data_27061 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27061 _Entry.Title ; Backbone assignments of Escherichia coli. holo-Acyl Carrier protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-03-30 _Entry.Accession_date 2017-03-30 _Entry.Last_release_date 2017-03-30 _Entry.Original_release_date 2017-03-30 _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 solution _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 Aaron Marcella . M. . . 27061 2 Adam Barb . W. . . 27061 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27061 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 228 27061 '15N chemical shifts' 77 27061 '1H chemical shifts' 77 27061 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 . . 2017-03-31 . original BMRB . 27061 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27061 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Backbone assignment of E. coli acyl carrier protein ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Aaron Marcella . M. . . 27061 1 2 Adam Barb . W. . . 27061 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27061 _Assembly.ID 1 _Assembly.Name ACPP-monomer _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 9100 _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 ACPP 1 $holo-Acyl_Carrier_Protein(ACPP) A . yes native no no . . . 27061 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_holo-Acyl_Carrier_Protein(ACPP) _Entity.Sf_category entity _Entity.Sf_framecode holo-Acyl_Carrier_Protein(ACPP) _Entity.Entry_ID 27061 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name holo-Acyl_Carrier_Protein(ACPP) _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 ; MGSTIEERVKKIIGEQLGVK QEEVTNNASFVEDLGADSLD TVELVMALEEEFDTEIPDEE AEKITTVQAAIDYINGHQA ; _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 79 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _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 . MET . 27061 1 2 . GLY . 27061 1 3 . SER . 27061 1 4 . THR . 27061 1 5 . ILE . 27061 1 6 . GLU . 27061 1 7 . GLU . 27061 1 8 . ARG . 27061 1 9 . VAL . 27061 1 10 . LYS . 27061 1 11 . LYS . 27061 1 12 . ILE . 27061 1 13 . ILE . 27061 1 14 . GLY . 27061 1 15 . GLU . 27061 1 16 . GLN . 27061 1 17 . LEU . 27061 1 18 . GLY . 27061 1 19 . VAL . 27061 1 20 . LYS . 27061 1 21 . GLN . 27061 1 22 . GLU . 27061 1 23 . GLU . 27061 1 24 . VAL . 27061 1 25 . THR . 27061 1 26 . ASN . 27061 1 27 . ASN . 27061 1 28 . ALA . 27061 1 29 . SER . 27061 1 30 . PHE . 27061 1 31 . VAL . 27061 1 32 . GLU . 27061 1 33 . ASP . 27061 1 34 . LEU . 27061 1 35 . GLY . 27061 1 36 . ALA . 27061 1 37 . ASP . 27061 1 38 . SER . 27061 1 39 . LEU . 27061 1 40 . ASP . 27061 1 41 . THR . 27061 1 42 . VAL . 27061 1 43 . GLU . 27061 1 44 . LEU . 27061 1 45 . VAL . 27061 1 46 . MET . 27061 1 47 . ALA . 27061 1 48 . LEU . 27061 1 49 . GLU . 27061 1 50 . GLU . 27061 1 51 . GLU . 27061 1 52 . PHE . 27061 1 53 . ASP . 27061 1 54 . THR . 27061 1 55 . GLU . 27061 1 56 . ILE . 27061 1 57 . PRO . 27061 1 58 . ASP . 27061 1 59 . GLU . 27061 1 60 . GLU . 27061 1 61 . ALA . 27061 1 62 . GLU . 27061 1 63 . LYS . 27061 1 64 . ILE . 27061 1 65 . THR . 27061 1 66 . THR . 27061 1 67 . VAL . 27061 1 68 . GLN . 27061 1 69 . ALA . 27061 1 70 . ALA . 27061 1 71 . ILE . 27061 1 72 . ASP . 27061 1 73 . TYR . 27061 1 74 . ILE . 27061 1 75 . ASN . 27061 1 76 . GLY . 27061 1 77 . HIS . 27061 1 78 . GLN . 27061 1 79 . ALA . 27061 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 . MET 1 1 27061 1 . GLY 2 2 27061 1 . SER 3 3 27061 1 . THR 4 4 27061 1 . ILE 5 5 27061 1 . GLU 6 6 27061 1 . GLU 7 7 27061 1 . ARG 8 8 27061 1 . VAL 9 9 27061 1 . LYS 10 10 27061 1 . LYS 11 11 27061 1 . ILE 12 12 27061 1 . ILE 13 13 27061 1 . GLY 14 14 27061 1 . GLU 15 15 27061 1 . GLN 16 16 27061 1 . LEU 17 17 27061 1 . GLY 18 18 27061 1 . VAL 19 19 27061 1 . LYS 20 20 27061 1 . GLN 21 21 27061 1 . GLU 22 22 27061 1 . GLU 23 23 27061 1 . VAL 24 24 27061 1 . THR 25 25 27061 1 . ASN 26 26 27061 1 . ASN 27 27 27061 1 . ALA 28 28 27061 1 . SER 29 29 27061 1 . PHE 30 30 27061 1 . VAL 31 31 27061 1 . GLU 32 32 27061 1 . ASP 33 33 27061 1 . LEU 34 34 27061 1 . GLY 35 35 27061 1 . ALA 36 36 27061 1 . ASP 37 37 27061 1 . SER 38 38 27061 1 . LEU 39 39 27061 1 . ASP 40 40 27061 1 . THR 41 41 27061 1 . VAL 42 42 27061 1 . GLU 43 43 27061 1 . LEU 44 44 27061 1 . VAL 45 45 27061 1 . MET 46 46 27061 1 . ALA 47 47 27061 1 . LEU 48 48 27061 1 . GLU 49 49 27061 1 . GLU 50 50 27061 1 . GLU 51 51 27061 1 . PHE 52 52 27061 1 . ASP 53 53 27061 1 . THR 54 54 27061 1 . GLU 55 55 27061 1 . ILE 56 56 27061 1 . PRO 57 57 27061 1 . ASP 58 58 27061 1 . GLU 59 59 27061 1 . GLU 60 60 27061 1 . ALA 61 61 27061 1 . GLU 62 62 27061 1 . LYS 63 63 27061 1 . ILE 64 64 27061 1 . THR 65 65 27061 1 . THR 66 66 27061 1 . VAL 67 67 27061 1 . GLN 68 68 27061 1 . ALA 69 69 27061 1 . ALA 70 70 27061 1 . ILE 71 71 27061 1 . ASP 72 72 27061 1 . TYR 73 73 27061 1 . ILE 74 74 27061 1 . ASN 75 75 27061 1 . GLY 76 76 27061 1 . HIS 77 77 27061 1 . GLN 78 78 27061 1 . ALA 79 79 27061 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 27061 _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 $holo-Acyl_Carrier_Protein(ACPP) . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 27061 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 27061 _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 $holo-Acyl_Carrier_Protein(ACPP) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pETDUET . . . 27061 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_holo-Acyl_Carrier_Protein _Sample.Sf_category sample _Sample.Sf_framecode holo-Acyl_Carrier_Protein _Sample.Entry_ID 27061 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.2 mM [13C, 15N] holo-ACPP 25 mM MOPS 100 mM NaCl 10 mM MgCl2 1 mM DSS 1 mM DTT ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 D2O [U-2H] . . . . . . 5 . . % . . . . 27061 1 2 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 27061 1 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 27061 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 27061 1 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27061 1 6 MgCl2 'natural abundance' . . . . . . 10 . . mM . . . . 27061 1 7 MOPS 'natural abundance' . . . . . . 25 . . mM . . . . 27061 1 8 'holo-Acyl Carrier Protein(ACPP)' '[U-13C; U-15N]' . . 1 $holo-Acyl_Carrier_Protein(ACPP) . . 1.2 . . mM . . . . 27061 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 27061 _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 'ionic strength' 110 . mM 27061 1 pH 7.1 . pH 27061 1 pressure 1 . atm 27061 1 temperature 303 . K 27061 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27061 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27061 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27061 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 27061 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 27061 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27061 2 'data analysis' 27061 2 'peak picking' 27061 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 27061 _Software.ID 3 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27061 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27061 3 processing 27061 3 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 27061 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 27061 _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 . 700 . . . 27061 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 27061 _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 '3D HNCO' no . . . . . . . . . . 1 $holo-Acyl_Carrier_Protein isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27061 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $holo-Acyl_Carrier_Protein isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27061 1 3 '3D CBCANH' no . . . . . . . . . . 1 $holo-Acyl_Carrier_Protein isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27061 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 27061 _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 0.07 internal indirect 0.251449530 . . . . . 27061 1 H 1 DSS 'methyl protons' . . . . ppm 0.07 internal direct 1 . . . . . 27061 1 N 15 DSS 'methyl protons' . . . . ppm 0.07 internal indirect 0.101329118 . . . . . 27061 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_holo-ACPP_Assignment _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode holo-ACPP_Assignment _Assigned_chem_shift_list.Entry_ID 27061 _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 '3D HNCO' . . . 27061 1 2 '3D CBCA(CO)NH' . . . 27061 1 3 '3D CBCANH' . . . 27061 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 MET C C 13 178.059 0.2 . 1 . . . . 1 MET C . 27061 1 2 . 1 1 2 2 GLY H H 1 8.55337 0.01 . 1 . . . . 2 GLY H . 27061 1 3 . 1 1 2 2 GLY C C 13 174.019 0.2 . 1 . . . . 2 GLY C . 27061 1 4 . 1 1 2 2 GLY CA C 13 45.5676 0.25 . 1 . . . . 2 GLY CA . 27061 1 5 . 1 1 2 2 GLY N N 15 110.279 0.2 . 1 . . . . 2 GLY N . 27061 1 6 . 1 1 3 3 SER H H 1 8.23157 0.01 . 1 . . . . 3 SER H . 27061 1 7 . 1 1 3 3 SER C C 13 175.019 0.2 . 1 . . . . 3 SER C . 27061 1 8 . 1 1 3 3 SER CA C 13 58.3063 0.25 . 1 . . . . 3 SER CA . 27061 1 9 . 1 1 3 3 SER CB C 13 64.6356 0.25 . 1 . . . . 3 SER CB . 27061 1 10 . 1 1 3 3 SER N N 15 115.488 0.2 . 1 . . . . 3 SER N . 27061 1 11 . 1 1 4 4 THR H H 1 8.40729 0.01 . 1 . . . . 4 THR H . 27061 1 12 . 1 1 4 4 THR C C 13 175.525 0.2 . 1 . . . . 4 THR C . 27061 1 13 . 1 1 4 4 THR CA C 13 61.5911 0.25 . 1 . . . . 4 THR CA . 27061 1 14 . 1 1 4 4 THR CB C 13 71.2853 0.25 . 1 . . . . 4 THR CB . 27061 1 15 . 1 1 4 4 THR N N 15 114.551 0.2 . 1 . . . . 4 THR N . 27061 1 16 . 1 1 5 5 ILE H H 1 8.5929 0.01 . 1 . . . . 5 ILE H . 27061 1 17 . 1 1 5 5 ILE C C 13 177.66995 0.2 . 1 . . . . 5 ILE C . 27061 1 18 . 1 1 5 5 ILE CA C 13 65.2765 0.25 . 1 . . . . 5 ILE CA . 27061 1 19 . 1 1 5 5 ILE CB C 13 36.9951 0.25 . 1 . . . . 5 ILE CB . 27061 1 20 . 1 1 5 5 ILE N N 15 121.739 0.2 . 1 . . . . 5 ILE N . 27061 1 21 . 1 1 6 6 GLU H H 1 8.64234 0.01 . 1 . . . . 6 GLU H . 27061 1 22 . 1 1 6 6 GLU C C 13 177.64246 0.2 . 1 . . . . 6 GLU C . 27061 1 23 . 1 1 6 6 GLU CA C 13 61.0303 0.25 . 1 . . . . 6 GLU CA . 27061 1 24 . 1 1 6 6 GLU CB C 13 29.5442 0.25 . 1 . . . . 6 GLU CB . 27061 1 25 . 1 1 6 6 GLU N N 15 118.66154 0.2 . 1 . . . . 6 GLU N . 27061 1 26 . 1 1 7 7 GLU H H 1 7.82688 0.01 . 1 . . . . 7 GLU H . 27061 1 27 . 1 1 7 7 GLU C C 13 179.59099 0.2 . 1 . . . . 7 GLU C . 27061 1 28 . 1 1 7 7 GLU CA C 13 59.8285 0.25 . 1 . . . . 7 GLU CA . 27061 1 29 . 1 1 7 7 GLU CB C 13 30.105 0.25 . 1 . . . . 7 GLU CB . 27061 1 30 . 1 1 7 7 GLU N N 15 117.26016 0.2 . 1 . . . . 7 GLU N . 27061 1 31 . 1 1 8 8 ARG H H 1 8.34931 0.01 . 1 . . . . 8 ARG H . 27061 1 32 . 1 1 8 8 ARG C C 13 179.1098 0.2 . 1 . . . . 8 ARG C . 27061 1 33 . 1 1 8 8 ARG CA C 13 59.9087 0.25 . 1 . . . . 8 ARG CA . 27061 1 34 . 1 1 8 8 ARG CB C 13 32.9091 0.25 . 1 . . . . 8 ARG CB . 27061 1 35 . 1 1 8 8 ARG N N 15 120.01744 0.2 . 1 . . . . 8 ARG N . 27061 1 36 . 1 1 9 9 VAL H H 1 8.97302 0.01 . 1 . . . . 9 VAL H . 27061 1 37 . 1 1 9 9 VAL C C 13 177.85194 0.2 . 1 . . . . 9 VAL C . 27061 1 38 . 1 1 9 9 VAL CA C 13 67.7602 0.25 . 1 . . . . 9 VAL CA . 27061 1 39 . 1 1 9 9 VAL CB C 13 31.8676 0.25 . 1 . . . . 9 VAL CB . 27061 1 40 . 1 1 9 9 VAL N N 15 119.35825 0.2 . 1 . . . . 9 VAL N . 27061 1 41 . 1 1 10 10 LYS H H 1 8.21011 0.01 . 1 . . . . 10 LYS H . 27061 1 42 . 1 1 10 10 LYS C C 13 178.82799 0.2 . 1 . . . . 10 LYS C . 27061 1 43 . 1 1 10 10 LYS CA C 13 61.7513 0.25 . 1 . . . . 10 LYS CA . 27061 1 44 . 1 1 10 10 LYS CB C 13 32.6687 0.25 . 1 . . . . 10 LYS CB . 27061 1 45 . 1 1 10 10 LYS N N 15 117.21626 0.2 . 1 . . . . 10 LYS N . 27061 1 46 . 1 1 11 11 LYS H H 1 8.18687 0.01 . 1 . . . . 11 LYS H . 27061 1 47 . 1 1 11 11 LYS C C 13 178.71733 0.2 . 1 . . . . 11 LYS C . 27061 1 48 . 1 1 11 11 LYS CA C 13 59.9888 0.25 . 1 . . . . 11 LYS CA . 27061 1 49 . 1 1 11 11 LYS CB C 13 32.79 0.25 . 1 . . . . 11 LYS CB . 27061 1 50 . 1 1 11 11 LYS N N 15 120.97913 0.2 . 1 . . . . 11 LYS N . 27061 1 51 . 1 1 12 12 ILE H H 1 7.66498 0.01 . 1 . . . . 12 ILE H . 27061 1 52 . 1 1 12 12 ILE C C 13 178.24808 0.2 . 1 . . . . 12 ILE C . 27061 1 53 . 1 1 12 12 ILE CA C 13 63.3537 0.25 . 1 . . . . 12 ILE CA . 27061 1 54 . 1 1 12 12 ILE CB C 13 37.3156 0.25 . 1 . . . . 12 ILE CB . 27061 1 55 . 1 1 12 12 ILE N N 15 119.34267 0.2 . 1 . . . . 12 ILE N . 27061 1 56 . 1 1 13 13 ILE H H 1 8.28666 0.01 . 1 . . . . 13 ILE H . 27061 1 57 . 1 1 13 13 ILE C C 13 177.5986 0.2 . 1 . . . . 13 ILE C . 27061 1 58 . 1 1 13 13 ILE CA C 13 65.9976 0.25 . 1 . . . . 13 ILE CA . 27061 1 59 . 1 1 13 13 ILE CB C 13 38.0366 0.25 . 1 . . . . 13 ILE CB . 27061 1 60 . 1 1 13 13 ILE N N 15 119.12035 0.2 . 1 . . . . 13 ILE N . 27061 1 61 . 1 1 14 14 GLY H H 1 8.39908 0.01 . 1 . . . . 14 GLY H . 27061 1 62 . 1 1 14 14 GLY C C 13 176.23663 0.2 . 1 . . . . 14 GLY C . 27061 1 63 . 1 1 14 14 GLY CA C 13 48.0513 0.25 . 1 . . . . 14 GLY CA . 27061 1 64 . 1 1 14 14 GLY N N 15 105.2763 0.2 . 1 . . . . 14 GLY N . 27061 1 65 . 1 1 15 15 GLU H H 1 8.15849 0.01 . 1 . . . . 15 GLU H . 27061 1 66 . 1 1 15 15 GLU C C 13 179.68103 0.2 . 1 . . . . 15 GLU C . 27061 1 67 . 1 1 15 15 GLU CA C 13 59.1876 0.25 . 1 . . . . 15 GLU CA . 27061 1 68 . 1 1 15 15 GLU CB C 13 30.0249 0.25 . 1 . . . . 15 GLU CB . 27061 1 69 . 1 1 15 15 GLU N N 15 120.13221 0.2 . 1 . . . . 15 GLU N . 27061 1 70 . 1 1 16 16 GLN H H 1 8.48946 0.01 . 1 . . . . 16 GLN H . 27061 1 71 . 1 1 16 16 GLN C C 13 177.6938 0.2 . 1 . . . . 16 GLN C . 27061 1 72 . 1 1 16 16 GLN CA C 13 58.1461 0.25 . 1 . . . . 16 GLN CA . 27061 1 73 . 1 1 16 16 GLN CB C 13 28.743 0.25 . 1 . . . . 16 GLN CB . 27061 1 74 . 1 1 16 16 GLN N N 15 117.56897 0.2 . 1 . . . . 16 GLN N . 27061 1 75 . 1 1 17 17 LEU H H 1 8.04978 0.01 . 1 . . . . 17 LEU H . 27061 1 76 . 1 1 17 17 LEU C C 13 177.293 0.2 . 1 . . . . 17 LEU C . 27061 1 77 . 1 1 17 17 LEU CA C 13 54.701 0.25 . 1 . . . . 17 LEU CA . 27061 1 78 . 1 1 17 17 LEU CB C 13 41.4817 0.25 . 1 . . . . 17 LEU CB . 27061 1 79 . 1 1 17 17 LEU N N 15 113.2262 0.2 . 1 . . . . 17 LEU N . 27061 1 80 . 1 1 18 18 GLY H H 1 7.76728 0.01 . 1 . . . . 18 GLY H . 27061 1 81 . 1 1 18 18 GLY C C 13 174.90883 0.2 . 1 . . . . 18 GLY C . 27061 1 82 . 1 1 18 18 GLY CA C 13 47.3302 0.25 . 1 . . . . 18 GLY CA . 27061 1 83 . 1 1 18 18 GLY N N 15 110.24352 0.2 . 1 . . . . 18 GLY N . 27061 1 84 . 1 1 19 19 VAL H H 1 7.82126 0.01 . 1 . . . . 19 VAL H . 27061 1 85 . 1 1 19 19 VAL C C 13 175.13472 0.2 . 1 . . . . 19 VAL C . 27061 1 86 . 1 1 19 19 VAL CA C 13 59.1876 0.25 . 1 . . . . 19 VAL CA . 27061 1 87 . 1 1 19 19 VAL CB C 13 34.5114 0.25 . 1 . . . . 19 VAL CB . 27061 1 88 . 1 1 19 19 VAL N N 15 113.72413 0.2 . 1 . . . . 19 VAL N . 27061 1 89 . 1 1 20 20 LYS H H 1 8.53862 0.01 . 1 . . . . 20 LYS H . 27061 1 90 . 1 1 20 20 LYS C C 13 178.6205 0.2 . 1 . . . . 20 LYS C . 27061 1 91 . 1 1 20 20 LYS CA C 13 56.6238 0.25 . 1 . . . . 20 LYS CA . 27061 1 92 . 1 1 20 20 LYS CB C 13 33.0693 0.25 . 1 . . . . 20 LYS CB . 27061 1 93 . 1 1 20 20 LYS N N 15 122.81465 0.2 . 1 . . . . 20 LYS N . 27061 1 94 . 1 1 21 21 GLN H H 1 8.79323 0.01 . 1 . . . . 21 GLN H . 27061 1 95 . 1 1 21 21 GLN C C 13 178.82256 0.2 . 1 . . . . 21 GLN C . 27061 1 96 . 1 1 21 21 GLN CA C 13 59.8285 0.25 . 1 . . . . 21 GLN CA . 27061 1 97 . 1 1 21 21 GLN CB C 13 28.6629 0.25 . 1 . . . . 21 GLN CB . 27061 1 98 . 1 1 21 21 GLN N N 15 122.70109 0.2 . 1 . . . . 21 GLN N . 27061 1 99 . 1 1 22 22 GLU H H 1 9.41226 0.01 . 1 . . . . 22 GLU H . 27061 1 100 . 1 1 22 22 GLU C C 13 177.37225 0.2 . 1 . . . . 22 GLU C . 27061 1 101 . 1 1 22 22 GLU CA C 13 58.8671 0.25 . 1 . . . . 22 GLU CA . 27061 1 102 . 1 1 22 22 GLU CB C 13 28.9833 0.25 . 1 . . . . 22 GLU CB . 27061 1 103 . 1 1 22 22 GLU N N 15 116.71323 0.2 . 1 . . . . 22 GLU N . 27061 1 104 . 1 1 23 23 GLU H H 1 7.84497 0.01 . 1 . . . . 23 GLU H . 27061 1 105 . 1 1 23 23 GLU C C 13 176.22839 0.2 . 1 . . . . 23 GLU C . 27061 1 106 . 1 1 23 23 GLU CA C 13 56.7841 0.25 . 1 . . . . 23 GLU CA . 27061 1 107 . 1 1 23 23 GLU CB C 13 30.105 0.25 . 1 . . . . 23 GLU CB . 27061 1 108 . 1 1 23 23 GLU N N 15 116.76448 0.2 . 1 . . . . 23 GLU N . 27061 1 109 . 1 1 24 24 VAL H H 1 7.54449 0.01 . 1 . . . . 24 VAL H . 27061 1 110 . 1 1 24 24 VAL C C 13 174.63513 0.2 . 1 . . . . 24 VAL C . 27061 1 111 . 1 1 24 24 VAL CA C 13 62.3923 0.25 . 1 . . . . 24 VAL CA . 27061 1 112 . 1 1 24 24 VAL CB C 13 30.1851 0.25 . 1 . . . . 24 VAL CB . 27061 1 113 . 1 1 24 24 VAL N N 15 122.26921 0.2 . 1 . . . . 24 VAL N . 27061 1 114 . 1 1 25 25 THR H H 1 7.35373 0.01 . 1 . . . . 25 THR H . 27061 1 115 . 1 1 25 25 THR C C 13 175.94313 0.2 . 1 . . . . 25 THR C . 27061 1 116 . 1 1 25 25 THR CA C 13 59.9888 0.25 . 1 . . . . 25 THR CA . 27061 1 117 . 1 1 25 25 THR CB C 13 70.1637 0.25 . 1 . . . . 25 THR CB . 27061 1 118 . 1 1 25 25 THR N N 15 115.48901 0.2 . 1 . . . . 25 THR N . 27061 1 119 . 1 1 26 26 ASN H H 1 8.5869 0.01 . 1 . . . . 26 ASN H . 27061 1 120 . 1 1 26 26 ASN C C 13 175.00746 0.2 . 1 . . . . 26 ASN C . 27061 1 121 . 1 1 26 26 ASN CA C 13 58.066 0.25 . 1 . . . . 26 ASN CA . 27061 1 122 . 1 1 26 26 ASN CB C 13 36.6746 0.25 . 1 . . . . 26 ASN CB . 27061 1 123 . 1 1 26 26 ASN N N 15 118.79824 0.2 . 1 . . . . 26 ASN N . 27061 1 124 . 1 1 27 27 ASN H H 1 8.09453 0.01 . 1 . . . . 27 ASN H . 27061 1 125 . 1 1 27 27 ASN C C 13 174.7677 0.2 . 1 . . . . 27 ASN C . 27061 1 126 . 1 1 27 27 ASN CA C 13 52.8583 0.25 . 1 . . . . 27 ASN CA . 27061 1 127 . 1 1 27 27 ASN CB C 13 38.4372 0.25 . 1 . . . . 27 ASN CB . 27061 1 128 . 1 1 27 27 ASN N N 15 111.58591 0.2 . 1 . . . . 27 ASN N . 27061 1 129 . 1 1 28 28 ALA H H 1 7.35415 0.01 . 1 . . . . 28 ALA H . 27061 1 130 . 1 1 28 28 ALA C C 13 176.85558 0.2 . 1 . . . . 28 ALA C . 27061 1 131 . 1 1 28 28 ALA CA C 13 53.339 0.25 . 1 . . . . 28 ALA CA . 27061 1 132 . 1 1 28 28 ALA CB C 13 18.6482 0.25 . 1 . . . . 28 ALA CB . 27061 1 133 . 1 1 28 28 ALA N N 15 122.91948 0.2 . 1 . . . . 28 ALA N . 27061 1 134 . 1 1 29 29 SER H H 1 9.97183 0.01 . 1 . . . . 29 SER H . 27061 1 135 . 1 1 29 29 SER C C 13 177.4809 0.2 . 1 . . . . 29 SER C . 27061 1 136 . 1 1 29 29 SER CA C 13 56.3034 0.25 . 1 . . . . 29 SER CA . 27061 1 137 . 1 1 29 29 SER CB C 13 64.0748 0.25 . 1 . . . . 29 SER CB . 27061 1 138 . 1 1 29 29 SER N N 15 117.37909 0.2 . 1 . . . . 29 SER N . 27061 1 139 . 1 1 30 30 PHE H H 1 7.60407 0.01 . 1 . . . . 30 PHE H . 27061 1 140 . 1 1 30 30 PHE C C 13 176.43657 0.2 . 1 . . . . 30 PHE C . 27061 1 141 . 1 1 30 30 PHE CA C 13 59.9888 0.25 . 1 . . . . 30 PHE CA . 27061 1 142 . 1 1 30 30 PHE CB C 13 37.2354 0.25 . 1 . . . . 30 PHE CB . 27061 1 143 . 1 1 30 30 PHE N N 15 126.23247 0.2 . 1 . . . . 30 PHE N . 27061 1 144 . 1 1 31 31 VAL H H 1 8.73247 0.01 . 1 . . . . 31 VAL H . 27061 1 145 . 1 1 31 31 VAL C C 13 178.78728 0.2 . 1 . . . . 31 VAL C . 27061 1 146 . 1 1 31 31 VAL CA C 13 64.956 0.25 . 1 . . . . 31 VAL CA . 27061 1 147 . 1 1 31 31 VAL CB C 13 32.6687 0.25 . 1 . . . . 31 VAL CB . 27061 1 148 . 1 1 31 31 VAL N N 15 117.19659 0.2 . 1 . . . . 31 VAL N . 27061 1 149 . 1 1 32 32 GLU H H 1 8.34021 0.01 . 1 . . . . 32 GLU H . 27061 1 150 . 1 1 32 32 GLU C C 13 177.67 0.2 . 1 . . . . 32 GLU C . 27061 1 151 . 1 1 32 32 GLU CA C 13 60.2291 0.25 . 1 . . . . 32 GLU CA . 27061 1 152 . 1 1 32 32 GLU CB C 13 47.4905 0.25 . 1 . . . . 32 GLU CB . 27061 1 153 . 1 1 32 32 GLU N N 15 116.67318 0.2 . 1 . . . . 32 GLU N . 27061 1 154 . 1 1 33 33 ASP H H 1 7.82254 0.01 . 1 . . . . 33 ASP H . 27061 1 155 . 1 1 33 33 ASP C C 13 177.57001 0.2 . 1 . . . . 33 ASP C . 27061 1 156 . 1 1 33 33 ASP CA C 13 56.5437 0.25 . 1 . . . . 33 ASP CA . 27061 1 157 . 1 1 33 33 ASP CB C 13 42.5232 0.25 . 1 . . . . 33 ASP CB . 27061 1 158 . 1 1 33 33 ASP N N 15 113.52626 0.2 . 1 . . . . 33 ASP N . 27061 1 159 . 1 1 34 34 LEU H H 1 7.24154 0.01 . 1 . . . . 34 LEU H . 27061 1 160 . 1 1 34 34 LEU C C 13 177.06454 0.2 . 1 . . . . 34 LEU C . 27061 1 161 . 1 1 34 34 LEU CA C 13 54.701 0.25 . 1 . . . . 34 LEU CA . 27061 1 162 . 1 1 34 34 LEU CB C 13 42.4431 0.25 . 1 . . . . 34 LEU CB . 27061 1 163 . 1 1 34 34 LEU N N 15 115.32773 0.2 . 1 . . . . 34 LEU N . 27061 1 164 . 1 1 35 35 GLY H H 1 7.35597 0.01 . 1 . . . . 35 GLY H . 27061 1 165 . 1 1 35 35 GLY C C 13 174.58057 0.2 . 1 . . . . 35 GLY C . 27061 1 166 . 1 1 35 35 GLY CA C 13 47.0098 0.25 . 1 . . . . 35 GLY CA . 27061 1 167 . 1 1 35 35 GLY N N 15 106.63931 0.2 . 1 . . . . 35 GLY N . 27061 1 168 . 1 1 36 36 ALA H H 1 8.52526 0.01 . 1 . . . . 36 ALA H . 27061 1 169 . 1 1 36 36 ALA C C 13 177.27899 0.2 . 1 . . . . 36 ALA C . 27061 1 170 . 1 1 36 36 ALA CA C 13 52.2975 0.25 . 1 . . . . 36 ALA CA . 27061 1 171 . 1 1 36 36 ALA CB C 13 20.571 0.25 . 1 . . . . 36 ALA CB . 27061 1 172 . 1 1 36 36 ALA N N 15 123.30335 0.2 . 1 . . . . 36 ALA N . 27061 1 173 . 1 1 37 37 ASP H H 1 8.99722 0.01 . 1 . . . . 37 ASP H . 27061 1 174 . 1 1 37 37 ASP C C 13 177.44316 0.2 . 1 . . . . 37 ASP C . 27061 1 175 . 1 1 37 37 ASP CA C 13 51.977 0.25 . 1 . . . . 37 ASP CA . 27061 1 176 . 1 1 37 37 ASP CB C 13 42.5232 0.25 . 1 . . . . 37 ASP CB . 27061 1 177 . 1 1 37 37 ASP N N 15 121.38364 0.2 . 1 . . . . 37 ASP N . 27061 1 178 . 1 1 38 38 SER H H 1 8.63108 0.01 . 1 . . . . 38 SER H . 27061 1 179 . 1 1 38 38 SER C C 13 176.07257 0.2 . 1 . . . . 38 SER C . 27061 1 180 . 1 1 38 38 SER CA C 13 60.149 0.25 . 1 . . . . 38 SER CA . 27061 1 181 . 1 1 38 38 SER CB C 13 66.0777 0.25 . 1 . . . . 38 SER CB . 27061 1 182 . 1 1 38 38 SER N N 15 112.60634 0.2 . 1 . . . . 38 SER N . 27061 1 183 . 1 1 39 39 LEU H H 1 7.98677 0.01 . 1 . . . . 39 LEU H . 27061 1 184 . 1 1 39 39 LEU C C 13 178.87975 0.2 . 1 . . . . 39 LEU C . 27061 1 185 . 1 1 39 39 LEU CA C 13 57.7455 0.25 . 1 . . . . 39 LEU CA . 27061 1 186 . 1 1 39 39 LEU CB C 13 41.2413 0.25 . 1 . . . . 39 LEU CB . 27061 1 187 . 1 1 39 39 LEU N N 15 124.49374 0.2 . 1 . . . . 39 LEU N . 27061 1 188 . 1 1 40 40 ASP H H 1 8.46829 0.01 . 1 . . . . 40 ASP H . 27061 1 189 . 1 1 40 40 ASP C C 13 179.5755 0.2 . 1 . . . . 40 ASP C . 27061 1 190 . 1 1 40 40 ASP CA C 13 57.3449 0.25 . 1 . . . . 40 ASP CA . 27061 1 191 . 1 1 40 40 ASP CB C 13 41.6419 0.25 . 1 . . . . 40 ASP CB . 27061 1 192 . 1 1 40 40 ASP N N 15 119.91734 0.2 . 1 . . . . 40 ASP N . 27061 1 193 . 1 1 41 41 THR H H 1 8.06251 0.01 . 1 . . . . 41 THR H . 27061 1 194 . 1 1 41 41 THR C C 13 175.91052 0.2 . 1 . . . . 41 THR C . 27061 1 195 . 1 1 41 41 THR CA C 13 66.959 0.25 . 1 . . . . 41 THR CA . 27061 1 196 . 1 1 41 41 THR CB C 13 68.0806 0.25 . 1 . . . . 41 THR CB . 27061 1 197 . 1 1 41 41 THR N N 15 112.06413 0.2 . 1 . . . . 41 THR N . 27061 1 198 . 1 1 42 42 VAL H H 1 7.22077 0.01 . 1 . . . . 42 VAL H . 27061 1 199 . 1 1 42 42 VAL C C 13 178.93427 0.2 . 1 . . . . 42 VAL C . 27061 1 200 . 1 1 42 42 VAL CA C 13 66.4783 0.25 . 1 . . . . 42 VAL CA . 27061 1 201 . 1 1 42 42 VAL CB C 13 32.1079 0.25 . 1 . . . . 42 VAL CB . 27061 1 202 . 1 1 42 42 VAL N N 15 122.08877 0.2 . 1 . . . . 42 VAL N . 27061 1 203 . 1 1 43 43 GLU H H 1 7.95582 0.01 . 1 . . . . 43 GLU H . 27061 1 204 . 1 1 43 43 GLU C C 13 179.46935 0.2 . 1 . . . . 43 GLU C . 27061 1 205 . 1 1 43 43 GLU CA C 13 59.7484 0.25 . 1 . . . . 43 GLU CA . 27061 1 206 . 1 1 43 43 GLU CB C 13 29.4641 0.25 . 1 . . . . 43 GLU CB . 27061 1 207 . 1 1 43 43 GLU N N 15 119.33765 0.2 . 1 . . . . 43 GLU N . 27061 1 208 . 1 1 44 44 LEU H H 1 8.41049 0.01 . 1 . . . . 44 LEU H . 27061 1 209 . 1 1 44 44 LEU C C 13 177.88571 0.2 . 1 . . . . 44 LEU C . 27061 1 210 . 1 1 44 44 LEU CA C 13 58.5467 0.25 . 1 . . . . 44 LEU CA . 27061 1 211 . 1 1 44 44 LEU CB C 13 41.9624 0.25 . 1 . . . . 44 LEU CB . 27061 1 212 . 1 1 44 44 LEU N N 15 121.87191 0.2 . 1 . . . . 44 LEU N . 27061 1 213 . 1 1 45 45 VAL H H 1 7.86826 0.01 . 1 . . . . 45 VAL H . 27061 1 214 . 1 1 45 45 VAL C C 13 177.98877 0.2 . 1 . . . . 45 VAL C . 27061 1 215 . 1 1 45 45 VAL CA C 13 68.0806 0.25 . 1 . . . . 45 VAL CA . 27061 1 216 . 1 1 45 45 VAL CB C 13 31.5471 0.25 . 1 . . . . 45 VAL CB . 27061 1 217 . 1 1 45 45 VAL N N 15 119.7396 0.2 . 1 . . . . 45 VAL N . 27061 1 218 . 1 1 46 46 MET H H 1 7.74173 0.01 . 1 . . . . 46 MET H . 27061 1 219 . 1 1 46 46 MET C C 13 178.77823 0.2 . 1 . . . . 46 MET C . 27061 1 220 . 1 1 46 46 MET CA C 13 59.5882 0.25 . 1 . . . . 46 MET CA . 27061 1 221 . 1 1 46 46 MET CB C 13 33.1495 0.25 . 1 . . . . 46 MET CB . 27061 1 222 . 1 1 46 46 MET N N 15 117.55676 0.2 . 1 . . . . 46 MET N . 27061 1 223 . 1 1 47 47 ALA H H 1 8.10528 0.01 . 1 . . . . 47 ALA H . 27061 1 224 . 1 1 47 47 ALA C C 13 181.48549 0.2 . 1 . . . . 47 ALA C . 27061 1 225 . 1 1 47 47 ALA CA C 13 55.1016 0.25 . 1 . . . . 47 ALA CA . 27061 1 226 . 1 1 47 47 ALA CB C 13 18.6482 0.25 . 1 . . . . 47 ALA CB . 27061 1 227 . 1 1 47 47 ALA N N 15 122.16274 0.2 . 1 . . . . 47 ALA N . 27061 1 228 . 1 1 48 48 LEU H H 1 8.36665 0.01 . 1 . . . . 48 LEU H . 27061 1 229 . 1 1 48 48 LEU C C 13 178.7581 0.2 . 1 . . . . 48 LEU C . 27061 1 230 . 1 1 48 48 LEU CA C 13 58.3864 0.25 . 1 . . . . 48 LEU CA . 27061 1 231 . 1 1 48 48 LEU CB C 13 42.4431 0.25 . 1 . . . . 48 LEU CB . 27061 1 232 . 1 1 48 48 LEU N N 15 120.43639 0.2 . 1 . . . . 48 LEU N . 27061 1 233 . 1 1 49 49 GLU H H 1 8.47 0.01 . 1 . . . . 49 GLU H . 27061 1 234 . 1 1 49 49 GLU C C 13 179.82968 0.2 . 1 . . . . 49 GLU C . 27061 1 235 . 1 1 49 49 GLU CA C 13 60.3092 0.25 . 1 . . . . 49 GLU CA . 27061 1 236 . 1 1 49 49 GLU CB C 13 30.5056 0.25 . 1 . . . . 49 GLU CB . 27061 1 237 . 1 1 49 49 GLU N N 15 119.23355 0.2 . 1 . . . . 49 GLU N . 27061 1 238 . 1 1 50 50 GLU H H 1 7.86608 0.01 . 1 . . . . 50 GLU H . 27061 1 239 . 1 1 50 50 GLU C C 13 179.14967 0.2 . 1 . . . . 50 GLU C . 27061 1 240 . 1 1 50 50 GLU CA C 13 58.7069 0.25 . 1 . . . . 50 GLU CA . 27061 1 241 . 1 1 50 50 GLU CB C 13 30.105 0.25 . 1 . . . . 50 GLU CB . 27061 1 242 . 1 1 50 50 GLU N N 15 116.92214 0.2 . 1 . . . . 50 GLU N . 27061 1 243 . 1 1 51 51 GLU H H 1 8.07358 0.01 . 1 . . . . 51 GLU H . 27061 1 244 . 1 1 51 51 GLU C C 13 177.3063 0.2 . 1 . . . . 51 GLU C . 27061 1 245 . 1 1 51 51 GLU CA C 13 58.3063 0.25 . 1 . . . . 51 GLU CA . 27061 1 246 . 1 1 51 51 GLU CB C 13 29.3038 0.25 . 1 . . . . 51 GLU CB . 27061 1 247 . 1 1 51 51 GLU N N 15 119.57864 0.2 . 1 . . . . 51 GLU N . 27061 1 248 . 1 1 52 52 PHE H H 1 7.77227 0.01 . 1 . . . . 52 PHE H . 27061 1 249 . 1 1 52 52 PHE C C 13 174.45061 0.2 . 1 . . . . 52 PHE C . 27061 1 250 . 1 1 52 52 PHE CA C 13 58.4665 0.25 . 1 . . . . 52 PHE CA . 27061 1 251 . 1 1 52 52 PHE CB C 13 38.6776 0.25 . 1 . . . . 52 PHE CB . 27061 1 252 . 1 1 52 52 PHE N N 15 111.67473 0.2 . 1 . . . . 52 PHE N . 27061 1 253 . 1 1 53 53 ASP H H 1 7.80556 0.01 . 1 . . . . 53 ASP H . 27061 1 254 . 1 1 53 53 ASP C C 13 174.38074 0.2 . 1 . . . . 53 ASP C . 27061 1 255 . 1 1 53 53 ASP CA C 13 55.1016 0.25 . 1 . . . . 53 ASP CA . 27061 1 256 . 1 1 53 53 ASP CB C 13 39.3986 0.25 . 1 . . . . 53 ASP CB . 27061 1 257 . 1 1 53 53 ASP N N 15 122.23228 0.2 . 1 . . . . 53 ASP N . 27061 1 258 . 1 1 54 54 THR H H 1 8.09634 0.01 . 1 . . . . 54 THR H . 27061 1 259 . 1 1 54 54 THR C C 13 171.72293 0.2 . 1 . . . . 54 THR C . 27061 1 260 . 1 1 54 54 THR CA C 13 59.9087 0.25 . 1 . . . . 54 THR CA . 27061 1 261 . 1 1 54 54 THR CB C 13 71.2052 0.25 . 1 . . . . 54 THR CB . 27061 1 262 . 1 1 54 54 THR N N 15 112.59074 0.2 . 1 . . . . 54 THR N . 27061 1 263 . 1 1 55 55 GLU H H 1 8.1319 0.01 . 1 . . . . 55 GLU H . 27061 1 264 . 1 1 55 55 GLU C C 13 175.9899 0.2 . 1 . . . . 55 GLU C . 27061 1 265 . 1 1 55 55 GLU CA C 13 55.2618 0.25 . 1 . . . . 55 GLU CA . 27061 1 266 . 1 1 55 55 GLU CB C 13 31.9477 0.25 . 1 . . . . 55 GLU CB . 27061 1 267 . 1 1 55 55 GLU N N 15 123.28177 0.2 . 1 . . . . 55 GLU N . 27061 1 268 . 1 1 56 56 ILE H H 1 10.20509 0.01 . 1 . . . . 56 ILE H . 27061 1 269 . 1 1 56 56 ILE CA C 13 59.0389 0.25 . 1 . . . . 56 ILE CA . 27061 1 270 . 1 1 56 56 ILE CB C 13 37.9768 0.25 . 1 . . . . 56 ILE CB . 27061 1 271 . 1 1 56 56 ILE N N 15 129.25111 0.2 . 1 . . . . 56 ILE N . 27061 1 272 . 1 1 57 57 PRO C C 13 177.65649 0.2 . 1 . . . . 57 PRO C . 27061 1 273 . 1 1 57 57 PRO CA C 13 62.9531 0.25 . 1 . . . . 57 PRO CA . 27061 1 274 . 1 1 57 57 PRO CB C 13 33.1495 0.25 . 1 . . . . 57 PRO CB . 27061 1 275 . 1 1 58 58 ASP H H 1 8.89733 0.01 . 1 . . . . 58 ASP H . 27061 1 276 . 1 1 58 58 ASP C C 13 177.89764 0.2 . 1 . . . . 58 ASP C . 27061 1 277 . 1 1 58 58 ASP CA C 13 58.4665 0.25 . 1 . . . . 58 ASP CA . 27061 1 278 . 1 1 58 58 ASP CB C 13 40.4401 0.25 . 1 . . . . 58 ASP CB . 27061 1 279 . 1 1 58 58 ASP N N 15 124.68319 0.2 . 1 . . . . 58 ASP N . 27061 1 280 . 1 1 59 59 GLU H H 1 9.39154 0.01 . 1 . . . . 59 GLU H . 27061 1 281 . 1 1 59 59 GLU C C 13 178.54958 0.2 . 1 . . . . 59 GLU C . 27061 1 282 . 1 1 59 59 GLU CA C 13 59.6683 0.25 . 1 . . . . 59 GLU CA . 27061 1 283 . 1 1 59 59 GLU CB C 13 29.0635 0.25 . 1 . . . . 59 GLU CB . 27061 1 284 . 1 1 59 59 GLU N N 15 116.85992 0.2 . 1 . . . . 59 GLU N . 27061 1 285 . 1 1 60 60 GLU H H 1 7.19514 0.01 . 1 . . . . 60 GLU H . 27061 1 286 . 1 1 60 60 GLU C C 13 179.12572 0.2 . 1 . . . . 60 GLU C . 27061 1 287 . 1 1 60 60 GLU CA C 13 57.2648 0.25 . 1 . . . . 60 GLU CA . 27061 1 288 . 1 1 60 60 GLU CB C 13 29.5442 0.25 . 1 . . . . 60 GLU CB . 27061 1 289 . 1 1 60 60 GLU N N 15 116.12708 0.2 . 1 . . . . 60 GLU N . 27061 1 290 . 1 1 61 61 ALA H H 1 8.48534 0.01 . 1 . . . . 61 ALA H . 27061 1 291 . 1 1 61 61 ALA C C 13 179.93437 0.2 . 1 . . . . 61 ALA C . 27061 1 292 . 1 1 61 61 ALA CA C 13 55.4221 0.25 . 1 . . . . 61 ALA CA . 27061 1 293 . 1 1 61 61 ALA CB C 13 18.7283 0.25 . 1 . . . . 61 ALA CB . 27061 1 294 . 1 1 61 61 ALA N N 15 123.81051 0.2 . 1 . . . . 61 ALA N . 27061 1 295 . 1 1 62 62 GLU H H 1 7.54535 0.01 . 1 . . . . 62 GLU H . 27061 1 296 . 1 1 62 62 GLU C C 13 176.89885 0.2 . 1 . . . . 62 GLU C . 27061 1 297 . 1 1 62 62 GLU CA C 13 58.3864 0.25 . 1 . . . . 62 GLU CA . 27061 1 298 . 1 1 62 62 GLU CB C 13 30.1851 0.25 . 1 . . . . 62 GLU CB . 27061 1 299 . 1 1 62 62 GLU N N 15 114.1524 0.2 . 1 . . . . 62 GLU N . 27061 1 300 . 1 1 63 63 LYS H H 1 7.09482 0.01 . 1 . . . . 63 LYS H . 27061 1 301 . 1 1 63 63 LYS C C 13 177.23305 0.2 . 1 . . . . 63 LYS C . 27061 1 302 . 1 1 63 63 LYS CA C 13 56.2233 0.25 . 1 . . . . 63 LYS CA . 27061 1 303 . 1 1 63 63 LYS CB C 13 33.0693 0.25 . 1 . . . . 63 LYS CB . 27061 1 304 . 1 1 63 63 LYS N N 15 114.17348 0.2 . 1 . . . . 63 LYS N . 27061 1 305 . 1 1 64 64 ILE H H 1 7.57389 0.01 . 1 . . . . 64 ILE H . 27061 1 306 . 1 1 64 64 ILE C C 13 174.3351 0.2 . 1 . . . . 64 ILE C . 27061 1 307 . 1 1 64 64 ILE CA C 13 61.3508 0.25 . 1 . . . . 64 ILE CA . 27061 1 308 . 1 1 64 64 ILE CB C 13 36.1138 0.25 . 1 . . . . 64 ILE CB . 27061 1 309 . 1 1 64 64 ILE N N 15 122.03043 0.2 . 1 . . . . 64 ILE N . 27061 1 310 . 1 1 65 65 THR H H 1 7.57935 0.01 . 1 . . . . 65 THR H . 27061 1 311 . 1 1 65 65 THR C C 13 175.10277 0.2 . 1 . . . . 65 THR C . 27061 1 312 . 1 1 65 65 THR CA C 13 61.4309 0.25 . 1 . . . . 65 THR CA . 27061 1 313 . 1 1 65 65 THR CB C 13 70.0836 0.25 . 1 . . . . 65 THR CB . 27061 1 314 . 1 1 65 65 THR N N 15 111.59851 0.2 . 1 . . . . 65 THR N . 27061 1 315 . 1 1 66 66 THR H H 1 7.00948 0.01 . 1 . . . . 66 THR H . 27061 1 316 . 1 1 66 66 THR C C 13 173.90695 0.2 . 1 . . . . 66 THR C . 27061 1 317 . 1 1 66 66 THR CA C 13 58.1461 0.25 . 1 . . . . 66 THR CA . 27061 1 318 . 1 1 66 66 THR CB C 13 74.3298 0.25 . 1 . . . . 66 THR CB . 27061 1 319 . 1 1 66 66 THR N N 15 110.74732 0.2 . 1 . . . . 66 THR N . 27061 1 320 . 1 1 67 67 VAL H H 1 8.05835 0.01 . 1 . . . . 67 VAL H . 27061 1 321 . 1 1 67 67 VAL C C 13 178.42548 0.2 . 1 . . . . 67 VAL C . 27061 1 322 . 1 1 67 67 VAL CA C 13 67.1192 0.25 . 1 . . . . 67 VAL CA . 27061 1 323 . 1 1 67 67 VAL CB C 13 31.3068 0.25 . 1 . . . . 67 VAL CB . 27061 1 324 . 1 1 67 67 VAL N N 15 121.12063 0.2 . 1 . . . . 67 VAL N . 27061 1 325 . 1 1 68 68 GLN H H 1 8.42216 0.01 . 1 . . . . 68 GLN H . 27061 1 326 . 1 1 68 68 GLN C C 13 176.86873 0.2 . 1 . . . . 68 GLN C . 27061 1 327 . 1 1 68 68 GLN CA C 13 58.3864 0.25 . 1 . . . . 68 GLN CA . 27061 1 328 . 1 1 68 68 GLN CB C 13 28.743 0.25 . 1 . . . . 68 GLN CB . 27061 1 329 . 1 1 68 68 GLN N N 15 117.6813 0.2 . 1 . . . . 68 GLN N . 27061 1 330 . 1 1 69 69 ALA H H 1 7.88223 0.01 . 1 . . . . 69 ALA H . 27061 1 331 . 1 1 69 69 ALA C C 13 180.98506 0.2 . 1 . . . . 69 ALA C . 27061 1 332 . 1 1 69 69 ALA CA C 13 55.1817 0.25 . 1 . . . . 69 ALA CA . 27061 1 333 . 1 1 69 69 ALA CB C 13 19.3693 0.25 . 1 . . . . 69 ALA CB . 27061 1 334 . 1 1 69 69 ALA N N 15 119.17819 0.2 . 1 . . . . 69 ALA N . 27061 1 335 . 1 1 70 70 ALA H H 1 7.81726 0.01 . 1 . . . . 70 ALA H . 27061 1 336 . 1 1 70 70 ALA C C 13 177.89932 0.2 . 1 . . . . 70 ALA C . 27061 1 337 . 1 1 70 70 ALA CA C 13 55.7425 0.25 . 1 . . . . 70 ALA CA . 27061 1 338 . 1 1 70 70 ALA CB C 13 18.0073 0.25 . 1 . . . . 70 ALA CB . 27061 1 339 . 1 1 70 70 ALA N N 15 121.37487 0.2 . 1 . . . . 70 ALA N . 27061 1 340 . 1 1 71 71 ILE H H 1 8.02251 0.01 . 1 . . . . 71 ILE H . 27061 1 341 . 1 1 71 71 ILE C C 13 177.53223 0.2 . 1 . . . . 71 ILE C . 27061 1 342 . 1 1 71 71 ILE CA C 13 66.4783 0.25 . 1 . . . . 71 ILE CA . 27061 1 343 . 1 1 71 71 ILE CB C 13 38.7577 0.25 . 1 . . . . 71 ILE CB . 27061 1 344 . 1 1 71 71 ILE N N 15 118.57736 0.2 . 1 . . . . 71 ILE N . 27061 1 345 . 1 1 72 72 ASP H H 1 9.17104 0.01 . 1 . . . . 72 ASP H . 27061 1 346 . 1 1 72 72 ASP C C 13 179.69888 0.2 . 1 . . . . 72 ASP C . 27061 1 347 . 1 1 72 72 ASP CA C 13 57.1847 0.25 . 1 . . . . 72 ASP CA . 27061 1 348 . 1 1 72 72 ASP CB C 13 40.1197 0.25 . 1 . . . . 72 ASP CB . 27061 1 349 . 1 1 72 72 ASP N N 15 118.65411 0.2 . 1 . . . . 72 ASP N . 27061 1 350 . 1 1 73 73 TYR H H 1 8.14551 0.01 . 1 . . . . 73 TYR H . 27061 1 351 . 1 1 73 73 TYR C C 13 179.06013 0.2 . 1 . . . . 73 TYR C . 27061 1 352 . 1 1 73 73 TYR CA C 13 63.0332 0.25 . 1 . . . . 73 TYR CA . 27061 1 353 . 1 1 73 73 TYR CB C 13 38.7577 0.25 . 1 . . . . 73 TYR CB . 27061 1 354 . 1 1 73 73 TYR N N 15 121.07901 0.2 . 1 . . . . 73 TYR N . 27061 1 355 . 1 1 74 74 ILE H H 1 8.091 0.01 . 1 . . . . 74 ILE H . 27061 1 356 . 1 1 74 74 ILE C C 13 179.15627 0.2 . 1 . . . . 74 ILE C . 27061 1 357 . 1 1 74 74 ILE CA C 13 62.873 0.25 . 1 . . . . 74 ILE CA . 27061 1 358 . 1 1 74 74 ILE CB C 13 35.2325 0.25 . 1 . . . . 74 ILE CB . 27061 1 359 . 1 1 74 74 ILE N N 15 120.67828 0.2 . 1 . . . . 74 ILE N . 27061 1 360 . 1 1 75 75 ASN H H 1 8.80655 0.01 . 1 . . . . 75 ASN H . 27061 1 361 . 1 1 75 75 ASN C C 13 177.82254 0.2 . 1 . . . . 75 ASN C . 27061 1 362 . 1 1 75 75 ASN CA C 13 56.2233 0.25 . 1 . . . . 75 ASN CA . 27061 1 363 . 1 1 75 75 ASN CB C 13 38.9179 0.25 . 1 . . . . 75 ASN CB . 27061 1 364 . 1 1 75 75 ASN N N 15 118.05426 0.2 . 1 . . . . 75 ASN N . 27061 1 365 . 1 1 76 76 GLY H H 1 7.72913 0.01 . 1 . . . . 76 GLY H . 27061 1 366 . 1 1 76 76 GLY C C 13 174.04451 0.2 . 1 . . . . 76 GLY C . 27061 1 367 . 1 1 76 76 GLY CA C 13 45.6478 0.25 . 1 . . . . 76 GLY CA . 27061 1 368 . 1 1 76 76 GLY N N 15 104.43993 0.2 . 1 . . . . 76 GLY N . 27061 1 369 . 1 1 77 77 HIS H H 1 7.54657 0.01 . 1 . . . . 77 HIS H . 27061 1 370 . 1 1 77 77 HIS C C 13 174.05385 0.2 . 1 . . . . 77 HIS C . 27061 1 371 . 1 1 77 77 HIS CA C 13 56.704 0.25 . 1 . . . . 77 HIS CA . 27061 1 372 . 1 1 77 77 HIS CB C 13 29.0635 0.25 . 1 . . . . 77 HIS CB . 27061 1 373 . 1 1 77 77 HIS N N 15 117.82688 0.2 . 1 . . . . 77 HIS N . 27061 1 374 . 1 1 78 78 GLN H H 1 7.80539 0.01 . 1 . . . . 78 GLN H . 27061 1 375 . 1 1 78 78 GLN C C 13 174.69299 0.2 . 1 . . . . 78 GLN C . 27061 1 376 . 1 1 78 78 GLN CA C 13 55.9028 0.25 . 1 . . . . 78 GLN CA . 27061 1 377 . 1 1 78 78 GLN CB C 13 30.2652 0.25 . 1 . . . . 78 GLN CB . 27061 1 378 . 1 1 78 78 GLN N N 15 120.2328 0.2 . 1 . . . . 78 GLN N . 27061 1 379 . 1 1 79 79 ALA H H 1 8.05019 0.01 . 1 . . . . 79 ALA H . 27061 1 380 . 1 1 79 79 ALA CA C 13 54.1605 0.25 . 1 . . . . 79 ALA CA . 27061 1 381 . 1 1 79 79 ALA CB C 13 20.5542 0.25 . 1 . . . . 79 ALA CB . 27061 1 382 . 1 1 79 79 ALA N N 15 130.92906 0.2 . 1 . . . . 79 ALA N . 27061 1 stop_ save_