data_50888 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50888 _Entry.Title ; 1H 15N 13C chemical shift assignment of the construct of human ataxin-3 including residues 182-291 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-04-10 _Entry.Accession_date 2021-04-10 _Entry.Last_release_date 2021-04-10 _Entry.Original_release_date 2021-04-10 _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 '1H 15N 13C chemical shift assignment of the construct of human ataxin-3 including residues 182-291' _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 Gaetano Invernizzi . . . . 50888 2 Matteo Lambrughi . . . 0000-0002-0894-8627 50888 3 Kresten Lindorff-Larsen . . . 0000-0002-4750-6039 50888 4 Elena Papaleo . . . 0000-0002-7376-5894 50888 5 Kaare Teilum . . . 0000-0001-6919-1982 50888 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Structural Biology and NMR Laboratory, Department of Biology, University of Copenhagen, Denmark' . 50888 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50888 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 375 50888 '15N chemical shifts' 104 50888 '1H chemical shifts' 102 50888 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 . . 2021-08-16 . original BMRB . 50888 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50888 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34262938 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Ubiquitin Interacting Motifs: duality between structured and disordered motifs ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Front. Mol. Biosci.' _Citation.Journal_name_full 'Frontiers in molecular biosciences' _Citation.Journal_volume 8 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2296-889X _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 676235 _Citation.Page_last 676235 _Citation.Year 2021 _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 Matteo Lambrughi . . . . 50888 1 2 Emiliano Maiani . . . . 50888 1 3 Burcu Fas . A. . . 50888 1 4 Gary Shaw . . . . 50888 1 5 Birthe Kragelund . B. . . 50888 1 6 Kresten Lindorff-Larsen . . . . 50888 1 7 Kaare Teilum . . . . 50888 1 8 Gaetano Invernizzi . . . . 50888 1 9 Elena Papaleo . . . . 50888 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'intrinsically disorder' 50888 1 'molecular dynamics' 50888 1 'moonlight functions' 50888 1 'short linear motifs' 50888 1 ubiquitin 50888 1 'ubiquitin interacting motif' 50888 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50888 _Assembly.ID 1 _Assembly.Name ataxin-3 _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 no _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 ataxin-3 1 $entity_1 . . yes native no no . . . 50888 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50888 _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 ; GPLGSVQQMHRPKLIGEELA QLKEQRVHKTDLERMLEAND GSGMLDEDEEDLQRALALSR QEIDMEDEEADLRRAIQLSM QGSSRNISQDMTQTSGTNLT SEELRKRREAYFEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 1-5 are residuals from the glutathione S-transferase (GST) tag. The sequence includes the disordered region between the Josephin domain and the polyglutamine tract of ataxin-3. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 3.4.19.12 _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_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 50888 1 2 . PRO . 50888 1 3 . LEU . 50888 1 4 . GLY . 50888 1 5 . SER . 50888 1 6 . VAL . 50888 1 7 . GLN . 50888 1 8 . GLN . 50888 1 9 . MET . 50888 1 10 . HIS . 50888 1 11 . ARG . 50888 1 12 . PRO . 50888 1 13 . LYS . 50888 1 14 . LEU . 50888 1 15 . ILE . 50888 1 16 . GLY . 50888 1 17 . GLU . 50888 1 18 . GLU . 50888 1 19 . LEU . 50888 1 20 . ALA . 50888 1 21 . GLN . 50888 1 22 . LEU . 50888 1 23 . LYS . 50888 1 24 . GLU . 50888 1 25 . GLN . 50888 1 26 . ARG . 50888 1 27 . VAL . 50888 1 28 . HIS . 50888 1 29 . LYS . 50888 1 30 . THR . 50888 1 31 . ASP . 50888 1 32 . LEU . 50888 1 33 . GLU . 50888 1 34 . ARG . 50888 1 35 . MET . 50888 1 36 . LEU . 50888 1 37 . GLU . 50888 1 38 . ALA . 50888 1 39 . ASN . 50888 1 40 . ASP . 50888 1 41 . GLY . 50888 1 42 . SER . 50888 1 43 . GLY . 50888 1 44 . MET . 50888 1 45 . LEU . 50888 1 46 . ASP . 50888 1 47 . GLU . 50888 1 48 . ASP . 50888 1 49 . GLU . 50888 1 50 . GLU . 50888 1 51 . ASP . 50888 1 52 . LEU . 50888 1 53 . GLN . 50888 1 54 . ARG . 50888 1 55 . ALA . 50888 1 56 . LEU . 50888 1 57 . ALA . 50888 1 58 . LEU . 50888 1 59 . SER . 50888 1 60 . ARG . 50888 1 61 . GLN . 50888 1 62 . GLU . 50888 1 63 . ILE . 50888 1 64 . ASP . 50888 1 65 . MET . 50888 1 66 . GLU . 50888 1 67 . ASP . 50888 1 68 . GLU . 50888 1 69 . GLU . 50888 1 70 . ALA . 50888 1 71 . ASP . 50888 1 72 . LEU . 50888 1 73 . ARG . 50888 1 74 . ARG . 50888 1 75 . ALA . 50888 1 76 . ILE . 50888 1 77 . GLN . 50888 1 78 . LEU . 50888 1 79 . SER . 50888 1 80 . MET . 50888 1 81 . GLN . 50888 1 82 . GLY . 50888 1 83 . SER . 50888 1 84 . SER . 50888 1 85 . ARG . 50888 1 86 . ASN . 50888 1 87 . ILE . 50888 1 88 . SER . 50888 1 89 . GLN . 50888 1 90 . ASP . 50888 1 91 . MET . 50888 1 92 . THR . 50888 1 93 . GLN . 50888 1 94 . THR . 50888 1 95 . SER . 50888 1 96 . GLY . 50888 1 97 . THR . 50888 1 98 . ASN . 50888 1 99 . LEU . 50888 1 100 . THR . 50888 1 101 . SER . 50888 1 102 . GLU . 50888 1 103 . GLU . 50888 1 104 . LEU . 50888 1 105 . ARG . 50888 1 106 . LYS . 50888 1 107 . ARG . 50888 1 108 . ARG . 50888 1 109 . GLU . 50888 1 110 . ALA . 50888 1 111 . TYR . 50888 1 112 . PHE . 50888 1 113 . GLU . 50888 1 114 . LYS . 50888 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 50888 1 . PRO 2 2 50888 1 . LEU 3 3 50888 1 . GLY 4 4 50888 1 . SER 5 5 50888 1 . VAL 6 6 50888 1 . GLN 7 7 50888 1 . GLN 8 8 50888 1 . MET 9 9 50888 1 . HIS 10 10 50888 1 . ARG 11 11 50888 1 . PRO 12 12 50888 1 . LYS 13 13 50888 1 . LEU 14 14 50888 1 . ILE 15 15 50888 1 . GLY 16 16 50888 1 . GLU 17 17 50888 1 . GLU 18 18 50888 1 . LEU 19 19 50888 1 . ALA 20 20 50888 1 . GLN 21 21 50888 1 . LEU 22 22 50888 1 . LYS 23 23 50888 1 . GLU 24 24 50888 1 . GLN 25 25 50888 1 . ARG 26 26 50888 1 . VAL 27 27 50888 1 . HIS 28 28 50888 1 . LYS 29 29 50888 1 . THR 30 30 50888 1 . ASP 31 31 50888 1 . LEU 32 32 50888 1 . GLU 33 33 50888 1 . ARG 34 34 50888 1 . MET 35 35 50888 1 . LEU 36 36 50888 1 . GLU 37 37 50888 1 . ALA 38 38 50888 1 . ASN 39 39 50888 1 . ASP 40 40 50888 1 . GLY 41 41 50888 1 . SER 42 42 50888 1 . GLY 43 43 50888 1 . MET 44 44 50888 1 . LEU 45 45 50888 1 . ASP 46 46 50888 1 . GLU 47 47 50888 1 . ASP 48 48 50888 1 . GLU 49 49 50888 1 . GLU 50 50 50888 1 . ASP 51 51 50888 1 . LEU 52 52 50888 1 . GLN 53 53 50888 1 . ARG 54 54 50888 1 . ALA 55 55 50888 1 . LEU 56 56 50888 1 . ALA 57 57 50888 1 . LEU 58 58 50888 1 . SER 59 59 50888 1 . ARG 60 60 50888 1 . GLN 61 61 50888 1 . GLU 62 62 50888 1 . ILE 63 63 50888 1 . ASP 64 64 50888 1 . MET 65 65 50888 1 . GLU 66 66 50888 1 . ASP 67 67 50888 1 . GLU 68 68 50888 1 . GLU 69 69 50888 1 . ALA 70 70 50888 1 . ASP 71 71 50888 1 . LEU 72 72 50888 1 . ARG 73 73 50888 1 . ARG 74 74 50888 1 . ALA 75 75 50888 1 . ILE 76 76 50888 1 . GLN 77 77 50888 1 . LEU 78 78 50888 1 . SER 79 79 50888 1 . MET 80 80 50888 1 . GLN 81 81 50888 1 . GLY 82 82 50888 1 . SER 83 83 50888 1 . SER 84 84 50888 1 . ARG 85 85 50888 1 . ASN 86 86 50888 1 . ILE 87 87 50888 1 . SER 88 88 50888 1 . GLN 89 89 50888 1 . ASP 90 90 50888 1 . MET 91 91 50888 1 . THR 92 92 50888 1 . GLN 93 93 50888 1 . THR 94 94 50888 1 . SER 95 95 50888 1 . GLY 96 96 50888 1 . THR 97 97 50888 1 . ASN 98 98 50888 1 . LEU 99 99 50888 1 . THR 100 100 50888 1 . SER 101 101 50888 1 . GLU 102 102 50888 1 . GLU 103 103 50888 1 . LEU 104 104 50888 1 . ARG 105 105 50888 1 . LYS 106 106 50888 1 . ARG 107 107 50888 1 . ARG 108 108 50888 1 . GLU 109 109 50888 1 . ALA 110 110 50888 1 . TYR 111 111 50888 1 . PHE 112 112 50888 1 . GLU 113 113 50888 1 . LYS 114 114 50888 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 50888 _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 . . . . . . . . . . . . . 50888 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 50888 _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 BL21 . . plasmid . . pGEX-6P-1 . . . 50888 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50888 _Sample.ID 1 _Sample.Name sample_1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 90% Phosphate Buffered Saline buffer, pH 7.4, 150 mM sodium chloride, 10% D2O, and 4,4-dimethyl-4-silapentane-1-sulfonic acid. ; _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 ataxin-3 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 50888 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 50888 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 50888 1 4 'Phosphate Buffered Saline buffer' 'natural abundance' . . . . . . 90 . . % . . . . 50888 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 50888 _Sample_condition_list.ID 1 _Sample_condition_list.Name sample_25C _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 . pH 50888 1 pressure 1 . atm 50888 1 temperature 298.15 . K 50888 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50888 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50888 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50888 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50888 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50888 _Software.ID 3 _Software.Type . _Software.Name VNMRj _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50888 3 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 50888 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name spectrometer_1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 50888 _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 . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50888 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50888 1 3 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50888 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50888 1 5 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50888 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50888 1 7 '3D CBCANH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50888 1 8 '3D CC(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50888 1 9 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50888 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 50888 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name chemical_shift_reference_1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50888 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50888 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50888 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 50888 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chem_shift_list_ataxin-3 _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' . . . 50888 1 2 '3D HNCA' . . . 50888 1 3 '3D HN(CO)CA' . . . 50888 1 4 '3D HNCO' . . . 50888 1 5 '3D HN(CA)CO' . . . 50888 1 6 '3D CBCA(CO)NH' . . . 50888 1 7 '3D CBCANH' . . . 50888 1 8 '3D CC(CO)NH' . . . 50888 1 9 '3D H(CCO)NH' . . . 50888 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 2 $software_2 . . 50888 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 1 1 GLY H H 1 8.354 . . 1 . . . . . 1 GLY H . 50888 1 2 . 1 . 1 1 1 GLY C C 13 174.367 . . 1 . . . . . 1 GLY C . 50888 1 3 . 1 . 1 1 1 GLY N N 15 109.388 . . 1 . . . . . 1 GLY N . 50888 1 4 . 1 . 1 2 2 PRO C C 13 177.120 . . 1 . . . . . 2 PRO C . 50888 1 5 . 1 . 1 2 2 PRO CA C 13 63.155 . . 1 . . . . . 2 PRO CA . 50888 1 6 . 1 . 1 2 2 PRO CD C 13 49.882 . . 1 . . . . . 2 PRO CD . 50888 1 7 . 1 . 1 3 3 LEU H H 1 8.507 . . 1 . . . . . 3 LEU H . 50888 1 8 . 1 . 1 3 3 LEU C C 13 177.991 . . 1 . . . . . 3 LEU C . 50888 1 9 . 1 . 1 3 3 LEU CA C 13 55.425 . . 1 . . . . . 3 LEU CA . 50888 1 10 . 1 . 1 3 3 LEU CB C 13 42.394 . . 1 . . . . . 3 LEU CB . 50888 1 11 . 1 . 1 3 3 LEU N N 15 122.451 . . 1 . . . . . 3 LEU N . 50888 1 12 . 1 . 1 4 4 GLY H H 1 8.392 . . 1 . . . . . 4 GLY H . 50888 1 13 . 1 . 1 4 4 GLY C C 13 174.231 . . 1 . . . . . 4 GLY C . 50888 1 14 . 1 . 1 4 4 GLY CA C 13 45.440 . . 1 . . . . . 4 GLY CA . 50888 1 15 . 1 . 1 4 4 GLY N N 15 109.773 . . 1 . . . . . 4 GLY N . 50888 1 16 . 1 . 1 5 5 SER H H 1 8.041 . . 1 . . . . . 5 SER H . 50888 1 17 . 1 . 1 5 5 SER C C 13 174.824 . . 1 . . . . . 5 SER C . 50888 1 18 . 1 . 1 5 5 SER CA C 13 58.322 . . 1 . . . . . 5 SER CA . 50888 1 19 . 1 . 1 5 5 SER CB C 13 63.942 . . 1 . . . . . 5 SER CB . 50888 1 20 . 1 . 1 5 5 SER N N 15 113.434 . . 1 . . . . . 5 SER N . 50888 1 21 . 1 . 1 6 6 VAL H H 1 8.177 . . 1 . . . . . 6 VAL H . 50888 1 22 . 1 . 1 6 6 VAL C C 13 176.325 . . 1 . . . . . 6 VAL C . 50888 1 23 . 1 . 1 6 6 VAL CA C 13 62.592 . . 1 . . . . . 6 VAL CA . 50888 1 24 . 1 . 1 6 6 VAL CB C 13 32.694 . . 1 . . . . . 6 VAL CB . 50888 1 25 . 1 . 1 6 6 VAL CG1 C 13 20.859 . . 2 . . . . . 6 VAL CG1 . 50888 1 26 . 1 . 1 6 6 VAL CG2 C 13 21.366 . . 2 . . . . . 6 VAL CG2 . 50888 1 27 . 1 . 1 6 6 VAL N N 15 121.705 . . 1 . . . . . 6 VAL N . 50888 1 28 . 1 . 1 7 7 GLN H H 1 8.413 . . 1 . . . . . 7 GLN H . 50888 1 29 . 1 . 1 7 7 GLN C C 13 175.968 . . 1 . . . . . 7 GLN C . 50888 1 30 . 1 . 1 7 7 GLN CA C 13 56.119 . . 1 . . . . . 7 GLN CA . 50888 1 31 . 1 . 1 7 7 GLN CB C 13 29.418 . . 1 . . . . . 7 GLN CB . 50888 1 32 . 1 . 1 7 7 GLN N N 15 123.715 . . 1 . . . . . 7 GLN N . 50888 1 33 . 1 . 1 8 8 GLN H H 1 8.277 . . 1 . . . . . 8 GLN H . 50888 1 34 . 1 . 1 8 8 GLN N N 15 122.117 . . 1 . . . . . 8 GLN N . 50888 1 35 . 1 . 1 11 11 ARG C C 13 178.488 . . 1 . . . . . 11 ARG C . 50888 1 36 . 1 . 1 11 11 ARG CA C 13 53.829 . . 1 . . . . . 11 ARG CA . 50888 1 37 . 1 . 1 11 11 ARG CB C 13 30.207 . . 1 . . . . . 11 ARG CB . 50888 1 38 . 1 . 1 11 11 ARG N N 15 123.792 . . 1 . . . . . 11 ARG N . 50888 1 39 . 1 . 1 12 12 PRO C C 13 175.928 . . 1 . . . . . 12 PRO C . 50888 1 40 . 1 . 1 12 12 PRO CA C 13 63.047 . . 1 . . . . . 12 PRO CA . 50888 1 41 . 1 . 1 12 12 PRO CB C 13 32.247 . . 1 . . . . . 12 PRO CB . 50888 1 42 . 1 . 1 12 12 PRO CG C 13 29.334 . . 1 . . . . . 12 PRO CG . 50888 1 43 . 1 . 1 12 12 PRO CD C 13 50.839 . . 1 . . . . . 12 PRO CD . 50888 1 44 . 1 . 1 13 13 LYS H H 1 8.376 . . 1 . . . . . 13 LYS H . 50888 1 45 . 1 . 1 13 13 LYS C C 13 176.473 . . 1 . . . . . 13 LYS C . 50888 1 46 . 1 . 1 13 13 LYS CA C 13 56.298 . . 1 . . . . . 13 LYS CA . 50888 1 47 . 1 . 1 13 13 LYS CB C 13 33.086 . . 1 . . . . . 13 LYS CB . 50888 1 48 . 1 . 1 13 13 LYS CG C 13 24.981 . . 1 . . . . . 13 LYS CG . 50888 1 49 . 1 . 1 13 13 LYS CD C 13 29.350 . . 1 . . . . . 13 LYS CD . 50888 1 50 . 1 . 1 13 13 LYS CE C 13 42.445 . . 1 . . . . . 13 LYS CE . 50888 1 51 . 1 . 1 13 13 LYS N N 15 121.664 . . 1 . . . . . 13 LYS N . 50888 1 52 . 1 . 1 14 14 LEU H H 1 8.301 . . 1 . . . . . 14 LEU H . 50888 1 53 . 1 . 1 14 14 LEU C C 13 177.096 . . 1 . . . . . 14 LEU C . 50888 1 54 . 1 . 1 14 14 LEU CA C 13 54.854 . . 1 . . . . . 14 LEU CA . 50888 1 55 . 1 . 1 14 14 LEU CB C 13 42.407 . . 1 . . . . . 14 LEU CB . 50888 1 56 . 1 . 1 14 14 LEU CG C 13 27.302 . . 1 . . . . . 14 LEU CG . 50888 1 57 . 1 . 1 14 14 LEU CD1 C 13 23.758 . . 2 . . . . . 14 LEU CD1 . 50888 1 58 . 1 . 1 14 14 LEU CD2 C 13 25.292 . . 2 . . . . . 14 LEU CD2 . 50888 1 59 . 1 . 1 14 14 LEU N N 15 124.058 . . 1 . . . . . 14 LEU N . 50888 1 60 . 1 . 1 15 15 ILE H H 1 8.220 . . 1 . . . . . 15 ILE H . 50888 1 61 . 1 . 1 15 15 ILE C C 13 176.770 . . 1 . . . . . 15 ILE C . 50888 1 62 . 1 . 1 15 15 ILE CA C 13 61.300 . . 1 . . . . . 15 ILE CA . 50888 1 63 . 1 . 1 15 15 ILE CB C 13 38.963 . . 1 . . . . . 15 ILE CB . 50888 1 64 . 1 . 1 15 15 ILE CG1 C 13 27.573 . . 1 . . . . . 15 ILE CG1 . 50888 1 65 . 1 . 1 15 15 ILE CG2 C 13 17.695 . . 1 . . . . . 15 ILE CG2 . 50888 1 66 . 1 . 1 15 15 ILE CD1 C 13 17.695 . . 1 . . . . . 15 ILE CD1 . 50888 1 67 . 1 . 1 15 15 ILE N N 15 121.666 . . 1 . . . . . 15 ILE N . 50888 1 68 . 1 . 1 16 16 GLY H H 1 8.528 . . 1 . . . . . 16 GLY H . 50888 1 69 . 1 . 1 16 16 GLY C C 13 174.701 . . 1 . . . . . 16 GLY C . 50888 1 70 . 1 . 1 16 16 GLY CA C 13 45.633 . . 1 . . . . . 16 GLY CA . 50888 1 71 . 1 . 1 16 16 GLY N N 15 112.633 . . 1 . . . . . 16 GLY N . 50888 1 72 . 1 . 1 17 17 GLU H H 1 8.293 . . 1 . . . . . 17 GLU H . 50888 1 73 . 1 . 1 17 17 GLU C C 13 176.519 . . 1 . . . . . 17 GLU C . 50888 1 74 . 1 . 1 17 17 GLU CG C 13 36.614 . . 1 . . . . . 17 GLU CG . 50888 1 75 . 1 . 1 17 17 GLU N N 15 121.271 . . 1 . . . . . 17 GLU N . 50888 1 76 . 1 . 1 18 18 GLU C C 13 177.157 . . 1 . . . . . 18 GLU C . 50888 1 77 . 1 . 1 18 18 GLU CB C 13 29.989 . . 1 . . . . . 18 GLU CB . 50888 1 78 . 1 . 1 18 18 GLU CG C 13 36.581 . . 1 . . . . . 18 GLU CG . 50888 1 79 . 1 . 1 18 18 GLU N N 15 121.324 . . 1 . . . . . 18 GLU N . 50888 1 80 . 1 . 1 19 19 LEU H H 1 8.103 . . 1 . . . . . 19 LEU H . 50888 1 81 . 1 . 1 19 19 LEU C C 13 177.766 . . 1 . . . . . 19 LEU C . 50888 1 82 . 1 . 1 19 19 LEU CA C 13 55.789 . . 1 . . . . . 19 LEU CA . 50888 1 83 . 1 . 1 19 19 LEU CB C 13 42.046 . . 1 . . . . . 19 LEU CB . 50888 1 84 . 1 . 1 19 19 LEU CG C 13 27.274 . . 1 . . . . . 19 LEU CG . 50888 1 85 . 1 . 1 19 19 LEU CD1 C 13 23.877 . . 2 . . . . . 19 LEU CD1 . 50888 1 86 . 1 . 1 19 19 LEU CD2 C 13 25.152 . . 2 . . . . . 19 LEU CD2 . 50888 1 87 . 1 . 1 19 19 LEU N N 15 122.140 . . 1 . . . . . 19 LEU N . 50888 1 88 . 1 . 1 20 20 ALA H H 1 8.125 . . 1 . . . . . 20 ALA H . 50888 1 89 . 1 . 1 20 20 ALA C C 13 178.351 . . 1 . . . . . 20 ALA C . 50888 1 90 . 1 . 1 20 20 ALA CA C 13 53.392 . . 1 . . . . . 20 ALA CA . 50888 1 91 . 1 . 1 20 20 ALA CB C 13 18.889 . . 1 . . . . . 20 ALA CB . 50888 1 92 . 1 . 1 20 20 ALA N N 15 123.560 . . 1 . . . . . 20 ALA N . 50888 1 93 . 1 . 1 21 21 GLN H H 1 8.138 . . 1 . . . . . 21 GLN H . 50888 1 94 . 1 . 1 21 21 GLN C C 13 176.505 . . 1 . . . . . 21 GLN C . 50888 1 95 . 1 . 1 21 21 GLN CA C 13 56.310 . . 1 . . . . . 21 GLN CA . 50888 1 96 . 1 . 1 21 21 GLN CB C 13 29.159 . . 1 . . . . . 21 GLN CB . 50888 1 97 . 1 . 1 21 21 GLN CG C 13 34.068 . . 1 . . . . . 21 GLN CG . 50888 1 98 . 1 . 1 21 21 GLN N N 15 118.047 . . 1 . . . . . 21 GLN N . 50888 1 99 . 1 . 1 22 22 LEU H H 1 8.023 . . 1 . . . . . 22 LEU H . 50888 1 100 . 1 . 1 22 22 LEU C C 13 177.820 . . 1 . . . . . 22 LEU C . 50888 1 101 . 1 . 1 22 22 LEU CA C 13 55.766 . . 1 . . . . . 22 LEU CA . 50888 1 102 . 1 . 1 22 22 LEU CB C 13 42.155 . . 1 . . . . . 22 LEU CB . 50888 1 103 . 1 . 1 22 22 LEU CG C 13 27.241 . . 1 . . . . . 22 LEU CG . 50888 1 104 . 1 . 1 22 22 LEU CD1 C 13 23.737 . . 2 . . . . . 22 LEU CD1 . 50888 1 105 . 1 . 1 22 22 LEU CD2 C 13 25.268 . . 2 . . . . . 22 LEU CD2 . 50888 1 106 . 1 . 1 22 22 LEU N N 15 122.326 . . 1 . . . . . 22 LEU N . 50888 1 107 . 1 . 1 23 23 LYS H H 1 8.171 . . 1 . . . . . 23 LYS H . 50888 1 108 . 1 . 1 23 23 LYS C C 13 176.934 . . 1 . . . . . 23 LYS C . 50888 1 109 . 1 . 1 23 23 LYS CA C 13 56.966 . . 1 . . . . . 23 LYS CA . 50888 1 110 . 1 . 1 23 23 LYS CB C 13 32.904 . . 1 . . . . . 23 LYS CB . 50888 1 111 . 1 . 1 23 23 LYS CG C 13 24.967 . . 1 . . . . . 23 LYS CG . 50888 1 112 . 1 . 1 23 23 LYS CD C 13 29.265 . . 1 . . . . . 23 LYS CD . 50888 1 113 . 1 . 1 23 23 LYS N N 15 121.245 . . 1 . . . . . 23 LYS N . 50888 1 114 . 1 . 1 24 24 GLU H H 1 8.249 . . 1 . . . . . 24 GLU H . 50888 1 115 . 1 . 1 24 24 GLU CB C 13 30.196 . . 1 . . . . . 24 GLU CB . 50888 1 116 . 1 . 1 24 24 GLU N N 15 120.811 . . 1 . . . . . 24 GLU N . 50888 1 117 . 1 . 1 26 26 ARG CD C 13 43.603 . . 1 . . . . . 26 ARG CD . 50888 1 118 . 1 . 1 27 27 VAL CG2 C 13 25.216 . . 2 . . . . . 27 VAL CG2 . 50888 1 119 . 1 . 1 28 28 HIS H H 1 7.960 . . 1 . . . . . 28 HIS H . 50888 1 120 . 1 . 1 28 28 HIS CA C 13 57.680 . . 1 . . . . . 28 HIS CA . 50888 1 121 . 1 . 1 28 28 HIS CB C 13 28.985 . . 1 . . . . . 28 HIS CB . 50888 1 122 . 1 . 1 28 28 HIS N N 15 119.795 . . 1 . . . . . 28 HIS N . 50888 1 123 . 1 . 1 29 29 LYS H H 1 8.224 . . 1 . . . . . 29 LYS H . 50888 1 124 . 1 . 1 29 29 LYS C C 13 176.841 . . 1 . . . . . 29 LYS C . 50888 1 125 . 1 . 1 29 29 LYS CA C 13 56.566 . . 1 . . . . . 29 LYS CA . 50888 1 126 . 1 . 1 29 29 LYS CB C 13 33.610 . . 1 . . . . . 29 LYS CB . 50888 1 127 . 1 . 1 29 29 LYS CG C 13 25.046 . . 1 . . . . . 29 LYS CG . 50888 1 128 . 1 . 1 29 29 LYS N N 15 121.109 . . 1 . . . . . 29 LYS N . 50888 1 129 . 1 . 1 30 30 THR H H 1 8.431 . . 1 . . . . . 30 THR H . 50888 1 130 . 1 . 1 30 30 THR C C 13 174.776 . . 1 . . . . . 30 THR C . 50888 1 131 . 1 . 1 30 30 THR CA C 13 61.915 . . 1 . . . . . 30 THR CA . 50888 1 132 . 1 . 1 30 30 THR CB C 13 70.214 . . 1 . . . . . 30 THR CB . 50888 1 133 . 1 . 1 30 30 THR CG2 C 13 21.962 . . 1 . . . . . 30 THR CG2 . 50888 1 134 . 1 . 1 30 30 THR N N 15 114.521 . . 1 . . . . . 30 THR N . 50888 1 135 . 1 . 1 31 31 ASP H H 1 8.469 . . 1 . . . . . 31 ASP H . 50888 1 136 . 1 . 1 31 31 ASP C C 13 177.305 . . 1 . . . . . 31 ASP C . 50888 1 137 . 1 . 1 31 31 ASP CA C 13 55.755 . . 1 . . . . . 31 ASP CA . 50888 1 138 . 1 . 1 31 31 ASP CB C 13 40.620 . . 1 . . . . . 31 ASP CB . 50888 1 139 . 1 . 1 31 31 ASP N N 15 121.939 . . 1 . . . . . 31 ASP N . 50888 1 140 . 1 . 1 32 32 LEU H H 1 8.085 . . 1 . . . . . 32 LEU H . 50888 1 141 . 1 . 1 32 32 LEU C C 13 178.282 . . 1 . . . . . 32 LEU C . 50888 1 142 . 1 . 1 32 32 LEU CA C 13 56.780 . . 1 . . . . . 32 LEU CA . 50888 1 143 . 1 . 1 32 32 LEU CB C 13 42.178 . . 1 . . . . . 32 LEU CB . 50888 1 144 . 1 . 1 32 32 LEU CG C 13 27.236 . . 1 . . . . . 32 LEU CG . 50888 1 145 . 1 . 1 32 32 LEU CD1 C 13 24.148 . . 2 . . . . . 32 LEU CD1 . 50888 1 146 . 1 . 1 32 32 LEU CD2 C 13 24.974 . . 2 . . . . . 32 LEU CD2 . 50888 1 147 . 1 . 1 32 32 LEU N N 15 121.410 . . 1 . . . . . 32 LEU N . 50888 1 148 . 1 . 1 33 33 GLU H H 1 8.067 . . 1 . . . . . 33 GLU H . 50888 1 149 . 1 . 1 33 33 GLU C C 13 177.865 . . 1 . . . . . 33 GLU C . 50888 1 150 . 1 . 1 33 33 GLU CA C 13 58.135 . . 1 . . . . . 33 GLU CA . 50888 1 151 . 1 . 1 33 33 GLU CB C 13 30.023 . . 1 . . . . . 33 GLU CB . 50888 1 152 . 1 . 1 33 33 GLU CG C 13 37.102 . . 1 . . . . . 33 GLU CG . 50888 1 153 . 1 . 1 33 33 GLU N N 15 119.455 . . 1 . . . . . 33 GLU N . 50888 1 154 . 1 . 1 34 34 ARG H H 1 8.053 . . 1 . . . . . 34 ARG H . 50888 1 155 . 1 . 1 34 34 ARG C C 13 177.364 . . 1 . . . . . 34 ARG C . 50888 1 156 . 1 . 1 34 34 ARG CA C 13 57.457 . . 1 . . . . . 34 ARG CA . 50888 1 157 . 1 . 1 34 34 ARG CB C 13 30.494 . . 1 . . . . . 34 ARG CB . 50888 1 158 . 1 . 1 34 34 ARG CG C 13 27.857 . . 1 . . . . . 34 ARG CG . 50888 1 159 . 1 . 1 34 34 ARG CD C 13 43.586 . . 1 . . . . . 34 ARG CD . 50888 1 160 . 1 . 1 34 34 ARG N N 15 119.648 . . 1 . . . . . 34 ARG N . 50888 1 161 . 1 . 1 35 35 MET H H 1 8.118 . . 1 . . . . . 35 MET H . 50888 1 162 . 1 . 1 35 35 MET C C 13 177.027 . . 1 . . . . . 35 MET C . 50888 1 163 . 1 . 1 35 35 MET CA C 13 56.753 . . 1 . . . . . 35 MET CA . 50888 1 164 . 1 . 1 35 35 MET CB C 13 32.689 . . 1 . . . . . 35 MET CB . 50888 1 165 . 1 . 1 35 35 MET CG C 13 32.313 . . 1 . . . . . 35 MET CG . 50888 1 166 . 1 . 1 35 35 MET N N 15 120.177 . . 1 . . . . . 35 MET N . 50888 1 167 . 1 . 1 36 36 LEU H H 1 8.074 . . 1 . . . . . 36 LEU H . 50888 1 168 . 1 . 1 36 36 LEU C C 13 177.971 . . 1 . . . . . 36 LEU C . 50888 1 169 . 1 . 1 36 36 LEU CA C 13 55.918 . . 1 . . . . . 36 LEU CA . 50888 1 170 . 1 . 1 36 36 LEU CB C 13 42.180 . . 1 . . . . . 36 LEU CB . 50888 1 171 . 1 . 1 36 36 LEU CG C 13 27.592 . . 1 . . . . . 36 LEU CG . 50888 1 172 . 1 . 1 36 36 LEU CD1 C 13 23.469 . . 2 . . . . . 36 LEU CD1 . 50888 1 173 . 1 . 1 36 36 LEU CD2 C 13 25.347 . . 2 . . . . . 36 LEU CD2 . 50888 1 174 . 1 . 1 36 36 LEU N N 15 121.490 . . 1 . . . . . 36 LEU N . 50888 1 175 . 1 . 1 37 37 GLU H H 1 8.065 . . 1 . . . . . 37 GLU H . 50888 1 176 . 1 . 1 37 37 GLU C C 13 176.512 . . 1 . . . . . 37 GLU C . 50888 1 177 . 1 . 1 37 37 GLU CA C 13 56.853 . . 1 . . . . . 37 GLU CA . 50888 1 178 . 1 . 1 37 37 GLU CB C 13 30.318 . . 1 . . . . . 37 GLU CB . 50888 1 179 . 1 . 1 37 37 GLU CG C 13 36.635 . . 1 . . . . . 37 GLU CG . 50888 1 180 . 1 . 1 37 37 GLU N N 15 120.239 . . 1 . . . . . 37 GLU N . 50888 1 181 . 1 . 1 38 38 ALA H H 1 8.059 . . 1 . . . . . 38 ALA H . 50888 1 182 . 1 . 1 38 38 ALA C C 13 177.626 . . 1 . . . . . 38 ALA C . 50888 1 183 . 1 . 1 38 38 ALA CA C 13 52.745 . . 1 . . . . . 38 ALA CA . 50888 1 184 . 1 . 1 38 38 ALA CB C 13 19.164 . . 1 . . . . . 38 ALA CB . 50888 1 185 . 1 . 1 38 38 ALA N N 15 123.729 . . 1 . . . . . 38 ALA N . 50888 1 186 . 1 . 1 39 39 ASN H H 1 8.299 . . 1 . . . . . 39 ASN H . 50888 1 187 . 1 . 1 39 39 ASN HD21 H 1 6.929 . . 2 . . . . . 39 ASN HD21 . 50888 1 188 . 1 . 1 39 39 ASN C C 13 175.112 . . 1 . . . . . 39 ASN C . 50888 1 189 . 1 . 1 39 39 ASN CA C 13 53.336 . . 1 . . . . . 39 ASN CA . 50888 1 190 . 1 . 1 39 39 ASN CB C 13 39.111 . . 1 . . . . . 39 ASN CB . 50888 1 191 . 1 . 1 39 39 ASN N N 15 117.841 . . 1 . . . . . 39 ASN N . 50888 1 192 . 1 . 1 39 39 ASN ND2 N 15 112.648 . . 1 . . . . . 39 ASN ND2 . 50888 1 193 . 1 . 1 40 40 ASP H H 1 8.279 . . 1 . . . . . 40 ASP H . 50888 1 194 . 1 . 1 40 40 ASP C C 13 176.982 . . 1 . . . . . 40 ASP C . 50888 1 195 . 1 . 1 40 40 ASP CA C 13 54.385 . . 1 . . . . . 40 ASP CA . 50888 1 196 . 1 . 1 40 40 ASP CB C 13 41.080 . . 1 . . . . . 40 ASP CB . 50888 1 197 . 1 . 1 40 40 ASP N N 15 120.751 . . 1 . . . . . 40 ASP N . 50888 1 198 . 1 . 1 41 41 GLY H H 1 8.406 . . 1 . . . . . 41 GLY H . 50888 1 199 . 1 . 1 41 41 GLY C C 13 174.831 . . 1 . . . . . 41 GLY C . 50888 1 200 . 1 . 1 41 41 GLY CA C 13 45.640 . . 1 . . . . . 41 GLY CA . 50888 1 201 . 1 . 1 41 41 GLY N N 15 109.381 . . 1 . . . . . 41 GLY N . 50888 1 202 . 1 . 1 42 42 SER H H 1 8.291 . . 1 . . . . . 42 SER H . 50888 1 203 . 1 . 1 42 42 SER C C 13 175.280 . . 1 . . . . . 42 SER C . 50888 1 204 . 1 . 1 42 42 SER CA C 13 59.120 . . 1 . . . . . 42 SER CA . 50888 1 205 . 1 . 1 42 42 SER CB C 13 63.874 . . 1 . . . . . 42 SER CB . 50888 1 206 . 1 . 1 42 42 SER N N 15 116.020 . . 1 . . . . . 42 SER N . 50888 1 207 . 1 . 1 43 43 GLY H H 1 8.514 . . 1 . . . . . 43 GLY H . 50888 1 208 . 1 . 1 43 43 GLY C C 13 174.049 . . 1 . . . . . 43 GLY C . 50888 1 209 . 1 . 1 43 43 GLY CA C 13 45.441 . . 1 . . . . . 43 GLY CA . 50888 1 210 . 1 . 1 43 43 GLY N N 15 110.777 . . 1 . . . . . 43 GLY N . 50888 1 211 . 1 . 1 44 44 MET H H 1 8.138 . . 1 . . . . . 44 MET H . 50888 1 212 . 1 . 1 44 44 MET C C 13 176.072 . . 1 . . . . . 44 MET C . 50888 1 213 . 1 . 1 44 44 MET CA C 13 55.456 . . 1 . . . . . 44 MET CA . 50888 1 214 . 1 . 1 44 44 MET CB C 13 33.080 . . 1 . . . . . 44 MET CB . 50888 1 215 . 1 . 1 44 44 MET CG C 13 32.262 . . 1 . . . . . 44 MET CG . 50888 1 216 . 1 . 1 44 44 MET N N 15 119.672 . . 1 . . . . . 44 MET N . 50888 1 217 . 1 . 1 45 45 LEU H H 1 8.318 . . 1 . . . . . 45 LEU H . 50888 1 218 . 1 . 1 45 45 LEU C C 13 176.989 . . 1 . . . . . 45 LEU C . 50888 1 219 . 1 . 1 45 45 LEU CA C 13 54.983 . . 1 . . . . . 45 LEU CA . 50888 1 220 . 1 . 1 45 45 LEU CB C 13 42.593 . . 1 . . . . . 45 LEU CB . 50888 1 221 . 1 . 1 45 45 LEU CG C 13 27.312 . . 1 . . . . . 45 LEU CG . 50888 1 222 . 1 . 1 45 45 LEU CD1 C 13 23.744 . . 2 . . . . . 45 LEU CD1 . 50888 1 223 . 1 . 1 45 45 LEU CD2 C 13 25.292 . . 2 . . . . . 45 LEU CD2 . 50888 1 224 . 1 . 1 45 45 LEU N N 15 123.252 . . 1 . . . . . 45 LEU N . 50888 1 225 . 1 . 1 46 46 ASP H H 1 8.394 . . 1 . . . . . 46 ASP H . 50888 1 226 . 1 . 1 46 46 ASP C C 13 176.403 . . 1 . . . . . 46 ASP C . 50888 1 227 . 1 . 1 46 46 ASP CA C 13 54.429 . . 1 . . . . . 46 ASP CA . 50888 1 228 . 1 . 1 46 46 ASP CB C 13 41.283 . . 1 . . . . . 46 ASP CB . 50888 1 229 . 1 . 1 46 46 ASP N N 15 121.798 . . 1 . . . . . 46 ASP N . 50888 1 230 . 1 . 1 47 47 GLU H H 1 8.412 . . 1 . . . . . 47 GLU H . 50888 1 231 . 1 . 1 47 47 GLU C C 13 176.450 . . 1 . . . . . 47 GLU C . 50888 1 232 . 1 . 1 47 47 GLU CA C 13 57.149 . . 1 . . . . . 47 GLU CA . 50888 1 233 . 1 . 1 47 47 GLU CB C 13 30.516 . . 1 . . . . . 47 GLU CB . 50888 1 234 . 1 . 1 47 47 GLU CG C 13 36.629 . . 1 . . . . . 47 GLU CG . 50888 1 235 . 1 . 1 47 47 GLU N N 15 121.219 . . 1 . . . . . 47 GLU N . 50888 1 236 . 1 . 1 48 48 ASP H H 1 8.410 . . 1 . . . . . 48 ASP H . 50888 1 237 . 1 . 1 48 48 ASP C C 13 176.893 . . 1 . . . . . 48 ASP C . 50888 1 238 . 1 . 1 48 48 ASP CA C 13 54.796 . . 1 . . . . . 48 ASP CA . 50888 1 239 . 1 . 1 48 48 ASP CB C 13 41.350 . . 1 . . . . . 48 ASP CB . 50888 1 240 . 1 . 1 48 48 ASP N N 15 121.202 . . 1 . . . . . 48 ASP N . 50888 1 241 . 1 . 1 49 49 GLU H H 1 8.330 . . 1 . . . . . 49 GLU H . 50888 1 242 . 1 . 1 49 49 GLU C C 13 177.488 . . 1 . . . . . 49 GLU C . 50888 1 243 . 1 . 1 49 49 GLU CA C 13 57.800 . . 1 . . . . . 49 GLU CA . 50888 1 244 . 1 . 1 49 49 GLU CB C 13 30.179 . . 1 . . . . . 49 GLU CB . 50888 1 245 . 1 . 1 49 49 GLU CG C 13 36.545 . . 1 . . . . . 49 GLU CG . 50888 1 246 . 1 . 1 49 49 GLU N N 15 122.124 . . 1 . . . . . 49 GLU N . 50888 1 247 . 1 . 1 50 50 GLU H H 1 8.441 . . 1 . . . . . 50 GLU H . 50888 1 248 . 1 . 1 50 50 GLU C C 13 177.675 . . 1 . . . . . 50 GLU C . 50888 1 249 . 1 . 1 50 50 GLU CA C 13 58.232 . . 1 . . . . . 50 GLU CA . 50888 1 250 . 1 . 1 50 50 GLU CB C 13 29.987 . . 1 . . . . . 50 GLU CB . 50888 1 251 . 1 . 1 50 50 GLU CG C 13 39.337 . . 1 . . . . . 50 GLU CG . 50888 1 252 . 1 . 1 50 50 GLU N N 15 121.188 . . 1 . . . . . 50 GLU N . 50888 1 253 . 1 . 1 51 51 ASP H H 1 8.279 . . 1 . . . . . 51 ASP H . 50888 1 254 . 1 . 1 51 51 ASP C C 13 177.937 . . 1 . . . . . 51 ASP C . 50888 1 255 . 1 . 1 51 51 ASP CA C 13 55.841 . . 1 . . . . . 51 ASP CA . 50888 1 256 . 1 . 1 51 51 ASP CB C 13 40.977 . . 1 . . . . . 51 ASP CB . 50888 1 257 . 1 . 1 51 51 ASP N N 15 120.849 . . 1 . . . . . 51 ASP N . 50888 1 258 . 1 . 1 52 52 LEU H H 1 8.127 . . 1 . . . . . 52 LEU H . 50888 1 259 . 1 . 1 52 52 LEU C C 13 178.815 . . 1 . . . . . 52 LEU C . 50888 1 260 . 1 . 1 52 52 LEU CA C 13 57.266 . . 1 . . . . . 52 LEU CA . 50888 1 261 . 1 . 1 52 52 LEU CB C 13 41.825 . . 1 . . . . . 52 LEU CB . 50888 1 262 . 1 . 1 52 52 LEU CG C 13 27.233 . . 1 . . . . . 52 LEU CG . 50888 1 263 . 1 . 1 52 52 LEU CD1 C 13 24.096 . . 2 . . . . . 52 LEU CD1 . 50888 1 264 . 1 . 1 52 52 LEU CD2 C 13 24.963 . . 2 . . . . . 52 LEU CD2 . 50888 1 265 . 1 . 1 52 52 LEU N N 15 122.834 . . 1 . . . . . 52 LEU N . 50888 1 266 . 1 . 1 53 53 GLN H H 1 8.227 . . 1 . . . . . 53 GLN H . 50888 1 267 . 1 . 1 53 53 GLN C C 13 178.326 . . 1 . . . . . 53 GLN C . 50888 1 268 . 1 . 1 53 53 GLN CA C 13 57.937 . . 1 . . . . . 53 GLN CA . 50888 1 269 . 1 . 1 53 53 GLN CB C 13 28.244 . . 1 . . . . . 53 GLN CB . 50888 1 270 . 1 . 1 53 53 GLN CG C 13 34.102 . . 1 . . . . . 53 GLN CG . 50888 1 271 . 1 . 1 53 53 GLN N N 15 118.091 . . 1 . . . . . 53 GLN N . 50888 1 272 . 1 . 1 54 54 ARG H H 1 8.037 . . 1 . . . . . 54 ARG H . 50888 1 273 . 1 . 1 54 54 ARG C C 13 177.661 . . 1 . . . . . 54 ARG C . 50888 1 274 . 1 . 1 54 54 ARG CA C 13 58.438 . . 1 . . . . . 54 ARG CA . 50888 1 275 . 1 . 1 54 54 ARG CB C 13 30.309 . . 1 . . . . . 54 ARG CB . 50888 1 276 . 1 . 1 54 54 ARG CG C 13 27.911 . . 1 . . . . . 54 ARG CG . 50888 1 277 . 1 . 1 54 54 ARG CD C 13 43.631 . . 1 . . . . . 54 ARG CD . 50888 1 278 . 1 . 1 54 54 ARG N N 15 120.815 . . 1 . . . . . 54 ARG N . 50888 1 279 . 1 . 1 55 55 ALA H H 1 7.987 . . 1 . . . . . 55 ALA H . 50888 1 280 . 1 . 1 55 55 ALA C C 13 179.778 . . 1 . . . . . 55 ALA C . 50888 1 281 . 1 . 1 55 55 ALA CA C 13 54.163 . . 1 . . . . . 55 ALA CA . 50888 1 282 . 1 . 1 55 55 ALA CB C 13 18.492 . . 1 . . . . . 55 ALA CB . 50888 1 283 . 1 . 1 55 55 ALA N N 15 122.423 . . 1 . . . . . 55 ALA N . 50888 1 284 . 1 . 1 56 56 LEU H H 1 8.091 . . 1 . . . . . 56 LEU H . 50888 1 285 . 1 . 1 56 56 LEU C C 13 178.585 . . 1 . . . . . 56 LEU C . 50888 1 286 . 1 . 1 56 56 LEU CA C 13 56.513 . . 1 . . . . . 56 LEU CA . 50888 1 287 . 1 . 1 56 56 LEU CB C 13 42.070 . . 1 . . . . . 56 LEU CB . 50888 1 288 . 1 . 1 56 56 LEU CG C 13 27.127 . . 1 . . . . . 56 LEU CG . 50888 1 289 . 1 . 1 56 56 LEU CD1 C 13 23.648 . . 2 . . . . . 56 LEU CD1 . 50888 1 290 . 1 . 1 56 56 LEU CD2 C 13 25.158 . . 2 . . . . . 56 LEU CD2 . 50888 1 291 . 1 . 1 56 56 LEU N N 15 119.806 . . 1 . . . . . 56 LEU N . 50888 1 292 . 1 . 1 57 57 ALA H H 1 7.927 . . 1 . . . . . 57 ALA H . 50888 1 293 . 1 . 1 57 57 ALA C C 13 179.074 . . 1 . . . . . 57 ALA C . 50888 1 294 . 1 . 1 57 57 ALA CA C 13 53.779 . . 1 . . . . . 57 ALA CA . 50888 1 295 . 1 . 1 57 57 ALA CB C 13 18.548 . . 1 . . . . . 57 ALA CB . 50888 1 296 . 1 . 1 57 57 ALA N N 15 122.691 . . 1 . . . . . 57 ALA N . 50888 1 297 . 1 . 1 58 58 LEU H H 1 7.926 . . 1 . . . . . 58 LEU H . 50888 1 298 . 1 . 1 58 58 LEU C C 13 178.339 . . 1 . . . . . 58 LEU C . 50888 1 299 . 1 . 1 58 58 LEU CA C 13 56.175 . . 1 . . . . . 58 LEU CA . 50888 1 300 . 1 . 1 58 58 LEU CB C 13 42.194 . . 1 . . . . . 58 LEU CB . 50888 1 301 . 1 . 1 58 58 LEU CG C 13 27.190 . . 1 . . . . . 58 LEU CG . 50888 1 302 . 1 . 1 58 58 LEU CD1 C 13 23.623 . . 2 . . . . . 58 LEU CD1 . 50888 1 303 . 1 . 1 58 58 LEU CD2 C 13 25.252 . . 2 . . . . . 58 LEU CD2 . 50888 1 304 . 1 . 1 58 58 LEU N N 15 119.314 . . 1 . . . . . 58 LEU N . 50888 1 305 . 1 . 1 59 59 SER H H 1 8.037 . . 1 . . . . . 59 SER H . 50888 1 306 . 1 . 1 59 59 SER C C 13 174.939 . . 1 . . . . . 59 SER C . 50888 1 307 . 1 . 1 59 59 SER CA C 13 59.287 . . 1 . . . . . 59 SER CA . 50888 1 308 . 1 . 1 59 59 SER CB C 13 63.660 . . 1 . . . . . 59 SER CB . 50888 1 309 . 1 . 1 59 59 SER N N 15 115.352 . . 1 . . . . . 59 SER N . 50888 1 310 . 1 . 1 60 60 ARG H H 1 8.033 . . 1 . . . . . 60 ARG H . 50888 1 311 . 1 . 1 60 60 ARG C C 13 176.375 . . 1 . . . . . 60 ARG C . 50888 1 312 . 1 . 1 60 60 ARG CA C 13 56.500 . . 1 . . . . . 60 ARG CA . 50888 1 313 . 1 . 1 60 60 ARG CB C 13 30.645 . . 1 . . . . . 60 ARG CB . 50888 1 314 . 1 . 1 60 60 ARG CG C 13 27.523 . . 1 . . . . . 60 ARG CG . 50888 1 315 . 1 . 1 60 60 ARG CD C 13 43.650 . . 1 . . . . . 60 ARG CD . 50888 1 316 . 1 . 1 60 60 ARG N N 15 121.959 . . 1 . . . . . 60 ARG N . 50888 1 317 . 1 . 1 61 61 GLN H H 1 8.193 . . 1 . . . . . 61 GLN H . 50888 1 318 . 1 . 1 61 61 GLN HE21 H 1 6.841 . . 2 . . . . . 61 GLN HE21 . 50888 1 319 . 1 . 1 61 61 GLN HE22 H 1 7.529 . . 2 . . . . . 61 GLN HE22 . 50888 1 320 . 1 . 1 61 61 GLN C C 13 176.132 . . 1 . . . . . 61 GLN C . 50888 1 321 . 1 . 1 61 61 GLN CA C 13 56.409 . . 1 . . . . . 61 GLN CA . 50888 1 322 . 1 . 1 61 61 GLN CB C 13 29.517 . . 1 . . . . . 61 GLN CB . 50888 1 323 . 1 . 1 61 61 GLN CG C 13 34.126 . . 1 . . . . . 61 GLN CG . 50888 1 324 . 1 . 1 61 61 GLN N N 15 120.409 . . 1 . . . . . 61 GLN N . 50888 1 325 . 1 . 1 61 61 GLN NE2 N 15 111.831 . . 1 . . . . . 61 GLN NE2 . 50888 1 326 . 1 . 1 62 62 GLU H H 1 8.335 . . 1 . . . . . 62 GLU H . 50888 1 327 . 1 . 1 62 62 GLU C C 13 176.541 . . 1 . . . . . 62 GLU C . 50888 1 328 . 1 . 1 62 62 GLU CA C 13 56.867 . . 1 . . . . . 62 GLU CA . 50888 1 329 . 1 . 1 62 62 GLU CB C 13 30.166 . . 1 . . . . . 62 GLU CB . 50888 1 330 . 1 . 1 62 62 GLU CG C 13 36.534 . . 1 . . . . . 62 GLU CG . 50888 1 331 . 1 . 1 62 62 GLU N N 15 121.391 . . 1 . . . . . 62 GLU N . 50888 1 332 . 1 . 1 63 63 ILE H H 1 8.010 . . 1 . . . . . 63 ILE H . 50888 1 333 . 1 . 1 63 63 ILE C C 13 175.785 . . 1 . . . . . 63 ILE C . 50888 1 334 . 1 . 1 63 63 ILE CA C 13 61.246 . . 1 . . . . . 63 ILE CA . 50888 1 335 . 1 . 1 63 63 ILE CB C 13 39.167 . . 1 . . . . . 63 ILE CB . 50888 1 336 . 1 . 1 63 63 ILE CG1 C 13 27.544 . . 1 . . . . . 63 ILE CG1 . 50888 1 337 . 1 . 1 63 63 ILE CG2 C 13 17.765 . . 1 . . . . . 63 ILE CG2 . 50888 1 338 . 1 . 1 63 63 ILE CD1 C 13 17.765 . . 1 . . . . . 63 ILE CD1 . 50888 1 339 . 1 . 1 63 63 ILE N N 15 120.609 . . 1 . . . . . 63 ILE N . 50888 1 340 . 1 . 1 64 64 ASP H H 1 8.370 . . 1 . . . . . 64 ASP H . 50888 1 341 . 1 . 1 64 64 ASP C C 13 176.261 . . 1 . . . . . 64 ASP C . 50888 1 342 . 1 . 1 64 64 ASP CA C 13 54.452 . . 1 . . . . . 64 ASP CA . 50888 1 343 . 1 . 1 64 64 ASP CB C 13 41.151 . . 1 . . . . . 64 ASP CB . 50888 1 344 . 1 . 1 64 64 ASP N N 15 123.948 . . 1 . . . . . 64 ASP N . 50888 1 345 . 1 . 1 65 65 MET H H 1 8.264 . . 1 . . . . . 65 MET H . 50888 1 346 . 1 . 1 65 65 MET C C 13 176.452 . . 1 . . . . . 65 MET C . 50888 1 347 . 1 . 1 65 65 MET CA C 13 55.823 . . 1 . . . . . 65 MET CA . 50888 1 348 . 1 . 1 65 65 MET CB C 13 33.068 . . 1 . . . . . 65 MET CB . 50888 1 349 . 1 . 1 65 65 MET CG C 13 32.263 . . 1 . . . . . 65 MET CG . 50888 1 350 . 1 . 1 65 65 MET N N 15 121.048 . . 1 . . . . . 65 MET N . 50888 1 351 . 1 . 1 66 66 GLU H H 1 8.464 . . 1 . . . . . 66 GLU H . 50888 1 352 . 1 . 1 66 66 GLU C C 13 176.505 . . 1 . . . . . 66 GLU C . 50888 1 353 . 1 . 1 66 66 GLU CA C 13 57.060 . . 1 . . . . . 66 GLU CA . 50888 1 354 . 1 . 1 66 66 GLU CB C 13 30.226 . . 1 . . . . . 66 GLU CB . 50888 1 355 . 1 . 1 66 66 GLU CG C 13 36.590 . . 1 . . . . . 66 GLU CG . 50888 1 356 . 1 . 1 66 66 GLU N N 15 121.698 . . 1 . . . . . 66 GLU N . 50888 1 357 . 1 . 1 67 67 ASP H H 1 8.293 . . 1 . . . . . 67 ASP H . 50888 1 358 . 1 . 1 67 67 ASP C C 13 176.722 . . 1 . . . . . 67 ASP C . 50888 1 359 . 1 . 1 67 67 ASP CA C 13 54.558 . . 1 . . . . . 67 ASP CA . 50888 1 360 . 1 . 1 67 67 ASP CB C 13 41.325 . . 1 . . . . . 67 ASP CB . 50888 1 361 . 1 . 1 67 67 ASP N N 15 121.361 . . 1 . . . . . 67 ASP N . 50888 1 362 . 1 . 1 68 68 GLU H H 1 8.538 . . 1 . . . . . 68 GLU H . 50888 1 363 . 1 . 1 68 68 GLU C C 13 177.669 . . 1 . . . . . 68 GLU C . 50888 1 364 . 1 . 1 68 68 GLU CA C 13 58.147 . . 1 . . . . . 68 GLU CA . 50888 1 365 . 1 . 1 68 68 GLU CB C 13 30.099 . . 1 . . . . . 68 GLU CB . 50888 1 366 . 1 . 1 68 68 GLU CG C 13 36.644 . . 1 . . . . . 68 GLU CG . 50888 1 367 . 1 . 1 68 68 GLU N N 15 122.070 . . 1 . . . . . 68 GLU N . 50888 1 368 . 1 . 1 69 69 GLU H H 1 8.336 . . 1 . . . . . 69 GLU H . 50888 1 369 . 1 . 1 69 69 GLU C C 13 177.434 . . 1 . . . . . 69 GLU C . 50888 1 370 . 1 . 1 69 69 GLU CA C 13 57.726 . . 1 . . . . . 69 GLU CA . 50888 1 371 . 1 . 1 69 69 GLU CB C 13 29.705 . . 1 . . . . . 69 GLU CB . 50888 1 372 . 1 . 1 69 69 GLU CG C 13 29.915 . . 1 . . . . . 69 GLU CG . 50888 1 373 . 1 . 1 69 69 GLU N N 15 120.236 . . 1 . . . . . 69 GLU N . 50888 1 374 . 1 . 1 70 70 ALA H H 1 8.053 . . 1 . . . . . 70 ALA H . 50888 1 375 . 1 . 1 70 70 ALA C C 13 179.285 . . 1 . . . . . 70 ALA C . 50888 1 376 . 1 . 1 70 70 ALA CA C 13 54.447 . . 1 . . . . . 70 ALA CA . 50888 1 377 . 1 . 1 70 70 ALA CB C 13 18.814 . . 1 . . . . . 70 ALA CB . 50888 1 378 . 1 . 1 70 70 ALA N N 15 123.460 . . 1 . . . . . 70 ALA N . 50888 1 379 . 1 . 1 71 71 ASP H H 1 8.263 . . 1 . . . . . 71 ASP H . 50888 1 380 . 1 . 1 71 71 ASP C C 13 178.067 . . 1 . . . . . 71 ASP C . 50888 1 381 . 1 . 1 71 71 ASP CA C 13 56.195 . . 1 . . . . . 71 ASP CA . 50888 1 382 . 1 . 1 71 71 ASP CB C 13 40.712 . . 1 . . . . . 71 ASP CB . 50888 1 383 . 1 . 1 71 71 ASP N N 15 118.709 . . 1 . . . . . 71 ASP N . 50888 1 384 . 1 . 1 72 72 LEU H H 1 8.014 . . 1 . . . . . 72 LEU H . 50888 1 385 . 1 . 1 72 72 LEU C C 13 178.627 . . 1 . . . . . 72 LEU C . 50888 1 386 . 1 . 1 72 72 LEU CA C 13 57.138 . . 1 . . . . . 72 LEU CA . 50888 1 387 . 1 . 1 72 72 LEU CB C 13 41.775 . . 1 . . . . . 72 LEU CB . 50888 1 388 . 1 . 1 72 72 LEU CG C 13 27.212 . . 1 . . . . . 72 LEU CG . 50888 1 389 . 1 . 1 72 72 LEU CD1 C 13 24.140 . . 2 . . . . . 72 LEU CD1 . 50888 1 390 . 1 . 1 72 72 LEU CD2 C 13 24.888 . . 2 . . . . . 72 LEU CD2 . 50888 1 391 . 1 . 1 72 72 LEU N N 15 122.650 . . 1 . . . . . 72 LEU N . 50888 1 392 . 1 . 1 73 73 ARG H H 1 8.095 . . 1 . . . . . 73 ARG H . 50888 1 393 . 1 . 1 73 73 ARG C C 13 178.248 . . 1 . . . . . 73 ARG C . 50888 1 394 . 1 . 1 73 73 ARG CA C 13 58.480 . . 1 . . . . . 73 ARG CA . 50888 1 395 . 1 . 1 73 73 ARG CB C 13 30.058 . . 1 . . . . . 73 ARG CB . 50888 1 396 . 1 . 1 73 73 ARG CD C 13 43.616 . . 1 . . . . . 73 ARG CD . 50888 1 397 . 1 . 1 73 73 ARG N N 15 118.610 . . 1 . . . . . 73 ARG N . 50888 1 398 . 1 . 1 74 74 ARG H H 1 7.963 . . 1 . . . . . 74 ARG H . 50888 1 399 . 1 . 1 74 74 ARG C C 13 177.296 . . 1 . . . . . 74 ARG C . 50888 1 400 . 1 . 1 74 74 ARG CA C 13 58.160 . . 1 . . . . . 74 ARG CA . 50888 1 401 . 1 . 1 74 74 ARG CB C 13 30.305 . . 1 . . . . . 74 ARG CB . 50888 1 402 . 1 . 1 74 74 ARG CG C 13 30.557 . . 1 . . . . . 74 ARG CG . 50888 1 403 . 1 . 1 74 74 ARG CD C 13 43.631 . . 1 . . . . . 74 ARG CD . 50888 1 404 . 1 . 1 74 74 ARG N N 15 119.812 . . 1 . . . . . 74 ARG N . 50888 1 405 . 1 . 1 75 75 ALA H H 1 7.987 . . 1 . . . . . 75 ALA H . 50888 1 406 . 1 . 1 75 75 ALA C C 13 179.735 . . 1 . . . . . 75 ALA C . 50888 1 407 . 1 . 1 75 75 ALA CA C 13 54.171 . . 1 . . . . . 75 ALA CA . 50888 1 408 . 1 . 1 75 75 ALA CB C 13 18.518 . . 1 . . . . . 75 ALA CB . 50888 1 409 . 1 . 1 75 75 ALA N N 15 122.526 . . 1 . . . . . 75 ALA N . 50888 1 410 . 1 . 1 76 76 ILE H H 1 8.066 . . 1 . . . . . 76 ILE H . 50888 1 411 . 1 . 1 76 76 ILE C C 13 177.810 . . 1 . . . . . 76 ILE C . 50888 1 412 . 1 . 1 76 76 ILE CA C 13 63.172 . . 1 . . . . . 76 ILE CA . 50888 1 413 . 1 . 1 76 76 ILE CB C 13 38.378 . . 1 . . . . . 76 ILE CB . 50888 1 414 . 1 . 1 76 76 ILE CG1 C 13 28.469 . . 1 . . . . . 76 ILE CG1 . 50888 1 415 . 1 . 1 76 76 ILE CG2 C 13 17.575 . . 1 . . . . . 76 ILE CG2 . 50888 1 416 . 1 . 1 76 76 ILE CD1 C 13 17.575 . . 1 . . . . . 76 ILE CD1 . 50888 1 417 . 1 . 1 76 76 ILE N N 15 119.436 . . 1 . . . . . 76 ILE N . 50888 1 418 . 1 . 1 77 77 GLN H H 1 8.140 . . 1 . . . . . 77 GLN H . 50888 1 419 . 1 . 1 77 77 GLN C C 13 177.642 . . 1 . . . . . 77 GLN C . 50888 1 420 . 1 . 1 77 77 GLN CA C 13 57.657 . . 1 . . . . . 77 GLN CA . 50888 1 421 . 1 . 1 77 77 GLN CB C 13 28.802 . . 1 . . . . . 77 GLN CB . 50888 1 422 . 1 . 1 77 77 GLN CG C 13 34.076 . . 1 . . . . . 77 GLN CG . 50888 1 423 . 1 . 1 77 77 GLN N N 15 121.952 . . 1 . . . . . 77 GLN N . 50888 1 424 . 1 . 1 78 78 LEU H H 1 8.225 . . 1 . . . . . 78 LEU H . 50888 1 425 . 1 . 1 78 78 LEU C C 13 178.573 . . 1 . . . . . 78 LEU C . 50888 1 426 . 1 . 1 78 78 LEU CA C 13 56.480 . . 1 . . . . . 78 LEU CA . 50888 1 427 . 1 . 1 78 78 LEU CD1 C 13 23.623 . . 2 . . . . . 78 LEU CD1 . 50888 1 428 . 1 . 1 78 78 LEU CD2 C 13 25.252 . . 2 . . . . . 78 LEU CD2 . 50888 1 429 . 1 . 1 78 78 LEU N N 15 121.139 . . 1 . . . . . 78 LEU N . 50888 1 430 . 1 . 1 79 79 SER H H 1 8.046 . . 1 . . . . . 79 SER H . 50888 1 431 . 1 . 1 79 79 SER C C 13 175.315 . . 1 . . . . . 79 SER C . 50888 1 432 . 1 . 1 79 79 SER CA C 13 59.556 . . 1 . . . . . 79 SER CA . 50888 1 433 . 1 . 1 79 79 SER N N 15 115.257 . . 1 . . . . . 79 SER N . 50888 1 434 . 1 . 1 80 80 MET H H 1 8.088 . . 1 . . . . . 80 MET H . 50888 1 435 . 1 . 1 80 80 MET N N 15 120.992 . . 1 . . . . . 80 MET N . 50888 1 436 . 1 . 1 81 81 GLN C C 13 175.617 . . 1 . . . . . 81 GLN C . 50888 1 437 . 1 . 1 81 81 GLN CB C 13 29.566 . . 1 . . . . . 81 GLN CB . 50888 1 438 . 1 . 1 81 81 GLN NE2 N 15 111.965 . . 1 . . . . . 81 GLN NE2 . 50888 1 439 . 1 . 1 82 82 GLY H H 1 8.309 . . 1 . . . . . 82 GLY H . 50888 1 440 . 1 . 1 82 82 GLY C C 13 176.618 . . 1 . . . . . 82 GLY C . 50888 1 441 . 1 . 1 82 82 GLY N N 15 121.006 . . 1 . . . . . 82 GLY N . 50888 1 442 . 1 . 1 83 83 SER H H 1 8.483 . . 1 . . . . . 83 SER H . 50888 1 443 . 1 . 1 83 83 SER C C 13 177.278 . . 1 . . . . . 83 SER C . 50888 1 444 . 1 . 1 83 83 SER N N 15 122.051 . . 1 . . . . . 83 SER N . 50888 1 445 . 1 . 1 84 84 SER H H 1 8.030 . . 1 . . . . . 84 SER H . 50888 1 446 . 1 . 1 84 84 SER C C 13 174.934 . . 1 . . . . . 84 SER C . 50888 1 447 . 1 . 1 84 84 SER CA C 13 59.275 . . 1 . . . . . 84 SER CA . 50888 1 448 . 1 . 1 84 84 SER N N 15 121.954 . . 1 . . . . . 84 SER N . 50888 1 449 . 1 . 1 85 85 ARG H H 1 8.033 . . 1 . . . . . 85 ARG H . 50888 1 450 . 1 . 1 85 85 ARG C C 13 176.258 . . 1 . . . . . 85 ARG C . 50888 1 451 . 1 . 1 85 85 ARG CA C 13 56.515 . . 1 . . . . . 85 ARG CA . 50888 1 452 . 1 . 1 85 85 ARG CB C 13 30.728 . . 1 . . . . . 85 ARG CB . 50888 1 453 . 1 . 1 85 85 ARG CD C 13 43.622 . . 1 . . . . . 85 ARG CD . 50888 1 454 . 1 . 1 85 85 ARG N N 15 121.961 . . 1 . . . . . 85 ARG N . 50888 1 455 . 1 . 1 86 86 ASN H H 1 8.094 . . 1 . . . . . 86 ASN H . 50888 1 456 . 1 . 1 86 86 ASN HD22 H 1 8.161 . . 2 . . . . . 86 ASN HD22 . 50888 1 457 . 1 . 1 86 86 ASN C C 13 175.133 . . 1 . . . . . 86 ASN C . 50888 1 458 . 1 . 1 86 86 ASN CA C 13 53.229 . . 1 . . . . . 86 ASN CA . 50888 1 459 . 1 . 1 86 86 ASN CB C 13 38.888 . . 1 . . . . . 86 ASN CB . 50888 1 460 . 1 . 1 86 86 ASN N N 15 121.018 . . 1 . . . . . 86 ASN N . 50888 1 461 . 1 . 1 86 86 ASN ND2 N 15 122.606 . . 1 . . . . . 86 ASN ND2 . 50888 1 462 . 1 . 1 87 87 ILE H H 1 8.087 . . 1 . . . . . 87 ILE H . 50888 1 463 . 1 . 1 87 87 ILE C C 13 176.271 . . 1 . . . . . 87 ILE C . 50888 1 464 . 1 . 1 87 87 ILE CA C 13 61.341 . . 1 . . . . . 87 ILE CA . 50888 1 465 . 1 . 1 87 87 ILE CB C 13 38.898 . . 1 . . . . . 87 ILE CB . 50888 1 466 . 1 . 1 87 87 ILE CG1 C 13 27.410 . . 1 . . . . . 87 ILE CG1 . 50888 1 467 . 1 . 1 87 87 ILE CG2 C 13 17.795 . . 1 . . . . . 87 ILE CG2 . 50888 1 468 . 1 . 1 87 87 ILE CD1 C 13 17.795 . . 1 . . . . . 87 ILE CD1 . 50888 1 469 . 1 . 1 87 87 ILE N N 15 121.009 . . 1 . . . . . 87 ILE N . 50888 1 470 . 1 . 1 88 88 SER H H 1 8.327 . . 1 . . . . . 88 SER H . 50888 1 471 . 1 . 1 88 88 SER C C 13 173.520 . . 1 . . . . . 88 SER C . 50888 1 472 . 1 . 1 88 88 SER CA C 13 58.470 . . 1 . . . . . 88 SER CA . 50888 1 473 . 1 . 1 88 88 SER CB C 13 63.827 . . 1 . . . . . 88 SER CB . 50888 1 474 . 1 . 1 88 88 SER N N 15 119.361 . . 1 . . . . . 88 SER N . 50888 1 475 . 1 . 1 89 89 GLN H H 1 7.978 . . 1 . . . . . 89 GLN H . 50888 1 476 . 1 . 1 89 89 GLN CA C 13 57.497 . . 1 . . . . . 89 GLN CA . 50888 1 477 . 1 . 1 89 89 GLN N N 15 127.754 . . 1 . . . . . 89 GLN N . 50888 1 478 . 1 . 1 90 90 ASP CA C 13 53.170 . . 1 . . . . . 90 ASP CA . 50888 1 479 . 1 . 1 90 90 ASP CB C 13 39.056 . . 1 . . . . . 90 ASP CB . 50888 1 480 . 1 . 1 91 91 MET H H 1 7.637 . . 1 . . . . . 91 MET H . 50888 1 481 . 1 . 1 91 91 MET C C 13 176.827 . . 1 . . . . . 91 MET C . 50888 1 482 . 1 . 1 91 91 MET CA C 13 55.713 . . 1 . . . . . 91 MET CA . 50888 1 483 . 1 . 1 91 91 MET CB C 13 32.334 . . 1 . . . . . 91 MET CB . 50888 1 484 . 1 . 1 91 91 MET CG C 13 32.325 . . 1 . . . . . 91 MET CG . 50888 1 485 . 1 . 1 91 91 MET N N 15 112.714 . . 1 . . . . . 91 MET N . 50888 1 486 . 1 . 1 92 92 THR H H 1 8.245 . . 1 . . . . . 92 THR H . 50888 1 487 . 1 . 1 92 92 THR C C 13 174.914 . . 1 . . . . . 92 THR C . 50888 1 488 . 1 . 1 92 92 THR CA C 13 62.764 . . 1 . . . . . 92 THR CA . 50888 1 489 . 1 . 1 92 92 THR CG2 C 13 21.924 . . 1 . . . . . 92 THR CG2 . 50888 1 490 . 1 . 1 92 92 THR N N 15 114.481 . . 1 . . . . . 92 THR N . 50888 1 491 . 1 . 1 93 93 GLN H H 1 8.284 . . 1 . . . . . 93 GLN H . 50888 1 492 . 1 . 1 93 93 GLN C C 13 176.157 . . 1 . . . . . 93 GLN C . 50888 1 493 . 1 . 1 93 93 GLN CA C 13 56.150 . . 1 . . . . . 93 GLN CA . 50888 1 494 . 1 . 1 93 93 GLN N N 15 122.093 . . 1 . . . . . 93 GLN N . 50888 1 495 . 1 . 1 94 94 THR C C 13 175.817 . . 1 . . . . . 94 THR C . 50888 1 496 . 1 . 1 97 97 THR H H 1 8.041 . . 1 . . . . . 97 THR H . 50888 1 497 . 1 . 1 97 97 THR N N 15 113.411 . . 1 . . . . . 97 THR N . 50888 1 498 . 1 . 1 98 98 ASN C C 13 174.981 . . 1 . . . . . 98 ASN C . 50888 1 499 . 1 . 1 98 98 ASN CB C 13 38.742 . . 1 . . . . . 98 ASN CB . 50888 1 500 . 1 . 1 99 99 LEU H H 1 8.160 . . 1 . . . . . 99 LEU H . 50888 1 501 . 1 . 1 99 99 LEU C C 13 177.704 . . 1 . . . . . 99 LEU C . 50888 1 502 . 1 . 1 99 99 LEU CA C 13 55.185 . . 1 . . . . . 99 LEU CA . 50888 1 503 . 1 . 1 99 99 LEU CB C 13 42.735 . . 1 . . . . . 99 LEU CB . 50888 1 504 . 1 . 1 99 99 LEU CG C 13 27.364 . . 1 . . . . . 99 LEU CG . 50888 1 505 . 1 . 1 99 99 LEU CD1 C 13 23.720 . . 2 . . . . . 99 LEU CD1 . 50888 1 506 . 1 . 1 99 99 LEU CD2 C 13 25.549 . . 2 . . . . . 99 LEU CD2 . 50888 1 507 . 1 . 1 99 99 LEU N N 15 122.559 . . 1 . . . . . 99 LEU N . 50888 1 508 . 1 . 1 100 100 THR H H 1 8.373 . . 1 . . . . . 100 THR H . 50888 1 509 . 1 . 1 100 100 THR CB C 13 70.497 . . 1 . . . . . 100 THR CB . 50888 1 510 . 1 . 1 100 100 THR N N 15 113.673 . . 1 . . . . . 100 THR N . 50888 1 511 . 1 . 1 102 102 GLU H H 1 8.497 . . 1 . . . . . 102 GLU H . 50888 1 512 . 1 . 1 102 102 GLU C C 13 178.051 . . 1 . . . . . 102 GLU C . 50888 1 513 . 1 . 1 102 102 GLU CA C 13 58.767 . . 1 . . . . . 102 GLU CA . 50888 1 514 . 1 . 1 102 102 GLU CB C 13 29.863 . . 1 . . . . . 102 GLU CB . 50888 1 515 . 1 . 1 102 102 GLU N N 15 122.396 . . 1 . . . . . 102 GLU N . 50888 1 516 . 1 . 1 103 103 GLU H H 1 8.000 . . 1 . . . . . 103 GLU H . 50888 1 517 . 1 . 1 103 103 GLU C C 13 178.774 . . 1 . . . . . 103 GLU C . 50888 1 518 . 1 . 1 103 103 GLU CA C 13 58.683 . . 1 . . . . . 103 GLU CA . 50888 1 519 . 1 . 1 103 103 GLU CB C 13 29.912 . . 1 . . . . . 103 GLU CB . 50888 1 520 . 1 . 1 103 103 GLU CG C 13 36.866 . . 1 . . . . . 103 GLU CG . 50888 1 521 . 1 . 1 103 103 GLU N N 15 120.405 . . 1 . . . . . 103 GLU N . 50888 1 522 . 1 . 1 104 104 LEU H H 1 8.173 . . 1 . . . . . 104 LEU H . 50888 1 523 . 1 . 1 104 104 LEU CA C 13 57.262 . . 1 . . . . . 104 LEU CA . 50888 1 524 . 1 . 1 104 104 LEU CB C 13 41.832 . . 1 . . . . . 104 LEU CB . 50888 1 525 . 1 . 1 104 104 LEU CD1 C 13 24.073 . . 2 . . . . . 104 LEU CD1 . 50888 1 526 . 1 . 1 104 104 LEU N N 15 120.644 . . 1 . . . . . 104 LEU N . 50888 1 527 . 1 . 1 105 105 ARG H H 1 7.961 . . 1 . . . . . 105 ARG H . 50888 1 528 . 1 . 1 105 105 ARG C C 13 177.904 . . 1 . . . . . 105 ARG C . 50888 1 529 . 1 . 1 105 105 ARG CA C 13 58.568 . . 1 . . . . . 105 ARG CA . 50888 1 530 . 1 . 1 105 105 ARG CB C 13 30.198 . . 1 . . . . . 105 ARG CB . 50888 1 531 . 1 . 1 105 105 ARG CG C 13 27.649 . . 1 . . . . . 105 ARG CG . 50888 1 532 . 1 . 1 105 105 ARG CD C 13 43.591 . . 1 . . . . . 105 ARG CD . 50888 1 533 . 1 . 1 105 105 ARG N N 15 119.853 . . 1 . . . . . 105 ARG N . 50888 1 534 . 1 . 1 106 106 LYS H H 1 7.918 . . 1 . . . . . 106 LYS H . 50888 1 535 . 1 . 1 106 106 LYS CB C 13 32.586 . . 1 . . . . . 106 LYS CB . 50888 1 536 . 1 . 1 106 106 LYS CD C 13 29.435 . . 1 . . . . . 106 LYS CD . 50888 1 537 . 1 . 1 106 106 LYS CE C 13 42.063 . . 1 . . . . . 106 LYS CE . 50888 1 538 . 1 . 1 106 106 LYS N N 15 119.327 . . 1 . . . . . 106 LYS N . 50888 1 539 . 1 . 1 107 107 ARG H H 1 7.959 . . 1 . . . . . 107 ARG H . 50888 1 540 . 1 . 1 107 107 ARG C C 13 177.353 . . 1 . . . . . 107 ARG C . 50888 1 541 . 1 . 1 107 107 ARG CA C 13 57.743 . . 1 . . . . . 107 ARG CA . 50888 1 542 . 1 . 1 107 107 ARG CB C 13 30.360 . . 1 . . . . . 107 ARG CB . 50888 1 543 . 1 . 1 107 107 ARG CG C 13 27.254 . . 1 . . . . . 107 ARG CG . 50888 1 544 . 1 . 1 107 107 ARG N N 15 119.785 . . 1 . . . . . 107 ARG N . 50888 1 545 . 1 . 1 108 108 ARG H H 1 8.064 . . 1 . . . . . 108 ARG H . 50888 1 546 . 1 . 1 108 108 ARG C C 13 177.305 . . 1 . . . . . 108 ARG C . 50888 1 547 . 1 . 1 108 108 ARG CA C 13 57.450 . . 1 . . . . . 108 ARG CA . 50888 1 548 . 1 . 1 108 108 ARG CB C 13 30.410 . . 1 . . . . . 108 ARG CB . 50888 1 549 . 1 . 1 108 108 ARG CG C 13 27.708 . . 1 . . . . . 108 ARG CG . 50888 1 550 . 1 . 1 108 108 ARG CD C 13 43.742 . . 1 . . . . . 108 ARG CD . 50888 1 551 . 1 . 1 108 108 ARG N N 15 120.247 . . 1 . . . . . 108 ARG N . 50888 1 552 . 1 . 1 109 109 GLU H H 1 8.188 . . 1 . . . . . 109 GLU H . 50888 1 553 . 1 . 1 109 109 GLU C C 13 176.787 . . 1 . . . . . 109 GLU C . 50888 1 554 . 1 . 1 109 109 GLU CA C 13 57.378 . . 1 . . . . . 109 GLU CA . 50888 1 555 . 1 . 1 109 109 GLU CB C 13 29.967 . . 1 . . . . . 109 GLU CB . 50888 1 556 . 1 . 1 109 109 GLU N N 15 119.791 . . 1 . . . . . 109 GLU N . 50888 1 557 . 1 . 1 110 110 ALA H H 1 7.907 . . 1 . . . . . 110 ALA H . 50888 1 558 . 1 . 1 110 110 ALA C C 13 177.477 . . 1 . . . . . 110 ALA C . 50888 1 559 . 1 . 1 110 110 ALA CA C 13 52.855 . . 1 . . . . . 110 ALA CA . 50888 1 560 . 1 . 1 110 110 ALA CB C 13 19.033 . . 1 . . . . . 110 ALA CB . 50888 1 561 . 1 . 1 110 110 ALA N N 15 122.563 . . 1 . . . . . 110 ALA N . 50888 1 562 . 1 . 1 111 111 TYR H H 1 7.813 . . 1 . . . . . 111 TYR H . 50888 1 563 . 1 . 1 111 111 TYR C C 13 175.380 . . 1 . . . . . 111 TYR C . 50888 1 564 . 1 . 1 111 111 TYR CA C 13 58.255 . . 1 . . . . . 111 TYR CA . 50888 1 565 . 1 . 1 111 111 TYR CB C 13 38.749 . . 1 . . . . . 111 TYR CB . 50888 1 566 . 1 . 1 111 111 TYR N N 15 118.355 . . 1 . . . . . 111 TYR N . 50888 1 567 . 1 . 1 112 112 PHE H H 1 7.800 . . 1 . . . . . 112 PHE H . 50888 1 568 . 1 . 1 112 112 PHE C C 13 175.068 . . 1 . . . . . 112 PHE C . 50888 1 569 . 1 . 1 112 112 PHE CA C 13 57.471 . . 1 . . . . . 112 PHE CA . 50888 1 570 . 1 . 1 112 112 PHE CB C 13 39.830 . . 1 . . . . . 112 PHE CB . 50888 1 571 . 1 . 1 112 112 PHE N N 15 120.926 . . 1 . . . . . 112 PHE N . 50888 1 572 . 1 . 1 113 113 GLU H H 1 8.104 . . 1 . . . . . 113 GLU H . 50888 1 573 . 1 . 1 113 113 GLU C C 13 175.118 . . 1 . . . . . 113 GLU C . 50888 1 574 . 1 . 1 113 113 GLU CA C 13 56.536 . . 1 . . . . . 113 GLU CA . 50888 1 575 . 1 . 1 113 113 GLU CB C 13 30.506 . . 1 . . . . . 113 GLU CB . 50888 1 576 . 1 . 1 113 113 GLU CG C 13 36.462 . . 1 . . . . . 113 GLU CG . 50888 1 577 . 1 . 1 113 113 GLU N N 15 122.587 . . 1 . . . . . 113 GLU N . 50888 1 578 . 1 . 1 114 114 LYS H H 1 7.826 . . 1 . . . . . 114 LYS H . 50888 1 579 . 1 . 1 114 114 LYS CA C 13 57.753 . . 1 . . . . . 114 LYS CA . 50888 1 580 . 1 . 1 114 114 LYS CB C 13 33.729 . . 1 . . . . . 114 LYS CB . 50888 1 581 . 1 . 1 114 114 LYS N N 15 127.291 . . 1 . . . . . 114 LYS N . 50888 1 stop_ save_