data_5459 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5459 _Entry.Title ; High precision NMR structure of RING-H2 finger domain of EL5, a rice gene in response to N-acetylchitooligosaccahride elicitor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-07-11 _Entry.Accession_date 2002-07-12 _Entry.Last_release_date 2003-06-12 _Entry.Original_release_date 2003-06-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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.Entry_ID 1 Toshimasa Yamazaki . . . 5459 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5459 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 233 5459 '15N chemical shifts' 51 5459 '1H chemical shifts' 349 5459 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 . . 2003-06-12 2002-07-11 original author . 5459 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1IYM 'BMRB Entry Tracking System' 5459 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5459 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22590463 _Citation.DOI . _Citation.PubMed_ID 12588869 _Citation.Full_citation . _Citation.Title ; High Precision NMR Structure and Function of the RING-H2 Finger Domain of EL5, a Rice Protein whose Expression is Increased upon Exposure to Pathogen-derived Oligosaccahrides ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 278 _Citation.Journal_issue 17 _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 15341 _Citation.Page_last 15348 _Citation.Year 2003 _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.Entry_ID _Citation_author.Citation_ID 1 Shizue Katoh . . . 5459 1 2 Cui Hong . . . 5459 1 3 Yuki Tsunoda . . . 5459 1 4 Katsuyoshi Murata . . . 5459 1 5 Ryota Takai . . . 5459 1 6 Eiichi Minami . . . 5459 1 7 Toshimasa Yamazaki . . . 5459 1 8 Etsuko Katoh . . . 5459 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_EL5_RING-H2_finger_domain _Assembly.Sf_category assembly _Assembly.Sf_framecode EL5_RING-H2_finger_domain _Assembly.Entry_ID 5459 _Assembly.ID 1 _Assembly.Name 'EL5 RING-H2 finger domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not reported' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID oligomer 5459 1 stop_ 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 'Ubiquitine-conjugate enzyme binding domain' 1 $RING_H2_finger_domain . . . native . . . . . 5459 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'EL5 RING-H2 finger domain' abbreviation 5459 1 'EL5 RING-H2 finger domain' system 5459 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RING_H2_finger_domain _Entity.Sf_category entity _Entity.Sf_framecode RING_H2_finger_domain _Entity.Entry_ID 5459 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RING-H2 finger domain' _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 ; AMDDGVECAVCLAELEDGEE ARFLPRCGHGFHAECVDMWL GSHSTCPLCRLTVVV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 55 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1IYM . "Ring-H2 Finger Domain Of El5" . . . . . 100.00 55 100.00 100.00 1.10e-30 . . . . 5459 1 2 no DBJ BAA96874 . "EL5 [Oryza sativa Japonica Group]" . . . . . 96.36 325 100.00 100.00 1.46e-29 . . . . 5459 1 3 no DBJ BAD16530 . "EL5 [Oryza sativa Japonica Group]" . . . . . 96.36 325 100.00 100.00 1.46e-29 . . . . 5459 1 4 no DBJ BAD16534 . "EL5 [Oryza sativa Japonica Group]" . . . . . 96.36 325 100.00 100.00 1.46e-29 . . . . 5459 1 5 no DBJ BAD16538 . "EL5 [Oryza sativa Japonica Group]" . . . . . 96.36 325 100.00 100.00 1.46e-29 . . . . 5459 1 6 no DBJ BAD16542 . "EL5 [Oryza sativa Japonica Group]" . . . . . 96.36 325 100.00 100.00 1.46e-29 . . . . 5459 1 7 no GB EAZ23461 . "hypothetical protein OsJ_07155 [Oryza sativa Japonica Group]" . . . . . 96.36 314 100.00 100.00 1.20e-29 . . . . 5459 1 8 no REF NP_001047149 . "Os02g0559800 [Oryza sativa Japonica Group]" . . . . . 96.36 325 100.00 100.00 1.46e-29 . . . . 5459 1 9 no SP Q9LRB7 . "RecName: Full=E3 ubiquitin-protein ligase EL5; AltName: Full=Protein ELICITOR 5 [Oryza sativa Japonica Group]" . . . . . 96.36 325 100.00 100.00 1.46e-29 . . . . 5459 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RING-H2 finger domain' abbreviation 5459 1 'RING-H2 finger domain' common 5459 1 stop_ 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 . ALA . 5459 1 2 . MET . 5459 1 3 . ASP . 5459 1 4 . ASP . 5459 1 5 . GLY . 5459 1 6 . VAL . 5459 1 7 . GLU . 5459 1 8 . CYS . 5459 1 9 . ALA . 5459 1 10 . VAL . 5459 1 11 . CYS . 5459 1 12 . LEU . 5459 1 13 . ALA . 5459 1 14 . GLU . 5459 1 15 . LEU . 5459 1 16 . GLU . 5459 1 17 . ASP . 5459 1 18 . GLY . 5459 1 19 . GLU . 5459 1 20 . GLU . 5459 1 21 . ALA . 5459 1 22 . ARG . 5459 1 23 . PHE . 5459 1 24 . LEU . 5459 1 25 . PRO . 5459 1 26 . ARG . 5459 1 27 . CYS . 5459 1 28 . GLY . 5459 1 29 . HIS . 5459 1 30 . GLY . 5459 1 31 . PHE . 5459 1 32 . HIS . 5459 1 33 . ALA . 5459 1 34 . GLU . 5459 1 35 . CYS . 5459 1 36 . VAL . 5459 1 37 . ASP . 5459 1 38 . MET . 5459 1 39 . TRP . 5459 1 40 . LEU . 5459 1 41 . GLY . 5459 1 42 . SER . 5459 1 43 . HIS . 5459 1 44 . SER . 5459 1 45 . THR . 5459 1 46 . CYS . 5459 1 47 . PRO . 5459 1 48 . LEU . 5459 1 49 . CYS . 5459 1 50 . ARG . 5459 1 51 . LEU . 5459 1 52 . THR . 5459 1 53 . VAL . 5459 1 54 . VAL . 5459 1 55 . VAL . 5459 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 . ALA 1 1 5459 1 . MET 2 2 5459 1 . ASP 3 3 5459 1 . ASP 4 4 5459 1 . GLY 5 5 5459 1 . VAL 6 6 5459 1 . GLU 7 7 5459 1 . CYS 8 8 5459 1 . ALA 9 9 5459 1 . VAL 10 10 5459 1 . CYS 11 11 5459 1 . LEU 12 12 5459 1 . ALA 13 13 5459 1 . GLU 14 14 5459 1 . LEU 15 15 5459 1 . GLU 16 16 5459 1 . ASP 17 17 5459 1 . GLY 18 18 5459 1 . GLU 19 19 5459 1 . GLU 20 20 5459 1 . ALA 21 21 5459 1 . ARG 22 22 5459 1 . PHE 23 23 5459 1 . LEU 24 24 5459 1 . PRO 25 25 5459 1 . ARG 26 26 5459 1 . CYS 27 27 5459 1 . GLY 28 28 5459 1 . HIS 29 29 5459 1 . GLY 30 30 5459 1 . PHE 31 31 5459 1 . HIS 32 32 5459 1 . ALA 33 33 5459 1 . GLU 34 34 5459 1 . CYS 35 35 5459 1 . VAL 36 36 5459 1 . ASP 37 37 5459 1 . MET 38 38 5459 1 . TRP 39 39 5459 1 . LEU 40 40 5459 1 . GLY 41 41 5459 1 . SER 42 42 5459 1 . HIS 43 43 5459 1 . SER 44 44 5459 1 . THR 45 45 5459 1 . CYS 46 46 5459 1 . PRO 47 47 5459 1 . LEU 48 48 5459 1 . CYS 49 49 5459 1 . ARG 50 50 5459 1 . LEU 51 51 5459 1 . THR 52 52 5459 1 . VAL 53 53 5459 1 . VAL 54 54 5459 1 . VAL 55 55 5459 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 5459 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RING_H2_finger_domain . 4530 organism . 'Olyza sativa' Rice . . Eukaryota Viridiplantae Olyza sativa . . . . . . . . . . . . . . . . . . . . . 5459 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 5459 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RING_H2_finger_domain . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5459 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5459 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'RING-H2 finger domain' '[U-13C; U-15N]' . . 1 $RING_H2_finger_domain . . . . . mM . . . . 5459 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5459 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.1 n/a 5459 1 temperature 308 0.2 K 5459 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 5459 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 5459 _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 unknown unknown . 0 'spectrometer information not available' . . 5459 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 5459 _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 NMR_applied_experiment . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 5459 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5459 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5459 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 5459 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5459 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5459 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5459 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 ALA HA H 1 4.19 . . 1 . . . . . . . . 5459 1 2 . 1 1 1 1 ALA HB1 H 1 1.63 . . 1 . . . . . . . . 5459 1 3 . 1 1 1 1 ALA HB2 H 1 1.63 . . 1 . . . . . . . . 5459 1 4 . 1 1 1 1 ALA HB3 H 1 1.63 . . 1 . . . . . . . . 5459 1 5 . 1 1 1 1 ALA C C 13 174.17 . . 1 . . . . . . . . 5459 1 6 . 1 1 1 1 ALA CA C 13 51.84 . . 1 . . . . . . . . 5459 1 7 . 1 1 1 1 ALA CB C 13 19.40 . . 1 . . . . . . . . 5459 1 8 . 1 1 2 2 MET HA H 1 4.52 . . 1 . . . . . . . . 5459 1 9 . 1 1 2 2 MET HB2 H 1 2.19 . . 2 . . . . . . . . 5459 1 10 . 1 1 2 2 MET HB3 H 1 2.11 . . 2 . . . . . . . . 5459 1 11 . 1 1 2 2 MET HG2 H 1 2.67 . . 2 . . . . . . . . 5459 1 12 . 1 1 2 2 MET HG3 H 1 2.63 . . 2 . . . . . . . . 5459 1 13 . 1 1 2 2 MET C C 13 176.01 . . 1 . . . . . . . . 5459 1 14 . 1 1 2 2 MET CA C 13 56.36 . . 1 . . . . . . . . 5459 1 15 . 1 1 2 2 MET CB C 13 32.73 . . 1 . . . . . . . . 5459 1 16 . 1 1 2 2 MET CG C 13 32.20 . . 1 . . . . . . . . 5459 1 17 . 1 1 3 3 ASP H H 1 8.40 . . 1 . . . . . . . . 5459 1 18 . 1 1 3 3 ASP HA H 1 4.65 . . 1 . . . . . . . . 5459 1 19 . 1 1 3 3 ASP HB2 H 1 2.71 . . 1 . . . . . . . . 5459 1 20 . 1 1 3 3 ASP HB3 H 1 2.77 . . 1 . . . . . . . . 5459 1 21 . 1 1 3 3 ASP C C 13 175.84 . . 1 . . . . . . . . 5459 1 22 . 1 1 3 3 ASP CA C 13 54.83 . . 1 . . . . . . . . 5459 1 23 . 1 1 3 3 ASP CB C 13 41.05 . . 1 . . . . . . . . 5459 1 24 . 1 1 3 3 ASP N N 15 119.78 . . 1 . . . . . . . . 5459 1 25 . 1 1 4 4 ASP H H 1 8.10 . . 1 . . . . . . . . 5459 1 26 . 1 1 4 4 ASP HA H 1 4.70 . . 1 . . . . . . . . 5459 1 27 . 1 1 4 4 ASP HB2 H 1 2.76 . . 1 . . . . . . . . 5459 1 28 . 1 1 4 4 ASP HB3 H 1 2.76 . . 1 . . . . . . . . 5459 1 29 . 1 1 4 4 ASP C C 13 176.57 . . 1 . . . . . . . . 5459 1 30 . 1 1 4 4 ASP CA C 13 54.57 . . 1 . . . . . . . . 5459 1 31 . 1 1 4 4 ASP CB C 13 41.41 . . 1 . . . . . . . . 5459 1 32 . 1 1 4 4 ASP N N 15 118.80 . . 1 . . . . . . . . 5459 1 33 . 1 1 5 5 GLY H H 1 8.21 . . 1 . . . . . . . . 5459 1 34 . 1 1 5 5 GLY HA2 H 1 4.10 . . 2 . . . . . . . . 5459 1 35 . 1 1 5 5 GLY HA3 H 1 3.98 . . 2 . . . . . . . . 5459 1 36 . 1 1 5 5 GLY C C 13 173.68 . . 1 . . . . . . . . 5459 1 37 . 1 1 5 5 GLY CA C 13 45.65 . . 1 . . . . . . . . 5459 1 38 . 1 1 5 5 GLY N N 15 108.63 . . 1 . . . . . . . . 5459 1 39 . 1 1 6 6 VAL H H 1 8.23 . . 1 . . . . . . . . 5459 1 40 . 1 1 6 6 VAL HA H 1 4.20 . . 1 . . . . . . . . 5459 1 41 . 1 1 6 6 VAL HB H 1 2.11 . . 1 . . . . . . . . 5459 1 42 . 1 1 6 6 VAL HG11 H 1 0.88 . . 1 . . . . . . . . 5459 1 43 . 1 1 6 6 VAL HG12 H 1 0.88 . . 1 . . . . . . . . 5459 1 44 . 1 1 6 6 VAL HG13 H 1 0.88 . . 1 . . . . . . . . 5459 1 45 . 1 1 6 6 VAL HG21 H 1 1.00 . . 1 . . . . . . . . 5459 1 46 . 1 1 6 6 VAL HG22 H 1 1.00 . . 1 . . . . . . . . 5459 1 47 . 1 1 6 6 VAL HG23 H 1 1.00 . . 1 . . . . . . . . 5459 1 48 . 1 1 6 6 VAL C C 13 174.77 . . 1 . . . . . . . . 5459 1 49 . 1 1 6 6 VAL CA C 13 62.07 . . 1 . . . . . . . . 5459 1 50 . 1 1 6 6 VAL CB C 13 33.42 . . 1 . . . . . . . . 5459 1 51 . 1 1 6 6 VAL CG1 C 13 21.51 . . 1 . . . . . . . . 5459 1 52 . 1 1 6 6 VAL CG2 C 13 20.97 . . 1 . . . . . . . . 5459 1 53 . 1 1 6 6 VAL N N 15 119.73 . . 1 . . . . . . . . 5459 1 54 . 1 1 7 7 GLU H H 1 8.30 . . 1 . . . . . . . . 5459 1 55 . 1 1 7 7 GLU HA H 1 4.38 . . 1 . . . . . . . . 5459 1 56 . 1 1 7 7 GLU HB2 H 1 1.79 . . 2 . . . . . . . . 5459 1 57 . 1 1 7 7 GLU HB3 H 1 1.75 . . 2 . . . . . . . . 5459 1 58 . 1 1 7 7 GLU HG2 H 1 1.96 . . 1 . . . . . . . . 5459 1 59 . 1 1 7 7 GLU HG3 H 1 1.96 . . 1 . . . . . . . . 5459 1 60 . 1 1 7 7 GLU C C 13 175.29 . . 1 . . . . . . . . 5459 1 61 . 1 1 7 7 GLU CA C 13 55.07 . . 1 . . . . . . . . 5459 1 62 . 1 1 7 7 GLU CB C 13 31.69 . . 1 . . . . . . . . 5459 1 63 . 1 1 7 7 GLU CG C 13 36.18 . . 1 . . . . . . . . 5459 1 64 . 1 1 7 7 GLU CD C 13 182.77 . . 1 . . . . . . . . 5459 1 65 . 1 1 7 7 GLU N N 15 124.31 . . 1 . . . . . . . . 5459 1 66 . 1 1 8 8 CYS H H 1 8.43 . . 1 . . . . . . . . 5459 1 67 . 1 1 8 8 CYS HA H 1 4.37 . . 1 . . . . . . . . 5459 1 68 . 1 1 8 8 CYS HB2 H 1 2.38 . . 1 . . . . . . . . 5459 1 69 . 1 1 8 8 CYS HB3 H 1 3.67 . . 1 . . . . . . . . 5459 1 70 . 1 1 8 8 CYS C C 13 177.30 . . 1 . . . . . . . . 5459 1 71 . 1 1 8 8 CYS CA C 13 58.98 . . 1 . . . . . . . . 5459 1 72 . 1 1 8 8 CYS CB C 13 31.22 . . 1 . . . . . . . . 5459 1 73 . 1 1 8 8 CYS N N 15 126.17 . . 1 . . . . . . . . 5459 1 74 . 1 1 9 9 ALA H H 1 8.69 . . 1 . . . . . . . . 5459 1 75 . 1 1 9 9 ALA HA H 1 4.26 . . 1 . . . . . . . . 5459 1 76 . 1 1 9 9 ALA HB1 H 1 1.39 . . 1 . . . . . . . . 5459 1 77 . 1 1 9 9 ALA HB2 H 1 1.39 . . 1 . . . . . . . . 5459 1 78 . 1 1 9 9 ALA HB3 H 1 1.39 . . 1 . . . . . . . . 5459 1 79 . 1 1 9 9 ALA C C 13 177.06 . . 1 . . . . . . . . 5459 1 80 . 1 1 9 9 ALA CA C 13 53.92 . . 1 . . . . . . . . 5459 1 81 . 1 1 9 9 ALA CB C 13 19.42 . . 1 . . . . . . . . 5459 1 82 . 1 1 9 9 ALA N N 15 130.68 . . 1 . . . . . . . . 5459 1 83 . 1 1 10 10 VAL H H 1 8.42 . . 1 . . . . . . . . 5459 1 84 . 1 1 10 10 VAL HA H 1 3.86 . . 1 . . . . . . . . 5459 1 85 . 1 1 10 10 VAL HB H 1 2.21 . . 1 . . . . . . . . 5459 1 86 . 1 1 10 10 VAL HG11 H 1 1.12 . . 1 . . . . . . . . 5459 1 87 . 1 1 10 10 VAL HG12 H 1 1.12 . . 1 . . . . . . . . 5459 1 88 . 1 1 10 10 VAL HG13 H 1 1.12 . . 1 . . . . . . . . 5459 1 89 . 1 1 10 10 VAL HG21 H 1 0.63 . . 1 . . . . . . . . 5459 1 90 . 1 1 10 10 VAL HG22 H 1 0.63 . . 1 . . . . . . . . 5459 1 91 . 1 1 10 10 VAL HG23 H 1 0.63 . . 1 . . . . . . . . 5459 1 92 . 1 1 10 10 VAL C C 13 176.19 . . 1 . . . . . . . . 5459 1 93 . 1 1 10 10 VAL CA C 13 65.29 . . 1 . . . . . . . . 5459 1 94 . 1 1 10 10 VAL CB C 13 32.82 . . 1 . . . . . . . . 5459 1 95 . 1 1 10 10 VAL CG1 C 13 20.78 . . 1 . . . . . . . . 5459 1 96 . 1 1 10 10 VAL CG2 C 13 22.17 . . 1 . . . . . . . . 5459 1 97 . 1 1 10 10 VAL N N 15 116.69 . . 1 . . . . . . . . 5459 1 98 . 1 1 11 11 CYS H H 1 7.73 . . 1 . . . . . . . . 5459 1 99 . 1 1 11 11 CYS HA H 1 4.89 . . 1 . . . . . . . . 5459 1 100 . 1 1 11 11 CYS HB2 H 1 3.34 . . 1 . . . . . . . . 5459 1 101 . 1 1 11 11 CYS HB3 H 1 3.12 . . 1 . . . . . . . . 5459 1 102 . 1 1 11 11 CYS C C 13 176.08 . . 1 . . . . . . . . 5459 1 103 . 1 1 11 11 CYS CA C 13 58.73 . . 1 . . . . . . . . 5459 1 104 . 1 1 11 11 CYS CB C 13 31.57 . . 1 . . . . . . . . 5459 1 105 . 1 1 11 11 CYS N N 15 116.31 . . 1 . . . . . . . . 5459 1 106 . 1 1 12 12 LEU H H 1 8.35 . . 1 . . . . . . . . 5459 1 107 . 1 1 12 12 LEU HA H 1 4.11 . . 1 . . . . . . . . 5459 1 108 . 1 1 12 12 LEU HB2 H 1 2.21 . . 1 . . . . . . . . 5459 1 109 . 1 1 12 12 LEU HB3 H 1 1.72 . . 1 . . . . . . . . 5459 1 110 . 1 1 12 12 LEU HG H 1 1.47 . . 1 . . . . . . . . 5459 1 111 . 1 1 12 12 LEU HD11 H 1 0.95 . . 1 . . . . . . . . 5459 1 112 . 1 1 12 12 LEU HD12 H 1 0.95 . . 1 . . . . . . . . 5459 1 113 . 1 1 12 12 LEU HD13 H 1 0.95 . . 1 . . . . . . . . 5459 1 114 . 1 1 12 12 LEU HD21 H 1 0.86 . . 1 . . . . . . . . 5459 1 115 . 1 1 12 12 LEU HD22 H 1 0.86 . . 1 . . . . . . . . 5459 1 116 . 1 1 12 12 LEU HD23 H 1 0.86 . . 1 . . . . . . . . 5459 1 117 . 1 1 12 12 LEU C C 13 175.10 . . 1 . . . . . . . . 5459 1 118 . 1 1 12 12 LEU CA C 13 56.93 . . 1 . . . . . . . . 5459 1 119 . 1 1 12 12 LEU CB C 13 38.21 . . 1 . . . . . . . . 5459 1 120 . 1 1 12 12 LEU CG C 13 27.35 . . 1 . . . . . . . . 5459 1 121 . 1 1 12 12 LEU CD1 C 13 25.30 . . 1 . . . . . . . . 5459 1 122 . 1 1 12 12 LEU CD2 C 13 22.79 . . 1 . . . . . . . . 5459 1 123 . 1 1 12 12 LEU N N 15 119.60 . . 1 . . . . . . . . 5459 1 124 . 1 1 13 13 ALA H H 1 8.46 . . 1 . . . . . . . . 5459 1 125 . 1 1 13 13 ALA HA H 1 4.87 . . 1 . . . . . . . . 5459 1 126 . 1 1 13 13 ALA HB1 H 1 1.71 . . 1 . . . . . . . . 5459 1 127 . 1 1 13 13 ALA HB2 H 1 1.71 . . 1 . . . . . . . . 5459 1 128 . 1 1 13 13 ALA HB3 H 1 1.71 . . 1 . . . . . . . . 5459 1 129 . 1 1 13 13 ALA C C 13 177.18 . . 1 . . . . . . . . 5459 1 130 . 1 1 13 13 ALA CA C 13 50.97 . . 1 . . . . . . . . 5459 1 131 . 1 1 13 13 ALA CB C 13 21.73 . . 1 . . . . . . . . 5459 1 132 . 1 1 13 13 ALA N N 15 122.93 . . 1 . . . . . . . . 5459 1 133 . 1 1 14 14 GLU H H 1 8.54 . . 1 . . . . . . . . 5459 1 134 . 1 1 14 14 GLU HA H 1 4.36 . . 1 . . . . . . . . 5459 1 135 . 1 1 14 14 GLU HB2 H 1 2.03 . . 1 . . . . . . . . 5459 1 136 . 1 1 14 14 GLU HB3 H 1 2.03 . . 1 . . . . . . . . 5459 1 137 . 1 1 14 14 GLU HG2 H 1 2.27 . . 1 . . . . . . . . 5459 1 138 . 1 1 14 14 GLU HG3 H 1 2.39 . . 1 . . . . . . . . 5459 1 139 . 1 1 14 14 GLU C C 13 176.71 . . 1 . . . . . . . . 5459 1 140 . 1 1 14 14 GLU CA C 13 57.21 . . 1 . . . . . . . . 5459 1 141 . 1 1 14 14 GLU CB C 13 30.49 . . 1 . . . . . . . . 5459 1 142 . 1 1 14 14 GLU CG C 13 36.53 . . 1 . . . . . . . . 5459 1 143 . 1 1 14 14 GLU CD C 13 183.24 . . 1 . . . . . . . . 5459 1 144 . 1 1 14 14 GLU N N 15 119.49 . . 1 . . . . . . . . 5459 1 145 . 1 1 15 15 LEU H H 1 8.43 . . 1 . . . . . . . . 5459 1 146 . 1 1 15 15 LEU HA H 1 4.37 . . 1 . . . . . . . . 5459 1 147 . 1 1 15 15 LEU HB2 H 1 1.27 . . 1 . . . . . . . . 5459 1 148 . 1 1 15 15 LEU HB3 H 1 1.56 . . 1 . . . . . . . . 5459 1 149 . 1 1 15 15 LEU HG H 1 1.28 . . 1 . . . . . . . . 5459 1 150 . 1 1 15 15 LEU HD11 H 1 0.39 . . 1 . . . . . . . . 5459 1 151 . 1 1 15 15 LEU HD12 H 1 0.39 . . 1 . . . . . . . . 5459 1 152 . 1 1 15 15 LEU HD13 H 1 0.39 . . 1 . . . . . . . . 5459 1 153 . 1 1 15 15 LEU HD21 H 1 0.32 . . 1 . . . . . . . . 5459 1 154 . 1 1 15 15 LEU HD22 H 1 0.32 . . 1 . . . . . . . . 5459 1 155 . 1 1 15 15 LEU HD23 H 1 0.32 . . 1 . . . . . . . . 5459 1 156 . 1 1 15 15 LEU C C 13 176.49 . . 1 . . . . . . . . 5459 1 157 . 1 1 15 15 LEU CA C 13 55.04 . . 1 . . . . . . . . 5459 1 158 . 1 1 15 15 LEU CB C 13 41.81 . . 1 . . . . . . . . 5459 1 159 . 1 1 15 15 LEU CG C 13 27.78 . . 1 . . . . . . . . 5459 1 160 . 1 1 15 15 LEU CD1 C 13 24.34 . . 1 . . . . . . . . 5459 1 161 . 1 1 15 15 LEU CD2 C 13 24.36 . . 1 . . . . . . . . 5459 1 162 . 1 1 15 15 LEU N N 15 125.27 . . 1 . . . . . . . . 5459 1 163 . 1 1 16 16 GLU H H 1 8.94 . . 1 . . . . . . . . 5459 1 164 . 1 1 16 16 GLU HA H 1 4.51 . . 1 . . . . . . . . 5459 1 165 . 1 1 16 16 GLU HB2 H 1 1.94 . . 1 . . . . . . . . 5459 1 166 . 1 1 16 16 GLU HB3 H 1 2.21 . . 1 . . . . . . . . 5459 1 167 . 1 1 16 16 GLU HG2 H 1 2.43 . . 2 . . . . . . . . 5459 1 168 . 1 1 16 16 GLU HG3 H 1 2.34 . . 2 . . . . . . . . 5459 1 169 . 1 1 16 16 GLU C C 13 176.92 . . 1 . . . . . . . . 5459 1 170 . 1 1 16 16 GLU CA C 13 55.83 . . 1 . . . . . . . . 5459 1 171 . 1 1 16 16 GLU CB C 13 31.26 . . 1 . . . . . . . . 5459 1 172 . 1 1 16 16 GLU CG C 13 36.35 . . 1 . . . . . . . . 5459 1 173 . 1 1 16 16 GLU CD C 13 183.83 . . 1 . . . . . . . . 5459 1 174 . 1 1 16 16 GLU N N 15 124.53 . . 1 . . . . . . . . 5459 1 175 . 1 1 17 17 ASP H H 1 8.57 . . 1 . . . . . . . . 5459 1 176 . 1 1 17 17 ASP HA H 1 4.56 . . 1 . . . . . . . . 5459 1 177 . 1 1 17 17 ASP HB2 H 1 2.75 . . 1 . . . . . . . . 5459 1 178 . 1 1 17 17 ASP HB3 H 1 2.75 . . 1 . . . . . . . . 5459 1 179 . 1 1 17 17 ASP C C 13 177.23 . . 1 . . . . . . . . 5459 1 180 . 1 1 17 17 ASP CA C 13 55.86 . . 1 . . . . . . . . 5459 1 181 . 1 1 17 17 ASP CB C 13 41.11 . . 1 . . . . . . . . 5459 1 182 . 1 1 17 17 ASP CG C 13 179.81 . . 1 . . . . . . . . 5459 1 183 . 1 1 17 17 ASP N N 15 121.48 . . 1 . . . . . . . . 5459 1 184 . 1 1 18 18 GLY H H 1 8.57 . . 1 . . . . . . . . 5459 1 185 . 1 1 18 18 GLY HA2 H 1 3.90 . . 1 . . . . . . . . 5459 1 186 . 1 1 18 18 GLY HA3 H 1 4.30 . . 1 . . . . . . . . 5459 1 187 . 1 1 18 18 GLY C C 13 174.97 . . 1 . . . . . . . . 5459 1 188 . 1 1 18 18 GLY CA C 13 45.64 . . 1 . . . . . . . . 5459 1 189 . 1 1 18 18 GLY N N 15 111.33 . . 1 . . . . . . . . 5459 1 190 . 1 1 19 19 GLU H H 1 8.01 . . 1 . . . . . . . . 5459 1 191 . 1 1 19 19 GLU HA H 1 4.51 . . 1 . . . . . . . . 5459 1 192 . 1 1 19 19 GLU HB2 H 1 2.36 . . 1 . . . . . . . . 5459 1 193 . 1 1 19 19 GLU HB3 H 1 2.18 . . 1 . . . . . . . . 5459 1 194 . 1 1 19 19 GLU HG2 H 1 2.45 . . 2 . . . . . . . . 5459 1 195 . 1 1 19 19 GLU HG3 H 1 2.38 . . 2 . . . . . . . . 5459 1 196 . 1 1 19 19 GLU C C 13 176.74 . . 1 . . . . . . . . 5459 1 197 . 1 1 19 19 GLU CA C 13 56.45 . . 1 . . . . . . . . 5459 1 198 . 1 1 19 19 GLU CB C 13 30.89 . . 1 . . . . . . . . 5459 1 199 . 1 1 19 19 GLU CG C 13 37.05 . . 1 . . . . . . . . 5459 1 200 . 1 1 19 19 GLU CD C 13 183.63 . . 1 . . . . . . . . 5459 1 201 . 1 1 19 19 GLU N N 15 119.72 . . 1 . . . . . . . . 5459 1 202 . 1 1 20 20 GLU H H 1 8.68 . . 1 . . . . . . . . 5459 1 203 . 1 1 20 20 GLU HA H 1 4.44 . . 1 . . . . . . . . 5459 1 204 . 1 1 20 20 GLU HB2 H 1 2.15 . . 1 . . . . . . . . 5459 1 205 . 1 1 20 20 GLU HB3 H 1 2.23 . . 1 . . . . . . . . 5459 1 206 . 1 1 20 20 GLU HG2 H 1 2.47 . . 1 . . . . . . . . 5459 1 207 . 1 1 20 20 GLU HG3 H 1 2.36 . . 1 . . . . . . . . 5459 1 208 . 1 1 20 20 GLU C C 13 175.90 . . 1 . . . . . . . . 5459 1 209 . 1 1 20 20 GLU CA C 13 57.00 . . 1 . . . . . . . . 5459 1 210 . 1 1 20 20 GLU CB C 13 30.02 . . 1 . . . . . . . . 5459 1 211 . 1 1 20 20 GLU CG C 13 36.35 . . 1 . . . . . . . . 5459 1 212 . 1 1 20 20 GLU CD C 13 183.77 . . 1 . . . . . . . . 5459 1 213 . 1 1 20 20 GLU N N 15 121.98 . . 1 . . . . . . . . 5459 1 214 . 1 1 21 21 ALA H H 1 8.40 . . 1 . . . . . . . . 5459 1 215 . 1 1 21 21 ALA HA H 1 4.84 . . 1 . . . . . . . . 5459 1 216 . 1 1 21 21 ALA HB1 H 1 1.22 . . 1 . . . . . . . . 5459 1 217 . 1 1 21 21 ALA HB2 H 1 1.22 . . 1 . . . . . . . . 5459 1 218 . 1 1 21 21 ALA HB3 H 1 1.22 . . 1 . . . . . . . . 5459 1 219 . 1 1 21 21 ALA C C 13 176.66 . . 1 . . . . . . . . 5459 1 220 . 1 1 21 21 ALA CA C 13 51.27 . . 1 . . . . . . . . 5459 1 221 . 1 1 21 21 ALA CB C 13 21.76 . . 1 . . . . . . . . 5459 1 222 . 1 1 21 21 ALA N N 15 128.46 . . 1 . . . . . . . . 5459 1 223 . 1 1 22 22 ARG H H 1 8.66 . . 1 . . . . . . . . 5459 1 224 . 1 1 22 22 ARG HA H 1 4.73 . . 1 . . . . . . . . 5459 1 225 . 1 1 22 22 ARG HB2 H 1 1.66 . . 1 . . . . . . . . 5459 1 226 . 1 1 22 22 ARG HB3 H 1 1.74 . . 1 . . . . . . . . 5459 1 227 . 1 1 22 22 ARG HG2 H 1 1.73 . . 1 . . . . . . . . 5459 1 228 . 1 1 22 22 ARG HG3 H 1 1.60 . . 1 . . . . . . . . 5459 1 229 . 1 1 22 22 ARG HD2 H 1 3.36 . . 2 . . . . . . . . 5459 1 230 . 1 1 22 22 ARG HD3 H 1 3.26 . . 2 . . . . . . . . 5459 1 231 . 1 1 22 22 ARG C C 13 173.91 . . 1 . . . . . . . . 5459 1 232 . 1 1 22 22 ARG CA C 13 54.65 . . 1 . . . . . . . . 5459 1 233 . 1 1 22 22 ARG CB C 13 32.84 . . 1 . . . . . . . . 5459 1 234 . 1 1 22 22 ARG CG C 13 27.10 . . 1 . . . . . . . . 5459 1 235 . 1 1 22 22 ARG CD C 13 42.94 . . 1 . . . . . . . . 5459 1 236 . 1 1 22 22 ARG N N 15 119.96 . . 1 . . . . . . . . 5459 1 237 . 1 1 23 23 PHE H H 1 8.70 . . 1 . . . . . . . . 5459 1 238 . 1 1 23 23 PHE HA H 1 5.32 . . 1 . . . . . . . . 5459 1 239 . 1 1 23 23 PHE HB2 H 1 2.88 . . 1 . . . . . . . . 5459 1 240 . 1 1 23 23 PHE HB3 H 1 2.75 . . 1 . . . . . . . . 5459 1 241 . 1 1 23 23 PHE HD1 H 1 7.23 . . 1 . . . . . . . . 5459 1 242 . 1 1 23 23 PHE HD2 H 1 7.23 . . 1 . . . . . . . . 5459 1 243 . 1 1 23 23 PHE HE1 H 1 7.31 . . 1 . . . . . . . . 5459 1 244 . 1 1 23 23 PHE HE2 H 1 7.31 . . 1 . . . . . . . . 5459 1 245 . 1 1 23 23 PHE HZ H 1 7.25 . . 1 . . . . . . . . 5459 1 246 . 1 1 23 23 PHE C C 13 176.63 . . 1 . . . . . . . . 5459 1 247 . 1 1 23 23 PHE CA C 13 56.38 . . 1 . . . . . . . . 5459 1 248 . 1 1 23 23 PHE CB C 13 40.91 . . 1 . . . . . . . . 5459 1 249 . 1 1 23 23 PHE CG C 13 132.19 . . 1 . . . . . . . . 5459 1 250 . 1 1 23 23 PHE CD1 C 13 131.24 . . 3 . . . . . . . . 5459 1 251 . 1 1 23 23 PHE CD2 C 13 132.19 . . 3 . . . . . . . . 5459 1 252 . 1 1 23 23 PHE CE1 C 13 132.19 . . 3 . . . . . . . . 5459 1 253 . 1 1 23 23 PHE CE2 C 13 129.82 . . 3 . . . . . . . . 5459 1 254 . 1 1 23 23 PHE N N 15 122.77 . . 1 . . . . . . . . 5459 1 255 . 1 1 24 24 LEU H H 1 8.94 . . 1 . . . . . . . . 5459 1 256 . 1 1 24 24 LEU HA H 1 4.87 . . 1 . . . . . . . . 5459 1 257 . 1 1 24 24 LEU HB2 H 1 2.51 . . 1 . . . . . . . . 5459 1 258 . 1 1 24 24 LEU HB3 H 1 1.97 . . 1 . . . . . . . . 5459 1 259 . 1 1 24 24 LEU HG H 1 2.16 . . 1 . . . . . . . . 5459 1 260 . 1 1 24 24 LEU HD11 H 1 1.31 . . 1 . . . . . . . . 5459 1 261 . 1 1 24 24 LEU HD12 H 1 1.31 . . 1 . . . . . . . . 5459 1 262 . 1 1 24 24 LEU HD13 H 1 1.31 . . 1 . . . . . . . . 5459 1 263 . 1 1 24 24 LEU HD21 H 1 1.04 . . 1 . . . . . . . . 5459 1 264 . 1 1 24 24 LEU HD22 H 1 1.04 . . 1 . . . . . . . . 5459 1 265 . 1 1 24 24 LEU HD23 H 1 1.04 . . 1 . . . . . . . . 5459 1 266 . 1 1 24 24 LEU C C 13 176.00 . . 1 . . . . . . . . 5459 1 267 . 1 1 24 24 LEU CA C 13 52.71 . . 1 . . . . . . . . 5459 1 268 . 1 1 24 24 LEU CB C 13 40.32 . . 1 . . . . . . . . 5459 1 269 . 1 1 24 24 LEU CG C 13 27.51 . . 1 . . . . . . . . 5459 1 270 . 1 1 24 24 LEU CD1 C 13 26.56 . . 1 . . . . . . . . 5459 1 271 . 1 1 24 24 LEU CD2 C 13 22.83 . . 1 . . . . . . . . 5459 1 272 . 1 1 24 24 LEU N N 15 126.00 . . 1 . . . . . . . . 5459 1 273 . 1 1 25 25 PRO HA H 1 4.43 . . 1 . . . . . . . . 5459 1 274 . 1 1 25 25 PRO HB2 H 1 2.12 . . 1 . . . . . . . . 5459 1 275 . 1 1 25 25 PRO HB3 H 1 2.49 . . 1 . . . . . . . . 5459 1 276 . 1 1 25 25 PRO HG2 H 1 2.25 . . 1 . . . . . . . . 5459 1 277 . 1 1 25 25 PRO HG3 H 1 2.25 . . 1 . . . . . . . . 5459 1 278 . 1 1 25 25 PRO HD2 H 1 4.04 . . 1 . . . . . . . . 5459 1 279 . 1 1 25 25 PRO HD3 H 1 4.01 . . 1 . . . . . . . . 5459 1 280 . 1 1 25 25 PRO C C 13 178.90 . . 1 . . . . . . . . 5459 1 281 . 1 1 25 25 PRO CA C 13 64.83 . . 1 . . . . . . . . 5459 1 282 . 1 1 25 25 PRO CB C 13 32.56 . . 1 . . . . . . . . 5459 1 283 . 1 1 25 25 PRO CG C 13 27.76 . . 1 . . . . . . . . 5459 1 284 . 1 1 25 25 PRO CD C 13 51.02 . . 1 . . . . . . . . 5459 1 285 . 1 1 26 26 ARG H H 1 9.09 . . 1 . . . . . . . . 5459 1 286 . 1 1 26 26 ARG HA H 1 4.18 . . 1 . . . . . . . . 5459 1 287 . 1 1 26 26 ARG HB2 H 1 2.10 . . 1 . . . . . . . . 5459 1 288 . 1 1 26 26 ARG HB3 H 1 2.03 . . 1 . . . . . . . . 5459 1 289 . 1 1 26 26 ARG HG2 H 1 1.67 . . 1 . . . . . . . . 5459 1 290 . 1 1 26 26 ARG HG3 H 1 1.89 . . 1 . . . . . . . . 5459 1 291 . 1 1 26 26 ARG HD2 H 1 3.36 . . 2 . . . . . . . . 5459 1 292 . 1 1 26 26 ARG HD3 H 1 3.32 . . 2 . . . . . . . . 5459 1 293 . 1 1 26 26 ARG C C 13 177.08 . . 1 . . . . . . . . 5459 1 294 . 1 1 26 26 ARG CA C 13 59.63 . . 1 . . . . . . . . 5459 1 295 . 1 1 26 26 ARG CB C 13 30.24 . . 1 . . . . . . . . 5459 1 296 . 1 1 26 26 ARG CG C 13 27.90 . . 1 . . . . . . . . 5459 1 297 . 1 1 26 26 ARG CD C 13 43.60 . . 1 . . . . . . . . 5459 1 298 . 1 1 26 26 ARG N N 15 115.59 . . 1 . . . . . . . . 5459 1 299 . 1 1 27 27 CYS H H 1 7.39 . . 1 . . . . . . . . 5459 1 300 . 1 1 27 27 CYS HA H 1 4.77 . . 1 . . . . . . . . 5459 1 301 . 1 1 27 27 CYS HB2 H 1 2.75 . . 1 . . . . . . . . 5459 1 302 . 1 1 27 27 CYS HB3 H 1 2.87 . . 1 . . . . . . . . 5459 1 303 . 1 1 27 27 CYS C C 13 176.24 . . 1 . . . . . . . . 5459 1 304 . 1 1 27 27 CYS CA C 13 57.00 . . 1 . . . . . . . . 5459 1 305 . 1 1 27 27 CYS CB C 13 33.53 . . 1 . . . . . . . . 5459 1 306 . 1 1 27 27 CYS N N 15 112.05 . . 1 . . . . . . . . 5459 1 307 . 1 1 28 28 GLY H H 1 8.10 . . 1 . . . . . . . . 5459 1 308 . 1 1 28 28 GLY HA2 H 1 3.92 . . 1 . . . . . . . . 5459 1 309 . 1 1 28 28 GLY HA3 H 1 4.02 . . 1 . . . . . . . . 5459 1 310 . 1 1 28 28 GLY C C 13 174.31 . . 1 . . . . . . . . 5459 1 311 . 1 1 28 28 GLY CA C 13 46.36 . . 1 . . . . . . . . 5459 1 312 . 1 1 28 28 GLY N N 15 111.66 . . 1 . . . . . . . . 5459 1 313 . 1 1 29 29 HIS H H 1 8.07 . . 1 . . . . . . . . 5459 1 314 . 1 1 29 29 HIS HA H 1 4.67 . . 1 . . . . . . . . 5459 1 315 . 1 1 29 29 HIS HB2 H 1 3.58 . . 1 . . . . . . . . 5459 1 316 . 1 1 29 29 HIS HB3 H 1 2.93 . . 1 . . . . . . . . 5459 1 317 . 1 1 29 29 HIS HD1 H 1 7.38 . . 1 . . . . . . . . 5459 1 318 . 1 1 29 29 HIS HD2 H 1 7.38 . . 1 . . . . . . . . 5459 1 319 . 1 1 29 29 HIS HE1 H 1 7.97 . . 1 . . . . . . . . 5459 1 320 . 1 1 29 29 HIS HE2 H 1 7.97 . . 1 . . . . . . . . 5459 1 321 . 1 1 29 29 HIS C C 13 173.92 . . 1 . . . . . . . . 5459 1 322 . 1 1 29 29 HIS CA C 13 59.47 . . 1 . . . . . . . . 5459 1 323 . 1 1 29 29 HIS CB C 13 31.53 . . 1 . . . . . . . . 5459 1 324 . 1 1 29 29 HIS CD2 C 13 119.19 . . 1 . . . . . . . . 5459 1 325 . 1 1 29 29 HIS CE1 C 13 138.08 . . 1 . . . . . . . . 5459 1 326 . 1 1 29 29 HIS N N 15 121.40 . . 1 . . . . . . . . 5459 1 327 . 1 1 30 30 GLY H H 1 8.21 . . 1 . . . . . . . . 5459 1 328 . 1 1 30 30 GLY HA2 H 1 4.70 . . 1 . . . . . . . . 5459 1 329 . 1 1 30 30 GLY HA3 H 1 2.62 . . 1 . . . . . . . . 5459 1 330 . 1 1 30 30 GLY C C 13 171.39 . . 1 . . . . . . . . 5459 1 331 . 1 1 30 30 GLY CA C 13 44.54 . . 1 . . . . . . . . 5459 1 332 . 1 1 30 30 GLY N N 15 107.77 . . 1 . . . . . . . . 5459 1 333 . 1 1 31 31 PHE H H 1 7.86 . . 1 . . . . . . . . 5459 1 334 . 1 1 31 31 PHE HA H 1 5.05 . . 1 . . . . . . . . 5459 1 335 . 1 1 31 31 PHE HB2 H 1 2.41 . . 1 . . . . . . . . 5459 1 336 . 1 1 31 31 PHE HB3 H 1 3.63 . . 1 . . . . . . . . 5459 1 337 . 1 1 31 31 PHE HD1 H 1 7.38 . . 1 . . . . . . . . 5459 1 338 . 1 1 31 31 PHE HD2 H 1 7.38 . . 1 . . . . . . . . 5459 1 339 . 1 1 31 31 PHE HE1 H 1 7.18 . . 1 . . . . . . . . 5459 1 340 . 1 1 31 31 PHE HE2 H 1 7.18 . . 1 . . . . . . . . 5459 1 341 . 1 1 31 31 PHE HZ H 1 7.40 . . 1 . . . . . . . . 5459 1 342 . 1 1 31 31 PHE C C 13 176.25 . . 1 . . . . . . . . 5459 1 343 . 1 1 31 31 PHE CA C 13 56.01 . . 1 . . . . . . . . 5459 1 344 . 1 1 31 31 PHE CB C 13 45.34 . . 1 . . . . . . . . 5459 1 345 . 1 1 31 31 PHE CD1 C 13 132.71 . . 1 . . . . . . . . 5459 1 346 . 1 1 31 31 PHE CD2 C 13 132.71 . . 1 . . . . . . . . 5459 1 347 . 1 1 31 31 PHE CE1 C 13 131.12 . . 1 . . . . . . . . 5459 1 348 . 1 1 31 31 PHE CE2 C 13 131.12 . . 1 . . . . . . . . 5459 1 349 . 1 1 31 31 PHE CZ C 13 129.84 . . 1 . . . . . . . . 5459 1 350 . 1 1 31 31 PHE N N 15 114.23 . . 1 . . . . . . . . 5459 1 351 . 1 1 32 32 HIS H H 1 8.45 . . 1 . . . . . . . . 5459 1 352 . 1 1 32 32 HIS HA H 1 4.69 . . 1 . . . . . . . . 5459 1 353 . 1 1 32 32 HIS HB2 H 1 4.09 . . 1 . . . . . . . . 5459 1 354 . 1 1 32 32 HIS HB3 H 1 3.75 . . 1 . . . . . . . . 5459 1 355 . 1 1 32 32 HIS HD1 H 1 7.39 . . 1 . . . . . . . . 5459 1 356 . 1 1 32 32 HIS HD2 H 1 7.39 . . 1 . . . . . . . . 5459 1 357 . 1 1 32 32 HIS HE1 H 1 7.43 . . 1 . . . . . . . . 5459 1 358 . 1 1 32 32 HIS HE2 H 1 7.43 . . 1 . . . . . . . . 5459 1 359 . 1 1 32 32 HIS C C 13 177.89 . . 1 . . . . . . . . 5459 1 360 . 1 1 32 32 HIS CA C 13 59.88 . . 1 . . . . . . . . 5459 1 361 . 1 1 32 32 HIS CB C 13 30.96 . . 1 . . . . . . . . 5459 1 362 . 1 1 32 32 HIS CD2 C 13 119.30 . . 1 . . . . . . . . 5459 1 363 . 1 1 32 32 HIS CE1 C 13 138.36 . . 1 . . . . . . . . 5459 1 364 . 1 1 32 32 HIS N N 15 118.66 . . 1 . . . . . . . . 5459 1 365 . 1 1 33 33 ALA H H 1 9.16 . . 1 . . . . . . . . 5459 1 366 . 1 1 33 33 ALA HA H 1 3.97 . . 1 . . . . . . . . 5459 1 367 . 1 1 33 33 ALA HB1 H 1 1.50 . . 1 . . . . . . . . 5459 1 368 . 1 1 33 33 ALA HB2 H 1 1.50 . . 1 . . . . . . . . 5459 1 369 . 1 1 33 33 ALA HB3 H 1 1.50 . . 1 . . . . . . . . 5459 1 370 . 1 1 33 33 ALA C C 13 179.40 . . 1 . . . . . . . . 5459 1 371 . 1 1 33 33 ALA CA C 13 56.44 . . 1 . . . . . . . . 5459 1 372 . 1 1 33 33 ALA CB C 13 18.10 . . 1 . . . . . . . . 5459 1 373 . 1 1 33 33 ALA N N 15 128.18 . . 1 . . . . . . . . 5459 1 374 . 1 1 34 34 GLU H H 1 9.33 . . 1 . . . . . . . . 5459 1 375 . 1 1 34 34 GLU HA H 1 4.26 . . 1 . . . . . . . . 5459 1 376 . 1 1 34 34 GLU HB2 H 1 2.18 . . 1 . . . . . . . . 5459 1 377 . 1 1 34 34 GLU HB3 H 1 2.18 . . 1 . . . . . . . . 5459 1 378 . 1 1 34 34 GLU HG2 H 1 2.48 . . 1 . . . . . . . . 5459 1 379 . 1 1 34 34 GLU HG3 H 1 2.48 . . 1 . . . . . . . . 5459 1 380 . 1 1 34 34 GLU C C 13 179.22 . . 1 . . . . . . . . 5459 1 381 . 1 1 34 34 GLU CA C 13 59.51 . . 1 . . . . . . . . 5459 1 382 . 1 1 34 34 GLU CB C 13 29.53 . . 1 . . . . . . . . 5459 1 383 . 1 1 34 34 GLU CG C 13 36.72 . . 1 . . . . . . . . 5459 1 384 . 1 1 34 34 GLU CD C 13 184.02 . . 1 . . . . . . . . 5459 1 385 . 1 1 34 34 GLU N N 15 114.63 . . 1 . . . . . . . . 5459 1 386 . 1 1 35 35 CYS H H 1 6.98 . . 1 . . . . . . . . 5459 1 387 . 1 1 35 35 CYS HA H 1 4.27 . . 1 . . . . . . . . 5459 1 388 . 1 1 35 35 CYS HB2 H 1 3.35 . . 1 . . . . . . . . 5459 1 389 . 1 1 35 35 CYS HB3 H 1 2.93 . . 1 . . . . . . . . 5459 1 390 . 1 1 35 35 CYS C C 13 177.42 . . 1 . . . . . . . . 5459 1 391 . 1 1 35 35 CYS CA C 13 63.59 . . 1 . . . . . . . . 5459 1 392 . 1 1 35 35 CYS CB C 13 29.69 . . 1 . . . . . . . . 5459 1 393 . 1 1 35 35 CYS N N 15 117.05 . . 1 . . . . . . . . 5459 1 394 . 1 1 36 36 VAL H H 1 7.92 . . 1 . . . . . . . . 5459 1 395 . 1 1 36 36 VAL HA H 1 4.06 . . 1 . . . . . . . . 5459 1 396 . 1 1 36 36 VAL HB H 1 1.89 . . 1 . . . . . . . . 5459 1 397 . 1 1 36 36 VAL HG11 H 1 1.02 . . 1 . . . . . . . . 5459 1 398 . 1 1 36 36 VAL HG12 H 1 1.02 . . 1 . . . . . . . . 5459 1 399 . 1 1 36 36 VAL HG13 H 1 1.02 . . 1 . . . . . . . . 5459 1 400 . 1 1 36 36 VAL HG21 H 1 0.78 . . 1 . . . . . . . . 5459 1 401 . 1 1 36 36 VAL HG22 H 1 0.78 . . 1 . . . . . . . . 5459 1 402 . 1 1 36 36 VAL HG23 H 1 0.78 . . 1 . . . . . . . . 5459 1 403 . 1 1 36 36 VAL C C 13 176.28 . . 1 . . . . . . . . 5459 1 404 . 1 1 36 36 VAL CA C 13 64.62 . . 1 . . . . . . . . 5459 1 405 . 1 1 36 36 VAL CB C 13 32.51 . . 1 . . . . . . . . 5459 1 406 . 1 1 36 36 VAL CG1 C 13 20.98 . . 1 . . . . . . . . 5459 1 407 . 1 1 36 36 VAL CG2 C 13 23.41 . . 1 . . . . . . . . 5459 1 408 . 1 1 36 36 VAL N N 15 117.32 . . 1 . . . . . . . . 5459 1 409 . 1 1 37 37 ASP H H 1 8.29 . . 1 . . . . . . . . 5459 1 410 . 1 1 37 37 ASP HA H 1 4.53 . . 1 . . . . . . . . 5459 1 411 . 1 1 37 37 ASP HB2 H 1 2.84 . . 1 . . . . . . . . 5459 1 412 . 1 1 37 37 ASP HB3 H 1 2.69 . . 1 . . . . . . . . 5459 1 413 . 1 1 37 37 ASP C C 13 179.53 . . 1 . . . . . . . . 5459 1 414 . 1 1 37 37 ASP CA C 13 57.98 . . 1 . . . . . . . . 5459 1 415 . 1 1 37 37 ASP CB C 13 40.27 . . 1 . . . . . . . . 5459 1 416 . 1 1 37 37 ASP CG C 13 179.20 . . 1 . . . . . . . . 5459 1 417 . 1 1 37 37 ASP N N 15 123.00 . . 1 . . . . . . . . 5459 1 418 . 1 1 38 38 MET H H 1 7.91 . . 1 . . . . . . . . 5459 1 419 . 1 1 38 38 MET HA H 1 4.53 . . 1 . . . . . . . . 5459 1 420 . 1 1 38 38 MET HB2 H 1 2.38 . . 1 . . . . . . . . 5459 1 421 . 1 1 38 38 MET HB3 H 1 2.38 . . 1 . . . . . . . . 5459 1 422 . 1 1 38 38 MET HG2 H 1 2.87 . . 2 . . . . . . . . 5459 1 423 . 1 1 38 38 MET HG3 H 1 2.69 . . 2 . . . . . . . . 5459 1 424 . 1 1 38 38 MET C C 13 179.60 . . 1 . . . . . . . . 5459 1 425 . 1 1 38 38 MET CA C 13 58.59 . . 1 . . . . . . . . 5459 1 426 . 1 1 38 38 MET CB C 13 32.00 . . 1 . . . . . . . . 5459 1 427 . 1 1 38 38 MET CG C 13 32.05 . . 1 . . . . . . . . 5459 1 428 . 1 1 38 38 MET N N 15 118.23 . . 1 . . . . . . . . 5459 1 429 . 1 1 39 39 TRP H H 1 8.37 . . 1 . . . . . . . . 5459 1 430 . 1 1 39 39 TRP HA H 1 4.46 . . 1 . . . . . . . . 5459 1 431 . 1 1 39 39 TRP HB2 H 1 3.45 . . 1 . . . . . . . . 5459 1 432 . 1 1 39 39 TRP HB3 H 1 3.41 . . 1 . . . . . . . . 5459 1 433 . 1 1 39 39 TRP C C 13 179.19 . . 1 . . . . . . . . 5459 1 434 . 1 1 39 39 TRP CA C 13 60.83 . . 1 . . . . . . . . 5459 1 435 . 1 1 39 39 TRP CB C 13 29.76 . . 1 . . . . . . . . 5459 1 436 . 1 1 39 39 TRP N N 15 122.91 . . 1 . . . . . . . . 5459 1 437 . 1 1 39 39 TRP NE1 N 15 129.49 . . 1 . . . . . . . . 5459 1 438 . 1 1 40 40 LEU H H 1 8.84 . . 1 . . . . . . . . 5459 1 439 . 1 1 40 40 LEU HA H 1 4.79 . . 1 . . . . . . . . 5459 1 440 . 1 1 40 40 LEU HB2 H 1 2.03 . . 1 . . . . . . . . 5459 1 441 . 1 1 40 40 LEU HB3 H 1 1.79 . . 1 . . . . . . . . 5459 1 442 . 1 1 40 40 LEU HG H 1 2.08 . . 1 . . . . . . . . 5459 1 443 . 1 1 40 40 LEU HD11 H 1 1.01 . . 1 . . . . . . . . 5459 1 444 . 1 1 40 40 LEU HD12 H 1 1.01 . . 1 . . . . . . . . 5459 1 445 . 1 1 40 40 LEU HD13 H 1 1.01 . . 1 . . . . . . . . 5459 1 446 . 1 1 40 40 LEU HD21 H 1 0.99 . . 1 . . . . . . . . 5459 1 447 . 1 1 40 40 LEU HD22 H 1 0.99 . . 1 . . . . . . . . 5459 1 448 . 1 1 40 40 LEU HD23 H 1 0.99 . . 1 . . . . . . . . 5459 1 449 . 1 1 40 40 LEU C C 13 178.02 . . 1 . . . . . . . . 5459 1 450 . 1 1 40 40 LEU CA C 13 56.28 . . 1 . . . . . . . . 5459 1 451 . 1 1 40 40 LEU CB C 13 41.03 . . 1 . . . . . . . . 5459 1 452 . 1 1 40 40 LEU CG C 13 27.33 . . 1 . . . . . . . . 5459 1 453 . 1 1 40 40 LEU CD1 C 13 26.08 . . 1 . . . . . . . . 5459 1 454 . 1 1 40 40 LEU CD2 C 13 22.71 . . 1 . . . . . . . . 5459 1 455 . 1 1 40 40 LEU N N 15 118.29 . . 1 . . . . . . . . 5459 1 456 . 1 1 41 41 GLY H H 1 7.82 . . 1 . . . . . . . . 5459 1 457 . 1 1 41 41 GLY HA2 H 1 4.01 . . 1 . . . . . . . . 5459 1 458 . 1 1 41 41 GLY HA3 H 1 4.10 . . 1 . . . . . . . . 5459 1 459 . 1 1 41 41 GLY C C 13 175.17 . . 1 . . . . . . . . 5459 1 460 . 1 1 41 41 GLY CA C 13 46.66 . . 1 . . . . . . . . 5459 1 461 . 1 1 41 41 GLY N N 15 105.81 . . 1 . . . . . . . . 5459 1 462 . 1 1 42 42 SER H H 1 7.42 . . 1 . . . . . . . . 5459 1 463 . 1 1 42 42 SER HA H 1 4.56 . . 1 . . . . . . . . 5459 1 464 . 1 1 42 42 SER HB2 H 1 3.53 . . 2 . . . . . . . . 5459 1 465 . 1 1 42 42 SER HB3 H 1 3.51 . . 2 . . . . . . . . 5459 1 466 . 1 1 42 42 SER C C 13 172.87 . . 1 . . . . . . . . 5459 1 467 . 1 1 42 42 SER CA C 13 58.34 . . 1 . . . . . . . . 5459 1 468 . 1 1 42 42 SER CB C 13 64.73 . . 1 . . . . . . . . 5459 1 469 . 1 1 42 42 SER N N 15 110.74 . . 1 . . . . . . . . 5459 1 470 . 1 1 43 43 HIS H H 1 7.75 . . 1 . . . . . . . . 5459 1 471 . 1 1 43 43 HIS HA H 1 4.76 . . 1 . . . . . . . . 5459 1 472 . 1 1 43 43 HIS HB2 H 1 2.11 . . 1 . . . . . . . . 5459 1 473 . 1 1 43 43 HIS HB3 H 1 3.04 . . 1 . . . . . . . . 5459 1 474 . 1 1 43 43 HIS HD1 H 1 6.50 . . 1 . . . . . . . . 5459 1 475 . 1 1 43 43 HIS HD2 H 1 6.50 . . 1 . . . . . . . . 5459 1 476 . 1 1 43 43 HIS HE1 H 1 7.74 . . 1 . . . . . . . . 5459 1 477 . 1 1 43 43 HIS HE2 H 1 7.74 . . 1 . . . . . . . . 5459 1 478 . 1 1 43 43 HIS C C 13 174.26 . . 1 . . . . . . . . 5459 1 479 . 1 1 43 43 HIS CA C 13 55.27 . . 1 . . . . . . . . 5459 1 480 . 1 1 43 43 HIS CB C 13 31.72 . . 1 . . . . . . . . 5459 1 481 . 1 1 43 43 HIS CD2 C 13 120.01 . . 1 . . . . . . . . 5459 1 482 . 1 1 43 43 HIS CE1 C 13 136.00 . . 1 . . . . . . . . 5459 1 483 . 1 1 43 43 HIS N N 15 117.77 . . 1 . . . . . . . . 5459 1 484 . 1 1 44 44 SER HA H 1 4.81 . . 1 . . . . . . . . 5459 1 485 . 1 1 44 44 SER HB2 H 1 4.18 . . 2 . . . . . . . . 5459 1 486 . 1 1 44 44 SER HB3 H 1 4.03 . . 2 . . . . . . . . 5459 1 487 . 1 1 44 44 SER C C 13 174.18 . . 1 . . . . . . . . 5459 1 488 . 1 1 44 44 SER CA C 13 57.76 . . 1 . . . . . . . . 5459 1 489 . 1 1 44 44 SER CB C 13 63.96 . . 1 . . . . . . . . 5459 1 490 . 1 1 45 45 THR H H 1 7.32 . . 1 . . . . . . . . 5459 1 491 . 1 1 45 45 THR HA H 1 4.94 . . 1 . . . . . . . . 5459 1 492 . 1 1 45 45 THR HB H 1 3.94 . . 1 . . . . . . . . 5459 1 493 . 1 1 45 45 THR HG21 H 1 1.21 . . 1 . . . . . . . . 5459 1 494 . 1 1 45 45 THR HG22 H 1 1.21 . . 1 . . . . . . . . 5459 1 495 . 1 1 45 45 THR HG23 H 1 1.21 . . 1 . . . . . . . . 5459 1 496 . 1 1 45 45 THR C C 13 173.11 . . 1 . . . . . . . . 5459 1 497 . 1 1 45 45 THR CA C 13 58.89 . . 1 . . . . . . . . 5459 1 498 . 1 1 45 45 THR CG2 C 13 22.41 . . 1 . . . . . . . . 5459 1 499 . 1 1 45 45 THR N N 15 108.93 . . 1 . . . . . . . . 5459 1 500 . 1 1 46 46 CYS H H 1 8.39 . . 1 . . . . . . . . 5459 1 501 . 1 1 46 46 CYS HA H 1 4.34 . . 1 . . . . . . . . 5459 1 502 . 1 1 46 46 CYS HB2 H 1 3.14 . . 1 . . . . . . . . 5459 1 503 . 1 1 46 46 CYS HB3 H 1 3.33 . . 1 . . . . . . . . 5459 1 504 . 1 1 46 46 CYS C C 13 176.64 . . 1 . . . . . . . . 5459 1 505 . 1 1 46 46 CYS CA C 13 56.61 . . 1 . . . . . . . . 5459 1 506 . 1 1 46 46 CYS CB C 13 31.75 . . 1 . . . . . . . . 5459 1 507 . 1 1 46 46 CYS N N 15 122.81 . . 1 . . . . . . . . 5459 1 508 . 1 1 47 47 PRO HA H 1 3.73 . . 1 . . . . . . . . 5459 1 509 . 1 1 47 47 PRO HB2 H 1 0.62 . . 1 . . . . . . . . 5459 1 510 . 1 1 47 47 PRO HB3 H 1 1.11 . . 1 . . . . . . . . 5459 1 511 . 1 1 47 47 PRO HG2 H 1 0.71 . . 1 . . . . . . . . 5459 1 512 . 1 1 47 47 PRO HG3 H 1 0.20 . . 1 . . . . . . . . 5459 1 513 . 1 1 47 47 PRO HD2 H 1 3.62 . . 1 . . . . . . . . 5459 1 514 . 1 1 47 47 PRO HD3 H 1 3.24 . . 1 . . . . . . . . 5459 1 515 . 1 1 47 47 PRO C C 13 176.31 . . 1 . . . . . . . . 5459 1 516 . 1 1 47 47 PRO CA C 13 64.44 . . 1 . . . . . . . . 5459 1 517 . 1 1 47 47 PRO CB C 13 31.34 . . 1 . . . . . . . . 5459 1 518 . 1 1 47 47 PRO CG C 13 25.23 . . 1 . . . . . . . . 5459 1 519 . 1 1 47 47 PRO CD C 13 50.29 . . 1 . . . . . . . . 5459 1 520 . 1 1 48 48 LEU H H 1 8.92 . . 1 . . . . . . . . 5459 1 521 . 1 1 48 48 LEU HA H 1 4.40 . . 1 . . . . . . . . 5459 1 522 . 1 1 48 48 LEU HB2 H 1 1.25 . . 1 . . . . . . . . 5459 1 523 . 1 1 48 48 LEU HB3 H 1 1.43 . . 1 . . . . . . . . 5459 1 524 . 1 1 48 48 LEU HG H 1 1.29 . . 1 . . . . . . . . 5459 1 525 . 1 1 48 48 LEU HD11 H 1 0.75 . . 1 . . . . . . . . 5459 1 526 . 1 1 48 48 LEU HD12 H 1 0.75 . . 1 . . . . . . . . 5459 1 527 . 1 1 48 48 LEU HD13 H 1 0.75 . . 1 . . . . . . . . 5459 1 528 . 1 1 48 48 LEU HD21 H 1 0.44 . . 1 . . . . . . . . 5459 1 529 . 1 1 48 48 LEU HD22 H 1 0.44 . . 1 . . . . . . . . 5459 1 530 . 1 1 48 48 LEU HD23 H 1 0.44 . . 1 . . . . . . . . 5459 1 531 . 1 1 48 48 LEU C C 13 177.58 . . 1 . . . . . . . . 5459 1 532 . 1 1 48 48 LEU CA C 13 56.73 . . 1 . . . . . . . . 5459 1 533 . 1 1 48 48 LEU CB C 13 44.05 . . 1 . . . . . . . . 5459 1 534 . 1 1 48 48 LEU CG C 13 27.54 . . 1 . . . . . . . . 5459 1 535 . 1 1 48 48 LEU CD1 C 13 24.08 . . 1 . . . . . . . . 5459 1 536 . 1 1 48 48 LEU CD2 C 13 23.74 . . 1 . . . . . . . . 5459 1 537 . 1 1 48 48 LEU N N 15 119.69 . . 1 . . . . . . . . 5459 1 538 . 1 1 49 49 CYS H H 1 8.59 . . 1 . . . . . . . . 5459 1 539 . 1 1 49 49 CYS HA H 1 4.87 . . 1 . . . . . . . . 5459 1 540 . 1 1 49 49 CYS HB2 H 1 3.43 . . 1 . . . . . . . . 5459 1 541 . 1 1 49 49 CYS HB3 H 1 2.86 . . 1 . . . . . . . . 5459 1 542 . 1 1 49 49 CYS C C 13 176.19 . . 1 . . . . . . . . 5459 1 543 . 1 1 49 49 CYS CA C 13 59.56 . . 1 . . . . . . . . 5459 1 544 . 1 1 49 49 CYS CB C 13 32.06 . . 1 . . . . . . . . 5459 1 545 . 1 1 49 49 CYS N N 15 119.15 . . 1 . . . . . . . . 5459 1 546 . 1 1 50 50 ARG H H 1 7.94 . . 1 . . . . . . . . 5459 1 547 . 1 1 50 50 ARG HA H 1 4.23 . . 1 . . . . . . . . 5459 1 548 . 1 1 50 50 ARG HB2 H 1 2.25 . . 1 . . . . . . . . 5459 1 549 . 1 1 50 50 ARG HB3 H 1 2.19 . . 1 . . . . . . . . 5459 1 550 . 1 1 50 50 ARG HG2 H 1 1.65 . . 2 . . . . . . . . 5459 1 551 . 1 1 50 50 ARG HG3 H 1 1.63 . . 2 . . . . . . . . 5459 1 552 . 1 1 50 50 ARG HD2 H 1 3.32 . . 2 . . . . . . . . 5459 1 553 . 1 1 50 50 ARG HD3 H 1 3.25 . . 2 . . . . . . . . 5459 1 554 . 1 1 50 50 ARG C C 13 174.82 . . 1 . . . . . . . . 5459 1 555 . 1 1 50 50 ARG CA C 13 58.21 . . 1 . . . . . . . . 5459 1 556 . 1 1 50 50 ARG CB C 13 27.67 . . 1 . . . . . . . . 5459 1 557 . 1 1 50 50 ARG CG C 13 27.99 . . 1 . . . . . . . . 5459 1 558 . 1 1 50 50 ARG CD C 13 43.26 . . 1 . . . . . . . . 5459 1 559 . 1 1 50 50 ARG N N 15 115.63 . . 1 . . . . . . . . 5459 1 560 . 1 1 51 51 LEU H H 1 8.04 . . 1 . . . . . . . . 5459 1 561 . 1 1 51 51 LEU HA H 1 4.55 . . 1 . . . . . . . . 5459 1 562 . 1 1 51 51 LEU HB2 H 1 1.89 . . 1 . . . . . . . . 5459 1 563 . 1 1 51 51 LEU HB3 H 1 1.61 . . 1 . . . . . . . . 5459 1 564 . 1 1 51 51 LEU HG H 1 1.98 . . 1 . . . . . . . . 5459 1 565 . 1 1 51 51 LEU HD11 H 1 1.06 . . 1 . . . . . . . . 5459 1 566 . 1 1 51 51 LEU HD12 H 1 1.06 . . 1 . . . . . . . . 5459 1 567 . 1 1 51 51 LEU HD13 H 1 1.06 . . 1 . . . . . . . . 5459 1 568 . 1 1 51 51 LEU HD21 H 1 0.99 . . 1 . . . . . . . . 5459 1 569 . 1 1 51 51 LEU HD22 H 1 0.99 . . 1 . . . . . . . . 5459 1 570 . 1 1 51 51 LEU HD23 H 1 0.99 . . 1 . . . . . . . . 5459 1 571 . 1 1 51 51 LEU C C 13 178.65 . . 1 . . . . . . . . 5459 1 572 . 1 1 51 51 LEU CA C 13 55.84 . . 1 . . . . . . . . 5459 1 573 . 1 1 51 51 LEU CB C 13 43.46 . . 1 . . . . . . . . 5459 1 574 . 1 1 51 51 LEU CG C 13 27.09 . . 1 . . . . . . . . 5459 1 575 . 1 1 51 51 LEU CD1 C 13 24.62 . . 1 . . . . . . . . 5459 1 576 . 1 1 51 51 LEU CD2 C 13 24.66 . . 1 . . . . . . . . 5459 1 577 . 1 1 51 51 LEU N N 15 121.39 . . 1 . . . . . . . . 5459 1 578 . 1 1 52 52 THR H H 1 8.35 . . 1 . . . . . . . . 5459 1 579 . 1 1 52 52 THR HA H 1 4.44 . . 1 . . . . . . . . 5459 1 580 . 1 1 52 52 THR HB H 1 4.24 . . 1 . . . . . . . . 5459 1 581 . 1 1 52 52 THR HG21 H 1 1.41 . . 1 . . . . . . . . 5459 1 582 . 1 1 52 52 THR HG22 H 1 1.41 . . 1 . . . . . . . . 5459 1 583 . 1 1 52 52 THR HG23 H 1 1.41 . . 1 . . . . . . . . 5459 1 584 . 1 1 52 52 THR C C 13 174.61 . . 1 . . . . . . . . 5459 1 585 . 1 1 52 52 THR CA C 13 63.79 . . 1 . . . . . . . . 5459 1 586 . 1 1 52 52 THR CB C 13 69.41 . . 1 . . . . . . . . 5459 1 587 . 1 1 52 52 THR CG2 C 13 22.18 . . 1 . . . . . . . . 5459 1 588 . 1 1 52 52 THR N N 15 118.87 . . 1 . . . . . . . . 5459 1 589 . 1 1 53 53 VAL H H 1 8.20 . . 1 . . . . . . . . 5459 1 590 . 1 1 53 53 VAL HA H 1 4.22 . . 1 . . . . . . . . 5459 1 591 . 1 1 53 53 VAL HB H 1 2.27 . . 1 . . . . . . . . 5459 1 592 . 1 1 53 53 VAL HG11 H 1 1.11 . . 1 . . . . . . . . 5459 1 593 . 1 1 53 53 VAL HG12 H 1 1.11 . . 1 . . . . . . . . 5459 1 594 . 1 1 53 53 VAL HG13 H 1 1.11 . . 1 . . . . . . . . 5459 1 595 . 1 1 53 53 VAL HG21 H 1 1.05 . . 1 . . . . . . . . 5459 1 596 . 1 1 53 53 VAL HG22 H 1 1.05 . . 1 . . . . . . . . 5459 1 597 . 1 1 53 53 VAL HG23 H 1 1.05 . . 1 . . . . . . . . 5459 1 598 . 1 1 53 53 VAL C C 13 176.01 . . 1 . . . . . . . . 5459 1 599 . 1 1 53 53 VAL CA C 13 63.31 . . 1 . . . . . . . . 5459 1 600 . 1 1 53 53 VAL CB C 13 32.41 . . 1 . . . . . . . . 5459 1 601 . 1 1 53 53 VAL CG1 C 13 22.04 . . 1 . . . . . . . . 5459 1 602 . 1 1 53 53 VAL CG2 C 13 21.00 . . 1 . . . . . . . . 5459 1 603 . 1 1 53 53 VAL N N 15 121.89 . . 1 . . . . . . . . 5459 1 604 . 1 1 54 54 VAL H H 1 7.89 . . 1 . . . . . . . . 5459 1 605 . 1 1 54 54 VAL HA H 1 4.30 . . 1 . . . . . . . . 5459 1 606 . 1 1 54 54 VAL HB H 1 2.15 . . 1 . . . . . . . . 5459 1 607 . 1 1 54 54 VAL HG11 H 1 1.046 . . 1 . . . . . . . . 5459 1 608 . 1 1 54 54 VAL HG12 H 1 1.046 . . 1 . . . . . . . . 5459 1 609 . 1 1 54 54 VAL HG13 H 1 1.046 . . 1 . . . . . . . . 5459 1 610 . 1 1 54 54 VAL HG21 H 1 1.054 . . 1 . . . . . . . . 5459 1 611 . 1 1 54 54 VAL HG22 H 1 1.054 . . 1 . . . . . . . . 5459 1 612 . 1 1 54 54 VAL HG23 H 1 1.054 . . 1 . . . . . . . . 5459 1 613 . 1 1 54 54 VAL C C 13 174.86 . . 1 . . . . . . . . 5459 1 614 . 1 1 54 54 VAL CA C 13 62.13 . . 1 . . . . . . . . 5459 1 615 . 1 1 54 54 VAL CB C 13 33.42 . . 1 . . . . . . . . 5459 1 616 . 1 1 54 54 VAL CG1 C 13 21.36 . . 1 . . . . . . . . 5459 1 617 . 1 1 54 54 VAL CG2 C 13 20.72 . . 1 . . . . . . . . 5459 1 618 . 1 1 54 54 VAL N N 15 121.07 . . 1 . . . . . . . . 5459 1 619 . 1 1 55 55 VAL H H 1 7.78 . . 1 . . . . . . . . 5459 1 620 . 1 1 55 55 VAL HA H 1 4.10 . . 1 . . . . . . . . 5459 1 621 . 1 1 55 55 VAL HB H 1 2.13 . . 1 . . . . . . . . 5459 1 622 . 1 1 55 55 VAL HG11 H 1 0.98 . . 1 . . . . . . . . 5459 1 623 . 1 1 55 55 VAL HG12 H 1 0.98 . . 1 . . . . . . . . 5459 1 624 . 1 1 55 55 VAL HG13 H 1 0.98 . . 1 . . . . . . . . 5459 1 625 . 1 1 55 55 VAL HG21 H 1 0.97 . . 1 . . . . . . . . 5459 1 626 . 1 1 55 55 VAL HG22 H 1 0.97 . . 1 . . . . . . . . 5459 1 627 . 1 1 55 55 VAL HG23 H 1 0.97 . . 1 . . . . . . . . 5459 1 628 . 1 1 55 55 VAL C C 13 180.83 . . 1 . . . . . . . . 5459 1 629 . 1 1 55 55 VAL CA C 13 63.85 . . 1 . . . . . . . . 5459 1 630 . 1 1 55 55 VAL CB C 13 33.60 . . 1 . . . . . . . . 5459 1 631 . 1 1 55 55 VAL CG1 C 13 21.66 . . 1 . . . . . . . . 5459 1 632 . 1 1 55 55 VAL CG2 C 13 20.34 . . 1 . . . . . . . . 5459 1 633 . 1 1 55 55 VAL N N 15 127.77 . . 1 . . . . . . . . 5459 1 stop_ save_