data_26892 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26892 _Entry.Title ; In solution NMR characterization of an engineered membrane active peptide, A-Cage-C ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-09-12 _Entry.Accession_date 2016-09-12 _Entry.Last_release_date 2016-09-12 _Entry.Original_release_date 2016-09-12 _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 . _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 Olena Dobrovolska . . . . 26892 2 Oyvind Halskau . . . . 26892 3 Oyvind Stromland . . . . 26892 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26892 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 68 26892 '15N chemical shifts' 31 26892 '1H chemical shifts' 64 26892 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 . . 2021-07-26 . original BMRB . 26892 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26892 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34204651 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Investigating the Disordered and Membrane-Active Peptide A-Cage-C Using Conformational Ensembles ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Molecules _Citation.Journal_name_full 'Molecules (Basel, Switzerland)' _Citation.Journal_volume 26 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1420-3049 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 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 Olena Dobrovolska O. . . . 26892 1 2 Oyvind StrOmland O. . . . 26892 1 3 'Orjan Sele' Handegard O. S. . . 26892 1 4 Martin Jakubec M. . . . 26892 1 5 Morten Govasli M. L. . . 26892 1 6 'age Aleksander' Skjevik a. A. . . 26892 1 7 'Nils age' Froystein N. a. . . 26892 1 8 Knut Teigen K. . . . 26892 1 9 Oyvind Halskau O. . . . 26892 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26892 _Assembly.ID 1 _Assembly.Name 'A-Cage-C monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 A-Cage-C 1 $A-Cage-C A . yes 'intrinsically disordered' no no . . . 26892 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_A-Cage-C _Entity.Sf_category entity _Entity.Sf_framecode A-Cage-C _Entity.Entry_ID 26892 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name A-Cage-C _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 ; GSEQLTKAEVFRELKDLNLY IQWLKDGGPSSGRPPPSFLD DDLTDDIMAVKKILDKVG ; _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 58 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 . GLY . 26892 1 2 . SER . 26892 1 3 . GLU . 26892 1 4 . GLN . 26892 1 5 . LEU . 26892 1 6 . THR . 26892 1 7 . LYS . 26892 1 8 . ALA . 26892 1 9 . GLU . 26892 1 10 . VAL . 26892 1 11 . PHE . 26892 1 12 . ARG . 26892 1 13 . GLU . 26892 1 14 . LEU . 26892 1 15 . LYS . 26892 1 16 . ASP . 26892 1 17 . LEU . 26892 1 18 . ASN . 26892 1 19 . LEU . 26892 1 20 . TYR . 26892 1 21 . ILE . 26892 1 22 . GLN . 26892 1 23 . TRP . 26892 1 24 . LEU . 26892 1 25 . LYS . 26892 1 26 . ASP . 26892 1 27 . GLY . 26892 1 28 . GLY . 26892 1 29 . PRO . 26892 1 30 . SER . 26892 1 31 . SER . 26892 1 32 . GLY . 26892 1 33 . ARG . 26892 1 34 . PRO . 26892 1 35 . PRO . 26892 1 36 . PRO . 26892 1 37 . SER . 26892 1 38 . PHE . 26892 1 39 . LEU . 26892 1 40 . ASP . 26892 1 41 . ASP . 26892 1 42 . ASP . 26892 1 43 . LEU . 26892 1 44 . THR . 26892 1 45 . ASP . 26892 1 46 . ASP . 26892 1 47 . ILE . 26892 1 48 . MET . 26892 1 49 . ALA . 26892 1 50 . VAL . 26892 1 51 . LYS . 26892 1 52 . LYS . 26892 1 53 . ILE . 26892 1 54 . LEU . 26892 1 55 . ASP . 26892 1 56 . LYS . 26892 1 57 . VAL . 26892 1 58 . GLY . 26892 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 26892 1 . SER 2 2 26892 1 . GLU 3 3 26892 1 . GLN 4 4 26892 1 . LEU 5 5 26892 1 . THR 6 6 26892 1 . LYS 7 7 26892 1 . ALA 8 8 26892 1 . GLU 9 9 26892 1 . VAL 10 10 26892 1 . PHE 11 11 26892 1 . ARG 12 12 26892 1 . GLU 13 13 26892 1 . LEU 14 14 26892 1 . LYS 15 15 26892 1 . ASP 16 16 26892 1 . LEU 17 17 26892 1 . ASN 18 18 26892 1 . LEU 19 19 26892 1 . TYR 20 20 26892 1 . ILE 21 21 26892 1 . GLN 22 22 26892 1 . TRP 23 23 26892 1 . LEU 24 24 26892 1 . LYS 25 25 26892 1 . ASP 26 26 26892 1 . GLY 27 27 26892 1 . GLY 28 28 26892 1 . PRO 29 29 26892 1 . SER 30 30 26892 1 . SER 31 31 26892 1 . GLY 32 32 26892 1 . ARG 33 33 26892 1 . PRO 34 34 26892 1 . PRO 35 35 26892 1 . PRO 36 36 26892 1 . SER 37 37 26892 1 . PHE 38 38 26892 1 . LEU 39 39 26892 1 . ASP 40 40 26892 1 . ASP 41 41 26892 1 . ASP 42 42 26892 1 . LEU 43 43 26892 1 . THR 44 44 26892 1 . ASP 45 45 26892 1 . ASP 46 46 26892 1 . ILE 47 47 26892 1 . MET 48 48 26892 1 . ALA 49 49 26892 1 . VAL 50 50 26892 1 . LYS 51 51 26892 1 . LYS 52 52 26892 1 . ILE 53 53 26892 1 . LEU 54 54 26892 1 . ASP 55 55 26892 1 . LYS 56 56 26892 1 . VAL 57 57 26892 1 . GLY 58 58 26892 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26892 _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 $A-Cage-C . 9913 organism . 'Bos taurus' cow . . Eukaryota Metazoa Bos taurus . . . . . . . . . . . . 'multiple natural sources' 26892 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 26892 _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 $A-Cage-C . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pETDuet1ph . . . 26892 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26892 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'A-Cage-C peptide' '[U-99% 13C; U-99% 15N]' . . 1 $A-Cage-C . . 1.6 . . mM . . . . 26892 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 26892 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 26892 1 pH 4.5 . pH 26892 1 pressure 1 . atm 26892 1 temperature 298 . K 26892 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26892 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26892 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 26892 1 processing . 26892 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26892 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26892 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 26892 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 26892 _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 $spectrometer_1 . . . . . . . . . . . . . . . . . 26892 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26892 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26892 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26892 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26892 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26892 1 7 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26892 1 8 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26892 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26892 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 na nitrogen . . . . ppm 0 external indirect 0.2514 . . . . . 26892 1 H 1 na protons . . . . ppm 0 external direct 1.000000000 . . . . . 26892 1 N 15 na 'methyl carbon' . . . . ppm 0 external indirect 0.101 . . . . . 26892 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26892 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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' . . . 26892 1 2 '3D HNCA' . . . 26892 1 3 '3D HNCO' . . . 26892 1 4 '3D CBCA(CO)NH' . . . 26892 1 5 '3D HNCACB' . . . 26892 1 8 '3D HN(CO)CA' . . . 26892 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 SER H H 1 8.701 0.020 . 1 . . . . . 2 SER H . 26892 1 2 . 1 . 1 2 2 SER HA H 1 4.384 0.020 . 1 . . . . . 2 SER HA . 26892 1 3 . 1 . 1 2 2 SER C C 13 171.921 0.3 . 1 . . . . . 2 SER C . 26892 1 4 . 1 . 1 2 2 SER CA C 13 55.967 0.3 . 1 . . . . . 2 SER CA . 26892 1 5 . 1 . 1 2 2 SER CB C 13 60.869 0.3 . 1 . . . . . 2 SER CB . 26892 1 6 . 1 . 1 2 2 SER N N 15 116.060 0.3 . 1 . . . . . 2 SER N . 26892 1 7 . 1 . 1 3 3 GLU H H 1 8.718 0.020 . 1 . . . . . 3 GLU H . 26892 1 8 . 1 . 1 3 3 GLU HA H 1 4.229 0.020 . 1 . . . . . 3 GLU HA . 26892 1 9 . 1 . 1 3 3 GLU HB2 H 1 1.880 0.020 . 1 . . . . . 3 GLU HB2 . 26892 1 10 . 1 . 1 3 3 GLU HB3 H 1 1.880 0.020 . 1 . . . . . 3 GLU HB3 . 26892 1 11 . 1 . 1 3 3 GLU C C 13 173.690 0.3 . 1 . . . . . 3 GLU C . 26892 1 12 . 1 . 1 3 3 GLU CA C 13 54.345 0.3 . 1 . . . . . 3 GLU CA . 26892 1 13 . 1 . 1 3 3 GLU CB C 13 26.355 0.3 . 1 . . . . . 3 GLU CB . 26892 1 14 . 1 . 1 3 3 GLU N N 15 122.794 0.3 . 1 . . . . . 3 GLU N . 26892 1 15 . 1 . 1 4 4 GLN H H 1 8.273 0.020 . 1 . . . . . 4 GLN H . 26892 1 16 . 1 . 1 4 4 GLN HA H 1 4.210 0.020 . 1 . . . . . 4 GLN HA . 26892 1 17 . 1 . 1 4 4 GLN HB2 H 1 1.942 0.020 . 1 . . . . . 4 GLN HB2 . 26892 1 18 . 1 . 1 4 4 GLN HB3 H 1 1.942 0.020 . 1 . . . . . 4 GLN HB3 . 26892 1 19 . 1 . 1 4 4 GLN C C 13 173.506 0.3 . 1 . . . . . 4 GLN C . 26892 1 20 . 1 . 1 4 4 GLN CA C 13 53.411 0.3 . 1 . . . . . 4 GLN CA . 26892 1 21 . 1 . 1 4 4 GLN CB C 13 26.370 0.3 . 1 . . . . . 4 GLN CB . 26892 1 22 . 1 . 1 4 4 GLN N N 15 120.517 0.3 . 1 . . . . . 4 GLN N . 26892 1 23 . 1 . 1 5 5 LEU H H 1 8.088 0.020 . 1 . . . . . 5 LEU H . 26892 1 24 . 1 . 1 5 5 LEU CA C 13 52.720 0.3 . 1 . . . . . 5 LEU CA . 26892 1 25 . 1 . 1 5 5 LEU CB C 13 39.604 0.3 . 1 . . . . . 5 LEU CB . 26892 1 26 . 1 . 1 5 5 LEU N N 15 123.219 0.3 . 1 . . . . . 5 LEU N . 26892 1 27 . 1 . 1 6 6 THR H H 1 8.023 0.020 . 1 . . . . . 6 THR H . 26892 1 28 . 1 . 1 6 6 THR CA C 13 58.974 0.3 . 1 . . . . . 6 THR CA . 26892 1 29 . 1 . 1 6 6 THR CB C 13 67.028 0.3 . 1 . . . . . 6 THR CB . 26892 1 30 . 1 . 1 6 6 THR N N 15 114.998 0.3 . 1 . . . . . 6 THR N . 26892 1 31 . 1 . 1 7 7 LYS H H 1 8.204 0.020 . 1 . . . . . 7 LYS H . 26892 1 32 . 1 . 1 7 7 LYS CA C 13 53.344 0.3 . 1 . . . . . 7 LYS CA . 26892 1 33 . 1 . 1 7 7 LYS CB C 13 30.311 0.3 . 1 . . . . . 7 LYS CB . 26892 1 34 . 1 . 1 7 7 LYS N N 15 123.853 0.3 . 1 . . . . . 7 LYS N . 26892 1 35 . 1 . 1 8 8 ALA H H 1 8.191 0.020 . 1 . . . . . 8 ALA H . 26892 1 36 . 1 . 1 8 8 ALA CA C 13 49.544 0.3 . 1 . . . . . 8 ALA CA . 26892 1 37 . 1 . 1 8 8 ALA CB C 13 16.471 0.3 . 1 . . . . . 8 ALA CB . 26892 1 38 . 1 . 1 8 8 ALA N N 15 125.333 0.3 . 1 . . . . . 8 ALA N . 26892 1 39 . 1 . 1 9 9 GLU H H 1 8.192 0.020 . 1 . . . . . 9 GLU H . 26892 1 40 . 1 . 1 9 9 GLU CA C 13 53.049 0.3 . 1 . . . . . 9 GLU CA . 26892 1 41 . 1 . 1 9 9 GLU CB C 13 26.827 0.3 . 1 . . . . . 9 GLU CB . 26892 1 42 . 1 . 1 9 9 GLU N N 15 120.136 0.3 . 1 . . . . . 9 GLU N . 26892 1 43 . 1 . 1 10 10 VAL H H 1 7.917 0.020 . 1 . . . . . 10 VAL H . 26892 1 44 . 1 . 1 10 10 VAL CA C 13 59.321 0.3 . 1 . . . . . 10 VAL CA . 26892 1 45 . 1 . 1 10 10 VAL CB C 13 29.950 0.3 . 1 . . . . . 10 VAL CB . 26892 1 46 . 1 . 1 10 10 VAL N N 15 121.298 0.3 . 1 . . . . . 10 VAL N . 26892 1 47 . 1 . 1 11 11 PHE H H 1 7.776 0.020 . 1 . . . . . 11 PHE H . 26892 1 48 . 1 . 1 11 11 PHE CA C 13 56.007 0.3 . 1 . . . . . 11 PHE CA . 26892 1 49 . 1 . 1 11 11 PHE CB C 13 37.518 0.3 . 1 . . . . . 11 PHE CB . 26892 1 50 . 1 . 1 11 11 PHE N N 15 128.398 0.3 . 1 . . . . . 11 PHE N . 26892 1 51 . 1 . 1 26 26 ASP H H 1 7.733 0.020 . 1 . . . . . 26 ASP H . 26892 1 52 . 1 . 1 26 26 ASP CA C 13 51.685 0.3 . 1 . . . . . 26 ASP CA . 26892 1 53 . 1 . 1 26 26 ASP CB C 13 37.320 0.3 . 1 . . . . . 26 ASP CB . 26892 1 54 . 1 . 1 26 26 ASP N N 15 117.824 0.3 . 1 . . . . . 26 ASP N . 26892 1 55 . 1 . 1 27 27 GLY H H 1 7.450 0.020 . 1 . . . . . 27 GLY H . 26892 1 56 . 1 . 1 27 27 GLY HA2 H 1 2.407 0.020 . 2 . . . . . 27 GLY HA2 . 26892 1 57 . 1 . 1 27 27 GLY HA3 H 1 2.121 0.020 . 2 . . . . . 27 GLY HA3 . 26892 1 58 . 1 . 1 27 27 GLY CA C 13 41.320 0.3 . 1 . . . . . 27 GLY CA . 26892 1 59 . 1 . 1 27 27 GLY N N 15 105.576 0.3 . 1 . . . . . 27 GLY N . 26892 1 60 . 1 . 1 28 28 GLY H H 1 8.381 0.020 . 1 . . . . . 28 GLY H . 26892 1 61 . 1 . 1 28 28 GLY CA C 13 40.114 0.3 . 1 . . . . . 28 GLY CA . 26892 1 62 . 1 . 1 28 28 GLY N N 15 114.311 0.3 . 1 . . . . . 28 GLY N . 26892 1 63 . 1 . 1 30 30 SER H H 1 7.536 0.020 . 1 . . . . . 30 SER H . 26892 1 64 . 1 . 1 30 30 SER CA C 13 56.574 0.3 . 1 . . . . . 30 SER CA . 26892 1 65 . 1 . 1 30 30 SER CB C 13 60.351 0.3 . 1 . . . . . 30 SER CB . 26892 1 66 . 1 . 1 30 30 SER N N 15 112.551 0.3 . 1 . . . . . 30 SER N . 26892 1 67 . 1 . 1 31 31 SER H H 1 8.056 0.020 . 1 . . . . . 31 SER H . 26892 1 68 . 1 . 1 31 31 SER CA C 13 57.589 0.3 . 1 . . . . . 31 SER CA . 26892 1 69 . 1 . 1 31 31 SER CB C 13 62.136 0.3 . 1 . . . . . 31 SER CB . 26892 1 70 . 1 . 1 31 31 SER N N 15 117.024 0.3 . 1 . . . . . 31 SER N . 26892 1 71 . 1 . 1 32 32 GLY H H 1 7.841 0.020 . 1 . . . . . 32 GLY H . 26892 1 72 . 1 . 1 32 32 GLY HA2 H 1 2.423 0.020 . 2 . . . . . 32 GLY HA2 . 26892 1 73 . 1 . 1 32 32 GLY HA3 H 1 2.117 0.020 . 2 . . . . . 32 GLY HA3 . 26892 1 74 . 1 . 1 32 32 GLY C C 13 170.380 0.3 . 1 . . . . . 32 GLY C . 26892 1 75 . 1 . 1 32 32 GLY CA C 13 42.696 0.3 . 1 . . . . . 32 GLY CA . 26892 1 76 . 1 . 1 32 32 GLY N N 15 109.546 0.3 . 1 . . . . . 32 GLY N . 26892 1 77 . 1 . 1 33 33 ARG H H 1 8.071 0.020 . 1 . . . . . 33 ARG H . 26892 1 78 . 1 . 1 33 33 ARG C C 13 171.417 0.3 . 1 . . . . . 33 ARG C . 26892 1 79 . 1 . 1 33 33 ARG CA C 13 50.315 0.3 . 1 . . . . . 33 ARG CA . 26892 1 80 . 1 . 1 33 33 ARG CB C 13 28.003 0.3 . 1 . . . . . 33 ARG CB . 26892 1 81 . 1 . 1 33 33 ARG N N 15 119.471 0.3 . 1 . . . . . 33 ARG N . 26892 1 82 . 1 . 1 44 44 THR H H 1 8.488 0.020 . 1 . . . . . 44 THR H . 26892 1 83 . 1 . 1 44 44 THR CA C 13 59.233 0.3 . 1 . . . . . 44 THR CA . 26892 1 84 . 1 . 1 44 44 THR CB C 13 66.893 0.3 . 1 . . . . . 44 THR CB . 26892 1 85 . 1 . 1 44 44 THR N N 15 117.051 0.3 . 1 . . . . . 44 THR N . 26892 1 86 . 1 . 1 45 45 ASP H H 1 8.398 0.020 . 1 . . . . . 45 ASP H . 26892 1 87 . 1 . 1 45 45 ASP CA C 13 51.258 0.3 . 1 . . . . . 45 ASP CA . 26892 1 88 . 1 . 1 45 45 ASP CB C 13 37.470 0.3 . 1 . . . . . 45 ASP CB . 26892 1 89 . 1 . 1 45 45 ASP N N 15 122.522 0.3 . 1 . . . . . 45 ASP N . 26892 1 90 . 1 . 1 46 46 ASP H H 1 8.249 0.020 . 1 . . . . . 46 ASP H . 26892 1 91 . 1 . 1 46 46 ASP CA C 13 51.155 0.3 . 1 . . . . . 46 ASP CA . 26892 1 92 . 1 . 1 46 46 ASP CB C 13 37.686 0.3 . 1 . . . . . 46 ASP CB . 26892 1 93 . 1 . 1 46 46 ASP N N 15 120.448 0.3 . 1 . . . . . 46 ASP N . 26892 1 94 . 1 . 1 47 47 ILE H H 1 7.996 0.020 . 1 . . . . . 47 ILE H . 26892 1 95 . 1 . 1 47 47 ILE HA H 1 4.009 0.020 . 1 . . . . . 47 ILE HA . 26892 1 96 . 1 . 1 47 47 ILE HB H 1 2.279 0.020 . 1 . . . . . 47 ILE HB . 26892 1 97 . 1 . 1 47 47 ILE CA C 13 58.783 0.3 . 1 . . . . . 47 ILE CA . 26892 1 98 . 1 . 1 47 47 ILE CB C 13 35.437 0.3 . 1 . . . . . 47 ILE CB . 26892 1 99 . 1 . 1 47 47 ILE N N 15 121.072 0.3 . 1 . . . . . 47 ILE N . 26892 1 100 . 1 . 1 49 49 ALA H H 1 8.157 0.020 . 1 . . . . . 49 ALA H . 26892 1 101 . 1 . 1 49 49 ALA CA C 13 49.664 0.3 . 1 . . . . . 49 ALA CA . 26892 1 102 . 1 . 1 49 49 ALA CB C 13 16.255 0.3 . 1 . . . . . 49 ALA CB . 26892 1 103 . 1 . 1 49 49 ALA N N 15 125.782 0.3 . 1 . . . . . 49 ALA N . 26892 1 104 . 1 . 1 50 50 VAL H H 1 7.859 0.020 . 1 . . . . . 50 VAL H . 26892 1 105 . 1 . 1 50 50 VAL HA H 1 3.901 0.020 . 1 . . . . . 50 VAL HA . 26892 1 106 . 1 . 1 50 50 VAL C C 13 173.624 0.3 . 1 . . . . . 50 VAL C . 26892 1 107 . 1 . 1 50 50 VAL CA C 13 59.850 0.3 . 1 . . . . . 50 VAL CA . 26892 1 108 . 1 . 1 50 50 VAL CB C 13 29.699 0.3 . 1 . . . . . 50 VAL CB . 26892 1 109 . 1 . 1 50 50 VAL N N 15 118.904 0.3 . 1 . . . . . 50 VAL N . 26892 1 110 . 1 . 1 51 51 LYS H H 1 8.231 0.020 . 1 . . . . . 51 LYS H . 26892 1 111 . 1 . 1 51 51 LYS HA H 1 4.243 0.020 . 1 . . . . . 51 LYS HA . 26892 1 112 . 1 . 1 51 51 LYS CA C 13 53.509 0.3 . 1 . . . . . 51 LYS CA . 26892 1 113 . 1 . 1 51 51 LYS CB C 13 30.175 0.3 . 1 . . . . . 51 LYS CB . 26892 1 114 . 1 . 1 51 51 LYS N N 15 125.050 0.3 . 1 . . . . . 51 LYS N . 26892 1 115 . 1 . 1 52 52 LYS H H 1 8.320 0.020 . 1 . . . . . 52 LYS H . 26892 1 116 . 1 . 1 52 52 LYS HA H 1 4.220 0.020 . 1 . . . . . 52 LYS HA . 26892 1 117 . 1 . 1 52 52 LYS HB2 H 1 1.674 0.020 . 1 . . . . . 52 LYS HB2 . 26892 1 118 . 1 . 1 52 52 LYS HB3 H 1 1.674 0.020 . 1 . . . . . 52 LYS HB3 . 26892 1 119 . 1 . 1 52 52 LYS CA C 13 53.478 0.3 . 1 . . . . . 52 LYS CA . 26892 1 120 . 1 . 1 52 52 LYS CB C 13 30.355 0.3 . 1 . . . . . 52 LYS CB . 26892 1 121 . 1 . 1 52 52 LYS N N 15 124.277 0.3 . 1 . . . . . 52 LYS N . 26892 1 122 . 1 . 1 53 53 ILE H H 1 8.185 0.020 . 1 . . . . . 53 ILE H . 26892 1 123 . 1 . 1 53 53 ILE HA H 1 4.045 0.020 . 1 . . . . . 53 ILE HA . 26892 1 124 . 1 . 1 53 53 ILE HB H 1 1.762 0.020 . 1 . . . . . 53 ILE HB . 26892 1 125 . 1 . 1 53 53 ILE CA C 13 58.277 0.3 . 1 . . . . . 53 ILE CA . 26892 1 126 . 1 . 1 53 53 ILE CB C 13 35.630 0.3 . 1 . . . . . 53 ILE CB . 26892 1 127 . 1 . 1 53 53 ILE N N 15 123.535 0.3 . 1 . . . . . 53 ILE N . 26892 1 128 . 1 . 1 54 54 LEU H H 1 8.285 0.020 . 1 . . . . . 54 LEU H . 26892 1 129 . 1 . 1 54 54 LEU HA H 1 4.256 0.020 . 1 . . . . . 54 LEU HA . 26892 1 130 . 1 . 1 54 54 LEU HB2 H 1 1.486 0.020 . 1 . . . . . 54 LEU HB2 . 26892 1 131 . 1 . 1 54 54 LEU HB3 H 1 1.486 0.020 . 1 . . . . . 54 LEU HB3 . 26892 1 132 . 1 . 1 54 54 LEU C C 13 173.975 0.3 . 1 . . . . . 54 LEU C . 26892 1 133 . 1 . 1 54 54 LEU CA C 13 52.036 0.3 . 1 . . . . . 54 LEU CA . 26892 1 134 . 1 . 1 54 54 LEU CB C 13 39.535 0.3 . 1 . . . . . 54 LEU CB . 26892 1 135 . 1 . 1 54 54 LEU N N 15 126.673 0.3 . 1 . . . . . 54 LEU N . 26892 1 136 . 1 . 1 55 55 ASP H H 1 8.188 0.020 . 1 . . . . . 55 ASP H . 26892 1 137 . 1 . 1 55 55 ASP HA H 1 4.461 0.020 . 1 . . . . . 55 ASP HA . 26892 1 138 . 1 . 1 55 55 ASP HB2 H 1 2.573 0.020 . 1 . . . . . 55 ASP HB2 . 26892 1 139 . 1 . 1 55 55 ASP HB3 H 1 2.573 0.020 . 1 . . . . . 55 ASP HB3 . 26892 1 140 . 1 . 1 55 55 ASP C C 13 172.707 0.3 . 1 . . . . . 55 ASP C . 26892 1 141 . 1 . 1 55 55 ASP CA C 13 51.297 0.3 . 1 . . . . . 55 ASP CA . 26892 1 142 . 1 . 1 55 55 ASP CB C 13 37.840 0.3 . 1 . . . . . 55 ASP CB . 26892 1 143 . 1 . 1 55 55 ASP N N 15 121.168 0.3 . 1 . . . . . 55 ASP N . 26892 1 144 . 1 . 1 56 56 LYS H H 1 8.105 0.020 . 1 . . . . . 56 LYS H . 26892 1 145 . 1 . 1 56 56 LYS HA H 1 4.215 0.020 . 1 . . . . . 56 LYS HA . 26892 1 146 . 1 . 1 56 56 LYS HB2 H 1 2.565 0.020 . 1 . . . . . 56 LYS HB2 . 26892 1 147 . 1 . 1 56 56 LYS HB3 H 1 2.565 0.020 . 1 . . . . . 56 LYS HB3 . 26892 1 148 . 1 . 1 56 56 LYS C C 13 173.428 0.3 . 1 . . . . . 56 LYS C . 26892 1 149 . 1 . 1 56 56 LYS CA C 13 53.477 0.3 . 1 . . . . . 56 LYS CA . 26892 1 150 . 1 . 1 56 56 LYS CB C 13 30.310 0.3 . 1 . . . . . 56 LYS CB . 26892 1 151 . 1 . 1 56 56 LYS N N 15 121.444 0.3 . 1 . . . . . 56 LYS N . 26892 1 152 . 1 . 1 57 57 VAL H H 1 8.153 0.020 . 1 . . . . . 57 VAL H . 26892 1 153 . 1 . 1 57 57 VAL HA H 1 4.045 0.020 . 1 . . . . . 57 VAL HA . 26892 1 154 . 1 . 1 57 57 VAL HB H 1 1.983 0.020 . 1 . . . . . 57 VAL HB . 26892 1 155 . 1 . 1 57 57 VAL C C 13 173.038 0.3 . 1 . . . . . 57 VAL C . 26892 1 156 . 1 . 1 57 57 VAL CA C 13 59.420 0.3 . 1 . . . . . 57 VAL CA . 26892 1 157 . 1 . 1 57 57 VAL CB C 13 30.055 0.3 . 1 . . . . . 57 VAL CB . 26892 1 158 . 1 . 1 57 57 VAL N N 15 122.304 0.3 . 1 . . . . . 57 VAL N . 26892 1 159 . 1 . 1 58 58 GLY H H 1 8.056 0.020 . 1 . . . . . 58 GLY H . 26892 1 160 . 1 . 1 58 58 GLY HA2 H 1 3.694 0.020 . 2 . . . . . 58 GLY HA2 . 26892 1 161 . 1 . 1 58 58 GLY HA3 H 1 3.656 0.020 . 2 . . . . . 58 GLY HA3 . 26892 1 162 . 1 . 1 58 58 GLY CA C 13 43.039 0.3 . 1 . . . . . 58 GLY CA . 26892 1 163 . 1 . 1 58 58 GLY N N 15 118.634 0.3 . 1 . . . . . 58 GLY N . 26892 1 stop_ save_