data_26692 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26692 _Entry.Title ; Solid State NMR sequential assignment of Amyloid b(1-42) fibrils ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-10-23 _Entry.Accession_date 2015-10-23 _Entry.Last_release_date 2016-05-24 _Entry.Original_release_date 2016-05-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLID-STATE _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 Francesco Ravotti . . . . 26692 2 Marielle Waelti . A. . . 26692 3 Peter Guentert . . . . 26692 4 Beat Meier . H. . . 26692 5 Roland Riek . . . . 26692 6 Anja Boeckmann . . . . 26692 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26692 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 169 26692 '15N chemical shifts' 44 26692 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 . . 2016-12-12 2015-10-23 update BMRB 'update entry citation' 26692 1 . . 2016-05-24 2015-10-23 original author 'original release' 26692 stop_ save_ ############### # Citations # ############### save_Assignment_Abeta42 _Citation.Sf_category citations _Citation.Sf_framecode Assignment_Abeta42 _Citation.Entry_ID 26692 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27165577 _Citation.Full_citation . _Citation.Title ; Solid-State NMR sequential assignment of Amyloid-b (1-42) fibrils ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 269 _Citation.Page_last 276 _Citation.Year 2016 _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 Francesco Ravotti . . . . 26692 1 2 Marielle Waelti . A. . . 26692 1 3 Peter Guentert . . . . 26692 1 4 Beat Meier . H. . . 26692 1 5 Roland Riek . . . . 26692 1 6 Anja Boeckmann . . . . 26692 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26692 _Assembly.ID 1 _Assembly.Name 'Amyloid Beta fibril' _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 'Amyloid Beta fibril' 1 $Amyloid_Beta A . yes native no no . . . 26692 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Amyloid_Beta _Entity.Sf_category entity _Entity.Sf_framecode Amyloid_Beta _Entity.Entry_ID 26692 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Amyloid_Beta _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 ; DAEFRHDSGYEVHHQKLVFF AEDVGSNKGAIIGLMVGGVV IA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 42 _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 . ASP . 26692 1 2 . ALA . 26692 1 3 . GLU . 26692 1 4 . PHE . 26692 1 5 . ARG . 26692 1 6 . HIS . 26692 1 7 . ASP . 26692 1 8 . SER . 26692 1 9 . GLY . 26692 1 10 . TYR . 26692 1 11 . GLU . 26692 1 12 . VAL . 26692 1 13 . HIS . 26692 1 14 . HIS . 26692 1 15 . GLN . 26692 1 16 . LYS . 26692 1 17 . LEU . 26692 1 18 . VAL . 26692 1 19 . PHE . 26692 1 20 . PHE . 26692 1 21 . ALA . 26692 1 22 . GLU . 26692 1 23 . ASP . 26692 1 24 . VAL . 26692 1 25 . GLY . 26692 1 26 . SER . 26692 1 27 . ASN . 26692 1 28 . LYS . 26692 1 29 . GLY . 26692 1 30 . ALA . 26692 1 31 . ILE . 26692 1 32 . ILE . 26692 1 33 . GLY . 26692 1 34 . LEU . 26692 1 35 . MET . 26692 1 36 . VAL . 26692 1 37 . GLY . 26692 1 38 . GLY . 26692 1 39 . VAL . 26692 1 40 . VAL . 26692 1 41 . ILE . 26692 1 42 . ALA . 26692 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 . ASP 1 1 26692 1 . ALA 2 2 26692 1 . GLU 3 3 26692 1 . PHE 4 4 26692 1 . ARG 5 5 26692 1 . HIS 6 6 26692 1 . ASP 7 7 26692 1 . SER 8 8 26692 1 . GLY 9 9 26692 1 . TYR 10 10 26692 1 . GLU 11 11 26692 1 . VAL 12 12 26692 1 . HIS 13 13 26692 1 . HIS 14 14 26692 1 . GLN 15 15 26692 1 . LYS 16 16 26692 1 . LEU 17 17 26692 1 . VAL 18 18 26692 1 . PHE 19 19 26692 1 . PHE 20 20 26692 1 . ALA 21 21 26692 1 . GLU 22 22 26692 1 . ASP 23 23 26692 1 . VAL 24 24 26692 1 . GLY 25 25 26692 1 . SER 26 26 26692 1 . ASN 27 27 26692 1 . LYS 28 28 26692 1 . GLY 29 29 26692 1 . ALA 30 30 26692 1 . ILE 31 31 26692 1 . ILE 32 32 26692 1 . GLY 33 33 26692 1 . LEU 34 34 26692 1 . MET 35 35 26692 1 . VAL 36 36 26692 1 . GLY 37 37 26692 1 . GLY 38 38 26692 1 . VAL 39 39 26692 1 . VAL 40 40 26692 1 . ILE 41 41 26692 1 . ALA 42 42 26692 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 26692 _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 $Amyloid_Beta . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26692 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 26692 _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 $Amyloid_Beta . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . BL21(DE3) . . . 26692 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26692 _Sample.ID 1 _Sample.Type solid _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system 'Sodium phosphate' _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 'Amyloid Beta' [U-13C] . . 1 $Amyloid_Beta . . 20 . . mg . . . . 26692 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 26692 _Sample_condition_list.ID 1 _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 26692 1 pressure 1 . atm 26692 1 temperature 273 . K 26692 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26692 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26692 1 CCPN . . 26692 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26692 1 'data analysis' 26692 1 processing 26692 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 26692 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 26692 _NMR_spectrometer_list.ID 1 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 . 850 . . . 26692 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 26692 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 NCACX no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26692 1 2 NCOCX no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26692 1 3 CANCO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26692 1 4 NCACB no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26692 1 5 CCC no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26692 1 6 NCA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26692 1 7 NCO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26692 1 8 DARR no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26692 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 26692 _Chem_shift_reference.ID 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 . . . . . 26692 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26692 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 26692 _Assigned_chem_shift_list.ID 1 _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 NCACX . . . 26692 1 2 NCOCX . . . 26692 1 3 CANCO . . . 26692 1 4 NCACB . . . 26692 1 5 CCC . . . 26692 1 6 NCA . . . 26692 1 7 NCO . . . 26692 1 8 DARR . . . 26692 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 ASP C C 13 171.969 0 . . . . . . 1 D C . 26692 1 2 . 1 1 1 1 ASP CA C 13 54.149 0 . . . . . . 1 D CA . 26692 1 3 . 1 1 1 1 ASP CB C 13 41.536 0 . . . . . . 1 D CB . 26692 1 4 . 1 1 1 1 ASP CG C 13 178.933 0 . . . . . . 1 D CG . 26692 1 5 . 1 1 1 1 ASP N N 15 34.762 0 . . . . . . 1 D N . 26692 1 6 . 1 1 2 2 ALA C C 13 175.046 0 . . . . . . 2 A C . 26692 1 7 . 1 1 2 2 ALA CA C 13 50.581 0 . . . . . . 2 A CA . 26692 1 8 . 1 1 2 2 ALA CB C 13 23.852 0 . . . . . . 2 A CB . 26692 1 9 . 1 1 2 2 ALA N N 15 117.008 0 . . . . . . 2 A N . 26692 1 10 . 1 1 3 3 GLU C C 13 173.486 0 . . . . . . 3 E C . 26692 1 11 . 1 1 3 3 GLU CA C 13 54.606 0 . . . . . . 3 E CA . 26692 1 12 . 1 1 3 3 GLU CB C 13 33.393 0 . . . . . . 3 E CB . 26692 1 13 . 1 1 3 3 GLU CG C 13 35.858 0 . . . . . . 3 E CG . 26692 1 14 . 1 1 3 3 GLU CD C 13 182.943 0 . . . . . . 3 E CD . 26692 1 15 . 1 1 3 3 GLU N N 15 117.322 0 . . . . . . 3 E N . 26692 1 16 . 1 1 4 4 PHE C C 13 175.326 0 . . . . . . 4 F C . 26692 1 17 . 1 1 4 4 PHE CA C 13 56.893 0 . . . . . . 4 F CA . 26692 1 18 . 1 1 4 4 PHE CB C 13 41.651 0 . . . . . . 4 F CB . 26692 1 19 . 1 1 4 4 PHE CG C 13 139.528 0 . . . . . . 4 F CG . 26692 1 20 . 1 1 4 4 PHE CD2 C 13 132.799 0 . . . . . . 4 F CD2 . 26692 1 21 . 1 1 4 4 PHE CE1 C 13 130.730 0 . . . . . . 4 F CE1 . 26692 1 22 . 1 1 4 4 PHE CZ C 13 127.582 0 . . . . . . 4 F CZ . 26692 1 23 . 1 1 4 4 PHE N N 15 120.325 0 . . . . . . 4 F N . 26692 1 24 . 1 1 5 5 ARG C C 13 174.579 0 . . . . . . 5 R C . 26692 1 25 . 1 1 5 5 ARG CA C 13 55.258 0 . . . . . . 5 R CA . 26692 1 26 . 1 1 5 5 ARG CB C 13 33.138 0 . . . . . . 5 R CB . 26692 1 27 . 1 1 5 5 ARG CG C 13 27.407 0 . . . . . . 5 R CG . 26692 1 28 . 1 1 5 5 ARG CD C 13 44.047 0 . . . . . . 5 R CD . 26692 1 29 . 1 1 5 5 ARG CZ C 13 159.733 0 . . . . . . 5 R CZ . 26692 1 30 . 1 1 5 5 ARG N N 15 122.818 0 . . . . . . 5 R N . 26692 1 31 . 1 1 5 5 ARG NE N 15 82.640 0 . . . . . . 5 R NE . 26692 1 32 . 1 1 5 5 ARG NH1 N 15 68.266 0 . . . . . . 5 R NH1 . 26692 1 33 . 1 1 5 5 ARG NH2 N 15 69.761 0 . . . . . . 5 R NH2 . 26692 1 34 . 1 1 6 6 HIS C C 13 174.570 0 . . . . . . 6 H C . 26692 1 35 . 1 1 6 6 HIS CA C 13 50.969 0 . . . . . . 6 H CA . 26692 1 36 . 1 1 6 6 HIS CB C 13 30.406 0 . . . . . . 6 H CB . 26692 1 37 . 1 1 6 6 HIS CG C 13 134.363 0 . . . . . . 6 H CG . 26692 1 38 . 1 1 6 6 HIS CD2 C 13 116.746 0 . . . . . . 6 H CD2 . 26692 1 39 . 1 1 6 6 HIS N N 15 127.002 0 . . . . . . 6 H N . 26692 1 40 . 1 1 7 7 ASP C C 13 177.234 0 . . . . . . 7 D C . 26692 1 41 . 1 1 7 7 ASP CA C 13 58.871 0 . . . . . . 7 D CA . 26692 1 42 . 1 1 7 7 ASP CB C 13 39.091 0 . . . . . . 7 D CB . 26692 1 43 . 1 1 7 7 ASP CG C 13 179.954 0 . . . . . . 7 D CG . 26692 1 44 . 1 1 7 7 ASP N N 15 125.762 0 . . . . . . 7 D N . 26692 1 45 . 1 1 8 8 SER C C 13 173.378 0 . . . . . . 8 S C . 26692 1 46 . 1 1 8 8 SER CA C 13 56.650 0 . . . . . . 8 S CA . 26692 1 47 . 1 1 8 8 SER CB C 13 64.437 0 . . . . . . 8 S CB . 26692 1 48 . 1 1 8 8 SER N N 15 109.025 0 . . . . . . 8 S N . 26692 1 49 . 1 1 9 9 GLY C C 13 173.451 0 . . . . . . 9 G C . 26692 1 50 . 1 1 9 9 GLY CA C 13 43.282 0 . . . . . . 9 G CA . 26692 1 51 . 1 1 9 9 GLY N N 15 112.343 0 . . . . . . 9 G N . 26692 1 52 . 1 1 10 10 TYR C C 13 174.650 0 . . . . . . 10 Y C . 26692 1 53 . 1 1 10 10 TYR CA C 13 57.141 0 . . . . . . 10 Y CA . 26692 1 54 . 1 1 10 10 TYR CB C 13 35.719 0 . . . . . . 10 Y CB . 26692 1 55 . 1 1 10 10 TYR CG C 13 129.135 0 . . . . . . 10 Y CG . 26692 1 56 . 1 1 10 10 TYR CD1 C 13 133.207 0 . . . . . . 10 Y CD1 . 26692 1 57 . 1 1 10 10 TYR CE2 C 13 117.430 0 . . . . . . 10 Y CE2 . 26692 1 58 . 1 1 10 10 TYR CZ C 13 157.786 0 . . . . . . 10 Y CZ . 26692 1 59 . 1 1 10 10 TYR N N 15 120.839 0 . . . . . . 10 Y N . 26692 1 60 . 1 1 15 15 GLN C C 13 173.852 0 . . . . . . 15 Q C . 26692 1 61 . 1 1 15 15 GLN CA C 13 54.140 0 . . . . . . 15 Q CA . 26692 1 62 . 1 1 15 15 GLN CB C 13 31.482 0 . . . . . . 15 Q CB . 26692 1 63 . 1 1 15 15 GLN CG C 13 34.142 0 . . . . . . 15 Q CG . 26692 1 64 . 1 1 15 15 GLN CD C 13 177.678 0 . . . . . . 15 Q CD . 26692 1 65 . 1 1 15 15 GLN N N 15 125.029 0 . . . . . . 15 Q N . 26692 1 66 . 1 1 15 15 GLN NE2 N 15 107.528 0 . . . . . . 15 Q NE2 . 26692 1 67 . 1 1 16 16 LYS C C 13 172.244 0 . . . . . . 16 K C . 26692 1 68 . 1 1 16 16 LYS CA C 13 54.794 0 . . . . . . 16 K CA . 26692 1 69 . 1 1 16 16 LYS CB C 13 37.646 0 . . . . . . 16 K CB . 26692 1 70 . 1 1 16 16 LYS N N 15 123.921 0 . . . . . . 16 K N . 26692 1 71 . 1 1 17 17 LEU C C 13 174.910 0 . . . . . . 17 L C . 26692 1 72 . 1 1 17 17 LEU CA C 13 54.698 0 . . . . . . 17 L CA . 26692 1 73 . 1 1 17 17 LEU CB C 13 45.183 0 . . . . . . 17 L CB . 26692 1 74 . 1 1 17 17 LEU CG C 13 29.148 0 . . . . . . 17 L CG . 26692 1 75 . 1 1 17 17 LEU CD1 C 13 25.947 0 . . . . . . 17 L CD1 . 26692 1 76 . 1 1 17 17 LEU CD2 C 13 22.853 0 . . . . . . 17 L CD2 . 26692 1 77 . 1 1 17 17 LEU N N 15 129.807 0 . . . . . . 17 L N . 26692 1 78 . 1 1 18 18 VAL C C 13 174.183 0 . . . . . . 18 V C . 26692 1 79 . 1 1 18 18 VAL CA C 13 59.592 0 . . . . . . 18 V CA . 26692 1 80 . 1 1 18 18 VAL CB C 13 35.700 0 . . . . . . 18 V CB . 26692 1 81 . 1 1 18 18 VAL CG1 C 13 20.859 0 . . . . . . 18 V CG# . 26692 1 82 . 1 1 18 18 VAL CG2 C 13 20.859 0 . . . . . . 18 V CG# . 26692 1 83 . 1 1 18 18 VAL N N 15 123.666 0 . . . . . . 18 V N . 26692 1 84 . 1 1 19 19 PHE C C 13 174.739 0 . . . . . . 19 F C . 26692 1 85 . 1 1 19 19 PHE CA C 13 60.169 0 . . . . . . 19 F CA . 26692 1 86 . 1 1 19 19 PHE CB C 13 40.636 0 . . . . . . 19 F CB . 26692 1 87 . 1 1 19 19 PHE CG C 13 139.799 0 . . . . . . 19 F CG . 26692 1 88 . 1 1 19 19 PHE CD2 C 13 131.006 0 . . . . . . 19 F CD2 . 26692 1 89 . 1 1 19 19 PHE CE1 C 13 130.018 0 . . . . . . 19 F CE1 . 26692 1 90 . 1 1 19 19 PHE CZ C 13 128.392 0 . . . . . . 19 F CZ . 26692 1 91 . 1 1 19 19 PHE N N 15 128.544 0 . . . . . . 19 F N . 26692 1 92 . 1 1 20 20 PHE C C 13 174.597 0 . . . . . . 20 F C . 26692 1 93 . 1 1 20 20 PHE CA C 13 56.779 0 . . . . . . 20 F CA . 26692 1 94 . 1 1 20 20 PHE CB C 13 40.337 0 . . . . . . 20 F CB . 26692 1 95 . 1 1 20 20 PHE CG C 13 139.912 0 . . . . . . 20 F CG . 26692 1 96 . 1 1 20 20 PHE CD2 C 13 134.052 0 . . . . . . 20 F CD2 . 26692 1 97 . 1 1 20 20 PHE CE1 C 13 130.726 0 . . . . . . 20 F CE1 . 26692 1 98 . 1 1 20 20 PHE CZ C 13 127.404 0 . . . . . . 20 F CZ . 26692 1 99 . 1 1 20 20 PHE N N 15 115.409 0 . . . . . . 20 F N . 26692 1 100 . 1 1 21 21 ALA C C 13 177.167 0 . . . . . . 21 A C . 26692 1 101 . 1 1 21 21 ALA CA C 13 52.743 0 . . . . . . 21 A CA . 26692 1 102 . 1 1 21 21 ALA CB C 13 20.606 0 . . . . . . 21 A CB . 26692 1 103 . 1 1 21 21 ALA N N 15 121.578 0 . . . . . . 21 A N . 26692 1 104 . 1 1 22 22 GLU C C 13 175.415 0 . . . . . . 22 E C . 26692 1 105 . 1 1 22 22 GLU CA C 13 54.391 0 . . . . . . 22 E CA . 26692 1 106 . 1 1 22 22 GLU CB C 13 32.407 0 . . . . . . 22 E CB . 26692 1 107 . 1 1 22 22 GLU CG C 13 35.453 0 . . . . . . 22 E CG . 26692 1 108 . 1 1 22 22 GLU CD C 13 180.783 0 . . . . . . 22 E CD . 26692 1 109 . 1 1 22 22 GLU N N 15 116.307 0 . . . . . . 22 E N . 26692 1 110 . 1 1 23 23 ASP C C 13 175.680 0 . . . . . . 23 D C . 26692 1 111 . 1 1 23 23 ASP CA C 13 55.859 0 . . . . . . 23 D CA . 26692 1 112 . 1 1 23 23 ASP CB C 13 41.328 0 . . . . . . 23 D CB . 26692 1 113 . 1 1 23 23 ASP CG C 13 180.205 0 . . . . . . 23 D CG . 26692 1 114 . 1 1 23 23 ASP N N 15 120.035 0 . . . . . . 23 D N . 26692 1 115 . 1 1 24 24 VAL C C 13 177.172 0 . . . . . . 24 V C . 26692 1 116 . 1 1 24 24 VAL CA C 13 59.290 0 . . . . . . 24 V CA . 26692 1 117 . 1 1 24 24 VAL CB C 13 35.787 0 . . . . . . 24 V CB . 26692 1 118 . 1 1 24 24 VAL CG1 C 13 23.027 0 . . . . . . 24 V CG1 . 26692 1 119 . 1 1 24 24 VAL CG2 C 13 20.851 0 . . . . . . 24 V CG2 . 26692 1 120 . 1 1 24 24 VAL N N 15 116.282 0 . . . . . . 24 V N . 26692 1 121 . 1 1 25 25 GLY C C 13 174.119 0 . . . . . . 25 G C . 26692 1 122 . 1 1 25 25 GLY CA C 13 48.162 0 . . . . . . 25 G CA . 26692 1 123 . 1 1 25 25 GLY N N 15 115.640 0 . . . . . . 25 G N . 26692 1 124 . 1 1 26 26 SER C C 13 172.849 0 . . . . . . 26 S C . 26692 1 125 . 1 1 26 26 SER CA C 13 56.281 0 . . . . . . 26 S CA . 26692 1 126 . 1 1 26 26 SER CB C 13 65.738 0 . . . . . . 26 S CB . 26692 1 127 . 1 1 26 26 SER N N 15 111.859 0 . . . . . . 26 S N . 26692 1 128 . 1 1 27 27 ASN C C 13 174.036 0 . . . . . . 27 N C . 26692 1 129 . 1 1 27 27 ASN CA C 13 53.137 0 . . . . . . 27 N CA . 26692 1 130 . 1 1 27 27 ASN CB C 13 42.993 0 . . . . . . 27 N CB . 26692 1 131 . 1 1 27 27 ASN CG C 13 175.419 0 . . . . . . 27 N CG . 26692 1 132 . 1 1 27 27 ASN N N 15 116.965 0 . . . . . . 27 N N . 26692 1 133 . 1 1 27 27 ASN ND2 N 15 109.837 0 . . . . . . 27 N ND2 . 26692 1 134 . 1 1 28 28 LYS C C 13 175.457 0 . . . . . . 28 K C . 26692 1 135 . 1 1 28 28 LYS CA C 13 54.993 0 . . . . . . 28 K CA . 26692 1 136 . 1 1 28 28 LYS CB C 13 35.332 0 . . . . . . 28 K CB . 26692 1 137 . 1 1 28 28 LYS CG C 13 26.676 0 . . . . . . 28 K CG . 26692 1 138 . 1 1 28 28 LYS CD C 13 30.621 0 . . . . . . 28 K CD . 26692 1 139 . 1 1 28 28 LYS CE C 13 42.320 0 . . . . . . 28 K CE . 26692 1 140 . 1 1 28 28 LYS N N 15 129.197 0 . . . . . . 28 K N . 26692 1 141 . 1 1 28 28 LYS NZ N 15 32.153 0 . . . . . . 28 K NZ . 26692 1 142 . 1 1 29 29 GLY C C 13 171.396 0 . . . . . . 29 G C . 26692 1 143 . 1 1 29 29 GLY CA C 13 48.576 0 . . . . . . 29 G CA . 26692 1 144 . 1 1 29 29 GLY N N 15 111.051 0 . . . . . . 29 G N . 26692 1 145 . 1 1 30 30 ALA C C 13 176.078 0 . . . . . . 30 A C . 26692 1 146 . 1 1 30 30 ALA CA C 13 50.820 0 . . . . . . 30 A CA . 26692 1 147 . 1 1 30 30 ALA CB C 13 21.669 0 . . . . . . 30 A CB . 26692 1 148 . 1 1 30 30 ALA N N 15 123.594 0 . . . . . . 30 A N . 26692 1 149 . 1 1 31 31 ILE C C 13 173.738 0 . . . . . . 31 I C . 26692 1 150 . 1 1 31 31 ILE CA C 13 59.725 0 . . . . . . 31 I CA . 26692 1 151 . 1 1 31 31 ILE CB C 13 44.664 0 . . . . . . 31 I CB . 26692 1 152 . 1 1 31 31 ILE CG1 C 13 27.706 0 . . . . . . 31 I CG1 . 26692 1 153 . 1 1 31 31 ILE CG2 C 13 18.864 0 . . . . . . 31 I CG2 . 26692 1 154 . 1 1 31 31 ILE CD1 C 13 14.694 0 . . . . . . 31 I CD1 . 26692 1 155 . 1 1 31 31 ILE N N 15 119.395 0 . . . . . . 31 I N . 26692 1 156 . 1 1 32 32 ILE C C 13 174.488 0 . . . . . . 32 I C . 26692 1 157 . 1 1 32 32 ILE CA C 13 60.105 0 . . . . . . 32 I CA . 26692 1 158 . 1 1 32 32 ILE CB C 13 41.369 0 . . . . . . 32 I CB . 26692 1 159 . 1 1 32 32 ILE CG1 C 13 27.687 0 . . . . . . 32 I CG1 . 26692 1 160 . 1 1 32 32 ILE CG2 C 13 19.055 0 . . . . . . 32 I CG2 . 26692 1 161 . 1 1 32 32 ILE CD1 C 13 14.542 0 . . . . . . 32 I CD1 . 26692 1 162 . 1 1 32 32 ILE N N 15 124.061 0 . . . . . . 32 I N . 26692 1 163 . 1 1 33 33 GLY C C 13 172.704 0 . . . . . . 33 G C . 26692 1 164 . 1 1 33 33 GLY CA C 13 45.775 0 . . . . . . 33 G CA . 26692 1 165 . 1 1 33 33 GLY N N 15 109.062 0 . . . . . . 33 G N . 26692 1 166 . 1 1 34 34 LEU C C 13 178.749 0 . . . . . . 34 L C . 26692 1 167 . 1 1 34 34 LEU CA C 13 57.115 0 . . . . . . 34 L CA . 26692 1 168 . 1 1 34 34 LEU CB C 13 42.035 0 . . . . . . 34 L CB . 26692 1 169 . 1 1 34 34 LEU CG C 13 26.373 0 . . . . . . 34 L CG . 26692 1 170 . 1 1 34 34 LEU CD1 C 13 21.421 0 . . . . . . 34 L CD1 . 26692 1 171 . 1 1 34 34 LEU CD2 C 13 27.612 0 . . . . . . 34 L CD2 . 26692 1 172 . 1 1 34 34 LEU N N 15 109.158 0 . . . . . . 34 L N . 26692 1 173 . 1 1 35 35 MET C C 13 173.364 0 . . . . . . 35 M C . 26692 1 174 . 1 1 35 35 MET CA C 13 54.972 0 . . . . . . 35 M CA . 26692 1 175 . 1 1 35 35 MET CB C 13 36.796 0 . . . . . . 35 M CB . 26692 1 176 . 1 1 35 35 MET CG C 13 30.935 0 . . . . . . 35 M CG . 26692 1 177 . 1 1 35 35 MET CE C 13 17.272 0 . . . . . . 35 M CE . 26692 1 178 . 1 1 35 35 MET N N 15 116.158 0 . . . . . . 35 M N . 26692 1 179 . 1 1 36 36 VAL C C 13 175.148 0 . . . . . . 36 V C . 26692 1 180 . 1 1 36 36 VAL CA C 13 60.725 0 . . . . . . 36 V CA . 26692 1 181 . 1 1 36 36 VAL CB C 13 34.533 0 . . . . . . 36 V CB . 26692 1 182 . 1 1 36 36 VAL CG1 C 13 21.768 0 . . . . . . 36 V CG1 . 26692 1 183 . 1 1 36 36 VAL CG2 C 13 19.897 0 . . . . . . 36 V CG2 . 26692 1 184 . 1 1 36 36 VAL N N 15 122.587 0 . . . . . . 36 V N . 26692 1 185 . 1 1 37 37 GLY C C 13 172.642 0 . . . . . . 37 G C . 26692 1 186 . 1 1 37 37 GLY CA C 13 45.376 0 . . . . . . 37 G CA . 26692 1 187 . 1 1 37 37 GLY N N 15 113.917 0 . . . . . . 37 G N . 26692 1 188 . 1 1 38 38 GLY C C 13 175.150 0 . . . . . . 38 G C . 26692 1 189 . 1 1 38 38 GLY CA C 13 48.719 0 . . . . . . 38 G CA . 26692 1 190 . 1 1 38 38 GLY N N 15 112.582 0 . . . . . . 38 G N . 26692 1 191 . 1 1 39 39 VAL C C 13 174.083 0 . . . . . . 39 V C . 26692 1 192 . 1 1 39 39 VAL CA C 13 59.531 0 . . . . . . 39 V CA . 26692 1 193 . 1 1 39 39 VAL CB C 13 35.238 0 . . . . . . 39 V CB . 26692 1 194 . 1 1 39 39 VAL CG1 C 13 20.900 0 . . . . . . 39 V CG# . 26692 1 195 . 1 1 39 39 VAL CG2 C 13 20.900 0 . . . . . . 39 V CG# . 26692 1 196 . 1 1 39 39 VAL N N 15 116.500 0 . . . . . . 39 V N . 26692 1 197 . 1 1 40 40 VAL C C 13 174.034 0 . . . . . . 40 V C . 26692 1 198 . 1 1 40 40 VAL CA C 13 61.144 0 . . . . . . 40 V CA . 26692 1 199 . 1 1 40 40 VAL CB C 13 35.777 0 . . . . . . 40 V CB . 26692 1 200 . 1 1 40 40 VAL CG1 C 13 21.155 0 . . . . . . 40 V CG# . 26692 1 201 . 1 1 40 40 VAL CG2 C 13 21.155 0 . . . . . . 40 V CG# . 26692 1 202 . 1 1 40 40 VAL N N 15 125.159 0 . . . . . . 40 V N . 26692 1 203 . 1 1 41 41 ILE C C 13 173.621 0 . . . . . . 41 I C . 26692 1 204 . 1 1 41 41 ILE CA C 13 60.026 0 . . . . . . 41 I CA . 26692 1 205 . 1 1 41 41 ILE CB C 13 40.086 0 . . . . . . 41 I CB . 26692 1 206 . 1 1 41 41 ILE CG1 C 13 27.998 0 . . . . . . 41 I CG1 . 26692 1 207 . 1 1 41 41 ILE CG2 C 13 19.282 0 . . . . . . 41 I CG2 . 26692 1 208 . 1 1 41 41 ILE CD1 C 13 14.625 0 . . . . . . 41 I CD1 . 26692 1 209 . 1 1 41 41 ILE N N 15 126.569 0 . . . . . . 41 I N . 26692 1 210 . 1 1 42 42 ALA C C 13 182.041 0 . . . . . . 42 A C . 26692 1 211 . 1 1 42 42 ALA CA C 13 53.205 0 . . . . . . 42 A CA . 26692 1 212 . 1 1 42 42 ALA CB C 13 23.568 0 . . . . . . 42 A CB . 26692 1 213 . 1 1 42 42 ALA N N 15 130.829 0 . . . . . . 42 A N . 26692 1 stop_ save_