data_18947 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18947 _Entry.Title ; SpnDE1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-01-11 _Entry.Accession_date 2013-01-11 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Chemical shift values for the dimerization element from the first module of spinosyn synthase' _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 Jianting Zheng . T. . 18947 2 Christopher Fage . D. . 18947 3 Borries Demeler . . . 18947 4 David Hoffman . W. . 18947 5 Adrian Keatinge-Clay . T. . 18947 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Keatinge-Clay Group, University of Texas at Austin' . 18947 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18947 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 238 18947 '15N chemical shifts' 64 18947 '1H chemical shifts' 406 18947 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 . . 2014-02-17 2013-01-11 update BMRB 'update entry citation' 18947 1 . . 2013-05-30 2013-01-11 original author 'original release' 18947 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18947 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23489133 _Citation.Full_citation . _Citation.Title 'The missing linker: a dimerization motif located within polyketide synthase modules.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'ACS Chem. Biol.' _Citation.Journal_name_full 'ACS chemical biology' _Citation.Journal_volume 8 _Citation.Journal_issue 6 _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 1263 _Citation.Page_last 1270 _Citation.Year 2013 _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 Jianting Zheng . . . 18947 1 2 Christopher Fage . D. . 18947 1 3 Borries Demeler . . . 18947 1 4 David Hoffman . W. . 18947 1 5 Adrian Keatinge-Clay . T. . 18947 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Crystallography 18947 1 Dimer 18947 1 Dimerization 18947 1 'Dimerization element' 18947 1 NMR 18947 1 PKS 18947 1 Polyketide 18947 1 'Polyketide synthase' 18947 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18947 _Assembly.ID 1 _Assembly.Name SpnDE1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 7800 _Assembly.Enzyme_commission_number . _Assembly.Details Dimer _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 SpnDE1 1 $SpnDE1 A . yes native no no . Dimerization . 18947 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 4IMP . . X-ray 2.6 'Contains DE' 'Contains ketoreductase' 18947 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID Dimerization 18947 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SpnDE1 _Entity.Sf_category entity _Entity.Sf_framecode SpnDE1 _Entity.Entry_ID 18947 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SpnDE1 _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 ; GSHMALRESSAGDMGRRVEA KFWGAVEHEDVESLARVLGI VDDGAAVDSLRSALPVLAGW QRTRTTESIMDQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-3 are remnants of a thrombin-cleaved hexahistidine tag' _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 72 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Dimerization element 1 of spinosyn synthase' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7800 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 GB AAG23264 . "polyketide synthase loading and extender module 1 [Saccharopolyspora spinosa]" . . . . . 94.44 2595 100.00 100.00 4.82e-34 . . . . 18947 1 2 no REF WP_010309393 . "polyketide synthase [Saccharopolyspora spinosa]" . . . . . 94.44 2595 100.00 100.00 4.82e-34 . . . . 18947 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID Dimerization 18947 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 1 GLY . 18947 1 2 2 SER . 18947 1 3 3 HIS . 18947 1 4 4 MET . 18947 1 5 5 ALA . 18947 1 6 6 LEU . 18947 1 7 7 ARG . 18947 1 8 8 GLU . 18947 1 9 9 SER . 18947 1 10 10 SER . 18947 1 11 11 ALA . 18947 1 12 12 GLY . 18947 1 13 13 ASP . 18947 1 14 14 MET . 18947 1 15 15 GLY . 18947 1 16 16 ARG . 18947 1 17 17 ARG . 18947 1 18 18 VAL . 18947 1 19 19 GLU . 18947 1 20 20 ALA . 18947 1 21 21 LYS . 18947 1 22 22 PHE . 18947 1 23 23 TRP . 18947 1 24 24 GLY . 18947 1 25 25 ALA . 18947 1 26 26 VAL . 18947 1 27 27 GLU . 18947 1 28 28 HIS . 18947 1 29 29 GLU . 18947 1 30 30 ASP . 18947 1 31 31 VAL . 18947 1 32 32 GLU . 18947 1 33 33 SER . 18947 1 34 34 LEU . 18947 1 35 35 ALA . 18947 1 36 36 ARG . 18947 1 37 37 VAL . 18947 1 38 38 LEU . 18947 1 39 39 GLY . 18947 1 40 40 ILE . 18947 1 41 41 VAL . 18947 1 42 42 ASP . 18947 1 43 43 ASP . 18947 1 44 44 GLY . 18947 1 45 45 ALA . 18947 1 46 46 ALA . 18947 1 47 47 VAL . 18947 1 48 48 ASP . 18947 1 49 49 SER . 18947 1 50 50 LEU . 18947 1 51 51 ARG . 18947 1 52 52 SER . 18947 1 53 53 ALA . 18947 1 54 54 LEU . 18947 1 55 55 PRO . 18947 1 56 56 VAL . 18947 1 57 57 LEU . 18947 1 58 58 ALA . 18947 1 59 59 GLY . 18947 1 60 60 TRP . 18947 1 61 61 GLN . 18947 1 62 62 ARG . 18947 1 63 63 THR . 18947 1 64 64 ARG . 18947 1 65 65 THR . 18947 1 66 66 THR . 18947 1 67 67 GLU . 18947 1 68 68 SER . 18947 1 69 69 ILE . 18947 1 70 70 MET . 18947 1 71 71 ASP . 18947 1 72 72 GLN . 18947 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 18947 1 . SER 2 2 18947 1 . HIS 3 3 18947 1 . MET 4 4 18947 1 . ALA 5 5 18947 1 . LEU 6 6 18947 1 . ARG 7 7 18947 1 . GLU 8 8 18947 1 . SER 9 9 18947 1 . SER 10 10 18947 1 . ALA 11 11 18947 1 . GLY 12 12 18947 1 . ASP 13 13 18947 1 . MET 14 14 18947 1 . GLY 15 15 18947 1 . ARG 16 16 18947 1 . ARG 17 17 18947 1 . VAL 18 18 18947 1 . GLU 19 19 18947 1 . ALA 20 20 18947 1 . LYS 21 21 18947 1 . PHE 22 22 18947 1 . TRP 23 23 18947 1 . GLY 24 24 18947 1 . ALA 25 25 18947 1 . VAL 26 26 18947 1 . GLU 27 27 18947 1 . HIS 28 28 18947 1 . GLU 29 29 18947 1 . ASP 30 30 18947 1 . VAL 31 31 18947 1 . GLU 32 32 18947 1 . SER 33 33 18947 1 . LEU 34 34 18947 1 . ALA 35 35 18947 1 . ARG 36 36 18947 1 . VAL 37 37 18947 1 . LEU 38 38 18947 1 . GLY 39 39 18947 1 . ILE 40 40 18947 1 . VAL 41 41 18947 1 . ASP 42 42 18947 1 . ASP 43 43 18947 1 . GLY 44 44 18947 1 . ALA 45 45 18947 1 . ALA 46 46 18947 1 . VAL 47 47 18947 1 . ASP 48 48 18947 1 . SER 49 49 18947 1 . LEU 50 50 18947 1 . ARG 51 51 18947 1 . SER 52 52 18947 1 . ALA 53 53 18947 1 . LEU 54 54 18947 1 . PRO 55 55 18947 1 . VAL 56 56 18947 1 . LEU 57 57 18947 1 . ALA 58 58 18947 1 . GLY 59 59 18947 1 . TRP 60 60 18947 1 . GLN 61 61 18947 1 . ARG 62 62 18947 1 . THR 63 63 18947 1 . ARG 64 64 18947 1 . THR 65 65 18947 1 . THR 66 66 18947 1 . GLU 67 67 18947 1 . SER 68 68 18947 1 . ILE 69 69 18947 1 . MET 70 70 18947 1 . ASP 71 71 18947 1 . GLN 72 72 18947 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 18947 _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 $SpnDE1 . 60894 organism . 'Saccharopolyspora spinosa' 'High GC Gram+' . . Bacteria . Saccharopolyspora spinosa . . . . . . . . . . . . . . . . SpnA . 'Residues 1877-1944' . . 18947 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 18947 _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 $SpnDE1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET28b . . . . . . 18947 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18947 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SpnDE1 [U-15N] . . 1 $SpnDE1 . . 7 . . mM . . . . 18947 1 2 SpnDE1 [U-13C] . . 1 $SpnDE1 . . 7 . . mM . . . . 18947 1 3 'sodium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 18947 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18947 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18947 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 18947 _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' 0.100 . M 18947 1 pH 7.0 . pH 18947 1 pressure 1 . atm 18947 1 temperature 298 . K 18947 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18947 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18947 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18947 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18947 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 18947 _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 Varian INOVA . 500 . . . 18947 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 18947 _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 . . . . . . . . . . . . . . . . 18947 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18947 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18947 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18947 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18947 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18947 1 7 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18947 1 8 '2D 1H-1H COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18947 1 9 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18947 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18947 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18947 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 18947 _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 internal indirect 0.251449530 . . . . . . . . . 18947 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 18947 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 18947 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 18947 _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' . . . 18947 1 2 '3D HNCO' . . . 18947 1 3 '3D HNCA' . . . 18947 1 4 '3D HNCACB' . . . 18947 1 5 '3D CBCA(CO)NH' . . . 18947 1 6 '3D HCCH-TOCSY' . . . 18947 1 7 '3D 1H-15N TOCSY' . . . 18947 1 8 '2D 1H-1H COSY' . . . 18947 1 9 '2D 1H-1H TOCSY' . . . 18947 1 10 '3D 1H-13C NOESY' . . . 18947 1 11 '3D 1H-15N NOESY' . . . 18947 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 11 11 ALA H H 1 8.36 0.02 . 1 . . . . 11 ALA H . 18947 1 2 . 1 1 11 11 ALA HA H 1 4.30 0.02 . 1 . . . . 11 ALA HA . 18947 1 3 . 1 1 11 11 ALA HB1 H 1 1.41 0.02 . 1 . . . . 11 ALA MB . 18947 1 4 . 1 1 11 11 ALA HB2 H 1 1.41 0.02 . 1 . . . . 11 ALA MB . 18947 1 5 . 1 1 11 11 ALA HB3 H 1 1.41 0.02 . 1 . . . . 11 ALA MB . 18947 1 6 . 1 1 11 11 ALA C C 13 177.9 0.3 . 1 . . . . 11 ALA C . 18947 1 7 . 1 1 11 11 ALA CA C 13 53.2 0.3 . 1 . . . . 11 ALA CA . 18947 1 8 . 1 1 11 11 ALA CB C 13 19.2 0.3 . 1 . . . . 11 ALA CB . 18947 1 9 . 1 1 11 11 ALA N N 15 125.9 0.3 . 1 . . . . 11 ALA N . 18947 1 10 . 1 1 12 12 GLY H H 1 8.35 0.02 . 1 . . . . 12 GLY H . 18947 1 11 . 1 1 12 12 GLY HA2 H 1 3.95 0.02 . 2 . . . . 12 GLY HA2 . 18947 1 12 . 1 1 12 12 GLY HA3 H 1 3.95 0.02 . 2 . . . . 12 GLY HA3 . 18947 1 13 . 1 1 12 12 GLY C C 13 173.7 0.3 . 1 . . . . 12 GLY C . 18947 1 14 . 1 1 12 12 GLY CA C 13 45.6 0.3 . 1 . . . . 12 GLY CA . 18947 1 15 . 1 1 12 12 GLY N N 15 107.7 0.3 . 1 . . . . 12 GLY N . 18947 1 16 . 1 1 13 13 ASP H H 1 8.19 0.02 . 1 . . . . 13 ASP H . 18947 1 17 . 1 1 13 13 ASP HA H 1 4.59 0.02 . 1 . . . . 13 ASP HA . 18947 1 18 . 1 1 13 13 ASP HB2 H 1 2.72 0.02 . 2 . . . . 13 ASP HB2 . 18947 1 19 . 1 1 13 13 ASP HB3 H 1 2.72 0.02 . 2 . . . . 13 ASP HB3 . 18947 1 20 . 1 1 13 13 ASP C C 13 176.6 0.3 . 1 . . . . 13 ASP C . 18947 1 21 . 1 1 13 13 ASP CA C 13 54.9 0.3 . 1 . . . . 13 ASP CA . 18947 1 22 . 1 1 13 13 ASP CB C 13 41.3 0.3 . 1 . . . . 13 ASP CB . 18947 1 23 . 1 1 13 13 ASP N N 15 120.9 0.3 . 1 . . . . 13 ASP N . 18947 1 24 . 1 1 14 14 MET H H 1 8.50 0.02 . 1 . . . . 14 MET H . 18947 1 25 . 1 1 14 14 MET HA H 1 4.33 0.02 . 1 . . . . 14 MET HA . 18947 1 26 . 1 1 14 14 MET HB2 H 1 2.11 0.02 . 2 . . . . 14 MET HB2 . 18947 1 27 . 1 1 14 14 MET HB3 H 1 2.11 0.02 . 2 . . . . 14 MET HB3 . 18947 1 28 . 1 1 14 14 MET HG2 H 1 2.56 0.02 . 2 . . . . 14 MET HG2 . 18947 1 29 . 1 1 14 14 MET HG3 H 1 2.65 0.02 . 2 . . . . 14 MET HG3 . 18947 1 30 . 1 1 14 14 MET HE1 H 1 2.06 0.02 . 1 . . . . 14 MET ME . 18947 1 31 . 1 1 14 14 MET HE2 H 1 2.06 0.02 . 1 . . . . 14 MET ME . 18947 1 32 . 1 1 14 14 MET HE3 H 1 2.06 0.02 . 1 . . . . 14 MET ME . 18947 1 33 . 1 1 14 14 MET C C 13 177.0 0.3 . 1 . . . . 14 MET C . 18947 1 34 . 1 1 14 14 MET CA C 13 57.1 0.3 . 1 . . . . 14 MET CA . 18947 1 35 . 1 1 14 14 MET CB C 13 32.2 0.3 . 1 . . . . 14 MET CB . 18947 1 36 . 1 1 14 14 MET CG C 13 32.2 0.3 . 1 . . . . 14 MET CG . 18947 1 37 . 1 1 14 14 MET CE C 13 17.3 0.3 . 1 . . . . 14 MET CE . 18947 1 38 . 1 1 14 14 MET N N 15 121.0 0.3 . 1 . . . . 14 MET N . 18947 1 39 . 1 1 15 15 GLY H H 1 8.47 0.02 . 1 . . . . 15 GLY H . 18947 1 40 . 1 1 15 15 GLY HA2 H 1 3.91 0.02 . 2 . . . . 15 GLY HA2 . 18947 1 41 . 1 1 15 15 GLY HA3 H 1 3.91 0.02 . 2 . . . . 15 GLY HA3 . 18947 1 42 . 1 1 15 15 GLY C C 13 174.7 0.3 . 1 . . . . 15 GLY C . 18947 1 43 . 1 1 15 15 GLY CA C 13 46.4 0.3 . 1 . . . . 15 GLY CA . 18947 1 44 . 1 1 15 15 GLY N N 15 108.6 0.3 . 1 . . . . 15 GLY N . 18947 1 45 . 1 1 16 16 ARG H H 1 8.04 0.02 . 1 . . . . 16 ARG H . 18947 1 46 . 1 1 16 16 ARG HA H 1 4.29 0.02 . 1 . . . . 16 ARG HA . 18947 1 47 . 1 1 16 16 ARG HB2 H 1 1.93 0.02 . 2 . . . . 16 ARG HB2 . 18947 1 48 . 1 1 16 16 ARG HB3 H 1 1.93 0.02 . 2 . . . . 16 ARG HB3 . 18947 1 49 . 1 1 16 16 ARG C C 13 177.5 0.3 . 1 . . . . 16 ARG C . 18947 1 50 . 1 1 16 16 ARG CA C 13 57.7 0.3 . 1 . . . . 16 ARG CA . 18947 1 51 . 1 1 16 16 ARG CB C 13 30.5 0.3 . 1 . . . . 16 ARG CB . 18947 1 52 . 1 1 16 16 ARG N N 15 120.9 0.3 . 1 . . . . 16 ARG N . 18947 1 53 . 1 1 17 17 ARG H H 1 8.26 0.02 . 1 . . . . 17 ARG H . 18947 1 54 . 1 1 17 17 ARG HA H 1 4.26 0.02 . 1 . . . . 17 ARG HA . 18947 1 55 . 1 1 17 17 ARG HB2 H 1 2.00 0.02 . 2 . . . . 17 ARG HB2 . 18947 1 56 . 1 1 17 17 ARG HB3 H 1 2.00 0.02 . 2 . . . . 17 ARG HB3 . 18947 1 57 . 1 1 17 17 ARG HG2 H 1 1.79 0.02 . 2 . . . . 17 ARG HG2 . 18947 1 58 . 1 1 17 17 ARG HG3 H 1 1.67 0.02 . 2 . . . . 17 ARG HG3 . 18947 1 59 . 1 1 17 17 ARG C C 13 177.9 0.3 . 1 . . . . 17 ARG C . 18947 1 60 . 1 1 17 17 ARG CA C 13 58.5 0.3 . 1 . . . . 17 ARG CA . 18947 1 61 . 1 1 17 17 ARG CB C 13 30.3 0.3 . 1 . . . . 17 ARG CB . 18947 1 62 . 1 1 17 17 ARG CG C 13 28.0 0.3 . 1 . . . . 17 ARG CG . 18947 1 63 . 1 1 17 17 ARG N N 15 121.2 0.3 . 1 . . . . 17 ARG N . 18947 1 64 . 1 1 18 18 VAL H H 1 8.24 0.02 . 1 . . . . 18 VAL H . 18947 1 65 . 1 1 18 18 VAL HA H 1 3.89 0.02 . 1 . . . . 18 VAL HA . 18947 1 66 . 1 1 18 18 VAL HB H 1 2.22 0.02 . 1 . . . . 18 VAL HB . 18947 1 67 . 1 1 18 18 VAL HG11 H 1 1.14 0.02 . 2 . . . . 18 VAL MG1 . 18947 1 68 . 1 1 18 18 VAL HG12 H 1 1.14 0.02 . 2 . . . . 18 VAL MG1 . 18947 1 69 . 1 1 18 18 VAL HG13 H 1 1.14 0.02 . 2 . . . . 18 VAL MG1 . 18947 1 70 . 1 1 18 18 VAL HG21 H 1 1.14 0.02 . 2 . . . . 18 VAL MG2 . 18947 1 71 . 1 1 18 18 VAL HG22 H 1 1.14 0.02 . 2 . . . . 18 VAL MG2 . 18947 1 72 . 1 1 18 18 VAL HG23 H 1 1.14 0.02 . 2 . . . . 18 VAL MG2 . 18947 1 73 . 1 1 18 18 VAL C C 13 177.0 0.3 . 1 . . . . 18 VAL C . 18947 1 74 . 1 1 18 18 VAL CA C 13 65.9 0.3 . 1 . . . . 18 VAL CA . 18947 1 75 . 1 1 18 18 VAL CB C 13 31.9 0.3 . 1 . . . . 18 VAL CB . 18947 1 76 . 1 1 18 18 VAL CG1 C 13 22.0 0.3 . 2 . . . . 18 VAL CG1 . 18947 1 77 . 1 1 18 18 VAL CG2 C 13 22.0 0.3 . 2 . . . . 18 VAL CG2 . 18947 1 78 . 1 1 18 18 VAL N N 15 121.0 0.3 . 1 . . . . 18 VAL N . 18947 1 79 . 1 1 19 19 GLU H H 1 8.38 0.02 . 1 . . . . 19 GLU H . 18947 1 80 . 1 1 19 19 GLU HA H 1 4.17 0.02 . 1 . . . . 19 GLU HA . 18947 1 81 . 1 1 19 19 GLU HB2 H 1 2.39 0.02 . 2 . . . . 19 GLU HB2 . 18947 1 82 . 1 1 19 19 GLU HB3 H 1 2.28 0.02 . 2 . . . . 19 GLU HB3 . 18947 1 83 . 1 1 19 19 GLU HG2 H 1 2.56 0.02 . 2 . . . . 19 GLU HG2 . 18947 1 84 . 1 1 19 19 GLU HG3 H 1 2.42 0.02 . 2 . . . . 19 GLU HG3 . 18947 1 85 . 1 1 19 19 GLU C C 13 177.0 0.3 . 1 . . . . 19 GLU C . 18947 1 86 . 1 1 19 19 GLU CA C 13 59.6 0.3 . 1 . . . . 19 GLU CA . 18947 1 87 . 1 1 19 19 GLU CB C 13 29.2 0.3 . 1 . . . . 19 GLU CB . 18947 1 88 . 1 1 19 19 GLU CG C 13 36.4 0.3 . 1 . . . . 19 GLU CG . 18947 1 89 . 1 1 19 19 GLU N N 15 121.8 0.3 . 1 . . . . 19 GLU N . 18947 1 90 . 1 1 20 20 ALA H H 1 8.05 0.02 . 1 . . . . 20 ALA H . 18947 1 91 . 1 1 20 20 ALA HA H 1 4.49 0.02 . 1 . . . . 20 ALA HA . 18947 1 92 . 1 1 20 20 ALA HB1 H 1 1.63 0.02 . 1 . . . . 20 ALA MB . 18947 1 93 . 1 1 20 20 ALA HB2 H 1 1.63 0.02 . 1 . . . . 20 ALA MB . 18947 1 94 . 1 1 20 20 ALA HB3 H 1 1.63 0.02 . 1 . . . . 20 ALA MB . 18947 1 95 . 1 1 20 20 ALA C C 13 181.0 0.3 . 1 . . . . 20 ALA C . 18947 1 96 . 1 1 20 20 ALA CA C 13 55.3 0.3 . 1 . . . . 20 ALA CA . 18947 1 97 . 1 1 20 20 ALA CB C 13 18.3 0.3 . 1 . . . . 20 ALA CB . 18947 1 98 . 1 1 20 20 ALA N N 15 120.5 0.3 . 1 . . . . 20 ALA N . 18947 1 99 . 1 1 21 21 LYS H H 1 8.03 0.02 . 1 . . . . 21 LYS H . 18947 1 100 . 1 1 21 21 LYS HA H 1 4.17 0.02 . 1 . . . . 21 LYS HA . 18947 1 101 . 1 1 21 21 LYS HB2 H 1 2.13 0.02 . 2 . . . . 21 LYS HB2 . 18947 1 102 . 1 1 21 21 LYS HB3 H 1 1.90 0.02 . 2 . . . . 21 LYS HB3 . 18947 1 103 . 1 1 21 21 LYS HG2 H 1 1.72 0.02 . 2 . . . . 21 LYS HG2 . 18947 1 104 . 1 1 21 21 LYS HG3 H 1 1.50 0.02 . 2 . . . . 21 LYS HG3 . 18947 1 105 . 1 1 21 21 LYS HE2 H 1 2.98 0.02 . 2 . . . . 21 LYS HE2 . 18947 1 106 . 1 1 21 21 LYS HE3 H 1 2.98 0.02 . 2 . . . . 21 LYS HE3 . 18947 1 107 . 1 1 21 21 LYS C C 13 178.6 0.3 . 1 . . . . 21 LYS C . 18947 1 108 . 1 1 21 21 LYS CA C 13 59.1 0.3 . 1 . . . . 21 LYS CA . 18947 1 109 . 1 1 21 21 LYS CB C 13 32.5 0.3 . 1 . . . . 21 LYS CB . 18947 1 110 . 1 1 21 21 LYS CG C 13 25.2 0.3 . 1 . . . . 21 LYS CG . 18947 1 111 . 1 1 21 21 LYS CE C 13 42.2 0.3 . 1 . . . . 21 LYS CE . 18947 1 112 . 1 1 21 21 LYS N N 15 119.9 0.3 . 1 . . . . 21 LYS N . 18947 1 113 . 1 1 22 22 PHE H H 1 8.33 0.02 . 1 . . . . 22 PHE H . 18947 1 114 . 1 1 22 22 PHE HA H 1 3.71 0.02 . 1 . . . . 22 PHE HA . 18947 1 115 . 1 1 22 22 PHE HB2 H 1 3.43 0.02 . 2 . . . . 22 PHE HB2 . 18947 1 116 . 1 1 22 22 PHE HB3 H 1 2.81 0.02 . 2 . . . . 22 PHE HB3 . 18947 1 117 . 1 1 22 22 PHE HD1 H 1 5.79 0.02 . 3 . . . . 22 PHE HD1 . 18947 1 118 . 1 1 22 22 PHE HD2 H 1 5.79 0.02 . 3 . . . . 22 PHE HD2 . 18947 1 119 . 1 1 22 22 PHE HE1 H 1 5.95 0.02 . 3 . . . . 22 PHE HE1 . 18947 1 120 . 1 1 22 22 PHE HE2 H 1 5.95 0.02 . 3 . . . . 22 PHE HE2 . 18947 1 121 . 1 1 22 22 PHE HZ H 1 6.58 0.02 . 1 . . . . 22 PHE HZ . 18947 1 122 . 1 1 22 22 PHE C C 13 175.1 0.3 . 1 . . . . 22 PHE C . 18947 1 123 . 1 1 22 22 PHE CA C 13 62.1 0.3 . 1 . . . . 22 PHE CA . 18947 1 124 . 1 1 22 22 PHE CB C 13 38.7 0.3 . 1 . . . . 22 PHE CB . 18947 1 125 . 1 1 22 22 PHE N N 15 121.8 0.3 . 1 . . . . 22 PHE N . 18947 1 126 . 1 1 23 23 TRP H H 1 8.50 0.02 . 1 . . . . 23 TRP H . 18947 1 127 . 1 1 23 23 TRP HA H 1 4.42 0.02 . 1 . . . . 23 TRP HA . 18947 1 128 . 1 1 23 23 TRP HB2 H 1 3.48 0.02 . 2 . . . . 23 TRP HB2 . 18947 1 129 . 1 1 23 23 TRP HB3 H 1 3.15 0.02 . 2 . . . . 23 TRP HB3 . 18947 1 130 . 1 1 23 23 TRP HD1 H 1 7.59 0.02 . 1 . . . . 23 TRP HD1 . 18947 1 131 . 1 1 23 23 TRP HE1 H 1 11.55 0.02 . 1 . . . . 23 TRP HE1 . 18947 1 132 . 1 1 23 23 TRP HE3 H 1 7.35 0.02 . 1 . . . . 23 TRP HE3 . 18947 1 133 . 1 1 23 23 TRP HZ2 H 1 6.64 0.02 . 1 . . . . 23 TRP HZ2 . 18947 1 134 . 1 1 23 23 TRP HZ3 H 1 6.86 0.02 . 1 . . . . 23 TRP HZ3 . 18947 1 135 . 1 1 23 23 TRP HH2 H 1 5.86 0.02 . 1 . . . . 23 TRP HH2 . 18947 1 136 . 1 1 23 23 TRP C C 13 178.5 0.3 . 1 . . . . 23 TRP C . 18947 1 137 . 1 1 23 23 TRP CA C 13 59.7 0.3 . 1 . . . . 23 TRP CA . 18947 1 138 . 1 1 23 23 TRP CB C 13 29.3 0.3 . 1 . . . . 23 TRP CB . 18947 1 139 . 1 1 23 23 TRP N N 15 118.2 0.3 . 1 . . . . 23 TRP N . 18947 1 140 . 1 1 23 23 TRP NE1 N 15 131.0 0.3 . 1 . . . . 23 TRP NE1 . 18947 1 141 . 1 1 24 24 GLY H H 1 8.50 0.02 . 1 . . . . 24 GLY H . 18947 1 142 . 1 1 24 24 GLY HA2 H 1 4.01 0.02 . 2 . . . . 24 GLY HA2 . 18947 1 143 . 1 1 24 24 GLY HA3 H 1 3.90 0.02 . 2 . . . . 24 GLY HA3 . 18947 1 144 . 1 1 24 24 GLY C C 13 174.9 0.3 . 1 . . . . 24 GLY C . 18947 1 145 . 1 1 24 24 GLY CA C 13 47.2 0.3 . 1 . . . . 24 GLY CA . 18947 1 146 . 1 1 24 24 GLY N N 15 108.4 0.3 . 1 . . . . 24 GLY N . 18947 1 147 . 1 1 25 25 ALA H H 1 7.56 0.02 . 1 . . . . 25 ALA H . 18947 1 148 . 1 1 25 25 ALA HA H 1 4.32 0.02 . 1 . . . . 25 ALA HA . 18947 1 149 . 1 1 25 25 ALA HB1 H 1 1.35 0.02 . 1 . . . . 25 ALA MB . 18947 1 150 . 1 1 25 25 ALA HB2 H 1 1.35 0.02 . 1 . . . . 25 ALA MB . 18947 1 151 . 1 1 25 25 ALA HB3 H 1 1.35 0.02 . 1 . . . . 25 ALA MB . 18947 1 152 . 1 1 25 25 ALA C C 13 179.3 0.3 . 1 . . . . 25 ALA C . 18947 1 153 . 1 1 25 25 ALA CA C 13 55.1 0.3 . 1 . . . . 25 ALA CA . 18947 1 154 . 1 1 25 25 ALA CB C 13 17.6 0.3 . 1 . . . . 25 ALA CB . 18947 1 155 . 1 1 25 25 ALA N N 15 124.6 0.3 . 1 . . . . 25 ALA N . 18947 1 156 . 1 1 26 26 VAL H H 1 7.74 0.02 . 1 . . . . 26 VAL H . 18947 1 157 . 1 1 26 26 VAL HA H 1 3.31 0.02 . 1 . . . . 26 VAL HA . 18947 1 158 . 1 1 26 26 VAL HB H 1 2.24 0.02 . 1 . . . . 26 VAL HB . 18947 1 159 . 1 1 26 26 VAL HG11 H 1 0.91 0.02 . 2 . . . . 26 VAL MG1 . 18947 1 160 . 1 1 26 26 VAL HG12 H 1 0.91 0.02 . 2 . . . . 26 VAL MG1 . 18947 1 161 . 1 1 26 26 VAL HG13 H 1 0.91 0.02 . 2 . . . . 26 VAL MG1 . 18947 1 162 . 1 1 26 26 VAL HG21 H 1 0.25 0.02 . 2 . . . . 26 VAL MG2 . 18947 1 163 . 1 1 26 26 VAL HG22 H 1 0.25 0.02 . 2 . . . . 26 VAL MG2 . 18947 1 164 . 1 1 26 26 VAL HG23 H 1 0.25 0.02 . 2 . . . . 26 VAL MG2 . 18947 1 165 . 1 1 26 26 VAL C C 13 177.7 0.3 . 1 . . . . 26 VAL C . 18947 1 166 . 1 1 26 26 VAL CA C 13 66.8 0.3 . 1 . . . . 26 VAL CA . 18947 1 167 . 1 1 26 26 VAL CB C 13 31.7 0.3 . 1 . . . . 26 VAL CB . 18947 1 168 . 1 1 26 26 VAL CG1 C 13 22.0 0.3 . 2 . . . . 26 VAL CG1 . 18947 1 169 . 1 1 26 26 VAL CG2 C 13 22.5 0.3 . 2 . . . . 26 VAL CG2 . 18947 1 170 . 1 1 26 26 VAL N N 15 118.1 0.3 . 1 . . . . 26 VAL N . 18947 1 171 . 1 1 27 27 GLU H H 1 8.60 0.02 . 1 . . . . 27 GLU H . 18947 1 172 . 1 1 27 27 GLU HA H 1 3.89 0.02 . 1 . . . . 27 GLU HA . 18947 1 173 . 1 1 27 27 GLU HB2 H 1 2.24 0.02 . 2 . . . . 27 GLU HB2 . 18947 1 174 . 1 1 27 27 GLU HB3 H 1 2.00 0.02 . 2 . . . . 27 GLU HB3 . 18947 1 175 . 1 1 27 27 GLU HG2 H 1 2.24 0.02 . 2 . . . . 27 GLU HG2 . 18947 1 176 . 1 1 27 27 GLU HG3 H 1 2.10 0.02 . 2 . . . . 27 GLU HG3 . 18947 1 177 . 1 1 27 27 GLU C C 13 177.3 0.3 . 1 . . . . 27 GLU C . 18947 1 178 . 1 1 27 27 GLU CA C 13 59.6 0.3 . 1 . . . . 27 GLU CA . 18947 1 179 . 1 1 27 27 GLU CB C 13 29.7 0.3 . 1 . . . . 27 GLU CB . 18947 1 180 . 1 1 27 27 GLU CG C 13 36.7 0.3 . 1 . . . . 27 GLU CG . 18947 1 181 . 1 1 27 27 GLU N N 15 119.0 0.3 . 1 . . . . 27 GLU N . 18947 1 182 . 1 1 28 28 HIS H H 1 7.42 0.02 . 1 . . . . 28 HIS H . 18947 1 183 . 1 1 28 28 HIS HA H 1 4.62 0.02 . 1 . . . . 28 HIS HA . 18947 1 184 . 1 1 28 28 HIS HB2 H 1 3.53 0.02 . 2 . . . . 28 HIS HB2 . 18947 1 185 . 1 1 28 28 HIS HB3 H 1 3.00 0.02 . 2 . . . . 28 HIS HB3 . 18947 1 186 . 1 1 28 28 HIS C C 13 172.4 0.3 . 1 . . . . 28 HIS C . 18947 1 187 . 1 1 28 28 HIS CA C 13 55.8 0.3 . 1 . . . . 28 HIS CA . 18947 1 188 . 1 1 28 28 HIS CB C 13 29.5 0.3 . 1 . . . . 28 HIS CB . 18947 1 189 . 1 1 28 28 HIS N N 15 113.6 0.3 . 1 . . . . 28 HIS N . 18947 1 190 . 1 1 29 29 GLU H H 1 8.35 0.02 . 1 . . . . 29 GLU H . 18947 1 191 . 1 1 29 29 GLU HA H 1 3.47 0.02 . 1 . . . . 29 GLU HA . 18947 1 192 . 1 1 29 29 GLU HB2 H 1 2.23 0.02 . 2 . . . . 29 GLU HB2 . 18947 1 193 . 1 1 29 29 GLU HB3 H 1 2.02 0.02 . 2 . . . . 29 GLU HB3 . 18947 1 194 . 1 1 29 29 GLU HG2 H 1 2.12 0.02 . 2 . . . . 29 GLU HG2 . 18947 1 195 . 1 1 29 29 GLU HG3 H 1 2.03 0.02 . 2 . . . . 29 GLU HG3 . 18947 1 196 . 1 1 29 29 GLU C C 13 173.7 0.3 . 1 . . . . 29 GLU C . 18947 1 197 . 1 1 29 29 GLU CA C 13 57.7 0.3 . 1 . . . . 29 GLU CA . 18947 1 198 . 1 1 29 29 GLU CB C 13 27.9 0.3 . 1 . . . . 29 GLU CB . 18947 1 199 . 1 1 29 29 GLU N N 15 120.7 0.3 . 1 . . . . 29 GLU N . 18947 1 200 . 1 1 30 30 ASP H H 1 8.11 0.02 . 1 . . . . 30 ASP H . 18947 1 201 . 1 1 30 30 ASP HA H 1 4.81 0.02 . 1 . . . . 30 ASP HA . 18947 1 202 . 1 1 30 30 ASP HB2 H 1 2.99 0.02 . 2 . . . . 30 ASP HB2 . 18947 1 203 . 1 1 30 30 ASP HB3 H 1 2.43 0.02 . 2 . . . . 30 ASP HB3 . 18947 1 204 . 1 1 30 30 ASP C C 13 174.9 0.3 . 1 . . . . 30 ASP C . 18947 1 205 . 1 1 30 30 ASP CA C 13 51.9 0.3 . 1 . . . . 30 ASP CA . 18947 1 206 . 1 1 30 30 ASP CB C 13 41.0 0.3 . 1 . . . . 30 ASP CB . 18947 1 207 . 1 1 30 30 ASP N N 15 118.2 0.3 . 1 . . . . 30 ASP N . 18947 1 208 . 1 1 31 31 VAL H H 1 8.34 0.02 . 1 . . . . 31 VAL H . 18947 1 209 . 1 1 31 31 VAL HA H 1 3.48 0.02 . 1 . . . . 31 VAL HA . 18947 1 210 . 1 1 31 31 VAL HB H 1 2.02 0.02 . 1 . . . . 31 VAL HB . 18947 1 211 . 1 1 31 31 VAL HG11 H 1 0.99 0.02 . 2 . . . . 31 VAL MG1 . 18947 1 212 . 1 1 31 31 VAL HG12 H 1 0.99 0.02 . 2 . . . . 31 VAL MG1 . 18947 1 213 . 1 1 31 31 VAL HG13 H 1 0.99 0.02 . 2 . . . . 31 VAL MG1 . 18947 1 214 . 1 1 31 31 VAL HG21 H 1 0.88 0.02 . 2 . . . . 31 VAL MG2 . 18947 1 215 . 1 1 31 31 VAL HG22 H 1 0.88 0.02 . 2 . . . . 31 VAL MG2 . 18947 1 216 . 1 1 31 31 VAL HG23 H 1 0.88 0.02 . 2 . . . . 31 VAL MG2 . 18947 1 217 . 1 1 31 31 VAL C C 13 175.5 0.3 . 1 . . . . 31 VAL C . 18947 1 218 . 1 1 31 31 VAL CA C 13 65.4 0.3 . 1 . . . . 31 VAL CA . 18947 1 219 . 1 1 31 31 VAL CB C 13 31.9 0.3 . 1 . . . . 31 VAL CB . 18947 1 220 . 1 1 31 31 VAL CG1 C 13 23.6 0.3 . 1 . . . . 31 VAL CG1 . 18947 1 221 . 1 1 31 31 VAL CG2 C 13 21.0 0.3 . 1 . . . . 31 VAL CG2 . 18947 1 222 . 1 1 31 31 VAL N N 15 124.8 0.3 . 1 . . . . 31 VAL N . 18947 1 223 . 1 1 32 32 GLU H H 1 8.24 0.02 . 1 . . . . 32 GLU H . 18947 1 224 . 1 1 32 32 GLU HA H 1 3.95 0.02 . 1 . . . . 32 GLU HA . 18947 1 225 . 1 1 32 32 GLU HB2 H 1 2.11 0.02 . 2 . . . . 32 GLU HB2 . 18947 1 226 . 1 1 32 32 GLU HB3 H 1 2.00 0.02 . 2 . . . . 32 GLU HB3 . 18947 1 227 . 1 1 32 32 GLU HG2 H 1 2.27 0.02 . 2 . . . . 32 GLU HG2 . 18947 1 228 . 1 1 32 32 GLU HG3 H 1 2.27 0.02 . 2 . . . . 32 GLU HG3 . 18947 1 229 . 1 1 32 32 GLU C C 13 179.0 0.3 . 1 . . . . 32 GLU C . 18947 1 230 . 1 1 32 32 GLU CA C 13 60.0 0.3 . 1 . . . . 32 GLU CA . 18947 1 231 . 1 1 32 32 GLU CB C 13 28.9 0.3 . 1 . . . . 32 GLU CB . 18947 1 232 . 1 1 32 32 GLU CG C 13 37.0 0.3 . 1 . . . . 32 GLU CG . 18947 1 233 . 1 1 32 32 GLU N N 15 121.4 0.3 . 1 . . . . 32 GLU N . 18947 1 234 . 1 1 33 33 SER H H 1 7.82 0.02 . 1 . . . . 33 SER H . 18947 1 235 . 1 1 33 33 SER HA H 1 4.11 0.02 . 1 . . . . 33 SER HA . 18947 1 236 . 1 1 33 33 SER HB2 H 1 3.65 0.02 . 2 . . . . 33 SER HB2 . 18947 1 237 . 1 1 33 33 SER HB3 H 1 3.65 0.02 . 2 . . . . 33 SER HB3 . 18947 1 238 . 1 1 33 33 SER C C 13 176.3 0.3 . 1 . . . . 33 SER C . 18947 1 239 . 1 1 33 33 SER CA C 13 61.5 0.3 . 1 . . . . 33 SER CA . 18947 1 240 . 1 1 33 33 SER CB C 13 62.2 0.3 . 1 . . . . 33 SER CB . 18947 1 241 . 1 1 33 33 SER N N 15 115.2 0.3 . 1 . . . . 33 SER N . 18947 1 242 . 1 1 34 34 LEU H H 1 8.04 0.02 . 1 . . . . 34 LEU H . 18947 1 243 . 1 1 34 34 LEU HA H 1 3.66 0.02 . 1 . . . . 34 LEU HA . 18947 1 244 . 1 1 34 34 LEU HB2 H 1 1.67 0.02 . 2 . . . . 34 LEU HB2 . 18947 1 245 . 1 1 34 34 LEU HB3 H 1 1.28 0.02 . 2 . . . . 34 LEU HB3 . 18947 1 246 . 1 1 34 34 LEU HG H 1 1.30 0.02 . 1 . . . . 34 LEU HG . 18947 1 247 . 1 1 34 34 LEU HD11 H 1 0.51 0.02 . 2 . . . . 34 LEU MD1 . 18947 1 248 . 1 1 34 34 LEU HD12 H 1 0.51 0.02 . 2 . . . . 34 LEU MD1 . 18947 1 249 . 1 1 34 34 LEU HD13 H 1 0.51 0.02 . 2 . . . . 34 LEU MD1 . 18947 1 250 . 1 1 34 34 LEU HD21 H 1 0.36 0.02 . 2 . . . . 34 LEU MD2 . 18947 1 251 . 1 1 34 34 LEU HD22 H 1 0.36 0.02 . 2 . . . . 34 LEU MD2 . 18947 1 252 . 1 1 34 34 LEU HD23 H 1 0.36 0.02 . 2 . . . . 34 LEU MD2 . 18947 1 253 . 1 1 34 34 LEU C C 13 176.9 0.3 . 1 . . . . 34 LEU C . 18947 1 254 . 1 1 34 34 LEU CA C 13 57.6 0.3 . 1 . . . . 34 LEU CA . 18947 1 255 . 1 1 34 34 LEU CB C 13 42.0 0.3 . 1 . . . . 34 LEU CB . 18947 1 256 . 1 1 34 34 LEU CG C 13 26.4 0.3 . 1 . . . . 34 LEU CG . 18947 1 257 . 1 1 34 34 LEU CD1 C 13 26.9 0.3 . 2 . . . . 34 LEU CD1 . 18947 1 258 . 1 1 34 34 LEU CD2 C 13 24.5 0.3 . 2 . . . . 34 LEU CD2 . 18947 1 259 . 1 1 34 34 LEU N N 15 122.4 0.3 . 1 . . . . 34 LEU N . 18947 1 260 . 1 1 35 35 ALA H H 1 8.70 0.02 . 1 . . . . 35 ALA H . 18947 1 261 . 1 1 35 35 ALA HA H 1 3.65 0.02 . 1 . . . . 35 ALA HA . 18947 1 262 . 1 1 35 35 ALA HB1 H 1 1.34 0.02 . 1 . . . . 35 ALA MB . 18947 1 263 . 1 1 35 35 ALA HB2 H 1 1.34 0.02 . 1 . . . . 35 ALA MB . 18947 1 264 . 1 1 35 35 ALA HB3 H 1 1.34 0.02 . 1 . . . . 35 ALA MB . 18947 1 265 . 1 1 35 35 ALA C C 13 178.4 0.3 . 1 . . . . 35 ALA C . 18947 1 266 . 1 1 35 35 ALA CA C 13 54.9 0.3 . 1 . . . . 35 ALA CA . 18947 1 267 . 1 1 35 35 ALA CB C 13 18.5 0.3 . 1 . . . . 35 ALA CB . 18947 1 268 . 1 1 35 35 ALA N N 15 119.9 0.3 . 1 . . . . 35 ALA N . 18947 1 269 . 1 1 36 36 ARG H H 1 7.43 0.02 . 1 . . . . 36 ARG H . 18947 1 270 . 1 1 36 36 ARG HA H 1 4.03 0.02 . 1 . . . . 36 ARG HA . 18947 1 271 . 1 1 36 36 ARG HB2 H 1 1.98 0.02 . 2 . . . . 36 ARG HB2 . 18947 1 272 . 1 1 36 36 ARG HB3 H 1 1.90 0.02 . 2 . . . . 36 ARG HB3 . 18947 1 273 . 1 1 36 36 ARG HG2 H 1 1.83 0.02 . 2 . . . . 36 ARG HG2 . 18947 1 274 . 1 1 36 36 ARG HG3 H 1 1.57 0.02 . 2 . . . . 36 ARG HG3 . 18947 1 275 . 1 1 36 36 ARG HD2 H 1 3.25 0.02 . 2 . . . . 36 ARG HD2 . 18947 1 276 . 1 1 36 36 ARG HD3 H 1 3.16 0.02 . 2 . . . . 36 ARG HD3 . 18947 1 277 . 1 1 36 36 ARG C C 13 179.3 0.3 . 1 . . . . 36 ARG C . 18947 1 278 . 1 1 36 36 ARG CA C 13 59.5 0.3 . 1 . . . . 36 ARG CA . 18947 1 279 . 1 1 36 36 ARG CB C 13 30.1 0.3 . 1 . . . . 36 ARG CB . 18947 1 280 . 1 1 36 36 ARG CG C 13 28.9 0.3 . 1 . . . . 36 ARG CG . 18947 1 281 . 1 1 36 36 ARG CD C 13 43.2 0.3 . 1 . . . . 36 ARG CD . 18947 1 282 . 1 1 36 36 ARG N N 15 116.7 0.3 . 1 . . . . 36 ARG N . 18947 1 283 . 1 1 37 37 VAL H H 1 7.97 0.02 . 1 . . . . 37 VAL H . 18947 1 284 . 1 1 37 37 VAL HA H 1 3.60 0.02 . 1 . . . . 37 VAL HA . 18947 1 285 . 1 1 37 37 VAL HB H 1 2.09 0.02 . 1 . . . . 37 VAL HB . 18947 1 286 . 1 1 37 37 VAL HG11 H 1 0.97 0.02 . 2 . . . . 37 VAL MG1 . 18947 1 287 . 1 1 37 37 VAL HG12 H 1 0.97 0.02 . 2 . . . . 37 VAL MG1 . 18947 1 288 . 1 1 37 37 VAL HG13 H 1 0.97 0.02 . 2 . . . . 37 VAL MG1 . 18947 1 289 . 1 1 37 37 VAL HG21 H 1 0.75 0.02 . 2 . . . . 37 VAL MG2 . 18947 1 290 . 1 1 37 37 VAL HG22 H 1 0.75 0.02 . 2 . . . . 37 VAL MG2 . 18947 1 291 . 1 1 37 37 VAL HG23 H 1 0.75 0.02 . 2 . . . . 37 VAL MG2 . 18947 1 292 . 1 1 37 37 VAL C C 13 176.4 0.3 . 1 . . . . 37 VAL C . 18947 1 293 . 1 1 37 37 VAL CA C 13 66.2 0.3 . 1 . . . . 37 VAL CA . 18947 1 294 . 1 1 37 37 VAL CB C 13 31.5 0.3 . 1 . . . . 37 VAL CB . 18947 1 295 . 1 1 37 37 VAL CG1 C 13 23.0 0.3 . 2 . . . . 37 VAL CG1 . 18947 1 296 . 1 1 37 37 VAL CG2 C 13 21.5 0.3 . 2 . . . . 37 VAL CG2 . 18947 1 297 . 1 1 37 37 VAL N N 15 122.6 0.3 . 1 . . . . 37 VAL N . 18947 1 298 . 1 1 38 38 LEU H H 1 7.60 0.02 . 1 . . . . 38 LEU H . 18947 1 299 . 1 1 38 38 LEU HA H 1 3.41 0.02 . 1 . . . . 38 LEU HA . 18947 1 300 . 1 1 38 38 LEU HB2 H 1 1.34 0.02 . 2 . . . . 38 LEU HB2 . 18947 1 301 . 1 1 38 38 LEU HB3 H 1 1.34 0.02 . 2 . . . . 38 LEU HB3 . 18947 1 302 . 1 1 38 38 LEU HG H 1 1.21 0.02 . 1 . . . . 38 LEU HG . 18947 1 303 . 1 1 38 38 LEU HD11 H 1 0.35 0.02 . 2 . . . . 38 LEU MD1 . 18947 1 304 . 1 1 38 38 LEU HD12 H 1 0.35 0.02 . 2 . . . . 38 LEU MD1 . 18947 1 305 . 1 1 38 38 LEU HD13 H 1 0.35 0.02 . 2 . . . . 38 LEU MD1 . 18947 1 306 . 1 1 38 38 LEU HD21 H 1 0.09 0.02 . 2 . . . . 38 LEU MD2 . 18947 1 307 . 1 1 38 38 LEU HD22 H 1 0.09 0.02 . 2 . . . . 38 LEU MD2 . 18947 1 308 . 1 1 38 38 LEU HD23 H 1 0.09 0.02 . 2 . . . . 38 LEU MD2 . 18947 1 309 . 1 1 38 38 LEU C C 13 175.8 0.3 . 1 . . . . 38 LEU C . 18947 1 310 . 1 1 38 38 LEU CA C 13 55.5 0.3 . 1 . . . . 38 LEU CA . 18947 1 311 . 1 1 38 38 LEU CB C 13 43.0 0.3 . 1 . . . . 38 LEU CB . 18947 1 312 . 1 1 38 38 LEU CG C 13 27.3 0.3 . 1 . . . . 38 LEU CG . 18947 1 313 . 1 1 38 38 LEU CD1 C 13 26.0 0.3 . 2 . . . . 38 LEU CD1 . 18947 1 314 . 1 1 38 38 LEU CD2 C 13 22.9 0.3 . 2 . . . . 38 LEU CD2 . 18947 1 315 . 1 1 38 38 LEU N N 15 116.0 0.3 . 1 . . . . 38 LEU N . 18947 1 316 . 1 1 39 39 GLY H H 1 7.60 0.02 . 1 . . . . 39 GLY H . 18947 1 317 . 1 1 39 39 GLY HA2 H 1 4.09 0.02 . 2 . . . . 39 GLY HA2 . 18947 1 318 . 1 1 39 39 GLY HA3 H 1 3.95 0.02 . 2 . . . . 39 GLY HA3 . 18947 1 319 . 1 1 39 39 GLY C C 13 175.3 0.3 . 1 . . . . 39 GLY C . 18947 1 320 . 1 1 39 39 GLY CA C 13 46.6 0.3 . 1 . . . . 39 GLY CA . 18947 1 321 . 1 1 39 39 GLY N N 15 107.7 0.3 . 1 . . . . 39 GLY N . 18947 1 322 . 1 1 40 40 ILE H H 1 7.87 0.02 . 1 . . . . 40 ILE H . 18947 1 323 . 1 1 40 40 ILE HA H 1 4.54 0.02 . 1 . . . . 40 ILE HA . 18947 1 324 . 1 1 40 40 ILE HB H 1 2.22 0.02 . 1 . . . . 40 ILE HB . 18947 1 325 . 1 1 40 40 ILE HG12 H 1 1.19 0.02 . 2 . . . . 40 ILE HG12 . 18947 1 326 . 1 1 40 40 ILE HG13 H 1 1.00 0.02 . 2 . . . . 40 ILE HG13 . 18947 1 327 . 1 1 40 40 ILE HG21 H 1 0.80 0.02 . 1 . . . . 40 ILE MG . 18947 1 328 . 1 1 40 40 ILE HG22 H 1 0.80 0.02 . 1 . . . . 40 ILE MG . 18947 1 329 . 1 1 40 40 ILE HG23 H 1 0.80 0.02 . 1 . . . . 40 ILE MG . 18947 1 330 . 1 1 40 40 ILE HD11 H 1 0.68 0.02 . 1 . . . . 40 ILE MD . 18947 1 331 . 1 1 40 40 ILE HD12 H 1 0.68 0.02 . 1 . . . . 40 ILE MD . 18947 1 332 . 1 1 40 40 ILE HD13 H 1 0.68 0.02 . 1 . . . . 40 ILE MD . 18947 1 333 . 1 1 40 40 ILE C C 13 174.7 0.3 . 1 . . . . 40 ILE C . 18947 1 334 . 1 1 40 40 ILE CA C 13 60.7 0.3 . 1 . . . . 40 ILE CA . 18947 1 335 . 1 1 40 40 ILE CB C 13 38.3 0.3 . 1 . . . . 40 ILE CB . 18947 1 336 . 1 1 40 40 ILE CG1 C 13 26.4 0.3 . 1 . . . . 40 ILE CG1 . 18947 1 337 . 1 1 40 40 ILE CG2 C 13 17.4 0.3 . 1 . . . . 40 ILE CG2 . 18947 1 338 . 1 1 40 40 ILE CD1 C 13 14.4 0.3 . 1 . . . . 40 ILE CD1 . 18947 1 339 . 1 1 40 40 ILE N N 15 113.3 0.3 . 1 . . . . 40 ILE N . 18947 1 340 . 1 1 41 41 VAL H H 1 7.51 0.02 . 1 . . . . 41 VAL H . 18947 1 341 . 1 1 41 41 VAL HA H 1 3.56 0.02 . 1 . . . . 41 VAL HA . 18947 1 342 . 1 1 41 41 VAL HB H 1 1.87 0.02 . 1 . . . . 41 VAL HB . 18947 1 343 . 1 1 41 41 VAL HG11 H 1 0.90 0.02 . 2 . . . . 41 VAL MG1 . 18947 1 344 . 1 1 41 41 VAL HG12 H 1 0.90 0.02 . 2 . . . . 41 VAL MG1 . 18947 1 345 . 1 1 41 41 VAL HG13 H 1 0.90 0.02 . 2 . . . . 41 VAL MG1 . 18947 1 346 . 1 1 41 41 VAL HG21 H 1 0.86 0.02 . 2 . . . . 41 VAL MG2 . 18947 1 347 . 1 1 41 41 VAL HG22 H 1 0.86 0.02 . 2 . . . . 41 VAL MG2 . 18947 1 348 . 1 1 41 41 VAL HG23 H 1 0.86 0.02 . 2 . . . . 41 VAL MG2 . 18947 1 349 . 1 1 41 41 VAL C C 13 174.9 0.3 . 1 . . . . 41 VAL C . 18947 1 350 . 1 1 41 41 VAL CA C 13 64.5 0.3 . 1 . . . . 41 VAL CA . 18947 1 351 . 1 1 41 41 VAL CB C 13 32.6 0.3 . 1 . . . . 41 VAL CB . 18947 1 352 . 1 1 41 41 VAL CG1 C 13 21.5 0.3 . 2 . . . . 41 VAL CG1 . 18947 1 353 . 1 1 41 41 VAL CG2 C 13 21.0 0.3 . 2 . . . . 41 VAL CG2 . 18947 1 354 . 1 1 41 41 VAL N N 15 121.0 0.3 . 1 . . . . 41 VAL N . 18947 1 355 . 1 1 42 42 ASP H H 1 8.27 0.02 . 1 . . . . 42 ASP H . 18947 1 356 . 1 1 42 42 ASP HA H 1 4.55 0.02 . 1 . . . . 42 ASP HA . 18947 1 357 . 1 1 42 42 ASP HB2 H 1 2.80 0.02 . 2 . . . . 42 ASP HB2 . 18947 1 358 . 1 1 42 42 ASP HB3 H 1 2.57 0.02 . 2 . . . . 42 ASP HB3 . 18947 1 359 . 1 1 42 42 ASP C C 13 174.1 0.3 . 1 . . . . 42 ASP C . 18947 1 360 . 1 1 42 42 ASP CA C 13 54.6 0.3 . 1 . . . . 42 ASP CA . 18947 1 361 . 1 1 42 42 ASP CB C 13 40.7 0.3 . 1 . . . . 42 ASP CB . 18947 1 362 . 1 1 42 42 ASP N N 15 117.8 0.3 . 1 . . . . 42 ASP N . 18947 1 363 . 1 1 43 43 ASP H H 1 7.96 0.02 . 1 . . . . 43 ASP H . 18947 1 364 . 1 1 43 43 ASP HA H 1 4.78 0.02 . 1 . . . . 43 ASP HA . 18947 1 365 . 1 1 43 43 ASP HB2 H 1 3.04 0.02 . 2 . . . . 43 ASP HB2 . 18947 1 366 . 1 1 43 43 ASP HB3 H 1 2.38 0.02 . 2 . . . . 43 ASP HB3 . 18947 1 367 . 1 1 43 43 ASP C C 13 174.6 0.3 . 1 . . . . 43 ASP C . 18947 1 368 . 1 1 43 43 ASP CA C 13 52.3 0.3 . 1 . . . . 43 ASP CA . 18947 1 369 . 1 1 43 43 ASP CB C 13 40.8 0.3 . 1 . . . . 43 ASP CB . 18947 1 370 . 1 1 43 43 ASP N N 15 121.3 0.3 . 1 . . . . 43 ASP N . 18947 1 371 . 1 1 44 44 GLY H H 1 8.45 0.02 . 1 . . . . 44 GLY H . 18947 1 372 . 1 1 44 44 GLY HA2 H 1 3.91 0.02 . 2 . . . . 44 GLY HA2 . 18947 1 373 . 1 1 44 44 GLY HA3 H 1 3.74 0.02 . 2 . . . . 44 GLY HA3 . 18947 1 374 . 1 1 44 44 GLY C C 13 175.2 0.3 . 1 . . . . 44 GLY C . 18947 1 375 . 1 1 44 44 GLY CA C 13 47.5 0.3 . 1 . . . . 44 GLY CA . 18947 1 376 . 1 1 44 44 GLY N N 15 111.5 0.3 . 1 . . . . 44 GLY N . 18947 1 377 . 1 1 45 45 ALA H H 1 8.13 0.02 . 1 . . . . 45 ALA H . 18947 1 378 . 1 1 45 45 ALA HA H 1 4.27 0.02 . 1 . . . . 45 ALA HA . 18947 1 379 . 1 1 45 45 ALA HB1 H 1 1.49 0.02 . 1 . . . . 45 ALA MB . 18947 1 380 . 1 1 45 45 ALA HB2 H 1 1.49 0.02 . 1 . . . . 45 ALA MB . 18947 1 381 . 1 1 45 45 ALA HB3 H 1 1.49 0.02 . 1 . . . . 45 ALA MB . 18947 1 382 . 1 1 45 45 ALA C C 13 179.9 0.3 . 1 . . . . 45 ALA C . 18947 1 383 . 1 1 45 45 ALA CA C 13 54.8 0.3 . 1 . . . . 45 ALA CA . 18947 1 384 . 1 1 45 45 ALA CB C 13 18.2 0.3 . 1 . . . . 45 ALA CB . 18947 1 385 . 1 1 45 45 ALA N N 15 123.5 0.3 . 1 . . . . 45 ALA N . 18947 1 386 . 1 1 46 46 ALA H H 1 7.79 0.02 . 1 . . . . 46 ALA H . 18947 1 387 . 1 1 46 46 ALA HA H 1 4.09 0.02 . 1 . . . . 46 ALA HA . 18947 1 388 . 1 1 46 46 ALA HB1 H 1 1.49 0.02 . 1 . . . . 46 ALA MB . 18947 1 389 . 1 1 46 46 ALA HB2 H 1 1.49 0.02 . 1 . . . . 46 ALA MB . 18947 1 390 . 1 1 46 46 ALA HB3 H 1 1.49 0.02 . 1 . . . . 46 ALA MB . 18947 1 391 . 1 1 46 46 ALA C C 13 179.7 0.3 . 1 . . . . 46 ALA C . 18947 1 392 . 1 1 46 46 ALA CA C 13 54.8 0.3 . 1 . . . . 46 ALA CA . 18947 1 393 . 1 1 46 46 ALA CB C 13 18.6 0.3 . 1 . . . . 46 ALA CB . 18947 1 394 . 1 1 46 46 ALA N N 15 123.4 0.3 . 1 . . . . 46 ALA N . 18947 1 395 . 1 1 47 47 VAL H H 1 8.09 0.02 . 1 . . . . 47 VAL H . 18947 1 396 . 1 1 47 47 VAL HA H 1 3.31 0.02 . 1 . . . . 47 VAL HA . 18947 1 397 . 1 1 47 47 VAL HB H 1 2.10 0.02 . 1 . . . . 47 VAL HB . 18947 1 398 . 1 1 47 47 VAL HG11 H 1 0.96 0.02 . 2 . . . . 47 VAL MG1 . 18947 1 399 . 1 1 47 47 VAL HG12 H 1 0.96 0.02 . 2 . . . . 47 VAL MG1 . 18947 1 400 . 1 1 47 47 VAL HG13 H 1 0.96 0.02 . 2 . . . . 47 VAL MG1 . 18947 1 401 . 1 1 47 47 VAL HG21 H 1 0.85 0.02 . 2 . . . . 47 VAL MG2 . 18947 1 402 . 1 1 47 47 VAL HG22 H 1 0.85 0.02 . 2 . . . . 47 VAL MG2 . 18947 1 403 . 1 1 47 47 VAL HG23 H 1 0.85 0.02 . 2 . . . . 47 VAL MG2 . 18947 1 404 . 1 1 47 47 VAL C C 13 177.5 0.3 . 1 . . . . 47 VAL C . 18947 1 405 . 1 1 47 47 VAL CA C 13 67.6 0.3 . 1 . . . . 47 VAL CA . 18947 1 406 . 1 1 47 47 VAL CB C 13 31.4 0.3 . 1 . . . . 47 VAL CB . 18947 1 407 . 1 1 47 47 VAL CG1 C 13 24.0 0.3 . 2 . . . . 47 VAL CG1 . 18947 1 408 . 1 1 47 47 VAL CG2 C 13 21.5 0.3 . 2 . . . . 47 VAL CG2 . 18947 1 409 . 1 1 47 47 VAL N N 15 119.0 0.3 . 1 . . . . 47 VAL N . 18947 1 410 . 1 1 48 48 ASP H H 1 8.31 0.02 . 1 . . . . 48 ASP H . 18947 1 411 . 1 1 48 48 ASP HA H 1 4.39 0.02 . 1 . . . . 48 ASP HA . 18947 1 412 . 1 1 48 48 ASP HB2 H 1 2.85 0.02 . 2 . . . . 48 ASP HB2 . 18947 1 413 . 1 1 48 48 ASP HB3 H 1 2.69 0.02 . 2 . . . . 48 ASP HB3 . 18947 1 414 . 1 1 48 48 ASP C C 13 178.8 0.3 . 1 . . . . 48 ASP C . 18947 1 415 . 1 1 48 48 ASP CA C 13 57.8 0.3 . 1 . . . . 48 ASP CA . 18947 1 416 . 1 1 48 48 ASP CB C 13 40.2 0.3 . 1 . . . . 48 ASP CB . 18947 1 417 . 1 1 48 48 ASP N N 15 119.9 0.3 . 1 . . . . 48 ASP N . 18947 1 418 . 1 1 49 49 SER H H 1 8.03 0.02 . 1 . . . . 49 SER H . 18947 1 419 . 1 1 49 49 SER HA H 1 4.26 0.02 . 1 . . . . 49 SER HA . 18947 1 420 . 1 1 49 49 SER HB2 H 1 4.00 0.02 . 2 . . . . 49 SER HB2 . 18947 1 421 . 1 1 49 49 SER HB3 H 1 3.78 0.02 . 2 . . . . 49 SER HB3 . 18947 1 422 . 1 1 49 49 SER C C 13 175.5 0.3 . 1 . . . . 49 SER C . 18947 1 423 . 1 1 49 49 SER CA C 13 62.0 0.3 . 1 . . . . 49 SER CA . 18947 1 424 . 1 1 49 49 SER CB C 13 62.5 0.3 . 1 . . . . 49 SER CB . 18947 1 425 . 1 1 49 49 SER N N 15 117.0 0.3 . 1 . . . . 49 SER N . 18947 1 426 . 1 1 50 50 LEU H H 1 7.93 0.02 . 1 . . . . 50 LEU H . 18947 1 427 . 1 1 50 50 LEU HA H 1 4.04 0.02 . 1 . . . . 50 LEU HA . 18947 1 428 . 1 1 50 50 LEU HB2 H 1 1.89 0.02 . 2 . . . . 50 LEU HB2 . 18947 1 429 . 1 1 50 50 LEU HB3 H 1 1.46 0.02 . 2 . . . . 50 LEU HB3 . 18947 1 430 . 1 1 50 50 LEU HG H 1 1.80 0.02 . 1 . . . . 50 LEU HG . 18947 1 431 . 1 1 50 50 LEU HD11 H 1 0.71 0.02 . 2 . . . . 50 LEU MD1 . 18947 1 432 . 1 1 50 50 LEU HD12 H 1 0.71 0.02 . 2 . . . . 50 LEU MD1 . 18947 1 433 . 1 1 50 50 LEU HD13 H 1 0.71 0.02 . 2 . . . . 50 LEU MD1 . 18947 1 434 . 1 1 50 50 LEU HD21 H 1 0.71 0.02 . 2 . . . . 50 LEU MD2 . 18947 1 435 . 1 1 50 50 LEU HD22 H 1 0.71 0.02 . 2 . . . . 50 LEU MD2 . 18947 1 436 . 1 1 50 50 LEU HD23 H 1 0.71 0.02 . 2 . . . . 50 LEU MD2 . 18947 1 437 . 1 1 50 50 LEU C C 13 177.5 0.3 . 1 . . . . 50 LEU C . 18947 1 438 . 1 1 50 50 LEU CA C 13 56.9 0.3 . 1 . . . . 50 LEU CA . 18947 1 439 . 1 1 50 50 LEU CB C 13 42.3 0.3 . 1 . . . . 50 LEU CB . 18947 1 440 . 1 1 50 50 LEU CG C 13 26.4 0.3 . 1 . . . . 50 LEU CG . 18947 1 441 . 1 1 50 50 LEU CD1 C 13 23.7 0.3 . 2 . . . . 50 LEU CD1 . 18947 1 442 . 1 1 50 50 LEU CD2 C 13 23.7 0.3 . 2 . . . . 50 LEU CD2 . 18947 1 443 . 1 1 50 50 LEU N N 15 122.6 0.3 . 1 . . . . 50 LEU N . 18947 1 444 . 1 1 51 51 ARG H H 1 8.38 0.02 . 1 . . . . 51 ARG H . 18947 1 445 . 1 1 51 51 ARG HA H 1 3.76 0.02 . 1 . . . . 51 ARG HA . 18947 1 446 . 1 1 51 51 ARG HB2 H 1 2.00 0.02 . 2 . . . . 51 ARG HB2 . 18947 1 447 . 1 1 51 51 ARG HB3 H 1 2.00 0.02 . 2 . . . . 51 ARG HB3 . 18947 1 448 . 1 1 51 51 ARG HG2 H 1 1.66 0.02 . 2 . . . . 51 ARG HG2 . 18947 1 449 . 1 1 51 51 ARG HG3 H 1 1.66 0.02 . 2 . . . . 51 ARG HG3 . 18947 1 450 . 1 1 51 51 ARG C C 13 178.6 0.3 . 1 . . . . 51 ARG C . 18947 1 451 . 1 1 51 51 ARG CA C 13 60.8 0.3 . 1 . . . . 51 ARG CA . 18947 1 452 . 1 1 51 51 ARG CB C 13 30.4 0.3 . 1 . . . . 51 ARG CB . 18947 1 453 . 1 1 51 51 ARG CG C 13 28.9 0.3 . 1 . . . . 51 ARG CG . 18947 1 454 . 1 1 51 51 ARG N N 15 118.4 0.3 . 1 . . . . 51 ARG N . 18947 1 455 . 1 1 52 52 SER H H 1 8.02 0.02 . 1 . . . . 52 SER H . 18947 1 456 . 1 1 52 52 SER HA H 1 4.30 0.02 . 1 . . . . 52 SER HA . 18947 1 457 . 1 1 52 52 SER HB2 H 1 4.05 0.02 . 2 . . . . 52 SER HB2 . 18947 1 458 . 1 1 52 52 SER HB3 H 1 4.05 0.02 . 2 . . . . 52 SER HB3 . 18947 1 459 . 1 1 52 52 SER C C 13 174.4 0.3 . 1 . . . . 52 SER C . 18947 1 460 . 1 1 52 52 SER CA C 13 61.2 0.3 . 1 . . . . 52 SER CA . 18947 1 461 . 1 1 52 52 SER CB C 13 63.0 0.3 . 1 . . . . 52 SER CB . 18947 1 462 . 1 1 52 52 SER N N 15 112.5 0.3 . 1 . . . . 52 SER N . 18947 1 463 . 1 1 53 53 ALA H H 1 7.48 0.02 . 1 . . . . 53 ALA H . 18947 1 464 . 1 1 53 53 ALA HA H 1 4.23 0.02 . 1 . . . . 53 ALA HA . 18947 1 465 . 1 1 53 53 ALA HB1 H 1 1.35 0.02 . 1 . . . . 53 ALA MB . 18947 1 466 . 1 1 53 53 ALA HB2 H 1 1.35 0.02 . 1 . . . . 53 ALA MB . 18947 1 467 . 1 1 53 53 ALA HB3 H 1 1.35 0.02 . 1 . . . . 53 ALA MB . 18947 1 468 . 1 1 53 53 ALA C C 13 177.6 0.3 . 1 . . . . 53 ALA C . 18947 1 469 . 1 1 53 53 ALA CA C 13 52.9 0.3 . 1 . . . . 53 ALA CA . 18947 1 470 . 1 1 53 53 ALA CB C 13 19.5 0.3 . 1 . . . . 53 ALA CB . 18947 1 471 . 1 1 53 53 ALA N N 15 120.8 0.3 . 1 . . . . 53 ALA N . 18947 1 472 . 1 1 54 54 LEU H H 1 7.89 0.02 . 1 . . . . 54 LEU H . 18947 1 473 . 1 1 54 54 LEU HA H 1 4.07 0.02 . 1 . . . . 54 LEU HA . 18947 1 474 . 1 1 54 54 LEU HB2 H 1 1.84 0.02 . 2 . . . . 54 LEU HB2 . 18947 1 475 . 1 1 54 54 LEU HB3 H 1 1.84 0.02 . 2 . . . . 54 LEU HB3 . 18947 1 476 . 1 1 54 54 LEU HG H 1 1.74 0.02 . 1 . . . . 54 LEU HG . 18947 1 477 . 1 1 54 54 LEU HD11 H 1 0.83 0.02 . 2 . . . . 54 LEU MD1 . 18947 1 478 . 1 1 54 54 LEU HD12 H 1 0.83 0.02 . 2 . . . . 54 LEU MD1 . 18947 1 479 . 1 1 54 54 LEU HD13 H 1 0.83 0.02 . 2 . . . . 54 LEU MD1 . 18947 1 480 . 1 1 54 54 LEU HD21 H 1 0.77 0.02 . 2 . . . . 54 LEU MD2 . 18947 1 481 . 1 1 54 54 LEU HD22 H 1 0.77 0.02 . 2 . . . . 54 LEU MD2 . 18947 1 482 . 1 1 54 54 LEU HD23 H 1 0.77 0.02 . 2 . . . . 54 LEU MD2 . 18947 1 483 . 1 1 54 54 LEU CA C 13 60.1 0.3 . 1 . . . . 54 LEU CA . 18947 1 484 . 1 1 54 54 LEU CB C 13 39.8 0.3 . 1 . . . . 54 LEU CB . 18947 1 485 . 1 1 54 54 LEU CG C 13 27.6 0.3 . 1 . . . . 54 LEU CG . 18947 1 486 . 1 1 54 54 LEU CD1 C 13 25.0 0.3 . 2 . . . . 54 LEU CD1 . 18947 1 487 . 1 1 54 54 LEU CD2 C 13 25.9 0.3 . 2 . . . . 54 LEU CD2 . 18947 1 488 . 1 1 54 54 LEU N N 15 120.0 0.3 . 1 . . . . 54 LEU N . 18947 1 489 . 1 1 55 55 PRO HA H 1 4.31 0.02 . 1 . . . . 55 PRO HA . 18947 1 490 . 1 1 55 55 PRO HB2 H 1 2.44 0.02 . 2 . . . . 55 PRO HB2 . 18947 1 491 . 1 1 55 55 PRO HB3 H 1 1.86 0.02 . 2 . . . . 55 PRO HB3 . 18947 1 492 . 1 1 55 55 PRO HG2 H 1 2.10 0.02 . 2 . . . . 55 PRO HG2 . 18947 1 493 . 1 1 55 55 PRO HG3 H 1 2.10 0.02 . 2 . . . . 55 PRO HG3 . 18947 1 494 . 1 1 55 55 PRO HD2 H 1 3.73 0.02 . 2 . . . . 55 PRO HD2 . 18947 1 495 . 1 1 55 55 PRO HD3 H 1 3.73 0.02 . 2 . . . . 55 PRO HD3 . 18947 1 496 . 1 1 55 55 PRO C C 13 179.4 0.3 . 1 . . . . 55 PRO C . 18947 1 497 . 1 1 55 55 PRO CA C 13 66.2 0.3 . 1 . . . . 55 PRO CA . 18947 1 498 . 1 1 55 55 PRO CB C 13 31.3 0.3 . 1 . . . . 55 PRO CB . 18947 1 499 . 1 1 55 55 PRO CG C 13 28.9 0.3 . 1 . . . . 55 PRO CG . 18947 1 500 . 1 1 55 55 PRO CD C 13 50.4 0.3 . 1 . . . . 55 PRO CD . 18947 1 501 . 1 1 56 56 VAL H H 1 7.16 0.02 . 1 . . . . 56 VAL H . 18947 1 502 . 1 1 56 56 VAL HA H 1 3.83 0.02 . 1 . . . . 56 VAL HA . 18947 1 503 . 1 1 56 56 VAL HB H 1 2.28 0.02 . 1 . . . . 56 VAL HB . 18947 1 504 . 1 1 56 56 VAL HG11 H 1 1.12 0.02 . 2 . . . . 56 VAL MG1 . 18947 1 505 . 1 1 56 56 VAL HG12 H 1 1.12 0.02 . 2 . . . . 56 VAL MG1 . 18947 1 506 . 1 1 56 56 VAL HG13 H 1 1.12 0.02 . 2 . . . . 56 VAL MG1 . 18947 1 507 . 1 1 56 56 VAL HG21 H 1 0.99 0.02 . 2 . . . . 56 VAL MG2 . 18947 1 508 . 1 1 56 56 VAL HG22 H 1 0.99 0.02 . 2 . . . . 56 VAL MG2 . 18947 1 509 . 1 1 56 56 VAL HG23 H 1 0.99 0.02 . 2 . . . . 56 VAL MG2 . 18947 1 510 . 1 1 56 56 VAL C C 13 178.2 0.3 . 1 . . . . 56 VAL C . 18947 1 511 . 1 1 56 56 VAL CA C 13 65.1 0.3 . 1 . . . . 56 VAL CA . 18947 1 512 . 1 1 56 56 VAL CB C 13 32.1 0.3 . 1 . . . . 56 VAL CB . 18947 1 513 . 1 1 56 56 VAL CG1 C 13 22.0 0.3 . 2 . . . . 56 VAL CG1 . 18947 1 514 . 1 1 56 56 VAL CG2 C 13 22.0 0.3 . 2 . . . . 56 VAL CG2 . 18947 1 515 . 1 1 56 56 VAL N N 15 117.4 0.3 . 1 . . . . 56 VAL N . 18947 1 516 . 1 1 57 57 LEU H H 1 7.84 0.02 . 1 . . . . 57 LEU H . 18947 1 517 . 1 1 57 57 LEU HA H 1 4.23 0.02 . 1 . . . . 57 LEU HA . 18947 1 518 . 1 1 57 57 LEU HB2 H 1 2.00 0.02 . 2 . . . . 57 LEU HB2 . 18947 1 519 . 1 1 57 57 LEU HB3 H 1 1.64 0.02 . 2 . . . . 57 LEU HB3 . 18947 1 520 . 1 1 57 57 LEU HG H 1 1.87 0.02 . 1 . . . . 57 LEU HG . 18947 1 521 . 1 1 57 57 LEU HD11 H 1 0.98 0.02 . 2 . . . . 57 LEU MD1 . 18947 1 522 . 1 1 57 57 LEU HD12 H 1 0.98 0.02 . 2 . . . . 57 LEU MD1 . 18947 1 523 . 1 1 57 57 LEU HD13 H 1 0.98 0.02 . 2 . . . . 57 LEU MD1 . 18947 1 524 . 1 1 57 57 LEU HD21 H 1 0.83 0.02 . 2 . . . . 57 LEU MD2 . 18947 1 525 . 1 1 57 57 LEU HD22 H 1 0.83 0.02 . 2 . . . . 57 LEU MD2 . 18947 1 526 . 1 1 57 57 LEU HD23 H 1 0.83 0.02 . 2 . . . . 57 LEU MD2 . 18947 1 527 . 1 1 57 57 LEU C C 13 177.5 0.3 . 1 . . . . 57 LEU C . 18947 1 528 . 1 1 57 57 LEU CA C 13 58.2 0.3 . 1 . . . . 57 LEU CA . 18947 1 529 . 1 1 57 57 LEU CB C 13 42.8 0.3 . 1 . . . . 57 LEU CB . 18947 1 530 . 1 1 57 57 LEU CG C 13 27.4 0.3 . 1 . . . . 57 LEU CG . 18947 1 531 . 1 1 57 57 LEU CD1 C 13 25.3 0.3 . 2 . . . . 57 LEU CD1 . 18947 1 532 . 1 1 57 57 LEU CD2 C 13 25.3 0.3 . 2 . . . . 57 LEU CD2 . 18947 1 533 . 1 1 57 57 LEU N N 15 120.0 0.3 . 1 . . . . 57 LEU N . 18947 1 534 . 1 1 58 58 ALA H H 1 9.22 0.02 . 1 . . . . 58 ALA H . 18947 1 535 . 1 1 58 58 ALA HA H 1 3.96 0.02 . 1 . . . . 58 ALA HA . 18947 1 536 . 1 1 58 58 ALA HB1 H 1 1.50 0.02 . 1 . . . . 58 ALA MB . 18947 1 537 . 1 1 58 58 ALA HB2 H 1 1.50 0.02 . 1 . . . . 58 ALA MB . 18947 1 538 . 1 1 58 58 ALA HB3 H 1 1.50 0.02 . 1 . . . . 58 ALA MB . 18947 1 539 . 1 1 58 58 ALA C C 13 179.5 0.3 . 1 . . . . 58 ALA C . 18947 1 540 . 1 1 58 58 ALA CA C 13 55.4 0.3 . 1 . . . . 58 ALA CA . 18947 1 541 . 1 1 58 58 ALA CB C 13 19.1 0.3 . 1 . . . . 58 ALA CB . 18947 1 542 . 1 1 58 58 ALA N N 15 121.6 0.3 . 1 . . . . 58 ALA N . 18947 1 543 . 1 1 59 59 GLY H H 1 7.96 0.02 . 1 . . . . 59 GLY H . 18947 1 544 . 1 1 59 59 GLY HA2 H 1 4.01 0.02 . 2 . . . . 59 GLY HA2 . 18947 1 545 . 1 1 59 59 GLY HA3 H 1 3.85 0.02 . 2 . . . . 59 GLY HA3 . 18947 1 546 . 1 1 59 59 GLY C C 13 175.3 0.3 . 1 . . . . 59 GLY C . 18947 1 547 . 1 1 59 59 GLY CA C 13 47.0 0.3 . 1 . . . . 59 GLY CA . 18947 1 548 . 1 1 59 59 GLY N N 15 105.0 0.3 . 1 . . . . 59 GLY N . 18947 1 549 . 1 1 60 60 TRP H H 1 7.59 0.02 . 1 . . . . 60 TRP H . 18947 1 550 . 1 1 60 60 TRP HA H 1 4.50 0.02 . 1 . . . . 60 TRP HA . 18947 1 551 . 1 1 60 60 TRP HB2 H 1 3.44 0.02 . 2 . . . . 60 TRP HB2 . 18947 1 552 . 1 1 60 60 TRP HB3 H 1 3.31 0.02 . 2 . . . . 60 TRP HB3 . 18947 1 553 . 1 1 60 60 TRP HD1 H 1 7.30 0.02 . 1 . . . . 60 TRP HD1 . 18947 1 554 . 1 1 60 60 TRP HE1 H 1 9.80 0.02 . 1 . . . . 60 TRP HE1 . 18947 1 555 . 1 1 60 60 TRP HE3 H 1 7.23 0.02 . 1 . . . . 60 TRP HE3 . 18947 1 556 . 1 1 60 60 TRP HZ2 H 1 7.08 0.02 . 1 . . . . 60 TRP HZ2 . 18947 1 557 . 1 1 60 60 TRP HZ3 H 1 6.24 0.02 . 1 . . . . 60 TRP HZ3 . 18947 1 558 . 1 1 60 60 TRP HH2 H 1 6.41 0.02 . 1 . . . . 60 TRP HH2 . 18947 1 559 . 1 1 60 60 TRP C C 13 177.3 0.3 . 1 . . . . 60 TRP C . 18947 1 560 . 1 1 60 60 TRP CA C 13 60.6 0.3 . 1 . . . . 60 TRP CA . 18947 1 561 . 1 1 60 60 TRP CB C 13 28.4 0.3 . 1 . . . . 60 TRP CB . 18947 1 562 . 1 1 60 60 TRP N N 15 122.8 0.3 . 1 . . . . 60 TRP N . 18947 1 563 . 1 1 60 60 TRP NE1 N 15 130.0 0.3 . 1 . . . . 60 TRP NE1 . 18947 1 564 . 1 1 61 61 GLN H H 1 8.53 0.02 . 1 . . . . 61 GLN H . 18947 1 565 . 1 1 61 61 GLN HA H 1 3.50 0.02 . 1 . . . . 61 GLN HA . 18947 1 566 . 1 1 61 61 GLN HB2 H 1 2.21 0.02 . 2 . . . . 61 GLN HB2 . 18947 1 567 . 1 1 61 61 GLN HB3 H 1 1.98 0.02 . 2 . . . . 61 GLN HB3 . 18947 1 568 . 1 1 61 61 GLN HG2 H 1 2.37 0.02 . 2 . . . . 61 GLN HG2 . 18947 1 569 . 1 1 61 61 GLN HG3 H 1 2.19 0.02 . 2 . . . . 61 GLN HG3 . 18947 1 570 . 1 1 61 61 GLN HE21 H 1 6.23 0.02 . 2 . . . . 61 GLN HE21 . 18947 1 571 . 1 1 61 61 GLN HE22 H 1 7.04 0.02 . 2 . . . . 61 GLN HE22 . 18947 1 572 . 1 1 61 61 GLN C C 13 177.1 0.3 . 1 . . . . 61 GLN C . 18947 1 573 . 1 1 61 61 GLN CA C 13 57.6 0.3 . 1 . . . . 61 GLN CA . 18947 1 574 . 1 1 61 61 GLN CB C 13 27.6 0.3 . 1 . . . . 61 GLN CB . 18947 1 575 . 1 1 61 61 GLN CG C 13 32.3 0.3 . 1 . . . . 61 GLN CG . 18947 1 576 . 1 1 61 61 GLN N N 15 121.2 0.3 . 1 . . . . 61 GLN N . 18947 1 577 . 1 1 61 61 GLN NE2 N 15 108.0 0.3 . 1 . . . . 61 GLN NE2 . 18947 1 578 . 1 1 62 62 ARG H H 1 8.05 0.02 . 1 . . . . 62 ARG H . 18947 1 579 . 1 1 62 62 ARG HA H 1 3.97 0.02 . 1 . . . . 62 ARG HA . 18947 1 580 . 1 1 62 62 ARG HB2 H 1 1.84 0.02 . 2 . . . . 62 ARG HB2 . 18947 1 581 . 1 1 62 62 ARG HB3 H 1 1.84 0.02 . 2 . . . . 62 ARG HB3 . 18947 1 582 . 1 1 62 62 ARG HG2 H 1 1.74 0.02 . 2 . . . . 62 ARG HG2 . 18947 1 583 . 1 1 62 62 ARG HG3 H 1 1.55 0.02 . 2 . . . . 62 ARG HG3 . 18947 1 584 . 1 1 62 62 ARG HD2 H 1 3.16 0.02 . 2 . . . . 62 ARG HD2 . 18947 1 585 . 1 1 62 62 ARG HD3 H 1 3.05 0.02 . 2 . . . . 62 ARG HD3 . 18947 1 586 . 1 1 62 62 ARG C C 13 177.3 0.3 . 1 . . . . 62 ARG C . 18947 1 587 . 1 1 62 62 ARG CA C 13 58.8 0.3 . 1 . . . . 62 ARG CA . 18947 1 588 . 1 1 62 62 ARG CB C 13 30.5 0.3 . 1 . . . . 62 ARG CB . 18947 1 589 . 1 1 62 62 ARG CG C 13 28.7 0.3 . 1 . . . . 62 ARG CG . 18947 1 590 . 1 1 62 62 ARG CD C 13 43.7 0.3 . 1 . . . . 62 ARG CD . 18947 1 591 . 1 1 62 62 ARG N N 15 117.6 0.3 . 1 . . . . 62 ARG N . 18947 1 592 . 1 1 63 63 THR H H 1 7.62 0.02 . 1 . . . . 63 THR H . 18947 1 593 . 1 1 63 63 THR HA H 1 4.16 0.02 . 1 . . . . 63 THR HA . 18947 1 594 . 1 1 63 63 THR HB H 1 4.28 0.02 . 1 . . . . 63 THR HB . 18947 1 595 . 1 1 63 63 THR HG1 H 1 5.41 0.02 . 1 . . . . 63 THR HG1 . 18947 1 596 . 1 1 63 63 THR HG21 H 1 1.25 0.02 . 1 . . . . 63 THR MG . 18947 1 597 . 1 1 63 63 THR HG22 H 1 1.25 0.02 . 1 . . . . 63 THR MG . 18947 1 598 . 1 1 63 63 THR HG23 H 1 1.25 0.02 . 1 . . . . 63 THR MG . 18947 1 599 . 1 1 63 63 THR C C 13 174.8 0.3 . 1 . . . . 63 THR C . 18947 1 600 . 1 1 63 63 THR CA C 13 63.7 0.3 . 1 . . . . 63 THR CA . 18947 1 601 . 1 1 63 63 THR CB C 13 69.5 0.3 . 1 . . . . 63 THR CB . 18947 1 602 . 1 1 63 63 THR CG2 C 13 21.6 0.3 . 1 . . . . 63 THR CG2 . 18947 1 603 . 1 1 63 63 THR N N 15 111.8 0.3 . 1 . . . . 63 THR N . 18947 1 604 . 1 1 64 64 ARG H H 1 7.69 0.02 . 1 . . . . 64 ARG H . 18947 1 605 . 1 1 64 64 ARG HA H 1 4.08 0.02 . 1 . . . . 64 ARG HA . 18947 1 606 . 1 1 64 64 ARG HB2 H 1 1.37 0.02 . 2 . . . . 64 ARG HB2 . 18947 1 607 . 1 1 64 64 ARG HB3 H 1 1.23 0.02 . 2 . . . . 64 ARG HB3 . 18947 1 608 . 1 1 64 64 ARG HG2 H 1 0.88 0.02 . 2 . . . . 64 ARG HG2 . 18947 1 609 . 1 1 64 64 ARG HG3 H 1 0.77 0.02 . 2 . . . . 64 ARG HG3 . 18947 1 610 . 1 1 64 64 ARG HD2 H 1 2.04 0.02 . 2 . . . . 64 ARG HD2 . 18947 1 611 . 1 1 64 64 ARG HD3 H 1 1.80 0.02 . 2 . . . . 64 ARG HD3 . 18947 1 612 . 1 1 64 64 ARG C C 13 176.2 0.3 . 1 . . . . 64 ARG C . 18947 1 613 . 1 1 64 64 ARG CA C 13 57.1 0.3 . 1 . . . . 64 ARG CA . 18947 1 614 . 1 1 64 64 ARG CB C 13 29.6 0.3 . 1 . . . . 64 ARG CB . 18947 1 615 . 1 1 64 64 ARG CG C 13 26.2 0.3 . 1 . . . . 64 ARG CG . 18947 1 616 . 1 1 64 64 ARG CD C 13 43.0 0.3 . 1 . . . . 64 ARG CD . 18947 1 617 . 1 1 64 64 ARG N N 15 121.6 0.3 . 1 . . . . 64 ARG N . 18947 1 618 . 1 1 65 65 THR H H 1 7.70 0.02 . 1 . . . . 65 THR H . 18947 1 619 . 1 1 65 65 THR HA H 1 4.25 0.02 . 1 . . . . 65 THR HA . 18947 1 620 . 1 1 65 65 THR HB H 1 4.25 0.02 . 1 . . . . 65 THR HB . 18947 1 621 . 1 1 65 65 THR HG21 H 1 1.12 0.02 . 1 . . . . 65 THR MG . 18947 1 622 . 1 1 65 65 THR HG22 H 1 1.12 0.02 . 1 . . . . 65 THR MG . 18947 1 623 . 1 1 65 65 THR HG23 H 1 1.12 0.02 . 1 . . . . 65 THR MG . 18947 1 624 . 1 1 65 65 THR C C 13 174.3 0.3 . 1 . . . . 65 THR C . 18947 1 625 . 1 1 65 65 THR CA C 13 62.2 0.3 . 1 . . . . 65 THR CA . 18947 1 626 . 1 1 65 65 THR CB C 13 69.5 0.3 . 1 . . . . 65 THR CB . 18947 1 627 . 1 1 65 65 THR CG2 C 13 21.2 0.3 . 1 . . . . 65 THR CG2 . 18947 1 628 . 1 1 65 65 THR N N 15 113.0 0.3 . 1 . . . . 65 THR N . 18947 1 629 . 1 1 66 66 THR H H 1 7.90 0.02 . 1 . . . . 66 THR H . 18947 1 630 . 1 1 66 66 THR HA H 1 4.25 0.02 . 1 . . . . 66 THR HA . 18947 1 631 . 1 1 66 66 THR HB H 1 4.25 0.02 . 1 . . . . 66 THR HB . 18947 1 632 . 1 1 66 66 THR HG21 H 1 1.18 0.02 . 1 . . . . 66 THR MG . 18947 1 633 . 1 1 66 66 THR HG22 H 1 1.18 0.02 . 1 . . . . 66 THR MG . 18947 1 634 . 1 1 66 66 THR HG23 H 1 1.18 0.02 . 1 . . . . 66 THR MG . 18947 1 635 . 1 1 66 66 THR C C 13 174.0 0.3 . 1 . . . . 66 THR C . 18947 1 636 . 1 1 66 66 THR CA C 13 62.6 0.3 . 1 . . . . 66 THR CA . 18947 1 637 . 1 1 66 66 THR CB C 13 69.6 0.3 . 1 . . . . 66 THR CB . 18947 1 638 . 1 1 66 66 THR CG2 C 13 21.2 0.3 . 1 . . . . 66 THR CG2 . 18947 1 639 . 1 1 66 66 THR N N 15 116.1 0.3 . 1 . . . . 66 THR N . 18947 1 640 . 1 1 67 67 GLU H H 1 8.28 0.02 . 1 . . . . 67 GLU H . 18947 1 641 . 1 1 67 67 GLU HA H 1 4.27 0.02 . 1 . . . . 67 GLU HA . 18947 1 642 . 1 1 67 67 GLU HB2 H 1 2.04 0.02 . 2 . . . . 67 GLU HB2 . 18947 1 643 . 1 1 67 67 GLU HB3 H 1 1.93 0.02 . 2 . . . . 67 GLU HB3 . 18947 1 644 . 1 1 67 67 GLU HG2 H 1 2.24 0.02 . 2 . . . . 67 GLU HG2 . 18947 1 645 . 1 1 67 67 GLU HG3 H 1 2.24 0.02 . 2 . . . . 67 GLU HG3 . 18947 1 646 . 1 1 67 67 GLU C C 13 175.8 0.3 . 1 . . . . 67 GLU C . 18947 1 647 . 1 1 67 67 GLU CA C 13 56.9 0.3 . 1 . . . . 67 GLU CA . 18947 1 648 . 1 1 67 67 GLU CB C 13 30.4 0.3 . 1 . . . . 67 GLU CB . 18947 1 649 . 1 1 67 67 GLU CG C 13 35.9 0.3 . 1 . . . . 67 GLU CG . 18947 1 650 . 1 1 67 67 GLU N N 15 123.0 0.3 . 1 . . . . 67 GLU N . 18947 1 651 . 1 1 68 68 SER H H 1 8.25 0.02 . 1 . . . . 68 SER H . 18947 1 652 . 1 1 68 68 SER HA H 1 4.45 0.02 . 1 . . . . 68 SER HA . 18947 1 653 . 1 1 68 68 SER HB2 H 1 3.84 0.02 . 2 . . . . 68 SER HB2 . 18947 1 654 . 1 1 68 68 SER HB3 H 1 3.84 0.02 . 2 . . . . 68 SER HB3 . 18947 1 655 . 1 1 68 68 SER C C 13 173.8 0.3 . 1 . . . . 68 SER C . 18947 1 656 . 1 1 68 68 SER CA C 13 58.4 0.3 . 1 . . . . 68 SER CA . 18947 1 657 . 1 1 68 68 SER CB C 13 63.7 0.3 . 1 . . . . 68 SER CB . 18947 1 658 . 1 1 68 68 SER N N 15 116.8 0.3 . 1 . . . . 68 SER N . 18947 1 659 . 1 1 69 69 ILE H H 1 8.10 0.02 . 1 . . . . 69 ILE H . 18947 1 660 . 1 1 69 69 ILE HA H 1 4.17 0.02 . 1 . . . . 69 ILE HA . 18947 1 661 . 1 1 69 69 ILE HB H 1 1.88 0.02 . 1 . . . . 69 ILE HB . 18947 1 662 . 1 1 69 69 ILE HG12 H 1 1.44 0.02 . 2 . . . . 69 ILE HG12 . 18947 1 663 . 1 1 69 69 ILE HG13 H 1 1.17 0.02 . 2 . . . . 69 ILE HG13 . 18947 1 664 . 1 1 69 69 ILE HG21 H 1 0.89 0.02 . 1 . . . . 69 ILE MG . 18947 1 665 . 1 1 69 69 ILE HG22 H 1 0.89 0.02 . 1 . . . . 69 ILE MG . 18947 1 666 . 1 1 69 69 ILE HG23 H 1 0.89 0.02 . 1 . . . . 69 ILE MG . 18947 1 667 . 1 1 69 69 ILE HD11 H 1 0.85 0.02 . 1 . . . . 69 ILE MD . 18947 1 668 . 1 1 69 69 ILE HD12 H 1 0.85 0.02 . 1 . . . . 69 ILE MD . 18947 1 669 . 1 1 69 69 ILE HD13 H 1 0.85 0.02 . 1 . . . . 69 ILE MD . 18947 1 670 . 1 1 69 69 ILE C C 13 175.5 0.3 . 1 . . . . 69 ILE C . 18947 1 671 . 1 1 69 69 ILE CA C 13 61.4 0.3 . 1 . . . . 69 ILE CA . 18947 1 672 . 1 1 69 69 ILE CB C 13 38.6 0.3 . 1 . . . . 69 ILE CB . 18947 1 673 . 1 1 69 69 ILE CG1 C 13 27.2 0.3 . 1 . . . . 69 ILE CG1 . 18947 1 674 . 1 1 69 69 ILE CG2 C 13 17.6 0.3 . 1 . . . . 69 ILE CG2 . 18947 1 675 . 1 1 69 69 ILE CD1 C 13 13.2 0.3 . 1 . . . . 69 ILE CD1 . 18947 1 676 . 1 1 69 69 ILE N N 15 122.6 0.3 . 1 . . . . 69 ILE N . 18947 1 677 . 1 1 70 70 MET H H 1 8.33 0.02 . 1 . . . . 70 MET H . 18947 1 678 . 1 1 70 70 MET HA H 1 4.51 0.02 . 1 . . . . 70 MET HA . 18947 1 679 . 1 1 70 70 MET HB2 H 1 2.10 0.02 . 2 . . . . 70 MET HB2 . 18947 1 680 . 1 1 70 70 MET HB3 H 1 1.99 0.02 . 2 . . . . 70 MET HB3 . 18947 1 681 . 1 1 70 70 MET HG2 H 1 2.61 0.02 . 2 . . . . 70 MET HG2 . 18947 1 682 . 1 1 70 70 MET HG3 H 1 2.52 0.02 . 2 . . . . 70 MET HG3 . 18947 1 683 . 1 1 70 70 MET C C 13 175.1 0.3 . 1 . . . . 70 MET C . 18947 1 684 . 1 1 70 70 MET CA C 13 55.4 0.3 . 1 . . . . 70 MET CA . 18947 1 685 . 1 1 70 70 MET CB C 13 32.9 0.3 . 1 . . . . 70 MET CB . 18947 1 686 . 1 1 70 70 MET CG C 13 32.1 0.3 . 1 . . . . 70 MET CG . 18947 1 687 . 1 1 70 70 MET N N 15 123.5 0.3 . 1 . . . . 70 MET N . 18947 1 688 . 1 1 71 71 ASP H H 1 8.28 0.02 . 1 . . . . 71 ASP H . 18947 1 689 . 1 1 71 71 ASP HA H 1 4.62 0.02 . 1 . . . . 71 ASP HA . 18947 1 690 . 1 1 71 71 ASP HB2 H 1 2.73 0.02 . 2 . . . . 71 ASP HB2 . 18947 1 691 . 1 1 71 71 ASP HB3 H 1 2.60 0.02 . 2 . . . . 71 ASP HB3 . 18947 1 692 . 1 1 71 71 ASP C C 13 174.4 0.3 . 1 . . . . 71 ASP C . 18947 1 693 . 1 1 71 71 ASP CA C 13 54.6 0.3 . 1 . . . . 71 ASP CA . 18947 1 694 . 1 1 71 71 ASP CB C 13 41.1 0.3 . 1 . . . . 71 ASP CB . 18947 1 695 . 1 1 71 71 ASP N N 15 122.4 0.3 . 1 . . . . 71 ASP N . 18947 1 696 . 1 1 72 72 GLN H H 1 7.82 0.02 . 1 . . . . 72 GLN H . 18947 1 697 . 1 1 72 72 GLN HA H 1 4.16 0.02 . 1 . . . . 72 GLN HA . 18947 1 698 . 1 1 72 72 GLN HB2 H 1 2.11 0.02 . 2 . . . . 72 GLN HB2 . 18947 1 699 . 1 1 72 72 GLN HB3 H 1 1.91 0.02 . 2 . . . . 72 GLN HB3 . 18947 1 700 . 1 1 72 72 GLN HG2 H 1 2.29 0.02 . 2 . . . . 72 GLN HG2 . 18947 1 701 . 1 1 72 72 GLN HG3 H 1 2.29 0.02 . 2 . . . . 72 GLN HG3 . 18947 1 702 . 1 1 72 72 GLN HE21 H 1 6.81 0.02 . 2 . . . . 72 GLN HE21 . 18947 1 703 . 1 1 72 72 GLN HE22 H 1 7.53 0.02 . 2 . . . . 72 GLN HE22 . 18947 1 704 . 1 1 72 72 GLN CA C 13 57.4 0.3 . 1 . . . . 72 GLN CA . 18947 1 705 . 1 1 72 72 GLN CB C 13 30.7 0.3 . 1 . . . . 72 GLN CB . 18947 1 706 . 1 1 72 72 GLN CG C 13 34.3 0.3 . 1 . . . . 72 GLN CG . 18947 1 707 . 1 1 72 72 GLN N N 15 125.0 0.3 . 1 . . . . 72 GLN N . 18947 1 708 . 1 1 72 72 GLN NE2 N 15 112.1 0.3 . 1 . . . . 72 GLN NE2 . 18947 1 stop_ save_