data_17993 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17993 _Entry.Title ; A coiled-coil scaffold for GPCR loop investigations ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-10-11 _Entry.Accession_date 2011-10-11 _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 . _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 John Young . K. . 17993 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17993 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 348 17993 '15N chemical shifts' 78 17993 '1H chemical shifts' 487 17993 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 . . 2013-04-12 2011-10-11 update BMRB 'update entry citation' 17993 1 . . 2013-01-07 2011-10-11 original author 'original release' 17993 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LQ4 'BMRB Entry Tracking System' 17993 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17993 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23434648 _Citation.Full_citation . _Citation.Title 'Structural Characterization of an LPA1 Second Extracellular Loop Mimetic with a Self-Assembling Coiled-Coil Folding Constraint.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Int. J. Mol. Sci.' _Citation.Journal_name_full 'International journal of molecular sciences' _Citation.Journal_volume 14 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2788 _Citation.Page_last 2807 _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 John Young . K. . 17993 1 2 Benjamin Clayton . T. . 17993 1 3 Alexandra Kikonyogo . . . 17993 1 4 Truc-Chi Pham . T. . 17993 1 5 Abby Parrill . L. . 17993 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'coiled coil' 17993 1 LPA1 17993 1 'NMR chemical shift assignments' 17993 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17993 _Assembly.ID 1 _Assembly.Name EC2 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 EC2 1 $EC2 A . yes native no no . . . 17993 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_EC2 _Entity.Sf_category entity _Entity.Sf_framecode EC2 _Entity.Entry_ID 17993 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name EC2 _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 ; MQALEKELAQNEWELQALEK ELAQLEKELQAWNCICDIEN CSNMAPLYSDQALKKKLAQL KWKLQALKKKNAQLKKKLQA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 80 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 2LQ4 . "Structural Characterization Of An Lpa1 Second Extracellular Loop Mimetic With A Self-assembling Coiled-coil Folding Constraint" . . . . . 100.00 80 100.00 100.00 3.20e-43 . . . . 17993 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 . MET . 17993 1 2 . GLN . 17993 1 3 . ALA . 17993 1 4 . LEU . 17993 1 5 . GLU . 17993 1 6 . LYS . 17993 1 7 . GLU . 17993 1 8 . LEU . 17993 1 9 . ALA . 17993 1 10 . GLN . 17993 1 11 . ASN . 17993 1 12 . GLU . 17993 1 13 . TRP . 17993 1 14 . GLU . 17993 1 15 . LEU . 17993 1 16 . GLN . 17993 1 17 . ALA . 17993 1 18 . LEU . 17993 1 19 . GLU . 17993 1 20 . LYS . 17993 1 21 . GLU . 17993 1 22 . LEU . 17993 1 23 . ALA . 17993 1 24 . GLN . 17993 1 25 . LEU . 17993 1 26 . GLU . 17993 1 27 . LYS . 17993 1 28 . GLU . 17993 1 29 . LEU . 17993 1 30 . GLN . 17993 1 31 . ALA . 17993 1 32 . TRP . 17993 1 33 . ASN . 17993 1 34 . CYS . 17993 1 35 . ILE . 17993 1 36 . CYS . 17993 1 37 . ASP . 17993 1 38 . ILE . 17993 1 39 . GLU . 17993 1 40 . ASN . 17993 1 41 . CYS . 17993 1 42 . SER . 17993 1 43 . ASN . 17993 1 44 . MET . 17993 1 45 . ALA . 17993 1 46 . PRO . 17993 1 47 . LEU . 17993 1 48 . TYR . 17993 1 49 . SER . 17993 1 50 . ASP . 17993 1 51 . GLN . 17993 1 52 . ALA . 17993 1 53 . LEU . 17993 1 54 . LYS . 17993 1 55 . LYS . 17993 1 56 . LYS . 17993 1 57 . LEU . 17993 1 58 . ALA . 17993 1 59 . GLN . 17993 1 60 . LEU . 17993 1 61 . LYS . 17993 1 62 . TRP . 17993 1 63 . LYS . 17993 1 64 . LEU . 17993 1 65 . GLN . 17993 1 66 . ALA . 17993 1 67 . LEU . 17993 1 68 . LYS . 17993 1 69 . LYS . 17993 1 70 . LYS . 17993 1 71 . ASN . 17993 1 72 . ALA . 17993 1 73 . GLN . 17993 1 74 . LEU . 17993 1 75 . LYS . 17993 1 76 . LYS . 17993 1 77 . LYS . 17993 1 78 . LEU . 17993 1 79 . GLN . 17993 1 80 . ALA . 17993 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17993 1 . GLN 2 2 17993 1 . ALA 3 3 17993 1 . LEU 4 4 17993 1 . GLU 5 5 17993 1 . LYS 6 6 17993 1 . GLU 7 7 17993 1 . LEU 8 8 17993 1 . ALA 9 9 17993 1 . GLN 10 10 17993 1 . ASN 11 11 17993 1 . GLU 12 12 17993 1 . TRP 13 13 17993 1 . GLU 14 14 17993 1 . LEU 15 15 17993 1 . GLN 16 16 17993 1 . ALA 17 17 17993 1 . LEU 18 18 17993 1 . GLU 19 19 17993 1 . LYS 20 20 17993 1 . GLU 21 21 17993 1 . LEU 22 22 17993 1 . ALA 23 23 17993 1 . GLN 24 24 17993 1 . LEU 25 25 17993 1 . GLU 26 26 17993 1 . LYS 27 27 17993 1 . GLU 28 28 17993 1 . LEU 29 29 17993 1 . GLN 30 30 17993 1 . ALA 31 31 17993 1 . TRP 32 32 17993 1 . ASN 33 33 17993 1 . CYS 34 34 17993 1 . ILE 35 35 17993 1 . CYS 36 36 17993 1 . ASP 37 37 17993 1 . ILE 38 38 17993 1 . GLU 39 39 17993 1 . ASN 40 40 17993 1 . CYS 41 41 17993 1 . SER 42 42 17993 1 . ASN 43 43 17993 1 . MET 44 44 17993 1 . ALA 45 45 17993 1 . PRO 46 46 17993 1 . LEU 47 47 17993 1 . TYR 48 48 17993 1 . SER 49 49 17993 1 . ASP 50 50 17993 1 . GLN 51 51 17993 1 . ALA 52 52 17993 1 . LEU 53 53 17993 1 . LYS 54 54 17993 1 . LYS 55 55 17993 1 . LYS 56 56 17993 1 . LEU 57 57 17993 1 . ALA 58 58 17993 1 . GLN 59 59 17993 1 . LEU 60 60 17993 1 . LYS 61 61 17993 1 . TRP 62 62 17993 1 . LYS 63 63 17993 1 . LEU 64 64 17993 1 . GLN 65 65 17993 1 . ALA 66 66 17993 1 . LEU 67 67 17993 1 . LYS 68 68 17993 1 . LYS 69 69 17993 1 . LYS 70 70 17993 1 . ASN 71 71 17993 1 . ALA 72 72 17993 1 . GLN 73 73 17993 1 . LEU 74 74 17993 1 . LYS 75 75 17993 1 . LYS 76 76 17993 1 . LYS 77 77 17993 1 . LEU 78 78 17993 1 . GLN 79 79 17993 1 . ALA 80 80 17993 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 17993 _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 $EC2 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 17993 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 17993 _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 $EC2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-32 . . . . . . 17993 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17993 _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 EC2 '[U-100% 13C; U-100% 15N]' . . 1 $EC2 . . 1.0 . . mM . . . . 17993 1 2 Tris 'natural abundance' . . . . . . 50 . . mM . . . . 17993 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 17993 _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' 50 . mM 17993 1 pH 6.0 . pH 17993 1 pressure 1 . atm 17993 1 temperature 298 . K 17993 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17993 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Zhengrong and Bax' . . 17993 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17993 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 17993 _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 17993 _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 . . . 17993 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 17993 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17993 1 2 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17993 1 3 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17993 1 4 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17993 1 5 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17993 1 6 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17993 1 7 '3D HCACO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17993 1 8 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17993 1 9 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17993 1 10 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17993 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 17993 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $NMRPipe _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 17993 _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 TSP 'methyl protons' . . . . ppm 0 external direct . . . . . . . . . . 17993 1 H 1 TSP 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . . . . . 17993 1 N 15 TSP 'methyl protons' . . . . ppm 0 external direct . . . . . . . . . . 17993 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 17993 _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' . . . 17993 1 2 '2D 1H-13C HSQC' . . . 17993 1 3 '3D HNCA' . . . 17993 1 4 '3D HN(CO)CA' . . . 17993 1 5 '3D HNCACB' . . . 17993 1 6 '3D HNCO' . . . 17993 1 7 '3D HCACO' . . . 17993 1 8 '3D H(CCO)NH' . . . 17993 1 9 '3D HCCH-TOCSY' . . . 17993 1 10 '3D 1H-15N NOESY' . . . 17993 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.30 0.05 . 1 . . . . 1 MET HA . 17993 1 2 . 1 1 1 1 MET HB2 H 1 1.60 0.05 . 2 . . . . 1 MET HB2 . 17993 1 3 . 1 1 1 1 MET HG2 H 1 2.34 0.05 . 2 . . . . 1 MET HG2 . 17993 1 4 . 1 1 1 1 MET HE1 H 1 2.07 0.05 . 1 . . . . 1 MET ME . 17993 1 5 . 1 1 1 1 MET HE2 H 1 2.07 0.05 . 1 . . . . 1 MET ME . 17993 1 6 . 1 1 1 1 MET HE3 H 1 2.07 0.05 . 1 . . . . 1 MET ME . 17993 1 7 . 1 1 1 1 MET C C 13 176.14 0.50 . 1 . . . . 1 MET C . 17993 1 8 . 1 1 1 1 MET CA C 13 56.32 0.50 . 1 . . . . 1 MET CA . 17993 1 9 . 1 1 1 1 MET CB C 13 33.11 0.50 . 1 . . . . 1 MET CB . 17993 1 10 . 1 1 1 1 MET CG C 13 32.42 0.50 . 1 . . . . 1 MET CG . 17993 1 11 . 1 1 1 1 MET CE C 13 16.96 0.50 . 1 . . . . 1 MET CE . 17993 1 12 . 1 1 2 2 GLN H H 1 8.48 0.05 . 1 . . . . 2 GLN H . 17993 1 13 . 1 1 2 2 GLN HA H 1 4.27 0.05 . 1 . . . . 2 GLN HA . 17993 1 14 . 1 1 2 2 GLN HB2 H 1 2.32 0.05 . 2 . . . . 2 GLN HB2 . 17993 1 15 . 1 1 2 2 GLN HG2 H 1 2.32 0.05 . 2 . . . . 2 GLN HG2 . 17993 1 16 . 1 1 2 2 GLN C C 13 174.33 0.50 . 1 . . . . 2 GLN C . 17993 1 17 . 1 1 2 2 GLN CA C 13 55.93 0.50 . 1 . . . . 2 GLN CA . 17993 1 18 . 1 1 2 2 GLN CB C 13 29.94 0.50 . 1 . . . . 2 GLN CB . 17993 1 19 . 1 1 2 2 GLN CG C 13 33.94 0.50 . 1 . . . . 2 GLN CG . 17993 1 20 . 1 1 2 2 GLN N N 15 125.33 0.50 . 1 . . . . 2 GLN N . 17993 1 21 . 1 1 3 3 ALA H H 1 8.05 0.05 . 1 . . . . 3 ALA H . 17993 1 22 . 1 1 3 3 ALA HA H 1 4.08 0.05 . 1 . . . . 3 ALA HA . 17993 1 23 . 1 1 3 3 ALA HB1 H 1 1.30 0.50 . 1 . . . . 3 ALA MB . 17993 1 24 . 1 1 3 3 ALA HB2 H 1 1.30 0.50 . 1 . . . . 3 ALA MB . 17993 1 25 . 1 1 3 3 ALA HB3 H 1 1.30 0.50 . 1 . . . . 3 ALA MB . 17993 1 26 . 1 1 3 3 ALA C C 13 182.46 0.50 . 1 . . . . 3 ALA C . 17993 1 27 . 1 1 3 3 ALA CA C 13 53.93 0.50 . 1 . . . . 3 ALA CA . 17993 1 28 . 1 1 3 3 ALA CB C 13 20.13 0.50 . 1 . . . . 3 ALA CB . 17993 1 29 . 1 1 3 3 ALA N N 15 131.8 0.50 . 1 . . . . 3 ALA N . 17993 1 30 . 1 1 4 4 LEU H H 1 7.80 0.05 . 1 . . . . 4 LEU H . 17993 1 31 . 1 1 4 4 LEU HA H 1 3.98 0.05 . 1 . . . . 4 LEU HA . 17993 1 32 . 1 1 4 4 LEU HB2 H 1 1.92 0.05 . 2 . . . . 4 LEU HB2 . 17993 1 33 . 1 1 4 4 LEU HG H 1 1.52 0.05 . 1 . . . . 4 LEU HG . 17993 1 34 . 1 1 4 4 LEU HD11 H 1 0.92 0.05 . 1 . . . . 4 LEU MD1 . 17993 1 35 . 1 1 4 4 LEU HD12 H 1 0.92 0.05 . 1 . . . . 4 LEU MD1 . 17993 1 36 . 1 1 4 4 LEU HD13 H 1 0.92 0.05 . 1 . . . . 4 LEU MD1 . 17993 1 37 . 1 1 4 4 LEU HD21 H 1 0.98 0.05 . 1 . . . . 4 LEU MD2 . 17993 1 38 . 1 1 4 4 LEU HD22 H 1 0.98 0.05 . 1 . . . . 4 LEU MD2 . 17993 1 39 . 1 1 4 4 LEU HD23 H 1 0.98 0.05 . 1 . . . . 4 LEU MD2 . 17993 1 40 . 1 1 4 4 LEU C C 13 179.2 0.50 . 1 . . . . 4 LEU C . 17993 1 41 . 1 1 4 4 LEU CA C 13 59.74 0.50 . 1 . . . . 4 LEU CA . 17993 1 42 . 1 1 4 4 LEU CB C 13 41.00 0.50 . 1 . . . . 4 LEU CB . 17993 1 43 . 1 1 4 4 LEU CG C 13 27.28 0.50 . 1 . . . . 4 LEU CG . 17993 1 44 . 1 1 4 4 LEU CD1 C 13 20.14 0.50 . 1 . . . . 4 LEU CD1 . 17993 1 45 . 1 1 4 4 LEU CD2 C 13 22.41 0.50 . 1 . . . . 4 LEU CD2 . 17993 1 46 . 1 1 4 4 LEU N N 15 121.4 0.50 . 1 . . . . 4 LEU N . 17993 1 47 . 1 1 5 5 GLU H H 1 8.72 0.05 . 1 . . . . 5 GLU H . 17993 1 48 . 1 1 5 5 GLU HA H 1 4.10 0.05 . 1 . . . . 5 GLU HA . 17993 1 49 . 1 1 5 5 GLU HB2 H 1 1.91 0.05 . 2 . . . . 5 GLU HB2 . 17993 1 50 . 1 1 5 5 GLU HG2 H 1 2.50 0.05 . 2 . . . . 5 GLU HG2 . 17993 1 51 . 1 1 5 5 GLU C C 13 179.02 0.50 . 1 . . . . 5 GLU C . 17993 1 52 . 1 1 5 5 GLU CA C 13 60.18 0.50 . 1 . . . . 5 GLU CA . 17993 1 53 . 1 1 5 5 GLU CB C 13 29.39 0.50 . 1 . . . . 5 GLU CB . 17993 1 54 . 1 1 5 5 GLU CG C 13 37.12 0.50 . 1 . . . . 5 GLU CG . 17993 1 55 . 1 1 5 5 GLU N N 15 118.14 0.50 . 1 . . . . 5 GLU N . 17993 1 56 . 1 1 6 6 LYS H H 1 7.87 0.05 . 1 . . . . 6 LYS H . 17993 1 57 . 1 1 6 6 LYS HA H 1 4.17 0.05 . 1 . . . . 6 LYS HA . 17993 1 58 . 1 1 6 6 LYS HB2 H 1 1.92 0.05 . 2 . . . . 6 LYS HB2 . 17993 1 59 . 1 1 6 6 LYS HG2 H 1 1.53 0.05 . 2 . . . . 6 LYS HG2 . 17993 1 60 . 1 1 6 6 LYS HD2 H 1 1.38 0.05 . 1 . . . . 6 LYS HD2 . 17993 1 61 . 1 1 6 6 LYS HD3 H 1 1.69 0.05 . 1 . . . . 6 LYS HD3 . 17993 1 62 . 1 1 6 6 LYS HE2 H 1 2.81 0.05 . 2 . . . . 6 LYS HE2 . 17993 1 63 . 1 1 6 6 LYS C C 13 179.65 0.50 . 1 . . . . 6 LYS C . 17993 1 64 . 1 1 6 6 LYS CA C 13 59.59 0.50 . 1 . . . . 6 LYS CA . 17993 1 65 . 1 1 6 6 LYS CB C 13 32.32 0.50 . 1 . . . . 6 LYS CB . 17993 1 66 . 1 1 6 6 LYS CG C 13 29.43 0.50 . 1 . . . . 6 LYS CG . 17993 1 67 . 1 1 6 6 LYS CD C 13 26.88 0.50 . 1 . . . . 6 LYS CD . 17993 1 68 . 1 1 6 6 LYS CE C 13 42.03 0.50 . 1 . . . . 6 LYS CE . 17993 1 69 . 1 1 6 6 LYS N N 15 122.06 0.50 . 1 . . . . 6 LYS N . 17993 1 70 . 1 1 7 7 GLU H H 1 7.88 0.05 . 1 . . . . 7 GLU H . 17993 1 71 . 1 1 7 7 GLU HA H 1 4.17 0.05 . 1 . . . . 7 GLU HA . 17993 1 72 . 1 1 7 7 GLU HB2 H 1 2.02 0.05 . 1 . . . . 7 GLU HB2 . 17993 1 73 . 1 1 7 7 GLU HB3 H 1 2.16 0.05 . 1 . . . . 7 GLU HB3 . 17993 1 74 . 1 1 7 7 GLU HG2 H 1 2.24 0.05 . 1 . . . . 7 GLU HG2 . 17993 1 75 . 1 1 7 7 GLU HG3 H 1 2.40 0.05 . 1 . . . . 7 GLU HG3 . 17993 1 76 . 1 1 7 7 GLU C C 13 179.24 0.50 . 1 . . . . 7 GLU C . 17993 1 77 . 1 1 7 7 GLU CA C 13 60.02 0.50 . 1 . . . . 7 GLU CA . 17993 1 78 . 1 1 7 7 GLU CB C 13 26.94 0.50 . 1 . . . . 7 GLU CB . 17993 1 79 . 1 1 7 7 GLU CG C 13 32.56 0.50 . 1 . . . . 7 GLU CG . 17993 1 80 . 1 1 7 7 GLU N N 15 120.86 0.50 . 1 . . . . 7 GLU N . 17993 1 81 . 1 1 8 8 LEU H H 1 8.52 0.05 . 1 . . . . 8 LEU H . 17993 1 82 . 1 1 8 8 LEU HA H 1 4.15 0.05 . 1 . . . . 8 LEU HA . 17993 1 83 . 1 1 8 8 LEU HB2 H 1 1.94 0.05 . 2 . . . . 8 LEU HB2 . 17993 1 84 . 1 1 8 8 LEU HG H 1 1.62 0.05 . 1 . . . . 8 LEU HG . 17993 1 85 . 1 1 8 8 LEU HD11 H 1 0.87 0.05 . 1 . . . . 8 LEU MD1 . 17993 1 86 . 1 1 8 8 LEU HD12 H 1 0.87 0.05 . 1 . . . . 8 LEU MD1 . 17993 1 87 . 1 1 8 8 LEU HD13 H 1 0.87 0.05 . 1 . . . . 8 LEU MD1 . 17993 1 88 . 1 1 8 8 LEU HD21 H 1 0.97 0.05 . 1 . . . . 8 LEU MD2 . 17993 1 89 . 1 1 8 8 LEU HD22 H 1 0.97 0.05 . 1 . . . . 8 LEU MD2 . 17993 1 90 . 1 1 8 8 LEU HD23 H 1 0.97 0.05 . 1 . . . . 8 LEU MD2 . 17993 1 91 . 1 1 8 8 LEU C C 13 177.44 0.50 . 1 . . . . 8 LEU C . 17993 1 92 . 1 1 8 8 LEU CA C 13 58.38 0.50 . 1 . . . . 8 LEU CA . 17993 1 93 . 1 1 8 8 LEU CB C 13 41.29 0.50 . 1 . . . . 8 LEU CB . 17993 1 94 . 1 1 8 8 LEU CG C 13 27.65 0.50 . 1 . . . . 8 LEU CG . 17993 1 95 . 1 1 8 8 LEU CD1 C 13 26.75 0.50 . 1 . . . . 8 LEU CD1 . 17993 1 96 . 1 1 8 8 LEU CD2 C 13 26.75 0.50 . 1 . . . . 8 LEU CD2 . 17993 1 97 . 1 1 8 8 LEU N N 15 121.58 0.50 . 1 . . . . 8 LEU N . 17993 1 98 . 1 1 9 9 ALA H H 1 7.97 0.05 . 1 . . . . 9 ALA H . 17993 1 99 . 1 1 9 9 ALA HA H 1 4.05 0.05 . 1 . . . . 9 ALA HA . 17993 1 100 . 1 1 9 9 ALA HB1 H 1 1.46 0.05 . 1 . . . . 9 ALA MB . 17993 1 101 . 1 1 9 9 ALA HB2 H 1 1.46 0.05 . 1 . . . . 9 ALA MB . 17993 1 102 . 1 1 9 9 ALA HB3 H 1 1.46 0.05 . 1 . . . . 9 ALA MB . 17993 1 103 . 1 1 9 9 ALA C C 13 180.92 0.50 . 1 . . . . 9 ALA C . 17993 1 104 . 1 1 9 9 ALA CA C 13 55.40 0.50 . 1 . . . . 9 ALA CA . 17993 1 105 . 1 1 9 9 ALA CB C 13 17.85 0.50 . 1 . . . . 9 ALA CB . 17993 1 106 . 1 1 9 9 ALA N N 15 121.52 0.50 . 1 . . . . 9 ALA N . 17993 1 107 . 1 1 10 10 GLN H H 1 8.03 0.05 . 1 . . . . 10 GLN H . 17993 1 108 . 1 1 10 10 GLN HA H 1 4.15 0.05 . 1 . . . . 10 GLN HA . 17993 1 109 . 1 1 10 10 GLN HB2 H 1 2.16 0.05 . 1 . . . . 10 GLN HB2 . 17993 1 110 . 1 1 10 10 GLN HB3 H 1 2.22 0.05 . 1 . . . . 10 GLN HB3 . 17993 1 111 . 1 1 10 10 GLN HG2 H 1 2.49 0.05 . 2 . . . . 10 GLN HG2 . 17993 1 112 . 1 1 10 10 GLN C C 13 177.85 0.50 . 1 . . . . 10 GLN C . 17993 1 113 . 1 1 10 10 GLN CA C 13 58.79 0.50 . 1 . . . . 10 GLN CA . 17993 1 114 . 1 1 10 10 GLN CB C 13 28.15 0.50 . 1 . . . . 10 GLN CB . 17993 1 115 . 1 1 10 10 GLN CG C 13 33.52 0.50 . 1 . . . . 10 GLN CG . 17993 1 116 . 1 1 10 10 GLN N N 15 118.38 0.50 . 1 . . . . 10 GLN N . 17993 1 117 . 1 1 11 11 ASN H H 1 8.15 0.05 . 1 . . . . 11 ASN H . 17993 1 118 . 1 1 11 11 ASN HA H 1 4.50 0.05 . 1 . . . . 11 ASN HA . 17993 1 119 . 1 1 11 11 ASN HB2 H 1 2.90 0.05 . 1 . . . . 11 ASN HB2 . 17993 1 120 . 1 1 11 11 ASN HB3 H 1 2.98 0.05 . 1 . . . . 11 ASN HB3 . 17993 1 121 . 1 1 11 11 ASN HD21 H 1 6.82 0.05 . 1 . . . . 11 ASN HD21 . 17993 1 122 . 1 1 11 11 ASN HD22 H 1 7.66 0.05 . 1 . . . . 11 ASN HD22 . 17993 1 123 . 1 1 11 11 ASN C C 13 176.77 0.50 . 1 . . . . 11 ASN C . 17993 1 124 . 1 1 11 11 ASN CA C 13 57.58 0.50 . 1 . . . . 11 ASN CA . 17993 1 125 . 1 1 11 11 ASN CB C 13 40.49 0.50 . 1 . . . . 11 ASN CB . 17993 1 126 . 1 1 11 11 ASN N N 15 120.48 0.50 . 1 . . . . 11 ASN N . 17993 1 127 . 1 1 12 12 GLU H H 1 8.87 0.05 . 1 . . . . 12 GLU H . 17993 1 128 . 1 1 12 12 GLU HA H 1 4.12 0.05 . 1 . . . . 12 GLU HA . 17993 1 129 . 1 1 12 12 GLU HB2 H 1 2.07 0.05 . 1 . . . . 12 GLU HB2 . 17993 1 130 . 1 1 12 12 GLU HB3 H 1 2.22 0.05 . 1 . . . . 12 GLU HB3 . 17993 1 131 . 1 1 12 12 GLU HG2 H 1 2.38 0.05 . 1 . . . . 12 GLU HG2 . 17993 1 132 . 1 1 12 12 GLU HG3 H 1 2.50 0.05 . 1 . . . . 12 GLU HG3 . 17993 1 133 . 1 1 12 12 GLU C C 13 179.65 0.50 . 1 . . . . 12 GLU C . 17993 1 134 . 1 1 12 12 GLU CA C 13 59.90 0.50 . 1 . . . . 12 GLU CA . 17993 1 135 . 1 1 12 12 GLU CB C 13 29.00 0.50 . 1 . . . . 12 GLU CB . 17993 1 136 . 1 1 12 12 GLU CG C 13 36.78 0.50 . 1 . . . . 12 GLU CG . 17993 1 137 . 1 1 12 12 GLU N N 15 118.15 0.50 . 1 . . . . 12 GLU N . 17993 1 138 . 1 1 13 13 TRP H H 1 8.08 0.05 . 1 . . . . 13 TRP H . 17993 1 139 . 1 1 13 13 TRP HA H 1 4.36 0.05 . 1 . . . . 13 TRP HA . 17993 1 140 . 1 1 13 13 TRP HB2 H 1 3.42 0.05 . 1 . . . . 13 TRP HB2 . 17993 1 141 . 1 1 13 13 TRP HB3 H 1 3.53 0.05 . 1 . . . . 13 TRP HB3 . 17993 1 142 . 1 1 13 13 TRP C C 13 178.86 0.50 . 1 . . . . 13 TRP C . 17993 1 143 . 1 1 13 13 TRP CA C 13 61.06 0.50 . 1 . . . . 13 TRP CA . 17993 1 144 . 1 1 13 13 TRP CB C 13 29.32 0.50 . 1 . . . . 13 TRP CB . 17993 1 145 . 1 1 13 13 TRP N N 15 121.55 0.50 . 1 . . . . 13 TRP N . 17993 1 146 . 1 1 14 14 GLU H H 1 8.08 0.05 . 1 . . . . 14 GLU H . 17993 1 147 . 1 1 14 14 GLU HA H 1 4.16 0.05 . 1 . . . . 14 GLU HA . 17993 1 148 . 1 1 14 14 GLU HB2 H 1 2.15 0.05 . 2 . . . . 14 GLU HB2 . 17993 1 149 . 1 1 14 14 GLU HG2 H 1 2.38 0.05 . 1 . . . . 14 GLU HG2 . 17993 1 150 . 1 1 14 14 GLU HG3 H 1 2.50 0.05 . 1 . . . . 14 GLU HG3 . 17993 1 151 . 1 1 14 14 GLU C C 13 179.46 0.50 . 1 . . . . 14 GLU C . 17993 1 152 . 1 1 14 14 GLU CA C 13 59.43 0.50 . 1 . . . . 14 GLU CA . 17993 1 153 . 1 1 14 14 GLU CB C 13 33.84 0.50 . 1 . . . . 14 GLU CB . 17993 1 154 . 1 1 14 14 GLU N N 15 121.42 0.50 . 1 . . . . 14 GLU N . 17993 1 155 . 1 1 15 15 LEU H H 1 8.43 0.05 . 1 . . . . 15 LEU H . 17993 1 156 . 1 1 15 15 LEU HA H 1 3.92 0.05 . 1 . . . . 15 LEU HA . 17993 1 157 . 1 1 15 15 LEU HB2 H 1 1.76 0.05 . 1 . . . . 15 LEU HB2 . 17993 1 158 . 1 1 15 15 LEU HB3 H 1 1.95 0.05 . 1 . . . . 15 LEU HB3 . 17993 1 159 . 1 1 15 15 LEU HG H 1 1.51 0.05 . 1 . . . . 15 LEU HG . 17993 1 160 . 1 1 15 15 LEU HD11 H 1 0.91 0.05 . 2 . . . . 15 LEU MD1 . 17993 1 161 . 1 1 15 15 LEU HD12 H 1 0.91 0.05 . 2 . . . . 15 LEU MD1 . 17993 1 162 . 1 1 15 15 LEU HD13 H 1 0.91 0.05 . 2 . . . . 15 LEU MD1 . 17993 1 163 . 1 1 15 15 LEU C C 13 178.70 0.50 . 1 . . . . 15 LEU C . 17993 1 164 . 1 1 15 15 LEU CA C 13 57.74 0.50 . 1 . . . . 15 LEU CA . 17993 1 165 . 1 1 15 15 LEU CB C 13 42.06 0.50 . 1 . . . . 15 LEU CB . 17993 1 166 . 1 1 15 15 LEU N N 15 120.23 0.50 . 1 . . . . 15 LEU N . 17993 1 167 . 1 1 16 16 GLN H H 1 8.29 0.05 . 1 . . . . 16 GLN H . 17993 1 168 . 1 1 16 16 GLN HA H 1 4.18 0.05 . 1 . . . . 16 GLN HA . 17993 1 169 . 1 1 16 16 GLN HB2 H 1 2.08 0.05 . 1 . . . . 16 GLN HB2 . 17993 1 170 . 1 1 16 16 GLN HB3 H 1 2.20 0.05 . 2 . . . . 16 GLN HB3 . 17993 1 171 . 1 1 16 16 GLN HG2 H 1 2.34 0.05 . 2 . . . . 16 GLN HG2 . 17993 1 172 . 1 1 16 16 GLN C C 13 177.92 0.50 . 1 . . . . 16 GLN C . 17993 1 173 . 1 1 16 16 GLN CA C 13 59.93 0.50 . 1 . . . . 16 GLN CA . 17993 1 174 . 1 1 16 16 GLN CB C 13 29.57 0.50 . 1 . . . . 16 GLN CB . 17993 1 175 . 1 1 16 16 GLN CG C 13 33.21 0.50 . 1 . . . . 16 GLN CG . 17993 1 176 . 1 1 16 16 GLN N N 15 117.99 0.50 . 1 . . . . 16 GLN N . 17993 1 177 . 1 1 17 17 ALA H H 1 7.87 0.05 . 1 . . . . 17 ALA H . 17993 1 178 . 1 1 17 17 ALA HA H 1 4.24 0.05 . 1 . . . . 17 ALA HA . 17993 1 179 . 1 1 17 17 ALA HB1 H 1 1.14 0.05 . 1 . . . . 17 ALA MB . 17993 1 180 . 1 1 17 17 ALA HB2 H 1 1.14 0.05 . 1 . . . . 17 ALA MB . 17993 1 181 . 1 1 17 17 ALA HB3 H 1 1.14 0.05 . 1 . . . . 17 ALA MB . 17993 1 182 . 1 1 17 17 ALA C C 13 180.89 0.50 . 1 . . . . 17 ALA C . 17993 1 183 . 1 1 17 17 ALA CA C 13 54.97 0.50 . 1 . . . . 17 ALA CA . 17993 1 184 . 1 1 17 17 ALA CB C 13 17.52 0.50 . 1 . . . . 17 ALA CB . 17993 1 185 . 1 1 17 17 ALA N N 15 120.90 0.50 . 1 . . . . 17 ALA N . 17993 1 186 . 1 1 18 18 LEU H H 1 8.21 0.05 . 1 . . . . 18 LEU H . 17993 1 187 . 1 1 18 18 LEU HA H 1 3.94 0.05 . 1 . . . . 18 LEU HA . 17993 1 188 . 1 1 18 18 LEU HB2 H 1 1.84 0.05 . 1 . . . . 18 LEU HB2 . 17993 1 189 . 1 1 18 18 LEU HB3 H 1 1.97 0.05 . 1 . . . . 18 LEU HB3 . 17993 1 190 . 1 1 18 18 LEU HG H 1 1.66 0.05 . 1 . . . . 18 LEU HG . 17993 1 191 . 1 1 18 18 LEU HD11 H 1 0.93 0.05 . 2 . . . . 18 LEU MD1 . 17993 1 192 . 1 1 18 18 LEU HD12 H 1 0.93 0.05 . 2 . . . . 18 LEU MD1 . 17993 1 193 . 1 1 18 18 LEU HD13 H 1 0.93 0.05 . 2 . . . . 18 LEU MD1 . 17993 1 194 . 1 1 18 18 LEU C C 13 179.10 0.50 . 1 . . . . 18 LEU C . 17993 1 195 . 1 1 18 18 LEU CA C 13 57.64 0.50 . 1 . . . . 18 LEU CA . 17993 1 196 . 1 1 18 18 LEU CB C 13 41.83 0.50 . 1 . . . . 18 LEU CB . 17993 1 197 . 1 1 18 18 LEU CG C 13 26.15 0.50 . 1 . . . . 18 LEU CG . 17993 1 198 . 1 1 18 18 LEU CD1 C 13 25.40 0.50 . 2 . . . . 18 LEU CD1 . 17993 1 199 . 1 1 18 18 LEU N N 15 121.52 0.50 . 1 . . . . 18 LEU N . 17993 1 200 . 1 1 19 19 GLU H H 1 8.62 0.05 . 1 . . . . 19 GLU H . 17993 1 201 . 1 1 19 19 GLU HA H 1 4.07 0.05 . 1 . . . . 19 GLU HA . 17993 1 202 . 1 1 19 19 GLU HB2 H 1 2.10 0.05 . 1 . . . . 19 GLU HB2 . 17993 1 203 . 1 1 19 19 GLU HB3 H 1 2.16 0.05 . 1 . . . . 19 GLU HB3 . 17993 1 204 . 1 1 19 19 GLU HG2 H 1 2.52 0.05 . 2 . . . . 19 GLU HG2 . 17993 1 205 . 1 1 19 19 GLU C C 13 179.92 0.50 . 1 . . . . 19 GLU C . 17993 1 206 . 1 1 19 19 GLU CA C 13 60.44 0.50 . 1 . . . . 19 GLU CA . 17993 1 207 . 1 1 19 19 GLU CB C 13 29.33 0.50 . 1 . . . . 19 GLU CB . 17993 1 208 . 1 1 19 19 GLU CG C 13 37.41 0.50 . 1 . . . . 19 GLU CG . 17993 1 209 . 1 1 19 19 GLU N N 15 119.05 0.50 . 1 . . . . 19 GLU N . 17993 1 210 . 1 1 20 20 LYS H H 1 7.62 0.05 . 1 . . . . 20 LYS H . 17993 1 211 . 1 1 20 20 LYS HA H 1 3.95 0.05 . 1 . . . . 20 LYS HA . 17993 1 212 . 1 1 20 20 LYS HB2 H 1 1.65 0.05 . 1 . . . . 20 LYS HB2 . 17993 1 213 . 1 1 20 20 LYS HB3 H 1 1.91 0.05 . 1 . . . . 20 LYS HB3 . 17993 1 214 . 1 1 20 20 LYS HG2 H 1 1.64 0.05 . 2 . . . . 20 LYS HG2 . 17993 1 215 . 1 1 20 20 LYS HD2 H 1 1.49 0.05 . 2 . . . . 20 LYS HD2 . 17993 1 216 . 1 1 20 20 LYS HE2 H 1 2.95 0.05 . 2 . . . . 20 LYS HE2 . 17993 1 217 . 1 1 20 20 LYS C C 13 179.02 0.50 . 1 . . . . 20 LYS C . 17993 1 218 . 1 1 20 20 LYS CA C 13 59.64 0.50 . 1 . . . . 20 LYS CA . 17993 1 219 . 1 1 20 20 LYS CB C 13 32.30 0.50 . 1 . . . . 20 LYS CB . 17993 1 220 . 1 1 20 20 LYS CG C 13 29.17 0.50 . 1 . . . . 20 LYS CG . 17993 1 221 . 1 1 20 20 LYS CD C 13 27.97 0.50 . 1 . . . . 20 LYS CD . 17993 1 222 . 1 1 20 20 LYS CE C 13 39.15 0.50 . 1 . . . . 20 LYS CE . 17993 1 223 . 1 1 20 20 LYS N N 15 119.75 0.50 . 1 . . . . 20 LYS N . 17993 1 224 . 1 1 21 21 GLU H H 1 7.87 0.05 . 1 . . . . 21 GLU H . 17993 1 225 . 1 1 21 21 GLU HA H 1 4.02 0.05 . 1 . . . . 21 GLU HA . 17993 1 226 . 1 1 21 21 GLU HB2 H 1 2.17 0.05 . 2 . . . . 21 GLU HB2 . 17993 1 227 . 1 1 21 21 GLU HG2 H 1 2.17 0.05 . 1 . . . . 21 GLU HG2 . 17993 1 228 . 1 1 21 21 GLU HG3 H 1 2.36 0.05 . 1 . . . . 21 GLU HG3 . 17993 1 229 . 1 1 21 21 GLU C C 13 179.35 0.50 . 1 . . . . 21 GLU C . 17993 1 230 . 1 1 21 21 GLU CA C 13 59.70 0.50 . 1 . . . . 21 GLU CA . 17993 1 231 . 1 1 21 21 GLU CB C 13 29.76 0.50 . 1 . . . . 21 GLU CB . 17993 1 232 . 1 1 21 21 GLU CG C 13 36.37 0.50 . 1 . . . . 21 GLU CG . 17993 1 233 . 1 1 21 21 GLU N N 15 122.28 0.50 . 1 . . . . 21 GLU N . 17993 1 234 . 1 1 22 22 LEU H H 1 8.86 0.05 . 1 . . . . 22 LEU H . 17993 1 235 . 1 1 22 22 LEU HA H 1 3.95 0.05 . 1 . . . . 22 LEU HA . 17993 1 236 . 1 1 22 22 LEU HB2 H 1 1.81 0.05 . 2 . . . . 22 LEU HB2 . 17993 1 237 . 1 1 22 22 LEU HG H 1 1.65 0.05 . 1 . . . . 22 LEU HG . 17993 1 238 . 1 1 22 22 LEU HD11 H 1 0.93 0.05 . 2 . . . . 22 LEU MD1 . 17993 1 239 . 1 1 22 22 LEU HD12 H 1 0.93 0.05 . 2 . . . . 22 LEU MD1 . 17993 1 240 . 1 1 22 22 LEU HD13 H 1 0.93 0.05 . 2 . . . . 22 LEU MD1 . 17993 1 241 . 1 1 22 22 LEU C C 13 177.87 0.50 . 1 . . . . 22 LEU C . 17993 1 242 . 1 1 22 22 LEU CA C 13 58.53 0.50 . 1 . . . . 22 LEU CA . 17993 1 243 . 1 1 22 22 LEU CB C 13 42.02 0.50 . 1 . . . . 22 LEU CB . 17993 1 244 . 1 1 22 22 LEU CG C 13 26.02 0.50 . 1 . . . . 22 LEU CG . 17993 1 245 . 1 1 22 22 LEU CD1 C 13 26.63 0.50 . 2 . . . . 22 LEU CD1 . 17993 1 246 . 1 1 22 22 LEU N N 15 120.89 0.50 . 1 . . . . 22 LEU N . 17993 1 247 . 1 1 23 23 ALA H H 1 7.87 0.05 . 1 . . . . 23 ALA H . 17993 1 248 . 1 1 23 23 ALA HA H 1 4.09 0.05 . 1 . . . . 23 ALA HA . 17993 1 249 . 1 1 23 23 ALA HB1 H 1 1.51 0.05 . 1 . . . . 23 ALA MB . 17993 1 250 . 1 1 23 23 ALA HB2 H 1 1.51 0.05 . 1 . . . . 23 ALA MB . 17993 1 251 . 1 1 23 23 ALA HB3 H 1 1.51 0.05 . 1 . . . . 23 ALA MB . 17993 1 252 . 1 1 23 23 ALA C C 13 181.09 0.50 . 1 . . . . 23 ALA C . 17993 1 253 . 1 1 23 23 ALA CA C 13 55.06 0.50 . 1 . . . . 23 ALA CA . 17993 1 254 . 1 1 23 23 ALA CB C 13 17.95 0.50 . 1 . . . . 23 ALA CB . 17993 1 255 . 1 1 23 23 ALA N N 15 120.00 0.50 . 1 . . . . 23 ALA N . 17993 1 256 . 1 1 24 24 GLN H H 1 7.75 0.05 . 1 . . . . 24 GLN H . 17993 1 257 . 1 1 24 24 GLN HA H 1 4.22 0.05 . 1 . . . . 24 GLN HA . 17993 1 258 . 1 1 24 24 GLN HB2 H 1 2.49 0.05 . 1 . . . . 24 GLN HB2 . 17993 1 259 . 1 1 24 24 GLN HB3 H 1 2.26 0.05 . 1 . . . . 24 GLN HB3 . 17993 1 260 . 1 1 24 24 GLN HG2 H 1 2.47 0.05 . 2 . . . . 24 GLN HG2 . 17993 1 261 . 1 1 24 24 GLN C C 13 178.26 0.50 . 1 . . . . 24 GLN C . 17993 1 262 . 1 1 24 24 GLN CA C 13 58.69 0.50 . 1 . . . . 24 GLN CA . 17993 1 263 . 1 1 24 24 GLN CB C 13 28.08 0.50 . 1 . . . . 24 GLN CB . 17993 1 264 . 1 1 24 24 GLN CG C 13 34.15 0.50 . 1 . . . . 24 GLN CG . 17993 1 265 . 1 1 24 24 GLN N N 15 117.93 0.50 . 1 . . . . 24 GLN N . 17993 1 266 . 1 1 25 25 LEU H H 1 8.17 0.05 . 1 . . . . 25 LEU H . 17993 1 267 . 1 1 25 25 LEU HA H 1 4.09 0.05 . 1 . . . . 25 LEU HA . 17993 1 268 . 1 1 25 25 LEU HB2 H 1 1.42 0.05 . 2 . . . . 25 LEU HB2 . 17993 1 269 . 1 1 25 25 LEU HG H 1 1.30 0.05 . 1 . . . . 25 LEU HG . 17993 1 270 . 1 1 25 25 LEU HD11 H 1 0.90 0.05 . 2 . . . . 25 LEU MD1 . 17993 1 271 . 1 1 25 25 LEU HD12 H 1 0.90 0.05 . 2 . . . . 25 LEU MD1 . 17993 1 272 . 1 1 25 25 LEU HD13 H 1 0.90 0.05 . 2 . . . . 25 LEU MD1 . 17993 1 273 . 1 1 25 25 LEU C C 13 179.13 0.50 . 1 . . . . 25 LEU C . 17993 1 274 . 1 1 25 25 LEU CA C 13 57.58 0.50 . 1 . . . . 25 LEU CA . 17993 1 275 . 1 1 25 25 LEU CB C 13 42.09 0.50 . 1 . . . . 25 LEU CB . 17993 1 276 . 1 1 25 25 LEU CG C 13 25.71 0.50 . 1 . . . . 25 LEU CG . 17993 1 277 . 1 1 25 25 LEU CD1 C 13 23.84 0.50 . 2 . . . . 25 LEU CD1 . 17993 1 278 . 1 1 25 25 LEU N N 15 121.96 0.50 . 1 . . . . 25 LEU N . 17993 1 279 . 1 1 26 26 GLU H H 1 8.61 0.05 . 1 . . . . 26 GLU H . 17993 1 280 . 1 1 26 26 GLU HA H 1 4.39 0.05 . 1 . . . . 26 GLU HA . 17993 1 281 . 1 1 26 26 GLU HB2 H 1 2.16 0.05 . 2 . . . . 26 GLU HB2 . 17993 1 282 . 1 1 26 26 GLU HG2 H 1 2.39 0.05 . 1 . . . . 26 GLU HG2 . 17993 1 283 . 1 1 26 26 GLU HG3 H 1 2.50 0.05 . 1 . . . . 26 GLU HG3 . 17993 1 284 . 1 1 26 26 GLU C C 13 178.85 0.50 . 1 . . . . 26 GLU C . 17993 1 285 . 1 1 26 26 GLU CA C 13 59.75 0.50 . 1 . . . . 26 GLU CA . 17993 1 286 . 1 1 26 26 GLU CB C 13 29.30 0.50 . 1 . . . . 26 GLU CB . 17993 1 287 . 1 1 26 26 GLU CG C 13 32.28 0.50 . 1 . . . . 26 GLU CG . 17993 1 288 . 1 1 27 27 LYS H H 1 8.08 0.05 . 1 . . . . 27 LYS H . 17993 1 289 . 1 1 27 27 LYS HA H 1 3.58 0.05 . 1 . . . . 27 LYS HA . 17993 1 290 . 1 1 27 27 LYS HB2 H 1 1.93 0.05 . 2 . . . . 27 LYS HB2 . 17993 1 291 . 1 1 27 27 LYS HG2 H 1 1.48 0.05 . 2 . . . . 27 LYS HG2 . 17993 1 292 . 1 1 27 27 LYS HD2 H 1 1.67 0.05 . 2 . . . . 27 LYS HD2 . 17993 1 293 . 1 1 27 27 LYS HE2 H 1 3.00 0.05 . 2 . . . . 27 LYS HE2 . 17993 1 294 . 1 1 27 27 LYS C C 13 178.87 0.50 . 1 . . . . 27 LYS C . 17993 1 295 . 1 1 27 27 LYS CA C 13 61.06 0.50 . 1 . . . . 27 LYS CA . 17993 1 296 . 1 1 27 27 LYS CB C 13 28.59 0.50 . 1 . . . . 27 LYS CB . 17993 1 297 . 1 1 27 27 LYS CG C 13 26.15 0.50 . 1 . . . . 27 LYS CG . 17993 1 298 . 1 1 27 27 LYS CD C 13 27.21 0.50 . 1 . . . . 27 LYS CD . 17993 1 299 . 1 1 27 27 LYS CE C 13 41.98 0.50 . 1 . . . . 27 LYS CE . 17993 1 300 . 1 1 27 27 LYS N N 15 121.42 0.50 . 1 . . . . 27 LYS N . 17993 1 301 . 1 1 28 28 GLU H H 1 8.55 0.05 . 1 . . . . 28 GLU H . 17993 1 302 . 1 1 28 28 GLU HA H 1 3.85 0.05 . 1 . . . . 28 GLU HA . 17993 1 303 . 1 1 28 28 GLU HB2 H 1 2.10 0.05 . 2 . . . . 28 GLU HB2 . 17993 1 304 . 1 1 28 28 GLU HG2 H 1 2.15 0.05 . 1 . . . . 28 GLU HG2 . 17993 1 305 . 1 1 28 28 GLU HG3 H 1 2.34 0.05 . 1 . . . . 28 GLU HG3 . 17993 1 306 . 1 1 28 28 GLU C C 13 179.57 0.50 . 1 . . . . 28 GLU C . 17993 1 307 . 1 1 28 28 GLU CA C 13 59.83 0.50 . 1 . . . . 28 GLU CA . 17993 1 308 . 1 1 28 28 GLU CB C 13 29.91 0.50 . 1 . . . . 28 GLU CB . 17993 1 309 . 1 1 28 28 GLU CG C 13 36.26 0.50 . 1 . . . . 28 GLU CG . 17993 1 310 . 1 1 28 28 GLU N N 15 121.03 0.50 . 1 . . . . 28 GLU N . 17993 1 311 . 1 1 29 29 LEU H H 1 8.74 0.05 . 1 . . . . 29 LEU H . 17993 1 312 . 1 1 29 29 LEU HA H 1 3.93 0.05 . 1 . . . . 29 LEU HA . 17993 1 313 . 1 1 29 29 LEU HB2 H 1 1.89 0.05 . 2 . . . . 29 LEU HB2 . 17993 1 314 . 1 1 29 29 LEU HG H 1 1.64 0.05 . 1 . . . . 29 LEU HG . 17993 1 315 . 1 1 29 29 LEU HD11 H 1 0.93 0.05 . 1 . . . . 29 LEU MD1 . 17993 1 316 . 1 1 29 29 LEU HD12 H 1 0.93 0.05 . 1 . . . . 29 LEU MD1 . 17993 1 317 . 1 1 29 29 LEU HD13 H 1 0.93 0.05 . 1 . . . . 29 LEU MD1 . 17993 1 318 . 1 1 29 29 LEU HD21 H 1 0.85 0.05 . 1 . . . . 29 LEU MD2 . 17993 1 319 . 1 1 29 29 LEU HD22 H 1 0.85 0.05 . 1 . . . . 29 LEU MD2 . 17993 1 320 . 1 1 29 29 LEU HD23 H 1 0.85 0.05 . 1 . . . . 29 LEU MD2 . 17993 1 321 . 1 1 29 29 LEU C C 13 178.33 0.50 . 1 . . . . 29 LEU C . 17993 1 322 . 1 1 29 29 LEU CA C 13 58.78 0.50 . 1 . . . . 29 LEU CA . 17993 1 323 . 1 1 29 29 LEU CB C 13 42.64 0.50 . 1 . . . . 29 LEU CB . 17993 1 324 . 1 1 29 29 LEU CG C 13 26.12 0.50 . 1 . . . . 29 LEU CG . 17993 1 325 . 1 1 29 29 LEU CD1 C 13 24.29 0.50 . 1 . . . . 29 LEU CD1 . 17993 1 326 . 1 1 29 29 LEU CD2 C 13 25.40 0.50 . 1 . . . . 29 LEU CD2 . 17993 1 327 . 1 1 29 29 LEU N N 15 121.29 0.50 . 1 . . . . 29 LEU N . 17993 1 328 . 1 1 30 30 GLN H H 1 7.85 0.05 . 1 . . . . 30 GLN H . 17993 1 329 . 1 1 30 30 GLN HA H 1 4.04 0.05 . 1 . . . . 30 GLN HA . 17993 1 330 . 1 1 30 30 GLN HB2 H 1 2.00 0.05 . 1 . . . . 30 GLN HB2 . 17993 1 331 . 1 1 30 30 GLN HB3 H 1 2.14 0.05 . 1 . . . . 30 GLN HB3 . 17993 1 332 . 1 1 30 30 GLN HG2 H 1 2.35 0.05 . 1 . . . . 30 GLN HG2 . 17993 1 333 . 1 1 30 30 GLN HG3 H 1 2.63 0.05 . 1 . . . . 30 GLN HG3 . 17993 1 334 . 1 1 30 30 GLN C C 13 178.92 0.50 . 1 . . . . 30 GLN C . 17993 1 335 . 1 1 30 30 GLN CA C 13 58.87 0.50 . 1 . . . . 30 GLN CA . 17993 1 336 . 1 1 30 30 GLN CB C 13 27.85 0.50 . 1 . . . . 30 GLN CB . 17993 1 337 . 1 1 30 30 GLN CG C 13 33.94 0.50 . 1 . . . . 30 GLN CG . 17993 1 338 . 1 1 30 30 GLN N N 15 117.42 0.50 . 1 . . . . 30 GLN N . 17993 1 339 . 1 1 31 31 ALA H H 1 7.73 0.05 . 1 . . . . 31 ALA H . 17993 1 340 . 1 1 31 31 ALA HA H 1 3.91 0.05 . 1 . . . . 31 ALA HA . 17993 1 341 . 1 1 31 31 ALA HB1 H 1 1.14 0.05 . 1 . . . . 31 ALA MB . 17993 1 342 . 1 1 31 31 ALA HB2 H 1 1.14 0.05 . 1 . . . . 31 ALA MB . 17993 1 343 . 1 1 31 31 ALA HB3 H 1 1.14 0.05 . 1 . . . . 31 ALA MB . 17993 1 344 . 1 1 31 31 ALA C C 13 180.87 0.50 . 1 . . . . 31 ALA C . 17993 1 345 . 1 1 31 31 ALA CA C 13 55.02 0.50 . 1 . . . . 31 ALA CA . 17993 1 346 . 1 1 31 31 ALA CB C 13 17.59 0.50 . 1 . . . . 31 ALA CB . 17993 1 347 . 1 1 31 31 ALA N N 15 122.43 0.50 . 1 . . . . 31 ALA N . 17993 1 348 . 1 1 32 32 TRP H H 1 8.22 0.05 . 1 . . . . 32 TRP H . 17993 1 349 . 1 1 32 32 TRP HA H 1 4.18 0.05 . 1 . . . . 32 TRP HA . 17993 1 350 . 1 1 32 32 TRP HB2 H 1 3.29 0.05 . 2 . . . . 32 TRP HB2 . 17993 1 351 . 1 1 32 32 TRP C C 13 174.26 0.50 . 1 . . . . 32 TRP C . 17993 1 352 . 1 1 32 32 TRP CA C 13 59.09 0.50 . 1 . . . . 32 TRP CA . 17993 1 353 . 1 1 32 32 TRP CB C 13 28.03 0.50 . 1 . . . . 32 TRP CB . 17993 1 354 . 1 1 32 32 TRP N N 15 122.00 0.50 . 1 . . . . 32 TRP N . 17993 1 355 . 1 1 33 33 ASN H H 1 8.23 0.05 . 1 . . . . 33 ASN H . 17993 1 356 . 1 1 33 33 ASN HA H 1 4.67 0.05 . 1 . . . . 33 ASN HA . 17993 1 357 . 1 1 33 33 ASN HB2 H 1 2.72 0.05 . 1 . . . . 33 ASN HB2 . 17993 1 358 . 1 1 33 33 ASN HB3 H 1 2.75 0.05 . 1 . . . . 33 ASN HB3 . 17993 1 359 . 1 1 33 33 ASN C C 13 176.54 0.50 . 1 . . . . 33 ASN C . 17993 1 360 . 1 1 33 33 ASN CA C 13 54.61 0.50 . 1 . . . . 33 ASN CA . 17993 1 361 . 1 1 33 33 ASN CB C 13 40.82 0.50 . 1 . . . . 33 ASN CB . 17993 1 362 . 1 1 33 33 ASN N N 15 122.23 0.50 . 1 . . . . 33 ASN N . 17993 1 363 . 1 1 34 34 CYS H H 1 7.94 0.05 . 1 . . . . 34 CYS H . 17993 1 364 . 1 1 34 34 CYS HA H 1 4.40 0.05 . 1 . . . . 34 CYS HA . 17993 1 365 . 1 1 34 34 CYS HB2 H 1 3.49 0.05 . 2 . . . . 34 CYS HB2 . 17993 1 366 . 1 1 34 34 CYS C C 13 178.93 0.50 . 1 . . . . 34 CYS C . 17993 1 367 . 1 1 34 34 CYS CA C 13 58.05 0.50 . 1 . . . . 34 CYS CA . 17993 1 368 . 1 1 34 34 CYS CB C 13 28.54 0.50 . 1 . . . . 34 CYS CB . 17993 1 369 . 1 1 34 34 CYS N N 15 120.44 0.50 . 1 . . . . 34 CYS N . 17993 1 370 . 1 1 35 35 ILE H H 1 7.97 0.05 . 1 . . . . 35 ILE H . 17993 1 371 . 1 1 35 35 ILE HA H 1 4.20 0.05 . 1 . . . . 35 ILE HA . 17993 1 372 . 1 1 35 35 ILE HB H 1 1.93 0.05 . 1 . . . . 35 ILE HB . 17993 1 373 . 1 1 35 35 ILE HG12 H 1 1.19 0.05 . 1 . . . . 35 ILE HG12 . 17993 1 374 . 1 1 35 35 ILE HG13 H 1 1.44 0.05 . 1 . . . . 35 ILE HG13 . 17993 1 375 . 1 1 35 35 ILE HG21 H 1 0.93 0.05 . 1 . . . . 35 ILE MG . 17993 1 376 . 1 1 35 35 ILE HG22 H 1 0.93 0.05 . 1 . . . . 35 ILE MG . 17993 1 377 . 1 1 35 35 ILE HG23 H 1 0.93 0.05 . 1 . . . . 35 ILE MG . 17993 1 378 . 1 1 35 35 ILE HD11 H 1 0.86 0.05 . 1 . . . . 35 ILE MD . 17993 1 379 . 1 1 35 35 ILE HD12 H 1 0.86 0.05 . 1 . . . . 35 ILE MD . 17993 1 380 . 1 1 35 35 ILE HD13 H 1 0.86 0.05 . 1 . . . . 35 ILE MD . 17993 1 381 . 1 1 35 35 ILE C C 13 175.62 0.50 . 1 . . . . 35 ILE C . 17993 1 382 . 1 1 35 35 ILE CA C 13 58.36 0.50 . 1 . . . . 35 ILE CA . 17993 1 383 . 1 1 35 35 ILE CB C 13 42.44 0.50 . 1 . . . . 35 ILE CB . 17993 1 384 . 1 1 35 35 ILE CG1 C 13 26.65 0.50 . 1 . . . . 35 ILE CG1 . 17993 1 385 . 1 1 35 35 ILE CG2 C 13 17.71 0.50 . 1 . . . . 35 ILE CG2 . 17993 1 386 . 1 1 35 35 ILE CD1 C 13 13.53 0.50 . 1 . . . . 35 ILE CD1 . 17993 1 387 . 1 1 35 35 ILE N N 15 118.58 0.50 . 1 . . . . 35 ILE N . 17993 1 388 . 1 1 36 36 CYS H H 1 7.85 0.05 . 1 . . . . 36 CYS H . 17993 1 389 . 1 1 36 36 CYS HA H 1 4.46 0.05 . 1 . . . . 36 CYS HA . 17993 1 390 . 1 1 36 36 CYS HB2 H 1 3.42 0.05 . 2 . . . . 36 CYS HB2 . 17993 1 391 . 1 1 36 36 CYS C C 13 174.47 0.50 . 1 . . . . 36 CYS C . 17993 1 392 . 1 1 36 36 CYS CA C 13 58.92 0.50 . 1 . . . . 36 CYS CA . 17993 1 393 . 1 1 36 36 CYS CB C 13 28.21 0.50 . 1 . . . . 36 CYS CB . 17993 1 394 . 1 1 36 36 CYS N N 15 117.59 0.50 . 1 . . . . 36 CYS N . 17993 1 395 . 1 1 37 37 ASP H H 1 8.19 0.05 . 1 . . . . 37 ASP H . 17993 1 396 . 1 1 37 37 ASP HA H 1 4.53 0.05 . 1 . . . . 37 ASP HA . 17993 1 397 . 1 1 37 37 ASP HB2 H 1 2.68 0.05 . 2 . . . . 37 ASP HB2 . 17993 1 398 . 1 1 37 37 ASP C C 13 176.54 0.50 . 1 . . . . 37 ASP C . 17993 1 399 . 1 1 37 37 ASP CA C 13 55.29 0.50 . 1 . . . . 37 ASP CA . 17993 1 400 . 1 1 37 37 ASP CB C 13 40.44 0.50 . 1 . . . . 37 ASP CB . 17993 1 401 . 1 1 37 37 ASP N N 15 122.56 0.50 . 1 . . . . 37 ASP N . 17993 1 402 . 1 1 38 38 ILE H H 1 7.93 0.05 . 1 . . . . 38 ILE H . 17993 1 403 . 1 1 38 38 ILE HA H 1 4.10 0.05 . 1 . . . . 38 ILE HA . 17993 1 404 . 1 1 38 38 ILE HB H 1 1.66 0.05 . 1 . . . . 38 ILE HB . 17993 1 405 . 1 1 38 38 ILE HG12 H 1 1.32 0.05 . 1 . . . . 38 ILE HG12 . 17993 1 406 . 1 1 38 38 ILE HG13 H 1 1.37 0.05 . 1 . . . . 38 ILE HG13 . 17993 1 407 . 1 1 38 38 ILE HG21 H 1 0.90 0.05 . 1 . . . . 38 ILE MG . 17993 1 408 . 1 1 38 38 ILE HG22 H 1 0.90 0.05 . 1 . . . . 38 ILE MG . 17993 1 409 . 1 1 38 38 ILE HG23 H 1 0.90 0.05 . 1 . . . . 38 ILE MG . 17993 1 410 . 1 1 38 38 ILE HD11 H 1 0.85 0.05 . 1 . . . . 38 ILE MD . 17993 1 411 . 1 1 38 38 ILE HD12 H 1 0.85 0.05 . 1 . . . . 38 ILE MD . 17993 1 412 . 1 1 38 38 ILE HD13 H 1 0.85 0.05 . 1 . . . . 38 ILE MD . 17993 1 413 . 1 1 38 38 ILE C C 13 176.76 0.50 . 1 . . . . 38 ILE C . 17993 1 414 . 1 1 38 38 ILE CA C 13 62.09 0.50 . 1 . . . . 38 ILE CA . 17993 1 415 . 1 1 38 38 ILE CB C 13 38.71 0.50 . 1 . . . . 38 ILE CB . 17993 1 416 . 1 1 38 38 ILE CG1 C 13 27.00 0.50 . 1 . . . . 38 ILE CG1 . 17993 1 417 . 1 1 38 38 ILE CG2 C 13 17.47 0.50 . 1 . . . . 38 ILE CG2 . 17993 1 418 . 1 1 38 38 ILE CD1 C 13 10.92 0.50 . 1 . . . . 38 ILE CD1 . 17993 1 419 . 1 1 38 38 ILE N N 15 120.93 0.50 . 1 . . . . 38 ILE N . 17993 1 420 . 1 1 39 39 GLU H H 1 8.43 0.05 . 1 . . . . 39 GLU H . 17993 1 421 . 1 1 39 39 GLU HA H 1 4.38 0.05 . 1 . . . . 39 GLU HA . 17993 1 422 . 1 1 39 39 GLU HB2 H 1 2.29 0.05 . 2 . . . . 39 GLU HB2 . 17993 1 423 . 1 1 39 39 GLU HG2 H 1 2.42 0.05 . 2 . . . . 39 GLU HG2 . 17993 1 424 . 1 1 39 39 GLU C C 13 176.66 0.50 . 1 . . . . 39 GLU C . 17993 1 425 . 1 1 39 39 GLU CA C 13 57.40 0.50 . 1 . . . . 39 GLU CA . 17993 1 426 . 1 1 39 39 GLU CB C 13 29.93 0.50 . 1 . . . . 39 GLU CB . 17993 1 427 . 1 1 39 39 GLU CG C 13 36.54 0.50 . 1 . . . . 39 GLU CG . 17993 1 428 . 1 1 39 39 GLU N N 15 122.54 0.50 . 1 . . . . 39 GLU N . 17993 1 429 . 1 1 40 40 ASN H H 1 8.27 0.05 . 1 . . . . 40 ASN H . 17993 1 430 . 1 1 40 40 ASN HA H 1 4.67 0.05 . 1 . . . . 40 ASN HA . 17993 1 431 . 1 1 40 40 ASN HB2 H 1 2.81 0.05 . 2 . . . . 40 ASN HB2 . 17993 1 432 . 1 1 40 40 ASN C C 13 175.32 0.50 . 1 . . . . 40 ASN C . 17993 1 433 . 1 1 40 40 ASN CA C 13 53.48 0.50 . 1 . . . . 40 ASN CA . 17993 1 434 . 1 1 40 40 ASN CB C 13 38.85 0.50 . 1 . . . . 40 ASN CB . 17993 1 435 . 1 1 40 40 ASN N N 15 118.01 0.50 . 1 . . . . 40 ASN N . 17993 1 436 . 1 1 41 41 CYS H H 1 8.25 0.05 . 1 . . . . 41 CYS H . 17993 1 437 . 1 1 41 41 CYS HA H 1 4.42 0.05 . 1 . . . . 41 CYS HA . 17993 1 438 . 1 1 41 41 CYS HB2 H 1 3.20 0.05 . 1 . . . . 41 CYS HB2 . 17993 1 439 . 1 1 41 41 CYS HB3 H 1 3.53 0.05 . 1 . . . . 41 CYS HB3 . 17993 1 440 . 1 1 41 41 CYS C C 13 174.94 0.50 . 1 . . . . 41 CYS C . 17993 1 441 . 1 1 41 41 CYS CA C 13 58.98 0.50 . 1 . . . . 41 CYS CA . 17993 1 442 . 1 1 41 41 CYS CB C 13 27.87 0.50 . 1 . . . . 41 CYS CB . 17993 1 443 . 1 1 41 41 CYS N N 15 118.91 0.50 . 1 . . . . 41 CYS N . 17993 1 444 . 1 1 42 42 SER H H 1 8.44 0.05 . 1 . . . . 42 SER H . 17993 1 445 . 1 1 42 42 SER HA H 1 4.36 0.05 . 1 . . . . 42 SER HA . 17993 1 446 . 1 1 42 42 SER HB2 H 1 3.83 0.05 . 1 . . . . 42 SER HB2 . 17993 1 447 . 1 1 42 42 SER HB3 H 1 3.91 0.05 . 1 . . . . 42 SER HB3 . 17993 1 448 . 1 1 42 42 SER C C 13 174.45 0.50 . 1 . . . . 42 SER C . 17993 1 449 . 1 1 42 42 SER CA C 13 59.03 0.50 . 1 . . . . 42 SER CA . 17993 1 450 . 1 1 42 42 SER CB C 13 63.62 0.50 . 1 . . . . 42 SER CB . 17993 1 451 . 1 1 42 42 SER N N 15 117.58 0.50 . 1 . . . . 42 SER N . 17993 1 452 . 1 1 43 43 ASN H H 1 8.34 0.05 . 1 . . . . 43 ASN H . 17993 1 453 . 1 1 43 43 ASN HA H 1 4.68 0.05 . 1 . . . . 43 ASN HA . 17993 1 454 . 1 1 43 43 ASN HB2 H 1 2.75 0.05 . 1 . . . . 43 ASN HB2 . 17993 1 455 . 1 1 43 43 ASN HB3 H 1 2.84 0.05 . 1 . . . . 43 ASN HB3 . 17993 1 456 . 1 1 43 43 ASN C C 13 174.92 0.50 . 1 . . . . 43 ASN C . 17993 1 457 . 1 1 43 43 ASN CA C 13 59.56 0.50 . 1 . . . . 43 ASN CA . 17993 1 458 . 1 1 43 43 ASN CB C 13 38.78 0.50 . 1 . . . . 43 ASN CB . 17993 1 459 . 1 1 43 43 ASN N N 15 119.80 0.50 . 1 . . . . 43 ASN N . 17993 1 460 . 1 1 44 44 MET H H 1 8.13 0.05 . 1 . . . . 44 MET H . 17993 1 461 . 1 1 44 44 MET HA H 1 4.52 0.05 . 1 . . . . 44 MET HA . 17993 1 462 . 1 1 44 44 MET HB2 H 1 2.08 0.05 . 2 . . . . 44 MET HB2 . 17993 1 463 . 1 1 44 44 MET HG2 H 1 2.67 0.05 . 2 . . . . 44 MET HG2 . 17993 1 464 . 1 1 44 44 MET HE1 H 1 2.07 0.05 . 1 . . . . 44 MET ME . 17993 1 465 . 1 1 44 44 MET HE2 H 1 2.07 0.05 . 1 . . . . 44 MET ME . 17993 1 466 . 1 1 44 44 MET HE3 H 1 2.07 0.05 . 1 . . . . 44 MET ME . 17993 1 467 . 1 1 44 44 MET C C 13 175.50 0.50 . 1 . . . . 44 MET C . 17993 1 468 . 1 1 44 44 MET CA C 13 55.22 0.50 . 1 . . . . 44 MET CA . 17993 1 469 . 1 1 44 44 MET CB C 13 33.21 0.50 . 1 . . . . 44 MET CB . 17993 1 470 . 1 1 44 44 MET CE C 13 16.96 0.50 . 1 . . . . 44 MET CE . 17993 1 471 . 1 1 44 44 MET N N 15 119.41 0.50 . 1 . . . . 44 MET N . 17993 1 472 . 1 1 45 45 ALA H H 1 8.16 0.05 . 1 . . . . 45 ALA H . 17993 1 473 . 1 1 45 45 ALA HA H 1 4.49 0.05 . 1 . . . . 45 ALA HA . 17993 1 474 . 1 1 45 45 ALA HB1 H 1 1.36 0.05 . 1 . . . . 45 ALA MB . 17993 1 475 . 1 1 45 45 ALA HB2 H 1 1.36 0.05 . 1 . . . . 45 ALA MB . 17993 1 476 . 1 1 45 45 ALA HB3 H 1 1.36 0.05 . 1 . . . . 45 ALA MB . 17993 1 477 . 1 1 45 45 ALA C C 13 181.79 0.50 . 1 . . . . 45 ALA C . 17993 1 478 . 1 1 45 45 ALA CA C 13 51.24 0.50 . 1 . . . . 45 ALA CA . 17993 1 479 . 1 1 45 45 ALA CB C 13 18.10 0.50 . 1 . . . . 45 ALA CB . 17993 1 480 . 1 1 45 45 ALA N N 15 125.63 0.50 . 1 . . . . 45 ALA N . 17993 1 481 . 1 1 46 46 PRO HA H 1 4.33 0.05 . 1 . . . . 46 PRO HA . 17993 1 482 . 1 1 46 46 PRO HB2 H 1 2.11 0.05 . 1 . . . . 46 PRO HB2 . 17993 1 483 . 1 1 46 46 PRO HB3 H 1 2.34 0.05 . 1 . . . . 46 PRO HB3 . 17993 1 484 . 1 1 46 46 PRO HG2 H 1 2.18 0.05 . 2 . . . . 46 PRO HG2 . 17993 1 485 . 1 1 46 46 PRO HD2 H 1 3.55 0.05 . 2 . . . . 46 PRO HD2 . 17993 1 486 . 1 1 46 46 PRO C C 13 177.05 0.50 . 1 . . . . 46 PRO C . 17993 1 487 . 1 1 46 46 PRO CA C 13 63.36 0.50 . 1 . . . . 46 PRO CA . 17993 1 488 . 1 1 46 46 PRO CB C 13 31.92 0.50 . 1 . . . . 46 PRO CB . 17993 1 489 . 1 1 46 46 PRO CG C 13 27.72 0.50 . 1 . . . . 46 PRO CG . 17993 1 490 . 1 1 46 46 PRO CD C 13 50.53 0.50 . 1 . . . . 46 PRO CD . 17993 1 491 . 1 1 47 47 LEU H H 1 8.22 0.05 . 1 . . . . 47 LEU H . 17993 1 492 . 1 1 47 47 LEU HA H 1 4.27 0.05 . 1 . . . . 47 LEU HA . 17993 1 493 . 1 1 47 47 LEU HB2 H 1 1.70 0.05 . 1 . . . . 47 LEU HB2 . 17993 1 494 . 1 1 47 47 LEU HB3 H 1 1.83 0.05 . 1 . . . . 47 LEU HB3 . 17993 1 495 . 1 1 47 47 LEU HG H 1 1.67 0.05 . 1 . . . . 47 LEU HG . 17993 1 496 . 1 1 47 47 LEU HD11 H 1 1.14 0.05 . 2 . . . . 47 LEU MD1 . 17993 1 497 . 1 1 47 47 LEU HD12 H 1 1.14 0.05 . 2 . . . . 47 LEU MD1 . 17993 1 498 . 1 1 47 47 LEU HD13 H 1 1.14 0.05 . 2 . . . . 47 LEU MD1 . 17993 1 499 . 1 1 47 47 LEU C C 13 177.20 0.50 . 1 . . . . 47 LEU C . 17993 1 500 . 1 1 47 47 LEU CA C 13 55.86 0.50 . 1 . . . . 47 LEU CA . 17993 1 501 . 1 1 47 47 LEU CB C 13 42.17 0.50 . 1 . . . . 47 LEU CB . 17993 1 502 . 1 1 47 47 LEU CG C 13 25.89 0.50 . 1 . . . . 47 LEU CG . 17993 1 503 . 1 1 47 47 LEU CD1 C 13 23.90 0.50 . 2 . . . . 47 LEU CD1 . 17993 1 504 . 1 1 47 47 LEU N N 15 121.16 0.50 . 1 . . . . 47 LEU N . 17993 1 505 . 1 1 48 48 TYR H H 1 7.95 0.05 . 1 . . . . 48 TYR H . 17993 1 506 . 1 1 48 48 TYR HA H 1 4.16 0.05 . 1 . . . . 48 TYR HA . 17993 1 507 . 1 1 48 48 TYR HB2 H 1 3.08 0.05 . 1 . . . . 48 TYR HB2 . 17993 1 508 . 1 1 48 48 TYR HB3 H 1 3.30 0.05 . 1 . . . . 48 TYR HB3 . 17993 1 509 . 1 1 48 48 TYR C C 13 175.71 0.50 . 1 . . . . 48 TYR C . 17993 1 510 . 1 1 48 48 TYR CA C 13 57.46 0.50 . 1 . . . . 48 TYR CA . 17993 1 511 . 1 1 48 48 TYR CB C 13 38.96 0.50 . 1 . . . . 48 TYR CB . 17993 1 512 . 1 1 48 48 TYR N N 15 118.37 0.50 . 1 . . . . 48 TYR N . 17993 1 513 . 1 1 49 49 SER H H 1 8.12 0.05 . 1 . . . . 49 SER H . 17993 1 514 . 1 1 49 49 SER HA H 1 4.37 0.05 . 1 . . . . 49 SER HA . 17993 1 515 . 1 1 49 49 SER HB2 H 1 3.76 0.05 . 1 . . . . 49 SER HB2 . 17993 1 516 . 1 1 49 49 SER HB3 H 1 3.83 0.05 . 1 . . . . 49 SER HB3 . 17993 1 517 . 1 1 49 49 SER C C 13 174.45 0.50 . 1 . . . . 49 SER C . 17993 1 518 . 1 1 49 49 SER CA C 13 58.37 0.50 . 1 . . . . 49 SER CA . 17993 1 519 . 1 1 49 49 SER CB C 13 63.98 0.50 . 1 . . . . 49 SER CB . 17993 1 520 . 1 1 49 49 SER N N 15 116.13 0.50 . 1 . . . . 49 SER N . 17993 1 521 . 1 1 50 50 ASP H H 1 8.21 0.05 . 1 . . . . 50 ASP H . 17993 1 522 . 1 1 50 50 ASP HA H 1 4.49 0.05 . 1 . . . . 50 ASP HA . 17993 1 523 . 1 1 50 50 ASP HB2 H 1 2.75 0.05 . 1 . . . . 50 ASP HB2 . 17993 1 524 . 1 1 50 50 ASP HB3 H 1 2.81 0.05 . 1 . . . . 50 ASP HB3 . 17993 1 525 . 1 1 50 50 ASP C C 13 177.39 0.50 . 1 . . . . 50 ASP C . 17993 1 526 . 1 1 50 50 ASP CA C 13 55.13 0.50 . 1 . . . . 50 ASP CA . 17993 1 527 . 1 1 50 50 ASP CB C 13 40.12 0.50 . 1 . . . . 50 ASP CB . 17993 1 528 . 1 1 50 50 ASP N N 15 122.73 0.50 . 1 . . . . 50 ASP N . 17993 1 529 . 1 1 51 51 GLN H H 1 8.08 0.05 . 1 . . . . 51 GLN H . 17993 1 530 . 1 1 51 51 GLN HA H 1 4.38 0.05 . 1 . . . . 51 GLN HA . 17993 1 531 . 1 1 51 51 GLN HB2 H 1 1.98 0.05 . 2 . . . . 51 GLN HB2 . 17993 1 532 . 1 1 51 51 GLN HG2 H 1 2.40 0.05 . 2 . . . . 51 GLN HG2 . 17993 1 533 . 1 1 51 51 GLN C C 13 176.34 0.50 . 1 . . . . 51 GLN C . 17993 1 534 . 1 1 51 51 GLN CA C 13 58.99 0.50 . 1 . . . . 51 GLN CA . 17993 1 535 . 1 1 51 51 GLN CB C 13 27.26 0.50 . 1 . . . . 51 GLN CB . 17993 1 536 . 1 1 51 51 GLN CG C 13 34.20 0.50 . 1 . . . . 51 GLN CG . 17993 1 537 . 1 1 51 51 GLN N N 15 119.54 0.50 . 1 . . . . 51 GLN N . 17993 1 538 . 1 1 52 52 ALA H H 1 8.79 0.05 . 1 . . . . 52 ALA H . 17993 1 539 . 1 1 52 52 ALA HA H 1 4.20 0.05 . 1 . . . . 52 ALA HA . 17993 1 540 . 1 1 52 52 ALA HB1 H 1 1.48 0.05 . 1 . . . . 52 ALA MB . 17993 1 541 . 1 1 52 52 ALA HB2 H 1 1.48 0.05 . 1 . . . . 52 ALA MB . 17993 1 542 . 1 1 52 52 ALA HB3 H 1 1.48 0.05 . 1 . . . . 52 ALA MB . 17993 1 543 . 1 1 52 52 ALA C C 13 179.83 0.50 . 1 . . . . 52 ALA C . 17993 1 544 . 1 1 52 52 ALA CA C 13 54.58 0.50 . 1 . . . . 52 ALA CA . 17993 1 545 . 1 1 52 52 ALA CB C 13 18.58 0.50 . 1 . . . . 52 ALA CB . 17993 1 546 . 1 1 52 52 ALA N N 15 125.21 0.50 . 1 . . . . 52 ALA N . 17993 1 547 . 1 1 53 53 LEU H H 1 8.48 0.05 . 1 . . . . 53 LEU H . 17993 1 548 . 1 1 53 53 LEU HA H 1 3.87 0.05 . 1 . . . . 53 LEU HA . 17993 1 549 . 1 1 53 53 LEU HB2 H 1 1.79 0.05 . 1 . . . . 53 LEU HB2 . 17993 1 550 . 1 1 53 53 LEU HB3 H 1 1.95 0.05 . 1 . . . . 53 LEU HB3 . 17993 1 551 . 1 1 53 53 LEU HG H 1 1.66 0.05 . 1 . . . . 53 LEU HG . 17993 1 552 . 1 1 53 53 LEU HD11 H 1 0.87 0.05 . 1 . . . . 53 LEU MD1 . 17993 1 553 . 1 1 53 53 LEU HD12 H 1 0.87 0.05 . 1 . . . . 53 LEU MD1 . 17993 1 554 . 1 1 53 53 LEU HD13 H 1 0.87 0.05 . 1 . . . . 53 LEU MD1 . 17993 1 555 . 1 1 53 53 LEU HD21 H 1 0.91 0.05 . 1 . . . . 53 LEU MD2 . 17993 1 556 . 1 1 53 53 LEU HD22 H 1 0.91 0.05 . 1 . . . . 53 LEU MD2 . 17993 1 557 . 1 1 53 53 LEU HD23 H 1 0.91 0.05 . 1 . . . . 53 LEU MD2 . 17993 1 558 . 1 1 53 53 LEU C C 13 178.73 0.50 . 1 . . . . 53 LEU C . 17993 1 559 . 1 1 53 53 LEU CA C 13 57.82 0.50 . 1 . . . . 53 LEU CA . 17993 1 560 . 1 1 53 53 LEU CB C 13 42.33 0.50 . 1 . . . . 53 LEU CB . 17993 1 561 . 1 1 53 53 LEU CG C 13 26.00 0.50 . 1 . . . . 53 LEU CG . 17993 1 562 . 1 1 53 53 LEU CD1 C 13 25.54 0.50 . 1 . . . . 53 LEU CD1 . 17993 1 563 . 1 1 53 53 LEU CD2 C 13 24.78 0.50 . 1 . . . . 53 LEU CD2 . 17993 1 564 . 1 1 53 53 LEU N N 15 120.31 0.50 . 1 . . . . 53 LEU N . 17993 1 565 . 1 1 54 54 LYS H H 1 8.12 0.05 . 1 . . . . 54 LYS H . 17993 1 566 . 1 1 54 54 LYS HA H 1 4.12 0.05 . 1 . . . . 54 LYS HA . 17993 1 567 . 1 1 54 54 LYS HB2 H 1 1.84 0.05 . 2 . . . . 54 LYS HB2 . 17993 1 568 . 1 1 54 54 LYS HG2 H 1 1.57 0.05 . 1 . . . . 54 LYS HG2 . 17993 1 569 . 1 1 54 54 LYS HG3 H 1 1.68 0.05 . 1 . . . . 54 LYS HG3 . 17993 1 570 . 1 1 54 54 LYS HD2 H 1 1.64 0.05 . 2 . . . . 54 LYS HD2 . 17993 1 571 . 1 1 54 54 LYS HE2 H 1 2.94 0.05 . 2 . . . . 54 LYS HE2 . 17993 1 572 . 1 1 54 54 LYS C C 13 179.24 0.50 . 1 . . . . 54 LYS C . 17993 1 573 . 1 1 54 54 LYS CA C 13 60.36 0.50 . 1 . . . . 54 LYS CA . 17993 1 574 . 1 1 54 54 LYS CB C 13 32.09 0.50 . 1 . . . . 54 LYS CB . 17993 1 575 . 1 1 54 54 LYS CG C 13 27.01 0.50 . 1 . . . . 54 LYS CG . 17993 1 576 . 1 1 54 54 LYS CD C 13 29.18 0.50 . 1 . . . . 54 LYS CD . 17993 1 577 . 1 1 54 54 LYS CE C 13 40.26 0.50 . 1 . . . . 54 LYS CE . 17993 1 578 . 1 1 54 54 LYS N N 15 118.32 0.50 . 1 . . . . 54 LYS N . 17993 1 579 . 1 1 55 55 LYS H H 1 7.95 0.05 . 1 . . . . 55 LYS H . 17993 1 580 . 1 1 55 55 LYS HA H 1 4.11 0.05 . 1 . . . . 55 LYS HA . 17993 1 581 . 1 1 55 55 LYS HB2 H 1 1.89 0.05 . 2 . . . . 55 LYS HB2 . 17993 1 582 . 1 1 55 55 LYS HG2 H 1 1.46 0.05 . 2 . . . . 55 LYS HG2 . 17993 1 583 . 1 1 55 55 LYS HD2 H 1 1.52 0.05 . 2 . . . . 55 LYS HD2 . 17993 1 584 . 1 1 55 55 LYS HE2 H 1 2.95 0.05 . 2 . . . . 55 LYS HE2 . 17993 1 585 . 1 1 55 55 LYS C C 13 179.64 0.50 . 1 . . . . 55 LYS C . 17993 1 586 . 1 1 55 55 LYS CA C 13 59.45 0.50 . 1 . . . . 55 LYS CA . 17993 1 587 . 1 1 55 55 LYS CB C 13 32.31 0.50 . 1 . . . . 55 LYS CB . 17993 1 588 . 1 1 55 55 LYS CG C 13 28.24 0.50 . 1 . . . . 55 LYS CG . 17993 1 589 . 1 1 55 55 LYS CD C 13 25.52 0.50 . 1 . . . . 55 LYS CD . 17993 1 590 . 1 1 55 55 LYS CE C 13 41.51 0.50 . 1 . . . . 55 LYS CE . 17993 1 591 . 1 1 55 55 LYS N N 15 120.84 0.50 . 1 . . . . 55 LYS N . 17993 1 592 . 1 1 56 56 LYS H H 1 7.80 0.05 . 1 . . . . 56 LYS H . 17993 1 593 . 1 1 56 56 LYS HA H 1 4.08 0.05 . 1 . . . . 56 LYS HA . 17993 1 594 . 1 1 56 56 LYS HB2 H 1 1.93 0.05 . 2 . . . . 56 LYS HB2 . 17993 1 595 . 1 1 56 56 LYS HG2 H 1 1.66 0.05 . 2 . . . . 56 LYS HG2 . 17993 1 596 . 1 1 56 56 LYS HD2 H 1 1.47 0.05 . 1 . . . . 56 LYS HD2 . 17993 1 597 . 1 1 56 56 LYS HD3 H 1 1.60 0.05 . 1 . . . . 56 LYS HD3 . 17993 1 598 . 1 1 56 56 LYS HE2 H 1 2.96 0.05 . 2 . . . . 56 LYS HE2 . 17993 1 599 . 1 1 56 56 LYS C C 13 178.73 0.50 . 1 . . . . 56 LYS C . 17993 1 600 . 1 1 56 56 LYS CA C 13 59.41 0.50 . 1 . . . . 56 LYS CA . 17993 1 601 . 1 1 56 56 LYS CB C 13 32.36 0.50 . 1 . . . . 56 LYS CB . 17993 1 602 . 1 1 56 56 LYS CG C 13 25.51 0.50 . 1 . . . . 56 LYS CG . 17993 1 603 . 1 1 56 56 LYS CD C 13 25.71 0.50 . 1 . . . . 56 LYS CD . 17993 1 604 . 1 1 56 56 LYS CE C 13 42.59 0.50 . 1 . . . . 56 LYS CE . 17993 1 605 . 1 1 56 56 LYS N N 15 121.24 0.50 . 1 . . . . 56 LYS N . 17993 1 606 . 1 1 57 57 LEU H H 1 8.47 0.05 . 1 . . . . 57 LEU H . 17993 1 607 . 1 1 57 57 LEU HA H 1 3.91 0.05 . 1 . . . . 57 LEU HA . 17993 1 608 . 1 1 57 57 LEU HB2 H 1 1.60 0.05 . 1 . . . . 57 LEU HB2 . 17993 1 609 . 1 1 57 57 LEU HB3 H 1 1.77 0.05 . 1 . . . . 57 LEU HB3 . 17993 1 610 . 1 1 57 57 LEU HG H 1 1.55 0.05 . 1 . . . . 57 LEU HG . 17993 1 611 . 1 1 57 57 LEU HD11 H 1 0.90 0.05 . 2 . . . . 57 LEU MD1 . 17993 1 612 . 1 1 57 57 LEU HD12 H 1 0.90 0.05 . 2 . . . . 57 LEU MD1 . 17993 1 613 . 1 1 57 57 LEU HD13 H 1 0.90 0.05 . 2 . . . . 57 LEU MD1 . 17993 1 614 . 1 1 57 57 LEU C C 13 178.07 0.50 . 1 . . . . 57 LEU C . 17993 1 615 . 1 1 57 57 LEU CA C 13 58.63 0.50 . 1 . . . . 57 LEU CA . 17993 1 616 . 1 1 57 57 LEU CB C 13 42.28 0.50 . 1 . . . . 57 LEU CB . 17993 1 617 . 1 1 57 57 LEU CG C 13 27.19 0.50 . 1 . . . . 57 LEU CG . 17993 1 618 . 1 1 57 57 LEU CD1 C 13 25.40 0.50 . 2 . . . . 57 LEU CD1 . 17993 1 619 . 1 1 57 57 LEU N N 15 120.22 0.50 . 1 . . . . 57 LEU N . 17993 1 620 . 1 1 58 58 ALA H H 1 7.71 0.05 . 1 . . . . 58 ALA H . 17993 1 621 . 1 1 58 58 ALA HA H 1 4.13 0.05 . 1 . . . . 58 ALA HA . 17993 1 622 . 1 1 58 58 ALA HB1 H 1 1.47 0.05 . 1 . . . . 58 ALA MB . 17993 1 623 . 1 1 58 58 ALA HB2 H 1 1.47 0.05 . 1 . . . . 58 ALA MB . 17993 1 624 . 1 1 58 58 ALA HB3 H 1 1.47 0.05 . 1 . . . . 58 ALA MB . 17993 1 625 . 1 1 58 58 ALA C C 13 180.93 0.50 . 1 . . . . 58 ALA C . 17993 1 626 . 1 1 58 58 ALA CA C 13 55.36 0.50 . 1 . . . . 58 ALA CA . 17993 1 627 . 1 1 58 58 ALA CB C 13 18.02 0.50 . 1 . . . . 58 ALA CB . 17993 1 628 . 1 1 58 58 ALA N N 15 119.64 0.50 . 1 . . . . 58 ALA N . 17993 1 629 . 1 1 59 59 GLN H H 1 7.95 0.05 . 1 . . . . 59 GLN H . 17993 1 630 . 1 1 59 59 GLN HA H 1 4.08 0.05 . 1 . . . . 59 GLN HA . 17993 1 631 . 1 1 59 59 GLN HB2 H 1 2.02 0.05 . 1 . . . . 59 GLN HB2 . 17993 1 632 . 1 1 59 59 GLN HB3 H 1 2.21 0.05 . 1 . . . . 59 GLN HB3 . 17993 1 633 . 1 1 59 59 GLN HG2 H 1 2.33 0.05 . 2 . . . . 59 GLN HG2 . 17993 1 634 . 1 1 59 59 GLN C C 13 179.24 0.50 . 1 . . . . 59 GLN C . 17993 1 635 . 1 1 59 59 GLN CA C 13 59.00 0.50 . 1 . . . . 59 GLN CA . 17993 1 636 . 1 1 59 59 GLN CB C 13 28.50 0.50 . 1 . . . . 59 GLN CB . 17993 1 637 . 1 1 59 59 GLN CG C 13 34.07 0.50 . 1 . . . . 59 GLN CG . 17993 1 638 . 1 1 59 59 GLN N N 15 118.19 0.05 . 1 . . . . 59 GLN N . 17993 1 639 . 1 1 60 60 LEU H H 1 8.50 0.05 . 1 . . . . 60 LEU H . 17993 1 640 . 1 1 60 60 LEU HA H 1 4.20 0.05 . 1 . . . . 60 LEU HA . 17993 1 641 . 1 1 60 60 LEU HB2 H 1 1.49 0.05 . 2 . . . . 60 LEU HB2 . 17993 1 642 . 1 1 60 60 LEU HG H 1 1.41 0.05 . 1 . . . . 60 LEU HG . 17993 1 643 . 1 1 60 60 LEU HD11 H 1 0.86 0.05 . 1 . . . . 60 LEU MD1 . 17993 1 644 . 1 1 60 60 LEU HD12 H 1 0.86 0.05 . 1 . . . . 60 LEU MD1 . 17993 1 645 . 1 1 60 60 LEU HD13 H 1 0.86 0.05 . 1 . . . . 60 LEU MD1 . 17993 1 646 . 1 1 60 60 LEU HD21 H 1 0.83 0.05 . 1 . . . . 60 LEU MD2 . 17993 1 647 . 1 1 60 60 LEU HD22 H 1 0.83 0.05 . 1 . . . . 60 LEU MD2 . 17993 1 648 . 1 1 60 60 LEU HD23 H 1 0.83 0.05 . 1 . . . . 60 LEU MD2 . 17993 1 649 . 1 1 60 60 LEU C C 13 179.24 0.50 . 1 . . . . 60 LEU C . 17993 1 650 . 1 1 60 60 LEU CA C 13 58.13 0.50 . 1 . . . . 60 LEU CA . 17993 1 651 . 1 1 60 60 LEU CB C 13 42.58 0.50 . 1 . . . . 60 LEU CB . 17993 1 652 . 1 1 60 60 LEU CG C 13 29.15 0.50 . 1 . . . . 60 LEU CG . 17993 1 653 . 1 1 60 60 LEU CD1 C 13 26.37 0.50 . 1 . . . . 60 LEU CD1 . 17993 1 654 . 1 1 60 60 LEU CD2 C 13 24.46 0.50 . 1 . . . . 60 LEU CD2 . 17993 1 655 . 1 1 60 60 LEU N N 15 121.24 0.50 . 1 . . . . 60 LEU N . 17993 1 656 . 1 1 61 61 LYS H H 1 8.51 0.05 . 1 . . . . 61 LYS H . 17993 1 657 . 1 1 61 61 LYS HA H 1 4.17 0.05 . 1 . . . . 61 LYS HA . 17993 1 658 . 1 1 61 61 LYS HB2 H 1 1.90 0.05 . 2 . . . . 61 LYS HB2 . 17993 1 659 . 1 1 61 61 LYS HG2 H 1 1.48 0.05 . 1 . . . . 61 LYS HG2 . 17993 1 660 . 1 1 61 61 LYS HG3 H 1 1.59 0.05 . 1 . . . . 61 LYS HG3 . 17993 1 661 . 1 1 61 61 LYS HD2 H 1 1.66 0.05 . 2 . . . . 61 LYS HD2 . 17993 1 662 . 1 1 61 61 LYS HE2 H 1 2.97 0.05 . 2 . . . . 61 LYS HE2 . 17993 1 663 . 1 1 61 61 LYS C C 13 179.64 0.50 . 1 . . . . 61 LYS C . 17993 1 664 . 1 1 61 61 LYS CA C 13 60.72 0.50 . 1 . . . . 61 LYS CA . 17993 1 665 . 1 1 61 61 LYS CB C 13 32.32 0.50 . 1 . . . . 61 LYS CB . 17993 1 666 . 1 1 61 61 LYS CG C 13 25.40 0.50 . 1 . . . . 61 LYS CG . 17993 1 667 . 1 1 61 61 LYS CD C 13 29.26 0.50 . 1 . . . . 61 LYS CD . 17993 1 668 . 1 1 61 61 LYS CE C 13 42.02 0.50 . 1 . . . . 61 LYS CE . 17993 1 669 . 1 1 61 61 LYS N N 15 118.79 0.50 . 1 . . . . 61 LYS N . 17993 1 670 . 1 1 62 62 TRP H H 1 8.03 0.05 . 1 . . . . 62 TRP H . 17993 1 671 . 1 1 62 62 TRP HA H 1 4.17 0.05 . 1 . . . . 62 TRP HA . 17993 1 672 . 1 1 62 62 TRP HB2 H 1 3.44 0.05 . 1 . . . . 62 TRP HB2 . 17993 1 673 . 1 1 62 62 TRP HB3 H 1 3.55 0.05 . 1 . . . . 62 TRP HB3 . 17993 1 674 . 1 1 62 62 TRP C C 13 178.94 0.50 . 1 . . . . 62 TRP C . 17993 1 675 . 1 1 62 62 TRP CA C 13 60.78 0.50 . 1 . . . . 62 TRP CA . 17993 1 676 . 1 1 62 62 TRP CB C 13 29.02 0.50 . 1 . . . . 62 TRP CB . 17993 1 677 . 1 1 62 62 TRP N N 15 121.18 0.50 . 1 . . . . 62 TRP N . 17993 1 678 . 1 1 63 63 LYS H H 1 8.23 0.05 . 1 . . . . 63 LYS H . 17993 1 679 . 1 1 63 63 LYS HA H 1 3.91 0.05 . 1 . . . . 63 LYS HA . 17993 1 680 . 1 1 63 63 LYS HB2 H 1 2.02 0.05 . 1 . . . . 63 LYS HB2 . 17993 1 681 . 1 1 63 63 LYS HB3 H 1 2.12 0.05 . 1 . . . . 63 LYS HB3 . 17993 1 682 . 1 1 63 63 LYS HG2 H 1 1.68 0.05 . 2 . . . . 63 LYS HG2 . 17993 1 683 . 1 1 63 63 LYS HD2 H 1 1.83 0.05 . 2 . . . . 63 LYS HD2 . 17993 1 684 . 1 1 63 63 LYS HE2 H 1 2.95 0.05 . 2 . . . . 63 LYS HE2 . 17993 1 685 . 1 1 63 63 LYS C C 13 178.80 0.50 . 1 . . . . 63 LYS C . 17993 1 686 . 1 1 63 63 LYS CA C 13 59.51 0.50 . 1 . . . . 63 LYS CA . 17993 1 687 . 1 1 63 63 LYS CB C 13 32.65 0.50 . 1 . . . . 63 LYS CB . 17993 1 688 . 1 1 63 63 LYS CG C 13 25.54 0.50 . 1 . . . . 63 LYS CG . 17993 1 689 . 1 1 63 63 LYS CD C 13 29.92 0.50 . 1 . . . . 63 LYS CD . 17993 1 690 . 1 1 63 63 LYS CE C 13 42.05 0.50 . 1 . . . . 63 LYS CE . 17993 1 691 . 1 1 63 63 LYS N N 15 121.63 0.50 . 1 . . . . 63 LYS N . 17993 1 692 . 1 1 64 64 LEU H H 1 8.68 0.05 . 1 . . . . 64 LEU H . 17993 1 693 . 1 1 64 64 LEU HA H 1 3.91 0.05 . 1 . . . . 64 LEU HA . 17993 1 694 . 1 1 64 64 LEU HB2 H 1 1.83 0.05 . 1 . . . . 64 LEU HB2 . 17993 1 695 . 1 1 64 64 LEU HB3 H 1 1.67 0.05 . 1 . . . . 64 LEU HB3 . 17993 1 696 . 1 1 64 64 LEU HG H 1 1.58 0.05 . 1 . . . . 64 LEU HG . 17993 1 697 . 1 1 64 64 LEU HD11 H 1 0.94 0.05 . 1 . . . . 64 LEU MD1 . 17993 1 698 . 1 1 64 64 LEU HD12 H 1 0.94 0.05 . 1 . . . . 64 LEU MD1 . 17993 1 699 . 1 1 64 64 LEU HD13 H 1 0.94 0.05 . 1 . . . . 64 LEU MD1 . 17993 1 700 . 1 1 64 64 LEU HD21 H 1 0.91 0.05 . 1 . . . . 64 LEU MD2 . 17993 1 701 . 1 1 64 64 LEU HD22 H 1 0.91 0.05 . 1 . . . . 64 LEU MD2 . 17993 1 702 . 1 1 64 64 LEU HD23 H 1 0.91 0.05 . 1 . . . . 64 LEU MD2 . 17993 1 703 . 1 1 64 64 LEU C C 13 178.36 0.50 . 1 . . . . 64 LEU C . 17993 1 704 . 1 1 64 64 LEU CA C 13 58.56 0.50 . 1 . . . . 64 LEU CA . 17993 1 705 . 1 1 64 64 LEU CB C 13 42.02 0.50 . 1 . . . . 64 LEU CB . 17993 1 706 . 1 1 64 64 LEU CG C 13 27.52 0.50 . 1 . . . . 64 LEU CG . 17993 1 707 . 1 1 64 64 LEU CD1 C 13 24.22 0.50 . 1 . . . . 64 LEU CD1 . 17993 1 708 . 1 1 64 64 LEU CD2 C 13 25.19 0.50 . 1 . . . . 64 LEU CD2 . 17993 1 709 . 1 1 64 64 LEU N N 15 120.82 0.50 . 1 . . . . 64 LEU N . 17993 1 710 . 1 1 65 65 GLN H H 1 7.81 0.05 . 1 . . . . 65 GLN H . 17993 1 711 . 1 1 65 65 GLN HA H 1 4.09 0.05 . 1 . . . . 65 GLN HA . 17993 1 712 . 1 1 65 65 GLN HB2 H 1 1.90 0.05 . 1 . . . . 65 GLN HB2 . 17993 1 713 . 1 1 65 65 GLN HB3 H 1 2.06 0.05 . 1 . . . . 65 GLN HB3 . 17993 1 714 . 1 1 65 65 GLN HG2 H 1 2.16 0.05 . 2 . . . . 65 GLN HG2 . 17993 1 715 . 1 1 65 65 GLN C C 13 178.79 0.50 . 1 . . . . 65 GLN C . 17993 1 716 . 1 1 65 65 GLN CA C 13 58.97 0.50 . 1 . . . . 65 GLN CA . 17993 1 717 . 1 1 65 65 GLN CB C 13 27.89 0.50 . 1 . . . . 65 GLN CB . 17993 1 718 . 1 1 65 65 GLN CG C 13 33.76 0.50 . 1 . . . . 65 GLN CG . 17993 1 719 . 1 1 65 65 GLN N N 15 117.24 0.50 . 1 . . . . 65 GLN N . 17993 1 720 . 1 1 66 66 ALA H H 1 7.61 0.05 . 1 . . . . 66 ALA H . 17993 1 721 . 1 1 66 66 ALA HA H 1 3.96 0.05 . 1 . . . . 66 ALA HA . 17993 1 722 . 1 1 66 66 ALA HB1 H 1 1.26 0.05 . 1 . . . . 66 ALA MB . 17993 1 723 . 1 1 66 66 ALA HB2 H 1 1.26 0.05 . 1 . . . . 66 ALA MB . 17993 1 724 . 1 1 66 66 ALA HB3 H 1 1.26 0.05 . 1 . . . . 66 ALA MB . 17993 1 725 . 1 1 66 66 ALA C C 13 181.33 0.50 . 1 . . . . 66 ALA C . 17993 1 726 . 1 1 66 66 ALA CA C 13 55.22 0.50 . 1 . . . . 66 ALA CA . 17993 1 727 . 1 1 66 66 ALA CB C 13 17.65 0.50 . 1 . . . . 66 ALA CB . 17993 1 728 . 1 1 66 66 ALA N N 15 122.68 0.50 . 1 . . . . 66 ALA N . 17993 1 729 . 1 1 67 67 LEU H H 1 8.45 0.05 . 1 . . . . 67 LEU H . 17993 1 730 . 1 1 67 67 LEU HA H 1 4.09 0.05 . 1 . . . . 67 LEU HA . 17993 1 731 . 1 1 67 67 LEU HB2 H 1 1.80 0.05 . 1 . . . . 67 LEU HB2 . 17993 1 732 . 1 1 67 67 LEU HB3 H 1 2.03 0.05 . 1 . . . . 67 LEU HB3 . 17993 1 733 . 1 1 67 67 LEU HG H 1 1.33 0.05 . 1 . . . . 67 LEU HG . 17993 1 734 . 1 1 67 67 LEU HD11 H 1 0.85 0.05 . 1 . . . . 67 LEU MD1 . 17993 1 735 . 1 1 67 67 LEU HD12 H 1 0.85 0.05 . 1 . . . . 67 LEU MD1 . 17993 1 736 . 1 1 67 67 LEU HD13 H 1 0.85 0.05 . 1 . . . . 67 LEU MD1 . 17993 1 737 . 1 1 67 67 LEU HD21 H 1 0.91 0.05 . 1 . . . . 67 LEU MD2 . 17993 1 738 . 1 1 67 67 LEU HD22 H 1 0.91 0.05 . 1 . . . . 67 LEU MD2 . 17993 1 739 . 1 1 67 67 LEU HD23 H 1 0.91 0.05 . 1 . . . . 67 LEU MD2 . 17993 1 740 . 1 1 67 67 LEU C C 13 180.39 0.05 . 1 . . . . 67 LEU C . 17993 1 741 . 1 1 67 67 LEU CA C 13 57.98 0.50 . 1 . . . . 67 LEU CA . 17993 1 742 . 1 1 67 67 LEU CB C 13 42.67 0.50 . 1 . . . . 67 LEU CB . 17993 1 743 . 1 1 67 67 LEU CG C 13 25.90 0.50 . 1 . . . . 67 LEU CG . 17993 1 744 . 1 1 67 67 LEU CD1 C 13 23.33 0.50 . 1 . . . . 67 LEU CD1 . 17993 1 745 . 1 1 67 67 LEU CD2 C 13 23.77 0.50 . 1 . . . . 67 LEU CD2 . 17993 1 746 . 1 1 67 67 LEU N N 15 120.99 0.50 . 1 . . . . 67 LEU N . 17993 1 747 . 1 1 68 68 LYS H H 1 8.66 0.05 . 1 . . . . 68 LYS H . 17993 1 748 . 1 1 68 68 LYS HA H 1 3.92 0.05 . 1 . . . . 68 LYS HA . 17993 1 749 . 1 1 68 68 LYS HB2 H 1 2.05 0.05 . 2 . . . . 68 LYS HB2 . 17993 1 750 . 1 1 68 68 LYS HG2 H 1 1.39 0.05 . 2 . . . . 68 LYS HG2 . 17993 1 751 . 1 1 68 68 LYS HD2 H 1 1.67 0.05 . 2 . . . . 68 LYS HD2 . 17993 1 752 . 1 1 68 68 LYS HE2 H 1 2.96 0.05 . 2 . . . . 68 LYS HE2 . 17993 1 753 . 1 1 68 68 LYS C C 13 179.64 0.50 . 1 . . . . 68 LYS C . 17993 1 754 . 1 1 68 68 LYS CA C 13 60.17 0.50 . 1 . . . . 68 LYS CA . 17993 1 755 . 1 1 68 68 LYS CB C 13 32.29 0.50 . 1 . . . . 68 LYS CB . 17993 1 756 . 1 1 68 68 LYS CG C 13 23.92 0.50 . 1 . . . . 68 LYS CG . 17993 1 757 . 1 1 68 68 LYS CD C 13 29.14 0.50 . 1 . . . . 68 LYS CD . 17993 1 758 . 1 1 68 68 LYS CE C 13 42.01 0.50 . 1 . . . . 68 LYS CE . 17993 1 759 . 1 1 68 68 LYS N N 15 121.23 0.50 . 1 . . . . 68 LYS N . 17993 1 760 . 1 1 69 69 LYS H H 1 7.87 0.05 . 1 . . . . 69 LYS H . 17993 1 761 . 1 1 69 69 LYS HA H 1 4.12 0.05 . 1 . . . . 69 LYS HA . 17993 1 762 . 1 1 69 69 LYS HB2 H 1 1.91 0.05 . 2 . . . . 69 LYS HB2 . 17993 1 763 . 1 1 69 69 LYS HG2 H 1 1.57 0.05 . 2 . . . . 69 LYS HG2 . 17993 1 764 . 1 1 69 69 LYS HD2 H 1 1.40 0.05 . 2 . . . . 69 LYS HD2 . 17993 1 765 . 1 1 69 69 LYS HE2 H 1 2.95 0.05 . 2 . . . . 69 LYS HE2 . 17993 1 766 . 1 1 69 69 LYS C C 13 179.24 0.50 . 1 . . . . 69 LYS C . 17993 1 767 . 1 1 69 69 LYS CA C 13 59.62 0.50 . 1 . . . . 69 LYS CA . 17993 1 768 . 1 1 69 69 LYS CB C 13 32.15 0.50 . 1 . . . . 69 LYS CB . 17993 1 769 . 1 1 69 69 LYS CG C 13 29.17 0.50 . 1 . . . . 69 LYS CG . 17993 1 770 . 1 1 69 69 LYS CD C 13 27.73 0.50 . 1 . . . . 69 LYS CD . 17993 1 771 . 1 1 69 69 LYS CE C 13 42.28 0.50 . 1 . . . . 69 LYS CE . 17993 1 772 . 1 1 69 69 LYS N N 15 121.91 0.50 . 1 . . . . 69 LYS N . 17993 1 773 . 1 1 70 70 LYS H H 1 7.73 0.05 . 1 . . . . 70 LYS H . 17993 1 774 . 1 1 70 70 LYS HA H 1 4.13 0.05 . 1 . . . . 70 LYS HA . 17993 1 775 . 1 1 70 70 LYS HB2 H 1 1.91 0.05 . 2 . . . . 70 LYS HB2 . 17993 1 776 . 1 1 70 70 LYS HG2 H 1 1.40 0.05 . 1 . . . . 70 LYS HG2 . 17993 1 777 . 1 1 70 70 LYS HG3 H 1 1.52 0.05 . 1 . . . . 70 LYS HG3 . 17993 1 778 . 1 1 70 70 LYS HD2 H 1 1.67 0.05 . 2 . . . . 70 LYS HD2 . 17993 1 779 . 1 1 70 70 LYS HE2 H 1 2.96 0.05 . 2 . . . . 70 LYS HE2 . 17993 1 780 . 1 1 70 70 LYS C C 13 177.87 0.50 . 1 . . . . 70 LYS C . 17993 1 781 . 1 1 70 70 LYS CA C 13 58.72 0.50 . 1 . . . . 70 LYS CA . 17993 1 782 . 1 1 70 70 LYS CB C 13 31.95 0.50 . 1 . . . . 70 LYS CB . 17993 1 783 . 1 1 70 70 LYS CG C 13 24.99 0.50 . 1 . . . . 70 LYS CG . 17993 1 784 . 1 1 70 70 LYS CD C 13 28.98 0.50 . 1 . . . . 70 LYS CD . 17993 1 785 . 1 1 70 70 LYS CE C 13 42.02 0.50 . 1 . . . . 70 LYS CE . 17993 1 786 . 1 1 70 70 LYS N N 15 120.44 0.50 . 1 . . . . 70 LYS N . 17993 1 787 . 1 1 71 71 ASN H H 1 8.40 0.05 . 1 . . . . 71 ASN H . 17993 1 788 . 1 1 71 71 ASN HA H 1 4.00 0.05 . 1 . . . . 71 ASN HA . 17993 1 789 . 1 1 71 71 ASN HB2 H 1 2.75 0.05 . 1 . . . . 71 ASN HB2 . 17993 1 790 . 1 1 71 71 ASN HB3 H 1 3.45 0.05 . 1 . . . . 71 ASN HB3 . 17993 1 791 . 1 1 71 71 ASN HD21 H 1 7.36 0.05 . 1 . . . . 71 ASN HD21 . 17993 1 792 . 1 1 71 71 ASN HD22 H 1 8.06 0.05 . 1 . . . . 71 ASN HD22 . 17993 1 793 . 1 1 71 71 ASN C C 13 178.93 0.50 . 1 . . . . 71 ASN C . 17993 1 794 . 1 1 71 71 ASN CA C 13 58.57 0.50 . 1 . . . . 71 ASN CA . 17993 1 795 . 1 1 71 71 ASN CB C 13 40.28 0.50 . 1 . . . . 71 ASN CB . 17993 1 796 . 1 1 71 71 ASN N N 15 119.55 0.50 . 1 . . . . 71 ASN N . 17993 1 797 . 1 1 71 71 ASN ND2 N 15 111.92 0.50 . 1 . . . . 71 ASN ND2 . 17993 1 798 . 1 1 72 72 ALA H H 1 7.72 0.05 . 1 . . . . 72 ALA H . 17993 1 799 . 1 1 72 72 ALA HA H 1 4.13 0.05 . 1 . . . . 72 ALA HA . 17993 1 800 . 1 1 72 72 ALA HB1 H 1 1.46 0.05 . 1 . . . . 72 ALA MB . 17993 1 801 . 1 1 72 72 ALA HB2 H 1 1.46 0.05 . 1 . . . . 72 ALA MB . 17993 1 802 . 1 1 72 72 ALA HB3 H 1 1.46 0.05 . 1 . . . . 72 ALA MB . 17993 1 803 . 1 1 72 72 ALA C C 13 180.83 0.50 . 1 . . . . 72 ALA C . 17993 1 804 . 1 1 72 72 ALA CA C 13 55.14 0.50 . 1 . . . . 72 ALA CA . 17993 1 805 . 1 1 72 72 ALA CB C 13 18.25 0.50 . 1 . . . . 72 ALA CB . 17993 1 806 . 1 1 72 72 ALA N N 15 118.68 0.50 . 1 . . . . 72 ALA N . 17993 1 807 . 1 1 73 73 GLN H H 1 7.84 0.05 . 1 . . . . 73 GLN H . 17993 1 808 . 1 1 73 73 GLN HA H 1 4.04 0.05 . 1 . . . . 73 GLN HA . 17993 1 809 . 1 1 73 73 GLN HB2 H 1 1.92 0.05 . 1 . . . . 73 GLN HB2 . 17993 1 810 . 1 1 73 73 GLN HB3 H 1 2.16 0.05 . 1 . . . . 73 GLN HB3 . 17993 1 811 . 1 1 73 73 GLN HG2 H 1 2.34 0.05 . 1 . . . . 73 GLN HG2 . 17993 1 812 . 1 1 73 73 GLN HG3 H 1 2.60 0.05 . 1 . . . . 73 GLN HG3 . 17993 1 813 . 1 1 73 73 GLN C C 13 179.25 0.50 . 1 . . . . 73 GLN C . 17993 1 814 . 1 1 73 73 GLN CA C 13 58.89 0.50 . 1 . . . . 73 GLN CA . 17993 1 815 . 1 1 73 73 GLN CB C 13 28.63 0.50 . 1 . . . . 73 GLN CB . 17993 1 816 . 1 1 73 73 GLN CG C 13 36.81 0.50 . 1 . . . . 73 GLN CG . 17993 1 817 . 1 1 73 73 GLN N N 15 118.50 0.50 . 1 . . . . 73 GLN N . 17993 1 818 . 1 1 74 74 LEU H H 1 8.52 0.05 . 1 . . . . 74 LEU H . 17993 1 819 . 1 1 74 74 LEU HA H 1 4.11 0.05 . 1 . . . . 74 LEU HA . 17993 1 820 . 1 1 74 74 LEU HB2 H 1 1.60 0.05 . 1 . . . . 74 LEU HB2 . 17993 1 821 . 1 1 74 74 LEU HB3 H 1 1.77 0.05 . 1 . . . . 74 LEU HB3 . 17993 1 822 . 1 1 74 74 LEU HG H 1 1.44 0.05 . 1 . . . . 74 LEU HG . 17993 1 823 . 1 1 74 74 LEU HD11 H 1 0.83 0.05 . 1 . . . . 74 LEU MD1 . 17993 1 824 . 1 1 74 74 LEU HD12 H 1 0.83 0.05 . 1 . . . . 74 LEU MD1 . 17993 1 825 . 1 1 74 74 LEU HD13 H 1 0.83 0.05 . 1 . . . . 74 LEU MD1 . 17993 1 826 . 1 1 74 74 LEU HD21 H 1 0.89 0.05 . 1 . . . . 74 LEU MD2 . 17993 1 827 . 1 1 74 74 LEU HD22 H 1 0.89 0.05 . 1 . . . . 74 LEU MD2 . 17993 1 828 . 1 1 74 74 LEU HD23 H 1 0.89 0.05 . 1 . . . . 74 LEU MD2 . 17993 1 829 . 1 1 74 74 LEU C C 13 178.87 0.50 . 1 . . . . 74 LEU C . 17993 1 830 . 1 1 74 74 LEU CA C 13 57.96 0.50 . 1 . . . . 74 LEU CA . 17993 1 831 . 1 1 74 74 LEU CB C 13 43.16 0.50 . 1 . . . . 74 LEU CB . 17993 1 832 . 1 1 74 74 LEU CG C 13 26.17 0.50 . 1 . . . . 74 LEU CG . 17993 1 833 . 1 1 74 74 LEU CD1 C 13 23.22 0.50 . 1 . . . . 74 LEU CD1 . 17993 1 834 . 1 1 74 74 LEU CD2 C 13 19.98 0.50 . 1 . . . . 74 LEU CD2 . 17993 1 835 . 1 1 74 74 LEU N N 15 121.19 0.50 . 1 . . . . 74 LEU N . 17993 1 836 . 1 1 75 75 LYS H H 1 8.16 0.05 . 1 . . . . 75 LYS H . 17993 1 837 . 1 1 75 75 LYS HA H 1 3.90 0.05 . 1 . . . . 75 LYS HA . 17993 1 838 . 1 1 75 75 LYS HB2 H 1 1.82 0.05 . 2 . . . . 75 LYS HB2 . 17993 1 839 . 1 1 75 75 LYS HG2 H 1 1.55 0.05 . 2 . . . . 75 LYS HG2 . 17993 1 840 . 1 1 75 75 LYS HD2 H 1 1.66 0.05 . 2 . . . . 75 LYS HD2 . 17993 1 841 . 1 1 75 75 LYS HE2 H 1 2.97 0.05 . 2 . . . . 75 LYS HE2 . 17993 1 842 . 1 1 75 75 LYS C C 13 179.12 0.50 . 1 . . . . 75 LYS C . 17993 1 843 . 1 1 75 75 LYS CA C 13 60.24 0.50 . 1 . . . . 75 LYS CA . 17993 1 844 . 1 1 75 75 LYS CB C 13 32.63 0.50 . 1 . . . . 75 LYS CB . 17993 1 845 . 1 1 75 75 LYS CG C 13 27.33 0.50 . 1 . . . . 75 LYS CG . 17993 1 846 . 1 1 75 75 LYS CD C 13 29.65 0.50 . 1 . . . . 75 LYS CD . 17993 1 847 . 1 1 75 75 LYS CE C 13 41.93 0.50 . 1 . . . . 75 LYS CE . 17993 1 848 . 1 1 75 75 LYS N N 15 117.03 0.50 . 1 . . . . 75 LYS N . 17993 1 849 . 1 1 76 76 LYS H H 1 7.62 0.05 . 1 . . . . 76 LYS H . 17993 1 850 . 1 1 76 76 LYS HA H 1 4.02 0.05 . 1 . . . . 76 LYS HA . 17993 1 851 . 1 1 76 76 LYS HB2 H 1 1.91 0.05 . 2 . . . . 76 LYS HB2 . 17993 1 852 . 1 1 76 76 LYS HG2 H 1 1.54 0.05 . 2 . . . . 76 LYS HG2 . 17993 1 853 . 1 1 76 76 LYS HD2 H 1 1.69 0.05 . 2 . . . . 76 LYS HD2 . 17993 1 854 . 1 1 76 76 LYS HE2 H 1 2.91 0.05 . 2 . . . . 76 LYS HE2 . 17993 1 855 . 1 1 76 76 LYS C C 13 178.12 0.50 . 1 . . . . 76 LYS C . 17993 1 856 . 1 1 76 76 LYS CA C 13 58.68 0.50 . 1 . . . . 76 LYS CA . 17993 1 857 . 1 1 76 76 LYS CB C 13 32.42 0.50 . 1 . . . . 76 LYS CB . 17993 1 858 . 1 1 76 76 LYS CG C 13 25.09 0.50 . 1 . . . . 76 LYS CG . 17993 1 859 . 1 1 76 76 LYS CD C 13 29.29 0.50 . 1 . . . . 76 LYS CD . 17993 1 860 . 1 1 76 76 LYS CE C 13 41.65 0.50 . 1 . . . . 76 LYS CE . 17993 1 861 . 1 1 76 76 LYS N N 15 118.42 0.50 . 1 . . . . 76 LYS N . 17993 1 862 . 1 1 77 77 LYS H H 1 7.73 0.05 . 1 . . . . 77 LYS H . 17993 1 863 . 1 1 77 77 LYS HA H 1 4.11 0.05 . 1 . . . . 77 LYS HA . 17993 1 864 . 1 1 77 77 LYS HB2 H 1 1.68 0.05 . 1 . . . . 77 LYS HB2 . 17993 1 865 . 1 1 77 77 LYS HB3 H 1 1.95 0.05 . 1 . . . . 77 LYS HB3 . 17993 1 866 . 1 1 77 77 LYS HG2 H 1 1.37 0.05 . 1 . . . . 77 LYS HG2 . 17993 1 867 . 1 1 77 77 LYS HG3 H 1 1.55 0.05 . 1 . . . . 77 LYS HG3 . 17993 1 868 . 1 1 77 77 LYS HD2 H 1 1.63 0.05 . 2 . . . . 77 LYS HD2 . 17993 1 869 . 1 1 77 77 LYS HE2 H 1 2.96 0.05 . 2 . . . . 77 LYS HE2 . 17993 1 870 . 1 1 77 77 LYS C C 13 178.13 0.50 . 1 . . . . 77 LYS C . 17993 1 871 . 1 1 77 77 LYS CA C 13 58.63 0.50 . 1 . . . . 77 LYS CA . 17993 1 872 . 1 1 77 77 LYS CB C 13 33.08 0.50 . 1 . . . . 77 LYS CB . 17993 1 873 . 1 1 77 77 LYS CG C 13 25.48 0.50 . 1 . . . . 77 LYS CG . 17993 1 874 . 1 1 77 77 LYS CD C 13 29.48 0.50 . 1 . . . . 77 LYS CD . 17993 1 875 . 1 1 77 77 LYS CE C 13 42.30 0.50 . 1 . . . . 77 LYS CE . 17993 1 876 . 1 1 77 77 LYS N N 15 118.92 0.50 . 1 . . . . 77 LYS N . 17993 1 877 . 1 1 78 78 LEU H H 1 7.75 0.05 . 1 . . . . 78 LEU H . 17993 1 878 . 1 1 78 78 LEU HA H 1 4.13 0.05 . 1 . . . . 78 LEU HA . 17993 1 879 . 1 1 78 78 LEU HB2 H 1 1.55 0.05 . 2 . . . . 78 LEU HB2 . 17993 1 880 . 1 1 78 78 LEU HG H 1 1.65 0.05 . 1 . . . . 78 LEU HG . 17993 1 881 . 1 1 78 78 LEU HD11 H 1 0.88 0.05 . 1 . . . . 78 LEU MD1 . 17993 1 882 . 1 1 78 78 LEU HD12 H 1 0.88 0.05 . 1 . . . . 78 LEU MD1 . 17993 1 883 . 1 1 78 78 LEU HD13 H 1 0.88 0.05 . 1 . . . . 78 LEU MD1 . 17993 1 884 . 1 1 78 78 LEU HD21 H 1 0.82 0.05 . 1 . . . . 78 LEU MD2 . 17993 1 885 . 1 1 78 78 LEU HD22 H 1 0.82 0.05 . 1 . . . . 78 LEU MD2 . 17993 1 886 . 1 1 78 78 LEU HD23 H 1 0.82 0.05 . 1 . . . . 78 LEU MD2 . 17993 1 887 . 1 1 78 78 LEU C C 13 177.19 0.50 . 1 . . . . 78 LEU C . 17993 1 888 . 1 1 78 78 LEU CA C 13 56.07 0.50 . 1 . . . . 78 LEU CA . 17993 1 889 . 1 1 78 78 LEU CB C 13 43.07 0.50 . 1 . . . . 78 LEU CB . 17993 1 890 . 1 1 78 78 LEU CG C 13 27.52 0.50 . 1 . . . . 78 LEU CG . 17993 1 891 . 1 1 78 78 LEU CD1 C 13 26.00 0.50 . 1 . . . . 78 LEU CD1 . 17993 1 892 . 1 1 78 78 LEU CD2 C 13 25.70 0.50 . 1 . . . . 78 LEU CD2 . 17993 1 893 . 1 1 78 78 LEU N N 15 119.25 0.50 . 1 . . . . 78 LEU N . 17993 1 894 . 1 1 79 79 GLN H H 1 7.68 0.05 . 1 . . . . 79 GLN H . 17993 1 895 . 1 1 79 79 GLN HA H 1 4.27 0.05 . 1 . . . . 79 GLN HA . 17993 1 896 . 1 1 79 79 GLN HB2 H 1 1.67 0.05 . 1 . . . . 79 GLN HB2 . 17993 1 897 . 1 1 79 79 GLN HB3 H 1 1.97 0.05 . 1 . . . . 79 GLN HB3 . 17993 1 898 . 1 1 79 79 GLN HG2 H 1 2.18 0.05 . 1 . . . . 79 GLN HG2 . 17993 1 899 . 1 1 79 79 GLN HG3 H 1 2.43 0.05 . 1 . . . . 79 GLN HG3 . 17993 1 900 . 1 1 79 79 GLN C C 13 174.65 0.50 . 1 . . . . 79 GLN C . 17993 1 901 . 1 1 79 79 GLN CA C 13 56.01 0.50 . 1 . . . . 79 GLN CA . 17993 1 902 . 1 1 79 79 GLN CB C 13 29.13 0.50 . 1 . . . . 79 GLN CB . 17993 1 903 . 1 1 79 79 GLN CG C 13 33.73 0.50 . 1 . . . . 79 GLN CG . 17993 1 904 . 1 1 79 79 GLN N N 15 118.94 0.50 . 1 . . . . 79 GLN N . 17993 1 905 . 1 1 80 80 ALA H H 1 7.76 0.05 . 1 . . . . 80 ALA H . 17993 1 906 . 1 1 80 80 ALA HA H 1 4.12 0.05 . 1 . . . . 80 ALA HA . 17993 1 907 . 1 1 80 80 ALA HB1 H 1 1.37 0.05 . 1 . . . . 80 ALA MB . 17993 1 908 . 1 1 80 80 ALA HB2 H 1 1.37 0.05 . 1 . . . . 80 ALA MB . 17993 1 909 . 1 1 80 80 ALA HB3 H 1 1.37 0.05 . 1 . . . . 80 ALA MB . 17993 1 910 . 1 1 80 80 ALA C C 13 182.60 0.50 . 1 . . . . 80 ALA C . 17993 1 911 . 1 1 80 80 ALA CA C 13 54.10 0.50 . 1 . . . . 80 ALA CA . 17993 1 912 . 1 1 80 80 ALA CB C 13 20.09 0.50 . 1 . . . . 80 ALA CB . 17993 1 913 . 1 1 80 80 ALA N N 15 130.26 0.50 . 1 . . . . 80 ALA N . 17993 1 stop_ save_