data_34188 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34188 _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 2018-10-23 _Entry.Original_release_date 2018-10-23 _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' 34188 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. . . 34188 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CID . 34188 'DNA BINDING PROTEIN' . 34188 IDP . 34188 NCBD . 34188 complex . 34188 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34188 spectral_peak_list 1 34188 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 221 34188 '15N chemical shifts' 87 34188 '1H chemical shifts' 588 34188 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' 34188 1 . . 2019-03-21 2017-10-19 original author 'original release' 34188 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6ES6 . 34188 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34188 _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. . . . 34188 1 2 Elin Karlsson E. . . . 34188 1 3 Beat Vogeli B. . . . 34188 1 4 Brenda Guzovsky B. . . . 34188 1 5 Eva Andersson E. . . . 34188 1 6 Greta Hultqvist G. . . . 34188 1 7 Jakob Dogan J. . . . 34188 1 8 Peter Guntert P. . . . 34188 1 9 Roland Riek R. . . . 34188 1 10 Celestine Chi C. N. . . 34188 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34188 _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 . . . . . . 34188 1 2 entity_2 2 $entity_2 B B yes . . . . . . 34188 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34188 _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 . 34188 1 2 1039 SER . 34188 1 3 1040 GLU . 34188 1 4 1041 SER . 34188 1 5 1042 GLN . 34188 1 6 1043 ASN . 34188 1 7 1044 ASP . 34188 1 8 1045 GLU . 34188 1 9 1046 LYS . 34188 1 10 1047 ALA . 34188 1 11 1048 LEU . 34188 1 12 1049 LEU . 34188 1 13 1050 ASP . 34188 1 14 1051 GLN . 34188 1 15 1052 LEU . 34188 1 16 1053 ASP . 34188 1 17 1054 SER . 34188 1 18 1055 LEU . 34188 1 19 1056 LEU . 34188 1 20 1057 SER . 34188 1 21 1058 SER . 34188 1 22 1059 THR . 34188 1 23 1060 ASP . 34188 1 24 1061 GLU . 34188 1 25 1062 MET . 34188 1 26 1063 GLU . 34188 1 27 1064 LEU . 34188 1 28 1065 ALA . 34188 1 29 1066 GLU . 34188 1 30 1067 ILE . 34188 1 31 1068 ASP . 34188 1 32 1069 ARG . 34188 1 33 1070 ALA . 34188 1 34 1071 LEU . 34188 1 35 1072 GLY . 34188 1 36 1073 ILE . 34188 1 37 1074 ASP . 34188 1 38 1075 LYS . 34188 1 39 1076 LEU . 34188 1 40 1077 VAL . 34188 1 41 1078 SER . 34188 1 42 1079 GLN . 34188 1 43 1080 GLN . 34188 1 44 1081 GLY . 34188 1 45 1082 GLY . 34188 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 34188 1 . SER 2 2 34188 1 . GLU 3 3 34188 1 . SER 4 4 34188 1 . GLN 5 5 34188 1 . ASN 6 6 34188 1 . ASP 7 7 34188 1 . GLU 8 8 34188 1 . LYS 9 9 34188 1 . ALA 10 10 34188 1 . LEU 11 11 34188 1 . LEU 12 12 34188 1 . ASP 13 13 34188 1 . GLN 14 14 34188 1 . LEU 15 15 34188 1 . ASP 16 16 34188 1 . SER 17 17 34188 1 . LEU 18 18 34188 1 . LEU 19 19 34188 1 . SER 20 20 34188 1 . SER 21 21 34188 1 . THR 22 22 34188 1 . ASP 23 23 34188 1 . GLU 24 24 34188 1 . MET 25 25 34188 1 . GLU 26 26 34188 1 . LEU 27 27 34188 1 . ALA 28 28 34188 1 . GLU 29 29 34188 1 . ILE 30 30 34188 1 . ASP 31 31 34188 1 . ARG 32 32 34188 1 . ALA 33 33 34188 1 . LEU 34 34 34188 1 . GLY 35 35 34188 1 . ILE 36 36 34188 1 . ASP 37 37 34188 1 . LYS 38 38 34188 1 . LEU 39 39 34188 1 . VAL 40 40 34188 1 . SER 41 41 34188 1 . GLN 42 42 34188 1 . GLN 43 43 34188 1 . GLY 44 44 34188 1 . GLY 45 45 34188 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 34188 _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 ; GSIPPNALQDLLRTLRSPSS PQQQQQVLNILKSNPQLMAA FIKQRAAKYQ ; _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 5594.450 _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 . 34188 2 2 2061 SER . 34188 2 3 2062 ILE . 34188 2 4 2063 PRO . 34188 2 5 2064 PRO . 34188 2 6 2065 ASN . 34188 2 7 2066 ALA . 34188 2 8 2067 LEU . 34188 2 9 2068 GLN . 34188 2 10 2069 ASP . 34188 2 11 2070 LEU . 34188 2 12 2071 LEU . 34188 2 13 2072 ARG . 34188 2 14 2073 THR . 34188 2 15 2074 LEU . 34188 2 16 2075 ARG . 34188 2 17 2076 SER . 34188 2 18 2077 PRO . 34188 2 19 2078 SER . 34188 2 20 2079 SER . 34188 2 21 2080 PRO . 34188 2 22 2081 GLN . 34188 2 23 2082 GLN . 34188 2 24 2083 GLN . 34188 2 25 2084 GLN . 34188 2 26 2085 GLN . 34188 2 27 2086 VAL . 34188 2 28 2087 LEU . 34188 2 29 2088 ASN . 34188 2 30 2089 ILE . 34188 2 31 2090 LEU . 34188 2 32 2091 LYS . 34188 2 33 2092 SER . 34188 2 34 2093 ASN . 34188 2 35 2094 PRO . 34188 2 36 2095 GLN . 34188 2 37 2096 LEU . 34188 2 38 2097 MET . 34188 2 39 2098 ALA . 34188 2 40 2099 ALA . 34188 2 41 2100 PHE . 34188 2 42 2101 ILE . 34188 2 43 2102 LYS . 34188 2 44 2103 GLN . 34188 2 45 2104 ARG . 34188 2 46 2105 ALA . 34188 2 47 2106 ALA . 34188 2 48 2107 LYS . 34188 2 49 2108 TYR . 34188 2 50 2109 GLN . 34188 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 34188 2 . SER 2 2 34188 2 . ILE 3 3 34188 2 . PRO 4 4 34188 2 . PRO 5 5 34188 2 . ASN 6 6 34188 2 . ALA 7 7 34188 2 . LEU 8 8 34188 2 . GLN 9 9 34188 2 . ASP 10 10 34188 2 . LEU 11 11 34188 2 . LEU 12 12 34188 2 . ARG 13 13 34188 2 . THR 14 14 34188 2 . LEU 15 15 34188 2 . ARG 16 16 34188 2 . SER 17 17 34188 2 . PRO 18 18 34188 2 . SER 19 19 34188 2 . SER 20 20 34188 2 . PRO 21 21 34188 2 . GLN 22 22 34188 2 . GLN 23 23 34188 2 . GLN 24 24 34188 2 . GLN 25 25 34188 2 . GLN 26 26 34188 2 . VAL 27 27 34188 2 . LEU 28 28 34188 2 . ASN 29 29 34188 2 . ILE 30 30 34188 2 . LEU 31 31 34188 2 . LYS 32 32 34188 2 . SER 33 33 34188 2 . ASN 34 34 34188 2 . PRO 35 35 34188 2 . GLN 36 36 34188 2 . LEU 37 37 34188 2 . MET 38 38 34188 2 . ALA 39 39 34188 2 . ALA 40 40 34188 2 . PHE 41 41 34188 2 . ILE 42 42 34188 2 . LYS 43 43 34188 2 . GLN 44 44 34188 2 . ARG 45 45 34188 2 . ALA 46 46 34188 2 . ALA 47 47 34188 2 . LYS 48 48 34188 2 . TYR 49 49 34188 2 . GLN 50 50 34188 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 34188 _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 . . . . . . . . . . . . . 34188 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 34188 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 34188 _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 . . . . . . . . . . 34188 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34188 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34188 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '100 uM [U-99% 15N]/ U-13C CID, 100 uM [U-99% 15N]/ U-13C NCBD, 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-99% 15N; U-13C]' . . 1 $entity_1 . . 100 . . uM . . . . 34188 1 2 entity_2 '[U-99% 15N; U-13C]' . . 2 $entity_2 . . 100 . . uM . . . . 34188 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 34188 _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 34188 1 pH 6.5 . pH 34188 1 pressure 1 . Pa 34188 1 temperature 298 . K 34188 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34188 _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.' . . 34188 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34188 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 34188 _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 34188 _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 34188 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _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 34188 _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 . . . 34188 1 2 NMR_spectrometer_2 Bruker AvanceII . 700 . . . 34188 1 3 NMR_spectrometer_3 Bruker AvanceIII . 900 . . . 34188 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 34188 _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 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34188 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34188 1 3 '3D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34188 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34188 1 5 '2J HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34188 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34188 1 7 'filtered NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34188 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34188 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 34188 _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 H 1 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . 34188 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 34188 _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 '3D HNCACB' . . . 34188 1 2 '2D 1H-13C HSQC' . . . 34188 1 3 '3D 1H-1H NOESY' . . . 34188 1 4 '2D 1H-1H TOCSY' . . . 34188 1 5 '2J HNHA' . . . 34188 1 6 '3D HNCO' . . . 34188 1 7 'filtered NOESY' . . . 34188 1 8 '2D 1H-15N HSQC' . . . 34188 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 59.007 0 . . . . . . A 1039 SER CA . 34188 1 2 . 1 1 2 2 SER CB C 13 63.674 0 . . . . . . A 1039 SER CB . 34188 1 3 . 1 1 3 3 GLU H H 1 8.869 0.005 . . . . . . A 1040 GLU H . 34188 1 4 . 1 1 3 3 GLU HA H 1 4.328 0.007 . . . . . . A 1040 GLU HA . 34188 1 5 . 1 1 3 3 GLU HB2 H 1 2.098 0 . . . . . . A 1040 GLU HB2 . 34188 1 6 . 1 1 3 3 GLU HB3 H 1 2.014 0 . . . . . . A 1040 GLU HB3 . 34188 1 7 . 1 1 3 3 GLU HG2 H 1 2.24 0 . . . . . . A 1040 GLU HG2 . 34188 1 8 . 1 1 3 3 GLU HG3 H 1 2.24 0 . . . . . . A 1040 GLU HG3 . 34188 1 9 . 1 1 3 3 GLU CA C 13 57.273 0.099 . . . . . . A 1040 GLU CA . 34188 1 10 . 1 1 3 3 GLU CB C 13 29.532 0.002 . . . . . . A 1040 GLU CB . 34188 1 11 . 1 1 3 3 GLU N N 15 123.428 0.038 . . . . . . A 1040 GLU N . 34188 1 12 . 1 1 4 4 SER H H 1 8.343 0.002 . . . . . . A 1041 SER H . 34188 1 13 . 1 1 4 4 SER HA H 1 4.344 0 . . . . . . A 1041 SER HA . 34188 1 14 . 1 1 4 4 SER HB2 H 1 3.898 0 . . . . . . A 1041 SER HB2 . 34188 1 15 . 1 1 4 4 SER HB3 H 1 3.898 0 . . . . . . A 1041 SER HB3 . 34188 1 16 . 1 1 4 4 SER HG H 1 4.774 0 . . . . . . A 1041 SER HG . 34188 1 17 . 1 1 4 4 SER CA C 13 58.803 0.067 . . . . . . A 1041 SER CA . 34188 1 18 . 1 1 4 4 SER CB C 13 63.734 0.004 . . . . . . A 1041 SER CB . 34188 1 19 . 1 1 4 4 SER N N 15 116.91 0.05 . . . . . . A 1041 SER N . 34188 1 20 . 1 1 5 5 GLN H H 1 8.376 0 . . . . . . A 1042 GLN H . 34188 1 21 . 1 1 5 5 GLN CA C 13 56.52 0.019 . . . . . . A 1042 GLN CA . 34188 1 22 . 1 1 5 5 GLN CB C 13 29.114 0.028 . . . . . . A 1042 GLN CB . 34188 1 23 . 1 1 5 5 GLN N N 15 122.491 0.024 . . . . . . A 1042 GLN N . 34188 1 24 . 1 1 6 6 ASN H H 1 8.387 0.007 . . . . . . A 1043 ASN H . 34188 1 25 . 1 1 6 6 ASN HA H 1 4.692 0.002 . . . . . . A 1043 ASN HA . 34188 1 26 . 1 1 6 6 ASN HB2 H 1 2.817 0.008 . . . . . . A 1043 ASN HB2 . 34188 1 27 . 1 1 6 6 ASN HB3 H 1 2.77 0.01 . . . . . . A 1043 ASN HB3 . 34188 1 28 . 1 1 6 6 ASN HD21 H 1 7.628 0 . . . . . . A 1043 ASN HD21 . 34188 1 29 . 1 1 6 6 ASN CA C 13 53.478 0.032 . . . . . . A 1043 ASN CA . 34188 1 30 . 1 1 6 6 ASN CB C 13 38.934 0.063 . . . . . . A 1043 ASN CB . 34188 1 31 . 1 1 6 6 ASN N N 15 119.777 0.043 . . . . . . A 1043 ASN N . 34188 1 32 . 1 1 7 7 ASP H H 1 8.194 0.008 . . . . . . A 1044 ASP H . 34188 1 33 . 1 1 7 7 ASP HA H 1 4.568 0.009 . . . . . . A 1044 ASP HA . 34188 1 34 . 1 1 7 7 ASP HB2 H 1 2.736 0.006 . . . . . . A 1044 ASP HB2 . 34188 1 35 . 1 1 7 7 ASP HB3 H 1 2.736 0.006 . . . . . . A 1044 ASP HB3 . 34188 1 36 . 1 1 7 7 ASP CA C 13 54.903 0.053 . . . . . . A 1044 ASP CA . 34188 1 37 . 1 1 7 7 ASP CB C 13 41.061 0.088 . . . . . . A 1044 ASP CB . 34188 1 38 . 1 1 7 7 ASP N N 15 121.726 0.055 . . . . . . A 1044 ASP N . 34188 1 39 . 1 1 8 8 GLU H H 1 8.429 0.006 . . . . . . A 1045 GLU H . 34188 1 40 . 1 1 8 8 GLU HA H 1 3.949 0 . . . . . . A 1045 GLU HA . 34188 1 41 . 1 1 8 8 GLU HB2 H 1 2.097 0 . . . . . . A 1045 GLU HB2 . 34188 1 42 . 1 1 8 8 GLU HB3 H 1 2.097 0 . . . . . . A 1045 GLU HB3 . 34188 1 43 . 1 1 8 8 GLU HG2 H 1 2.745 0 . . . . . . A 1045 GLU HG2 . 34188 1 44 . 1 1 8 8 GLU HG3 H 1 2.745 0 . . . . . . A 1045 GLU HG3 . 34188 1 45 . 1 1 8 8 GLU CA C 13 59.782 0 . . . . . . A 1045 GLU CA . 34188 1 46 . 1 1 8 8 GLU CB C 13 30.109 0.018 . . . . . . A 1045 GLU CB . 34188 1 47 . 1 1 8 8 GLU N N 15 122.461 0.05 . . . . . . A 1045 GLU N . 34188 1 48 . 1 1 9 9 LYS H H 1 8.068 0.004 . . . . . . A 1046 LYS H . 34188 1 49 . 1 1 9 9 LYS HA H 1 3.975 0.003 . . . . . . A 1046 LYS HA . 34188 1 50 . 1 1 9 9 LYS HB2 H 1 1.884 0.007 . . . . . . A 1046 LYS HB2 . 34188 1 51 . 1 1 9 9 LYS HB3 H 1 1.884 0.007 . . . . . . A 1046 LYS HB3 . 34188 1 52 . 1 1 9 9 LYS HG2 H 1 1.466 0.008 . . . . . . A 1046 LYS HG2 . 34188 1 53 . 1 1 9 9 LYS HG3 H 1 1.46 0.011 . . . . . . A 1046 LYS HG3 . 34188 1 54 . 1 1 9 9 LYS HD2 H 1 1.664 0 . . . . . . A 1046 LYS HD2 . 34188 1 55 . 1 1 9 9 LYS HD3 H 1 1.664 0 . . . . . . A 1046 LYS HD3 . 34188 1 56 . 1 1 9 9 LYS CA C 13 59.39 0 . . . . . . A 1046 LYS CA . 34188 1 57 . 1 1 9 9 LYS CB C 13 32.101 0.048 . . . . . . A 1046 LYS CB . 34188 1 58 . 1 1 9 9 LYS CG C 13 24.885 0.05 . . . . . . A 1046 LYS CG . 34188 1 59 . 1 1 9 9 LYS CE C 13 42.255 0.055 . . . . . . A 1046 LYS CE . 34188 1 60 . 1 1 9 9 LYS N N 15 119.811 0.027 . . . . . . A 1046 LYS N . 34188 1 61 . 1 1 10 10 ALA H H 1 7.921 0.005 . . . . . . A 1047 ALA H . 34188 1 62 . 1 1 10 10 ALA HA H 1 4.205 0.006 . . . . . . A 1047 ALA HA . 34188 1 63 . 1 1 10 10 ALA HB1 H 1 1.487 0.008 . . . . . . A 1047 ALA HB1 . 34188 1 64 . 1 1 10 10 ALA HB2 H 1 1.487 0.008 . . . . . . A 1047 ALA HB2 . 34188 1 65 . 1 1 10 10 ALA HB3 H 1 1.487 0.008 . . . . . . A 1047 ALA HB3 . 34188 1 66 . 1 1 10 10 ALA CA C 13 54.838 0.044 . . . . . . A 1047 ALA CA . 34188 1 67 . 1 1 10 10 ALA CB C 13 18.241 0.017 . . . . . . A 1047 ALA CB . 34188 1 68 . 1 1 10 10 ALA N N 15 121.487 0.045 . . . . . . A 1047 ALA N . 34188 1 69 . 1 1 11 11 LEU H H 1 7.923 0.005 . . . . . . A 1048 LEU H . 34188 1 70 . 1 1 11 11 LEU HA H 1 4.064 0 . . . . . . A 1048 LEU HA . 34188 1 71 . 1 1 11 11 LEU HB2 H 1 1.936 0 . . . . . . A 1048 LEU HB2 . 34188 1 72 . 1 1 11 11 LEU HB3 H 1 1.76 0 . . . . . . A 1048 LEU HB3 . 34188 1 73 . 1 1 11 11 LEU HG H 1 1.49 0 . . . . . . A 1048 LEU HG . 34188 1 74 . 1 1 11 11 LEU HD21 H 1 0.865 0 . . . . . . A 1048 LEU HD21 . 34188 1 75 . 1 1 11 11 LEU HD22 H 1 0.865 0 . . . . . . A 1048 LEU HD22 . 34188 1 76 . 1 1 11 11 LEU HD23 H 1 0.865 0 . . . . . . A 1048 LEU HD23 . 34188 1 77 . 1 1 11 11 LEU CA C 13 57.875 0 . . . . . . A 1048 LEU CA . 34188 1 78 . 1 1 11 11 LEU CB C 13 42.072 0 . . . . . . A 1048 LEU CB . 34188 1 79 . 1 1 11 11 LEU N N 15 119.627 0.075 . . . . . . A 1048 LEU N . 34188 1 80 . 1 1 12 12 LEU H H 1 8.348 0.004 . . . . . . A 1049 LEU H . 34188 1 81 . 1 1 12 12 LEU HA H 1 4.017 0 . . . . . . A 1049 LEU HA . 34188 1 82 . 1 1 12 12 LEU HB2 H 1 1.66 0 . . . . . . A 1049 LEU HB2 . 34188 1 83 . 1 1 12 12 LEU HB3 H 1 1.493 0 . . . . . . A 1049 LEU HB3 . 34188 1 84 . 1 1 12 12 LEU HG H 1 1.493 0 . . . . . . A 1049 LEU HG . 34188 1 85 . 1 1 12 12 LEU HD11 H 1 0.858 0 . . . . . . A 1049 LEU HD11 . 34188 1 86 . 1 1 12 12 LEU HD12 H 1 0.858 0 . . . . . . A 1049 LEU HD12 . 34188 1 87 . 1 1 12 12 LEU HD13 H 1 0.858 0 . . . . . . A 1049 LEU HD13 . 34188 1 88 . 1 1 12 12 LEU HD21 H 1 0.858 0 . . . . . . A 1049 LEU HD21 . 34188 1 89 . 1 1 12 12 LEU HD22 H 1 0.858 0 . . . . . . A 1049 LEU HD22 . 34188 1 90 . 1 1 12 12 LEU HD23 H 1 0.858 0 . . . . . . A 1049 LEU HD23 . 34188 1 91 . 1 1 12 12 LEU CA C 13 58.307 0 . . . . . . A 1049 LEU CA . 34188 1 92 . 1 1 12 12 LEU CB C 13 41.296 0 . . . . . . A 1049 LEU CB . 34188 1 93 . 1 1 12 12 LEU N N 15 122.402 0.111 . . . . . . A 1049 LEU N . 34188 1 94 . 1 1 13 13 ASP H H 1 8.385 0.01 . . . . . . A 1050 ASP H . 34188 1 95 . 1 1 13 13 ASP HA H 1 4.447 0.002 . . . . . . A 1050 ASP HA . 34188 1 96 . 1 1 13 13 ASP HB2 H 1 2.842 0.002 . . . . . . A 1050 ASP HB2 . 34188 1 97 . 1 1 13 13 ASP HB3 H 1 2.701 0.008 . . . . . . A 1050 ASP HB3 . 34188 1 98 . 1 1 13 13 ASP CA C 13 57.307 0.03 . . . . . . A 1050 ASP CA . 34188 1 99 . 1 1 13 13 ASP CB C 13 39.982 0.006 . . . . . . A 1050 ASP CB . 34188 1 100 . 1 1 13 13 ASP N N 15 122.56 0.027 . . . . . . A 1050 ASP N . 34188 1 101 . 1 1 14 14 GLN H H 1 7.92 0.008 . . . . . . A 1051 GLN H . 34188 1 102 . 1 1 14 14 GLN HA H 1 4.079 0 . . . . . . A 1051 GLN HA . 34188 1 103 . 1 1 14 14 GLN HB2 H 1 2.333 0 . . . . . . A 1051 GLN HB2 . 34188 1 104 . 1 1 14 14 GLN HB3 H 1 2.333 0 . . . . . . A 1051 GLN HB3 . 34188 1 105 . 1 1 14 14 GLN HG2 H 1 2.124 0 . . . . . . A 1051 GLN HG2 . 34188 1 106 . 1 1 14 14 GLN HG3 H 1 2.124 0 . . . . . . A 1051 GLN HG3 . 34188 1 107 . 1 1 14 14 GLN CA C 13 59.24 0 . . . . . . A 1051 GLN CA . 34188 1 108 . 1 1 14 14 GLN CB C 13 28.757 0 . . . . . . A 1051 GLN CB . 34188 1 109 . 1 1 14 14 GLN N N 15 121.141 0.046 . . . . . . A 1051 GLN N . 34188 1 110 . 1 1 15 15 LEU H H 1 8.392 0.008 . . . . . . A 1052 LEU H . 34188 1 111 . 1 1 15 15 LEU HA H 1 4.462 0 . . . . . . A 1052 LEU HA . 34188 1 112 . 1 1 15 15 LEU HB2 H 1 1.924 0 . . . . . . A 1052 LEU HB2 . 34188 1 113 . 1 1 15 15 LEU HB3 H 1 1.766 0 . . . . . . A 1052 LEU HB3 . 34188 1 114 . 1 1 15 15 LEU HG H 1 1.549 0 . . . . . . A 1052 LEU HG . 34188 1 115 . 1 1 15 15 LEU HD11 H 1 0.866 0.004 . . . . . . A 1052 LEU HD11 . 34188 1 116 . 1 1 15 15 LEU HD12 H 1 0.866 0.004 . . . . . . A 1052 LEU HD12 . 34188 1 117 . 1 1 15 15 LEU HD13 H 1 0.866 0.004 . . . . . . A 1052 LEU HD13 . 34188 1 118 . 1 1 15 15 LEU HD21 H 1 0.866 0.004 . . . . . . A 1052 LEU HD21 . 34188 1 119 . 1 1 15 15 LEU HD22 H 1 0.866 0.004 . . . . . . A 1052 LEU HD22 . 34188 1 120 . 1 1 15 15 LEU HD23 H 1 0.866 0.004 . . . . . . A 1052 LEU HD23 . 34188 1 121 . 1 1 15 15 LEU CA C 13 57.632 0 . . . . . . A 1052 LEU CA . 34188 1 122 . 1 1 15 15 LEU CB C 13 40.654 0 . . . . . . A 1052 LEU CB . 34188 1 123 . 1 1 15 15 LEU N N 15 121.418 0.054 . . . . . . A 1052 LEU N . 34188 1 124 . 1 1 16 16 ASP H H 1 8.269 0.002 . . . . . . A 1053 ASP H . 34188 1 125 . 1 1 16 16 ASP HA H 1 4.281 0 . . . . . . A 1053 ASP HA . 34188 1 126 . 1 1 16 16 ASP HB2 H 1 2.793 0 . . . . . . A 1053 ASP HB2 . 34188 1 127 . 1 1 16 16 ASP HB3 H 1 2.793 0 . . . . . . A 1053 ASP HB3 . 34188 1 128 . 1 1 16 16 ASP CA C 13 58.066 0.009 . . . . . . A 1053 ASP CA . 34188 1 129 . 1 1 16 16 ASP CB C 13 41.166 0.026 . . . . . . A 1053 ASP CB . 34188 1 130 . 1 1 16 16 ASP N N 15 120.044 0.026 . . . . . . A 1053 ASP N . 34188 1 131 . 1 1 17 17 SER H H 1 8.004 0.008 . . . . . . A 1054 SER H . 34188 1 132 . 1 1 17 17 SER HA H 1 4.173 0.013 . . . . . . A 1054 SER HA . 34188 1 133 . 1 1 17 17 SER HB2 H 1 3.973 0.012 . . . . . . A 1054 SER HB2 . 34188 1 134 . 1 1 17 17 SER HB3 H 1 3.944 0.013 . . . . . . A 1054 SER HB3 . 34188 1 135 . 1 1 17 17 SER CA C 13 61.6 0.067 . . . . . . A 1054 SER CA . 34188 1 136 . 1 1 17 17 SER CB C 13 63 0.078 . . . . . . A 1054 SER CB . 34188 1 137 . 1 1 17 17 SER N N 15 114.611 0.044 . . . . . . A 1054 SER N . 34188 1 138 . 1 1 18 18 LEU H H 1 8.145 0.008 . . . . . . A 1055 LEU H . 34188 1 139 . 1 1 18 18 LEU HA H 1 4.17 0.008 . . . . . . A 1055 LEU HA . 34188 1 140 . 1 1 18 18 LEU HB2 H 1 1.73 0.011 . . . . . . A 1055 LEU HB2 . 34188 1 141 . 1 1 18 18 LEU HB3 H 1 1.785 0.01 . . . . . . A 1055 LEU HB3 . 34188 1 142 . 1 1 18 18 LEU HD11 H 1 0.882 0.003 . . . . . . A 1055 LEU HD11 . 34188 1 143 . 1 1 18 18 LEU HD12 H 1 0.882 0.003 . . . . . . A 1055 LEU HD12 . 34188 1 144 . 1 1 18 18 LEU HD13 H 1 0.882 0.003 . . . . . . A 1055 LEU HD13 . 34188 1 145 . 1 1 18 18 LEU HD21 H 1 0.882 0.003 . . . . . . A 1055 LEU HD21 . 34188 1 146 . 1 1 18 18 LEU HD22 H 1 0.882 0.003 . . . . . . A 1055 LEU HD22 . 34188 1 147 . 1 1 18 18 LEU HD23 H 1 0.882 0.003 . . . . . . A 1055 LEU HD23 . 34188 1 148 . 1 1 18 18 LEU CA C 13 57.926 0.066 . . . . . . A 1055 LEU CA . 34188 1 149 . 1 1 18 18 LEU CB C 13 42.457 0.007 . . . . . . A 1055 LEU CB . 34188 1 150 . 1 1 18 18 LEU N N 15 114.602 0 . . . . . . A 1055 LEU N . 34188 1 151 . 1 1 19 19 LEU H H 1 8.738 0.003 . . . . . . A 1056 LEU H . 34188 1 152 . 1 1 19 19 LEU HA H 1 4.053 0 . . . . . . A 1056 LEU HA . 34188 1 153 . 1 1 19 19 LEU HB2 H 1 1.882 0 . . . . . . A 1056 LEU HB2 . 34188 1 154 . 1 1 19 19 LEU HB3 H 1 1.882 0 . . . . . . A 1056 LEU HB3 . 34188 1 155 . 1 1 19 19 LEU HD11 H 1 0.83 0 . . . . . . A 1056 LEU HD11 . 34188 1 156 . 1 1 19 19 LEU HD12 H 1 0.83 0 . . . . . . A 1056 LEU HD12 . 34188 1 157 . 1 1 19 19 LEU HD13 H 1 0.83 0 . . . . . . A 1056 LEU HD13 . 34188 1 158 . 1 1 19 19 LEU HD21 H 1 0.83 0 . . . . . . A 1056 LEU HD21 . 34188 1 159 . 1 1 19 19 LEU HD22 H 1 0.83 0 . . . . . . A 1056 LEU HD22 . 34188 1 160 . 1 1 19 19 LEU HD23 H 1 0.83 0 . . . . . . A 1056 LEU HD23 . 34188 1 161 . 1 1 19 19 LEU CA C 13 57.987 0 . . . . . . A 1056 LEU CA . 34188 1 162 . 1 1 19 19 LEU CB C 13 41.068 0 . . . . . . A 1056 LEU CB . 34188 1 163 . 1 1 19 19 LEU N N 15 120.504 0.018 . . . . . . A 1056 LEU N . 34188 1 164 . 1 1 20 20 SER H H 1 8.037 0.008 . . . . . . A 1057 SER H . 34188 1 165 . 1 1 20 20 SER HA H 1 4.348 0.005 . . . . . . A 1057 SER HA . 34188 1 166 . 1 1 20 20 SER HB2 H 1 4.016 0.016 . . . . . . A 1057 SER HB2 . 34188 1 167 . 1 1 20 20 SER HB3 H 1 3.977 0.004 . . . . . . A 1057 SER HB3 . 34188 1 168 . 1 1 20 20 SER CA C 13 60.869 0.061 . . . . . . A 1057 SER CA . 34188 1 169 . 1 1 20 20 SER CB C 13 63.494 0.01 . . . . . . A 1057 SER CB . 34188 1 170 . 1 1 20 20 SER N N 15 113.902 0.05 . . . . . . A 1057 SER N . 34188 1 171 . 1 1 21 21 SER H H 1 7.604 0.008 . . . . . . A 1058 SER H . 34188 1 172 . 1 1 21 21 SER HA H 1 4.647 0.009 . . . . . . A 1058 SER HA . 34188 1 173 . 1 1 21 21 SER HB2 H 1 4.043 0.006 . . . . . . A 1058 SER HB2 . 34188 1 174 . 1 1 21 21 SER HB3 H 1 3.941 0.004 . . . . . . A 1058 SER HB3 . 34188 1 175 . 1 1 21 21 SER CA C 13 58.469 0.05 . . . . . . A 1058 SER CA . 34188 1 176 . 1 1 21 21 SER CB C 13 64.227 0.009 . . . . . . A 1058 SER CB . 34188 1 177 . 1 1 21 21 SER N N 15 115.18 0.049 . . . . . . A 1058 SER N . 34188 1 178 . 1 1 22 22 THR H H 1 7.525 0.006 . . . . . . A 1059 THR H . 34188 1 179 . 1 1 22 22 THR HA H 1 4.304 0.009 . . . . . . A 1059 THR HA . 34188 1 180 . 1 1 22 22 THR HB H 1 4.139 0.006 . . . . . . A 1059 THR HB . 34188 1 181 . 1 1 22 22 THR HG1 H 1 6.763 0 . . . . . . A 1059 THR HG1 . 34188 1 182 . 1 1 22 22 THR HG21 H 1 1.318 0.006 . . . . . . A 1059 THR HG21 . 34188 1 183 . 1 1 22 22 THR HG22 H 1 1.318 0.006 . . . . . . A 1059 THR HG22 . 34188 1 184 . 1 1 22 22 THR HG23 H 1 1.318 0.006 . . . . . . A 1059 THR HG23 . 34188 1 185 . 1 1 22 22 THR CA C 13 63.173 0.052 . . . . . . A 1059 THR CA . 34188 1 186 . 1 1 22 22 THR CB C 13 69.834 0.039 . . . . . . A 1059 THR CB . 34188 1 187 . 1 1 22 22 THR CG2 C 13 21.247 0.094 . . . . . . A 1059 THR CG2 . 34188 1 188 . 1 1 22 22 THR N N 15 119.747 0.058 . . . . . . A 1059 THR N . 34188 1 189 . 1 1 23 23 ASP H H 1 8.584 0.012 . . . . . . A 1060 ASP H . 34188 1 190 . 1 1 23 23 ASP HA H 1 4.446 0.002 . . . . . . A 1060 ASP HA . 34188 1 191 . 1 1 23 23 ASP HB2 H 1 2.75 0.013 . . . . . . A 1060 ASP HB2 . 34188 1 192 . 1 1 23 23 ASP HB3 H 1 2.732 0.016 . . . . . . A 1060 ASP HB3 . 34188 1 193 . 1 1 23 23 ASP CA C 13 55.277 0.057 . . . . . . A 1060 ASP CA . 34188 1 194 . 1 1 23 23 ASP CB C 13 42.399 0.033 . . . . . . A 1060 ASP CB . 34188 1 195 . 1 1 23 23 ASP N N 15 126.147 0.089 . . . . . . A 1060 ASP N . 34188 1 196 . 1 1 24 24 GLU H H 1 8.772 0.006 . . . . . . A 1061 GLU H . 34188 1 197 . 1 1 24 24 GLU HA H 1 4.045 0 . . . . . . A 1061 GLU HA . 34188 1 198 . 1 1 24 24 GLU HB3 H 1 2.092 0.002 . . . . . . A 1061 GLU HB3 . 34188 1 199 . 1 1 24 24 GLU HG2 H 1 2.345 0.004 . . . . . . A 1061 GLU HG2 . 34188 1 200 . 1 1 24 24 GLU HG3 H 1 2.345 0.004 . . . . . . A 1061 GLU HG3 . 34188 1 201 . 1 1 24 24 GLU CA C 13 59.245 0 . . . . . . A 1061 GLU CA . 34188 1 202 . 1 1 24 24 GLU CB C 13 29.71 0 . . . . . . A 1061 GLU CB . 34188 1 203 . 1 1 24 24 GLU N N 15 125.416 0.034 . . . . . . A 1061 GLU N . 34188 1 204 . 1 1 25 25 MET H H 1 8.598 0.003 . . . . . . A 1062 MET H . 34188 1 205 . 1 1 25 25 MET HA H 1 4.36 0.012 . . . . . . A 1062 MET HA . 34188 1 206 . 1 1 25 25 MET HB2 H 1 2.205 0.003 . . . . . . A 1062 MET HB2 . 34188 1 207 . 1 1 25 25 MET HB3 H 1 2.114 0.021 . . . . . . A 1062 MET HB3 . 34188 1 208 . 1 1 25 25 MET HG2 H 1 2.723 0.006 . . . . . . A 1062 MET HG2 . 34188 1 209 . 1 1 25 25 MET HG3 H 1 2.602 0.015 . . . . . . A 1062 MET HG3 . 34188 1 210 . 1 1 25 25 MET CA C 13 57.986 0 . . . . . . A 1062 MET CA . 34188 1 211 . 1 1 25 25 MET CB C 13 31.796 0.013 . . . . . . A 1062 MET CB . 34188 1 212 . 1 1 25 25 MET CG C 13 32.49 0.021 . . . . . . A 1062 MET CG . 34188 1 213 . 1 1 25 25 MET N N 15 119.282 0.037 . . . . . . A 1062 MET N . 34188 1 214 . 1 1 26 26 GLU H H 1 8.01 0.005 . . . . . . A 1063 GLU H . 34188 1 215 . 1 1 26 26 GLU HA H 1 4.218 0 . . . . . . A 1063 GLU HA . 34188 1 216 . 1 1 26 26 GLU HB2 H 1 2.183 0 . . . . . . A 1063 GLU HB2 . 34188 1 217 . 1 1 26 26 GLU HB3 H 1 2.183 0 . . . . . . A 1063 GLU HB3 . 34188 1 218 . 1 1 26 26 GLU HG2 H 1 2.431 0 . . . . . . A 1063 GLU HG2 . 34188 1 219 . 1 1 26 26 GLU HG3 H 1 2.431 0 . . . . . . A 1063 GLU HG3 . 34188 1 220 . 1 1 26 26 GLU CA C 13 58.352 0 . . . . . . A 1063 GLU CA . 34188 1 221 . 1 1 26 26 GLU CB C 13 28.975 0 . . . . . . A 1063 GLU CB . 34188 1 222 . 1 1 26 26 GLU N N 15 120.663 0.048 . . . . . . A 1063 GLU N . 34188 1 223 . 1 1 27 27 LEU H H 1 7.818 0.002 . . . . . . A 1064 LEU H . 34188 1 224 . 1 1 27 27 LEU HA H 1 4.239 0 . . . . . . A 1064 LEU HA . 34188 1 225 . 1 1 27 27 LEU HB2 H 1 1.748 0 . . . . . . A 1064 LEU HB2 . 34188 1 226 . 1 1 27 27 LEU HB3 H 1 1.748 0 . . . . . . A 1064 LEU HB3 . 34188 1 227 . 1 1 27 27 LEU HG H 1 1.575 0 . . . . . . A 1064 LEU HG . 34188 1 228 . 1 1 27 27 LEU HD11 H 1 0.933 0 . . . . . . A 1064 LEU HD11 . 34188 1 229 . 1 1 27 27 LEU HD12 H 1 0.933 0 . . . . . . A 1064 LEU HD12 . 34188 1 230 . 1 1 27 27 LEU HD13 H 1 0.933 0 . . . . . . A 1064 LEU HD13 . 34188 1 231 . 1 1 27 27 LEU HD21 H 1 0.933 0 . . . . . . A 1064 LEU HD21 . 34188 1 232 . 1 1 27 27 LEU HD22 H 1 0.933 0 . . . . . . A 1064 LEU HD22 . 34188 1 233 . 1 1 27 27 LEU HD23 H 1 0.933 0 . . . . . . A 1064 LEU HD23 . 34188 1 234 . 1 1 27 27 LEU N N 15 119.108 0.023 . . . . . . A 1064 LEU N . 34188 1 235 . 1 1 28 28 ALA H H 1 8.083 0.01 . . . . . . A 1065 ALA H . 34188 1 236 . 1 1 28 28 ALA HA H 1 4.215 0.008 . . . . . . A 1065 ALA HA . 34188 1 237 . 1 1 28 28 ALA HB1 H 1 1.558 0.008 . . . . . . A 1065 ALA HB1 . 34188 1 238 . 1 1 28 28 ALA HB2 H 1 1.558 0.008 . . . . . . A 1065 ALA HB2 . 34188 1 239 . 1 1 28 28 ALA HB3 H 1 1.558 0.008 . . . . . . A 1065 ALA HB3 . 34188 1 240 . 1 1 28 28 ALA CA C 13 55.619 0.055 . . . . . . A 1065 ALA CA . 34188 1 241 . 1 1 28 28 ALA CB C 13 18.193 0.045 . . . . . . A 1065 ALA CB . 34188 1 242 . 1 1 28 28 ALA N N 15 121.892 0.047 . . . . . . A 1065 ALA N . 34188 1 243 . 1 1 29 29 GLU H H 1 7.924 0.018 . . . . . . A 1066 GLU H . 34188 1 244 . 1 1 29 29 GLU HA H 1 4.139 0 . . . . . . A 1066 GLU HA . 34188 1 245 . 1 1 29 29 GLU HB2 H 1 2.145 0 . . . . . . A 1066 GLU HB2 . 34188 1 246 . 1 1 29 29 GLU HB3 H 1 2.145 0 . . . . . . A 1066 GLU HB3 . 34188 1 247 . 1 1 29 29 GLU HG2 H 1 2.386 0 . . . . . . A 1066 GLU HG2 . 34188 1 248 . 1 1 29 29 GLU HG3 H 1 2.386 0 . . . . . . A 1066 GLU HG3 . 34188 1 249 . 1 1 29 29 GLU CA C 13 59.295 0.02 . . . . . . A 1066 GLU CA . 34188 1 250 . 1 1 29 29 GLU CB C 13 29.231 0.072 . . . . . . A 1066 GLU CB . 34188 1 251 . 1 1 29 29 GLU N N 15 117.204 0.066 . . . . . . A 1066 GLU N . 34188 1 252 . 1 1 30 30 ILE H H 1 7.714 0.006 . . . . . . A 1067 ILE H . 34188 1 253 . 1 1 30 30 ILE HA H 1 3.645 0.006 . . . . . . A 1067 ILE HA . 34188 1 254 . 1 1 30 30 ILE HB H 1 1.744 0.009 . . . . . . A 1067 ILE HB . 34188 1 255 . 1 1 30 30 ILE HG21 H 1 0.785 0.007 . . . . . . A 1067 ILE HG21 . 34188 1 256 . 1 1 30 30 ILE HG22 H 1 0.785 0.007 . . . . . . A 1067 ILE HG22 . 34188 1 257 . 1 1 30 30 ILE HG23 H 1 0.785 0.007 . . . . . . A 1067 ILE HG23 . 34188 1 258 . 1 1 30 30 ILE HD11 H 1 0.868 0.008 . . . . . . A 1067 ILE HD11 . 34188 1 259 . 1 1 30 30 ILE HD12 H 1 0.868 0.008 . . . . . . A 1067 ILE HD12 . 34188 1 260 . 1 1 30 30 ILE HD13 H 1 0.868 0.008 . . . . . . A 1067 ILE HD13 . 34188 1 261 . 1 1 30 30 ILE CA C 13 65.363 0.065 . . . . . . A 1067 ILE CA . 34188 1 262 . 1 1 30 30 ILE CB C 13 37.302 0.012 . . . . . . A 1067 ILE CB . 34188 1 263 . 1 1 30 30 ILE CG2 C 13 18.129 0.083 . . . . . . A 1067 ILE CG2 . 34188 1 264 . 1 1 30 30 ILE CD1 C 13 12.878 0.019 . . . . . . A 1067 ILE CD1 . 34188 1 265 . 1 1 30 30 ILE N N 15 123.422 0.045 . . . . . . A 1067 ILE N . 34188 1 266 . 1 1 31 31 ASP H H 1 8.731 0.004 . . . . . . A 1068 ASP H . 34188 1 267 . 1 1 31 31 ASP HA H 1 4.246 0.005 . . . . . . A 1068 ASP HA . 34188 1 268 . 1 1 31 31 ASP HB2 H 1 2.203 0.006 . . . . . . A 1068 ASP HB2 . 34188 1 269 . 1 1 31 31 ASP HB3 H 1 2.404 0.003 . . . . . . A 1068 ASP HB3 . 34188 1 270 . 1 1 31 31 ASP CA C 13 57.721 0 . . . . . . A 1068 ASP CA . 34188 1 271 . 1 1 31 31 ASP CB C 13 40.019 0.03 . . . . . . A 1068 ASP CB . 34188 1 272 . 1 1 31 31 ASP N N 15 120.98 0.057 . . . . . . A 1068 ASP N . 34188 1 273 . 1 1 32 32 ARG H H 1 7.946 0.005 . . . . . . A 1069 ARG H . 34188 1 274 . 1 1 32 32 ARG HA H 1 4.115 0.009 . . . . . . A 1069 ARG HA . 34188 1 275 . 1 1 32 32 ARG HB2 H 1 1.884 0.013 . . . . . . A 1069 ARG HB2 . 34188 1 276 . 1 1 32 32 ARG HB3 H 1 1.889 0.002 . . . . . . A 1069 ARG HB3 . 34188 1 277 . 1 1 32 32 ARG HG2 H 1 1.848 0.002 . . . . . . A 1069 ARG HG2 . 34188 1 278 . 1 1 32 32 ARG HG3 H 1 1.572 0.006 . . . . . . A 1069 ARG HG3 . 34188 1 279 . 1 1 32 32 ARG HD2 H 1 3.239 0.01 . . . . . . A 1069 ARG HD2 . 34188 1 280 . 1 1 32 32 ARG HD3 H 1 3.21 0.02 . . . . . . A 1069 ARG HD3 . 34188 1 281 . 1 1 32 32 ARG CA C 13 59.271 0.01 . . . . . . A 1069 ARG CA . 34188 1 282 . 1 1 32 32 ARG CB C 13 30.348 0.016 . . . . . . A 1069 ARG CB . 34188 1 283 . 1 1 32 32 ARG CG C 13 27.792 0.019 . . . . . . A 1069 ARG CG . 34188 1 284 . 1 1 32 32 ARG CD C 13 43.482 0.021 . . . . . . A 1069 ARG CD . 34188 1 285 . 1 1 32 32 ARG N N 15 118.763 0.037 . . . . . . A 1069 ARG N . 34188 1 286 . 1 1 33 33 ALA H H 1 8.004 0.009 . . . . . . A 1070 ALA H . 34188 1 287 . 1 1 33 33 ALA HA H 1 4.137 0.009 . . . . . . A 1070 ALA HA . 34188 1 288 . 1 1 33 33 ALA HB1 H 1 1.552 0.005 . . . . . . A 1070 ALA HB1 . 34188 1 289 . 1 1 33 33 ALA HB2 H 1 1.552 0.005 . . . . . . A 1070 ALA HB2 . 34188 1 290 . 1 1 33 33 ALA HB3 H 1 1.552 0.005 . . . . . . A 1070 ALA HB3 . 34188 1 291 . 1 1 33 33 ALA CA C 13 54.882 0.009 . . . . . . A 1070 ALA CA . 34188 1 292 . 1 1 33 33 ALA CB C 13 18.658 0.026 . . . . . . A 1070 ALA CB . 34188 1 293 . 1 1 33 33 ALA N N 15 124.333 0.052 . . . . . . A 1070 ALA N . 34188 1 294 . 1 1 34 34 LEU H H 1 7.969 0.01 . . . . . . A 1071 LEU H . 34188 1 295 . 1 1 34 34 LEU HA H 1 4.283 0.016 . . . . . . A 1071 LEU HA . 34188 1 296 . 1 1 34 34 LEU HB2 H 1 1.861 0.011 . . . . . . A 1071 LEU HB2 . 34188 1 297 . 1 1 34 34 LEU HB3 H 1 1.592 0.013 . . . . . . A 1071 LEU HB3 . 34188 1 298 . 1 1 34 34 LEU HG H 1 1.581 0 . . . . . . A 1071 LEU HG . 34188 1 299 . 1 1 34 34 LEU HD11 H 1 0.795 0.012 . . . . . . A 1071 LEU HD11 . 34188 1 300 . 1 1 34 34 LEU HD12 H 1 0.795 0.012 . . . . . . A 1071 LEU HD12 . 34188 1 301 . 1 1 34 34 LEU HD13 H 1 0.795 0.012 . . . . . . A 1071 LEU HD13 . 34188 1 302 . 1 1 34 34 LEU HD21 H 1 0.782 0.003 . . . . . . A 1071 LEU HD21 . 34188 1 303 . 1 1 34 34 LEU HD22 H 1 0.782 0.003 . . . . . . A 1071 LEU HD22 . 34188 1 304 . 1 1 34 34 LEU HD23 H 1 0.782 0.003 . . . . . . A 1071 LEU HD23 . 34188 1 305 . 1 1 34 34 LEU CA C 13 54.914 0.028 . . . . . . A 1071 LEU CA . 34188 1 306 . 1 1 34 34 LEU CB C 13 43.24 0.083 . . . . . . A 1071 LEU CB . 34188 1 307 . 1 1 34 34 LEU CD2 C 13 22.958 0.006 . . . . . . A 1071 LEU CD2 . 34188 1 308 . 1 1 34 34 LEU N N 15 115.909 0.102 . . . . . . A 1071 LEU N . 34188 1 309 . 1 1 35 35 GLY H H 1 7.85 0.002 . . . . . . A 1072 GLY H . 34188 1 310 . 1 1 35 35 GLY HA2 H 1 4.05 0 . . . . . . A 1072 GLY HA2 . 34188 1 311 . 1 1 35 35 GLY HA3 H 1 4.05 0 . . . . . . A 1072 GLY HA3 . 34188 1 312 . 1 1 35 35 GLY CA C 13 46.022 0.038 . . . . . . A 1072 GLY CA . 34188 1 313 . 1 1 35 35 GLY N N 15 108.341 0.041 . . . . . . A 1072 GLY N . 34188 1 314 . 1 1 36 36 ILE H H 1 8.142 0.006 . . . . . . A 1073 ILE H . 34188 1 315 . 1 1 36 36 ILE HA H 1 3.765 0.008 . . . . . . A 1073 ILE HA . 34188 1 316 . 1 1 36 36 ILE HB H 1 1.771 0.011 . . . . . . A 1073 ILE HB . 34188 1 317 . 1 1 36 36 ILE HG12 H 1 1.565 0.01 . . . . . . A 1073 ILE HG12 . 34188 1 318 . 1 1 36 36 ILE HG13 H 1 1.266 0.006 . . . . . . A 1073 ILE HG13 . 34188 1 319 . 1 1 36 36 ILE HG21 H 1 0.77 0.008 . . . . . . A 1073 ILE HG21 . 34188 1 320 . 1 1 36 36 ILE HG22 H 1 0.77 0.008 . . . . . . A 1073 ILE HG22 . 34188 1 321 . 1 1 36 36 ILE HG23 H 1 0.77 0.008 . . . . . . A 1073 ILE HG23 . 34188 1 322 . 1 1 36 36 ILE HD11 H 1 0.974 0.013 . . . . . . A 1073 ILE HD11 . 34188 1 323 . 1 1 36 36 ILE HD12 H 1 0.974 0.013 . . . . . . A 1073 ILE HD12 . 34188 1 324 . 1 1 36 36 ILE HD13 H 1 0.974 0.013 . . . . . . A 1073 ILE HD13 . 34188 1 325 . 1 1 36 36 ILE CA C 13 63.087 0.075 . . . . . . A 1073 ILE CA . 34188 1 326 . 1 1 36 36 ILE CB C 13 37.885 0.03 . . . . . . A 1073 ILE CB . 34188 1 327 . 1 1 36 36 ILE CG1 C 13 28.091 0.048 . . . . . . A 1073 ILE CG1 . 34188 1 328 . 1 1 36 36 ILE CG2 C 13 17.584 0.091 . . . . . . A 1073 ILE CG2 . 34188 1 329 . 1 1 36 36 ILE CD1 C 13 13.633 0.048 . . . . . . A 1073 ILE CD1 . 34188 1 330 . 1 1 36 36 ILE N N 15 119.331 0.04 . . . . . . A 1073 ILE N . 34188 1 331 . 1 1 37 37 ASP H H 1 7.765 0 . . . . . . A 1074 ASP H . 34188 1 332 . 1 1 37 37 ASP HA H 1 3.808 0.006 . . . . . . A 1074 ASP HA . 34188 1 333 . 1 1 37 37 ASP HB2 H 1 2.496 0.004 . . . . . . A 1074 ASP HB2 . 34188 1 334 . 1 1 37 37 ASP HB3 H 1 2.316 0.003 . . . . . . A 1074 ASP HB3 . 34188 1 335 . 1 1 37 37 ASP CA C 13 55.009 0.016 . . . . . . A 1074 ASP CA . 34188 1 336 . 1 1 37 37 ASP CB C 13 39.491 0.078 . . . . . . A 1074 ASP CB . 34188 1 337 . 1 1 37 37 ASP N N 15 119.153 0 . . . . . . A 1074 ASP N . 34188 1 338 . 1 1 38 38 LYS H H 1 7.447 0.009 . . . . . . A 1075 LYS H . 34188 1 339 . 1 1 38 38 LYS HA H 1 4.218 0 . . . . . . A 1075 LYS HA . 34188 1 340 . 1 1 38 38 LYS HB2 H 1 1.853 0.004 . . . . . . A 1075 LYS HB2 . 34188 1 341 . 1 1 38 38 LYS HB3 H 1 1.683 0.004 . . . . . . A 1075 LYS HB3 . 34188 1 342 . 1 1 38 38 LYS HG2 H 1 1.374 0.011 . . . . . . A 1075 LYS HG2 . 34188 1 343 . 1 1 38 38 LYS HG3 H 1 1.308 0.016 . . . . . . A 1075 LYS HG3 . 34188 1 344 . 1 1 38 38 LYS HD2 H 1 1.606 0.011 . . . . . . A 1075 LYS HD2 . 34188 1 345 . 1 1 38 38 LYS HE2 H 1 2.957 0.003 . . . . . . A 1075 LYS HE2 . 34188 1 346 . 1 1 38 38 LYS HE3 H 1 2.957 0.003 . . . . . . A 1075 LYS HE3 . 34188 1 347 . 1 1 38 38 LYS CA C 13 56.54 0 . . . . . . A 1075 LYS CA . 34188 1 348 . 1 1 38 38 LYS CB C 13 32.491 0.013 . . . . . . A 1075 LYS CB . 34188 1 349 . 1 1 38 38 LYS CG C 13 24.736 0.032 . . . . . . A 1075 LYS CG . 34188 1 350 . 1 1 38 38 LYS CE C 13 42.182 0.018 . . . . . . A 1075 LYS CE . 34188 1 351 . 1 1 38 38 LYS N N 15 119.534 0.05 . . . . . . A 1075 LYS N . 34188 1 352 . 1 1 39 39 LEU H H 1 7.741 0.007 . . . . . . A 1076 LEU H . 34188 1 353 . 1 1 39 39 LEU HA H 1 4.211 0.007 . . . . . . A 1076 LEU HA . 34188 1 354 . 1 1 39 39 LEU HB2 H 1 1.71 0.021 . . . . . . A 1076 LEU HB2 . 34188 1 355 . 1 1 39 39 LEU HB3 H 1 1.547 0.003 . . . . . . A 1076 LEU HB3 . 34188 1 356 . 1 1 39 39 LEU HG H 1 1.562 0 . . . . . . A 1076 LEU HG . 34188 1 357 . 1 1 39 39 LEU HD11 H 1 0.861 0.021 . . . . . . A 1076 LEU HD11 . 34188 1 358 . 1 1 39 39 LEU HD12 H 1 0.861 0.021 . . . . . . A 1076 LEU HD12 . 34188 1 359 . 1 1 39 39 LEU HD13 H 1 0.861 0.021 . . . . . . A 1076 LEU HD13 . 34188 1 360 . 1 1 39 39 LEU HD21 H 1 0.869 0.02 . . . . . . A 1076 LEU HD21 . 34188 1 361 . 1 1 39 39 LEU HD22 H 1 0.869 0.02 . . . . . . A 1076 LEU HD22 . 34188 1 362 . 1 1 39 39 LEU HD23 H 1 0.869 0.02 . . . . . . A 1076 LEU HD23 . 34188 1 363 . 1 1 39 39 LEU CA C 13 56.36 0.051 . . . . . . A 1076 LEU CA . 34188 1 364 . 1 1 39 39 LEU CB C 13 42.195 0.024 . . . . . . A 1076 LEU CB . 34188 1 365 . 1 1 39 39 LEU N N 15 121.542 0.049 . . . . . . A 1076 LEU N . 34188 1 366 . 1 1 40 40 VAL H H 1 7.846 0.005 . . . . . . A 1077 VAL H . 34188 1 367 . 1 1 40 40 VAL HA H 1 4.039 0.007 . . . . . . A 1077 VAL HA . 34188 1 368 . 1 1 40 40 VAL HB H 1 2.07 0.005 . . . . . . A 1077 VAL HB . 34188 1 369 . 1 1 40 40 VAL HG11 H 1 0.882 0.008 . . . . . . A 1077 VAL HG11 . 34188 1 370 . 1 1 40 40 VAL HG12 H 1 0.882 0.008 . . . . . . A 1077 VAL HG12 . 34188 1 371 . 1 1 40 40 VAL HG13 H 1 0.882 0.008 . . . . . . A 1077 VAL HG13 . 34188 1 372 . 1 1 40 40 VAL HG21 H 1 0.891 0.003 . . . . . . A 1077 VAL HG21 . 34188 1 373 . 1 1 40 40 VAL HG22 H 1 0.891 0.003 . . . . . . A 1077 VAL HG22 . 34188 1 374 . 1 1 40 40 VAL HG23 H 1 0.891 0.003 . . . . . . A 1077 VAL HG23 . 34188 1 375 . 1 1 40 40 VAL CA C 13 62.857 0.028 . . . . . . A 1077 VAL CA . 34188 1 376 . 1 1 40 40 VAL CB C 13 32.475 0.018 . . . . . . A 1077 VAL CB . 34188 1 377 . 1 1 40 40 VAL CG1 C 13 20.483 0.015 . . . . . . A 1077 VAL CG1 . 34188 1 378 . 1 1 40 40 VAL CG2 C 13 21.288 0.042 . . . . . . A 1077 VAL CG2 . 34188 1 379 . 1 1 40 40 VAL N N 15 117.977 0.063 . . . . . . A 1077 VAL N . 34188 1 380 . 1 1 41 41 SER H H 1 8.07 0.007 . . . . . . A 1078 SER H . 34188 1 381 . 1 1 41 41 SER HA H 1 4.399 0.022 . . . . . . A 1078 SER HA . 34188 1 382 . 1 1 41 41 SER HB2 H 1 3.906 0.012 . . . . . . A 1078 SER HB2 . 34188 1 383 . 1 1 41 41 SER HB3 H 1 3.877 0.002 . . . . . . A 1078 SER HB3 . 34188 1 384 . 1 1 41 41 SER HG H 1 4.785 0 . . . . . . A 1078 SER HG . 34188 1 385 . 1 1 41 41 SER CA C 13 58.883 0.008 . . . . . . A 1078 SER CA . 34188 1 386 . 1 1 41 41 SER CB C 13 63.858 0.095 . . . . . . A 1078 SER CB . 34188 1 387 . 1 1 41 41 SER N N 15 118.036 0.054 . . . . . . A 1078 SER N . 34188 1 388 . 1 1 42 42 GLN H H 1 8.266 0.006 . . . . . . A 1079 GLN H . 34188 1 389 . 1 1 42 42 GLN HA H 1 4.395 0 . . . . . . A 1079 GLN HA . 34188 1 390 . 1 1 42 42 GLN HB2 H 1 2.012 0 . . . . . . A 1079 GLN HB2 . 34188 1 391 . 1 1 42 42 GLN HB3 H 1 2.012 0 . . . . . . A 1079 GLN HB3 . 34188 1 392 . 1 1 42 42 GLN HG2 H 1 2.368 0 . . . . . . A 1079 GLN HG2 . 34188 1 393 . 1 1 42 42 GLN HG3 H 1 2.368 0 . . . . . . A 1079 GLN HG3 . 34188 1 394 . 1 1 42 42 GLN CA C 13 56.05 0 . . . . . . A 1079 GLN CA . 34188 1 395 . 1 1 42 42 GLN CB C 13 29.177 0 . . . . . . A 1079 GLN CB . 34188 1 396 . 1 1 42 42 GLN N N 15 122.265 0.046 . . . . . . A 1079 GLN N . 34188 1 397 . 1 1 43 43 GLN H H 1 8.344 0.004 . . . . . . A 1080 GLN H . 34188 1 398 . 1 1 43 43 GLN HA H 1 4.354 0 . . . . . . A 1080 GLN HA . 34188 1 399 . 1 1 43 43 GLN HB2 H 1 2.011 0 . . . . . . A 1080 GLN HB2 . 34188 1 400 . 1 1 43 43 GLN HB3 H 1 2.011 0 . . . . . . A 1080 GLN HB3 . 34188 1 401 . 1 1 43 43 GLN CA C 13 56.188 0 . . . . . . A 1080 GLN CA . 34188 1 402 . 1 1 43 43 GLN CB C 13 29.233 0 . . . . . . A 1080 GLN CB . 34188 1 403 . 1 1 43 43 GLN N N 15 121.497 0.061 . . . . . . A 1080 GLN N . 34188 1 404 . 1 1 44 44 GLY H H 1 8.43 0.004 . . . . . . A 1081 GLY H . 34188 1 405 . 1 1 44 44 GLY HA2 H 1 3.965 0.007 . . . . . . A 1081 GLY HA2 . 34188 1 406 . 1 1 44 44 GLY HA3 H 1 3.965 0.007 . . . . . . A 1081 GLY HA3 . 34188 1 407 . 1 1 44 44 GLY CA C 13 45.359 0 . . . . . . A 1081 GLY CA . 34188 1 408 . 1 1 44 44 GLY N N 15 111.04 0.021 . . . . . . A 1081 GLY N . 34188 1 409 . 1 1 45 45 GLY H H 1 7.974 0.004 . . . . . . A 1082 GLY H . 34188 1 410 . 1 1 45 45 GLY HA2 H 1 3.765 0.011 . . . . . . A 1082 GLY HA2 . 34188 1 411 . 1 1 45 45 GLY HA3 H 1 3.765 0.011 . . . . . . A 1082 GLY HA3 . 34188 1 412 . 1 1 45 45 GLY CA C 13 45.98 0.048 . . . . . . A 1082 GLY CA . 34188 1 413 . 1 1 45 45 GLY N N 15 115.697 0.054 . . . . . . A 1082 GLY N . 34188 1 414 . 2 2 1 1 GLY HA2 H 1 3.861 0.004 . . . . . . B 2060 GLY HA2 . 34188 1 415 . 2 2 1 1 GLY HA3 H 1 3.861 0.004 . . . . . . B 2060 GLY HA3 . 34188 1 416 . 2 2 1 1 GLY CA C 13 43.797 0.023 . . . . . . B 2060 GLY CA . 34188 1 417 . 2 2 2 2 SER HA H 1 4.585 0.006 . . . . . . B 2061 SER HA . 34188 1 418 . 2 2 2 2 SER HB2 H 1 3.855 0.002 . . . . . . B 2061 SER HB2 . 34188 1 419 . 2 2 2 2 SER HB3 H 1 3.855 0.002 . . . . . . B 2061 SER HB3 . 34188 1 420 . 2 2 2 2 SER CA C 13 58.387 0.026 . . . . . . B 2061 SER CA . 34188 1 421 . 2 2 2 2 SER CB C 13 64.249 0.037 . . . . . . B 2061 SER CB . 34188 1 422 . 2 2 3 3 ILE H H 1 8.522 0.004 . . . . . . B 2062 ILE H . 34188 1 423 . 2 2 3 3 ILE HA H 1 4.348 0.007 . . . . . . B 2062 ILE HA . 34188 1 424 . 2 2 3 3 ILE HB H 1 1.793 0.006 . . . . . . B 2062 ILE HB . 34188 1 425 . 2 2 3 3 ILE HG12 H 1 1.623 0.016 . . . . . . B 2062 ILE HG12 . 34188 1 426 . 2 2 3 3 ILE HG13 H 1 1.625 0.007 . . . . . . B 2062 ILE HG13 . 34188 1 427 . 2 2 3 3 ILE HG21 H 1 0.887 0.003 . . . . . . B 2062 ILE HG21 . 34188 1 428 . 2 2 3 3 ILE HG22 H 1 0.887 0.003 . . . . . . B 2062 ILE HG22 . 34188 1 429 . 2 2 3 3 ILE HG23 H 1 0.887 0.003 . . . . . . B 2062 ILE HG23 . 34188 1 430 . 2 2 3 3 ILE HD11 H 1 0.82 0.001 . . . . . . B 2062 ILE HD11 . 34188 1 431 . 2 2 3 3 ILE HD12 H 1 0.82 0.001 . . . . . . B 2062 ILE HD12 . 34188 1 432 . 2 2 3 3 ILE HD13 H 1 0.82 0.001 . . . . . . B 2062 ILE HD13 . 34188 1 433 . 2 2 3 3 ILE CA C 13 58.944 0.034 . . . . . . B 2062 ILE CA . 34188 1 434 . 2 2 3 3 ILE CB C 13 39.514 0.027 . . . . . . B 2062 ILE CB . 34188 1 435 . 2 2 3 3 ILE CG2 C 13 17.855 0.051 . . . . . . B 2062 ILE CG2 . 34188 1 436 . 2 2 3 3 ILE CD1 C 13 13.657 0.006 . . . . . . B 2062 ILE CD1 . 34188 1 437 . 2 2 3 3 ILE N N 15 124.375 0.054 . . . . . . B 2062 ILE N . 34188 1 438 . 2 2 4 4 PRO HA H 1 4.351 0.007 . . . . . . B 2063 PRO HA . 34188 1 439 . 2 2 4 4 PRO HB2 H 1 2.089 0.007 . . . . . . B 2063 PRO HB2 . 34188 1 440 . 2 2 4 4 PRO HB3 H 1 2.089 0.007 . . . . . . B 2063 PRO HB3 . 34188 1 441 . 2 2 4 4 PRO HD2 H 1 3.535 0.005 . . . . . . B 2063 PRO HD2 . 34188 1 442 . 2 2 4 4 PRO HD3 H 1 4.047 0.005 . . . . . . B 2063 PRO HD3 . 34188 1 443 . 2 2 4 4 PRO CD C 13 51.248 0.043 . . . . . . B 2063 PRO CD . 34188 1 444 . 2 2 5 5 PRO HA H 1 4.242 0.004 . . . . . . B 2064 PRO HA . 34188 1 445 . 2 2 5 5 PRO HB2 H 1 2.304 0.012 . . . . . . B 2064 PRO HB2 . 34188 1 446 . 2 2 5 5 PRO HB3 H 1 1.978 0.015 . . . . . . B 2064 PRO HB3 . 34188 1 447 . 2 2 5 5 PRO HG2 H 1 2.122 0 . . . . . . B 2064 PRO HG2 . 34188 1 448 . 2 2 5 5 PRO HG3 H 1 2.029 0.014 . . . . . . B 2064 PRO HG3 . 34188 1 449 . 2 2 5 5 PRO HD2 H 1 3.821 0.002 . . . . . . B 2064 PRO HD2 . 34188 1 450 . 2 2 5 5 PRO HD3 H 1 4.008 0.002 . . . . . . B 2064 PRO HD3 . 34188 1 451 . 2 2 5 5 PRO CA C 13 64.74 0.067 . . . . . . B 2064 PRO CA . 34188 1 452 . 2 2 5 5 PRO CB C 13 31.941 0.06 . . . . . . B 2064 PRO CB . 34188 1 453 . 2 2 5 5 PRO CG C 13 27.764 0.001 . . . . . . B 2064 PRO CG . 34188 1 454 . 2 2 5 5 PRO CD C 13 50.914 0.004 . . . . . . B 2064 PRO CD . 34188 1 455 . 2 2 6 6 ASN H H 1 8.631 0.012 . . . . . . B 2065 ASN H . 34188 1 456 . 2 2 6 6 ASN HA H 1 4.481 0.008 . . . . . . B 2065 ASN HA . 34188 1 457 . 2 2 6 6 ASN HB2 H 1 2.833 0.003 . . . . . . B 2065 ASN HB2 . 34188 1 458 . 2 2 6 6 ASN HB3 H 1 2.833 0.003 . . . . . . B 2065 ASN HB3 . 34188 1 459 . 2 2 6 6 ASN HD21 H 1 6.942 0.005 . . . . . . B 2065 ASN HD21 . 34188 1 460 . 2 2 6 6 ASN HD22 H 1 7.722 0.005 . . . . . . B 2065 ASN HD22 . 34188 1 461 . 2 2 6 6 ASN CA C 13 55.176 0.016 . . . . . . B 2065 ASN CA . 34188 1 462 . 2 2 6 6 ASN CB C 13 37.791 0.104 . . . . . . B 2065 ASN CB . 34188 1 463 . 2 2 6 6 ASN N N 15 115.961 0.025 . . . . . . B 2065 ASN N . 34188 1 464 . 2 2 6 6 ASN ND2 N 15 113.544 0.024 . . . . . . B 2065 ASN ND2 . 34188 1 465 . 2 2 7 7 ALA H H 1 7.657 0.01 . . . . . . B 2066 ALA H . 34188 1 466 . 2 2 7 7 ALA HA H 1 4.241 0.006 . . . . . . B 2066 ALA HA . 34188 1 467 . 2 2 7 7 ALA HB1 H 1 1.386 0.003 . . . . . . B 2066 ALA HB1 . 34188 1 468 . 2 2 7 7 ALA HB2 H 1 1.386 0.003 . . . . . . B 2066 ALA HB2 . 34188 1 469 . 2 2 7 7 ALA HB3 H 1 1.386 0.003 . . . . . . B 2066 ALA HB3 . 34188 1 470 . 2 2 7 7 ALA CA C 13 54.912 0.057 . . . . . . B 2066 ALA CA . 34188 1 471 . 2 2 7 7 ALA CB C 13 18.652 0.023 . . . . . . B 2066 ALA CB . 34188 1 472 . 2 2 7 7 ALA N N 15 123.058 0.028 . . . . . . B 2066 ALA N . 34188 1 473 . 2 2 8 8 LEU H H 1 7.565 0.004 . . . . . . B 2067 LEU H . 34188 1 474 . 2 2 8 8 LEU HA H 1 3.979 0 . . . . . . B 2067 LEU HA . 34188 1 475 . 2 2 8 8 LEU HB2 H 1 1.77 0 . . . . . . B 2067 LEU HB2 . 34188 1 476 . 2 2 8 8 LEU HB3 H 1 1.621 0 . . . . . . B 2067 LEU HB3 . 34188 1 477 . 2 2 8 8 LEU HG H 1 1.621 0 . . . . . . B 2067 LEU HG . 34188 1 478 . 2 2 8 8 LEU CB C 13 41.705 0 . . . . . . B 2067 LEU CB . 34188 1 479 . 2 2 8 8 LEU N N 15 117.977 0.026 . . . . . . B 2067 LEU N . 34188 1 480 . 2 2 9 9 GLN H H 1 8.261 0.004 . . . . . . B 2068 GLN H . 34188 1 481 . 2 2 9 9 GLN HA H 1 4.008 0.011 . . . . . . B 2068 GLN HA . 34188 1 482 . 2 2 9 9 GLN HB2 H 1 2.115 0 . . . . . . B 2068 GLN HB2 . 34188 1 483 . 2 2 9 9 GLN HB3 H 1 2.115 0 . . . . . . B 2068 GLN HB3 . 34188 1 484 . 2 2 9 9 GLN HG2 H 1 2.432 0 . . . . . . B 2068 GLN HG2 . 34188 1 485 . 2 2 9 9 GLN HG3 H 1 2.432 0 . . . . . . B 2068 GLN HG3 . 34188 1 486 . 2 2 9 9 GLN CA C 13 59.353 0.065 . . . . . . B 2068 GLN CA . 34188 1 487 . 2 2 9 9 GLN CB C 13 28.098 0.082 . . . . . . B 2068 GLN CB . 34188 1 488 . 2 2 9 9 GLN N N 15 117.551 0.031 . . . . . . B 2068 GLN N . 34188 1 489 . 2 2 10 10 ASP H H 1 8.29 0.009 . . . . . . B 2069 ASP H . 34188 1 490 . 2 2 10 10 ASP HA H 1 4.437 0.008 . . . . . . B 2069 ASP HA . 34188 1 491 . 2 2 10 10 ASP HB2 H 1 2.839 0.003 . . . . . . B 2069 ASP HB2 . 34188 1 492 . 2 2 10 10 ASP HB3 H 1 2.59 0.004 . . . . . . B 2069 ASP HB3 . 34188 1 493 . 2 2 10 10 ASP CA C 13 57.24 0.048 . . . . . . B 2069 ASP CA . 34188 1 494 . 2 2 10 10 ASP CB C 13 40.092 0.036 . . . . . . B 2069 ASP CB . 34188 1 495 . 2 2 10 10 ASP N N 15 120.469 0.027 . . . . . . B 2069 ASP N . 34188 1 496 . 2 2 11 11 LEU H H 1 8.517 0.007 . . . . . . B 2070 LEU H . 34188 1 497 . 2 2 11 11 LEU HA H 1 3.989 0.001 . . . . . . B 2070 LEU HA . 34188 1 498 . 2 2 11 11 LEU HB2 H 1 2.213 0.001 . . . . . . B 2070 LEU HB2 . 34188 1 499 . 2 2 11 11 LEU HB3 H 1 1.65 0.009 . . . . . . B 2070 LEU HB3 . 34188 1 500 . 2 2 11 11 LEU HG H 1 1.648 0 . . . . . . B 2070 LEU HG . 34188 1 501 . 2 2 11 11 LEU HD11 H 1 0.896 0.018 . . . . . . B 2070 LEU HD11 . 34188 1 502 . 2 2 11 11 LEU HD12 H 1 0.896 0.018 . . . . . . B 2070 LEU HD12 . 34188 1 503 . 2 2 11 11 LEU HD13 H 1 0.896 0.018 . . . . . . B 2070 LEU HD13 . 34188 1 504 . 2 2 11 11 LEU HD21 H 1 0.879 0 . . . . . . B 2070 LEU HD21 . 34188 1 505 . 2 2 11 11 LEU HD22 H 1 0.879 0 . . . . . . B 2070 LEU HD22 . 34188 1 506 . 2 2 11 11 LEU HD23 H 1 0.879 0 . . . . . . B 2070 LEU HD23 . 34188 1 507 . 2 2 11 11 LEU CB C 13 41.497 0 . . . . . . B 2070 LEU CB . 34188 1 508 . 2 2 11 11 LEU N N 15 123.862 0.019 . . . . . . B 2070 LEU N . 34188 1 509 . 2 2 12 12 LEU H H 1 8.417 0.007 . . . . . . B 2071 LEU H . 34188 1 510 . 2 2 12 12 LEU HA H 1 3.892 0.018 . . . . . . B 2071 LEU HA . 34188 1 511 . 2 2 12 12 LEU HB2 H 1 1.893 0.012 . . . . . . B 2071 LEU HB2 . 34188 1 512 . 2 2 12 12 LEU HB3 H 1 1.472 0.005 . . . . . . B 2071 LEU HB3 . 34188 1 513 . 2 2 12 12 LEU HG H 1 1.824 0.002 . . . . . . B 2071 LEU HG . 34188 1 514 . 2 2 12 12 LEU HD11 H 1 0.869 0.013 . . . . . . B 2071 LEU HD11 . 34188 1 515 . 2 2 12 12 LEU HD12 H 1 0.869 0.013 . . . . . . B 2071 LEU HD12 . 34188 1 516 . 2 2 12 12 LEU HD13 H 1 0.869 0.013 . . . . . . B 2071 LEU HD13 . 34188 1 517 . 2 2 12 12 LEU HD21 H 1 0.869 0.013 . . . . . . B 2071 LEU HD21 . 34188 1 518 . 2 2 12 12 LEU HD22 H 1 0.869 0.013 . . . . . . B 2071 LEU HD22 . 34188 1 519 . 2 2 12 12 LEU HD23 H 1 0.869 0.013 . . . . . . B 2071 LEU HD23 . 34188 1 520 . 2 2 12 12 LEU CA C 13 58.715 0 . . . . . . B 2071 LEU CA . 34188 1 521 . 2 2 12 12 LEU CB C 13 41.513 0.035 . . . . . . B 2071 LEU CB . 34188 1 522 . 2 2 12 12 LEU CG C 13 27.192 0.003 . . . . . . B 2071 LEU CG . 34188 1 523 . 2 2 12 12 LEU N N 15 119.077 0.043 . . . . . . B 2071 LEU N . 34188 1 524 . 2 2 13 13 ARG H H 1 8.057 0.009 . . . . . . B 2072 ARG H . 34188 1 525 . 2 2 13 13 ARG HA H 1 3.95 0.007 . . . . . . B 2072 ARG HA . 34188 1 526 . 2 2 13 13 ARG HB2 H 1 1.924 0.005 . . . . . . B 2072 ARG HB2 . 34188 1 527 . 2 2 13 13 ARG HB3 H 1 1.924 0.005 . . . . . . B 2072 ARG HB3 . 34188 1 528 . 2 2 13 13 ARG HG2 H 1 1.657 0 . . . . . . B 2072 ARG HG2 . 34188 1 529 . 2 2 13 13 ARG HG3 H 1 1.657 0 . . . . . . B 2072 ARG HG3 . 34188 1 530 . 2 2 13 13 ARG CA C 13 59.418 0.041 . . . . . . B 2072 ARG CA . 34188 1 531 . 2 2 13 13 ARG CB C 13 30.163 0 . . . . . . B 2072 ARG CB . 34188 1 532 . 2 2 13 13 ARG N N 15 116.957 0.012 . . . . . . B 2072 ARG N . 34188 1 533 . 2 2 14 14 THR H H 1 8.089 0.005 . . . . . . B 2073 THR H . 34188 1 534 . 2 2 14 14 THR HA H 1 3.936 0.006 . . . . . . B 2073 THR HA . 34188 1 535 . 2 2 14 14 THR HB H 1 4.155 0.008 . . . . . . B 2073 THR HB . 34188 1 536 . 2 2 14 14 THR HG21 H 1 1.248 0.005 . . . . . . B 2073 THR HG21 . 34188 1 537 . 2 2 14 14 THR HG22 H 1 1.248 0.005 . . . . . . B 2073 THR HG22 . 34188 1 538 . 2 2 14 14 THR HG23 H 1 1.248 0.005 . . . . . . B 2073 THR HG23 . 34188 1 539 . 2 2 14 14 THR CA C 13 66.928 0.048 . . . . . . B 2073 THR CA . 34188 1 540 . 2 2 14 14 THR CB C 13 68.623 0.074 . . . . . . B 2073 THR CB . 34188 1 541 . 2 2 14 14 THR CG2 C 13 23.43 0.001 . . . . . . B 2073 THR CG2 . 34188 1 542 . 2 2 14 14 THR N N 15 116.173 0.052 . . . . . . B 2073 THR N . 34188 1 543 . 2 2 15 15 LEU H H 1 8.611 0.004 . . . . . . B 2074 LEU H . 34188 1 544 . 2 2 15 15 LEU HA H 1 3.986 0.008 . . . . . . B 2074 LEU HA . 34188 1 545 . 2 2 15 15 LEU HB2 H 1 1.944 0.014 . . . . . . B 2074 LEU HB2 . 34188 1 546 . 2 2 15 15 LEU HB3 H 1 1.526 0.009 . . . . . . B 2074 LEU HB3 . 34188 1 547 . 2 2 15 15 LEU HD11 H 1 0.875 0.014 . . . . . . B 2074 LEU HD11 . 34188 1 548 . 2 2 15 15 LEU HD12 H 1 0.875 0.014 . . . . . . B 2074 LEU HD12 . 34188 1 549 . 2 2 15 15 LEU HD13 H 1 0.875 0.014 . . . . . . B 2074 LEU HD13 . 34188 1 550 . 2 2 15 15 LEU HD21 H 1 0.889 0.002 . . . . . . B 2074 LEU HD21 . 34188 1 551 . 2 2 15 15 LEU HD22 H 1 0.889 0.002 . . . . . . B 2074 LEU HD22 . 34188 1 552 . 2 2 15 15 LEU HD23 H 1 0.889 0.002 . . . . . . B 2074 LEU HD23 . 34188 1 553 . 2 2 15 15 LEU CA C 13 57.498 0.078 . . . . . . B 2074 LEU CA . 34188 1 554 . 2 2 15 15 LEU CB C 13 42.667 0.057 . . . . . . B 2074 LEU CB . 34188 1 555 . 2 2 15 15 LEU CD1 C 13 23.458 0 . . . . . . B 2074 LEU CD1 . 34188 1 556 . 2 2 15 15 LEU N N 15 122.59 0.034 . . . . . . B 2074 LEU N . 34188 1 557 . 2 2 16 16 ARG H H 1 7.47 0.01 . . . . . . B 2075 ARG H . 34188 1 558 . 2 2 16 16 ARG HA H 1 4.316 0.003 . . . . . . B 2075 ARG HA . 34188 1 559 . 2 2 16 16 ARG HB2 H 1 1.794 0.055 . . . . . . B 2075 ARG HB2 . 34188 1 560 . 2 2 16 16 ARG HB3 H 1 2.027 0.013 . . . . . . B 2075 ARG HB3 . 34188 1 561 . 2 2 16 16 ARG HG2 H 1 1.662 0 . . . . . . B 2075 ARG HG2 . 34188 1 562 . 2 2 16 16 ARG HG3 H 1 1.662 0 . . . . . . B 2075 ARG HG3 . 34188 1 563 . 2 2 16 16 ARG HD2 H 1 3.137 0 . . . . . . B 2075 ARG HD2 . 34188 1 564 . 2 2 16 16 ARG HD3 H 1 3.137 0 . . . . . . B 2075 ARG HD3 . 34188 1 565 . 2 2 16 16 ARG CA C 13 56.706 0.03 . . . . . . B 2075 ARG CA . 34188 1 566 . 2 2 16 16 ARG CB C 13 30.608 0.057 . . . . . . B 2075 ARG CB . 34188 1 567 . 2 2 16 16 ARG N N 15 116.068 0.12 . . . . . . B 2075 ARG N . 34188 1 568 . 2 2 17 17 SER H H 1 8.386 0.004 . . . . . . B 2076 SER H . 34188 1 569 . 2 2 17 17 SER HA H 1 4.23 0.023 . . . . . . B 2076 SER HA . 34188 1 570 . 2 2 17 17 SER HB2 H 1 3.903 0.019 . . . . . . B 2076 SER HB2 . 34188 1 571 . 2 2 17 17 SER HB3 H 1 3.776 0.004 . . . . . . B 2076 SER HB3 . 34188 1 572 . 2 2 17 17 SER CA C 13 59.246 0.029 . . . . . . B 2076 SER CA . 34188 1 573 . 2 2 17 17 SER CB C 13 63.406 0.005 . . . . . . B 2076 SER CB . 34188 1 574 . 2 2 17 17 SER N N 15 117.041 0.024 . . . . . . B 2076 SER N . 34188 1 575 . 2 2 18 18 PRO HA H 1 4.303 0.002 . . . . . . B 2077 PRO HA . 34188 1 576 . 2 2 18 18 PRO HB2 H 1 2.347 0 . . . . . . B 2077 PRO HB2 . 34188 1 577 . 2 2 18 18 PRO HB3 H 1 2.036 0 . . . . . . B 2077 PRO HB3 . 34188 1 578 . 2 2 18 18 PRO HG2 H 1 1.813 0 . . . . . . B 2077 PRO HG2 . 34188 1 579 . 2 2 18 18 PRO HG3 H 1 1.813 0 . . . . . . B 2077 PRO HG3 . 34188 1 580 . 2 2 18 18 PRO HD2 H 1 3.892 0 . . . . . . B 2077 PRO HD2 . 34188 1 581 . 2 2 18 18 PRO HD3 H 1 3.892 0 . . . . . . B 2077 PRO HD3 . 34188 1 582 . 2 2 18 18 PRO CA C 13 63.33 0 . . . . . . B 2077 PRO CA . 34188 1 583 . 2 2 18 18 PRO CB C 13 30.736 0 . . . . . . B 2077 PRO CB . 34188 1 584 . 2 2 19 19 SER H H 1 7.459 0.003 . . . . . . B 2078 SER H . 34188 1 585 . 2 2 19 19 SER HA H 1 4.774 0.013 . . . . . . B 2078 SER HA . 34188 1 586 . 2 2 19 19 SER HB2 H 1 4.112 0.016 . . . . . . B 2078 SER HB2 . 34188 1 587 . 2 2 19 19 SER HB3 H 1 4.014 0.004 . . . . . . B 2078 SER HB3 . 34188 1 588 . 2 2 19 19 SER CA C 13 57.889 0 . . . . . . B 2078 SER CA . 34188 1 589 . 2 2 19 19 SER CB C 13 62.936 0.011 . . . . . . B 2078 SER CB . 34188 1 590 . 2 2 19 19 SER N N 15 118.006 0.108 . . . . . . B 2078 SER N . 34188 1 591 . 2 2 20 20 SER H H 1 7.881 0.002 . . . . . . B 2079 SER H . 34188 1 592 . 2 2 20 20 SER HA H 1 4.879 0.007 . . . . . . B 2079 SER HA . 34188 1 593 . 2 2 20 20 SER HB2 H 1 4.22 0.008 . . . . . . B 2079 SER HB2 . 34188 1 594 . 2 2 20 20 SER HB3 H 1 4.14 0.005 . . . . . . B 2079 SER HB3 . 34188 1 595 . 2 2 20 20 SER CA C 13 57.241 0.051 . . . . . . B 2079 SER CA . 34188 1 596 . 2 2 20 20 SER CB C 13 63.286 0.007 . . . . . . B 2079 SER CB . 34188 1 597 . 2 2 20 20 SER N N 15 119.868 0.044 . . . . . . B 2079 SER N . 34188 1 598 . 2 2 21 21 PRO HA H 1 4.379 0.017 . . . . . . B 2080 PRO HA . 34188 1 599 . 2 2 21 21 PRO HB2 H 1 2.031 0 . . . . . . B 2080 PRO HB2 . 34188 1 600 . 2 2 21 21 PRO HB3 H 1 2.031 0 . . . . . . B 2080 PRO HB3 . 34188 1 601 . 2 2 21 21 PRO HG2 H 1 1.996 0 . . . . . . B 2080 PRO HG2 . 34188 1 602 . 2 2 21 21 PRO HG3 H 1 1.996 0 . . . . . . B 2080 PRO HG3 . 34188 1 603 . 2 2 21 21 PRO CA C 13 65.729 0.047 . . . . . . B 2080 PRO CA . 34188 1 604 . 2 2 21 21 PRO CB C 13 31.629 0 . . . . . . B 2080 PRO CB . 34188 1 605 . 2 2 22 22 GLN H H 1 8.205 0.004 . . . . . . B 2081 GLN H . 34188 1 606 . 2 2 22 22 GLN HA H 1 4.081 0.008 . . . . . . B 2081 GLN HA . 34188 1 607 . 2 2 22 22 GLN HB2 H 1 2.073 0.022 . . . . . . B 2081 GLN HB2 . 34188 1 608 . 2 2 22 22 GLN HB3 H 1 2.011 0.002 . . . . . . B 2081 GLN HB3 . 34188 1 609 . 2 2 22 22 GLN HG2 H 1 2.468 0.001 . . . . . . B 2081 GLN HG2 . 34188 1 610 . 2 2 22 22 GLN HG3 H 1 2.396 0.005 . . . . . . B 2081 GLN HG3 . 34188 1 611 . 2 2 22 22 GLN CA C 13 59.253 0.1 . . . . . . B 2081 GLN CA . 34188 1 612 . 2 2 22 22 GLN CB C 13 28.044 0.009 . . . . . . B 2081 GLN CB . 34188 1 613 . 2 2 22 22 GLN CG C 13 34.344 0 . . . . . . B 2081 GLN CG . 34188 1 614 . 2 2 22 22 GLN N N 15 116.775 0.026 . . . . . . B 2081 GLN N . 34188 1 615 . 2 2 23 23 GLN H H 1 8.385 0.007 . . . . . . B 2082 GLN H . 34188 1 616 . 2 2 23 23 GLN HA H 1 3.685 0.005 . . . . . . B 2082 GLN HA . 34188 1 617 . 2 2 23 23 GLN HB2 H 1 1.925 0.005 . . . . . . B 2082 GLN HB2 . 34188 1 618 . 2 2 23 23 GLN HG2 H 1 2.617 0.003 . . . . . . B 2082 GLN HG2 . 34188 1 619 . 2 2 23 23 GLN HG3 H 1 2.243 0.011 . . . . . . B 2082 GLN HG3 . 34188 1 620 . 2 2 23 23 GLN CA C 13 59.623 0.055 . . . . . . B 2082 GLN CA . 34188 1 621 . 2 2 23 23 GLN CB C 13 28.312 0.038 . . . . . . B 2082 GLN CB . 34188 1 622 . 2 2 23 23 GLN CG C 13 34.586 0.044 . . . . . . B 2082 GLN CG . 34188 1 623 . 2 2 23 23 GLN N N 15 119.398 0.02 . . . . . . B 2082 GLN N . 34188 1 624 . 2 2 24 24 GLN H H 1 8.069 0.004 . . . . . . B 2083 GLN H . 34188 1 625 . 2 2 24 24 GLN HA H 1 4.011 0.008 . . . . . . B 2083 GLN HA . 34188 1 626 . 2 2 24 24 GLN HB2 H 1 2.037 0 . . . . . . B 2083 GLN HB2 . 34188 1 627 . 2 2 24 24 GLN HB3 H 1 2.037 0 . . . . . . B 2083 GLN HB3 . 34188 1 628 . 2 2 24 24 GLN HG2 H 1 2.531 0 . . . . . . B 2083 GLN HG2 . 34188 1 629 . 2 2 24 24 GLN HG3 H 1 2.531 0 . . . . . . B 2083 GLN HG3 . 34188 1 630 . 2 2 24 24 GLN CA C 13 59.384 0.013 . . . . . . B 2083 GLN CA . 34188 1 631 . 2 2 24 24 GLN CB C 13 27.361 0 . . . . . . B 2083 GLN CB . 34188 1 632 . 2 2 24 24 GLN N N 15 124.677 0.04 . . . . . . B 2083 GLN N . 34188 1 633 . 2 2 25 25 GLN H H 1 7.869 0.003 . . . . . . B 2084 GLN H . 34188 1 634 . 2 2 25 25 GLN HA H 1 3.915 0 . . . . . . B 2084 GLN HA . 34188 1 635 . 2 2 25 25 GLN HB2 H 1 2.159 0 . . . . . . B 2084 GLN HB2 . 34188 1 636 . 2 2 25 25 GLN HB3 H 1 2.159 0 . . . . . . B 2084 GLN HB3 . 34188 1 637 . 2 2 25 25 GLN HG2 H 1 2.418 0 . . . . . . B 2084 GLN HG2 . 34188 1 638 . 2 2 25 25 GLN HG3 H 1 2.418 0 . . . . . . B 2084 GLN HG3 . 34188 1 639 . 2 2 25 25 GLN CA C 13 58.605 0 . . . . . . B 2084 GLN CA . 34188 1 640 . 2 2 25 25 GLN CB C 13 28.26 0 . . . . . . B 2084 GLN CB . 34188 1 641 . 2 2 25 25 GLN N N 15 117.205 0.009 . . . . . . B 2084 GLN N . 34188 1 642 . 2 2 26 26 GLN H H 1 7.972 0.005 . . . . . . B 2085 GLN H . 34188 1 643 . 2 2 26 26 GLN HA H 1 4.131 0.009 . . . . . . B 2085 GLN HA . 34188 1 644 . 2 2 26 26 GLN HB2 H 1 2.285 0.014 . . . . . . B 2085 GLN HB2 . 34188 1 645 . 2 2 26 26 GLN CA C 13 59.141 0.036 . . . . . . B 2085 GLN CA . 34188 1 646 . 2 2 26 26 GLN CB C 13 28.208 0.045 . . . . . . B 2085 GLN CB . 34188 1 647 . 2 2 26 26 GLN N N 15 119.743 0.004 . . . . . . B 2085 GLN N . 34188 1 648 . 2 2 27 27 VAL H H 1 8.098 0.009 . . . . . . B 2086 VAL H . 34188 1 649 . 2 2 27 27 VAL HA H 1 3.283 0.004 . . . . . . B 2086 VAL HA . 34188 1 650 . 2 2 27 27 VAL HB H 1 2.245 0.004 . . . . . . B 2086 VAL HB . 34188 1 651 . 2 2 27 27 VAL HG11 H 1 0.645 0.009 . . . . . . B 2086 VAL HG11 . 34188 1 652 . 2 2 27 27 VAL HG12 H 1 0.645 0.009 . . . . . . B 2086 VAL HG12 . 34188 1 653 . 2 2 27 27 VAL HG13 H 1 0.645 0.009 . . . . . . B 2086 VAL HG13 . 34188 1 654 . 2 2 27 27 VAL HG21 H 1 0.97 0.004 . . . . . . B 2086 VAL HG21 . 34188 1 655 . 2 2 27 27 VAL HG22 H 1 0.97 0.004 . . . . . . B 2086 VAL HG22 . 34188 1 656 . 2 2 27 27 VAL HG23 H 1 0.97 0.004 . . . . . . B 2086 VAL HG23 . 34188 1 657 . 2 2 27 27 VAL CA C 13 67.603 0.051 . . . . . . B 2086 VAL CA . 34188 1 658 . 2 2 27 27 VAL CB C 13 31.473 0.038 . . . . . . B 2086 VAL CB . 34188 1 659 . 2 2 27 27 VAL CG1 C 13 21.159 0.024 . . . . . . B 2086 VAL CG1 . 34188 1 660 . 2 2 27 27 VAL N N 15 119.761 0.047 . . . . . . B 2086 VAL N . 34188 1 661 . 2 2 28 28 LEU H H 1 7.932 0.006 . . . . . . B 2087 LEU H . 34188 1 662 . 2 2 28 28 LEU HA H 1 3.716 0.006 . . . . . . B 2087 LEU HA . 34188 1 663 . 2 2 28 28 LEU HB2 H 1 1.823 0.005 . . . . . . B 2087 LEU HB2 . 34188 1 664 . 2 2 28 28 LEU HB3 H 1 1.423 0.016 . . . . . . B 2087 LEU HB3 . 34188 1 665 . 2 2 28 28 LEU HG H 1 1.705 0.003 . . . . . . B 2087 LEU HG . 34188 1 666 . 2 2 28 28 LEU HD11 H 1 0.813 0.004 . . . . . . B 2087 LEU HD11 . 34188 1 667 . 2 2 28 28 LEU HD12 H 1 0.813 0.004 . . . . . . B 2087 LEU HD12 . 34188 1 668 . 2 2 28 28 LEU HD13 H 1 0.813 0.004 . . . . . . B 2087 LEU HD13 . 34188 1 669 . 2 2 28 28 LEU CA C 13 58.457 0.079 . . . . . . B 2087 LEU CA . 34188 1 670 . 2 2 28 28 LEU CB C 13 41.441 0.016 . . . . . . B 2087 LEU CB . 34188 1 671 . 2 2 28 28 LEU CG C 13 27.28 0 . . . . . . B 2087 LEU CG . 34188 1 672 . 2 2 28 28 LEU CD1 C 13 24.547 0.033 . . . . . . B 2087 LEU CD1 . 34188 1 673 . 2 2 28 28 LEU N N 15 117.991 0.062 . . . . . . B 2087 LEU N . 34188 1 674 . 2 2 29 29 ASN H H 1 8.419 0.005 . . . . . . B 2088 ASN H . 34188 1 675 . 2 2 29 29 ASN HA H 1 4.364 0.008 . . . . . . B 2088 ASN HA . 34188 1 676 . 2 2 29 29 ASN HB2 H 1 2.912 0.013 . . . . . . B 2088 ASN HB2 . 34188 1 677 . 2 2 29 29 ASN HB3 H 1 2.811 0.007 . . . . . . B 2088 ASN HB3 . 34188 1 678 . 2 2 29 29 ASN HD21 H 1 7.537 0.004 . . . . . . B 2088 ASN HD21 . 34188 1 679 . 2 2 29 29 ASN CA C 13 56.116 0.009 . . . . . . B 2088 ASN CA . 34188 1 680 . 2 2 29 29 ASN CB C 13 38.079 0.002 . . . . . . B 2088 ASN CB . 34188 1 681 . 2 2 29 29 ASN N N 15 117.128 0.017 . . . . . . B 2088 ASN N . 34188 1 682 . 2 2 30 30 ILE H H 1 8.098 0.015 . . . . . . B 2089 ILE H . 34188 1 683 . 2 2 30 30 ILE HA H 1 3.661 0.008 . . . . . . B 2089 ILE HA . 34188 1 684 . 2 2 30 30 ILE HB H 1 1.851 0.018 . . . . . . B 2089 ILE HB . 34188 1 685 . 2 2 30 30 ILE HG12 H 1 1.026 0.009 . . . . . . B 2089 ILE HG12 . 34188 1 686 . 2 2 30 30 ILE HG13 H 1 1.026 0.009 . . . . . . B 2089 ILE HG13 . 34188 1 687 . 2 2 30 30 ILE HG21 H 1 0.856 0.006 . . . . . . B 2089 ILE HG21 . 34188 1 688 . 2 2 30 30 ILE HG22 H 1 0.856 0.006 . . . . . . B 2089 ILE HG22 . 34188 1 689 . 2 2 30 30 ILE HG23 H 1 0.856 0.006 . . . . . . B 2089 ILE HG23 . 34188 1 690 . 2 2 30 30 ILE HD11 H 1 0.726 0.006 . . . . . . B 2089 ILE HD11 . 34188 1 691 . 2 2 30 30 ILE HD12 H 1 0.726 0.006 . . . . . . B 2089 ILE HD12 . 34188 1 692 . 2 2 30 30 ILE HD13 H 1 0.726 0.006 . . . . . . B 2089 ILE HD13 . 34188 1 693 . 2 2 30 30 ILE CA C 13 65.48 0.096 . . . . . . B 2089 ILE CA . 34188 1 694 . 2 2 30 30 ILE CB C 13 38.357 0.05 . . . . . . B 2089 ILE CB . 34188 1 695 . 2 2 30 30 ILE CG1 C 13 28.923 0.042 . . . . . . B 2089 ILE CG1 . 34188 1 696 . 2 2 30 30 ILE CG2 C 13 18.166 0.072 . . . . . . B 2089 ILE CG2 . 34188 1 697 . 2 2 30 30 ILE CD1 C 13 14.371 0.039 . . . . . . B 2089 ILE CD1 . 34188 1 698 . 2 2 30 30 ILE N N 15 122.168 0.012 . . . . . . B 2089 ILE N . 34188 1 699 . 2 2 31 31 LEU H H 1 8.158 0.01 . . . . . . B 2090 LEU H . 34188 1 700 . 2 2 31 31 LEU HA H 1 3.86 0.008 . . . . . . B 2090 LEU HA . 34188 1 701 . 2 2 31 31 LEU HB2 H 1 1.23 0.007 . . . . . . B 2090 LEU HB2 . 34188 1 702 . 2 2 31 31 LEU HB3 H 1 1.823 0.014 . . . . . . B 2090 LEU HB3 . 34188 1 703 . 2 2 31 31 LEU HG H 1 1.728 0.013 . . . . . . B 2090 LEU HG . 34188 1 704 . 2 2 31 31 LEU HD11 H 1 0.489 0.003 . . . . . . B 2090 LEU HD11 . 34188 1 705 . 2 2 31 31 LEU HD12 H 1 0.489 0.003 . . . . . . B 2090 LEU HD12 . 34188 1 706 . 2 2 31 31 LEU HD13 H 1 0.489 0.003 . . . . . . B 2090 LEU HD13 . 34188 1 707 . 2 2 31 31 LEU HD21 H 1 0.027 0.005 . . . . . . B 2090 LEU HD21 . 34188 1 708 . 2 2 31 31 LEU HD22 H 1 0.027 0.005 . . . . . . B 2090 LEU HD22 . 34188 1 709 . 2 2 31 31 LEU HD23 H 1 0.027 0.005 . . . . . . B 2090 LEU HD23 . 34188 1 710 . 2 2 31 31 LEU CA C 13 58.545 0.031 . . . . . . B 2090 LEU CA . 34188 1 711 . 2 2 31 31 LEU CB C 13 41.456 0.018 . . . . . . B 2090 LEU CB . 34188 1 712 . 2 2 31 31 LEU CG C 13 25.63 0 . . . . . . B 2090 LEU CG . 34188 1 713 . 2 2 31 31 LEU CD2 C 13 25.875 0.027 . . . . . . B 2090 LEU CD2 . 34188 1 714 . 2 2 31 31 LEU N N 15 119.263 0.044 . . . . . . B 2090 LEU N . 34188 1 715 . 2 2 32 32 LYS H H 1 8.596 0.006 . . . . . . B 2091 LYS H . 34188 1 716 . 2 2 32 32 LYS HA H 1 3.911 0.006 . . . . . . B 2091 LYS HA . 34188 1 717 . 2 2 32 32 LYS HB2 H 1 1.854 0.011 . . . . . . B 2091 LYS HB2 . 34188 1 718 . 2 2 32 32 LYS HB3 H 1 1.853 0.01 . . . . . . B 2091 LYS HB3 . 34188 1 719 . 2 2 32 32 LYS HG2 H 1 1.376 0.005 . . . . . . B 2091 LYS HG2 . 34188 1 720 . 2 2 32 32 LYS HG3 H 1 1.6 0.008 . . . . . . B 2091 LYS HG3 . 34188 1 721 . 2 2 32 32 LYS HE2 H 1 2.855 0 . . . . . . B 2091 LYS HE2 . 34188 1 722 . 2 2 32 32 LYS CA C 13 59.2 0.03 . . . . . . B 2091 LYS CA . 34188 1 723 . 2 2 32 32 LYS CB C 13 32.347 0.064 . . . . . . B 2091 LYS CB . 34188 1 724 . 2 2 32 32 LYS CG C 13 26.23 0.001 . . . . . . B 2091 LYS CG . 34188 1 725 . 2 2 32 32 LYS N N 15 115.645 0.051 . . . . . . B 2091 LYS N . 34188 1 726 . 2 2 33 33 SER H H 1 7.548 0.005 . . . . . . B 2092 SER H . 34188 1 727 . 2 2 33 33 SER HA H 1 4.477 0.007 . . . . . . B 2092 SER HA . 34188 1 728 . 2 2 33 33 SER HB2 H 1 3.995 0.007 . . . . . . B 2092 SER HB2 . 34188 1 729 . 2 2 33 33 SER HB3 H 1 3.995 0.007 . . . . . . B 2092 SER HB3 . 34188 1 730 . 2 2 33 33 SER CA C 13 59.52 0.017 . . . . . . B 2092 SER CA . 34188 1 731 . 2 2 33 33 SER CB C 13 64.419 0.036 . . . . . . B 2092 SER CB . 34188 1 732 . 2 2 33 33 SER N N 15 111.675 0.029 . . . . . . B 2092 SER N . 34188 1 733 . 2 2 34 34 ASN H H 1 7.289 0.007 . . . . . . B 2093 ASN H . 34188 1 734 . 2 2 34 34 ASN HA H 1 5.4 0.004 . . . . . . B 2093 ASN HA . 34188 1 735 . 2 2 34 34 ASN HB2 H 1 2.808 0.006 . . . . . . B 2093 ASN HB2 . 34188 1 736 . 2 2 34 34 ASN HB3 H 1 2.481 0.005 . . . . . . B 2093 ASN HB3 . 34188 1 737 . 2 2 34 34 ASN CA C 13 51.495 0.04 . . . . . . B 2093 ASN CA . 34188 1 738 . 2 2 34 34 ASN CB C 13 41.583 0.053 . . . . . . B 2093 ASN CB . 34188 1 739 . 2 2 34 34 ASN N N 15 118.086 0.075 . . . . . . B 2093 ASN N . 34188 1 740 . 2 2 35 35 PRO HA H 1 4.416 0.008 . . . . . . B 2094 PRO HA . 34188 1 741 . 2 2 35 35 PRO HB2 H 1 2.187 0.003 . . . . . . B 2094 PRO HB2 . 34188 1 742 . 2 2 35 35 PRO HB3 H 1 2.187 0.003 . . . . . . B 2094 PRO HB3 . 34188 1 743 . 2 2 35 35 PRO HG2 H 1 2.06 0.022 . . . . . . B 2094 PRO HG2 . 34188 1 744 . 2 2 35 35 PRO HG3 H 1 2.06 0.022 . . . . . . B 2094 PRO HG3 . 34188 1 745 . 2 2 35 35 PRO HD2 H 1 3.934 0.003 . . . . . . B 2094 PRO HD2 . 34188 1 746 . 2 2 35 35 PRO HD3 H 1 3.678 0.002 . . . . . . B 2094 PRO HD3 . 34188 1 747 . 2 2 35 35 PRO CA C 13 65.727 0.059 . . . . . . B 2094 PRO CA . 34188 1 748 . 2 2 35 35 PRO CD C 13 51.196 0.008 . . . . . . B 2094 PRO CD . 34188 1 749 . 2 2 36 36 GLN H H 1 8.914 0.017 . . . . . . B 2095 GLN H . 34188 1 750 . 2 2 36 36 GLN CA C 13 59.235 0.001 . . . . . . B 2095 GLN CA . 34188 1 751 . 2 2 36 36 GLN CB C 13 28.383 0.024 . . . . . . B 2095 GLN CB . 34188 1 752 . 2 2 36 36 GLN N N 15 118.185 0.057 . . . . . . B 2095 GLN N . 34188 1 753 . 2 2 37 37 LEU H H 1 7.906 0.004 . . . . . . B 2096 LEU H . 34188 1 754 . 2 2 37 37 LEU HA H 1 4.216 0.003 . . . . . . B 2096 LEU HA . 34188 1 755 . 2 2 37 37 LEU HB2 H 1 1.914 0.009 . . . . . . B 2096 LEU HB2 . 34188 1 756 . 2 2 37 37 LEU HB3 H 1 1.898 0.023 . . . . . . B 2096 LEU HB3 . 34188 1 757 . 2 2 37 37 LEU HG H 1 1.621 0.012 . . . . . . B 2096 LEU HG . 34188 1 758 . 2 2 37 37 LEU HD11 H 1 0.804 0.002 . . . . . . B 2096 LEU HD11 . 34188 1 759 . 2 2 37 37 LEU HD12 H 1 0.804 0.002 . . . . . . B 2096 LEU HD12 . 34188 1 760 . 2 2 37 37 LEU HD13 H 1 0.804 0.002 . . . . . . B 2096 LEU HD13 . 34188 1 761 . 2 2 37 37 LEU HD21 H 1 0.868 0.009 . . . . . . B 2096 LEU HD21 . 34188 1 762 . 2 2 37 37 LEU HD22 H 1 0.868 0.009 . . . . . . B 2096 LEU HD22 . 34188 1 763 . 2 2 37 37 LEU HD23 H 1 0.868 0.009 . . . . . . B 2096 LEU HD23 . 34188 1 764 . 2 2 37 37 LEU CA C 13 57.061 0.063 . . . . . . B 2096 LEU CA . 34188 1 765 . 2 2 37 37 LEU CB C 13 41.53 0 . . . . . . B 2096 LEU CB . 34188 1 766 . 2 2 37 37 LEU N N 15 121.671 0.026 . . . . . . B 2096 LEU N . 34188 1 767 . 2 2 38 38 MET H H 1 7.984 0.003 . . . . . . B 2097 MET H . 34188 1 768 . 2 2 38 38 MET HA H 1 3.906 0.011 . . . . . . B 2097 MET HA . 34188 1 769 . 2 2 38 38 MET HB2 H 1 1.635 0.005 . . . . . . B 2097 MET HB2 . 34188 1 770 . 2 2 38 38 MET HB3 H 1 1.861 0 . . . . . . B 2097 MET HB3 . 34188 1 771 . 2 2 38 38 MET HE1 H 1 1.972 0.003 . . . . . . B 2097 MET HE1 . 34188 1 772 . 2 2 38 38 MET HE2 H 1 1.972 0.003 . . . . . . B 2097 MET HE2 . 34188 1 773 . 2 2 38 38 MET HE3 H 1 1.972 0.003 . . . . . . B 2097 MET HE3 . 34188 1 774 . 2 2 38 38 MET CA C 13 55.879 0.03 . . . . . . B 2097 MET CA . 34188 1 775 . 2 2 38 38 MET CB C 13 28.577 0.095 . . . . . . B 2097 MET CB . 34188 1 776 . 2 2 38 38 MET CE C 13 17.876 0.006 . . . . . . B 2097 MET CE . 34188 1 777 . 2 2 38 38 MET N N 15 117.014 0.02 . . . . . . B 2097 MET N . 34188 1 778 . 2 2 39 39 ALA H H 1 8.526 0.006 . . . . . . B 2098 ALA H . 34188 1 779 . 2 2 39 39 ALA HA H 1 4.031 0.008 . . . . . . B 2098 ALA HA . 34188 1 780 . 2 2 39 39 ALA HB1 H 1 1.434 0.006 . . . . . . B 2098 ALA HB1 . 34188 1 781 . 2 2 39 39 ALA HB2 H 1 1.434 0.006 . . . . . . B 2098 ALA HB2 . 34188 1 782 . 2 2 39 39 ALA HB3 H 1 1.434 0.006 . . . . . . B 2098 ALA HB3 . 34188 1 783 . 2 2 39 39 ALA CA C 13 54.831 0.106 . . . . . . B 2098 ALA CA . 34188 1 784 . 2 2 39 39 ALA CB C 13 18.259 0.025 . . . . . . B 2098 ALA CB . 34188 1 785 . 2 2 39 39 ALA N N 15 120.04 0.029 . . . . . . B 2098 ALA N . 34188 1 786 . 2 2 40 40 ALA H H 1 7.52 0.018 . . . . . . B 2099 ALA H . 34188 1 787 . 2 2 40 40 ALA HA H 1 4.155 0.007 . . . . . . B 2099 ALA HA . 34188 1 788 . 2 2 40 40 ALA HB1 H 1 1.516 0.006 . . . . . . B 2099 ALA HB1 . 34188 1 789 . 2 2 40 40 ALA HB2 H 1 1.516 0.006 . . . . . . B 2099 ALA HB2 . 34188 1 790 . 2 2 40 40 ALA HB3 H 1 1.516 0.006 . . . . . . B 2099 ALA HB3 . 34188 1 791 . 2 2 40 40 ALA CA C 13 55.08 0.044 . . . . . . B 2099 ALA CA . 34188 1 792 . 2 2 40 40 ALA CB C 13 18.23 0.036 . . . . . . B 2099 ALA CB . 34188 1 793 . 2 2 40 40 ALA N N 15 120.878 0.017 . . . . . . B 2099 ALA N . 34188 1 794 . 2 2 41 41 PHE H H 1 8.566 0.008 . . . . . . B 2100 PHE H . 34188 1 795 . 2 2 41 41 PHE HA H 1 3.877 0.005 . . . . . . B 2100 PHE HA . 34188 1 796 . 2 2 41 41 PHE HB2 H 1 3.398 0.004 . . . . . . B 2100 PHE HB2 . 34188 1 797 . 2 2 41 41 PHE HB3 H 1 2.905 0.004 . . . . . . B 2100 PHE HB3 . 34188 1 798 . 2 2 41 41 PHE HD1 H 1 6.94 0.002 . . . . . . B 2100 PHE HD1 . 34188 1 799 . 2 2 41 41 PHE HD2 H 1 6.94 0.002 . . . . . . B 2100 PHE HD2 . 34188 1 800 . 2 2 41 41 PHE CA C 13 62.125 0.088 . . . . . . B 2100 PHE CA . 34188 1 801 . 2 2 41 41 PHE CB C 13 40.728 0.036 . . . . . . B 2100 PHE CB . 34188 1 802 . 2 2 41 41 PHE N N 15 120.186 0.029 . . . . . . B 2100 PHE N . 34188 1 803 . 2 2 42 42 ILE H H 1 8.695 0.007 . . . . . . B 2101 ILE H . 34188 1 804 . 2 2 42 42 ILE HA H 1 3.49 0.015 . . . . . . B 2101 ILE HA . 34188 1 805 . 2 2 42 42 ILE HB H 1 1.914 0.015 . . . . . . B 2101 ILE HB . 34188 1 806 . 2 2 42 42 ILE HG12 H 1 1.133 0.007 . . . . . . B 2101 ILE HG12 . 34188 1 807 . 2 2 42 42 ILE HG13 H 1 1.133 0.007 . . . . . . B 2101 ILE HG13 . 34188 1 808 . 2 2 42 42 ILE HG21 H 1 0.92 0.006 . . . . . . B 2101 ILE HG21 . 34188 1 809 . 2 2 42 42 ILE HG22 H 1 0.92 0.006 . . . . . . B 2101 ILE HG22 . 34188 1 810 . 2 2 42 42 ILE HG23 H 1 0.92 0.006 . . . . . . B 2101 ILE HG23 . 34188 1 811 . 2 2 42 42 ILE HD11 H 1 0.948 0.002 . . . . . . B 2101 ILE HD11 . 34188 1 812 . 2 2 42 42 ILE HD12 H 1 0.948 0.002 . . . . . . B 2101 ILE HD12 . 34188 1 813 . 2 2 42 42 ILE HD13 H 1 0.948 0.002 . . . . . . B 2101 ILE HD13 . 34188 1 814 . 2 2 42 42 ILE CA C 13 66.14 0.101 . . . . . . B 2101 ILE CA . 34188 1 815 . 2 2 42 42 ILE CB C 13 38.16 0.034 . . . . . . B 2101 ILE CB . 34188 1 816 . 2 2 42 42 ILE CG1 C 13 29.923 0.048 . . . . . . B 2101 ILE CG1 . 34188 1 817 . 2 2 42 42 ILE CG2 C 13 17.13 0.036 . . . . . . B 2101 ILE CG2 . 34188 1 818 . 2 2 42 42 ILE CD1 C 13 13.9 0.001 . . . . . . B 2101 ILE CD1 . 34188 1 819 . 2 2 42 42 ILE N N 15 117.929 0.039 . . . . . . B 2101 ILE N . 34188 1 820 . 2 2 43 43 LYS H H 1 7.78 0.004 . . . . . . B 2102 LYS H . 34188 1 821 . 2 2 43 43 LYS HA H 1 3.966 0.006 . . . . . . B 2102 LYS HA . 34188 1 822 . 2 2 43 43 LYS HB2 H 1 1.917 0.006 . . . . . . B 2102 LYS HB2 . 34188 1 823 . 2 2 43 43 LYS HB3 H 1 1.917 0.006 . . . . . . B 2102 LYS HB3 . 34188 1 824 . 2 2 43 43 LYS HG2 H 1 1.515 0.005 . . . . . . B 2102 LYS HG2 . 34188 1 825 . 2 2 43 43 LYS HG3 H 1 1.39 0.003 . . . . . . B 2102 LYS HG3 . 34188 1 826 . 2 2 43 43 LYS HD2 H 1 1.687 0.006 . . . . . . B 2102 LYS HD2 . 34188 1 827 . 2 2 43 43 LYS HD3 H 1 1.686 0.008 . . . . . . B 2102 LYS HD3 . 34188 1 828 . 2 2 43 43 LYS HE2 H 1 2.972 0.001 . . . . . . B 2102 LYS HE2 . 34188 1 829 . 2 2 43 43 LYS CA C 13 59.618 0.005 . . . . . . B 2102 LYS CA . 34188 1 830 . 2 2 43 43 LYS CB C 13 32.444 0.011 . . . . . . B 2102 LYS CB . 34188 1 831 . 2 2 43 43 LYS CG C 13 25.004 0.009 . . . . . . B 2102 LYS CG . 34188 1 832 . 2 2 43 43 LYS N N 15 118.286 0.019 . . . . . . B 2102 LYS N . 34188 1 833 . 2 2 44 44 GLN H H 1 7.602 0.008 . . . . . . B 2103 GLN H . 34188 1 834 . 2 2 44 44 GLN HA H 1 3.999 0 . . . . . . B 2103 GLN HA . 34188 1 835 . 2 2 44 44 GLN HB2 H 1 2.086 0 . . . . . . B 2103 GLN HB2 . 34188 1 836 . 2 2 44 44 GLN HB3 H 1 1.881 0 . . . . . . B 2103 GLN HB3 . 34188 1 837 . 2 2 44 44 GLN HG2 H 1 2.36 0 . . . . . . B 2103 GLN HG2 . 34188 1 838 . 2 2 44 44 GLN HG3 H 1 2.36 0 . . . . . . B 2103 GLN HG3 . 34188 1 839 . 2 2 44 44 GLN CB C 13 28.036 0 . . . . . . B 2103 GLN CB . 34188 1 840 . 2 2 44 44 GLN N N 15 117.333 0.029 . . . . . . B 2103 GLN N . 34188 1 841 . 2 2 45 45 ARG H H 1 8.26 0.007 . . . . . . B 2104 ARG H . 34188 1 842 . 2 2 45 45 ARG HA H 1 4.077 0.004 . . . . . . B 2104 ARG HA . 34188 1 843 . 2 2 45 45 ARG HD2 H 1 3.417 0 . . . . . . B 2104 ARG HD2 . 34188 1 844 . 2 2 45 45 ARG HD3 H 1 2.913 0 . . . . . . B 2104 ARG HD3 . 34188 1 845 . 2 2 45 45 ARG CA C 13 59.656 0.025 . . . . . . B 2104 ARG CA . 34188 1 846 . 2 2 45 45 ARG CB C 13 31.608 0 . . . . . . B 2104 ARG CB . 34188 1 847 . 2 2 45 45 ARG N N 15 119.083 0.097 . . . . . . B 2104 ARG N . 34188 1 848 . 2 2 46 46 ALA H H 1 8.048 0.006 . . . . . . B 2105 ALA H . 34188 1 849 . 2 2 46 46 ALA HA H 1 4.104 0.01 . . . . . . B 2105 ALA HA . 34188 1 850 . 2 2 46 46 ALA HB1 H 1 1.502 0.003 . . . . . . B 2105 ALA HB1 . 34188 1 851 . 2 2 46 46 ALA HB2 H 1 1.502 0.003 . . . . . . B 2105 ALA HB2 . 34188 1 852 . 2 2 46 46 ALA HB3 H 1 1.502 0.003 . . . . . . B 2105 ALA HB3 . 34188 1 853 . 2 2 46 46 ALA CA C 13 55.317 0.032 . . . . . . B 2105 ALA CA . 34188 1 854 . 2 2 46 46 ALA CB C 13 17.964 0.03 . . . . . . B 2105 ALA CB . 34188 1 855 . 2 2 46 46 ALA N N 15 118.834 0.026 . . . . . . B 2105 ALA N . 34188 1 856 . 2 2 47 47 ALA H H 1 7.365 0.011 . . . . . . B 2106 ALA H . 34188 1 857 . 2 2 47 47 ALA HA H 1 4.152 0.008 . . . . . . B 2106 ALA HA . 34188 1 858 . 2 2 47 47 ALA HB1 H 1 1.433 0.007 . . . . . . B 2106 ALA HB1 . 34188 1 859 . 2 2 47 47 ALA HB2 H 1 1.433 0.007 . . . . . . B 2106 ALA HB2 . 34188 1 860 . 2 2 47 47 ALA HB3 H 1 1.433 0.007 . . . . . . B 2106 ALA HB3 . 34188 1 861 . 2 2 47 47 ALA CA C 13 54.041 0.05 . . . . . . B 2106 ALA CA . 34188 1 862 . 2 2 47 47 ALA CB C 13 18.476 0.012 . . . . . . B 2106 ALA CB . 34188 1 863 . 2 2 47 47 ALA N N 15 118.369 0.021 . . . . . . B 2106 ALA N . 34188 1 864 . 2 2 48 48 LYS H H 1 7.608 0.006 . . . . . . B 2107 LYS H . 34188 1 865 . 2 2 48 48 LYS HA H 1 4.084 0.007 . . . . . . B 2107 LYS HA . 34188 1 866 . 2 2 48 48 LYS HB2 H 1 1.659 0.017 . . . . . . B 2107 LYS HB2 . 34188 1 867 . 2 2 48 48 LYS HB3 H 1 1.554 0.013 . . . . . . B 2107 LYS HB3 . 34188 1 868 . 2 2 48 48 LYS HG2 H 1 1.204 0.006 . . . . . . B 2107 LYS HG2 . 34188 1 869 . 2 2 48 48 LYS HG3 H 1 1.204 0.006 . . . . . . B 2107 LYS HG3 . 34188 1 870 . 2 2 48 48 LYS HD2 H 1 1.504 0.008 . . . . . . B 2107 LYS HD2 . 34188 1 871 . 2 2 48 48 LYS HD3 H 1 1.501 0.007 . . . . . . B 2107 LYS HD3 . 34188 1 872 . 2 2 48 48 LYS HE2 H 1 2.894 0.013 . . . . . . B 2107 LYS HE2 . 34188 1 873 . 2 2 48 48 LYS HE3 H 1 2.884 0.014 . . . . . . B 2107 LYS HE3 . 34188 1 874 . 2 2 48 48 LYS CA C 13 56.499 0.043 . . . . . . B 2107 LYS CA . 34188 1 875 . 2 2 48 48 LYS CB C 13 31.564 0.029 . . . . . . B 2107 LYS CB . 34188 1 876 . 2 2 48 48 LYS CG C 13 24.216 0.027 . . . . . . B 2107 LYS CG . 34188 1 877 . 2 2 48 48 LYS CD C 13 28.371 0.053 . . . . . . B 2107 LYS CD . 34188 1 878 . 2 2 48 48 LYS CE C 13 42.135 0.007 . . . . . . B 2107 LYS CE . 34188 1 879 . 2 2 48 48 LYS N N 15 116.071 0.022 . . . . . . B 2107 LYS N . 34188 1 880 . 2 2 49 49 TYR H H 1 7.583 0.011 . . . . . . B 2108 TYR H . 34188 1 881 . 2 2 49 49 TYR HA H 1 4.534 0.004 . . . . . . B 2108 TYR HA . 34188 1 882 . 2 2 49 49 TYR HB2 H 1 3.26 0.004 . . . . . . B 2108 TYR HB2 . 34188 1 883 . 2 2 49 49 TYR HB3 H 1 2.73 0.004 . . . . . . B 2108 TYR HB3 . 34188 1 884 . 2 2 49 49 TYR CA C 13 58.138 0.021 . . . . . . B 2108 TYR CA . 34188 1 885 . 2 2 49 49 TYR CB C 13 39.172 0.038 . . . . . . B 2108 TYR CB . 34188 1 886 . 2 2 49 49 TYR N N 15 118.511 0.066 . . . . . . B 2108 TYR N . 34188 1 887 . 2 2 50 50 GLN H H 1 7.404 0.006 . . . . . . B 2109 GLN H . 34188 1 888 . 2 2 50 50 GLN HA H 1 4.157 0.004 . . . . . . B 2109 GLN HA . 34188 1 889 . 2 2 50 50 GLN HB2 H 1 1.924 0.002 . . . . . . B 2109 GLN HB2 . 34188 1 890 . 2 2 50 50 GLN HB3 H 1 2.115 0.005 . . . . . . B 2109 GLN HB3 . 34188 1 891 . 2 2 50 50 GLN HG2 H 1 2.335 0.004 . . . . . . B 2109 GLN HG2 . 34188 1 892 . 2 2 50 50 GLN HG3 H 1 2.335 0.004 . . . . . . B 2109 GLN HG3 . 34188 1 893 . 2 2 50 50 GLN CA C 13 57.384 0.053 . . . . . . B 2109 GLN CA . 34188 1 894 . 2 2 50 50 GLN CB C 13 30.368 0.068 . . . . . . B 2109 GLN CB . 34188 1 895 . 2 2 50 50 GLN CG C 13 34.269 0.042 . . . . . . B 2109 GLN CG . 34188 1 896 . 2 2 50 50 GLN N N 15 124.784 0.041 . . . . . . B 2109 GLN N . 34188 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 34188 _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 63.206 1.313 4.301 1 U 5.867E+07 0.000E+00 a 0 CA.A22 QG2.A22 HA.A22 2 63.206 4.306 4.297 1 U 4.467E+08 0.000E+00 a 0 CA.A22 HA.A22 HA.A22 3 63.206 8.586 4.297 1 U 1.162E+08 0.000E+00 a 0 CA.A22 H.A23 HA.A22 4 63.206 7.517 4.306 1 U 2.880E+07 0.000E+00 a 0 CA.A22 H.A22 HA.A22 5 63.206 2.740 4.306 1 U 1.432E+07 0.000E+00 a 0 CA.A22 - HA.A22 6 69.795 0.925 4.145 1 U 4.045E+07 0.000E+00 a 0 - - - 7 69.795 1.307 4.140 1 U 6.020E+07 0.000E+00 a 0 - - - 8 69.795 4.137 4.140 1 U 2.587E+08 0.000E+00 a 0 CB.A22 HB.A22 HB.A22 9 69.795 7.540 4.149 1 U 3.685E+07 0.000E+00 a 0 CB.A22 H.A22 HB.A22 10 69.795 8.540 4.135 1 U 1.755E+07 0.000E+00 a 0 CB.A22 H.A23 HB.A22 11 54.883 4.132 4.133 1 U 8.621E+08 0.000E+00 a 0 CA.A33 HA.A33 HA.A33 12 54.883 7.994 4.135 1 U 6.882E+07 0.000E+00 a 0 CA.A33 H.A33 HA.A33 13 54.883 1.547 4.133 1 U 1.718E+08 0.000E+00 a 0 CA.A33 QB.A33 HA.A33 14 54.883 0.795 4.133 1 U 1.439E+07 0.000E+00 a 0 CA.A33 QD1.A34 HA.A33 15 18.640 1.550 1.553 1 U 5.354E+09 0.000E+00 a 0 CB.A33 QB.A33 QB.A33 16 18.640 0.811 1.549 1 U 1.583E+08 0.000E+00 a 0 CB.A33 - QB.A33 17 18.640 3.644 1.549 1 U 5.450E+07 0.000E+00 a 0 CB.A33 HA.A30 QB.A33 18 18.640 4.159 1.555 1 U 3.153E+08 0.000E+00 a 0 CB.A33 HA.A33 QB.A33 19 18.640 4.327 1.558 1 U 1.242E+08 0.000E+00 a 0 CB.A33 HA.A34 QB.A33 20 18.640 8.008 1.553 1 U 3.620E+08 0.000E+00 a 0 CB.A33 H.A33 QB.A33 21 18.640 7.916 1.486 1 U 2.288E+08 0.000E+00 a 0 - - - 22 42.460 0.888 1.790 1 U 9.053E+07 0.000E+00 a 0 CB.A18 QQD.A18 HB3.A18 23 42.460 1.785 1.790 1 U 3.807E+08 0.000E+00 a 0 CB.A18 HB3.A18 HB3.A18 24 42.460 4.183 1.790 1 U 5.281E+07 0.000E+00 a 0 CB.A18 HA.A18 HB3.A18 25 42.460 3.998 1.790 1 U 3.395E+07 0.000E+00 a 0 CB.A18 HB2.A17 HB3.A18 25 42.460 3.998 1.790 1 U 3.395E+07 0.000E+00 a 0 CB.A18 - HB3.A18 26 42.460 8.140 1.793 1 U 5.441E+07 0.000E+00 a 0 CB.A18 H.A18 HB3.A18 27 42.460 8.732 1.793 1 U 3.170E+07 0.000E+00 a 0 CB.A18 H.A19 HB3.A18 28 42.460 8.144 1.724 1 U 4.157E+07 0.000E+00 a 0 CB.A18 H.A18 HB2.A18 29 42.460 8.738 1.726 1 U 2.382E+07 0.000E+00 a 0 CB.A18 H.A19 HB2.A18 30 42.460 4.186 1.728 1 U 5.592E+07 0.000E+00 a 0 CB.A18 HA.A18 HB2.A18 31 42.460 3.993 1.721 1 U 2.006E+07 0.000E+00 a 0 CB.A18 HB2.A17 HB2.A18 31 42.460 3.993 1.721 1 U 2.006E+07 0.000E+00 a 0 CB.A18 - HB2.A18 32 42.460 1.728 1.724 1 U 5.809E+08 0.000E+00 a 0 CB.A18 HB2.A18 HB2.A18 33 42.460 0.881 1.733 1 U 9.273E+07 0.000E+00 a 0 CB.A18 QQD.A18 HB2.A18 34 65.400 0.801 3.646 1 U 7.504E+07 0.000E+00 a 0 CA.A30 QG2.A30 HA.A30 35 65.400 1.063 3.641 1 U 3.282E+07 0.000E+00 a 0 - - - 36 65.400 2.197 3.646 1 U 2.143E+07 0.000E+00 a 0 CA.A30 HB2.A31 HA.A30 37 65.400 1.750 3.646 1 U 2.241E+07 0.000E+00 a 0 CA.A30 HB.A30 HA.A30 38 65.400 1.547 3.643 1 U 2.982E+07 0.000E+00 a 0 CA.A30 QB.A33 HA.A30 39 65.400 3.641 3.639 1 U 2.099E+09 0.000E+00 a 0 CA.A30 HA.A30 HA.A30 40 65.400 7.690 3.643 1 U 3.361E+07 0.000E+00 a 0 CA.A30 H.A30 HA.A30 41 65.400 7.976 3.639 1 U 3.080E+07 0.000E+00 a 0 CA.A30 H.A33 HA.A30 42 65.400 3.540 3.540 1 U 2.506E+09 0.000E+00 a 0 - - - 43 56.338 7.422 4.210 1 U 4.150E+07 0.000E+00 a 0 CA.A39 H.A38 HA.A39 44 56.338 7.740 4.212 1 U 8.573E+07 0.000E+00 a 0 CA.A39 H.A39 HA.A39 45 56.338 7.846 4.210 1 U 9.188E+07 0.000E+00 a 0 CA.A39 H.A40 HA.A39 46 56.338 8.065 4.210 1 U 5.438E+07 0.000E+00 a 0 CA.A39 H.A41 HA.A39 47 56.338 4.193 4.210 1 U 1.871E+09 0.000E+00 a 0 CA.A39 HA.A39 HA.A39 48 56.338 2.993 4.214 1 U 3.936E+07 0.000E+00 a 0 CA.A39 - HA.A39 49 56.338 1.548 4.212 1 U 2.144E+08 0.000E+00 a 0 CA.A39 HB3.A39 HA.A39 50 56.338 1.839 4.210 1 U 6.122E+07 0.000E+00 a 0 - - - 51 56.338 0.840 4.210 1 U 7.584E+07 0.000E+00 a 0 CA.A39 - HA.A39 52 56.338 1.319 4.212 1 U 3.056E+07 0.000E+00 a 0 CA.A39 - HA.A39 53 56.338 1.730 4.212 1 U 9.902E+07 0.000E+00 a 0 CA.A39 HB2.A39 HA.A39 54 42.200 1.546 1.724 1 U 2.228E+08 0.000E+00 a 0 CB.A39 HB3.A39 HB2.A39 55 42.200 1.548 1.552 1 U 4.172E+08 0.000E+00 a 0 CB.A39 HB3.A39 HB3.A39 56 42.200 1.725 1.552 1 U 2.525E+08 0.000E+00 a 0 CB.A39 HB2.A39 HB3.A39 57 42.200 0.884 1.545 1 U 8.204E+07 0.000E+00 a 0 CB.A39 - HB3.A39 58 42.200 4.210 1.547 1 U 5.020E+07 0.000E+00 a 0 CB.A39 HA.A39 HB3.A39 59 42.200 7.767 1.540 1 U 3.179E+07 0.000E+00 a 0 CB.A39 H.A39 HB3.A39 60 42.200 7.746 1.724 1 U 4.636E+07 0.000E+00 a 0 CB.A39 H.A39 HB2.A39 61 42.200 8.059 1.547 1 U 1.999E+07 0.000E+00 a 0 CB.A39 H.A41 HB3.A39 62 42.200 8.373 1.545 1 U 2.339E+07 0.000E+00 a 0 - - - 63 42.200 4.030 1.545 1 U 2.626E+07 0.000E+00 a 0 CB.A39 HA.A40 HB3.A39 64 55.660 4.213 4.215 1 U 1.756E+09 0.000E+00 a 0 CA.A28 HA.A28 HA.A28 67 55.660 7.894 4.213 1 U 9.562E+07 0.000E+00 a 0 CA.A28 H.A29 HA.A28 68 55.660 8.085 4.217 1 U 5.514E+07 0.000E+00 a 0 CA.A28 H.A28 HA.A28 69 55.642 2.404 4.210 1 U 1.766E+07 0.000E+00 a 0 CA.A28 HB3.A31 HA.A28 70 55.642 1.544 4.215 1 U 2.345E+08 0.000E+00 a 0 CA.A28 QB.A28 HA.A28 71 55.642 0.838 4.207 1 U 5.203E+07 0.000E+00 a 0 CA.A28 - HA.A28 72 18.149 1.560 1.558 1 U 3.973E+09 0.000E+00 a 0 CB.A28 QB.A28 QB.A28 73 18.149 8.086 1.561 1 U 2.042E+08 0.000E+00 a 0 CB.A28 H.A28 QB.A28 74 54.880 8.425 4.566 1 U 1.006E+08 0.000E+00 a 0 CA.A7 H.A8 HA.A7 75 54.880 8.169 4.568 1 U 3.392E+07 0.000E+00 a 0 CA.A7 H.A7 HA.A7 76 54.880 4.562 4.563 1 U 1.024E+09 0.000E+00 a 0 CA.A7 HA.A7 HA.A7 77 54.880 2.734 4.563 1 U 1.405E+08 0.000E+00 a 0 CA.A7 QB.A7 HA.A7 78 54.880 1.486 4.566 1 U 2.182E+07 0.000E+00 a 0 CA.A7 - HA.A7 79 41.000 2.735 2.731 1 U 2.186E+09 0.000E+00 a 0 CB.A7 QB.A7 QB.A7 80 41.000 4.565 2.733 1 U 9.708E+07 0.000E+00 a 0 CB.A7 HA.A7 QB.A7 81 41.000 4.264 2.736 1 U 4.236E+07 0.000E+00 a 0 CB.A7 - QB.A7 82 41.000 8.192 2.736 1 U 9.426E+07 0.000E+00 a 0 CB.A7 H.A7 QB.A7 83 41.000 7.979 2.733 1 U 6.296E+07 0.000E+00 a 0 - - - 84 41.000 8.409 2.733 1 U 7.568E+07 0.000E+00 a 0 CB.A7 H.A6 QB.A7 85 41.000 1.488 2.738 1 U 1.125E+07 0.000E+00 a 0 CB.A7 - QB.A7 86 53.460 2.764 4.695 1 U 6.060E+07 0.000E+00 a 0 CA.A6 HB3.A6 HA.A6 87 53.460 2.819 4.695 1 U 6.514E+07 0.000E+00 a 0 CA.A6 HB2.A6 HA.A6 88 53.460 4.690 4.688 1 U 7.989E+08 0.000E+00 a 0 CA.A6 HA.A6 HA.A6 89 53.460 4.911 4.693 1 U 4.976E+07 0.000E+00 a 0 - - - 90 53.460 8.381 4.693 1 U 2.222E+07 0.000E+00 a 0 CA.A6 H.A6 HA.A6 91 53.460 8.190 4.693 1 U 4.072E+07 0.000E+00 a 0 CA.A6 H.A7 HA.A6 92 38.900 2.821 2.815 1 U 7.957E+08 0.000E+00 a 0 CB.A6 HB2.A6 HB2.A6 93 38.900 2.766 2.765 1 U 6.319E+08 0.000E+00 a 0 CB.A6 HB3.A6 HB3.A6 94 38.900 4.690 2.820 1 U 3.026E+07 0.000E+00 a 0 CB.A6 HA.A6 HB2.A6 95 38.900 4.693 2.767 1 U 1.530E+07 0.000E+00 a 0 CB.A6 HA.A6 HB3.A6 96 38.900 7.628 2.822 1 U 2.010E+07 0.000E+00 a 0 CB.A6 HD21.A6 HB2.A6 97 38.900 7.628 2.767 1 U 2.996E+07 0.000E+00 a 0 CB.A6 HD21.A6 HB3.A6 98 38.900 8.386 2.825 1 U 3.467E+07 0.000E+00 a 0 CB.A6 H.A6 HB2.A6 99 38.900 8.386 2.770 1 U 2.048E+07 0.000E+00 a 0 CB.A6 H.A6 HB3.A6 100 64.230 7.606 4.048 1 U 3.341E+07 0.000E+00 a 0 CB.A21 H.A21 HB2.A21 101 64.230 7.603 3.936 1 U 4.921E+07 0.000E+00 a 0 CB.A21 H.A21 HB3.A21 102 64.230 4.043 4.048 1 U 1.093E+09 0.000E+00 a 0 CB.A21 HB2.A21 HB2.A21 103 64.230 3.936 3.946 1 U 1.748E+09 0.000E+00 a 0 CB.A21 HB3.A21 HB3.A21 104 64.230 3.941 4.043 1 U 8.087E+08 0.000E+00 a 0 CB.A21 HB3.A21 HB2.A21 105 64.230 4.041 3.944 1 U 9.655E+08 0.000E+00 a 0 CB.A21 HB2.A21 HB3.A21 106 64.230 4.645 4.053 1 U 7.128E+07 0.000E+00 a 0 CB.A21 HA.A21 HB2.A21 107 64.230 4.640 3.941 1 U 6.495E+07 0.000E+00 a 0 CB.A21 HA.A21 HB3.A21 108 64.230 0.889 4.043 1 U 2.267E+07 0.000E+00 a 0 CB.A21 - HB2.A21 109 64.230 8.021 4.038 1 U 4.671E+07 0.000E+00 a 0 CB.A21 H.A20 - 110 64.230 8.021 3.946 1 U 4.414E+07 0.000E+00 a 0 CB.A21 H.A20 HB3.A21 111 61.645 4.165 4.163 1 U 5.133E+08 0.000E+00 a 0 CA.A17 HA.A17 HA.A17 112 61.645 3.959 4.165 1 U 1.833E+08 0.000E+00 a 0 CA.A17 HB2.A17 HA.A17 112 61.645 3.959 4.165 1 U 1.833E+08 0.000E+00 a 0 CA.A17 - HA.A17 113 61.645 7.997 4.168 1 U 5.092E+07 0.000E+00 a 0 CA.A17 H.A17 HA.A17 114 61.645 8.144 4.170 1 U 1.735E+07 0.000E+00 a 0 CA.A17 H.A18 HA.A17 115 60.882 8.027 4.344 1 U 4.954E+07 0.000E+00 a 0 CA.A20 H.A20 HA.A20 116 60.882 7.579 4.344 1 U 2.544E+07 0.000E+00 a 0 CA.A20 H.A21 HA.A20 117 60.882 4.344 4.344 1 U 7.277E+08 0.000E+00 a 0 CA.A20 HA.A20 HA.A20 118 60.882 3.998 4.349 1 U 1.499E+08 0.000E+00 a 0 CA.A20 HB2.A20 HA.A20 118 60.882 3.998 4.349 1 U 1.499E+08 0.000E+00 a 0 CA.A20 - HA.A20 119 63.500 8.040 4.028 1 U 8.069E+07 0.000E+00 a 0 CB.A20 H.A20 HB2.A20 120 63.500 8.038 3.971 1 U 9.837E+07 0.000E+00 a 0 CB.A20 H.A20 HB3.A20 121 63.500 4.021 4.026 1 U 1.657E+09 0.000E+00 a 0 CB.A20 HB2.A20 HB2.A20 122 63.500 3.981 3.981 1 U 1.334E+09 0.000E+00 a 0 CB.A20 HB2.A20 HB3.A20 123 63.500 4.352 4.023 1 U 8.808E+07 0.000E+00 a 0 CB.A20 HA.A20 HB2.A20 124 63.500 4.359 3.979 1 U 8.849E+07 0.000E+00 a 0 CB.A20 HA.A20 HB3.A20 125 63.937 3.915 3.912 1 U 3.560E+09 0.000E+00 a 0 CB.A41 HB2.A41 HB2.A41 126 63.937 3.880 3.877 1 U 7.123E+09 0.000E+00 a 0 CB.A41 HB3.A41 HB3.A41 127 63.937 4.416 3.877 1 U 1.222E+08 0.000E+00 a 0 CB.A41 HA.A41 HB3.A41 128 63.937 5.096 3.874 1 U 1.826E+07 0.000E+00 a 0 CB.A41 - HB3.A41 129 62.846 4.041 4.036 1 U 1.870E+09 0.000E+00 a 0 CA.A40 HA.A40 HA.A40 130 62.846 4.369 4.028 1 U 7.609E+07 0.000E+00 a 0 CA.A40 HA.A41 HA.A40 131 62.846 7.845 4.038 1 U 4.948E+07 0.000E+00 a 0 CA.A40 H.A40 HA.A40 132 62.846 8.051 4.038 1 U 8.722E+07 0.000E+00 a 0 CA.A40 H.A41 HA.A40 133 62.846 2.071 4.041 1 U 4.681E+07 0.000E+00 a 0 CA.A40 HB.A40 HA.A40 134 62.846 0.894 4.038 1 U 8.632E+07 0.000E+00 a 0 CA.A40 - HA.A40 135 63.064 3.970 3.966 1 U 1.477E+09 0.000E+00 a 0 CB.A17 HB2.A17 HB2.A17 136 63.064 3.932 3.936 1 U 2.107E+09 0.000E+00 a 0 CB.A17 HB3.A17 HB3.A17 137 63.064 8.024 3.966 1 U 1.122E+08 0.000E+00 a 0 CB.A17 H.A17 HB2.A17 138 63.064 8.017 3.941 1 U 9.128E+07 0.000E+00 a 0 CB.A17 H.A17 HB3.A17 139 63.064 4.194 3.971 1 U 1.478E+08 0.000E+00 a 0 CB.A17 HA.A17 HB2.A17 140 63.064 4.199 3.944 1 U 1.315E+08 0.000E+00 a 0 CB.A17 HA.A17 HB3.A17 141 63.064 4.765 3.974 1 U 2.109E+07 0.000E+00 a 0 - - - 142 12.870 0.873 0.870 1 U 2.293E+09 0.000E+00 a 0 CD1.A30 QD1.A30 QD1.A30 143 12.870 1.731 0.868 1 U 1.219E+08 0.000E+00 a 0 CD1.A30 HB.A30 QD1.A30 144 12.870 2.205 0.870 1 U 1.127E+08 0.000E+00 a 0 CD1.A30 - QD1.A30 145 12.870 3.658 0.873 1 U 3.685E+07 0.000E+00 a 0 CD1.A30 HA.A30 QD1.A30 146 12.870 4.262 0.865 1 U 3.428E+07 0.000E+00 a 0 CD1.A30 - QD1.A30 147 12.870 7.121 0.870 1 U 2.462E+07 0.000E+00 a 0 - - - 148 13.634 8.141 0.980 1 U 3.849E+07 0.000E+00 a 0 CD1.A36 H.A36 QD1.A36 149 13.634 7.113 0.977 1 U 5.408E+07 0.000E+00 a 0 - - - 150 13.634 4.243 0.980 1 U 6.065E+07 0.000E+00 a 0 CD1.A36 - QD1.A36 151 13.634 3.761 0.977 1 U 4.949E+07 0.000E+00 a 0 CD1.A36 HA.A36 QD1.A36 152 13.634 3.488 0.975 1 U 1.546E+07 0.000E+00 a 0 - - - 153 13.634 3.009 0.982 1 U 1.401E+07 0.000E+00 a 0 - - - 154 13.634 1.264 0.975 1 U 1.385E+08 0.000E+00 a 0 CD1.A36 HG13.A36 QD1.A36 155 13.634 1.562 0.977 1 U 1.432E+08 0.000E+00 a 0 CD1.A36 HG12.A36 QD1.A36 156 13.634 1.776 0.980 1 U 1.013E+08 0.000E+00 a 0 CD1.A36 HB.A36 QD1.A36 157 12.870 7.715 0.873 1 U 3.935E+07 0.000E+00 a 0 CD1.A30 H.A30 QD1.A30 158 12.870 7.969 0.875 1 U 3.211E+07 0.000E+00 a 0 CD1.A30 H.A29 QD1.A30 159 12.870 1.078 0.870 1 U 1.722E+08 0.000E+00 a 0 - - - 160 13.634 0.972 0.975 1 U 2.187E+09 0.000E+00 a 0 CD1.A36 QD1.A36 QD1.A36 161 13.525 0.758 0.977 1 U 1.510E+08 0.000E+00 a 0 CD1.A36 QG2.A36 QD1.A36 162 17.672 0.771 0.766 1 U 3.293E+09 0.000E+00 a 0 CG2.A36 QG2.A36 QG2.A36 163 17.672 0.985 0.768 1 U 2.421E+08 0.000E+00 a 0 CG2.A36 QD1.A36 QG2.A36 164 17.672 1.261 0.766 1 U 4.338E+07 0.000E+00 a 0 CG2.A36 HG13.A36 QD1.A34 165 17.672 1.581 0.768 1 U 9.117E+07 0.000E+00 a 0 CG2.A36 HG12.A36 QG2.A36 166 17.453 4.247 0.768 1 U 5.755E+07 0.000E+00 a 0 CG2.A36 HA.A37 QG2.A36 167 17.453 6.763 0.771 1 U 3.713E+07 0.000E+00 a 0 CG2.A36 - QG2.A36 168 17.453 8.726 0.781 1 U 5.713E+07 0.000E+00 a 0 - - - 169 17.453 8.492 0.773 1 U 5.997E+07 0.000E+00 a 0 CG2.A36 H.A37 QG2.A36 170 17.453 7.117 0.778 1 U 1.017E+08 0.000E+00 a 0 - - - 171 17.597 3.778 0.761 1 U 7.500E+07 0.000E+00 a 0 CG2.A36 HA.A36 QG2.A36 172 17.597 1.743 0.776 1 U 1.646E+08 0.000E+00 a 0 CG2.A36 HB.A36 QG2.A36 173 18.108 0.776 0.788 1 U 2.841E+09 0.000E+00 a 0 CG2.A30 QG2.A30 QG2.A30 174 18.108 2.207 0.783 1 U 9.118E+07 0.000E+00 a 0 CG2.A30 - QG2.A30 175 18.108 7.117 0.786 1 U 9.789E+07 0.000E+00 a 0 - - - 176 18.108 8.712 0.783 1 U 5.894E+07 0.000E+00 a 0 CG2.A30 H.A31 QG2.A30 177 17.597 8.146 0.773 1 U 6.326E+07 0.000E+00 a 0 CG2.A36 H.A36 QG2.A36 178 28.072 1.269 1.268 1 U 1.447E+08 0.000E+00 a 0 CG1.A36 HG13.A36 HG13.A36 179 28.072 1.558 1.268 1 U 7.836E+07 0.000E+00 a 0 CG1.A36 HG12.A36 HG13.A36 180 28.072 1.563 1.561 1 U 6.744E+08 0.000E+00 a 0 CG1.A36 HG12.A36 HG12.A36 181 28.072 1.786 1.268 1 U 2.344E+07 0.000E+00 a 0 CG1.A36 HB.A36 HG13.A36 182 28.072 0.976 1.556 1 U 4.186E+07 0.000E+00 a 0 CG1.A36 QD1.A36 HG12.A36 183 28.072 0.976 1.263 1 U 5.097E+07 0.000E+00 a 0 CG1.A36 QD1.A36 HG13.A36 184 28.072 0.765 1.556 1 U 2.527E+07 0.000E+00 a 0 CG1.A36 QG2.A36 HG12.A36 185 28.072 0.772 1.265 1 U 2.272E+07 0.000E+00 a 0 CG1.A36 QG2.A36 HG13.A36 186 28.072 8.134 1.561 1 U 3.326E+07 0.000E+00 a 0 CG1.A36 H.A36 HG12.A36 187 28.072 8.131 1.263 1 U 2.422E+07 0.000E+00 a 0 CG1.A36 H.A36 HG13.A36 188 28.072 3.754 1.270 1 U 1.101E+07 0.000E+00 a 0 CG1.A36 HA.A36 HG13.A36 189 28.072 3.752 1.559 1 U 1.037E+07 0.000E+00 a 0 CG1.A36 HA.A36 HG12.A36 190 28.072 1.267 1.559 1 U 9.786E+07 0.000E+00 a 0 - - - 191 37.892 1.777 1.773 1 U 2.212E+08 0.000E+00 a 0 CB.A36 HB.A36 HB.A36 192 37.892 1.558 1.775 1 U 3.311E+07 0.000E+00 a 0 CB.A36 HG12.A36 HB.A36 193 37.892 1.256 1.773 1 U 1.691E+07 0.000E+00 a 0 CB.A36 HG13.A36 HB.A36 194 37.892 0.980 1.770 1 U 3.469E+07 0.000E+00 a 0 CB.A36 QD1.A36 HB.A36 195 37.892 0.763 1.775 1 U 4.576E+07 0.000E+00 a 0 CB.A36 QG2.A36 HB.A36 196 37.892 3.760 1.775 1 U 1.786E+07 0.000E+00 a 0 CB.A36 HA.A36 HB.A36 197 37.892 4.253 1.770 1 U 1.709E+07 0.000E+00 a 0 CB.A36 HA.A37 HB.A36 198 37.892 8.126 1.775 1 U 3.731E+07 0.000E+00 a 0 CB.A36 H.A36 HB.A36 199 37.892 2.410 1.770 1 U 1.435E+07 0.000E+00 a 0 CB.A36 - HB.A36 200 63.132 8.496 3.765 1 U 2.095E+07 0.000E+00 a 0 CA.A36 H.A37 HA.A36 201 63.132 3.769 3.762 1 U 2.691E+08 0.000E+00 a 0 CA.A36 HA.A36 HA.A36 202 63.132 8.133 3.770 1 U 1.930E+07 0.000E+00 a 0 CA.A36 H.A36 HA.A36 203 63.132 1.268 3.760 1 U 2.318E+07 0.000E+00 a 0 CA.A36 HG13.A36 HA.A36 204 63.132 0.789 3.762 1 U 5.746E+07 0.000E+00 a 0 CA.A36 QG2.A36 HA.A36 205 63.132 0.929 3.765 1 U 4.450E+07 0.000E+00 a 0 CA.A36 QD1.A36 HA.A36 206 63.132 1.589 3.767 1 U 3.896E+07 0.000E+00 a 0 CA.A36 HG12.A36 HA.A36 207 63.132 1.753 3.765 1 U 3.687E+07 0.000E+00 a 0 CA.A36 HB.A36 HA.A36 208 63.132 7.419 3.760 1 U 1.425E+07 0.000E+00 a 0 - - - 209 18.285 7.715 0.785 1 U 3.928E+07 0.000E+00 a 0 CG2.A30 H.A30 QG2.A30 210 18.251 1.482 1.483 1 U 3.794E+09 0.000E+00 a 0 CB.A10 QB.A10 QB.A10 211 18.251 2.741 1.485 1 U 3.840E+07 0.000E+00 a 0 CB.A10 - QB.A10 212 18.251 4.202 1.480 1 U 1.957E+08 0.000E+00 a 0 CB.A10 HA.A10 QB.A10 213 18.251 4.575 1.483 1 U 2.826E+07 0.000E+00 a 0 CB.A10 - QB.A10 214 18.251 7.913 1.483 1 U 2.833E+08 0.000E+00 a 0 CB.A10 H.A10 QB.A10 215 21.306 1.313 1.319 1 U 2.470E+09 0.000E+00 a 0 CG2.A22 QG2.A22 QG2.A22 216 21.077 0.909 1.313 1 U 9.290E+07 0.000E+00 a 0 CG2.A22 - QG2.A22 217 21.077 1.687 1.315 1 U 3.345E+07 0.000E+00 a 0 CG2.A22 - QG2.A22 218 21.306 0.893 0.886 1 U 7.270E+09 0.000E+00 a 0 CG2.A40 - - 219 21.306 2.172 1.314 1 U 4.131E+07 0.000E+00 a 0 CG2.A22 - QG2.A22 220 21.306 2.065 0.891 1 U 1.153E+08 0.000E+00 a 0 CG2.A40 HB.A40 - 221 21.306 4.131 1.319 1 U 1.037E+08 0.000E+00 a 0 CG2.A22 HB.A22 QG2.A22 222 21.306 4.305 1.321 1 U 8.660E+07 0.000E+00 a 0 CG2.A22 HA.A22 QG2.A22 223 21.306 4.039 0.894 1 U 7.984E+07 0.000E+00 a 0 CG2.A40 HA.A40 - 224 21.306 4.221 0.891 1 U 2.269E+07 0.000E+00 a 0 CG2.A40 - - 225 21.306 8.567 1.321 1 U 1.159E+08 0.000E+00 a 0 - - - 226 21.306 7.516 1.321 1 U 5.616E+07 0.000E+00 a 0 CG2.A22 H.A22 QG2.A22 227 21.306 7.792 1.319 1 U 5.903E+07 0.000E+00 a 0 CG2.A22 - QG2.A22 228 21.306 7.845 0.884 1 U 1.037E+08 0.000E+00 a 0 CG2.A40 H.A40 - 229 20.474 2.066 0.874 1 U 6.374E+07 0.000E+00 a 0 CG1.A40 HB.A40 QG1.A40 230 20.474 7.853 0.879 1 U 7.502E+07 0.000E+00 a 0 CG1.A40 H.A40 QG1.A40 231 20.474 0.873 0.879 1 U 3.387E+09 0.000E+00 a 0 CG1.A40 QG1.A40 QG1.A40 232 32.484 2.068 2.062 1 U 7.970E+08 0.000E+00 a 0 CB.A40 HB.A40 HB.A40 233 32.484 0.890 2.069 1 U 9.954E+07 0.000E+00 a 0 CB.A40 QG1.A40 HB.A40 234 32.484 4.032 2.072 1 U 3.553E+07 0.000E+00 a 0 CB.A40 HA.A40 HB.A40 235 32.484 7.842 2.074 1 U 4.500E+07 0.000E+00 a 0 CB.A40 H.A40 HB.A40 236 25.501 0.654 0.653 1 U 1.048E+09 0.000E+00 a 0 - - - 237 25.501 7.144 0.658 1 U 3.469E+07 0.000E+00 a 0 - - - 238 25.501 4.194 0.655 1 U 1.725E+07 0.000E+00 a 0 - - - 239 25.501 1.882 0.660 1 U 7.035E+07 0.000E+00 a 0 - - - 240 25.501 1.673 0.655 1 U 2.434E+07 0.000E+00 a 0 - - - 241 25.501 1.318 0.653 1 U 1.582E+07 0.000E+00 a 0 - - - 242 26.810 0.763 0.762 1 U 1.365E+09 0.000E+00 a 0 - - - 243 26.810 1.587 0.767 1 U 4.519E+07 0.000E+00 a 0 - - - 244 26.810 1.830 0.767 1 U 9.153E+07 0.000E+00 a 0 - - - 245 26.810 4.264 0.764 1 U 2.738E+07 0.000E+00 a 0 - - - 246 26.810 7.118 0.764 1 U 4.777E+07 0.000E+00 a 0 - - - 247 26.810 7.985 0.769 1 U 3.796E+07 0.000E+00 a 0 - - - 248 26.810 6.707 0.769 1 U 1.794E+07 0.000E+00 a 0 - - - 249 27.800 7.950 1.849 1 U 3.175E+07 0.000E+00 a 0 CG.A32 H.A32 HG2.A32 250 27.800 4.107 1.849 1 U 3.433E+07 0.000E+00 a 0 CG.A32 HA.A32 HG2.A32 251 27.800 4.123 1.562 1 U 3.578E+07 0.000E+00 a 0 CG.A32 HA.A32 HG3.A32 252 27.800 3.221 1.849 1 U 3.015E+07 0.000E+00 a 0 CG.A32 - HB2.A32 253 27.800 3.234 1.568 1 U 5.005E+07 0.000E+00 a 0 CG.A32 - HG3.A32 254 27.800 1.844 1.570 1 U 1.799E+08 0.000E+00 a 0 CG.A32 HG2.A32 HG3.A32 255 27.800 1.852 1.846 1 U 4.052E+08 0.000E+00 a 0 CG.A32 HG2.A32 HG2.A32 256 27.800 1.576 1.846 1 U 1.170E+08 0.000E+00 a 0 CG.A32 HG3.A32 HG2.A32 257 54.928 7.954 4.286 1 U 4.439E+07 0.000E+00 a 0 CA.A34 H.A34 HA.A34 258 54.928 4.284 4.286 1 U 4.428E+08 0.000E+00 a 0 CA.A34 HA.A34 HA.A34 259 54.928 1.831 4.284 1 U 5.052E+07 0.000E+00 a 0 CA.A34 HB2.A34 HA.A34 260 54.928 1.573 4.286 1 U 6.820E+07 0.000E+00 a 0 CA.A34 HB3.A34 HA.A34 261 54.928 0.788 4.284 1 U 1.370E+08 0.000E+00 a 0 CA.A34 QD1.A34 HA.A34 262 22.957 7.952 0.796 1 U 1.050E+08 0.000E+00 a 0 CD2.A34 H.A34 QD1.A34 263 22.957 8.371 0.799 1 U 1.252E+08 0.000E+00 a 0 - - - 264 22.957 8.734 0.791 1 U 1.043E+08 0.000E+00 a 0 - - - 265 22.957 4.283 0.791 1 U 1.256E+08 0.000E+00 a 0 CD2.A34 HA.A34 QD1.A34 266 22.957 4.026 0.805 1 U 1.985E+08 0.000E+00 a 0 CD2.A34 - QD1.A34 267 22.957 1.613 0.799 1 U 1.495E+08 0.000E+00 a 0 CD2.A34 HB3.A34 QD1.A34 268 22.957 1.772 0.794 1 U 2.503E+08 0.000E+00 a 0 - - - 269 22.957 1.909 0.794 1 U 1.651E+08 0.000E+00 a 0 - - - 270 22.957 0.806 0.805 1 U 7.683E+09 0.000E+00 a 0 CD2.A34 QD1.A34 QD1.A34 271 22.957 4.032 0.778 1 U -8.409E+05 0.000E+00 a 0 - - - 272 22.957 4.271 0.815 1 U 7.866E+07 0.000E+00 a 0 CD2.A34 HA.A34 QD1.A34 273 22.957 1.399 0.802 1 U 9.540E+07 0.000E+00 a 0 - - - 274 22.957 0.779 0.786 1 U 6.305E+09 0.000E+00 a 0 CD2.A34 QD2.A34 QD2.A34 275 22.957 7.115 0.783 1 U 9.311E+07 0.000E+00 a 0 - - - 276 55.255 4.449 4.442 1 U 5.499E+08 0.000E+00 a 0 CA.A23 HA.A23 HA.A23 277 55.255 8.583 4.447 1 U 5.661E+07 0.000E+00 a 0 CA.A23 H.A23 HA.A23 278 55.255 8.766 4.444 1 U 1.486E+08 0.000E+00 a 0 CA.A23 H.A24 HA.A23 279 55.255 2.752 4.447 1 U 9.314E+07 0.000E+00 a 0 CA.A23 HB2.A23 HA.A23 279 55.255 2.752 4.447 1 U 9.314E+07 0.000E+00 a 0 CA.A23 - HA.A23 280 55.255 2.342 4.447 1 U 1.562E+07 0.000E+00 a 0 CA.A23 QG.A24 HA.A23 281 55.255 2.094 4.447 1 U 2.088E+07 0.000E+00 a 0 CA.A23 HB3.A24 HA.A23 282 42.379 8.586 2.756 1 U 6.716E+07 0.000E+00 a 0 CB.A23 H.A23 HB2.A23 283 42.379 8.589 2.721 1 U 6.211E+07 0.000E+00 a 0 CB.A23 H.A23 HB3.A23 284 42.379 8.764 2.756 1 U 1.972E+07 0.000E+00 a 0 CB.A23 H.A24 HB2.A23 285 42.379 2.768 2.756 1 U 6.461E+08 0.000E+00 a 0 CB.A23 HB2.A23 HB2.A23 286 42.379 2.741 2.729 1 U 6.664E+08 0.000E+00 a 0 CB.A23 HB2.A23 HB2.A23 287 42.379 4.447 2.759 1 U 4.768E+07 0.000E+00 a 0 CB.A23 HA.A23 HB3.A23 288 42.379 4.444 2.727 1 U 4.850E+07 0.000E+00 a 0 CB.A23 HA.A23 HB2.A23 289 42.379 8.761 2.729 1 U 3.131E+07 0.000E+00 a 0 CB.A23 H.A24 HB3.A23 290 57.300 2.702 4.445 1 U 1.190E+08 0.000E+00 a 0 CA.A13 HB3.A13 HA.A13 291 57.300 2.840 4.443 1 U 9.263E+07 0.000E+00 a 0 CA.A13 HB2.A13 HA.A13 292 57.300 4.445 4.445 1 U 1.478E+09 0.000E+00 a 0 CA.A13 HA.A13 HA.A13 294 57.300 7.934 4.448 1 U 3.039E+07 0.000E+00 a 0 CA.A13 H.A14 HA.A13 295 57.300 8.383 4.448 1 U 7.807E+07 0.000E+00 a 0 CA.A13 H.A13 HA.A13 296 57.300 3.938 4.448 1 U 2.471E+07 0.000E+00 a 0 - - - 297 39.980 2.709 2.702 1 U 6.214E+08 0.000E+00 a 0 CB.A13 HB3.A13 HB3.A13 298 39.980 2.844 2.843 1 U 4.629E+08 0.000E+00 a 0 CB.A13 HB2.A13 HB2.A13 299 39.980 2.703 2.843 1 U 4.012E+08 0.000E+00 a 0 CB.A13 HB3.A13 HB2.A13 300 39.980 2.838 2.699 1 U 3.216E+08 0.000E+00 a 0 CB.A13 HB2.A13 HB3.A13 301 39.980 4.446 2.840 1 U 4.159E+07 0.000E+00 a 0 CB.A13 HA.A13 HB2.A13 302 39.980 4.448 2.702 1 U 5.362E+07 0.000E+00 a 0 - - - 303 39.980 4.216 2.843 1 U 3.436E+07 0.000E+00 a 0 CB.A13 HA.A10 HB2.A13 304 39.980 4.213 2.707 1 U 2.912E+07 0.000E+00 a 0 CB.A13 HA.A10 HB3.A13 305 39.980 8.385 2.840 1 U 6.056E+07 0.000E+00 a 0 CB.A13 H.A13 HB2.A13 306 39.980 8.382 2.705 1 U 4.870E+07 0.000E+00 a 0 CB.A13 H.A13 HB3.A13 307 39.980 7.933 2.840 1 U 2.945E+07 0.000E+00 a 0 CB.A13 H.A14 HB2.A13 308 39.980 7.933 2.713 1 U 2.333E+07 0.000E+00 a 0 CB.A13 H.A14 HB3.A13 309 54.800 4.202 4.202 1 U 1.227E+09 0.000E+00 a 0 CA.A10 HA.A10 HA.A10 310 54.800 7.916 4.194 1 U 8.642E+07 0.000E+00 a 0 CA.A10 H.A10 HA.A10 311 54.800 8.408 4.205 1 U 3.596E+07 0.000E+00 a 0 CA.A10 H.A13 HA.A10 312 54.800 1.507 4.202 1 U 2.334E+08 0.000E+00 a 0 CA.A10 QB.A10 HA.A10 313 54.910 2.846 4.202 1 U 4.681E+07 0.000E+00 a 0 CA.A10 HB2.A13 HA.A10 314 54.910 2.691 4.202 1 U 3.394E+07 0.000E+00 a 0 CA.A10 HB3.A13 HA.A10 315 57.900 4.166 4.162 1 U 7.913E+08 0.000E+00 a 0 CA.A18 HA.A18 HA.A18 316 57.900 8.123 4.160 1 U 4.460E+07 0.000E+00 a 0 CA.A18 H.A18 HA.A18 317 57.900 7.945 4.168 1 U 3.963E+07 0.000E+00 a 0 CA.A18 - HA.A18 318 57.900 8.738 4.179 1 U 2.412E+07 0.000E+00 a 0 CA.A18 H.A19 HA.A18 319 57.900 1.759 4.168 1 U 8.906E+07 0.000E+00 a 0 CA.A18 - HA.A18 320 57.900 0.880 4.168 1 U 8.538E+07 0.000E+00 a 0 CA.A18 QQD.A18 HA.A18 321 24.750 4.231 1.307 1 U 1.477E+07 0.000E+00 a 0 CG.A38 - HG3.A38 322 24.750 4.228 1.391 1 U 1.914E+07 0.000E+00 a 0 CG.A38 - HG2.A38 323 24.750 7.422 1.302 1 U 2.346E+07 0.000E+00 a 0 CG.A38 H.A38 HG3.A38 324 24.750 7.444 1.372 1 U 1.892E+07 0.000E+00 a 0 CG.A38 H.A38 HG2.A38 325 24.750 1.298 1.299 1 U 4.856E+08 0.000E+00 a 0 CG.A38 HG3.A38 HG3.A38 326 24.750 1.381 1.299 1 U 3.187E+08 0.000E+00 a 0 CG.A38 HG2.A38 HG3.A38 327 24.750 1.306 1.380 1 U 4.715E+08 0.000E+00 a 0 CG.A38 HG3.A38 HG2.A38 328 24.750 1.381 1.380 1 U 4.376E+08 0.000E+00 a 0 CG.A38 HG2.A38 HG2.A38 329 24.750 1.598 1.310 1 U 8.678E+07 0.000E+00 a 0 CG.A38 HD2.A38 HG3.A38 330 24.750 1.598 1.378 1 U 1.169E+08 0.000E+00 a 0 CG.A38 HD2.A38 HG2.A38 331 24.860 3.971 1.462 1 U 2.380E+07 0.000E+00 a 0 CG.A9 HA.A9 - 332 24.860 1.471 1.470 1 U 7.583E+08 0.000E+00 a 0 CG.A9 HG2.A9 HG2.A9 333 24.860 1.449 1.445 1 U 7.899E+08 0.000E+00 a 0 CG.A9 HG2.A9 - 334 24.860 1.877 1.472 1 U 5.576E+07 0.000E+00 a 0 CG.A9 QB.A9 - 335 24.860 1.880 1.453 1 U 4.150E+07 0.000E+00 a 0 CG.A9 QB.A9 - 336 24.860 1.696 1.470 1 U 1.010E+08 0.000E+00 a 0 CG.A9 - HG2.A9 337 24.860 1.696 1.445 1 U 9.614E+07 0.000E+00 a 0 CG.A9 - - 338 24.860 8.071 1.464 1 U 1.939E+07 0.000E+00 a 0 CG.A9 H.A9 - 339 43.470 4.113 3.234 1 U 1.800E+07 0.000E+00 a 0 CD.A32 HA.A32 HD3.A32 340 43.470 4.102 3.183 1 U 1.482E+07 0.000E+00 a 0 CD.A32 HA.A32 HD3.A32 341 43.500 1.874 3.237 1 U 6.134E+07 0.000E+00 a 0 - - - 342 43.470 1.871 3.197 1 U 6.081E+07 0.000E+00 a 0 - - HD3.A32 343 43.470 1.568 3.245 1 U 3.670E+07 0.000E+00 a 0 - - HD3.A32 344 43.470 1.562 3.197 1 U 3.231E+07 0.000E+00 a 0 - - HD3.A32 345 43.470 3.247 3.248 1 U 1.007E+09 0.000E+00 a 0 CD.A32 - - 346 43.470 3.199 3.197 1 U 7.639E+08 0.000E+00 a 0 CD.A32 - HD3.A32 347 43.470 3.250 3.197 1 U 8.764E+08 0.000E+00 a 0 CD.A32 - HD3.A32 348 43.470 3.193 3.245 1 U 8.436E+08 0.000E+00 a 0 CD.A32 HD3.A32 - 349 43.470 7.920 3.226 1 U 1.919E+07 0.000E+00 a 0 - - - 350 43.200 1.863 1.872 1 U 1.108E+08 0.000E+00 a 0 CB.A34 HB2.A34 HB2.A34 351 43.200 1.600 1.601 1 U 1.478E+08 0.000E+00 a 0 CB.A34 HB3.A34 HB3.A34 352 43.200 1.859 1.610 1 U 8.476E+07 0.000E+00 a 0 CB.A34 HB2.A34 HB3.A34 353 43.200 1.579 1.872 1 U 8.266E+07 0.000E+00 a 0 CB.A34 HB3.A34 HB2.A34 354 43.200 4.264 1.867 1 U 2.111E+07 0.000E+00 a 0 CB.A34 HA.A34 HB2.A34 355 43.200 4.256 1.588 1 U 2.421E+07 0.000E+00 a 0 CB.A34 HA.A34 HB3.A34 356 43.200 7.954 1.867 1 U 3.015E+07 0.000E+00 a 0 CB.A34 H.A34 HB2.A34 357 43.200 7.956 1.585 1 U 1.523E+07 0.000E+00 a 0 CB.A34 H.A34 HB3.A34 358 43.200 0.786 1.864 1 U 5.951E+07 0.000E+00 a 0 CB.A34 - HB2.A34 359 43.200 0.780 1.601 1 U 6.612E+07 0.000E+00 a 0 CB.A34 - HB3.A34 360 55.000 8.495 3.810 1 U 3.721E+07 0.000E+00 a 0 - - - 361 55.000 7.452 3.813 1 U 2.164E+07 0.000E+00 a 0 - - - 362 55.000 2.491 3.808 1 U 6.811E+07 0.000E+00 a 0 CA.A37 HB2.A37 HA.A37 363 55.000 2.316 3.813 1 U 5.469E+07 0.000E+00 a 0 CA.A37 HB3.A37 HA.A37 364 55.000 3.804 3.816 1 U 3.144E+08 0.000E+00 a 0 CA.A37 HA.A37 HA.A37 365 39.435 2.497 2.495 1 U 2.538E+08 0.000E+00 a 0 CB.A37 HB2.A37 HB2.A37 366 39.435 2.319 2.319 1 U 1.959E+08 0.000E+00 a 0 CB.A37 HB3.A37 HB3.A37 367 39.435 2.492 2.319 1 U 1.626E+08 0.000E+00 a 0 - - - 368 39.435 2.316 2.498 1 U 2.000E+08 0.000E+00 a 0 CB.A37 HB3.A37 HB2.A37 369 39.435 3.808 2.501 1 U 5.000E+07 0.000E+00 a 0 CB.A37 HA.A37 HB2.A37 370 39.435 3.808 2.319 1 U 3.972E+07 0.000E+00 a 0 CB.A37 HA.A37 HB3.A37 371 39.435 8.495 2.490 1 U 2.750E+07 0.000E+00 a 0 CB.A37 H.A37 HB2.A37 372 39.435 8.492 2.314 1 U 1.797E+07 0.000E+00 a 0 CB.A37 H.A37 HB3.A37 373 57.300 4.331 4.325 1 U 3.599E+09 0.000E+00 a 0 CA.A3 HA.A3 HA.A3 374 57.190 4.774 4.322 1 U 2.632E+07 0.000E+00 a 0 CA.A3 HG.A4 HA.A3 375 57.190 2.098 4.327 1 U 9.435E+07 0.000E+00 a 0 CA.A3 HB2.A3 HA.A3 376 57.190 2.014 4.325 1 U 5.632E+07 0.000E+00 a 0 CA.A3 HB3.A3 HA.A3 377 29.250 7.941 2.139 1 U 1.168E+08 0.000E+00 a 0 - - - 378 29.250 4.326 2.136 1 U 6.721E+07 0.000E+00 a 0 - - - 379 29.250 4.329 2.001 1 U 4.982E+07 0.000E+00 a 0 - - - 380 32.490 7.446 1.857 1 U 2.644E+07 0.000E+00 a 0 CB.A38 H.A38 HB2.A38 381 32.490 7.441 1.671 1 U 2.997E+07 0.000E+00 a 0 CB.A38 H.A38 HB2.A39 382 32.490 4.218 1.855 1 U 3.868E+07 0.000E+00 a 0 CB.A38 HA.A38 HB2.A38 383 32.490 4.218 1.681 1 U 2.263E+07 0.000E+00 a 0 CB.A38 HA.A39 HB2.A39 384 32.490 1.850 1.849 1 U 5.579E+08 0.000E+00 a 0 CB.A38 HB2.A38 HB2.A38 385 32.490 1.853 1.679 1 U 1.733E+08 0.000E+00 a 0 CB.A38 HB2.A38 HB3.A38 386 32.490 1.688 1.852 1 U 2.334E+08 0.000E+00 a 0 CB.A38 HB3.A38 HB2.A38 387 32.490 1.679 1.681 1 U 2.830E+08 0.000E+00 a 0 CB.A38 HB3.A38 HB3.A38 388 32.490 1.366 1.681 1 U 3.157E+07 0.000E+00 a 0 CB.A38 HG2.A38 HB3.A38 389 32.490 1.357 1.852 1 U 4.566E+07 0.000E+00 a 0 CB.A38 HG2.A38 HB2.A38 390 32.130 1.878 1.882 1 U 1.118E+09 0.000E+00 a 0 CB.A9 QB.A9 QB.A9 391 32.130 1.464 1.882 1 U 8.995E+07 0.000E+00 a 0 - - QB.A9 392 32.130 3.975 1.882 1 U 7.065E+07 0.000E+00 a 0 CB.A9 HA.A9 QB.A9 393 32.130 8.060 1.890 1 U 1.015E+08 0.000E+00 a 0 CB.A9 H.A9 QB.A9 394 32.130 7.927 1.887 1 U 5.743E+07 0.000E+00 a 0 CB.A9 H.A10 QB.A9 395 31.790 8.598 2.206 1 U 2.936E+07 0.000E+00 a 0 CB.A25 H.A25 HB2.A25 396 31.790 8.592 2.093 1 U 3.215E+07 0.000E+00 a 0 CB.A25 H.A25 HB3.A25 397 31.790 4.351 2.206 1 U 2.912E+07 0.000E+00 a 0 CB.A25 HA.A25 HB2.A25 398 31.790 4.351 2.093 1 U 3.135E+07 0.000E+00 a 0 CB.A25 HA.A25 HB3.A25 399 31.790 2.203 2.201 1 U 2.604E+08 0.000E+00 a 0 CB.A25 HB2.A25 HB2.A25 400 31.790 2.103 2.103 1 U 4.038E+08 0.000E+00 a 0 CB.A25 HB3.A25 HB3.A25 401 31.790 2.108 2.206 1 U 2.601E+08 0.000E+00 a 0 CB.A25 HB3.A25 HB2.A25 402 31.790 2.203 2.101 1 U 2.736E+08 0.000E+00 a 0 CB.A25 HB2.A25 HB3.A25 403 30.350 1.893 1.887 1 U 5.425E+08 0.000E+00 a 0 CB.A32 - - 404 30.350 1.571 1.890 1 U 5.635E+07 0.000E+00 a 0 CB.A32 - - 405 30.350 3.226 1.887 1 U 2.920E+07 0.000E+00 a 0 CB.A32 - - 406 30.350 4.115 1.887 1 U 6.308E+07 0.000E+00 a 0 CB.A32 HA.A32 - 407 30.350 7.950 1.890 1 U 7.063E+07 0.000E+00 a 0 CB.A32 H.A32 - 408 27.800 7.948 1.570 1 U 3.299E+07 0.000E+00 a 0 CG.A32 H.A32 HG3.A32 409 27.800 1.576 1.584 1 U 1.037E+09 0.000E+00 a 0 CG.A32 HG3.A32 HG3.A32 411 32.480 8.595 2.601 1 U 2.940E+07 0.000E+00 a 0 CG.A25 H.A25 HG3.A25 412 32.480 8.595 2.723 1 U 2.107E+07 0.000E+00 a 0 CG.A25 H.A25 HG2.A25 413 32.480 4.356 2.606 1 U 1.560E+07 0.000E+00 a 0 CG.A25 - HG3.A25 414 32.480 2.720 2.720 1 U 6.258E+08 0.000E+00 a 0 CG.A25 HG2.A25 HG2.A25 415 32.480 2.604 2.604 1 U 6.378E+08 0.000E+00 a 0 CG.A25 HG3.A25 HG3.A25 416 32.480 2.723 2.595 1 U 4.190E+08 0.000E+00 a 0 CG.A25 HG2.A25 HG3.A25 417 32.480 2.574 2.723 1 U 3.465E+08 0.000E+00 a 0 CG.A25 HG3.A25 HG2.A25 418 32.480 2.149 2.717 1 U 3.923E+07 0.000E+00 a 0 CG.A25 HB3.A25 HG2.A25 419 32.480 2.152 2.601 1 U 4.255E+07 0.000E+00 a 0 CG.A25 HB3.A25 HG3.A25 420 34.450 7.912 2.609 1 U 4.301E+07 0.000E+00 a 0 - - - 421 34.450 7.904 2.355 1 U 7.082E+07 0.000E+00 a 0 - - - 422 34.450 7.190 2.614 1 U 3.887E+07 0.000E+00 a 0 - - - 423 34.450 4.072 2.328 1 U 6.396E+07 0.000E+00 a 0 - - - 424 34.450 4.075 2.612 1 U 4.044E+07 0.000E+00 a 0 - - - 425 34.450 2.613 2.609 1 U 4.248E+08 0.000E+00 a 0 - - - 426 34.450 2.613 2.330 1 U 1.510E+08 0.000E+00 a 0 - - - 427 34.450 2.324 2.328 1 U 1.013E+09 0.000E+00 a 0 - - - 428 34.450 2.326 2.612 1 U 2.288E+08 0.000E+00 a 0 - - - 429 34.450 2.121 2.614 1 U 3.503E+07 0.000E+00 a 0 - - - 430 34.450 2.075 2.328 1 U 1.247E+08 0.000E+00 a 0 - - - 431 34.450 8.332 2.614 1 U 1.762E+07 0.000E+00 a 0 - - - 432 34.450 6.845 2.617 1 U 1.521E+07 0.000E+00 a 0 - - - 433 40.000 2.400 2.409 1 U 1.310E+08 0.000E+00 a 0 CB.A31 HB3.A31 HB3.A31 436 40.000 4.241 2.401 1 U 4.410E+07 0.000E+00 a 0 CB.A31 HA.A31 HB3.A31 437 40.000 3.003 2.398 1 U 8.661E+07 0.000E+00 a 0 CB.A31 - HB3.A31 438 40.000 1.787 2.403 1 U 1.631E+07 0.000E+00 a 0 CB.A31 - HB3.A31 439 40.000 7.934 2.406 1 U 2.006E+07 0.000E+00 a 0 CB.A31 H.A32 HB3.A31 440 40.000 8.733 2.406 1 U 1.016E+07 0.000E+00 a 0 CB.A31 H.A31 HB3.A31 441 42.200 1.664 3.004 1 U 3.084E+07 0.000E+00 a 0 CB.A39 QD.A9 - 442 42.200 1.621 2.953 1 U 1.891E+07 0.000E+00 a 0 CB.A39 HD2.A38 QE.A38 443 42.200 3.008 3.004 1 U 4.410E+09 0.000E+00 a 0 CE.A9 - - 444 42.200 2.957 2.961 1 U 4.639E+09 0.000E+00 a 0 CE.A38 QE.A38 QE.A38 445 26.454 0.937 0.939 1 U 1.876E+09 0.000E+00 a 0 - - - 446 26.454 1.319 0.934 1 U 2.841E+07 0.000E+00 a 0 - - - 447 26.454 1.572 0.931 1 U 7.304E+07 0.000E+00 a 0 - - - 448 26.454 1.728 0.934 1 U 9.534E+07 0.000E+00 a 0 - - - 449 26.454 4.057 0.934 1 U 4.758E+07 0.000E+00 a 0 - - - 450 26.454 4.236 0.936 1 U 2.843E+07 0.000E+00 a 0 - - - 451 26.454 7.077 0.936 1 U 2.818E+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 H . . 10 ppm . . . 4.7 . . 34188 1 2 . . H 1 H . . 10 ppm . . . 4.7 . . 34188 1 3 . . N/C 15 N . . 20 ppm . . . 118 . . 34188 1 stop_ save_