data_53039 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53039 _Entry.Title ; Homo sapiens UPF2 (1015-1106) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-04-17 _Entry.Accession_date 2025-04-17 _Entry.Last_release_date 2025-04-17 _Entry.Original_release_date 2025-04-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _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 . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Acidic linker of human UPF2' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Cecilia Perez-Borrajero . . . 0000-0002-3167-7159 53039 2 Janosch Hennig . . . 0000-0001-5214-7002 53039 3 Sutapa Chakrabarti . . . 0000-0002-9877-173X 53039 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'European Molecular Biology Laboratory' . 53039 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53039 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 182 53039 '15N chemical shifts' 94 53039 '1H chemical shifts' 95 53039 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2025-12-08 . original BMRB . 53039 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53039 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Homo sapiens UPF2 1015-1106 ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Cecilia Perez-Borrajero . . . 0000-0002-3167-7159 53039 1 2 Janosch Hennig . . . 0000-0001-5214-7002 53039 1 3 Sutapa Chakrabarti . . . 0000-0002-9877-173X 53039 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53039 _Assembly.ID 1 _Assembly.Name UPF2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 UPF2 1 $entity_1 . . yes native no no . . . 53039 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53039 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAASMNDKDSKDSMTEGENL EEDEEEEEGGAETEEQSGNE SEVNEPEEEEGSDNDDDEGE EEEEENTDYLTDSNKENETD EENTEVMIKGGGLKHVP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; N-terminal residual tag present (GAASM). The native sequence starts with NDK (residues 1015-1017) and ends with HVP (residues 1104-1106). ; _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes NCBI 26019 . UPF2 . . . . . . . . . . . . . . 53039 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'regulator of nonsense mediated mRNA decay' 53039 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1010 GLY . 53039 1 2 1011 ALA . 53039 1 3 1012 ALA . 53039 1 4 1013 SER . 53039 1 5 1014 MET . 53039 1 6 1015 ASN . 53039 1 7 1016 ASP . 53039 1 8 1017 LYS . 53039 1 9 1018 ASP . 53039 1 10 1019 SER . 53039 1 11 1020 LYS . 53039 1 12 1021 ASP . 53039 1 13 1022 SER . 53039 1 14 1023 MET . 53039 1 15 1024 THR . 53039 1 16 1025 GLU . 53039 1 17 1026 GLY . 53039 1 18 1027 GLU . 53039 1 19 1028 ASN . 53039 1 20 1029 LEU . 53039 1 21 1030 GLU . 53039 1 22 1031 GLU . 53039 1 23 1032 ASP . 53039 1 24 1033 GLU . 53039 1 25 1034 GLU . 53039 1 26 1035 GLU . 53039 1 27 1036 GLU . 53039 1 28 1037 GLU . 53039 1 29 1038 GLY . 53039 1 30 1039 GLY . 53039 1 31 1040 ALA . 53039 1 32 1041 GLU . 53039 1 33 1042 THR . 53039 1 34 1043 GLU . 53039 1 35 1044 GLU . 53039 1 36 1045 GLN . 53039 1 37 1046 SER . 53039 1 38 1047 GLY . 53039 1 39 1048 ASN . 53039 1 40 1049 GLU . 53039 1 41 1050 SER . 53039 1 42 1051 GLU . 53039 1 43 1052 VAL . 53039 1 44 1053 ASN . 53039 1 45 1054 GLU . 53039 1 46 1055 PRO . 53039 1 47 1056 GLU . 53039 1 48 1057 GLU . 53039 1 49 1058 GLU . 53039 1 50 1059 GLU . 53039 1 51 1060 GLY . 53039 1 52 1061 SER . 53039 1 53 1062 ASP . 53039 1 54 1063 ASN . 53039 1 55 1064 ASP . 53039 1 56 1065 ASP . 53039 1 57 1066 ASP . 53039 1 58 1067 GLU . 53039 1 59 1068 GLY . 53039 1 60 1069 GLU . 53039 1 61 1070 GLU . 53039 1 62 1071 GLU . 53039 1 63 1072 GLU . 53039 1 64 1073 GLU . 53039 1 65 1074 GLU . 53039 1 66 1075 ASN . 53039 1 67 1076 THR . 53039 1 68 1077 ASP . 53039 1 69 1078 TYR . 53039 1 70 1079 LEU . 53039 1 71 1080 THR . 53039 1 72 1081 ASP . 53039 1 73 1082 SER . 53039 1 74 1083 ASN . 53039 1 75 1084 LYS . 53039 1 76 1085 GLU . 53039 1 77 1086 ASN . 53039 1 78 1087 GLU . 53039 1 79 1088 THR . 53039 1 80 1089 ASP . 53039 1 81 1090 GLU . 53039 1 82 1091 GLU . 53039 1 83 1092 ASN . 53039 1 84 1093 THR . 53039 1 85 1094 GLU . 53039 1 86 1095 VAL . 53039 1 87 1096 MET . 53039 1 88 1097 ILE . 53039 1 89 1098 LYS . 53039 1 90 1099 GLY . 53039 1 91 1100 GLY . 53039 1 92 1101 GLY . 53039 1 93 1102 LEU . 53039 1 94 1103 LYS . 53039 1 95 1104 HIS . 53039 1 96 1105 VAL . 53039 1 97 1106 PRO . 53039 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 53039 1 . ALA 2 2 53039 1 . ALA 3 3 53039 1 . SER 4 4 53039 1 . MET 5 5 53039 1 . ASN 6 6 53039 1 . ASP 7 7 53039 1 . LYS 8 8 53039 1 . ASP 9 9 53039 1 . SER 10 10 53039 1 . LYS 11 11 53039 1 . ASP 12 12 53039 1 . SER 13 13 53039 1 . MET 14 14 53039 1 . THR 15 15 53039 1 . GLU 16 16 53039 1 . GLY 17 17 53039 1 . GLU 18 18 53039 1 . ASN 19 19 53039 1 . LEU 20 20 53039 1 . GLU 21 21 53039 1 . GLU 22 22 53039 1 . ASP 23 23 53039 1 . GLU 24 24 53039 1 . GLU 25 25 53039 1 . GLU 26 26 53039 1 . GLU 27 27 53039 1 . GLU 28 28 53039 1 . GLY 29 29 53039 1 . GLY 30 30 53039 1 . ALA 31 31 53039 1 . GLU 32 32 53039 1 . THR 33 33 53039 1 . GLU 34 34 53039 1 . GLU 35 35 53039 1 . GLN 36 36 53039 1 . SER 37 37 53039 1 . GLY 38 38 53039 1 . ASN 39 39 53039 1 . GLU 40 40 53039 1 . SER 41 41 53039 1 . GLU 42 42 53039 1 . VAL 43 43 53039 1 . ASN 44 44 53039 1 . GLU 45 45 53039 1 . PRO 46 46 53039 1 . GLU 47 47 53039 1 . GLU 48 48 53039 1 . GLU 49 49 53039 1 . GLU 50 50 53039 1 . GLY 51 51 53039 1 . SER 52 52 53039 1 . ASP 53 53 53039 1 . ASN 54 54 53039 1 . ASP 55 55 53039 1 . ASP 56 56 53039 1 . ASP 57 57 53039 1 . GLU 58 58 53039 1 . GLY 59 59 53039 1 . GLU 60 60 53039 1 . GLU 61 61 53039 1 . GLU 62 62 53039 1 . GLU 63 63 53039 1 . GLU 64 64 53039 1 . GLU 65 65 53039 1 . ASN 66 66 53039 1 . THR 67 67 53039 1 . ASP 68 68 53039 1 . TYR 69 69 53039 1 . LEU 70 70 53039 1 . THR 71 71 53039 1 . ASP 72 72 53039 1 . SER 73 73 53039 1 . ASN 74 74 53039 1 . LYS 75 75 53039 1 . GLU 76 76 53039 1 . ASN 77 77 53039 1 . GLU 78 78 53039 1 . THR 79 79 53039 1 . ASP 80 80 53039 1 . GLU 81 81 53039 1 . GLU 82 82 53039 1 . ASN 83 83 53039 1 . THR 84 84 53039 1 . GLU 85 85 53039 1 . VAL 86 86 53039 1 . MET 87 87 53039 1 . ILE 88 88 53039 1 . LYS 89 89 53039 1 . GLY 90 90 53039 1 . GLY 91 91 53039 1 . GLY 92 92 53039 1 . LEU 93 93 53039 1 . LYS 94 94 53039 1 . HIS 95 95 53039 1 . VAL 96 96 53039 1 . PRO 97 97 53039 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53039 _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 . . . . . . . . . . . . . 53039 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53039 _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' . . . Escherichia coli . . . plasmid . . pET28a . . . 53039 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53039 _Sample.ID 1 _Sample.Name 'UPF2 1015-1106 13C/15N labeled' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 'Homo sapiens UPF2' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 550 300 800 uM . . . . 53039 1 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 53039 1 3 'sodium azide' 'natural abundance' . . . . . . 0.2 . . % . . . . 53039 1 4 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 53039 1 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 53039 1 6 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 53039 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 53039 _Sample_condition_list.ID 1 _Sample_condition_list.Name Standard _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 53039 1 pH 7.0 . pH 53039 1 pressure 1 . atm 53039 1 temperature 298 . K 53039 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53039 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53039 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53039 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53039 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53039 _Software.ID 3 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53039 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 53039 _Software.ID 4 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53039 4 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 53039 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance 800 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53039 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53039 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53039 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53039 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53039 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 53039 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Solvent signal (2H)' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 internal indirect . . . . . . 53039 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 53039 1 N 15 water protons . . . . ppm 4.7 internal indirect . . . . . . 53039 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 53039 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'UPF2 (1015-1106) backbone' _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 '2D 1H-15N HSQC' . . . 53039 1 2 '3D CBCA(CO)NH' . . . 53039 1 3 '3D HNCA' . . . 53039 1 4 '3D HNCACB' . . . 53039 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53039 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 ALA CA C 13 52.921 0 . . . . . . . 1011 ALA CA . 53039 1 2 . 1 . 1 2 2 ALA CB C 13 19.73 0 . . . . . . . 1011 ALA CB . 53039 1 3 . 1 . 1 3 3 ALA H H 1 8.411 0.001 . . . . . . . 1012 ALA H . 53039 1 4 . 1 . 1 3 3 ALA CA C 13 52.895 0.023 . . . . . . . 1012 ALA CA . 53039 1 5 . 1 . 1 3 3 ALA CB C 13 19.491 0.005 . . . . . . . 1012 ALA CB . 53039 1 6 . 1 . 1 3 3 ALA N N 15 123.457 0.043 . . . . . . . 1012 ALA N . 53039 1 7 . 1 . 1 4 4 SER H H 1 8.205 0.002 . . . . . . . 1013 SER H . 53039 1 8 . 1 . 1 4 4 SER CA C 13 58.554 0.058 . . . . . . . 1013 SER CA . 53039 1 9 . 1 . 1 4 4 SER CB C 13 64.083 0.013 . . . . . . . 1013 SER CB . 53039 1 10 . 1 . 1 4 4 SER N N 15 114.806 0.022 . . . . . . . 1013 SER N . 53039 1 11 . 1 . 1 5 5 MET H H 1 8.362 0.003 . . . . . . . 1014 MET H . 53039 1 12 . 1 . 1 5 5 MET CA C 13 56.01 0.051 . . . . . . . 1014 MET CA . 53039 1 13 . 1 . 1 5 5 MET CB C 13 32.944 0 . . . . . . . 1014 MET CB . 53039 1 14 . 1 . 1 5 5 MET N N 15 121.98 0.041 . . . . . . . 1014 MET N . 53039 1 15 . 1 . 1 6 6 ASN H H 1 8.335 0.002 . . . . . . . 1015 ASN H . 53039 1 16 . 1 . 1 6 6 ASN CA C 13 53.608 0.017 . . . . . . . 1015 ASN CA . 53039 1 17 . 1 . 1 6 6 ASN CB C 13 39.464 0 . . . . . . . 1015 ASN CB . 53039 1 18 . 1 . 1 6 6 ASN N N 15 119.132 0.02 . . . . . . . 1015 ASN N . 53039 1 19 . 1 . 1 7 7 ASP H H 1 8.22 0.001 . . . . . . . 1016 ASP H . 53039 1 20 . 1 . 1 7 7 ASP CA C 13 54.825 0.01 . . . . . . . 1016 ASP CA . 53039 1 21 . 1 . 1 7 7 ASP CB C 13 41.421 0.05 . . . . . . . 1016 ASP CB . 53039 1 22 . 1 . 1 7 7 ASP N N 15 120.859 0.01 . . . . . . . 1016 ASP N . 53039 1 23 . 1 . 1 8 8 LYS H H 1 8.154 0.001 . . . . . . . 1017 LYS H . 53039 1 24 . 1 . 1 8 8 LYS CA C 13 57.041 0.018 . . . . . . . 1017 LYS CA . 53039 1 25 . 1 . 1 8 8 LYS CB C 13 33.099 0.043 . . . . . . . 1017 LYS CB . 53039 1 26 . 1 . 1 8 8 LYS N N 15 120.914 0.015 . . . . . . . 1017 LYS N . 53039 1 27 . 1 . 1 9 9 ASP H H 1 8.246 0.004 . . . . . . . 1018 ASP H . 53039 1 28 . 1 . 1 9 9 ASP CA C 13 54.874 0.019 . . . . . . . 1018 ASP CA . 53039 1 29 . 1 . 1 9 9 ASP CB C 13 41.602 0.009 . . . . . . . 1018 ASP CB . 53039 1 30 . 1 . 1 9 9 ASP N N 15 120.71 0.033 . . . . . . . 1018 ASP N . 53039 1 31 . 1 . 1 10 10 SER H H 1 8.071 0 . . . . . . . 1019 SER H . 53039 1 32 . 1 . 1 10 10 SER CA C 13 58.897 0.016 . . . . . . . 1019 SER CA . 53039 1 33 . 1 . 1 10 10 SER CB C 13 64.03 0 . . . . . . . 1019 SER CB . 53039 1 34 . 1 . 1 10 10 SER N N 15 116.114 0.009 . . . . . . . 1019 SER N . 53039 1 35 . 1 . 1 11 11 LYS H H 1 8.304 0.001 . . . . . . . 1020 LYS H . 53039 1 36 . 1 . 1 11 11 LYS CA C 13 57.008 0.017 . . . . . . . 1020 LYS CA . 53039 1 37 . 1 . 1 11 11 LYS CB C 13 33.039 0 . . . . . . . 1020 LYS CB . 53039 1 38 . 1 . 1 11 11 LYS N N 15 123.03 0.021 . . . . . . . 1020 LYS N . 53039 1 39 . 1 . 1 12 12 ASP H H 1 8.24 0.002 . . . . . . . 1021 ASP H . 53039 1 40 . 1 . 1 12 12 ASP CA C 13 54.966 0.019 . . . . . . . 1021 ASP CA . 53039 1 41 . 1 . 1 12 12 ASP CB C 13 41.535 0.028 . . . . . . . 1021 ASP CB . 53039 1 42 . 1 . 1 12 12 ASP N N 15 120.834 0.054 . . . . . . . 1021 ASP N . 53039 1 43 . 1 . 1 13 13 SER H H 1 8.107 0.001 . . . . . . . 1022 SER H . 53039 1 44 . 1 . 1 13 13 SER CA C 13 58.908 0.022 . . . . . . . 1022 SER CA . 53039 1 45 . 1 . 1 13 13 SER CB C 13 64.051 0.007 . . . . . . . 1022 SER CB . 53039 1 46 . 1 . 1 13 13 SER N N 15 115.641 0.011 . . . . . . . 1022 SER N . 53039 1 47 . 1 . 1 14 14 MET H H 1 8.317 0.001 . . . . . . . 1023 MET H . 53039 1 48 . 1 . 1 14 14 MET CA C 13 56.047 0.022 . . . . . . . 1023 MET CA . 53039 1 49 . 1 . 1 14 14 MET CB C 13 33.082 0.04 . . . . . . . 1023 MET CB . 53039 1 50 . 1 . 1 14 14 MET N N 15 121.914 0.017 . . . . . . . 1023 MET N . 53039 1 51 . 1 . 1 15 15 THR H H 1 8.099 0.001 . . . . . . . 1024 THR H . 53039 1 52 . 1 . 1 15 15 THR CA C 13 62.235 0.01 . . . . . . . 1024 THR CA . 53039 1 53 . 1 . 1 15 15 THR CB C 13 70.027 0 . . . . . . . 1024 THR CB . 53039 1 54 . 1 . 1 15 15 THR N N 15 115.096 0.011 . . . . . . . 1024 THR N . 53039 1 55 . 1 . 1 16 16 GLU H H 1 8.376 0.004 . . . . . . . 1025 GLU H . 53039 1 56 . 1 . 1 16 16 GLU CA C 13 57.003 0 . . . . . . . 1025 GLU CA . 53039 1 57 . 1 . 1 16 16 GLU CB C 13 30.749 0 . . . . . . . 1025 GLU CB . 53039 1 58 . 1 . 1 16 16 GLU N N 15 123.535 0.012 . . . . . . . 1025 GLU N . 53039 1 59 . 1 . 1 17 17 GLY H H 1 8.35 0 . . . . . . . 1026 GLY H . 53039 1 60 . 1 . 1 17 17 GLY CA C 13 45.506 0 . . . . . . . 1026 GLY CA . 53039 1 61 . 1 . 1 17 17 GLY N N 15 110.059 0.017 . . . . . . . 1026 GLY N . 53039 1 62 . 1 . 1 18 18 GLU H H 1 8.163 0 . . . . . . . 1027 GLU H . 53039 1 63 . 1 . 1 18 18 GLU CA C 13 56.675 0.009 . . . . . . . 1027 GLU CA . 53039 1 64 . 1 . 1 18 18 GLU CB C 13 30.951 0.026 . . . . . . . 1027 GLU CB . 53039 1 65 . 1 . 1 18 18 GLU N N 15 120.19 0.012 . . . . . . . 1027 GLU N . 53039 1 66 . 1 . 1 19 19 ASN H H 1 8.504 0.002 . . . . . . . 1028 ASN H . 53039 1 67 . 1 . 1 19 19 ASN CA C 13 53.435 0.019 . . . . . . . 1028 ASN CA . 53039 1 68 . 1 . 1 19 19 ASN CB C 13 39.175 0.008 . . . . . . . 1028 ASN CB . 53039 1 69 . 1 . 1 19 19 ASN N N 15 119.893 0.01 . . . . . . . 1028 ASN N . 53039 1 70 . 1 . 1 20 20 LEU H H 1 8.282 0 . . . . . . . 1029 LEU H . 53039 1 71 . 1 . 1 20 20 LEU CA C 13 55.4 0.022 . . . . . . . 1029 LEU CA . 53039 1 72 . 1 . 1 20 20 LEU CB C 13 42.631 0.011 . . . . . . . 1029 LEU CB . 53039 1 73 . 1 . 1 20 20 LEU N N 15 123.256 0.011 . . . . . . . 1029 LEU N . 53039 1 74 . 1 . 1 21 21 GLU H H 1 8.337 0.001 . . . . . . . 1030 GLU H . 53039 1 75 . 1 . 1 21 21 GLU CA C 13 56.698 0.031 . . . . . . . 1030 GLU CA . 53039 1 76 . 1 . 1 21 21 GLU CB C 13 30.614 0.056 . . . . . . . 1030 GLU CB . 53039 1 77 . 1 . 1 21 21 GLU N N 15 121.695 0.034 . . . . . . . 1030 GLU N . 53039 1 78 . 1 . 1 22 22 GLU H H 1 8.313 0.001 . . . . . . . 1031 GLU H . 53039 1 79 . 1 . 1 22 22 GLU CA C 13 56.585 0.03 . . . . . . . 1031 GLU CA . 53039 1 80 . 1 . 1 22 22 GLU CB C 13 31.007 0.007 . . . . . . . 1031 GLU CB . 53039 1 81 . 1 . 1 22 22 GLU N N 15 121.885 0.013 . . . . . . . 1031 GLU N . 53039 1 82 . 1 . 1 23 23 ASP H H 1 8.352 0.002 . . . . . . . 1032 ASP H . 53039 1 83 . 1 . 1 23 23 ASP CA C 13 54.599 0 . . . . . . . 1032 ASP CA . 53039 1 84 . 1 . 1 23 23 ASP CB C 13 41.728 0 . . . . . . . 1032 ASP CB . 53039 1 85 . 1 . 1 23 23 ASP N N 15 122.015 0.029 . . . . . . . 1032 ASP N . 53039 1 86 . 1 . 1 24 24 GLU H H 1 8.336 0 . . . . . . . 1033 GLU H . 53039 1 87 . 1 . 1 24 24 GLU CA C 13 56.639 0 . . . . . . . 1033 GLU CA . 53039 1 88 . 1 . 1 24 24 GLU CB C 13 30.953 0 . . . . . . . 1033 GLU CB . 53039 1 89 . 1 . 1 24 24 GLU N N 15 121.746 0.014 . . . . . . . 1033 GLU N . 53039 1 90 . 1 . 1 25 25 GLU H H 1 8.409 0.005 . . . . . . . 1034 GLU H . 53039 1 91 . 1 . 1 25 25 GLU CA C 13 56.631 0 . . . . . . . 1034 GLU CA . 53039 1 92 . 1 . 1 25 25 GLU CB C 13 30.874 0.074 . . . . . . . 1034 GLU CB . 53039 1 93 . 1 . 1 25 25 GLU N N 15 122.631 0.017 . . . . . . . 1034 GLU N . 53039 1 94 . 1 . 1 26 26 GLU H H 1 8.424 0.003 . . . . . . . 1035 GLU H . 53039 1 95 . 1 . 1 26 26 GLU CA C 13 56.652 0.023 . . . . . . . 1035 GLU CA . 53039 1 96 . 1 . 1 26 26 GLU CB C 13 30.931 0.019 . . . . . . . 1035 GLU CB . 53039 1 97 . 1 . 1 26 26 GLU N N 15 123.03 0.013 . . . . . . . 1035 GLU N . 53039 1 98 . 1 . 1 27 27 GLU H H 1 8.472 0.001 . . . . . . . 1036 GLU H . 53039 1 99 . 1 . 1 27 27 GLU CA C 13 56.64 0.011 . . . . . . . 1036 GLU CA . 53039 1 100 . 1 . 1 27 27 GLU CB C 13 30.965 0 . . . . . . . 1036 GLU CB . 53039 1 101 . 1 . 1 27 27 GLU N N 15 123.226 0.009 . . . . . . . 1036 GLU N . 53039 1 102 . 1 . 1 28 28 GLU H H 1 8.535 0.001 . . . . . . . 1037 GLU H . 53039 1 103 . 1 . 1 28 28 GLU CA C 13 57.034 0.027 . . . . . . . 1037 GLU CA . 53039 1 104 . 1 . 1 28 28 GLU CB C 13 30.759 0.009 . . . . . . . 1037 GLU CB . 53039 1 105 . 1 . 1 28 28 GLU N N 15 123.36 0.042 . . . . . . . 1037 GLU N . 53039 1 106 . 1 . 1 29 29 GLY H H 1 8.466 0.002 . . . . . . . 1038 GLY H . 53039 1 107 . 1 . 1 29 29 GLY CA C 13 45.658 0.027 . . . . . . . 1038 GLY CA . 53039 1 108 . 1 . 1 29 29 GLY N N 15 110.648 0.022 . . . . . . . 1038 GLY N . 53039 1 109 . 1 . 1 30 30 GLY H H 1 8.27 0.001 . . . . . . . 1039 GLY H . 53039 1 110 . 1 . 1 30 30 GLY CA C 13 45.477 0.017 . . . . . . . 1039 GLY CA . 53039 1 111 . 1 . 1 30 30 GLY N N 15 108.97 0.017 . . . . . . . 1039 GLY N . 53039 1 112 . 1 . 1 31 31 ALA H H 1 8.19 0.001 . . . . . . . 1040 ALA H . 53039 1 113 . 1 . 1 31 31 ALA CA C 13 52.71 0.014 . . . . . . . 1040 ALA CA . 53039 1 114 . 1 . 1 31 31 ALA CB C 13 19.81 0.003 . . . . . . . 1040 ALA CB . 53039 1 115 . 1 . 1 31 31 ALA N N 15 123.715 0.016 . . . . . . . 1040 ALA N . 53039 1 116 . 1 . 1 32 32 GLU H H 1 8.481 0.001 . . . . . . . 1041 GLU H . 53039 1 117 . 1 . 1 32 32 GLU CA C 13 56.971 0.016 . . . . . . . 1041 GLU CA . 53039 1 118 . 1 . 1 32 32 GLU CB C 13 30.449 0.019 . . . . . . . 1041 GLU CB . 53039 1 119 . 1 . 1 32 32 GLU N N 15 120.5 0.011 . . . . . . . 1041 GLU N . 53039 1 120 . 1 . 1 33 33 THR H H 1 8.136 0.001 . . . . . . . 1042 THR H . 53039 1 121 . 1 . 1 33 33 THR CA C 13 62.081 0.021 . . . . . . . 1042 THR CA . 53039 1 122 . 1 . 1 33 33 THR CB C 13 70.192 0.02 . . . . . . . 1042 THR CB . 53039 1 123 . 1 . 1 33 33 THR N N 15 115.19 0.015 . . . . . . . 1042 THR N . 53039 1 124 . 1 . 1 34 34 GLU H H 1 8.385 0.002 . . . . . . . 1043 GLU H . 53039 1 125 . 1 . 1 34 34 GLU CA C 13 56.808 0.005 . . . . . . . 1043 GLU CA . 53039 1 126 . 1 . 1 34 34 GLU CB C 13 30.749 0 . . . . . . . 1043 GLU CB . 53039 1 127 . 1 . 1 34 34 GLU N N 15 123.547 0.017 . . . . . . . 1043 GLU N . 53039 1 128 . 1 . 1 35 35 GLU H H 1 8.434 0.003 . . . . . . . 1044 GLU H . 53039 1 129 . 1 . 1 35 35 GLU CA C 13 56.96 0.046 . . . . . . . 1044 GLU CA . 53039 1 130 . 1 . 1 35 35 GLU CB C 13 30.67 0.038 . . . . . . . 1044 GLU CB . 53039 1 131 . 1 . 1 35 35 GLU N N 15 122.784 0.014 . . . . . . . 1044 GLU N . 53039 1 132 . 1 . 1 36 36 GLN H H 1 8.436 0.001 . . . . . . . 1045 GLN H . 53039 1 133 . 1 . 1 36 36 GLN HE21 H 1 7.471 0 . . . . . . . 1045 GLN HE21 . 53039 1 134 . 1 . 1 36 36 GLN HE22 H 1 6.79 0 . . . . . . . 1045 GLN HE22 . 53039 1 135 . 1 . 1 36 36 GLN CA C 13 55.952 0.019 . . . . . . . 1045 GLN CA . 53039 1 136 . 1 . 1 36 36 GLN CB C 13 29.771 0.022 . . . . . . . 1045 GLN CB . 53039 1 137 . 1 . 1 36 36 GLN CG C 13 34.047 0 . . . . . . . 1045 GLN CG . 53039 1 138 . 1 . 1 36 36 GLN N N 15 122.002 0.028 . . . . . . . 1045 GLN N . 53039 1 139 . 1 . 1 36 36 GLN NE2 N 15 112.613 0 . . . . . . . 1045 GLN NE2 . 53039 1 140 . 1 . 1 37 37 SER H H 1 8.427 0.001 . . . . . . . 1046 SER H . 53039 1 141 . 1 . 1 37 37 SER CA C 13 58.852 0.022 . . . . . . . 1046 SER CA . 53039 1 142 . 1 . 1 37 37 SER CB C 13 64.244 0.011 . . . . . . . 1046 SER CB . 53039 1 143 . 1 . 1 37 37 SER N N 15 117.618 0.01 . . . . . . . 1046 SER N . 53039 1 144 . 1 . 1 38 38 GLY H H 1 8.466 0.001 . . . . . . . 1047 GLY H . 53039 1 145 . 1 . 1 38 38 GLY CA C 13 45.663 0.021 . . . . . . . 1047 GLY CA . 53039 1 146 . 1 . 1 38 38 GLY N N 15 110.875 0.017 . . . . . . . 1047 GLY N . 53039 1 147 . 1 . 1 39 39 ASN H H 1 8.287 0.001 . . . . . . . 1048 ASN H . 53039 1 148 . 1 . 1 39 39 ASN CA C 13 53.518 0.039 . . . . . . . 1048 ASN CA . 53039 1 149 . 1 . 1 39 39 ASN CB C 13 39.403 0.027 . . . . . . . 1048 ASN CB . 53039 1 150 . 1 . 1 39 39 ASN N N 15 118.629 0.02 . . . . . . . 1048 ASN N . 53039 1 151 . 1 . 1 40 40 GLU H H 1 8.553 0.001 . . . . . . . 1049 GLU H . 53039 1 152 . 1 . 1 40 40 GLU CA C 13 57.347 0.017 . . . . . . . 1049 GLU CA . 53039 1 153 . 1 . 1 40 40 GLU CB C 13 30.304 0.016 . . . . . . . 1049 GLU CB . 53039 1 154 . 1 . 1 40 40 GLU N N 15 121.604 0.01 . . . . . . . 1049 GLU N . 53039 1 155 . 1 . 1 41 41 SER H H 1 8.259 0.001 . . . . . . . 1050 SER H . 53039 1 156 . 1 . 1 41 41 SER CA C 13 58.773 0.024 . . . . . . . 1050 SER CA . 53039 1 157 . 1 . 1 41 41 SER CB C 13 64.143 0.024 . . . . . . . 1050 SER CB . 53039 1 158 . 1 . 1 41 41 SER N N 15 116.347 0.01 . . . . . . . 1050 SER N . 53039 1 159 . 1 . 1 42 42 GLU H H 1 8.313 0.001 . . . . . . . 1051 GLU H . 53039 1 160 . 1 . 1 42 42 GLU CA C 13 56.805 0.029 . . . . . . . 1051 GLU CA . 53039 1 161 . 1 . 1 42 42 GLU CB C 13 30.641 0.008 . . . . . . . 1051 GLU CB . 53039 1 162 . 1 . 1 42 42 GLU N N 15 122.996 0.011 . . . . . . . 1051 GLU N . 53039 1 163 . 1 . 1 43 43 VAL H H 1 8.109 0.002 . . . . . . . 1052 VAL H . 53039 1 164 . 1 . 1 43 43 VAL CA C 13 62.4 0.023 . . . . . . . 1052 VAL CA . 53039 1 165 . 1 . 1 43 43 VAL CB C 13 33.161 0.042 . . . . . . . 1052 VAL CB . 53039 1 166 . 1 . 1 43 43 VAL N N 15 121.231 0.018 . . . . . . . 1052 VAL N . 53039 1 167 . 1 . 1 44 44 ASN H H 1 8.454 0.001 . . . . . . . 1053 ASN H . 53039 1 168 . 1 . 1 44 44 ASN CA C 13 53.227 0.022 . . . . . . . 1053 ASN CA . 53039 1 169 . 1 . 1 44 44 ASN CB C 13 39.861 0.014 . . . . . . . 1053 ASN CB . 53039 1 170 . 1 . 1 44 44 ASN N N 15 123.373 0.021 . . . . . . . 1053 ASN N . 53039 1 171 . 1 . 1 45 45 GLU H H 1 8.359 0 . . . . . . . 1054 GLU H . 53039 1 172 . 1 . 1 45 45 GLU CA C 13 54.647 0.013 . . . . . . . 1054 GLU CA . 53039 1 173 . 1 . 1 45 45 GLU CB C 13 30.043 0 . . . . . . . 1054 GLU CB . 53039 1 174 . 1 . 1 45 45 GLU N N 15 123.172 0.006 . . . . . . . 1054 GLU N . 53039 1 175 . 1 . 1 46 46 PRO CA C 13 63.345 0.013 . . . . . . . 1055 PRO CA . 53039 1 176 . 1 . 1 46 46 PRO CB C 13 32.453 0.016 . . . . . . . 1055 PRO CB . 53039 1 177 . 1 . 1 47 47 GLU H H 1 8.466 0.001 . . . . . . . 1056 GLU H . 53039 1 178 . 1 . 1 47 47 GLU CA C 13 56.801 0.161 . . . . . . . 1056 GLU CA . 53039 1 179 . 1 . 1 47 47 GLU CB C 13 30.846 0.013 . . . . . . . 1056 GLU CB . 53039 1 180 . 1 . 1 47 47 GLU N N 15 121.619 0.011 . . . . . . . 1056 GLU N . 53039 1 181 . 1 . 1 48 48 GLU H H 1 8.381 0.001 . . . . . . . 1057 GLU H . 53039 1 182 . 1 . 1 48 48 GLU CA C 13 56.636 0.001 . . . . . . . 1057 GLU CA . 53039 1 183 . 1 . 1 48 48 GLU CB C 13 30.927 0 . . . . . . . 1057 GLU CB . 53039 1 184 . 1 . 1 48 48 GLU N N 15 122.301 0.024 . . . . . . . 1057 GLU N . 53039 1 185 . 1 . 1 49 49 GLU H H 1 8.45 0.004 . . . . . . . 1058 GLU H . 53039 1 186 . 1 . 1 49 49 GLU CA C 13 56.624 0.009 . . . . . . . 1058 GLU CA . 53039 1 187 . 1 . 1 49 49 GLU CB C 13 30.981 0 . . . . . . . 1058 GLU CB . 53039 1 188 . 1 . 1 49 49 GLU N N 15 122.886 0.07 . . . . . . . 1058 GLU N . 53039 1 189 . 1 . 1 50 50 GLU H H 1 8.504 0.001 . . . . . . . 1059 GLU H . 53039 1 190 . 1 . 1 50 50 GLU CA C 13 56.985 0 . . . . . . . 1059 GLU CA . 53039 1 191 . 1 . 1 50 50 GLU CB C 13 30.897 0 . . . . . . . 1059 GLU CB . 53039 1 192 . 1 . 1 50 50 GLU N N 15 123.27 0.018 . . . . . . . 1059 GLU N . 53039 1 193 . 1 . 1 51 51 GLY H H 1 8.454 0.004 . . . . . . . 1060 GLY H . 53039 1 194 . 1 . 1 51 51 GLY CA C 13 45.563 0.011 . . . . . . . 1060 GLY CA . 53039 1 195 . 1 . 1 51 51 GLY N N 15 110.645 0.013 . . . . . . . 1060 GLY N . 53039 1 196 . 1 . 1 52 52 SER H H 1 8.212 0.001 . . . . . . . 1061 SER H . 53039 1 197 . 1 . 1 52 52 SER CA C 13 58.344 0.014 . . . . . . . 1061 SER CA . 53039 1 198 . 1 . 1 52 52 SER CB C 13 64.483 0.002 . . . . . . . 1061 SER CB . 53039 1 199 . 1 . 1 52 52 SER N N 15 115.495 0.011 . . . . . . . 1061 SER N . 53039 1 200 . 1 . 1 53 53 ASP H H 1 8.425 0.001 . . . . . . . 1062 ASP H . 53039 1 201 . 1 . 1 53 53 ASP CA C 13 54.598 0.016 . . . . . . . 1062 ASP CA . 53039 1 202 . 1 . 1 53 53 ASP CB C 13 41.446 0.023 . . . . . . . 1062 ASP CB . 53039 1 203 . 1 . 1 53 53 ASP N N 15 122.383 0.012 . . . . . . . 1062 ASP N . 53039 1 204 . 1 . 1 54 54 ASN H H 1 8.295 0.001 . . . . . . . 1063 ASN H . 53039 1 205 . 1 . 1 54 54 ASN CA C 13 53.543 0.028 . . . . . . . 1063 ASN CA . 53039 1 206 . 1 . 1 54 54 ASN CB C 13 39.637 0.044 . . . . . . . 1063 ASN CB . 53039 1 207 . 1 . 1 54 54 ASN N N 15 118.955 0.019 . . . . . . . 1063 ASN N . 53039 1 208 . 1 . 1 55 55 ASP H H 1 8.329 0.003 . . . . . . . 1064 ASP H . 53039 1 209 . 1 . 1 55 55 ASP CA C 13 54.661 0.002 . . . . . . . 1064 ASP CA . 53039 1 210 . 1 . 1 55 55 ASP CB C 13 41.629 0 . . . . . . . 1064 ASP CB . 53039 1 211 . 1 . 1 55 55 ASP N N 15 121.567 0.045 . . . . . . . 1064 ASP N . 53039 1 212 . 1 . 1 56 56 ASP H H 1 8.227 0.003 . . . . . . . 1065 ASP H . 53039 1 213 . 1 . 1 56 56 ASP CA C 13 54.696 0.025 . . . . . . . 1065 ASP CA . 53039 1 214 . 1 . 1 56 56 ASP CB C 13 41.588 0 . . . . . . . 1065 ASP CB . 53039 1 215 . 1 . 1 56 56 ASP N N 15 120.775 0.036 . . . . . . . 1065 ASP N . 53039 1 216 . 1 . 1 57 57 ASP H H 1 8.22 0.003 . . . . . . . 1066 ASP H . 53039 1 217 . 1 . 1 57 57 ASP CA C 13 54.647 0.052 . . . . . . . 1066 ASP CA . 53039 1 218 . 1 . 1 57 57 ASP CB C 13 41.675 0.026 . . . . . . . 1066 ASP CB . 53039 1 219 . 1 . 1 57 57 ASP N N 15 120.913 0.073 . . . . . . . 1066 ASP N . 53039 1 220 . 1 . 1 58 58 GLU H H 1 8.337 0.002 . . . . . . . 1067 GLU H . 53039 1 221 . 1 . 1 58 58 GLU CA C 13 57.053 0.012 . . . . . . . 1067 GLU CA . 53039 1 222 . 1 . 1 58 58 GLU CB C 13 30.646 0.019 . . . . . . . 1067 GLU CB . 53039 1 223 . 1 . 1 58 58 GLU N N 15 121.771 0.056 . . . . . . . 1067 GLU N . 53039 1 224 . 1 . 1 59 59 GLY H H 1 8.356 0.001 . . . . . . . 1068 GLY H . 53039 1 225 . 1 . 1 59 59 GLY CA C 13 45.508 0.005 . . . . . . . 1068 GLY CA . 53039 1 226 . 1 . 1 59 59 GLY N N 15 109.93 0.023 . . . . . . . 1068 GLY N . 53039 1 227 . 1 . 1 60 60 GLU H H 1 8.23 0.001 . . . . . . . 1069 GLU H . 53039 1 228 . 1 . 1 60 60 GLU CA C 13 56.4 0.013 . . . . . . . 1069 GLU CA . 53039 1 229 . 1 . 1 60 60 GLU CB C 13 31.07 0.033 . . . . . . . 1069 GLU CB . 53039 1 230 . 1 . 1 60 60 GLU N N 15 120.522 0.01 . . . . . . . 1069 GLU N . 53039 1 231 . 1 . 1 61 61 GLU H H 1 8.469 0.001 . . . . . . . 1070 GLU H . 53039 1 232 . 1 . 1 61 61 GLU CA C 13 56.635 0.011 . . . . . . . 1070 GLU CA . 53039 1 233 . 1 . 1 61 61 GLU CB C 13 30.936 0 . . . . . . . 1070 GLU CB . 53039 1 234 . 1 . 1 61 61 GLU N N 15 122.541 0.017 . . . . . . . 1070 GLU N . 53039 1 235 . 1 . 1 62 62 GLU H H 1 8.453 0.003 . . . . . . . 1071 GLU H . 53039 1 236 . 1 . 1 62 62 GLU CA C 13 56.625 0 . . . . . . . 1071 GLU CA . 53039 1 237 . 1 . 1 62 62 GLU CB C 13 30.807 0 . . . . . . . 1071 GLU CB . 53039 1 238 . 1 . 1 62 62 GLU N N 15 122.991 0.03 . . . . . . . 1071 GLU N . 53039 1 239 . 1 . 1 63 63 GLU H H 1 8.456 0.003 . . . . . . . 1072 GLU H . 53039 1 240 . 1 . 1 63 63 GLU CA C 13 56.625 0 . . . . . . . 1072 GLU CA . 53039 1 241 . 1 . 1 63 63 GLU CB C 13 30.981 0 . . . . . . . 1072 GLU CB . 53039 1 242 . 1 . 1 63 63 GLU N N 15 123.098 0.051 . . . . . . . 1072 GLU N . 53039 1 243 . 1 . 1 64 64 GLU H H 1 8.458 0.002 . . . . . . . 1073 GLU H . 53039 1 244 . 1 . 1 64 64 GLU CA C 13 56.625 0 . . . . . . . 1073 GLU CA . 53039 1 245 . 1 . 1 64 64 GLU CB C 13 30.981 0 . . . . . . . 1073 GLU CB . 53039 1 246 . 1 . 1 64 64 GLU N N 15 123.125 0.06 . . . . . . . 1073 GLU N . 53039 1 247 . 1 . 1 65 65 GLU H H 1 8.482 0.003 . . . . . . . 1074 GLU H . 53039 1 248 . 1 . 1 65 65 GLU CA C 13 56.754 0.069 . . . . . . . 1074 GLU CA . 53039 1 249 . 1 . 1 65 65 GLU CB C 13 30.843 0.016 . . . . . . . 1074 GLU CB . 53039 1 250 . 1 . 1 65 65 GLU N N 15 123.055 0.013 . . . . . . . 1074 GLU N . 53039 1 251 . 1 . 1 66 66 ASN H H 1 8.55 0.002 . . . . . . . 1075 ASN H . 53039 1 252 . 1 . 1 66 66 ASN CA C 13 53.503 0.004 . . . . . . . 1075 ASN CA . 53039 1 253 . 1 . 1 66 66 ASN CB C 13 39.431 0.001 . . . . . . . 1075 ASN CB . 53039 1 254 . 1 . 1 66 66 ASN N N 15 121.184 0.021 . . . . . . . 1075 ASN N . 53039 1 255 . 1 . 1 67 67 THR H H 1 8.235 0.001 . . . . . . . 1076 THR H . 53039 1 256 . 1 . 1 67 67 THR CA C 13 62.159 0.016 . . . . . . . 1076 THR CA . 53039 1 257 . 1 . 1 67 67 THR CB C 13 69.7 0.004 . . . . . . . 1076 THR CB . 53039 1 258 . 1 . 1 67 67 THR N N 15 115.096 0.009 . . . . . . . 1076 THR N . 53039 1 259 . 1 . 1 68 68 ASP H H 1 8.3 0.003 . . . . . . . 1077 ASP H . 53039 1 260 . 1 . 1 68 68 ASP CA C 13 55.099 0.014 . . . . . . . 1077 ASP CA . 53039 1 261 . 1 . 1 68 68 ASP CB C 13 41.136 0.021 . . . . . . . 1077 ASP CB . 53039 1 262 . 1 . 1 68 68 ASP N N 15 123.002 0.013 . . . . . . . 1077 ASP N . 53039 1 263 . 1 . 1 69 69 TYR H H 1 7.927 0.001 . . . . . . . 1078 TYR H . 53039 1 264 . 1 . 1 69 69 TYR CA C 13 58.255 0.013 . . . . . . . 1078 TYR CA . 53039 1 265 . 1 . 1 69 69 TYR CB C 13 38.566 0.002 . . . . . . . 1078 TYR CB . 53039 1 266 . 1 . 1 69 69 TYR N N 15 119.74 0.009 . . . . . . . 1078 TYR N . 53039 1 267 . 1 . 1 70 70 LEU H H 1 7.936 0.001 . . . . . . . 1079 LEU H . 53039 1 268 . 1 . 1 70 70 LEU CA C 13 55.568 0.016 . . . . . . . 1079 LEU CA . 53039 1 269 . 1 . 1 70 70 LEU CB C 13 42.538 0.016 . . . . . . . 1079 LEU CB . 53039 1 270 . 1 . 1 70 70 LEU N N 15 123.127 0.011 . . . . . . . 1079 LEU N . 53039 1 271 . 1 . 1 71 71 THR H H 1 7.96 0.001 . . . . . . . 1080 THR H . 53039 1 272 . 1 . 1 71 71 THR CA C 13 62.346 0.024 . . . . . . . 1080 THR CA . 53039 1 273 . 1 . 1 71 71 THR CB C 13 70.044 0.003 . . . . . . . 1080 THR CB . 53039 1 274 . 1 . 1 71 71 THR N N 15 114.601 0.016 . . . . . . . 1080 THR N . 53039 1 275 . 1 . 1 72 72 ASP H H 1 8.252 0.001 . . . . . . . 1081 ASP H . 53039 1 276 . 1 . 1 72 72 ASP CA C 13 54.722 0.023 . . . . . . . 1081 ASP CA . 53039 1 277 . 1 . 1 72 72 ASP CB C 13 41.499 0.011 . . . . . . . 1081 ASP CB . 53039 1 278 . 1 . 1 72 72 ASP N N 15 122.72 0.009 . . . . . . . 1081 ASP N . 53039 1 279 . 1 . 1 73 73 SER H H 1 8.195 0.001 . . . . . . . 1082 SER H . 53039 1 280 . 1 . 1 73 73 SER CA C 13 59.068 0.03 . . . . . . . 1082 SER CA . 53039 1 281 . 1 . 1 73 73 SER CB C 13 64.019 0.003 . . . . . . . 1082 SER CB . 53039 1 282 . 1 . 1 73 73 SER N N 15 116.421 0.012 . . . . . . . 1082 SER N . 53039 1 283 . 1 . 1 74 74 ASN H H 1 8.4 0.001 . . . . . . . 1083 ASN H . 53039 1 284 . 1 . 1 74 74 ASN CA C 13 53.793 0.019 . . . . . . . 1083 ASN CA . 53039 1 285 . 1 . 1 74 74 ASN CB C 13 39.165 0.01 . . . . . . . 1083 ASN CB . 53039 1 286 . 1 . 1 74 74 ASN N N 15 120.617 0.011 . . . . . . . 1083 ASN N . 53039 1 287 . 1 . 1 75 75 LYS H H 1 8.101 0.001 . . . . . . . 1084 LYS H . 53039 1 288 . 1 . 1 75 75 LYS CA C 13 56.755 0 . . . . . . . 1084 LYS CA . 53039 1 289 . 1 . 1 75 75 LYS CB C 13 33.22 0.038 . . . . . . . 1084 LYS CB . 53039 1 290 . 1 . 1 75 75 LYS N N 15 121.555 0.01 . . . . . . . 1084 LYS N . 53039 1 291 . 1 . 1 76 76 GLU H H 1 8.389 0.001 . . . . . . . 1085 GLU H . 53039 1 292 . 1 . 1 76 76 GLU CA C 13 57.158 0.011 . . . . . . . 1085 GLU CA . 53039 1 293 . 1 . 1 76 76 GLU CB C 13 30.379 0.011 . . . . . . . 1085 GLU CB . 53039 1 294 . 1 . 1 76 76 GLU N N 15 121.544 0.013 . . . . . . . 1085 GLU N . 53039 1 295 . 1 . 1 77 77 ASN H H 1 8.328 0.001 . . . . . . . 1086 ASN H . 53039 1 296 . 1 . 1 77 77 ASN CA C 13 53.592 0.008 . . . . . . . 1086 ASN CA . 53039 1 297 . 1 . 1 77 77 ASN CB C 13 39.466 0 . . . . . . . 1086 ASN CB . 53039 1 298 . 1 . 1 77 77 ASN N N 15 118.839 0.012 . . . . . . . 1086 ASN N . 53039 1 299 . 1 . 1 78 78 GLU H H 1 8.333 0.002 . . . . . . . 1087 GLU H . 53039 1 300 . 1 . 1 78 78 GLU CA C 13 57.109 0.02 . . . . . . . 1087 GLU CA . 53039 1 301 . 1 . 1 78 78 GLU CB C 13 30.641 0.009 . . . . . . . 1087 GLU CB . 53039 1 302 . 1 . 1 78 78 GLU N N 15 121.538 0.024 . . . . . . . 1087 GLU N . 53039 1 303 . 1 . 1 79 79 THR H H 1 8.13 0.002 . . . . . . . 1088 THR H . 53039 1 304 . 1 . 1 79 79 THR CA C 13 61.878 0.022 . . . . . . . 1088 THR CA . 53039 1 305 . 1 . 1 79 79 THR CB C 13 70.269 0.042 . . . . . . . 1088 THR CB . 53039 1 306 . 1 . 1 79 79 THR N N 15 114.602 0.015 . . . . . . . 1088 THR N . 53039 1 307 . 1 . 1 80 80 ASP H H 1 8.325 0.002 . . . . . . . 1089 ASP H . 53039 1 308 . 1 . 1 80 80 ASP CA C 13 54.665 0.005 . . . . . . . 1089 ASP CA . 53039 1 309 . 1 . 1 80 80 ASP CB C 13 41.563 0 . . . . . . . 1089 ASP CB . 53039 1 310 . 1 . 1 80 80 ASP N N 15 123.02 0.013 . . . . . . . 1089 ASP N . 53039 1 311 . 1 . 1 81 81 GLU H H 1 8.333 0.001 . . . . . . . 1090 GLU H . 53039 1 312 . 1 . 1 81 81 GLU CA C 13 56.989 0 . . . . . . . 1090 GLU CA . 53039 1 313 . 1 . 1 81 81 GLU CB C 13 30.687 0 . . . . . . . 1090 GLU CB . 53039 1 314 . 1 . 1 81 81 GLU N N 15 121.484 0.023 . . . . . . . 1090 GLU N . 53039 1 315 . 1 . 1 82 82 GLU H H 1 8.384 0.003 . . . . . . . 1091 GLU H . 53039 1 316 . 1 . 1 82 82 GLU CA C 13 57.12 0.023 . . . . . . . 1091 GLU CA . 53039 1 317 . 1 . 1 82 82 GLU CB C 13 30.573 0.016 . . . . . . . 1091 GLU CB . 53039 1 318 . 1 . 1 82 82 GLU N N 15 121.421 0.044 . . . . . . . 1091 GLU N . 53039 1 319 . 1 . 1 83 83 ASN H H 1 8.355 0.002 . . . . . . . 1092 ASN H . 53039 1 320 . 1 . 1 83 83 ASN CA C 13 53.586 0.027 . . . . . . . 1092 ASN CA . 53039 1 321 . 1 . 1 83 83 ASN CB C 13 39.219 0.014 . . . . . . . 1092 ASN CB . 53039 1 322 . 1 . 1 83 83 ASN N N 15 119.808 0.012 . . . . . . . 1092 ASN N . 53039 1 323 . 1 . 1 84 84 THR H H 1 8.107 0.001 . . . . . . . 1093 THR H . 53039 1 324 . 1 . 1 84 84 THR CA C 13 62.833 0.039 . . . . . . . 1093 THR CA . 53039 1 325 . 1 . 1 84 84 THR CB C 13 69.95 0.041 . . . . . . . 1093 THR CB . 53039 1 326 . 1 . 1 84 84 THR N N 15 114.89 0.036 . . . . . . . 1093 THR N . 53039 1 327 . 1 . 1 85 85 GLU H H 1 8.338 0.001 . . . . . . . 1094 GLU H . 53039 1 328 . 1 . 1 85 85 GLU CA C 13 57.42 0.02 . . . . . . . 1094 GLU CA . 53039 1 329 . 1 . 1 85 85 GLU CB C 13 30.391 0.027 . . . . . . . 1094 GLU CB . 53039 1 330 . 1 . 1 85 85 GLU N N 15 122.822 0.021 . . . . . . . 1094 GLU N . 53039 1 331 . 1 . 1 86 86 VAL H H 1 7.931 0.002 . . . . . . . 1095 VAL H . 53039 1 332 . 1 . 1 86 86 VAL CA C 13 63.154 0.027 . . . . . . . 1095 VAL CA . 53039 1 333 . 1 . 1 86 86 VAL CB C 13 32.737 0.037 . . . . . . . 1095 VAL CB . 53039 1 334 . 1 . 1 86 86 VAL N N 15 120.142 0.016 . . . . . . . 1095 VAL N . 53039 1 335 . 1 . 1 87 87 MET H H 1 8.189 0.001 . . . . . . . 1096 MET H . 53039 1 336 . 1 . 1 87 87 MET CA C 13 56.05 0.025 . . . . . . . 1096 MET CA . 53039 1 337 . 1 . 1 87 87 MET CB C 13 33.108 0.028 . . . . . . . 1096 MET CB . 53039 1 338 . 1 . 1 87 87 MET N N 15 123.253 0.017 . . . . . . . 1096 MET N . 53039 1 339 . 1 . 1 88 88 ILE H H 1 8.067 0.001 . . . . . . . 1097 ILE H . 53039 1 340 . 1 . 1 88 88 ILE CA C 13 61.607 0.029 . . . . . . . 1097 ILE CA . 53039 1 341 . 1 . 1 88 88 ILE CB C 13 38.81 0.036 . . . . . . . 1097 ILE CB . 53039 1 342 . 1 . 1 88 88 ILE N N 15 122.2 0.011 . . . . . . . 1097 ILE N . 53039 1 343 . 1 . 1 89 89 LYS H H 1 8.332 0.001 . . . . . . . 1098 LYS H . 53039 1 344 . 1 . 1 89 89 LYS CA C 13 56.966 0.022 . . . . . . . 1098 LYS CA . 53039 1 345 . 1 . 1 89 89 LYS CB C 13 33.16 0.006 . . . . . . . 1098 LYS CB . 53039 1 346 . 1 . 1 89 89 LYS N N 15 125.223 0.018 . . . . . . . 1098 LYS N . 53039 1 347 . 1 . 1 90 90 GLY H H 1 8.371 0.004 . . . . . . . 1099 GLY H . 53039 1 348 . 1 . 1 90 90 GLY CA C 13 45.533 0 . . . . . . . 1099 GLY CA . 53039 1 349 . 1 . 1 90 90 GLY N N 15 110.278 0.022 . . . . . . . 1099 GLY N . 53039 1 350 . 1 . 1 91 91 GLY H H 1 8.244 0.002 . . . . . . . 1100 GLY H . 53039 1 351 . 1 . 1 91 91 GLY CA C 13 45.629 0 . . . . . . . 1100 GLY CA . 53039 1 352 . 1 . 1 91 91 GLY N N 15 108.603 0.013 . . . . . . . 1100 GLY N . 53039 1 353 . 1 . 1 92 92 GLY H H 1 8.247 0.003 . . . . . . . 1101 GLY H . 53039 1 354 . 1 . 1 92 92 GLY CA C 13 45.451 0.009 . . . . . . . 1101 GLY CA . 53039 1 355 . 1 . 1 92 92 GLY N N 15 108.596 0.011 . . . . . . . 1101 GLY N . 53039 1 356 . 1 . 1 93 93 LEU H H 1 8.032 0.001 . . . . . . . 1102 LEU H . 53039 1 357 . 1 . 1 93 93 LEU CA C 13 55.425 0.018 . . . . . . . 1102 LEU CA . 53039 1 358 . 1 . 1 93 93 LEU CB C 13 42.789 0.02 . . . . . . . 1102 LEU CB . 53039 1 359 . 1 . 1 93 93 LEU N N 15 121.375 0.008 . . . . . . . 1102 LEU N . 53039 1 360 . 1 . 1 94 94 LYS H H 1 8.228 0.001 . . . . . . . 1103 LYS H . 53039 1 361 . 1 . 1 94 94 LYS CA C 13 56.348 0.072 . . . . . . . 1103 LYS CA . 53039 1 362 . 1 . 1 94 94 LYS CB C 13 33.388 0.012 . . . . . . . 1103 LYS CB . 53039 1 363 . 1 . 1 94 94 LYS N N 15 122.027 0.022 . . . . . . . 1103 LYS N . 53039 1 364 . 1 . 1 95 95 HIS H H 1 8.27 0.023 . . . . . . . 1104 HIS H . 53039 1 365 . 1 . 1 95 95 HIS CA C 13 56.551 0.005 . . . . . . . 1104 HIS CA . 53039 1 366 . 1 . 1 95 95 HIS CB C 13 31.256 0.018 . . . . . . . 1104 HIS CB . 53039 1 367 . 1 . 1 95 95 HIS N N 15 121.372 0.102 . . . . . . . 1104 HIS N . 53039 1 368 . 1 . 1 96 96 VAL H H 1 7.914 0.001 . . . . . . . 1105 VAL H . 53039 1 369 . 1 . 1 96 96 VAL CA C 13 59.791 0.017 . . . . . . . 1105 VAL CA . 53039 1 370 . 1 . 1 96 96 VAL CB C 13 33.104 0 . . . . . . . 1105 VAL CB . 53039 1 371 . 1 . 1 96 96 VAL N N 15 124.383 0.03 . . . . . . . 1105 VAL N . 53039 1 stop_ save_