data_27415 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27415 _Entry.Title ; Chemical shift assignments for TRAP, a MMP20 proteolysis product of murine amelogenin. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-03-05 _Entry.Accession_date 2018-03-05 _Entry.Last_release_date 2018-03-06 _Entry.Original_release_date 2018-03-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 Garry Buchko . W. . . 27415 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27415 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 162 27415 '15N chemical shifts' 42 27415 '1H chemical shifts' 150 27415 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 . . 2018-12-11 2018-03-05 update BMRB 'update entry citation' 27415 1 . . 2018-04-11 2018-03-05 original author 'original release' 27415 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27415 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29960917 _Citation.Full_citation . _Citation.Title ; Identification of major matrix metalloproteinase-20 proteolytic processing products of murine amelogenin and tyrosine-rich amelogenin peptide using a nuclear magnetic resonance spectroscopy based method ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Arch. Oral Biol.' _Citation.Journal_name_full 'Archives of oral biology' _Citation.Journal_volume 93 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1879-1506 _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 187 _Citation.Page_last 194 _Citation.Year 2018 _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 Garry Buchko G. W. . . 27415 1 2 Rajith 'Jayasinha Arachchige' R. . . . 27415 1 3 Jinhui Tao J. . . . 27415 1 4 Barbara Tarasevich B. J. . . 27415 1 5 Wendy Shaw W. J. . . 27415 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'amelogenesis imperfecta' 27415 1 biomineralization 27415 1 enamel 27415 1 nanospheres 27415 1 proteolysis 27415 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27415 _Assembly.ID 1 _Assembly.Name TRAP _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 . _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 TRAP 1 $TRAP A . yes native no no . . . 27415 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TRAP _Entity.Sf_category entity _Entity.Sf_framecode TRAP _Entity.Entry_ID 27415 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TRAP _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 ; GPGSMPLPPHPGSPGYINLS YEVLTPLKWYQSMIRQPYPS YGYEPMGGW ; _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 49 _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 . 27415 1 2 . PRO . 27415 1 3 . GLY . 27415 1 4 . SER . 27415 1 5 . MET . 27415 1 6 . PRO . 27415 1 7 . LEU . 27415 1 8 . PRO . 27415 1 9 . PRO . 27415 1 10 . HIS . 27415 1 11 . PRO . 27415 1 12 . GLY . 27415 1 13 . SER . 27415 1 14 . PRO . 27415 1 15 . GLY . 27415 1 16 . TYR . 27415 1 17 . ILE . 27415 1 18 . ASN . 27415 1 19 . LEU . 27415 1 20 . SER . 27415 1 21 . TYR . 27415 1 22 . GLU . 27415 1 23 . VAL . 27415 1 24 . LEU . 27415 1 25 . THR . 27415 1 26 . PRO . 27415 1 27 . LEU . 27415 1 28 . LYS . 27415 1 29 . TRP . 27415 1 30 . TYR . 27415 1 31 . GLN . 27415 1 32 . SER . 27415 1 33 . MET . 27415 1 34 . ILE . 27415 1 35 . ARG . 27415 1 36 . GLN . 27415 1 37 . PRO . 27415 1 38 . TYR . 27415 1 39 . PRO . 27415 1 40 . SER . 27415 1 41 . TYR . 27415 1 42 . GLY . 27415 1 43 . TYR . 27415 1 44 . GLU . 27415 1 45 . PRO . 27415 1 46 . MET . 27415 1 47 . GLY . 27415 1 48 . GLY . 27415 1 49 . TRP . 27415 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 27415 1 . PRO 2 2 27415 1 . GLY 3 3 27415 1 . SER 4 4 27415 1 . MET 5 5 27415 1 . PRO 6 6 27415 1 . LEU 7 7 27415 1 . PRO 8 8 27415 1 . PRO 9 9 27415 1 . HIS 10 10 27415 1 . PRO 11 11 27415 1 . GLY 12 12 27415 1 . SER 13 13 27415 1 . PRO 14 14 27415 1 . GLY 15 15 27415 1 . TYR 16 16 27415 1 . ILE 17 17 27415 1 . ASN 18 18 27415 1 . LEU 19 19 27415 1 . SER 20 20 27415 1 . TYR 21 21 27415 1 . GLU 22 22 27415 1 . VAL 23 23 27415 1 . LEU 24 24 27415 1 . THR 25 25 27415 1 . PRO 26 26 27415 1 . LEU 27 27 27415 1 . LYS 28 28 27415 1 . TRP 29 29 27415 1 . TYR 30 30 27415 1 . GLN 31 31 27415 1 . SER 32 32 27415 1 . MET 33 33 27415 1 . ILE 34 34 27415 1 . ARG 35 35 27415 1 . GLN 36 36 27415 1 . PRO 37 37 27415 1 . TYR 38 38 27415 1 . PRO 39 39 27415 1 . SER 40 40 27415 1 . TYR 41 41 27415 1 . GLY 42 42 27415 1 . TYR 43 43 27415 1 . GLU 44 44 27415 1 . PRO 45 45 27415 1 . MET 46 46 27415 1 . GLY 47 47 27415 1 . GLY 48 48 27415 1 . TRP 49 49 27415 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 27415 _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 $TRAP . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 27415 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 27415 _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 $TRAP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pJexpress414 . . . 27415 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27415 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 TRAP '[U-99% 13C; U-99% 15N]' . . 1 $TRAP . . 0.5 . . mM . . . . 27415 1 2 'acetic acid' 'natural abundance' . . . . . . 2 . . % . . . . 27415 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 27415 _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' 0 . M 27415 1 pH 2.8 . pH 27415 1 pressure 1 . atm 27415 1 temperature 273 . K 27415 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 27415 _Software.ID 1 _Software.Type . _Software.Name Felix _Software.Version 2007 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 27415 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27415 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27415 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version 1.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27415 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27415 2 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 27415 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27415 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model VXRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 27415 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model VXRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 27415 _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 . 750 . . . 27415 1 2 spectrometer_2 Agilent VXRS . 600 . . . 27415 1 3 spectrometer_3 Agilent VXRS . 750 . . . 27415 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 27415 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27415 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27415 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27415 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 27415 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27415 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27415 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27415 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 27415 _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 . . . . . 27415 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27415 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27415 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 27415 _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 '2D 1H-15N HSQC' . . . 27415 1 2 '2D 1H-13C HSQC aliphatic' . . . 27415 1 5 '3D 1H-15N TOCSY' . . . 27415 1 7 '3D C(CO)NH' . . . 27415 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.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 PRO C C 13 177.2 0.2 . 1 . . . . . 2 PRO C . 27415 1 2 . 1 1 2 2 PRO CA C 13 63.5 0.2 . 1 . . . . . 2 PRO CA . 27415 1 3 . 1 1 2 2 PRO CB C 13 32.2 0.2 . 1 . . . . . 2 PRO CB . 27415 1 4 . 1 1 2 2 PRO CG C 13 27.0 0.2 . 1 . . . . . 2 PRO CG . 27415 1 5 . 1 1 2 2 PRO CD C 13 49.6 0.2 . 1 . . . . . 2 PRO CD . 27415 1 6 . 1 1 3 3 GLY H H 1 8.62 0.02 . 1 . . . . . 3 GLY H . 27415 1 7 . 1 1 3 3 GLY HA2 H 1 4.02 0.02 . 2 . . . . . 3 GLY HA2 . 27415 1 8 . 1 1 3 3 GLY HA3 H 1 4.02 0.02 . 2 . . . . . 3 GLY HA3 . 27415 1 9 . 1 1 3 3 GLY C C 13 174.0 0.2 . 1 . . . . . 3 GLY C . 27415 1 10 . 1 1 3 3 GLY CA C 13 45.2 0.2 . 1 . . . . . 3 GLY CA . 27415 1 11 . 1 1 3 3 GLY N N 15 109.8 0.2 . 1 . . . . . 3 GLY N . 27415 1 12 . 1 1 4 4 SER H H 1 8.16 0.02 . 1 . . . . . 4 SER H . 27415 1 13 . 1 1 4 4 SER CA C 13 58.2 0.2 . 1 . . . . . 4 SER CA . 27415 1 14 . 1 1 4 4 SER CB C 13 64.1 0.2 . 1 . . . . . 4 SER CB . 27415 1 15 . 1 1 4 4 SER N N 15 115.4 0.2 . 1 . . . . . 4 SER N . 27415 1 16 . 1 1 5 5 MET H H 1 8.38 0.02 . 1 . . . . . 5 MET H . 27415 1 17 . 1 1 5 5 MET CA C 13 53.3 0.2 . 1 . . . . . 5 MET CA . 27415 1 18 . 1 1 5 5 MET CB C 13 32.6 0.2 . 1 . . . . . 5 MET CB . 27415 1 19 . 1 1 5 5 MET N N 15 123.3 0.2 . 1 . . . . . 5 MET N . 27415 1 20 . 1 1 6 6 PRO HA H 1 4.41 0.02 . 1 . . . . . 6 PRO HA . 27415 1 21 . 1 1 6 6 PRO HD2 H 1 3.82 0.02 . 2 . . . . . 6 PRO HD2 . 27415 1 22 . 1 1 6 6 PRO HD3 H 1 3.66 0.02 . 2 . . . . . 6 PRO HD3 . 27415 1 23 . 1 1 6 6 PRO C C 13 176.3 0.2 . 1 . . . . . 6 PRO C . 27415 1 24 . 1 1 6 6 PRO CA C 13 63.1 0.2 . 1 . . . . . 6 PRO CA . 27415 1 25 . 1 1 6 6 PRO CB C 13 32.0 0.2 . 1 . . . . . 6 PRO CB . 27415 1 26 . 1 1 6 6 PRO CG C 13 27.3 0.2 . 1 . . . . . 6 PRO CG . 27415 1 27 . 1 1 6 6 PRO CD C 13 50.7 0.2 . 1 . . . . . 6 PRO CD . 27415 1 28 . 1 1 7 7 LEU H H 1 8.32 0.02 . 1 . . . . . 7 LEU H . 27415 1 29 . 1 1 7 7 LEU HA H 1 4.61 0.02 . 1 . . . . . 7 LEU HA . 27415 1 30 . 1 1 7 7 LEU CA C 13 52.9 0.2 . 1 . . . . . 7 LEU CA . 27415 1 31 . 1 1 7 7 LEU CB C 13 41.7 0.2 . 1 . . . . . 7 LEU CB . 27415 1 32 . 1 1 7 7 LEU N N 15 123.7 0.2 . 1 . . . . . 7 LEU N . 27415 1 33 . 1 1 8 8 PRO C C 13 176.1 0.2 . 1 . . . . . 8 PRO C . 27415 1 34 . 1 1 9 9 PRO HA H 1 4.36 0.02 . 1 . . . . . 9 PRO HA . 27415 1 35 . 1 1 9 9 PRO HD2 H 1 3.77 0.02 . 2 . . . . . 9 PRO HD2 . 27415 1 36 . 1 1 9 9 PRO HD3 H 1 3.58 0.02 . 2 . . . . . 9 PRO HD3 . 27415 1 37 . 1 1 9 9 PRO CA C 13 62.9 0.2 . 1 . . . . . 9 PRO CA . 27415 1 38 . 1 1 9 9 PRO CB C 13 32.2 0.2 . 1 . . . . . 9 PRO CB . 27415 1 39 . 1 1 9 9 PRO CG C 13 27.3 0.2 . 1 . . . . . 9 PRO CG . 27415 1 40 . 1 1 9 9 PRO CD C 13 50.4 0.2 . 1 . . . . . 9 PRO CD . 27415 1 41 . 1 1 10 10 HIS H H 1 8.37 0.02 . 1 . . . . . 10 HIS H . 27415 1 42 . 1 1 10 10 HIS HA H 1 4.92 0.02 . 1 . . . . . 10 HIS HA . 27415 1 43 . 1 1 10 10 HIS HB2 H 1 3.39 0.02 . 2 . . . . . 10 HIS HB2 . 27415 1 44 . 1 1 10 10 HIS HB3 H 1 3.35 0.02 . 2 . . . . . 10 HIS HB3 . 27415 1 45 . 1 1 10 10 HIS CA C 13 53.0 0.2 . 1 . . . . . 10 HIS CA . 27415 1 46 . 1 1 10 10 HIS CB C 13 28.5 0.2 . 1 . . . . . 10 HIS CB . 27415 1 47 . 1 1 10 10 HIS N N 15 118.3 0.2 . 1 . . . . . 10 HIS N . 27415 1 48 . 1 1 11 11 PRO HA H 1 3.97 0.02 . 1 . . . . . 11 PRO HA . 27415 1 49 . 1 1 11 11 PRO HD2 H 1 3.66 0.02 . 2 . . . . . 11 PRO HD2 . 27415 1 50 . 1 1 11 11 PRO HD3 H 1 3.46 0.02 . 2 . . . . . 11 PRO HD3 . 27415 1 51 . 1 1 11 11 PRO C C 13 177.2 0.2 . 1 . . . . . 11 PRO C . 27415 1 52 . 1 1 11 11 PRO CA C 13 63.8 0.2 . 1 . . . . . 11 PRO CA . 27415 1 53 . 1 1 11 11 PRO CB C 13 31.8 0.2 . 1 . . . . . 11 PRO CB . 27415 1 54 . 1 1 11 11 PRO CG C 13 27.4 0.2 . 1 . . . . . 11 PRO CG . 27415 1 55 . 1 1 11 11 PRO CD C 13 50.5 0.2 . 1 . . . . . 11 PRO CD . 27415 1 56 . 1 1 12 12 GLY H H 1 8.44 0.02 . 1 . . . . . 12 GLY H . 27415 1 57 . 1 1 12 12 GLY HA2 H 1 4.08 0.02 . 2 . . . . . 12 GLY HA2 . 27415 1 58 . 1 1 12 12 GLY HA3 H 1 3.87 0.02 . 2 . . . . . 12 GLY HA3 . 27415 1 59 . 1 1 12 12 GLY C C 13 174.0 0.2 . 1 . . . . . 12 GLY C . 27415 1 60 . 1 1 12 12 GLY CA C 13 45.2 0.2 . 1 . . . . . 12 GLY CA . 27415 1 61 . 1 1 12 12 GLY N N 15 110.8 0.2 . 1 . . . . . 12 GLY N . 27415 1 62 . 1 1 13 13 SER H H 1 8.12 0.02 . 1 . . . . . 13 SER H . 27415 1 63 . 1 1 13 13 SER CA C 13 56.7 0.2 . 1 . . . . . 13 SER CA . 27415 1 64 . 1 1 13 13 SER CB C 13 63.3 0.2 . 1 . . . . . 13 SER CB . 27415 1 65 . 1 1 13 13 SER N N 15 116.9 0.2 . 1 . . . . . 13 SER N . 27415 1 66 . 1 1 14 14 PRO HA H 1 4.40 0.02 . 1 . . . . . 14 PRO HA . 27415 1 67 . 1 1 14 14 PRO HD2 H 1 3.85 0.02 . 2 . . . . . 14 PRO HD2 . 27415 1 68 . 1 1 14 14 PRO HD3 H 1 3.71 0.02 . 2 . . . . . 14 PRO HD3 . 27415 1 69 . 1 1 14 14 PRO C C 13 177.3 0.2 . 1 . . . . . 14 PRO C . 27415 1 70 . 1 1 14 14 PRO CA C 13 64.0 0.2 . 1 . . . . . 14 PRO CA . 27415 1 71 . 1 1 14 14 PRO CB C 13 31.9 0.2 . 1 . . . . . 14 PRO CB . 27415 1 72 . 1 1 14 14 PRO CG C 13 27.4 0.2 . 1 . . . . . 14 PRO CG . 27415 1 73 . 1 1 14 14 PRO CD C 13 50.7 0.2 . 1 . . . . . 14 PRO CD . 27415 1 74 . 1 1 15 15 GLY H H 1 8.48 0.02 . 1 . . . . . 15 GLY H . 27415 1 75 . 1 1 15 15 GLY HA2 H 1 3.92 0.02 . 2 . . . . . 15 GLY HA2 . 27415 1 76 . 1 1 15 15 GLY HA3 H 1 3.84 0.02 . 2 . . . . . 15 GLY HA3 . 27415 1 77 . 1 1 15 15 GLY C C 13 173.8 0.2 . 1 . . . . . 15 GLY C . 27415 1 78 . 1 1 15 15 GLY CA C 13 45.2 0.2 . 1 . . . . . 15 GLY CA . 27415 1 79 . 1 1 15 15 GLY N N 15 109.1 0.2 . 1 . . . . . 15 GLY N . 27415 1 80 . 1 1 16 16 TYR H H 1 7.85 0.02 . 1 . . . . . 16 TYR H . 27415 1 81 . 1 1 16 16 TYR HA H 1 4.42 0.02 . 1 . . . . . 16 TYR HA . 27415 1 82 . 1 1 16 16 TYR HB2 H 1 2.97 0.02 . 2 . . . . . 16 TYR HB2 . 27415 1 83 . 1 1 16 16 TYR HB3 H 1 2.97 0.02 . 2 . . . . . 16 TYR HB3 . 27415 1 84 . 1 1 16 16 TYR C C 13 175.4 0.2 . 1 . . . . . 16 TYR C . 27415 1 85 . 1 1 16 16 TYR CA C 13 58.4 0.2 . 1 . . . . . 16 TYR CA . 27415 1 86 . 1 1 16 16 TYR CB C 13 38.9 0.2 . 1 . . . . . 16 TYR CB . 27415 1 87 . 1 1 16 16 TYR N N 15 120.1 0.2 . 1 . . . . . 16 TYR N . 27415 1 88 . 1 1 17 17 ILE H H 1 7.84 0.02 . 1 . . . . . 17 ILE H . 27415 1 89 . 1 1 17 17 ILE HA H 1 4.03 0.02 . 1 . . . . . 17 ILE HA . 27415 1 90 . 1 1 17 17 ILE HG21 H 1 1.36 0.02 . 1 . . . . . 17 ILE MG . 27415 1 91 . 1 1 17 17 ILE HG22 H 1 1.36 0.02 . 1 . . . . . 17 ILE MG . 27415 1 92 . 1 1 17 17 ILE HG23 H 1 1.36 0.02 . 1 . . . . . 17 ILE MG . 27415 1 93 . 1 1 17 17 ILE HD11 H 1 1.36 0.02 . 1 . . . . . 17 ILE MD . 27415 1 94 . 1 1 17 17 ILE HD12 H 1 1.36 0.02 . 1 . . . . . 17 ILE MD . 27415 1 95 . 1 1 17 17 ILE HD13 H 1 1.36 0.02 . 1 . . . . . 17 ILE MD . 27415 1 96 . 1 1 17 17 ILE C C 13 174.8 0.2 . 1 . . . . . 17 ILE C . 27415 1 97 . 1 1 17 17 ILE CA C 13 60.8 0.2 . 1 . . . . . 17 ILE CA . 27415 1 98 . 1 1 17 17 ILE CB C 13 39.1 0.2 . 1 . . . . . 17 ILE CB . 27415 1 99 . 1 1 17 17 ILE CG1 C 13 27.1 0.2 . 1 . . . . . 17 ILE CG1 . 27415 1 100 . 1 1 17 17 ILE CG2 C 13 17.3 0.2 . 1 . . . . . 17 ILE CG2 . 27415 1 101 . 1 1 17 17 ILE CD1 C 13 12.8 0.2 . 1 . . . . . 17 ILE CD1 . 27415 1 102 . 1 1 17 17 ILE N N 15 123.8 0.2 . 1 . . . . . 17 ILE N . 27415 1 103 . 1 1 18 18 ASN H H 1 8.31 0.02 . 1 . . . . . 18 ASN H . 27415 1 104 . 1 1 18 18 ASN HA H 1 4.61 0.02 . 1 . . . . . 18 ASN HA . 27415 1 105 . 1 1 18 18 ASN HB2 H 1 2.85 0.02 . 2 . . . . . 18 ASN HB2 . 27415 1 106 . 1 1 18 18 ASN HB3 H 1 2.70 0.02 . 2 . . . . . 18 ASN HB3 . 27415 1 107 . 1 1 18 18 ASN HD21 H 1 7.59 0.02 . 2 . . . . . 18 ASN HD21 . 27415 1 108 . 1 1 18 18 ASN HD22 H 1 6.95 0.02 . 2 . . . . . 18 ASN HD22 . 27415 1 109 . 1 1 18 18 ASN C C 13 175.1 0.2 . 1 . . . . . 18 ASN C . 27415 1 110 . 1 1 18 18 ASN CA C 13 53.1 0.2 . 1 . . . . . 18 ASN CA . 27415 1 111 . 1 1 18 18 ASN CB C 13 38.7 0.2 . 1 . . . . . 18 ASN CB . 27415 1 112 . 1 1 18 18 ASN N N 15 122.5 0.2 . 1 . . . . . 18 ASN N . 27415 1 113 . 1 1 18 18 ASN ND2 N 15 112.4 0.2 . 1 . . . . . 18 ASN ND2 . 27415 1 114 . 1 1 19 19 LEU H H 1 8.24 0.02 . 1 . . . . . 19 LEU H . 27415 1 115 . 1 1 19 19 LEU HA H 1 4.30 0.02 . 1 . . . . . 19 LEU HA . 27415 1 116 . 1 1 19 19 LEU HB2 H 1 2.04 0.02 . 2 . . . . . 19 LEU HB2 . 27415 1 117 . 1 1 19 19 LEU HB3 H 1 1.96 0.02 . 2 . . . . . 19 LEU HB3 . 27415 1 118 . 1 1 19 19 LEU C C 13 177.4 0.2 . 1 . . . . . 19 LEU C . 27415 1 119 . 1 1 19 19 LEU CA C 13 55.4 0.2 . 1 . . . . . 19 LEU CA . 27415 1 120 . 1 1 19 19 LEU CB C 13 42.2 0.2 . 1 . . . . . 19 LEU CB . 27415 1 121 . 1 1 19 19 LEU CG C 13 26.8 0.2 . 1 . . . . . 19 LEU CG . 27415 1 122 . 1 1 19 19 LEU CD1 C 13 25.1 0.2 . 2 . . . . . 19 LEU CD1 . 27415 1 123 . 1 1 19 19 LEU CD2 C 13 23.1 0.2 . 2 . . . . . 19 LEU CD2 . 27415 1 124 . 1 1 19 19 LEU N N 15 123.8 0.2 . 1 . . . . . 19 LEU N . 27415 1 125 . 1 1 20 20 SER H H 1 8.20 0.02 . 1 . . . . . 20 SER H . 27415 1 126 . 1 1 20 20 SER HA H 1 4.34 0.02 . 1 . . . . . 20 SER HA . 27415 1 127 . 1 1 20 20 SER HB2 H 1 3.82 0.02 . 2 . . . . . 20 SER HB2 . 27415 1 128 . 1 1 20 20 SER HB3 H 1 3.82 0.02 . 2 . . . . . 20 SER HB3 . 27415 1 129 . 1 1 20 20 SER CA C 13 63.5 0.2 . 1 . . . . . 20 SER CA . 27415 1 130 . 1 1 20 20 SER CB C 13 59.0 0.2 . 1 . . . . . 20 SER CB . 27415 1 131 . 1 1 20 20 SER N N 15 115.5 0.2 . 1 . . . . . 20 SER N . 27415 1 132 . 1 1 21 21 TYR H H 1 8.86 0.02 . 1 . . . . . 21 TYR H . 27415 1 133 . 1 1 21 21 TYR C C 13 175.5 0.2 . 1 . . . . . 21 TYR C . 27415 1 134 . 1 1 21 21 TYR CA C 13 57.9 0.2 . 1 . . . . . 21 TYR CA . 27415 1 135 . 1 1 21 21 TYR CB C 13 38.6 0.2 . 1 . . . . . 21 TYR CB . 27415 1 136 . 1 1 21 21 TYR N N 15 120.7 0.2 . 1 . . . . . 21 TYR N . 27415 1 137 . 1 1 22 22 GLU H H 1 8.00 0.02 . 1 . . . . . 22 GLU H . 27415 1 138 . 1 1 22 22 GLU HA H 1 4.29 0.02 . 1 . . . . . 22 GLU HA . 27415 1 139 . 1 1 22 22 GLU C C 13 175.3 0.2 . 1 . . . . . 22 GLU C . 27415 1 140 . 1 1 22 22 GLU CA C 13 55.8 0.2 . 1 . . . . . 22 GLU CA . 27415 1 141 . 1 1 22 22 GLU CB C 13 29.1 0.2 . 1 . . . . . 22 GLU CB . 27415 1 142 . 1 1 22 22 GLU CG C 13 32.8 0.2 . 1 . . . . . 22 GLU CG . 27415 1 143 . 1 1 22 22 GLU N N 15 120.9 0.2 . 1 . . . . . 22 GLU N . 27415 1 144 . 1 1 23 23 VAL H H 1 7.98 0.02 . 1 . . . . . 23 VAL H . 27415 1 145 . 1 1 23 23 VAL HA H 1 4.06 0.02 . 1 . . . . . 23 VAL HA . 27415 1 146 . 1 1 23 23 VAL HB H 1 2.05 0.02 . 1 . . . . . 23 VAL HB . 27415 1 147 . 1 1 23 23 VAL HG11 H 1 0.92 0.02 . 2 . . . . . 23 VAL MG1 . 27415 1 148 . 1 1 23 23 VAL HG12 H 1 0.92 0.02 . 2 . . . . . 23 VAL MG1 . 27415 1 149 . 1 1 23 23 VAL HG13 H 1 0.92 0.02 . 2 . . . . . 23 VAL MG1 . 27415 1 150 . 1 1 23 23 VAL HG21 H 1 0.92 0.02 . 2 . . . . . 23 VAL MG2 . 27415 1 151 . 1 1 23 23 VAL HG22 H 1 0.92 0.02 . 2 . . . . . 23 VAL MG2 . 27415 1 152 . 1 1 23 23 VAL HG23 H 1 0.92 0.02 . 2 . . . . . 23 VAL MG2 . 27415 1 153 . 1 1 23 23 VAL C C 13 175.8 0.2 . 1 . . . . . 23 VAL C . 27415 1 154 . 1 1 23 23 VAL CA C 13 62.5 0.2 . 1 . . . . . 23 VAL CA . 27415 1 155 . 1 1 23 23 VAL CB C 13 32.7 0.2 . 1 . . . . . 23 VAL CB . 27415 1 156 . 1 1 23 23 VAL CG1 C 13 20.9 0.2 . 2 . . . . . 23 VAL CG1 . 27415 1 157 . 1 1 23 23 VAL CG2 C 13 20.9 0.2 . 2 . . . . . 23 VAL CG2 . 27415 1 158 . 1 1 23 23 VAL N N 15 120.5 0.2 . 1 . . . . . 23 VAL N . 27415 1 159 . 1 1 24 24 LEU H H 1 8.24 0.02 . 1 . . . . . 24 LEU H . 27415 1 160 . 1 1 24 24 LEU HA H 1 4.42 0.02 . 1 . . . . . 24 LEU HA . 27415 1 161 . 1 1 24 24 LEU HB2 H 1 1.62 0.02 . 2 . . . . . 24 LEU HB2 . 27415 1 162 . 1 1 24 24 LEU HB3 H 1 1.62 0.02 . 2 . . . . . 24 LEU HB3 . 27415 1 163 . 1 1 24 24 LEU C C 13 176.8 0.2 . 1 . . . . . 24 LEU C . 27415 1 164 . 1 1 24 24 LEU CA C 13 55.0 0.2 . 1 . . . . . 24 LEU CA . 27415 1 165 . 1 1 24 24 LEU CB C 13 42.5 0.2 . 1 . . . . . 24 LEU CB . 27415 1 166 . 1 1 24 24 LEU CG C 13 27.0 0.2 . 1 . . . . . 24 LEU CG . 27415 1 167 . 1 1 24 24 LEU CD1 C 13 24.9 0.2 . 2 . . . . . 24 LEU CD1 . 27415 1 168 . 1 1 24 24 LEU CD2 C 13 23.3 0.2 . 2 . . . . . 24 LEU CD2 . 27415 1 169 . 1 1 24 24 LEU N N 15 125.2 0.2 . 1 . . . . . 24 LEU N . 27415 1 170 . 1 1 25 25 THR H H 1 7.98 0.02 . 1 . . . . . 25 THR H . 27415 1 171 . 1 1 25 25 THR HA H 1 4.57 0.02 . 1 . . . . . 25 THR HA . 27415 1 172 . 1 1 25 25 THR HB H 1 4.27 0.02 . 1 . . . . . 25 THR HB . 27415 1 173 . 1 1 25 25 THR HG21 H 1 1.71 0.02 . 1 . . . . . 25 THR MG . 27415 1 174 . 1 1 25 25 THR HG22 H 1 1.71 0.02 . 1 . . . . . 25 THR MG . 27415 1 175 . 1 1 25 25 THR HG23 H 1 1.71 0.02 . 1 . . . . . 25 THR MG . 27415 1 176 . 1 1 25 25 THR CA C 13 59.8 0.2 . 1 . . . . . 25 THR CA . 27415 1 177 . 1 1 25 25 THR CB C 13 69.6 0.2 . 1 . . . . . 25 THR CB . 27415 1 178 . 1 1 25 25 THR CG2 C 13 21.4 0.2 . 1 . . . . . 25 THR CG2 . 27415 1 179 . 1 1 25 25 THR N N 15 116.4 0.2 . 1 . . . . . 25 THR N . 27415 1 180 . 1 1 26 26 PRO HA H 1 4.31 0.02 . 1 . . . . . 26 PRO HA . 27415 1 181 . 1 1 26 26 PRO HD2 H 1 3.74 0.02 . 2 . . . . . 26 PRO HD2 . 27415 1 182 . 1 1 26 26 PRO HD3 H 1 3.62 0.02 . 2 . . . . . 26 PRO HD3 . 27415 1 183 . 1 1 26 26 PRO C C 13 177.0 0.2 . 1 . . . . . 26 PRO C . 27415 1 184 . 1 1 26 26 PRO CA C 13 63.8 0.2 . 1 . . . . . 26 PRO CA . 27415 1 185 . 1 1 26 26 PRO CB C 13 32.0 0.2 . 1 . . . . . 26 PRO CB . 27415 1 186 . 1 1 26 26 PRO CG C 13 27.4 0.2 . 1 . . . . . 26 PRO CG . 27415 1 187 . 1 1 26 26 PRO CD C 13 50.9 0.2 . 1 . . . . . 26 PRO CD . 27415 1 188 . 1 1 27 27 LEU H H 1 8.15 0.02 . 1 . . . . . 27 LEU H . 27415 1 189 . 1 1 27 27 LEU HA H 1 4.25 0.02 . 1 . . . . . 27 LEU HA . 27415 1 190 . 1 1 27 27 LEU HB2 H 1 2.08 0.02 . 2 . . . . . 27 LEU HB2 . 27415 1 191 . 1 1 27 27 LEU HB3 H 1 1.99 0.02 . 2 . . . . . 27 LEU HB3 . 27415 1 192 . 1 1 27 27 LEU HG H 1 1.48 0.02 . 1 . . . . . 27 LEU HG . 27415 1 193 . 1 1 27 27 LEU C C 13 177.7 0.2 . 1 . . . . . 27 LEU C . 27415 1 194 . 1 1 27 27 LEU CA C 13 55.9 0.2 . 1 . . . . . 27 LEU CA . 27415 1 195 . 1 1 27 27 LEU CB C 13 42.2 0.2 . 1 . . . . . 27 LEU CB . 27415 1 196 . 1 1 27 27 LEU CG C 13 27.1 0.2 . 1 . . . . . 27 LEU CG . 27415 1 197 . 1 1 27 27 LEU CD1 C 13 24.7 0.2 . 2 . . . . . 27 LEU CD1 . 27415 1 198 . 1 1 27 27 LEU CD2 C 13 23.6 0.2 . 2 . . . . . 27 LEU CD2 . 27415 1 199 . 1 1 27 27 LEU N N 15 121.1 0.2 . 1 . . . . . 27 LEU N . 27415 1 200 . 1 1 28 28 LYS H H 1 8.09 0.02 . 1 . . . . . 28 LYS H . 27415 1 201 . 1 1 28 28 LYS HA H 1 4.21 0.02 . 1 . . . . . 28 LYS HA . 27415 1 202 . 1 1 28 28 LYS HE2 H 1 3.18 0.02 . 2 . . . . . 28 LYS HE2 . 27415 1 203 . 1 1 28 28 LYS HE3 H 1 3.18 0.02 . 2 . . . . . 28 LYS HE3 . 27415 1 204 . 1 1 28 28 LYS C C 13 176.9 0.2 . 1 . . . . . 28 LYS C . 27415 1 205 . 1 1 28 28 LYS CA C 13 56.8 0.2 . 1 . . . . . 28 LYS CA . 27415 1 206 . 1 1 28 28 LYS CB C 13 32.8 0.2 . 1 . . . . . 28 LYS CB . 27415 1 207 . 1 1 28 28 LYS CG C 13 24.8 0.2 . 1 . . . . . 28 LYS CG . 27415 1 208 . 1 1 28 28 LYS CD C 13 29.0 0.2 . 1 . . . . . 28 LYS CD . 27415 1 209 . 1 1 28 28 LYS CE C 13 42.1 0.2 . 1 . . . . . 28 LYS CE . 27415 1 210 . 1 1 28 28 LYS N N 15 120.3 0.2 . 1 . . . . . 28 LYS N . 27415 1 211 . 1 1 29 29 TRP H H 1 8.08 0.02 . 1 . . . . . 29 TRP H . 27415 1 212 . 1 1 29 29 TRP HD1 H 1 7.13 0.02 . 1 . . . . . 29 TRP HD1 . 27415 1 213 . 1 1 29 29 TRP HE1 H 1 10.1 0.02 . 1 . . . . . 29 TRP HE1 . 27415 1 214 . 1 1 29 29 TRP C C 13 176.2 0.2 . 1 . . . . . 29 TRP C . 27415 1 215 . 1 1 29 29 TRP CA C 13 58.5 0.2 . 1 . . . . . 29 TRP CA . 27415 1 216 . 1 1 29 29 TRP CB C 13 29.5 0.2 . 1 . . . . . 29 TRP CB . 27415 1 217 . 1 1 29 29 TRP N N 15 121.1 0.2 . 1 . . . . . 29 TRP N . 27415 1 218 . 1 1 29 29 TRP NE1 N 15 129.3 0.2 . 1 . . . . . 29 TRP NE1 . 27415 1 219 . 1 1 30 30 TYR H H 1 7.65 0.02 . 1 . . . . . 30 TYR H . 27415 1 220 . 1 1 30 30 TYR HA H 1 4.27 0.02 . 1 . . . . . 30 TYR HA . 27415 1 221 . 1 1 30 30 TYR HB2 H 1 2.82 0.02 . 2 . . . . . 30 TYR HB2 . 27415 1 222 . 1 1 30 30 TYR HB3 H 1 2.82 0.02 . 2 . . . . . 30 TYR HB3 . 27415 1 223 . 1 1 30 30 TYR C C 13 175.8 0.2 . 1 . . . . . 30 TYR C . 27415 1 224 . 1 1 30 30 TYR CA C 13 58.5 0.2 . 1 . . . . . 30 TYR CA . 27415 1 225 . 1 1 30 30 TYR CB C 13 38.5 0.2 . 1 . . . . . 30 TYR CB . 27415 1 226 . 1 1 30 30 TYR N N 15 120.4 0.2 . 1 . . . . . 30 TYR N . 27415 1 227 . 1 1 31 31 GLN H H 1 8.01 0.02 . 1 . . . . . 31 GLN H . 27415 1 228 . 1 1 31 31 GLN HA H 1 4.09 0.02 . 1 . . . . . 31 GLN HA . 27415 1 229 . 1 1 31 31 GLN HE21 H 1 7.47 0.02 . 2 . . . . . 31 GLN HE21 . 27415 1 230 . 1 1 31 31 GLN HE22 H 1 6.85 0.02 . 2 . . . . . 31 GLN HE22 . 27415 1 231 . 1 1 31 31 GLN C C 13 176.0 0.2 . 1 . . . . . 31 GLN C . 27415 1 232 . 1 1 31 31 GLN CA C 13 56.7 0.2 . 1 . . . . . 31 GLN CA . 27415 1 233 . 1 1 31 31 GLN CB C 13 29.3 0.2 . 1 . . . . . 31 GLN CB . 27415 1 234 . 1 1 31 31 GLN CG C 13 34.0 0.2 . 1 . . . . . 31 GLN CG . 27415 1 235 . 1 1 31 31 GLN N N 15 120.1 0.2 . 1 . . . . . 31 GLN N . 27415 1 236 . 1 1 31 31 GLN NE2 N 15 111.7 0.2 . 1 . . . . . 31 GLN NE2 . 27415 1 237 . 1 1 32 32 SER H H 1 8.01 0.02 . 1 . . . . . 32 SER H . 27415 1 238 . 1 1 32 32 SER HA H 1 4.35 0.02 . 1 . . . . . 32 SER HA . 27415 1 239 . 1 1 32 32 SER HB2 H 1 3.87 0.02 . 2 . . . . . 32 SER HB2 . 27415 1 240 . 1 1 32 32 SER HB3 H 1 3.87 0.02 . 2 . . . . . 32 SER HB3 . 27415 1 241 . 1 1 32 32 SER C C 13 174.1 0.2 . 1 . . . . . 32 SER C . 27415 1 242 . 1 1 32 32 SER CA C 13 58.9 0.2 . 1 . . . . . 32 SER CA . 27415 1 243 . 1 1 32 32 SER CB C 13 63.6 0.2 . 1 . . . . . 32 SER CB . 27415 1 244 . 1 1 32 32 SER N N 15 115.1 0.2 . 1 . . . . . 32 SER N . 27415 1 245 . 1 1 33 33 MET H H 1 8.04 0.02 . 1 . . . . . 33 MET H . 27415 1 246 . 1 1 33 33 MET HA H 1 4.54 0.02 . 1 . . . . . 33 MET HA . 27415 1 247 . 1 1 33 33 MET C C 13 176.1 0.2 . 1 . . . . . 33 MET C . 27415 1 248 . 1 1 33 33 MET CA C 13 58.1 0.2 . 1 . . . . . 33 MET CA . 27415 1 249 . 1 1 33 33 MET N N 15 121.1 0.2 . 1 . . . . . 33 MET N . 27415 1 250 . 1 1 34 34 ILE H H 1 7.87 0.02 . 1 . . . . . 34 ILE H . 27415 1 251 . 1 1 34 34 ILE HA H 1 4.10 0.02 . 1 . . . . . 34 ILE HA . 27415 1 252 . 1 1 34 34 ILE HB H 1 2.23 0.02 . 1 . . . . . 34 ILE HB . 27415 1 253 . 1 1 34 34 ILE HG21 H 1 1.39 0.02 . 1 . . . . . 34 ILE MG . 27415 1 254 . 1 1 34 34 ILE HG22 H 1 1.39 0.02 . 1 . . . . . 34 ILE MG . 27415 1 255 . 1 1 34 34 ILE HG23 H 1 1.39 0.02 . 1 . . . . . 34 ILE MG . 27415 1 256 . 1 1 34 34 ILE HD11 H 1 1.36 0.02 . 1 . . . . . 34 ILE MD . 27415 1 257 . 1 1 34 34 ILE HD12 H 1 1.36 0.02 . 1 . . . . . 34 ILE MD . 27415 1 258 . 1 1 34 34 ILE HD13 H 1 1.36 0.02 . 1 . . . . . 34 ILE MD . 27415 1 259 . 1 1 34 34 ILE C C 13 175.9 0.2 . 1 . . . . . 34 ILE C . 27415 1 260 . 1 1 34 34 ILE CA C 13 61.4 0.2 . 1 . . . . . 34 ILE CA . 27415 1 261 . 1 1 34 34 ILE CB C 13 38.3 0.2 . 1 . . . . . 34 ILE CB . 27415 1 262 . 1 1 34 34 ILE CG1 C 13 27.1 0.2 . 1 . . . . . 34 ILE CG1 . 27415 1 263 . 1 1 34 34 ILE CG2 C 13 17.5 0.2 . 1 . . . . . 34 ILE CG2 . 27415 1 264 . 1 1 34 34 ILE CD1 C 13 12.3 0.2 . 1 . . . . . 34 ILE CD1 . 27415 1 265 . 1 1 34 34 ILE N N 15 120.4 0.2 . 1 . . . . . 34 ILE N . 27415 1 266 . 1 1 35 35 ARG HA H 1 4.30 0.02 . 1 . . . . . 35 ARG HA . 27415 1 267 . 1 1 35 35 ARG HD2 H 1 3.35 0.02 . 2 . . . . . 35 ARG HD2 . 27415 1 268 . 1 1 35 35 ARG HD3 H 1 3.35 0.02 . 2 . . . . . 35 ARG HD3 . 27415 1 269 . 1 1 35 35 ARG C C 13 175.5 0.2 . 1 . . . . . 35 ARG C . 27415 1 270 . 1 1 35 35 ARG CA C 13 55.9 0.2 . 1 . . . . . 35 ARG CA . 27415 1 271 . 1 1 35 35 ARG CB C 13 30.6 0.2 . 1 . . . . . 35 ARG CB . 27415 1 272 . 1 1 35 35 ARG CG C 13 27.1 0.2 . 1 . . . . . 35 ARG CG . 27415 1 273 . 1 1 35 35 ARG CD C 13 43.3 0.2 . 1 . . . . . 35 ARG CD . 27415 1 274 . 1 1 36 36 GLN H H 1 8.18 0.02 . 1 . . . . . 36 GLN H . 27415 1 275 . 1 1 36 36 GLN HA H 1 4.56 0.02 . 1 . . . . . 36 GLN HA . 27415 1 276 . 1 1 36 36 GLN HE21 H 1 7.44 0.02 . 2 . . . . . 36 GLN HE21 . 27415 1 277 . 1 1 36 36 GLN HE22 H 1 6.86 0.02 . 2 . . . . . 36 GLN HE22 . 27415 1 278 . 1 1 36 36 GLN N N 15 122.2 0.2 . 1 . . . . . 36 GLN N . 27415 1 279 . 1 1 36 36 GLN NE2 N 15 112.1 0.2 . 1 . . . . . 36 GLN NE2 . 27415 1 280 . 1 1 37 37 PRO HD2 H 1 3.65 0.02 . 2 . . . . . 37 PRO HD2 . 27415 1 281 . 1 1 37 37 PRO HD3 H 1 3.54 0.02 . 2 . . . . . 37 PRO HD3 . 27415 1 282 . 1 1 37 37 PRO C C 13 175.9 0.2 . 1 . . . . . 37 PRO C . 27415 1 283 . 1 1 37 37 PRO CA C 13 63.3 0.2 . 1 . . . . . 37 PRO CA . 27415 1 284 . 1 1 37 37 PRO CB C 13 31.9 0.2 . 1 . . . . . 37 PRO CB . 27415 1 285 . 1 1 37 37 PRO CG C 13 27.2 0.2 . 1 . . . . . 37 PRO CG . 27415 1 286 . 1 1 37 37 PRO CD C 13 50.4 0.2 . 1 . . . . . 37 PRO CD . 27415 1 287 . 1 1 38 38 TYR H H 1 7.89 0.2 . 1 . . . . . 38 TYR H . 27415 1 288 . 1 1 38 38 TYR HB2 H 1 3.01 0.02 . 2 . . . . . 38 TYR HB2 . 27415 1 289 . 1 1 38 38 TYR HB3 H 1 2.81 0.02 . 2 . . . . . 38 TYR HB3 . 27415 1 290 . 1 1 38 38 TYR CA C 13 55.5 0.2 . 1 . . . . . 38 TYR CA . 27415 1 291 . 1 1 38 38 TYR CB C 13 38.2 0.2 . 1 . . . . . 38 TYR CB . 27415 1 292 . 1 1 38 38 TYR N N 15 120.1 0.2 . 1 . . . . . 38 TYR N . 27415 1 293 . 1 1 39 39 PRO CA C 13 63.4 0.2 . 1 . . . . . 39 PRO CA . 27415 1 294 . 1 1 39 39 PRO CB C 13 31.9 0.2 . 1 . . . . . 39 PRO CB . 27415 1 295 . 1 1 39 39 PRO CG C 13 27.3 0.2 . 1 . . . . . 39 PRO CG . 27415 1 296 . 1 1 39 39 PRO CD C 13 50.5 0.2 . 1 . . . . . 39 PRO CD . 27415 1 297 . 1 1 40 40 SER H H 1 8.16 0.2 . 1 . . . . . 40 SER H . 27415 1 298 . 1 1 40 40 SER C C 13 174.4 0.2 . 1 . . . . . 40 SER C . 27415 1 299 . 1 1 40 40 SER CA C 13 59.0 0.2 . 1 . . . . . 40 SER CA . 27415 1 300 . 1 1 40 40 SER CB C 13 63.9 0.2 . 1 . . . . . 40 SER CB . 27415 1 301 . 1 1 40 40 SER N N 15 115.3 0.2 . 1 . . . . . 40 SER N . 27415 1 302 . 1 1 41 41 TYR H H 1 8.08 0.02 . 1 . . . . . 41 TYR H . 27415 1 303 . 1 1 41 41 TYR C C 13 176.0 0.2 . 1 . . . . . 41 TYR C . 27415 1 304 . 1 1 41 41 TYR CA C 13 58.0 0.2 . 1 . . . . . 41 TYR CA . 27415 1 305 . 1 1 41 41 TYR CB C 13 38.8 0.2 . 1 . . . . . 41 TYR CB . 27415 1 306 . 1 1 41 41 TYR N N 15 108.1 0.2 . 1 . . . . . 41 TYR N . 27415 1 307 . 1 1 42 42 GLY H H 1 8.23 0.2 . 1 . . . . . 42 GLY H . 27415 1 308 . 1 1 42 42 GLY HA2 H 1 3.89 0.02 . 2 . . . . . 42 GLY HA2 . 27415 1 309 . 1 1 42 42 GLY HA3 H 1 3.78 0.02 . 2 . . . . . 42 GLY HA3 . 27415 1 310 . 1 1 42 42 GLY C C 13 173.3 0.2 . 1 . . . . . 42 GLY C . 27415 1 311 . 1 1 42 42 GLY CA C 13 45.2 0.2 . 1 . . . . . 42 GLY CA . 27415 1 312 . 1 1 42 42 GLY N N 15 110.2 0.2 . 1 . . . . . 42 GLY N . 27415 1 313 . 1 1 43 43 TYR H H 1 7.92 0.02 . 1 . . . . . 43 TYR H . 27415 1 314 . 1 1 43 43 TYR HA H 1 4.52 0.02 . 1 . . . . . 43 TYR HA . 27415 1 315 . 1 1 43 43 TYR HB2 H 1 2.94 0.02 . 2 . . . . . 43 TYR HB2 . 27415 1 316 . 1 1 43 43 TYR HB3 H 1 2.94 0.02 . 2 . . . . . 43 TYR HB3 . 27415 1 317 . 1 1 43 43 TYR C C 13 175.0 0.2 . 1 . . . . . 43 TYR C . 27415 1 318 . 1 1 43 43 TYR CA C 13 57.8 0.2 . 1 . . . . . 43 TYR CA . 27415 1 319 . 1 1 43 43 TYR CB C 13 39.0 0.2 . 1 . . . . . 43 TYR CB . 27415 1 320 . 1 1 43 43 TYR N N 15 119.8 0.2 . 1 . . . . . 43 TYR N . 27415 1 321 . 1 1 44 44 GLU H H 1 8.00 0.02 . 1 . . . . . 44 GLU H . 27415 1 322 . 1 1 44 44 GLU HA H 1 4.35 0.02 . 1 . . . . . 44 GLU HA . 27415 1 323 . 1 1 44 44 GLU C C 13 176.8 0.2 . 1 . . . . . 44 GLU C . 27415 1 324 . 1 1 44 44 GLU CA C 13 53.0 0.2 . 1 . . . . . 44 GLU CA . 27415 1 325 . 1 1 44 44 GLU CB C 13 28.9 0.2 . 1 . . . . . 44 GLU CB . 27415 1 326 . 1 1 44 44 GLU N N 15 123.8 0.2 . 1 . . . . . 44 GLU N . 27415 1 327 . 1 1 45 45 PRO CA C 13 62.9 0.2 . 1 . . . . . 45 PRO CA . 27415 1 328 . 1 1 45 45 PRO CB C 13 31.9 0.2 . 1 . . . . . 45 PRO CB . 27415 1 329 . 1 1 45 45 PRO CG C 13 27.2 0.2 . 1 . . . . . 45 PRO CG . 27415 1 330 . 1 1 45 45 PRO CD C 13 50.4 0.2 . 1 . . . . . 45 PRO CD . 27415 1 331 . 1 1 46 46 MET H H 1 8.42 0.02 . 1 . . . . . 46 MET H . 27415 1 332 . 1 1 46 46 MET HA H 1 4.32 0.02 . 1 . . . . . 46 MET HA . 27415 1 333 . 1 1 46 46 MET C C 13 176.7 0.2 . 1 . . . . . 46 MET C . 27415 1 334 . 1 1 46 46 MET CA C 13 56.2 0.2 . 1 . . . . . 46 MET CA . 27415 1 335 . 1 1 46 46 MET CB C 13 32.1 0.2 . 1 . . . . . 46 MET CB . 27415 1 336 . 1 1 46 46 MET N N 15 120.6 0.2 . 1 . . . . . 46 MET N . 27415 1 337 . 1 1 47 47 GLY H H 1 8.36 0.02 . 1 . . . . . 47 GLY H . 27415 1 338 . 1 1 47 47 GLY HA2 H 1 3.88 0.02 . 2 . . . . . 47 GLY HA2 . 27415 1 339 . 1 1 47 47 GLY HA3 H 1 3.88 0.02 . 2 . . . . . 47 GLY HA3 . 27415 1 340 . 1 1 47 47 GLY C C 13 174.2 0.2 . 1 . . . . . 47 GLY C . 27415 1 341 . 1 1 47 47 GLY CA C 13 45.2 0.2 . 1 . . . . . 47 GLY CA . 27415 1 342 . 1 1 47 47 GLY N N 15 110.3 0.2 . 1 . . . . . 47 GLY N . 27415 1 343 . 1 1 48 48 GLY H H 1 8.01 0.02 . 1 . . . . . 48 GLY H . 27415 1 344 . 1 1 48 48 GLY HA2 H 1 3.97 0.02 . 2 . . . . . 48 GLY HA2 . 27415 1 345 . 1 1 48 48 GLY HA3 H 1 3.79 0.02 . 2 . . . . . 48 GLY HA3 . 27415 1 346 . 1 1 48 48 GLY CA C 13 45.1 0.2 . 1 . . . . . 48 GLY CA . 27415 1 347 . 1 1 48 48 GLY N N 15 108.1 0.2 . 1 . . . . . 48 GLY N . 27415 1 348 . 1 1 49 49 TRP H H 1 7.86 0.02 . 1 . . . . . 49 TRP H . 27415 1 349 . 1 1 49 49 TRP HD1 H 1 7.22 0.02 . 1 . . . . . 49 TRP HD1 . 27415 1 350 . 1 1 49 49 TRP HE1 H 1 10.05 0.02 . 1 . . . . . 49 TRP HE1 . 27415 1 351 . 1 1 49 49 TRP CA C 13 56.8 0.2 . 1 . . . . . 49 TRP CA . 27415 1 352 . 1 1 49 49 TRP CB C 13 29.5 0.2 . 1 . . . . . 49 TRP CB . 27415 1 353 . 1 1 49 49 TRP N N 15 120.7 0.2 . 1 . . . . . 49 TRP N . 27415 1 354 . 1 1 49 49 TRP NE1 N 15 128.9 0.2 . 1 . . . . . 49 TRP NE1 . 27415 1 stop_ save_