data_51259 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51259 _Entry.Title ; Islet amyloid polypeptide (amylin) in solution pH 6.5 10degC ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-01-05 _Entry.Accession_date 2022-01-05 _Entry.Last_release_date 2022-01-05 _Entry.Original_release_date 2022-01-05 _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 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Islet amyloid polypeptide (amylin) in solution, 25mM MES, pH 6.5,10degC' _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 Ricarda Torner . . . 0000-0002-0775-2075 51259 2 Tatsiana Kupreichyk . . . 0000-0002-5151-6424 51259 3 Lothar Gremer . . . 0000-0001-7065-5027 51259 4 Elisa 'Colas Debled' . . . 0000-0002-8279-3053 51259 5 Dapna Fenel . . . 0000-0002-9193-9827 51259 6 Pierre Gans . . . 0000-0002-0697-6552 51259 7 Dieter Willbold . . . 0000-0002-0065-7366 51259 8 Guy Schoehn . . . 0000-0002-1459-3201 51259 9 Wolfgang Hoyer . . . 0000-0003-4301-5416 51259 10 Jerome Boisbouvier . . . 0000-0003-3278-3639 51259 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51259 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 103 51259 '15N chemical shifts' 34 51259 '1H chemical shifts' 34 51259 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-05-17 2022-01-05 update BMRB 'update entry citation, etc.' 51259 1 . . 2022-01-20 2022-01-05 original author 'original release' 51259 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51259 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35501361 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural basis for the inhibition of IAPP fibril formation by the co-chaperonin prefoldin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 13 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 2363 _Citation.Page_last 2363 _Citation.Year 2022 _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 Ricarda Torner R. . . . 51259 1 2 Tatsiana Kupreichyk T. . . . 51259 1 3 Lothar Gremer L. . . . 51259 1 4 'Elisa Colas' Debled E. C. . . 51259 1 5 Daphna Fenel D. . . . 51259 1 6 Sarah Schemmert S. . . . 51259 1 7 Pierre Gans P. . . . 51259 1 8 Dieter Willbold D. . . . 51259 1 9 Guy Schoehn G. . . . 51259 1 10 Wolfgang Hoyer W. . . . 51259 1 11 Jerome Boisbouvier J. . . . 51259 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51259 _Assembly.ID 1 _Assembly.Name 'human Islet amyloid polypeptide (hIAPP)' _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 3904 _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 hIAPP 1 $entity_1 . . yes native no no . . . 51259 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 2 2 SG . 1 . 1 CYS 7 7 SG . . . . . . . . . . . . 51259 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51259 _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 ; KCNTATCATQRLANFLVHSS NNFGAILSSTNVGSNTY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 37 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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_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 . LYS . 51259 1 2 . CYS . 51259 1 3 . ASN . 51259 1 4 . THR . 51259 1 5 . ALA . 51259 1 6 . THR . 51259 1 7 . CYS . 51259 1 8 . ALA . 51259 1 9 . THR . 51259 1 10 . GLN . 51259 1 11 . ARG . 51259 1 12 . LEU . 51259 1 13 . ALA . 51259 1 14 . ASN . 51259 1 15 . PHE . 51259 1 16 . LEU . 51259 1 17 . VAL . 51259 1 18 . HIS . 51259 1 19 . SER . 51259 1 20 . SER . 51259 1 21 . ASN . 51259 1 22 . ASN . 51259 1 23 . PHE . 51259 1 24 . GLY . 51259 1 25 . ALA . 51259 1 26 . ILE . 51259 1 27 . LEU . 51259 1 28 . SER . 51259 1 29 . SER . 51259 1 30 . THR . 51259 1 31 . ASN . 51259 1 32 . VAL . 51259 1 33 . GLY . 51259 1 34 . SER . 51259 1 35 . ASN . 51259 1 36 . THR . 51259 1 37 . TYR . 51259 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 . LYS 1 1 51259 1 . CYS 2 2 51259 1 . ASN 3 3 51259 1 . THR 4 4 51259 1 . ALA 5 5 51259 1 . THR 6 6 51259 1 . CYS 7 7 51259 1 . ALA 8 8 51259 1 . THR 9 9 51259 1 . GLN 10 10 51259 1 . ARG 11 11 51259 1 . LEU 12 12 51259 1 . ALA 13 13 51259 1 . ASN 14 14 51259 1 . PHE 15 15 51259 1 . LEU 16 16 51259 1 . VAL 17 17 51259 1 . HIS 18 18 51259 1 . SER 19 19 51259 1 . SER 20 20 51259 1 . ASN 21 21 51259 1 . ASN 22 22 51259 1 . PHE 23 23 51259 1 . GLY 24 24 51259 1 . ALA 25 25 51259 1 . ILE 26 26 51259 1 . LEU 27 27 51259 1 . SER 28 28 51259 1 . SER 29 29 51259 1 . THR 30 30 51259 1 . ASN 31 31 51259 1 . VAL 32 32 51259 1 . GLY 33 33 51259 1 . SER 34 34 51259 1 . ASN 35 35 51259 1 . THR 36 36 51259 1 . TYR 37 37 51259 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 51259 _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 . . . . . . . . . . . IAPP . 51259 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 51259 _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(DE3) . . plasmid . . pET302/NT-His . . . 51259 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51259 _Sample.ID 1 _Sample.Name HIAPP _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 'human Islet amyloid polypeptide (hIAPP)' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 80 . . uM . . . . 51259 1 2 MES/NaOH 'natural abundance' . . . . . . 25 . . mM . . . . 51259 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 51259 _Sample_condition_list.ID 1 _Sample_condition_list.Name '10C, pH 6.5' _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' 0.025 . M 51259 1 pH 6.5 . pH 51259 1 pressure 1 . atm 51259 1 temperature 283 . K 51259 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51259 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51259 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51259 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '600 MHz Bruker' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 51259 _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' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51259 1 2 '3D HNCO' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51259 1 3 '3D HNCA' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51259 1 4 '3D HN(CA)CO' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51259 1 5 '3D HN(CO)CACB' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51259 1 6 '3D HN(CA)CB' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51259 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-15N HSQC' HSQC.tar.gz . 'Time-domain (raw spectral data)' . . 51259 1 2 '3D HNCO' HNCO.tar.gz . 'Time-domain (raw spectral data)' . . 51259 1 3 '3D HNCA' HNCA.tar.gz . 'Time-domain (raw spectral data)' . . 51259 1 4 '3D HN(CA)CO' HNCACO.tar.gz . 'Time-domain (raw spectral data)' . . 51259 1 5 '3D HN(CO)CACB' HNCOCACB.tar.gz . 'Time-domain (raw spectral data)' . . 51259 1 6 '3D HN(CA)CB' HNcaCB.tar.gz . 'Time-domain (raw spectral data)' . . 51259 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 51259 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Chemical Shift reference water' _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 118.681 internal indirect . . . . . . 51259 1 H 1 water protons . . . . ppm 4.915 internal direct 1 . . . . . 51259 1 N 15 water protons . . . . ppm 175.848 external indirect . . . . . . 51259 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 51259 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name IAPP_assignment _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' . . . 51259 1 2 '3D HNCO' . . . 51259 1 3 '3D HNCA' . . . 51259 1 4 '3D HN(CA)CO' . . . 51259 1 5 '3D HN(CO)CACB' . . . 51259 1 6 '3D HN(CA)CB' . . . 51259 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 . . 51259 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 3 3 ASN C C 13 174.970 0.000 . 1 . . . . . 3 ASN C . 51259 1 2 . 1 . 1 3 3 ASN CA C 13 52.868 0.000 . 1 . . . . . 3 ASN CA . 51259 1 3 . 1 . 1 3 3 ASN CB C 13 39.402 0.000 . 1 . . . . . 3 ASN CB . 51259 1 4 . 1 . 1 4 4 THR H H 1 7.616 0.001 . 1 . . . . . 4 THR H . 51259 1 5 . 1 . 1 4 4 THR C C 13 174.773 0.003 . 1 . . . . . 4 THR C . 51259 1 6 . 1 . 1 4 4 THR CA C 13 61.093 0.000 . 1 . . . . . 4 THR CA . 51259 1 7 . 1 . 1 4 4 THR CB C 13 70.942 0.036 . 1 . . . . . 4 THR CB . 51259 1 8 . 1 . 1 4 4 THR N N 15 110.957 0.052 . 1 . . . . . 4 THR N . 51259 1 9 . 1 . 1 5 5 ALA H H 1 8.714 0.002 . 1 . . . . . 5 ALA H . 51259 1 10 . 1 . 1 5 5 ALA C C 13 179.546 0.004 . 1 . . . . . 5 ALA C . 51259 1 11 . 1 . 1 5 5 ALA CA C 13 54.742 0.013 . 1 . . . . . 5 ALA CA . 51259 1 12 . 1 . 1 5 5 ALA CB C 13 18.546 0.017 . 1 . . . . . 5 ALA CB . 51259 1 13 . 1 . 1 5 5 ALA N N 15 122.826 0.043 . 1 . . . . . 5 ALA N . 51259 1 14 . 1 . 1 6 6 THR H H 1 7.934 0.002 . 1 . . . . . 6 THR H . 51259 1 15 . 1 . 1 6 6 THR C C 13 175.208 0.002 . 1 . . . . . 6 THR C . 51259 1 16 . 1 . 1 6 6 THR CA C 13 62.802 0.007 . 1 . . . . . 6 THR CA . 51259 1 17 . 1 . 1 6 6 THR CB C 13 69.365 0.011 . 1 . . . . . 6 THR CB . 51259 1 18 . 1 . 1 6 6 THR N N 15 109.318 0.059 . 1 . . . . . 6 THR N . 51259 1 19 . 1 . 1 7 7 CYS H H 1 8.108 0.002 . 1 . . . . . 7 CYS H . 51259 1 20 . 1 . 1 7 7 CYS C C 13 174.984 0.005 . 1 . . . . . 7 CYS C . 51259 1 21 . 1 . 1 7 7 CYS CA C 13 56.288 0.001 . 1 . . . . . 7 CYS CA . 51259 1 22 . 1 . 1 7 7 CYS CB C 13 41.100 0.085 . 1 . . . . . 7 CYS CB . 51259 1 23 . 1 . 1 7 7 CYS N N 15 120.517 0.045 . 1 . . . . . 7 CYS N . 51259 1 24 . 1 . 1 8 8 ALA H H 1 8.201 0.001 . 1 . . . . . 8 ALA H . 51259 1 25 . 1 . 1 8 8 ALA C C 13 178.434 0.006 . 1 . . . . . 8 ALA C . 51259 1 26 . 1 . 1 8 8 ALA CA C 13 53.533 0.015 . 1 . . . . . 8 ALA CA . 51259 1 27 . 1 . 1 8 8 ALA CB C 13 18.829 0.004 . 1 . . . . . 8 ALA CB . 51259 1 28 . 1 . 1 8 8 ALA N N 15 124.517 0.042 . 1 . . . . . 8 ALA N . 51259 1 29 . 1 . 1 9 9 THR H H 1 8.132 0.002 . 1 . . . . . 9 THR H . 51259 1 30 . 1 . 1 9 9 THR C C 13 175.064 0.000 . 1 . . . . . 9 THR C . 51259 1 31 . 1 . 1 9 9 THR CA C 13 62.876 0.003 . 1 . . . . . 9 THR CA . 51259 1 32 . 1 . 1 9 9 THR CB C 13 69.457 0.007 . 1 . . . . . 9 THR CB . 51259 1 33 . 1 . 1 9 9 THR N N 15 113.557 0.052 . 1 . . . . . 9 THR N . 51259 1 34 . 1 . 1 10 10 GLN H H 1 8.251 0.002 . 1 . . . . . 10 GLN H . 51259 1 35 . 1 . 1 10 10 GLN C C 13 176.126 0.002 . 1 . . . . . 10 GLN C . 51259 1 36 . 1 . 1 10 10 GLN CA C 13 56.359 0.012 . 1 . . . . . 10 GLN CA . 51259 1 37 . 1 . 1 10 10 GLN CB C 13 29.132 0.070 . 1 . . . . . 10 GLN CB . 51259 1 38 . 1 . 1 10 10 GLN N N 15 122.737 0.052 . 1 . . . . . 10 GLN N . 51259 1 39 . 1 . 1 11 11 ARG H H 1 8.314 0.001 . 1 . . . . . 11 ARG H . 51259 1 40 . 1 . 1 11 11 ARG C C 13 176.570 0.010 . 1 . . . . . 11 ARG C . 51259 1 41 . 1 . 1 11 11 ARG CA C 13 56.590 0.046 . 1 . . . . . 11 ARG CA . 51259 1 42 . 1 . 1 11 11 ARG CB C 13 30.418 0.178 . 1 . . . . . 11 ARG CB . 51259 1 43 . 1 . 1 11 11 ARG N N 15 122.116 0.045 . 1 . . . . . 11 ARG N . 51259 1 44 . 1 . 1 12 12 LEU H H 1 8.198 0.001 . 1 . . . . . 12 LEU H . 51259 1 45 . 1 . 1 12 12 LEU C C 13 177.350 0.005 . 1 . . . . . 12 LEU C . 51259 1 46 . 1 . 1 12 12 LEU CA C 13 55.281 0.007 . 1 . . . . . 12 LEU CA . 51259 1 47 . 1 . 1 12 12 LEU CB C 13 42.240 0.048 . 1 . . . . . 12 LEU CB . 51259 1 48 . 1 . 1 12 12 LEU N N 15 123.013 0.051 . 1 . . . . . 12 LEU N . 51259 1 49 . 1 . 1 13 13 ALA H H 1 8.228 0.001 . 1 . . . . . 13 ALA H . 51259 1 50 . 1 . 1 13 13 ALA C C 13 177.614 0.001 . 1 . . . . . 13 ALA C . 51259 1 51 . 1 . 1 13 13 ALA CA C 13 52.885 0.017 . 1 . . . . . 13 ALA CA . 51259 1 52 . 1 . 1 13 13 ALA CB C 13 18.953 0.022 . 1 . . . . . 13 ALA CB . 51259 1 53 . 1 . 1 13 13 ALA N N 15 124.005 0.042 . 1 . . . . . 13 ALA N . 51259 1 54 . 1 . 1 14 14 ASN H H 1 8.247 0.001 . 1 . . . . . 14 ASN H . 51259 1 55 . 1 . 1 14 14 ASN C C 13 175.061 0.003 . 1 . . . . . 14 ASN C . 51259 1 56 . 1 . 1 14 14 ASN CA C 13 53.364 0.005 . 1 . . . . . 14 ASN CA . 51259 1 57 . 1 . 1 14 14 ASN CB C 13 38.534 0.006 . 1 . . . . . 14 ASN CB . 51259 1 58 . 1 . 1 14 14 ASN N N 15 116.955 0.048 . 1 . . . . . 14 ASN N . 51259 1 59 . 1 . 1 15 15 PHE H H 1 8.035 0.001 . 1 . . . . . 15 PHE H . 51259 1 60 . 1 . 1 15 15 PHE C C 13 175.558 0.012 . 1 . . . . . 15 PHE C . 51259 1 61 . 1 . 1 15 15 PHE CA C 13 58.087 0.004 . 1 . . . . . 15 PHE CA . 51259 1 62 . 1 . 1 15 15 PHE CB C 13 39.207 0.138 . 1 . . . . . 15 PHE CB . 51259 1 63 . 1 . 1 15 15 PHE N N 15 120.120 0.044 . 1 . . . . . 15 PHE N . 51259 1 64 . 1 . 1 16 16 LEU H H 1 8.076 0.001 . 1 . . . . . 16 LEU H . 51259 1 65 . 1 . 1 16 16 LEU C C 13 176.982 0.004 . 1 . . . . . 16 LEU C . 51259 1 66 . 1 . 1 16 16 LEU CA C 13 55.127 0.003 . 1 . . . . . 16 LEU CA . 51259 1 67 . 1 . 1 16 16 LEU CB C 13 42.229 0.063 . 1 . . . . . 16 LEU CB . 51259 1 68 . 1 . 1 16 16 LEU N N 15 123.080 0.065 . 1 . . . . . 16 LEU N . 51259 1 69 . 1 . 1 17 17 VAL H H 1 7.984 0.001 . 1 . . . . . 17 VAL H . 51259 1 70 . 1 . 1 17 17 VAL C C 13 175.944 0.008 . 1 . . . . . 17 VAL C . 51259 1 71 . 1 . 1 17 17 VAL CA C 13 62.518 0.015 . 1 . . . . . 17 VAL CA . 51259 1 72 . 1 . 1 17 17 VAL CB C 13 32.637 0.003 . 1 . . . . . 17 VAL CB . 51259 1 73 . 1 . 1 17 17 VAL N N 15 121.073 0.044 . 1 . . . . . 17 VAL N . 51259 1 74 . 1 . 1 18 18 HIS H H 1 8.418 0.001 . 1 . . . . . 18 HIS H . 51259 1 75 . 1 . 1 18 18 HIS C C 13 175.218 0.000 . 1 . . . . . 18 HIS C . 51259 1 76 . 1 . 1 18 18 HIS CA C 13 56.089 0.019 . 1 . . . . . 18 HIS CA . 51259 1 77 . 1 . 1 18 18 HIS CB C 13 30.641 0.156 . 1 . . . . . 18 HIS CB . 51259 1 78 . 1 . 1 18 18 HIS N N 15 123.237 0.046 . 1 . . . . . 18 HIS N . 51259 1 79 . 1 . 1 19 19 SER H H 1 8.301 0.005 . 1 . . . . . 19 SER H . 51259 1 80 . 1 . 1 19 19 SER C C 13 174.567 0.002 . 1 . . . . . 19 SER C . 51259 1 81 . 1 . 1 19 19 SER CA C 13 58.290 0.004 . 1 . . . . . 19 SER CA . 51259 1 82 . 1 . 1 19 19 SER CB C 13 63.819 0.027 . 1 . . . . . 19 SER CB . 51259 1 83 . 1 . 1 19 19 SER N N 15 117.518 0.087 . 1 . . . . . 19 SER N . 51259 1 84 . 1 . 1 20 20 SER H H 1 8.498 0.001 . 1 . . . . . 20 SER H . 51259 1 85 . 1 . 1 20 20 SER C C 13 174.209 0.018 . 1 . . . . . 20 SER C . 51259 1 86 . 1 . 1 20 20 SER CA C 13 58.492 0.015 . 1 . . . . . 20 SER CA . 51259 1 87 . 1 . 1 20 20 SER CB C 13 63.729 0.001 . 1 . . . . . 20 SER CB . 51259 1 88 . 1 . 1 20 20 SER N N 15 117.904 0.039 . 1 . . . . . 20 SER N . 51259 1 89 . 1 . 1 21 21 ASN H H 1 8.391 0.017 . 1 . . . . . 21 ASN H . 51259 1 90 . 1 . 1 21 21 ASN C C 13 174.761 0.002 . 1 . . . . . 21 ASN C . 51259 1 91 . 1 . 1 21 21 ASN CA C 13 53.128 0.023 . 1 . . . . . 21 ASN CA . 51259 1 92 . 1 . 1 21 21 ASN CB C 13 38.644 0.033 . 1 . . . . . 21 ASN CB . 51259 1 93 . 1 . 1 21 21 ASN N N 15 120.188 0.140 . 1 . . . . . 21 ASN N . 51259 1 94 . 1 . 1 22 22 ASN H H 1 8.287 0.002 . 1 . . . . . 22 ASN H . 51259 1 95 . 1 . 1 22 22 ASN C C 13 175.053 0.001 . 1 . . . . . 22 ASN C . 51259 1 96 . 1 . 1 22 22 ASN CA C 13 53.097 0.028 . 1 . . . . . 22 ASN CA . 51259 1 97 . 1 . 1 22 22 ASN CB C 13 38.529 0.034 . 1 . . . . . 22 ASN CB . 51259 1 98 . 1 . 1 22 22 ASN N N 15 118.781 0.047 . 1 . . . . . 22 ASN N . 51259 1 99 . 1 . 1 23 23 PHE H H 1 8.253 0.001 . 1 . . . . . 23 PHE H . 51259 1 100 . 1 . 1 23 23 PHE C C 13 176.368 0.001 . 1 . . . . . 23 PHE C . 51259 1 101 . 1 . 1 23 23 PHE CA C 13 58.252 0.002 . 1 . . . . . 23 PHE CA . 51259 1 102 . 1 . 1 23 23 PHE CB C 13 38.856 0.106 . 1 . . . . . 23 PHE CB . 51259 1 103 . 1 . 1 23 23 PHE N N 15 120.466 0.049 . 1 . . . . . 23 PHE N . 51259 1 104 . 1 . 1 24 24 GLY H H 1 8.324 0.002 . 1 . . . . . 24 GLY H . 51259 1 105 . 1 . 1 24 24 GLY C C 13 173.713 0.002 . 1 . . . . . 24 GLY C . 51259 1 106 . 1 . 1 24 24 GLY CA C 13 45.202 0.019 . 1 . . . . . 24 GLY CA . 51259 1 107 . 1 . 1 24 24 GLY N N 15 110.271 0.054 . 1 . . . . . 24 GLY N . 51259 1 108 . 1 . 1 25 25 ALA H H 1 8.001 0.001 . 1 . . . . . 25 ALA H . 51259 1 109 . 1 . 1 25 25 ALA C C 13 177.646 0.002 . 1 . . . . . 25 ALA C . 51259 1 110 . 1 . 1 25 25 ALA CA C 13 52.434 0.006 . 1 . . . . . 25 ALA CA . 51259 1 111 . 1 . 1 25 25 ALA CB C 13 19.181 0.043 . 1 . . . . . 25 ALA CB . 51259 1 112 . 1 . 1 25 25 ALA N N 15 123.644 0.041 . 1 . . . . . 25 ALA N . 51259 1 113 . 1 . 1 26 26 ILE H H 1 8.202 0.002 . 1 . . . . . 26 ILE H . 51259 1 114 . 1 . 1 26 26 ILE C C 13 176.433 0.007 . 1 . . . . . 26 ILE C . 51259 1 115 . 1 . 1 26 26 ILE CA C 13 61.068 0.004 . 1 . . . . . 26 ILE CA . 51259 1 116 . 1 . 1 26 26 ILE CB C 13 38.481 0.066 . 1 . . . . . 26 ILE CB . 51259 1 117 . 1 . 1 26 26 ILE N N 15 120.684 0.050 . 1 . . . . . 26 ILE N . 51259 1 118 . 1 . 1 27 27 LEU H H 1 8.432 0.001 . 1 . . . . . 27 LEU H . 51259 1 119 . 1 . 1 27 27 LEU C C 13 177.282 0.008 . 1 . . . . . 27 LEU C . 51259 1 120 . 1 . 1 27 27 LEU CA C 13 54.990 0.002 . 1 . . . . . 27 LEU CA . 51259 1 121 . 1 . 1 27 27 LEU CB C 13 42.209 0.050 . 1 . . . . . 27 LEU CB . 51259 1 122 . 1 . 1 27 27 LEU N N 15 127.079 0.042 . 1 . . . . . 27 LEU N . 51259 1 123 . 1 . 1 28 28 SER H H 1 8.382 0.001 . 1 . . . . . 28 SER H . 51259 1 124 . 1 . 1 28 28 SER C C 13 174.643 0.003 . 1 . . . . . 28 SER C . 51259 1 125 . 1 . 1 28 28 SER CA C 13 58.204 0.006 . 1 . . . . . 28 SER CA . 51259 1 126 . 1 . 1 28 28 SER CB C 13 63.785 0.008 . 1 . . . . . 28 SER CB . 51259 1 127 . 1 . 1 28 28 SER N N 15 116.977 0.055 . 1 . . . . . 28 SER N . 51259 1 128 . 1 . 1 29 29 SER H H 1 8.443 0.001 . 1 . . . . . 29 SER H . 51259 1 129 . 1 . 1 29 29 SER C C 13 174.727 0.025 . 1 . . . . . 29 SER C . 51259 1 130 . 1 . 1 29 29 SER CA C 13 58.404 0.008 . 1 . . . . . 29 SER CA . 51259 1 131 . 1 . 1 29 29 SER CB C 13 63.728 0.014 . 1 . . . . . 29 SER CB . 51259 1 132 . 1 . 1 29 29 SER N N 15 117.909 0.041 . 1 . . . . . 29 SER N . 51259 1 133 . 1 . 1 30 30 THR H H 1 8.183 0.001 . 1 . . . . . 30 THR H . 51259 1 134 . 1 . 1 30 30 THR C C 13 174.201 0.002 . 1 . . . . . 30 THR C . 51259 1 135 . 1 . 1 30 30 THR CA C 13 61.886 0.011 . 1 . . . . . 30 THR CA . 51259 1 136 . 1 . 1 30 30 THR CB C 13 69.615 0.036 . 1 . . . . . 30 THR CB . 51259 1 137 . 1 . 1 30 30 THR N N 15 115.207 0.051 . 1 . . . . . 30 THR N . 51259 1 138 . 1 . 1 31 31 ASN H H 1 8.430 0.001 . 1 . . . . . 31 ASN H . 51259 1 139 . 1 . 1 31 31 ASN C C 13 175.152 0.004 . 1 . . . . . 31 ASN C . 51259 1 140 . 1 . 1 31 31 ASN CA C 13 53.213 0.002 . 1 . . . . . 31 ASN CA . 51259 1 141 . 1 . 1 31 31 ASN CB C 13 38.708 0.001 . 1 . . . . . 31 ASN CB . 51259 1 142 . 1 . 1 31 31 ASN N N 15 121.483 0.046 . 1 . . . . . 31 ASN N . 51259 1 143 . 1 . 1 32 32 VAL H H 1 8.202 0.002 . 1 . . . . . 32 VAL H . 51259 1 144 . 1 . 1 32 32 VAL C C 13 176.726 0.005 . 1 . . . . . 32 VAL C . 51259 1 145 . 1 . 1 32 32 VAL CA C 13 62.629 0.008 . 1 . . . . . 32 VAL CA . 51259 1 146 . 1 . 1 32 32 VAL CB C 13 32.437 0.043 . 1 . . . . . 32 VAL CB . 51259 1 147 . 1 . 1 32 32 VAL N N 15 120.681 0.064 . 1 . . . . . 32 VAL N . 51259 1 148 . 1 . 1 33 33 GLY H H 1 8.549 0.002 . 1 . . . . . 33 GLY H . 51259 1 149 . 1 . 1 33 33 GLY C C 13 174.119 0.003 . 1 . . . . . 33 GLY C . 51259 1 150 . 1 . 1 33 33 GLY CA C 13 45.191 0.018 . 1 . . . . . 33 GLY CA . 51259 1 151 . 1 . 1 33 33 GLY N N 15 112.576 0.053 . 1 . . . . . 33 GLY N . 51259 1 152 . 1 . 1 34 34 SER H H 1 8.243 0.001 . 1 . . . . . 34 SER H . 51259 1 153 . 1 . 1 34 34 SER C C 13 174.243 0.031 . 1 . . . . . 34 SER C . 51259 1 154 . 1 . 1 34 34 SER CA C 13 58.205 0.004 . 1 . . . . . 34 SER CA . 51259 1 155 . 1 . 1 34 34 SER CB C 13 63.794 0.005 . 1 . . . . . 34 SER CB . 51259 1 156 . 1 . 1 34 34 SER N N 15 115.543 0.054 . 1 . . . . . 34 SER N . 51259 1 157 . 1 . 1 35 35 ASN H H 1 8.544 0.001 . 1 . . . . . 35 ASN H . 51259 1 158 . 1 . 1 35 35 ASN C C 13 174.995 0.005 . 1 . . . . . 35 ASN C . 51259 1 159 . 1 . 1 35 35 ASN CA C 13 53.246 0.014 . 1 . . . . . 35 ASN CA . 51259 1 160 . 1 . 1 35 35 ASN CB C 13 38.795 0.026 . 1 . . . . . 35 ASN CB . 51259 1 161 . 1 . 1 35 35 ASN N N 15 120.716 0.046 . 1 . . . . . 35 ASN N . 51259 1 162 . 1 . 1 36 36 THR H H 1 8.060 0.001 . 1 . . . . . 36 THR H . 51259 1 163 . 1 . 1 36 36 THR C C 13 173.166 0.002 . 1 . . . . . 36 THR C . 51259 1 164 . 1 . 1 36 36 THR CA C 13 61.632 0.014 . 1 . . . . . 36 THR CA . 51259 1 165 . 1 . 1 36 36 THR CB C 13 69.877 0.077 . 1 . . . . . 36 THR CB . 51259 1 166 . 1 . 1 36 36 THR N N 15 114.035 0.040 . 1 . . . . . 36 THR N . 51259 1 167 . 1 . 1 37 37 TYR H H 1 7.777 0.001 . 1 . . . . . 37 TYR H . 51259 1 168 . 1 . 1 37 37 TYR C C 13 180.329 0.000 . 1 . . . . . 37 TYR C . 51259 1 169 . 1 . 1 37 37 TYR CA C 13 59.048 0.000 . 1 . . . . . 37 TYR CA . 51259 1 170 . 1 . 1 37 37 TYR CB C 13 39.339 0.000 . 1 . . . . . 37 TYR CB . 51259 1 171 . 1 . 1 37 37 TYR N N 15 127.036 0.043 . 1 . . . . . 37 TYR N . 51259 1 stop_ save_