 0 - - - 826 120.125 7.603 8.601 1 U 8.776E+07 0.000E+00 a 0 - - - 827 120.125 7.950 8.606 1 U 2.107E+07 0.000E+00 a 0 - - - 828 120.125 3.863 8.601 1 U 4.514E+07 0.000E+00 a 0 N.B41 HA.B41 H.B41 829 120.125 2.928 8.601 1 U 6.795E+07 0.000E+00 a 0 N.B41 HB2.B41 H.B41 830 120.125 1.922 8.599 1 U 2.754E+07 0.000E+00 a 0 - - - 831 120.125 1.493 8.604 1 U 8.822E+07 0.000E+00 a 0 N.B41 QB.B40 H.B41 832 120.125 0.885 8.599 1 U 3.004E+07 0.000E+00 a 0 - - - 833 120.125 0.472 8.599 1 U 1.723E+07 0.000E+00 a 0 - - - 834 118.530 3.362 8.601 1 U 5.283E+07 0.000E+00 a 0 - - - 835 118.530 2.919 8.603 1 U 2.797E+07 0.000E+00 a 0 - - - 836 118.530 1.150 8.603 1 U 2.849E+07 0.000E+00 a 0 - - - 837 118.530 1.496 8.603 1 U 1.766E+07 0.000E+00 a 0 - - - 838 118.530 3.871 8.603 1 U 1.778E+07 0.000E+00 a 0 - - - 839 118.530 4.092 8.603 1 U 4.338E+07 0.000E+00 a 0 - - - 840 120.837 8.170 7.960 1 U 8.547E+07 0.000E+00 a 0 - - - 841 120.837 3.456 7.960 1 U 2.546E+07 0.000E+00 a 0 - - - 842 120.837 4.100 7.955 1 U 7.385E+07 0.000E+00 a 0 - - - 843 119.156 3.922 7.909 1 U 1.127E+08 0.000E+00 a 0 - - - 844 119.156 2.406 7.909 1 U 6.863E+07 0.000E+00 a 0 - - - 845 119.156 2.146 7.900 1 U 9.818E+07 0.000E+00 a 0 - - - 846 119.156 1.860 7.909 1 U 1.317E+08 0.000E+00 a 0 - - - 847 119.156 0.871 7.909 1 U 1.859E+07 0.000E+00 a 0 - - - 848 116.456 2.102 8.064 1 U 4.617E+07 0.000E+00 a 0 - - - 849 116.456 3.475 8.071 1 U 1.518E+07 0.000E+00 a 0 - - - 850 116.456 8.062 8.066 1 U 9.426E+08 0.000E+00 a 0 N.B45 H.B45 H.B45 851 113.598 1.853 8.010 1 U 4.107E+07 0.000E+00 a 0 - - - 852 113.598 1.363 8.017 1 U 1.774E+07 0.000E+00 a 0 - - - 853 113.598 0.881 8.012 1 U 1.426E+07 0.000E+00 a 0 - - - 854 118.472 4.665 8.039 1 U 7.926E+07 0.000E+00 a 0 - - - 855 118.472 4.052 8.041 1 U 1.070E+08 0.000E+00 a 0 - - - 856 118.472 3.068 8.043 1 U 8.280E+07 0.000E+00 a 0 N.B48 HB2.B48 H.B48 857 118.472 2.392 8.039 1 U 6.970E+07 0.000E+00 a 0 - - - 858 118.472 1.491 8.041 1 U 2.570E+08 0.000E+00 a 0 N.B48 - H.B48 859 118.472 0.913 8.036 1 U 2.101E+07 0.000E+00 a 0 - - - 860 121.489 2.075 8.206 1 U 5.616E+07 0.000E+00 a 0 - - - 861 118.138 3.339 8.040 1 U 5.534E+07 0.000E+00 a 0 - - - 862 118.138 2.372 8.037 1 U 6.346E+07 0.000E+00 a 0 - - - 863 118.138 1.985 8.040 1 U 1.070E+08 0.000E+00 a 0 - - - 864 118.138 1.491 8.040 1 U 2.005E+08 0.000E+00 a 0 - - - 865 118.138 0.878 8.032 1 U 2.011E+07 0.000E+00 a 0 - - - 866 118.138 4.242 8.037 1 U 1.699E+08 0.000E+00 a 0 - - - 867 120.379 0.875 8.599 1 U 2.312E+07 0.000E+00 a 0 - - - 868 120.379 0.465 8.599 1 U 9.377E+06 0.000E+00 a 0 - - - ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN . . 10 ppm . . . 4.7 . . 34187 4 2 . . H 1 HN . . 10 ppm . . . 4.7 . . 34187 4 3 . . N 15 N . . 20 ppm . . . 118 . . 34187 4 stop_ save_