data_15990 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15990 _Entry.Title ; Structure of the Core Binding Domain of sigma54 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-10-19 _Entry.Accession_date 2008-10-19 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.125 _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 Eunmi Hong . . . 15990 2 'David E.' Wemmer . . . 15990 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15990 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 254 15990 '15N chemical shifts' 72 15990 '1H chemical shifts' 558 15990 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 . . 2009-06-17 2008-10-19 update BMRB 'complete entry citation' 15990 1 . . 2009-05-29 2008-10-19 original author 'original release' 15990 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15990 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19426742 _Citation.Full_citation . _Citation.Title 'Structure of the RNA Polymerase Core-Binding Domain of sigma(54) Reveals a Likely Conformational Fracture Point.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 390 _Citation.Journal_issue 1 _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 70 _Citation.Page_last 82 _Citation.Year 2009 _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 Eunmi Hong . . . 15990 1 2 Michaeleen Doucleff . . . 15990 1 3 David Wemmer . E. . 15990 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15990 _Assembly.ID 1 _Assembly.Name 'RNAP monomer' _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 'subunit 1' 1 $RNAP A . yes native no no . . . 15990 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNAP _Entity.Sf_category entity _Entity.Sf_framecode RNAP _Entity.Entry_ID 15990 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNAP _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 ; KETVPYQIPYTPSELEELQQ NIKLELEGKEQELALELLNY LNEKGFLSKSVEEISDVLRC SVEELEKVRQKVLRLE ; _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 76 _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 2015-11-26 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 BMRB 15991 . Core_Binding_Domain . . . . . 88.16 130 100.00 100.00 9.19e-34 . . . . 15990 1 2 no PDB 2K9L . "Structure Of The Core Binding Domain Of Sigma54" . . . . . 100.00 76 100.00 100.00 5.47e-42 . . . . 15990 1 3 no PDB 2K9M . "Structure Of The Core Binding Domain Of Sigma54" . . . . . 88.16 130 100.00 100.00 9.19e-34 . . . . 15990 1 4 no GB AAC06814 . "RNA polymerase sigma factor RpoN [Aquifex aeolicus VF5]" . . . . . 100.00 398 100.00 100.00 2.83e-39 . . . . 15990 1 5 no REF NP_213418 . "RNA polymerase sigma factor RpoN [Aquifex aeolicus VF5]" . . . . . 100.00 398 100.00 100.00 2.83e-39 . . . . 15990 1 6 no REF WP_010880356 . "RNA polymerase sigma-54 factor [Aquifex aeolicus]" . . . . . 100.00 398 100.00 100.00 2.83e-39 . . . . 15990 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 . LYS . 15990 1 2 . GLU . 15990 1 3 . THR . 15990 1 4 . VAL . 15990 1 5 . PRO . 15990 1 6 . TYR . 15990 1 7 . GLN . 15990 1 8 . ILE . 15990 1 9 . PRO . 15990 1 10 . TYR . 15990 1 11 . THR . 15990 1 12 . PRO . 15990 1 13 . SER . 15990 1 14 . GLU . 15990 1 15 . LEU . 15990 1 16 . GLU . 15990 1 17 . GLU . 15990 1 18 . LEU . 15990 1 19 . GLN . 15990 1 20 . GLN . 15990 1 21 . ASN . 15990 1 22 . ILE . 15990 1 23 . LYS . 15990 1 24 . LEU . 15990 1 25 . GLU . 15990 1 26 . LEU . 15990 1 27 . GLU . 15990 1 28 . GLY . 15990 1 29 . LYS . 15990 1 30 . GLU . 15990 1 31 . GLN . 15990 1 32 . GLU . 15990 1 33 . LEU . 15990 1 34 . ALA . 15990 1 35 . LEU . 15990 1 36 . GLU . 15990 1 37 . LEU . 15990 1 38 . LEU . 15990 1 39 . ASN . 15990 1 40 . TYR . 15990 1 41 . LEU . 15990 1 42 . ASN . 15990 1 43 . GLU . 15990 1 44 . LYS . 15990 1 45 . GLY . 15990 1 46 . PHE . 15990 1 47 . LEU . 15990 1 48 . SER . 15990 1 49 . LYS . 15990 1 50 . SER . 15990 1 51 . VAL . 15990 1 52 . GLU . 15990 1 53 . GLU . 15990 1 54 . ILE . 15990 1 55 . SER . 15990 1 56 . ASP . 15990 1 57 . VAL . 15990 1 58 . LEU . 15990 1 59 . ARG . 15990 1 60 . CYS . 15990 1 61 . SER . 15990 1 62 . VAL . 15990 1 63 . GLU . 15990 1 64 . GLU . 15990 1 65 . LEU . 15990 1 66 . GLU . 15990 1 67 . LYS . 15990 1 68 . VAL . 15990 1 69 . ARG . 15990 1 70 . GLN . 15990 1 71 . LYS . 15990 1 72 . VAL . 15990 1 73 . LEU . 15990 1 74 . ARG . 15990 1 75 . LEU . 15990 1 76 . GLU . 15990 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 . LYS 1 1 15990 1 . GLU 2 2 15990 1 . THR 3 3 15990 1 . VAL 4 4 15990 1 . PRO 5 5 15990 1 . TYR 6 6 15990 1 . GLN 7 7 15990 1 . ILE 8 8 15990 1 . PRO 9 9 15990 1 . TYR 10 10 15990 1 . THR 11 11 15990 1 . PRO 12 12 15990 1 . SER 13 13 15990 1 . GLU 14 14 15990 1 . LEU 15 15 15990 1 . GLU 16 16 15990 1 . GLU 17 17 15990 1 . LEU 18 18 15990 1 . GLN 19 19 15990 1 . GLN 20 20 15990 1 . ASN 21 21 15990 1 . ILE 22 22 15990 1 . LYS 23 23 15990 1 . LEU 24 24 15990 1 . GLU 25 25 15990 1 . LEU 26 26 15990 1 . GLU 27 27 15990 1 . GLY 28 28 15990 1 . LYS 29 29 15990 1 . GLU 30 30 15990 1 . GLN 31 31 15990 1 . GLU 32 32 15990 1 . LEU 33 33 15990 1 . ALA 34 34 15990 1 . LEU 35 35 15990 1 . GLU 36 36 15990 1 . LEU 37 37 15990 1 . LEU 38 38 15990 1 . ASN 39 39 15990 1 . TYR 40 40 15990 1 . LEU 41 41 15990 1 . ASN 42 42 15990 1 . GLU 43 43 15990 1 . LYS 44 44 15990 1 . GLY 45 45 15990 1 . PHE 46 46 15990 1 . LEU 47 47 15990 1 . SER 48 48 15990 1 . LYS 49 49 15990 1 . SER 50 50 15990 1 . VAL 51 51 15990 1 . GLU 52 52 15990 1 . GLU 53 53 15990 1 . ILE 54 54 15990 1 . SER 55 55 15990 1 . ASP 56 56 15990 1 . VAL 57 57 15990 1 . LEU 58 58 15990 1 . ARG 59 59 15990 1 . CYS 60 60 15990 1 . SER 61 61 15990 1 . VAL 62 62 15990 1 . GLU 63 63 15990 1 . GLU 64 64 15990 1 . LEU 65 65 15990 1 . GLU 66 66 15990 1 . LYS 67 67 15990 1 . VAL 68 68 15990 1 . ARG 69 69 15990 1 . GLN 70 70 15990 1 . LYS 71 71 15990 1 . VAL 72 72 15990 1 . LEU 73 73 15990 1 . ARG 74 74 15990 1 . LEU 75 75 15990 1 . GLU 76 76 15990 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 15990 _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 $RNAP . 63363 organism . 'Aquifex aeolicus' 'Aquifex aeolicus' . . Bacteria . Aquifex aeolicus . . . . . . . . . . . . . . . . . . . . . 15990 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 15990 _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 $RNAP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET21b3-2 . . . . . . 15990 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15990 _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 RNAP '[U-100% 13C; U-100% 15N]' . . 1 $RNAP . . 1-1.5 . . mM . . . . 15990 1 2 RNAP '[U-100% 15N]' . . 1 $RNAP . . 1-1.5 . . mM . . . . 15990 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15990 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15990 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 15990 _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' 0.1 . M 15990 1 pH 7 . pH 15990 1 pressure 1 . atm 15990 1 temperature 303 . K 15990 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15990 _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 . . 15990 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15990 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15990 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15990 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15990 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15990 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15990 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15990 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 15990 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 800 . . . 15990 1 2 spectrometer_2 Bruker DRX . 900 . . . 15990 1 3 spectrometer_3 Bruker DRX . 600 . . . 15990 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 15990 _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 . . . . . . . . . . . . . . . . . . . . . 15990 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15990 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15990 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15990 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15990 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15990 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15990 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15990 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15990 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15990 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15990 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 15990 _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 0.00 . indirect 0.251449530 . . . . . . . . . 15990 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15990 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15990 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 15990 _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 3 '3D HNCACB' . . . 15990 1 10 '3D HCCH-TOCSY' . . . 15990 1 11 '3D 1H-13C NOESY' . . . 15990 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 LYS HA H 1 4.356 0.020 . 1 . . . . 1 LYS HA . 15990 1 2 . 1 1 1 1 LYS HB2 H 1 1.879 0.020 . 2 . . . . 1 LYS HB2 . 15990 1 3 . 1 1 1 1 LYS HB3 H 1 1.801 0.020 . 2 . . . . 1 LYS HB3 . 15990 1 4 . 1 1 1 1 LYS HD2 H 1 1.715 0.020 . 2 . . . . 1 LYS HD2 . 15990 1 5 . 1 1 1 1 LYS HD3 H 1 1.715 0.020 . 2 . . . . 1 LYS HD3 . 15990 1 6 . 1 1 1 1 LYS HE2 H 1 3.031 0.020 . 2 . . . . 1 LYS HE2 . 15990 1 7 . 1 1 1 1 LYS HE3 H 1 3.031 0.020 . 2 . . . . 1 LYS HE3 . 15990 1 8 . 1 1 1 1 LYS HG2 H 1 1.469 0.020 . 2 . . . . 1 LYS HG2 . 15990 1 9 . 1 1 1 1 LYS HG3 H 1 1.469 0.020 . 2 . . . . 1 LYS HG3 . 15990 1 10 . 1 1 1 1 LYS CB C 13 33.634 0.400 . 1 . . . . 1 LYS CB . 15990 1 11 . 1 1 1 1 LYS CD C 13 29.610 0.400 . 1 . . . . 1 LYS CD . 15990 1 12 . 1 1 1 1 LYS CE C 13 42.410 0.400 . 1 . . . . 1 LYS CE . 15990 1 13 . 1 1 1 1 LYS CG C 13 25.438 0.400 . 1 . . . . 1 LYS CG . 15990 1 14 . 1 1 2 2 GLU H H 1 8.736 0.020 . 1 . . . . 2 GLU H . 15990 1 15 . 1 1 2 2 GLU HA H 1 4.388 0.020 . 1 . . . . 2 GLU HA . 15990 1 16 . 1 1 2 2 GLU HB2 H 1 2.100 0.020 . 2 . . . . 2 GLU HB2 . 15990 1 17 . 1 1 2 2 GLU HB3 H 1 1.982 0.020 . 2 . . . . 2 GLU HB3 . 15990 1 18 . 1 1 2 2 GLU HG2 H 1 2.309 0.020 . 2 . . . . 2 GLU HG2 . 15990 1 19 . 1 1 2 2 GLU HG3 H 1 2.309 0.020 . 2 . . . . 2 GLU HG3 . 15990 1 20 . 1 1 2 2 GLU CA C 13 57.319 0.400 . 1 . . . . 2 GLU CA . 15990 1 21 . 1 1 2 2 GLU CB C 13 30.589 0.400 . 1 . . . . 2 GLU CB . 15990 1 22 . 1 1 2 2 GLU CG C 13 36.850 0.400 . 1 . . . . 2 GLU CG . 15990 1 23 . 1 1 2 2 GLU N N 15 122.125 0.400 . 1 . . . . 2 GLU N . 15990 1 24 . 1 1 3 3 THR H H 1 8.251 0.020 . 1 . . . . 3 THR H . 15990 1 25 . 1 1 3 3 THR HA H 1 4.362 0.020 . 1 . . . . 3 THR HA . 15990 1 26 . 1 1 3 3 THR HB H 1 4.181 0.020 . 1 . . . . 3 THR HB . 15990 1 27 . 1 1 3 3 THR HG21 H 1 1.210 0.020 . 1 . . . . 3 THR HG2 . 15990 1 28 . 1 1 3 3 THR HG22 H 1 1.210 0.020 . 1 . . . . 3 THR HG2 . 15990 1 29 . 1 1 3 3 THR HG23 H 1 1.210 0.020 . 1 . . . . 3 THR HG2 . 15990 1 30 . 1 1 3 3 THR CA C 13 62.452 0.400 . 1 . . . . 3 THR CA . 15990 1 31 . 1 1 3 3 THR CB C 13 70.334 0.400 . 1 . . . . 3 THR CB . 15990 1 32 . 1 1 3 3 THR CG2 C 13 22.282 0.400 . 1 . . . . 3 THR CG2 . 15990 1 33 . 1 1 3 3 THR N N 15 116.325 0.400 . 1 . . . . 3 THR N . 15990 1 34 . 1 1 4 4 VAL H H 1 8.180 0.020 . 1 . . . . 4 VAL H . 15990 1 35 . 1 1 4 4 VAL HA H 1 4.465 0.020 . 1 . . . . 4 VAL HA . 15990 1 36 . 1 1 4 4 VAL HB H 1 2.078 0.020 . 1 . . . . 4 VAL HB . 15990 1 37 . 1 1 4 4 VAL HG11 H 1 0.966 0.020 . 2 . . . . 4 VAL HG1 . 15990 1 38 . 1 1 4 4 VAL HG12 H 1 0.966 0.020 . 2 . . . . 4 VAL HG1 . 15990 1 39 . 1 1 4 4 VAL HG13 H 1 0.966 0.020 . 2 . . . . 4 VAL HG1 . 15990 1 40 . 1 1 4 4 VAL HG21 H 1 0.942 0.020 . 2 . . . . 4 VAL HG2 . 15990 1 41 . 1 1 4 4 VAL HG22 H 1 0.942 0.020 . 2 . . . . 4 VAL HG2 . 15990 1 42 . 1 1 4 4 VAL HG23 H 1 0.942 0.020 . 2 . . . . 4 VAL HG2 . 15990 1 43 . 1 1 4 4 VAL CA C 13 60.334 0.400 . 1 . . . . 4 VAL CA . 15990 1 44 . 1 1 4 4 VAL CB C 13 33.415 0.400 . 1 . . . . 4 VAL CB . 15990 1 45 . 1 1 4 4 VAL CG1 C 13 21.801 0.400 . 1 . . . . 4 VAL CG1 . 15990 1 46 . 1 1 4 4 VAL CG2 C 13 21.002 0.400 . 1 . . . . 4 VAL CG2 . 15990 1 47 . 1 1 4 4 VAL N N 15 124.150 0.400 . 1 . . . . 4 VAL N . 15990 1 48 . 1 1 5 5 PRO HA H 1 4.408 0.020 . 1 . . . . 5 PRO HA . 15990 1 49 . 1 1 5 5 PRO HB2 H 1 2.229 0.020 . 2 . . . . 5 PRO HB2 . 15990 1 50 . 1 1 5 5 PRO HB3 H 1 1.852 0.020 . 2 . . . . 5 PRO HB3 . 15990 1 51 . 1 1 5 5 PRO HD2 H 1 3.854 0.020 . 2 . . . . 5 PRO HD2 . 15990 1 52 . 1 1 5 5 PRO HD3 H 1 3.687 0.020 . 2 . . . . 5 PRO HD3 . 15990 1 53 . 1 1 5 5 PRO HG2 H 1 1.983 0.020 . 2 . . . . 5 PRO HG2 . 15990 1 54 . 1 1 5 5 PRO HG3 H 1 1.983 0.020 . 2 . . . . 5 PRO HG3 . 15990 1 55 . 1 1 5 5 PRO CA C 13 63.900 0.400 . 1 . . . . 5 PRO CA . 15990 1 56 . 1 1 5 5 PRO CB C 13 32.584 0.400 . 1 . . . . 5 PRO CB . 15990 1 57 . 1 1 5 5 PRO CD C 13 51.629 0.400 . 1 . . . . 5 PRO CD . 15990 1 58 . 1 1 5 5 PRO CG C 13 27.929 0.400 . 1 . . . . 5 PRO CG . 15990 1 59 . 1 1 6 6 TYR H H 1 8.029 0.020 . 1 . . . . 6 TYR H . 15990 1 60 . 1 1 6 6 TYR HA H 1 4.535 0.020 . 1 . . . . 6 TYR HA . 15990 1 61 . 1 1 6 6 TYR HB2 H 1 3.049 0.020 . 2 . . . . 6 TYR HB2 . 15990 1 62 . 1 1 6 6 TYR HB3 H 1 2.995 0.020 . 2 . . . . 6 TYR HB3 . 15990 1 63 . 1 1 6 6 TYR HD1 H 1 7.114 0.020 . 1 . . . . 6 TYR HD1 . 15990 1 64 . 1 1 6 6 TYR HD2 H 1 7.114 0.020 . 1 . . . . 6 TYR HD2 . 15990 1 65 . 1 1 6 6 TYR CA C 13 58.383 0.400 . 1 . . . . 6 TYR CA . 15990 1 66 . 1 1 6 6 TYR CB C 13 39.384 0.400 . 1 . . . . 6 TYR CB . 15990 1 67 . 1 1 6 6 TYR N N 15 119.997 0.400 . 1 . . . . 6 TYR N . 15990 1 68 . 1 1 7 7 GLN H H 1 8.052 0.020 . 1 . . . . 7 GLN H . 15990 1 69 . 1 1 7 7 GLN HA H 1 4.348 0.020 . 1 . . . . 7 GLN HA . 15990 1 70 . 1 1 7 7 GLN HB2 H 1 1.963 0.020 . 2 . . . . 7 GLN HB2 . 15990 1 71 . 1 1 7 7 GLN HB3 H 1 1.846 0.020 . 2 . . . . 7 GLN HB3 . 15990 1 72 . 1 1 7 7 GLN HE21 H 1 7.482 0.020 . 2 . . . . 7 GLN HE21 . 15990 1 73 . 1 1 7 7 GLN HE22 H 1 6.781 0.020 . 2 . . . . 7 GLN HE22 . 15990 1 74 . 1 1 7 7 GLN HG2 H 1 2.184 0.020 . 2 . . . . 7 GLN HG2 . 15990 1 75 . 1 1 7 7 GLN HG3 H 1 2.184 0.020 . 2 . . . . 7 GLN HG3 . 15990 1 76 . 1 1 7 7 GLN CA C 13 55.573 0.400 . 1 . . . . 7 GLN CA . 15990 1 77 . 1 1 7 7 GLN CB C 13 30.653 0.400 . 1 . . . . 7 GLN CB . 15990 1 78 . 1 1 7 7 GLN CG C 13 34.251 0.400 . 1 . . . . 7 GLN CG . 15990 1 79 . 1 1 7 7 GLN N N 15 122.788 0.400 . 1 . . . . 7 GLN N . 15990 1 80 . 1 1 7 7 GLN NE2 N 15 112.199 0.400 . 1 . . . . 7 GLN NE2 . 15990 1 81 . 1 1 8 8 ILE H H 1 8.141 0.020 . 1 . . . . 8 ILE H . 15990 1 82 . 1 1 8 8 ILE HA H 1 4.371 0.020 . 1 . . . . 8 ILE HA . 15990 1 83 . 1 1 8 8 ILE HB H 1 1.839 0.020 . 1 . . . . 8 ILE HB . 15990 1 84 . 1 1 8 8 ILE HD11 H 1 0.911 0.020 . 1 . . . . 8 ILE HD1 . 15990 1 85 . 1 1 8 8 ILE HD12 H 1 0.911 0.020 . 1 . . . . 8 ILE HD1 . 15990 1 86 . 1 1 8 8 ILE HD13 H 1 0.911 0.020 . 1 . . . . 8 ILE HD1 . 15990 1 87 . 1 1 8 8 ILE HG12 H 1 1.530 0.020 . 2 . . . . 8 ILE HG12 . 15990 1 88 . 1 1 8 8 ILE HG13 H 1 1.181 0.020 . 2 . . . . 8 ILE HG13 . 15990 1 89 . 1 1 8 8 ILE HG21 H 1 0.948 0.020 . 1 . . . . 8 ILE HG2 . 15990 1 90 . 1 1 8 8 ILE HG22 H 1 0.948 0.020 . 1 . . . . 8 ILE HG2 . 15990 1 91 . 1 1 8 8 ILE HG23 H 1 0.948 0.020 . 1 . . . . 8 ILE HG2 . 15990 1 92 . 1 1 8 8 ILE CA C 13 59.275 0.400 . 1 . . . . 8 ILE CA . 15990 1 93 . 1 1 8 8 ILE CB C 13 39.359 0.400 . 1 . . . . 8 ILE CB . 15990 1 94 . 1 1 8 8 ILE CD1 C 13 13.724 0.400 . 1 . . . . 8 ILE CD1 . 15990 1 95 . 1 1 8 8 ILE CG1 C 13 27.775 0.400 . 1 . . . . 8 ILE CG1 . 15990 1 96 . 1 1 8 8 ILE CG2 C 13 17.975 0.400 . 1 . . . . 8 ILE CG2 . 15990 1 97 . 1 1 8 8 ILE N N 15 123.929 0.400 . 1 . . . . 8 ILE N . 15990 1 98 . 1 1 9 9 PRO HA H 1 4.707 0.020 . 1 . . . . 9 PRO HA . 15990 1 99 . 1 1 9 9 PRO HB2 H 1 2.254 0.020 . 2 . . . . 9 PRO HB2 . 15990 1 100 . 1 1 9 9 PRO HB3 H 1 2.058 0.020 . 2 . . . . 9 PRO HB3 . 15990 1 101 . 1 1 9 9 PRO HD2 H 1 3.509 0.020 . 2 . . . . 9 PRO HD2 . 15990 1 102 . 1 1 9 9 PRO HD3 H 1 3.509 0.020 . 2 . . . . 9 PRO HD3 . 15990 1 103 . 1 1 9 9 PRO HG2 H 1 1.908 0.020 . 2 . . . . 9 PRO HG2 . 15990 1 104 . 1 1 9 9 PRO HG3 H 1 1.704 0.020 . 2 . . . . 9 PRO HG3 . 15990 1 105 . 1 1 9 9 PRO CA C 13 63.409 0.400 . 1 . . . . 9 PRO CA . 15990 1 106 . 1 1 9 9 PRO CB C 13 34.699 0.400 . 1 . . . . 9 PRO CB . 15990 1 107 . 1 1 9 9 PRO CD C 13 50.653 0.400 . 1 . . . . 9 PRO CD . 15990 1 108 . 1 1 9 9 PRO CG C 13 25.354 0.400 . 1 . . . . 9 PRO CG . 15990 1 109 . 1 1 10 10 TYR HA H 1 4.876 0.020 . 1 . . . . 10 TYR HA . 15990 1 110 . 1 1 10 10 TYR HB2 H 1 3.106 0.020 . 2 . . . . 10 TYR HB2 . 15990 1 111 . 1 1 10 10 TYR HB3 H 1 2.902 0.020 . 2 . . . . 10 TYR HB3 . 15990 1 112 . 1 1 10 10 TYR CA C 13 52.973 0.400 . 1 . . . . 10 TYR CA . 15990 1 113 . 1 1 10 10 TYR CB C 13 39.784 0.400 . 1 . . . . 10 TYR CB . 15990 1 114 . 1 1 11 11 THR HA H 1 4.690 0.020 . 1 . . . . 11 THR HA . 15990 1 115 . 1 1 11 11 THR HB H 1 4.611 0.020 . 1 . . . . 11 THR HB . 15990 1 116 . 1 1 11 11 THR HG21 H 1 1.353 0.020 . 1 . . . . 11 THR HG2 . 15990 1 117 . 1 1 11 11 THR HG22 H 1 1.353 0.020 . 1 . . . . 11 THR HG2 . 15990 1 118 . 1 1 11 11 THR HG23 H 1 1.353 0.020 . 1 . . . . 11 THR HG2 . 15990 1 119 . 1 1 11 11 THR CA C 13 60.542 0.400 . 1 . . . . 11 THR CA . 15990 1 120 . 1 1 11 11 THR CB C 13 69.239 0.400 . 1 . . . . 11 THR CB . 15990 1 121 . 1 1 11 11 THR CG2 C 13 22.360 0.400 . 1 . . . . 11 THR CG2 . 15990 1 122 . 1 1 12 12 PRO HA H 1 4.306 0.020 . 1 . . . . 12 PRO HA . 15990 1 123 . 1 1 12 12 PRO HB2 H 1 2.452 0.020 . 2 . . . . 12 PRO HB2 . 15990 1 124 . 1 1 12 12 PRO HB3 H 1 2.025 0.020 . 2 . . . . 12 PRO HB3 . 15990 1 125 . 1 1 12 12 PRO HD2 H 1 3.926 0.020 . 2 . . . . 12 PRO HD2 . 15990 1 126 . 1 1 12 12 PRO HD3 H 1 3.926 0.020 . 2 . . . . 12 PRO HD3 . 15990 1 127 . 1 1 12 12 PRO HG2 H 1 2.238 0.020 . 2 . . . . 12 PRO HG2 . 15990 1 128 . 1 1 12 12 PRO HG3 H 1 2.081 0.020 . 2 . . . . 12 PRO HG3 . 15990 1 129 . 1 1 12 12 PRO CA C 13 66.412 0.400 . 1 . . . . 12 PRO CA . 15990 1 130 . 1 1 12 12 PRO CB C 13 32.541 0.400 . 1 . . . . 12 PRO CB . 15990 1 131 . 1 1 12 12 PRO CD C 13 51.105 0.400 . 1 . . . . 12 PRO CD . 15990 1 132 . 1 1 12 12 PRO CG C 13 28.678 0.400 . 1 . . . . 12 PRO CG . 15990 1 133 . 1 1 13 13 SER H H 1 8.323 0.020 . 1 . . . . 13 SER H . 15990 1 134 . 1 1 13 13 SER HA H 1 4.338 0.020 . 1 . . . . 13 SER HA . 15990 1 135 . 1 1 13 13 SER HB2 H 1 3.938 0.020 . 2 . . . . 13 SER HB2 . 15990 1 136 . 1 1 13 13 SER HB3 H 1 3.938 0.020 . 2 . . . . 13 SER HB3 . 15990 1 137 . 1 1 13 13 SER CA C 13 61.595 0.400 . 1 . . . . 13 SER CA . 15990 1 138 . 1 1 13 13 SER CB C 13 63.518 0.400 . 1 . . . . 13 SER CB . 15990 1 139 . 1 1 13 13 SER N N 15 113.117 0.400 . 1 . . . . 13 SER N . 15990 1 140 . 1 1 14 14 GLU H H 1 7.977 0.020 . 1 . . . . 14 GLU H . 15990 1 141 . 1 1 14 14 GLU HA H 1 4.186 0.020 . 1 . . . . 14 GLU HA . 15990 1 142 . 1 1 14 14 GLU HB2 H 1 2.434 0.020 . 2 . . . . 14 GLU HB2 . 15990 1 143 . 1 1 14 14 GLU HB3 H 1 2.099 0.020 . 2 . . . . 14 GLU HB3 . 15990 1 144 . 1 1 14 14 GLU HG2 H 1 2.410 0.020 . 2 . . . . 14 GLU HG2 . 15990 1 145 . 1 1 14 14 GLU HG3 H 1 2.358 0.020 . 2 . . . . 14 GLU HG3 . 15990 1 146 . 1 1 14 14 GLU CA C 13 59.400 0.400 . 1 . . . . 14 GLU CA . 15990 1 147 . 1 1 14 14 GLU CB C 13 30.761 0.400 . 1 . . . . 14 GLU CB . 15990 1 148 . 1 1 14 14 GLU CG C 13 37.970 0.400 . 1 . . . . 14 GLU CG . 15990 1 149 . 1 1 14 14 GLU N N 15 123.532 0.400 . 1 . . . . 14 GLU N . 15990 1 150 . 1 1 15 15 LEU H H 1 8.338 0.020 . 1 . . . . 15 LEU H . 15990 1 151 . 1 1 15 15 LEU HA H 1 3.993 0.020 . 1 . . . . 15 LEU HA . 15990 1 152 . 1 1 15 15 LEU HB2 H 1 1.771 0.020 . 2 . . . . 15 LEU HB2 . 15990 1 153 . 1 1 15 15 LEU HB3 H 1 1.644 0.020 . 2 . . . . 15 LEU HB3 . 15990 1 154 . 1 1 15 15 LEU HD11 H 1 0.883 0.020 . 2 . . . . 15 LEU HD1 . 15990 1 155 . 1 1 15 15 LEU HD12 H 1 0.883 0.020 . 2 . . . . 15 LEU HD1 . 15990 1 156 . 1 1 15 15 LEU HD13 H 1 0.883 0.020 . 2 . . . . 15 LEU HD1 . 15990 1 157 . 1 1 15 15 LEU HD21 H 1 0.817 0.020 . 2 . . . . 15 LEU HD2 . 15990 1 158 . 1 1 15 15 LEU HD22 H 1 0.817 0.020 . 2 . . . . 15 LEU HD2 . 15990 1 159 . 1 1 15 15 LEU HD23 H 1 0.817 0.020 . 2 . . . . 15 LEU HD2 . 15990 1 160 . 1 1 15 15 LEU HG H 1 1.622 0.020 . 1 . . . . 15 LEU HG . 15990 1 161 . 1 1 15 15 LEU CA C 13 58.461 0.400 . 1 . . . . 15 LEU CA . 15990 1 162 . 1 1 15 15 LEU CB C 13 42.414 0.400 . 1 . . . . 15 LEU CB . 15990 1 163 . 1 1 15 15 LEU CD1 C 13 25.450 0.400 . 1 . . . . 15 LEU CD1 . 15990 1 164 . 1 1 15 15 LEU CD2 C 13 24.807 0.400 . 1 . . . . 15 LEU CD2 . 15990 1 165 . 1 1 15 15 LEU CG C 13 27.740 0.400 . 1 . . . . 15 LEU CG . 15990 1 166 . 1 1 15 15 LEU N N 15 121.041 0.400 . 1 . . . . 15 LEU N . 15990 1 167 . 1 1 16 16 GLU H H 1 8.030 0.020 . 1 . . . . 16 GLU H . 15990 1 168 . 1 1 16 16 GLU HA H 1 4.079 0.020 . 1 . . . . 16 GLU HA . 15990 1 169 . 1 1 16 16 GLU HB2 H 1 2.125 0.020 . 2 . . . . 16 GLU HB2 . 15990 1 170 . 1 1 16 16 GLU HB3 H 1 2.125 0.020 . 2 . . . . 16 GLU HB3 . 15990 1 171 . 1 1 16 16 GLU HG2 H 1 2.395 0.020 . 2 . . . . 16 GLU HG2 . 15990 1 172 . 1 1 16 16 GLU HG3 H 1 2.279 0.020 . 2 . . . . 16 GLU HG3 . 15990 1 173 . 1 1 16 16 GLU CA C 13 60.000 0.400 . 1 . . . . 16 GLU CA . 15990 1 174 . 1 1 16 16 GLU CB C 13 30.019 0.400 . 1 . . . . 16 GLU CB . 15990 1 175 . 1 1 16 16 GLU CG C 13 37.090 0.400 . 1 . . . . 16 GLU CG . 15990 1 176 . 1 1 16 16 GLU N N 15 119.769 0.400 . 1 . . . . 16 GLU N . 15990 1 177 . 1 1 17 17 GLU H H 1 7.814 0.020 . 1 . . . . 17 GLU H . 15990 1 178 . 1 1 17 17 GLU HA H 1 4.063 0.020 . 1 . . . . 17 GLU HA . 15990 1 179 . 1 1 17 17 GLU HB2 H 1 2.170 0.020 . 2 . . . . 17 GLU HB2 . 15990 1 180 . 1 1 17 17 GLU HB3 H 1 2.126 0.020 . 2 . . . . 17 GLU HB3 . 15990 1 181 . 1 1 17 17 GLU HG2 H 1 2.377 0.020 . 2 . . . . 17 GLU HG2 . 15990 1 182 . 1 1 17 17 GLU HG3 H 1 2.273 0.020 . 2 . . . . 17 GLU HG3 . 15990 1 183 . 1 1 17 17 GLU CA C 13 59.820 0.400 . 1 . . . . 17 GLU CA . 15990 1 184 . 1 1 17 17 GLU CB C 13 30.099 0.400 . 1 . . . . 17 GLU CB . 15990 1 185 . 1 1 17 17 GLU CG C 13 37.101 0.400 . 1 . . . . 17 GLU CG . 15990 1 186 . 1 1 17 17 GLU N N 15 120.078 0.400 . 1 . . . . 17 GLU N . 15990 1 187 . 1 1 18 18 LEU H H 1 7.997 0.020 . 1 . . . . 18 LEU H . 15990 1 188 . 1 1 18 18 LEU HA H 1 4.206 0.020 . 1 . . . . 18 LEU HA . 15990 1 189 . 1 1 18 18 LEU HB2 H 1 1.761 0.020 . 2 . . . . 18 LEU HB2 . 15990 1 190 . 1 1 18 18 LEU HB3 H 1 1.652 0.020 . 2 . . . . 18 LEU HB3 . 15990 1 191 . 1 1 18 18 LEU HD11 H 1 0.810 0.020 . 2 . . . . 18 LEU HD1 . 15990 1 192 . 1 1 18 18 LEU HD12 H 1 0.810 0.020 . 2 . . . . 18 LEU HD1 . 15990 1 193 . 1 1 18 18 LEU HD13 H 1 0.810 0.020 . 2 . . . . 18 LEU HD1 . 15990 1 194 . 1 1 18 18 LEU HD21 H 1 0.866 0.020 . 2 . . . . 18 LEU HD2 . 15990 1 195 . 1 1 18 18 LEU HD22 H 1 0.866 0.020 . 2 . . . . 18 LEU HD2 . 15990 1 196 . 1 1 18 18 LEU HD23 H 1 0.866 0.020 . 2 . . . . 18 LEU HD2 . 15990 1 197 . 1 1 18 18 LEU HG H 1 1.644 0.020 . 1 . . . . 18 LEU HG . 15990 1 198 . 1 1 18 18 LEU CA C 13 58.748 0.400 . 1 . . . . 18 LEU CA . 15990 1 199 . 1 1 18 18 LEU CB C 13 42.727 0.400 . 1 . . . . 18 LEU CB . 15990 1 200 . 1 1 18 18 LEU CD1 C 13 25.826 0.400 . 1 . . . . 18 LEU CD1 . 15990 1 201 . 1 1 18 18 LEU CD2 C 13 21.593 0.400 . 1 . . . . 18 LEU CD2 . 15990 1 202 . 1 1 18 18 LEU CG C 13 27.788 0.400 . 1 . . . . 18 LEU CG . 15990 1 203 . 1 1 18 18 LEU N N 15 120.910 0.400 . 1 . . . . 18 LEU N . 15990 1 204 . 1 1 19 19 GLN H H 1 8.369 0.020 . 1 . . . . 19 GLN H . 15990 1 205 . 1 1 19 19 GLN HA H 1 3.733 0.020 . 1 . . . . 19 GLN HA . 15990 1 206 . 1 1 19 19 GLN HB2 H 1 2.292 0.020 . 2 . . . . 19 GLN HB2 . 15990 1 207 . 1 1 19 19 GLN HB3 H 1 2.041 0.020 . 2 . . . . 19 GLN HB3 . 15990 1 208 . 1 1 19 19 GLN HE21 H 1 7.077 0.020 . 2 . . . . 19 GLN HE21 . 15990 1 209 . 1 1 19 19 GLN HE22 H 1 6.863 0.020 . 2 . . . . 19 GLN HE22 . 15990 1 210 . 1 1 19 19 GLN HG2 H 1 2.488 0.020 . 2 . . . . 19 GLN HG2 . 15990 1 211 . 1 1 19 19 GLN HG3 H 1 2.149 0.020 . 2 . . . . 19 GLN HG3 . 15990 1 212 . 1 1 19 19 GLN CA C 13 60.479 0.400 . 1 . . . . 19 GLN CA . 15990 1 213 . 1 1 19 19 GLN CB C 13 29.040 0.400 . 1 . . . . 19 GLN CB . 15990 1 214 . 1 1 19 19 GLN CG C 13 35.346 0.400 . 1 . . . . 19 GLN CG . 15990 1 215 . 1 1 19 19 GLN N N 15 117.568 0.400 . 1 . . . . 19 GLN N . 15990 1 216 . 1 1 19 19 GLN NE2 N 15 110.172 0.400 . 1 . . . . 19 GLN NE2 . 15990 1 217 . 1 1 20 20 GLN H H 1 7.897 0.020 . 1 . . . . 20 GLN H . 15990 1 218 . 1 1 20 20 GLN HA H 1 4.056 0.020 . 1 . . . . 20 GLN HA . 15990 1 219 . 1 1 20 20 GLN HB2 H 1 2.259 0.020 . 2 . . . . 20 GLN HB2 . 15990 1 220 . 1 1 20 20 GLN HB3 H 1 2.191 0.020 . 2 . . . . 20 GLN HB3 . 15990 1 221 . 1 1 20 20 GLN HE21 H 1 7.663 0.020 . 2 . . . . 20 GLN HE21 . 15990 1 222 . 1 1 20 20 GLN HE22 H 1 7.087 0.020 . 2 . . . . 20 GLN HE22 . 15990 1 223 . 1 1 20 20 GLN HG2 H 1 2.500 0.020 . 2 . . . . 20 GLN HG2 . 15990 1 224 . 1 1 20 20 GLN HG3 H 1 2.500 0.020 . 2 . . . . 20 GLN HG3 . 15990 1 225 . 1 1 20 20 GLN CA C 13 59.314 0.400 . 1 . . . . 20 GLN CA . 15990 1 226 . 1 1 20 20 GLN CB C 13 28.832 0.400 . 1 . . . . 20 GLN CB . 15990 1 227 . 1 1 20 20 GLN CG C 13 34.410 0.400 . 1 . . . . 20 GLN CG . 15990 1 228 . 1 1 20 20 GLN N N 15 117.441 0.400 . 1 . . . . 20 GLN N . 15990 1 229 . 1 1 20 20 GLN NE2 N 15 113.116 0.400 . 1 . . . . 20 GLN NE2 . 15990 1 230 . 1 1 21 21 ASN H H 1 8.264 0.020 . 1 . . . . 21 ASN H . 15990 1 231 . 1 1 21 21 ASN HA H 1 4.595 0.020 . 1 . . . . 21 ASN HA . 15990 1 232 . 1 1 21 21 ASN HB2 H 1 2.977 0.020 . 2 . . . . 21 ASN HB2 . 15990 1 233 . 1 1 21 21 ASN HB3 H 1 2.858 0.020 . 2 . . . . 21 ASN HB3 . 15990 1 234 . 1 1 21 21 ASN HD21 H 1 7.559 0.020 . 2 . . . . 21 ASN HD21 . 15990 1 235 . 1 1 21 21 ASN HD22 H 1 7.058 0.020 . 2 . . . . 21 ASN HD22 . 15990 1 236 . 1 1 21 21 ASN CA C 13 56.907 0.400 . 1 . . . . 21 ASN CA . 15990 1 237 . 1 1 21 21 ASN CB C 13 38.905 0.400 . 1 . . . . 21 ASN CB . 15990 1 238 . 1 1 21 21 ASN N N 15 118.962 0.400 . 1 . . . . 21 ASN N . 15990 1 239 . 1 1 21 21 ASN ND2 N 15 112.178 0.400 . 1 . . . . 21 ASN ND2 . 15990 1 240 . 1 1 22 22 ILE H H 1 8.597 0.020 . 1 . . . . 22 ILE H . 15990 1 241 . 1 1 22 22 ILE HA H 1 3.568 0.020 . 1 . . . . 22 ILE HA . 15990 1 242 . 1 1 22 22 ILE HB H 1 2.054 0.020 . 1 . . . . 22 ILE HB . 15990 1 243 . 1 1 22 22 ILE HD11 H 1 0.787 0.020 . 1 . . . . 22 ILE HD1 . 15990 1 244 . 1 1 22 22 ILE HD12 H 1 0.787 0.020 . 1 . . . . 22 ILE HD1 . 15990 1 245 . 1 1 22 22 ILE HD13 H 1 0.787 0.020 . 1 . . . . 22 ILE HD1 . 15990 1 246 . 1 1 22 22 ILE HG12 H 1 1.878 0.020 . 2 . . . . 22 ILE HG12 . 15990 1 247 . 1 1 22 22 ILE HG13 H 1 0.911 0.020 . 2 . . . . 22 ILE HG13 . 15990 1 248 . 1 1 22 22 ILE HG21 H 1 0.894 0.020 . 1 . . . . 22 ILE HG2 . 15990 1 249 . 1 1 22 22 ILE HG22 H 1 0.894 0.020 . 1 . . . . 22 ILE HG2 . 15990 1 250 . 1 1 22 22 ILE HG23 H 1 0.894 0.020 . 1 . . . . 22 ILE HG2 . 15990 1 251 . 1 1 22 22 ILE CA C 13 66.384 0.400 . 1 . . . . 22 ILE CA . 15990 1 252 . 1 1 22 22 ILE CB C 13 38.920 0.400 . 1 . . . . 22 ILE CB . 15990 1 253 . 1 1 22 22 ILE CD1 C 13 15.688 0.400 . 1 . . . . 22 ILE CD1 . 15990 1 254 . 1 1 22 22 ILE CG1 C 13 30.779 0.400 . 1 . . . . 22 ILE CG1 . 15990 1 255 . 1 1 22 22 ILE CG2 C 13 19.962 0.400 . 1 . . . . 22 ILE CG2 . 15990 1 256 . 1 1 22 22 ILE N N 15 121.666 0.400 . 1 . . . . 22 ILE N . 15990 1 257 . 1 1 23 23 LYS H H 1 7.680 0.020 . 1 . . . . 23 LYS H . 15990 1 258 . 1 1 23 23 LYS HA H 1 4.040 0.020 . 1 . . . . 23 LYS HA . 15990 1 259 . 1 1 23 23 LYS HB2 H 1 1.904 0.020 . 2 . . . . 23 LYS HB2 . 15990 1 260 . 1 1 23 23 LYS HB3 H 1 1.904 0.020 . 2 . . . . 23 LYS HB3 . 15990 1 261 . 1 1 23 23 LYS HD2 H 1 1.676 0.020 . 2 . . . . 23 LYS HD2 . 15990 1 262 . 1 1 23 23 LYS HD3 H 1 1.676 0.020 . 2 . . . . 23 LYS HD3 . 15990 1 263 . 1 1 23 23 LYS HE2 H 1 2.905 0.020 . 2 . . . . 23 LYS HE2 . 15990 1 264 . 1 1 23 23 LYS HE3 H 1 2.905 0.020 . 2 . . . . 23 LYS HE3 . 15990 1 265 . 1 1 23 23 LYS HG2 H 1 1.728 0.020 . 2 . . . . 23 LYS HG2 . 15990 1 266 . 1 1 23 23 LYS HG3 H 1 1.329 0.020 . 2 . . . . 23 LYS HG3 . 15990 1 267 . 1 1 23 23 LYS CA C 13 59.510 0.400 . 1 . . . . 23 LYS CA . 15990 1 268 . 1 1 23 23 LYS CB C 13 32.892 0.400 . 1 . . . . 23 LYS CB . 15990 1 269 . 1 1 23 23 LYS CD C 13 29.840 0.400 . 1 . . . . 23 LYS CD . 15990 1 270 . 1 1 23 23 LYS CE C 13 42.640 0.400 . 1 . . . . 23 LYS CE . 15990 1 271 . 1 1 23 23 LYS CG C 13 27.286 0.400 . 1 . . . . 23 LYS CG . 15990 1 272 . 1 1 23 23 LYS N N 15 116.920 0.400 . 1 . . . . 23 LYS N . 15990 1 273 . 1 1 24 24 LEU H H 1 7.663 0.020 . 1 . . . . 24 LEU H . 15990 1 274 . 1 1 24 24 LEU HA H 1 4.394 0.020 . 1 . . . . 24 LEU HA . 15990 1 275 . 1 1 24 24 LEU HB2 H 1 1.954 0.020 . 2 . . . . 24 LEU HB2 . 15990 1 276 . 1 1 24 24 LEU HB3 H 1 1.704 0.020 . 2 . . . . 24 LEU HB3 . 15990 1 277 . 1 1 24 24 LEU HD11 H 1 0.978 0.020 . 2 . . . . 24 LEU HD1 . 15990 1 278 . 1 1 24 24 LEU HD12 H 1 0.978 0.020 . 2 . . . . 24 LEU HD1 . 15990 1 279 . 1 1 24 24 LEU HD13 H 1 0.978 0.020 . 2 . . . . 24 LEU HD1 . 15990 1 280 . 1 1 24 24 LEU HD21 H 1 0.943 0.020 . 2 . . . . 24 LEU HD2 . 15990 1 281 . 1 1 24 24 LEU HD22 H 1 0.943 0.020 . 2 . . . . 24 LEU HD2 . 15990 1 282 . 1 1 24 24 LEU HD23 H 1 0.943 0.020 . 2 . . . . 24 LEU HD2 . 15990 1 283 . 1 1 24 24 LEU HG H 1 1.807 0.020 . 1 . . . . 24 LEU HG . 15990 1 284 . 1 1 24 24 LEU CA C 13 57.084 0.400 . 1 . . . . 24 LEU CA . 15990 1 285 . 1 1 24 24 LEU CB C 13 44.008 0.400 . 1 . . . . 24 LEU CB . 15990 1 286 . 1 1 24 24 LEU CD1 C 13 25.459 0.400 . 1 . . . . 24 LEU CD1 . 15990 1 287 . 1 1 24 24 LEU CD2 C 13 23.943 0.400 . 1 . . . . 24 LEU CD2 . 15990 1 288 . 1 1 24 24 LEU CG C 13 27.260 0.400 . 1 . . . . 24 LEU CG . 15990 1 289 . 1 1 24 24 LEU N N 15 117.664 0.400 . 1 . . . . 24 LEU N . 15990 1 290 . 1 1 25 25 GLU H H 1 8.083 0.020 . 1 . . . . 25 GLU H . 15990 1 291 . 1 1 25 25 GLU HA H 1 4.418 0.020 . 1 . . . . 25 GLU HA . 15990 1 292 . 1 1 25 25 GLU HB2 H 1 2.113 0.020 . 2 . . . . 25 GLU HB2 . 15990 1 293 . 1 1 25 25 GLU HB3 H 1 1.929 0.020 . 2 . . . . 25 GLU HB3 . 15990 1 294 . 1 1 25 25 GLU HG2 H 1 2.417 0.020 . 2 . . . . 25 GLU HG2 . 15990 1 295 . 1 1 25 25 GLU HG3 H 1 2.269 0.020 . 2 . . . . 25 GLU HG3 . 15990 1 296 . 1 1 25 25 GLU CA C 13 58.180 0.400 . 1 . . . . 25 GLU CA . 15990 1 297 . 1 1 25 25 GLU CB C 13 32.500 0.400 . 1 . . . . 25 GLU CB . 15990 1 298 . 1 1 25 25 GLU CG C 13 36.903 0.400 . 1 . . . . 25 GLU CG . 15990 1 299 . 1 1 25 25 GLU N N 15 116.230 0.400 . 1 . . . . 25 GLU N . 15990 1 300 . 1 1 26 26 LEU H H 1 8.104 0.020 . 1 . . . . 26 LEU H . 15990 1 301 . 1 1 26 26 LEU HA H 1 4.940 0.020 . 1 . . . . 26 LEU HA . 15990 1 302 . 1 1 26 26 LEU HB2 H 1 1.884 0.020 . 2 . . . . 26 LEU HB2 . 15990 1 303 . 1 1 26 26 LEU HB3 H 1 1.297 0.020 . 2 . . . . 26 LEU HB3 . 15990 1 304 . 1 1 26 26 LEU HD11 H 1 0.850 0.020 . 2 . . . . 26 LEU HD1 . 15990 1 305 . 1 1 26 26 LEU HD12 H 1 0.850 0.020 . 2 . . . . 26 LEU HD1 . 15990 1 306 . 1 1 26 26 LEU HD13 H 1 0.850 0.020 . 2 . . . . 26 LEU HD1 . 15990 1 307 . 1 1 26 26 LEU HD21 H 1 0.942 0.020 . 2 . . . . 26 LEU HD2 . 15990 1 308 . 1 1 26 26 LEU HD22 H 1 0.942 0.020 . 2 . . . . 26 LEU HD2 . 15990 1 309 . 1 1 26 26 LEU HD23 H 1 0.942 0.020 . 2 . . . . 26 LEU HD2 . 15990 1 310 . 1 1 26 26 LEU HG H 1 1.738 0.020 . 1 . . . . 26 LEU HG . 15990 1 311 . 1 1 26 26 LEU CA C 13 54.255 0.400 . 1 . . . . 26 LEU CA . 15990 1 312 . 1 1 26 26 LEU CB C 13 44.156 0.400 . 1 . . . . 26 LEU CB . 15990 1 313 . 1 1 26 26 LEU CD1 C 13 27.263 0.400 . 1 . . . . 26 LEU CD1 . 15990 1 314 . 1 1 26 26 LEU CD2 C 13 24.488 0.400 . 1 . . . . 26 LEU CD2 . 15990 1 315 . 1 1 26 26 LEU CG C 13 28.320 0.400 . 1 . . . . 26 LEU CG . 15990 1 316 . 1 1 26 26 LEU N N 15 118.608 0.400 . 1 . . . . 26 LEU N . 15990 1 317 . 1 1 27 27 GLU H H 1 9.031 0.020 . 1 . . . . 27 GLU H . 15990 1 318 . 1 1 27 27 GLU HA H 1 4.754 0.020 . 1 . . . . 27 GLU HA . 15990 1 319 . 1 1 27 27 GLU HB2 H 1 2.074 0.020 . 2 . . . . 27 GLU HB2 . 15990 1 320 . 1 1 27 27 GLU HB3 H 1 1.979 0.020 . 2 . . . . 27 GLU HB3 . 15990 1 321 . 1 1 27 27 GLU HG2 H 1 2.245 0.020 . 2 . . . . 27 GLU HG2 . 15990 1 322 . 1 1 27 27 GLU HG3 H 1 2.178 0.020 . 2 . . . . 27 GLU HG3 . 15990 1 323 . 1 1 27 27 GLU CA C 13 55.151 0.400 . 1 . . . . 27 GLU CA . 15990 1 324 . 1 1 27 27 GLU CB C 13 34.620 0.400 . 1 . . . . 27 GLU CB . 15990 1 325 . 1 1 27 27 GLU CG C 13 36.658 0.400 . 1 . . . . 27 GLU CG . 15990 1 326 . 1 1 27 27 GLU N N 15 119.403 0.400 . 1 . . . . 27 GLU N . 15990 1 327 . 1 1 28 28 GLY H H 1 8.862 0.020 . 1 . . . . 28 GLY H . 15990 1 328 . 1 1 28 28 GLY HA2 H 1 3.982 0.020 . 2 . . . . 28 GLY HA2 . 15990 1 329 . 1 1 28 28 GLY HA3 H 1 3.842 0.020 . 2 . . . . 28 GLY HA3 . 15990 1 330 . 1 1 28 28 GLY CA C 13 47.145 0.400 . 1 . . . . 28 GLY CA . 15990 1 331 . 1 1 28 28 GLY N N 15 109.474 0.400 . 1 . . . . 28 GLY N . 15990 1 332 . 1 1 29 29 LYS HA H 1 4.144 0.020 . 1 . . . . 29 LYS HA . 15990 1 333 . 1 1 29 29 LYS HB2 H 1 1.940 0.020 . 2 . . . . 29 LYS HB2 . 15990 1 334 . 1 1 29 29 LYS HB3 H 1 1.940 0.020 . 2 . . . . 29 LYS HB3 . 15990 1 335 . 1 1 29 29 LYS HD2 H 1 1.771 0.020 . 2 . . . . 29 LYS HD2 . 15990 1 336 . 1 1 29 29 LYS HD3 H 1 1.771 0.020 . 2 . . . . 29 LYS HD3 . 15990 1 337 . 1 1 29 29 LYS HE2 H 1 3.008 0.020 . 2 . . . . 29 LYS HE2 . 15990 1 338 . 1 1 29 29 LYS HE3 H 1 3.008 0.020 . 2 . . . . 29 LYS HE3 . 15990 1 339 . 1 1 29 29 LYS HG2 H 1 1.571 0.020 . 2 . . . . 29 LYS HG2 . 15990 1 340 . 1 1 29 29 LYS HG3 H 1 1.571 0.020 . 2 . . . . 29 LYS HG3 . 15990 1 341 . 1 1 29 29 LYS CA C 13 58.865 0.400 . 1 . . . . 29 LYS CA . 15990 1 342 . 1 1 29 29 LYS CB C 13 32.544 0.400 . 1 . . . . 29 LYS CB . 15990 1 343 . 1 1 29 29 LYS CD C 13 27.400 0.400 . 1 . . . . 29 LYS CD . 15990 1 344 . 1 1 29 29 LYS CE C 13 42.513 0.400 . 1 . . . . 29 LYS CE . 15990 1 345 . 1 1 29 29 LYS CG C 13 25.154 0.400 . 1 . . . . 29 LYS CG . 15990 1 346 . 1 1 30 30 GLU H H 1 8.212 0.020 . 1 . . . . 30 GLU H . 15990 1 347 . 1 1 30 30 GLU HA H 1 3.947 0.020 . 1 . . . . 30 GLU HA . 15990 1 348 . 1 1 30 30 GLU HB2 H 1 2.323 0.020 . 2 . . . . 30 GLU HB2 . 15990 1 349 . 1 1 30 30 GLU HB3 H 1 2.078 0.020 . 2 . . . . 30 GLU HB3 . 15990 1 350 . 1 1 30 30 GLU HG2 H 1 2.564 0.020 . 2 . . . . 30 GLU HG2 . 15990 1 351 . 1 1 30 30 GLU HG3 H 1 2.246 0.020 . 2 . . . . 30 GLU HG3 . 15990 1 352 . 1 1 30 30 GLU CA C 13 60.964 0.400 . 1 . . . . 30 GLU CA . 15990 1 353 . 1 1 30 30 GLU CB C 13 30.516 0.400 . 1 . . . . 30 GLU CB . 15990 1 354 . 1 1 30 30 GLU CG C 13 38.298 0.400 . 1 . . . . 30 GLU CG . 15990 1 355 . 1 1 30 30 GLU N N 15 117.846 0.400 . 1 . . . . 30 GLU N . 15990 1 356 . 1 1 31 31 GLN H H 1 7.009 0.020 . 1 . . . . 31 GLN H . 15990 1 357 . 1 1 31 31 GLN HA H 1 3.565 0.020 . 1 . . . . 31 GLN HA . 15990 1 358 . 1 1 31 31 GLN HB2 H 1 2.184 0.020 . 2 . . . . 31 GLN HB2 . 15990 1 359 . 1 1 31 31 GLN HB3 H 1 1.535 0.020 . 2 . . . . 31 GLN HB3 . 15990 1 360 . 1 1 31 31 GLN HE21 H 1 7.483 0.020 . 2 . . . . 31 GLN HE21 . 15990 1 361 . 1 1 31 31 GLN HE22 H 1 6.882 0.020 . 2 . . . . 31 GLN HE22 . 15990 1 362 . 1 1 31 31 GLN HG2 H 1 2.249 0.020 . 2 . . . . 31 GLN HG2 . 15990 1 363 . 1 1 31 31 GLN HG3 H 1 1.941 0.020 . 2 . . . . 31 GLN HG3 . 15990 1 364 . 1 1 31 31 GLN CA C 13 59.816 0.400 . 1 . . . . 31 GLN CA . 15990 1 365 . 1 1 31 31 GLN CB C 13 30.189 0.400 . 1 . . . . 31 GLN CB . 15990 1 366 . 1 1 31 31 GLN CG C 13 35.972 0.400 . 1 . . . . 31 GLN CG . 15990 1 367 . 1 1 31 31 GLN N N 15 117.968 0.400 . 1 . . . . 31 GLN N . 15990 1 368 . 1 1 31 31 GLN NE2 N 15 111.790 0.400 . 1 . . . . 31 GLN NE2 . 15990 1 369 . 1 1 32 32 GLU H H 1 7.713 0.020 . 1 . . . . 32 GLU H . 15990 1 370 . 1 1 32 32 GLU HA H 1 3.945 0.020 . 1 . . . . 32 GLU HA . 15990 1 371 . 1 1 32 32 GLU HB2 H 1 2.181 0.020 . 2 . . . . 32 GLU HB2 . 15990 1 372 . 1 1 32 32 GLU HB3 H 1 2.181 0.020 . 2 . . . . 32 GLU HB3 . 15990 1 373 . 1 1 32 32 GLU HG2 H 1 2.421 0.020 . 2 . . . . 32 GLU HG2 . 15990 1 374 . 1 1 32 32 GLU HG3 H 1 2.223 0.020 . 2 . . . . 32 GLU HG3 . 15990 1 375 . 1 1 32 32 GLU CA C 13 60.231 0.400 . 1 . . . . 32 GLU CA . 15990 1 376 . 1 1 32 32 GLU CB C 13 30.483 0.400 . 1 . . . . 32 GLU CB . 15990 1 377 . 1 1 32 32 GLU CG C 13 36.992 0.400 . 1 . . . . 32 GLU CG . 15990 1 378 . 1 1 32 32 GLU N N 15 117.846 0.400 . 1 . . . . 32 GLU N . 15990 1 379 . 1 1 33 33 LEU H H 1 8.428 0.020 . 1 . . . . 33 LEU H . 15990 1 380 . 1 1 33 33 LEU HA H 1 4.143 0.020 . 1 . . . . 33 LEU HA . 15990 1 381 . 1 1 33 33 LEU HB2 H 1 1.904 0.020 . 2 . . . . 33 LEU HB2 . 15990 1 382 . 1 1 33 33 LEU HB3 H 1 1.536 0.020 . 2 . . . . 33 LEU HB3 . 15990 1 383 . 1 1 33 33 LEU HD11 H 1 0.942 0.020 . 2 . . . . 33 LEU HD1 . 15990 1 384 . 1 1 33 33 LEU HD12 H 1 0.942 0.020 . 2 . . . . 33 LEU HD1 . 15990 1 385 . 1 1 33 33 LEU HD13 H 1 0.942 0.020 . 2 . . . . 33 LEU HD1 . 15990 1 386 . 1 1 33 33 LEU HD21 H 1 0.848 0.020 . 2 . . . . 33 LEU HD2 . 15990 1 387 . 1 1 33 33 LEU HD22 H 1 0.848 0.020 . 2 . . . . 33 LEU HD2 . 15990 1 388 . 1 1 33 33 LEU HD23 H 1 0.848 0.020 . 2 . . . . 33 LEU HD2 . 15990 1 389 . 1 1 33 33 LEU HG H 1 1.808 0.020 . 1 . . . . 33 LEU HG . 15990 1 390 . 1 1 33 33 LEU CA C 13 58.389 0.400 . 1 . . . . 33 LEU CA . 15990 1 391 . 1 1 33 33 LEU CB C 13 42.962 0.400 . 1 . . . . 33 LEU CB . 15990 1 392 . 1 1 33 33 LEU CD1 C 13 24.983 0.400 . 1 . . . . 33 LEU CD1 . 15990 1 393 . 1 1 33 33 LEU CG C 13 27.814 0.400 . 1 . . . . 33 LEU CG . 15990 1 394 . 1 1 33 33 LEU N N 15 119.442 0.400 . 1 . . . . 33 LEU N . 15990 1 395 . 1 1 34 34 ALA H H 1 8.164 0.020 . 1 . . . . 34 ALA H . 15990 1 396 . 1 1 34 34 ALA HA H 1 3.775 0.020 . 1 . . . . 34 ALA HA . 15990 1 397 . 1 1 34 34 ALA HB1 H 1 1.394 0.020 . 1 . . . . 34 ALA HB . 15990 1 398 . 1 1 34 34 ALA HB2 H 1 1.394 0.020 . 1 . . . . 34 ALA HB . 15990 1 399 . 1 1 34 34 ALA HB3 H 1 1.394 0.020 . 1 . . . . 34 ALA HB . 15990 1 400 . 1 1 34 34 ALA CA C 13 56.067 0.400 . 1 . . . . 34 ALA CA . 15990 1 401 . 1 1 34 34 ALA CB C 13 20.487 0.400 . 1 . . . . 34 ALA CB . 15990 1 402 . 1 1 34 34 ALA N N 15 120.630 0.400 . 1 . . . . 34 ALA N . 15990 1 403 . 1 1 35 35 LEU H H 1 7.996 0.020 . 1 . . . . 35 LEU H . 15990 1 404 . 1 1 35 35 LEU HA H 1 4.039 0.020 . 1 . . . . 35 LEU HA . 15990 1 405 . 1 1 35 35 LEU HB2 H 1 1.995 0.020 . 2 . . . . 35 LEU HB2 . 15990 1 406 . 1 1 35 35 LEU HB3 H 1 1.480 0.020 . 2 . . . . 35 LEU HB3 . 15990 1 407 . 1 1 35 35 LEU HD11 H 1 0.905 0.020 . 2 . . . . 35 LEU HD1 . 15990 1 408 . 1 1 35 35 LEU HD12 H 1 0.905 0.020 . 2 . . . . 35 LEU HD1 . 15990 1 409 . 1 1 35 35 LEU HD13 H 1 0.905 0.020 . 2 . . . . 35 LEU HD1 . 15990 1 410 . 1 1 35 35 LEU HD21 H 1 0.913 0.020 . 2 . . . . 35 LEU HD2 . 15990 1 411 . 1 1 35 35 LEU HD22 H 1 0.913 0.020 . 2 . . . . 35 LEU HD2 . 15990 1 412 . 1 1 35 35 LEU HD23 H 1 0.913 0.020 . 2 . . . . 35 LEU HD2 . 15990 1 413 . 1 1 35 35 LEU HG H 1 1.974 0.020 . 1 . . . . 35 LEU HG . 15990 1 414 . 1 1 35 35 LEU CA C 13 58.315 0.400 . 1 . . . . 35 LEU CA . 15990 1 415 . 1 1 35 35 LEU CB C 13 41.847 0.400 . 1 . . . . 35 LEU CB . 15990 1 416 . 1 1 35 35 LEU CD1 C 13 26.731 0.400 . 1 . . . . 35 LEU CD1 . 15990 1 417 . 1 1 35 35 LEU CD2 C 13 23.571 0.400 . 1 . . . . 35 LEU CD2 . 15990 1 418 . 1 1 35 35 LEU CG C 13 27.525 0.400 . 1 . . . . 35 LEU CG . 15990 1 419 . 1 1 35 35 LEU N N 15 115.024 0.400 . 1 . . . . 35 LEU N . 15990 1 420 . 1 1 36 36 GLU H H 1 7.861 0.020 . 1 . . . . 36 GLU H . 15990 1 421 . 1 1 36 36 GLU HA H 1 4.223 0.020 . 1 . . . . 36 GLU HA . 15990 1 422 . 1 1 36 36 GLU HB2 H 1 2.196 0.020 . 2 . . . . 36 GLU HB2 . 15990 1 423 . 1 1 36 36 GLU HB3 H 1 2.142 0.020 . 2 . . . . 36 GLU HB3 . 15990 1 424 . 1 1 36 36 GLU HG2 H 1 2.460 0.020 . 2 . . . . 36 GLU HG2 . 15990 1 425 . 1 1 36 36 GLU HG3 H 1 2.460 0.020 . 2 . . . . 36 GLU HG3 . 15990 1 426 . 1 1 36 36 GLU CA C 13 59.418 0.400 . 1 . . . . 36 GLU CA . 15990 1 427 . 1 1 36 36 GLU CB C 13 30.287 0.400 . 1 . . . . 36 GLU CB . 15990 1 428 . 1 1 36 36 GLU CG C 13 36.585 0.400 . 1 . . . . 36 GLU CG . 15990 1 429 . 1 1 36 36 GLU N N 15 119.544 0.400 . 1 . . . . 36 GLU N . 15990 1 430 . 1 1 37 37 LEU H H 1 8.589 0.020 . 1 . . . . 37 LEU H . 15990 1 431 . 1 1 37 37 LEU HA H 1 4.115 0.020 . 1 . . . . 37 LEU HA . 15990 1 432 . 1 1 37 37 LEU HB2 H 1 2.012 0.020 . 2 . . . . 37 LEU HB2 . 15990 1 433 . 1 1 37 37 LEU HB3 H 1 1.715 0.020 . 2 . . . . 37 LEU HB3 . 15990 1 434 . 1 1 37 37 LEU HD11 H 1 0.843 0.020 . 2 . . . . 37 LEU HD1 . 15990 1 435 . 1 1 37 37 LEU HD12 H 1 0.843 0.020 . 2 . . . . 37 LEU HD1 . 15990 1 436 . 1 1 37 37 LEU HD13 H 1 0.843 0.020 . 2 . . . . 37 LEU HD1 . 15990 1 437 . 1 1 37 37 LEU HD21 H 1 0.928 0.020 . 2 . . . . 37 LEU HD2 . 15990 1 438 . 1 1 37 37 LEU HD22 H 1 0.928 0.020 . 2 . . . . 37 LEU HD2 . 15990 1 439 . 1 1 37 37 LEU HD23 H 1 0.928 0.020 . 2 . . . . 37 LEU HD2 . 15990 1 440 . 1 1 37 37 LEU HG H 1 1.752 0.020 . 1 . . . . 37 LEU HG . 15990 1 441 . 1 1 37 37 LEU CA C 13 58.620 0.400 . 1 . . . . 37 LEU CA . 15990 1 442 . 1 1 37 37 LEU CB C 13 42.133 0.400 . 1 . . . . 37 LEU CB . 15990 1 443 . 1 1 37 37 LEU CD1 C 13 26.000 0.400 . 1 . . . . 37 LEU CD1 . 15990 1 444 . 1 1 37 37 LEU CD2 C 13 24.740 0.400 . 1 . . . . 37 LEU CD2 . 15990 1 445 . 1 1 37 37 LEU CG C 13 27.471 0.400 . 1 . . . . 37 LEU CG . 15990 1 446 . 1 1 37 37 LEU N N 15 120.762 0.400 . 1 . . . . 37 LEU N . 15990 1 447 . 1 1 38 38 LEU H H 1 7.682 0.020 . 1 . . . . 38 LEU H . 15990 1 448 . 1 1 38 38 LEU HA H 1 3.938 0.020 . 1 . . . . 38 LEU HA . 15990 1 449 . 1 1 38 38 LEU HB2 H 1 1.839 0.020 . 2 . . . . 38 LEU HB2 . 15990 1 450 . 1 1 38 38 LEU HB3 H 1 1.638 0.020 . 2 . . . . 38 LEU HB3 . 15990 1 451 . 1 1 38 38 LEU HD11 H 1 0.914 0.020 . 2 . . . . 38 LEU HD1 . 15990 1 452 . 1 1 38 38 LEU HD12 H 1 0.914 0.020 . 2 . . . . 38 LEU HD1 . 15990 1 453 . 1 1 38 38 LEU HD13 H 1 0.914 0.020 . 2 . . . . 38 LEU HD1 . 15990 1 454 . 1 1 38 38 LEU HD21 H 1 0.811 0.020 . 2 . . . . 38 LEU HD2 . 15990 1 455 . 1 1 38 38 LEU HD22 H 1 0.811 0.020 . 2 . . . . 38 LEU HD2 . 15990 1 456 . 1 1 38 38 LEU HD23 H 1 0.811 0.020 . 2 . . . . 38 LEU HD2 . 15990 1 457 . 1 1 38 38 LEU HG H 1 2.046 0.020 . 1 . . . . 38 LEU HG . 15990 1 458 . 1 1 38 38 LEU CA C 13 58.242 0.400 . 1 . . . . 38 LEU CA . 15990 1 459 . 1 1 38 38 LEU CB C 13 41.885 0.400 . 1 . . . . 38 LEU CB . 15990 1 460 . 1 1 38 38 LEU CD1 C 13 26.260 0.400 . 1 . . . . 38 LEU CD1 . 15990 1 461 . 1 1 38 38 LEU CD2 C 13 24.410 0.400 . 1 . . . . 38 LEU CD2 . 15990 1 462 . 1 1 38 38 LEU CG C 13 27.280 0.400 . 1 . . . . 38 LEU CG . 15990 1 463 . 1 1 38 38 LEU N N 15 115.945 0.400 . 1 . . . . 38 LEU N . 15990 1 464 . 1 1 39 39 ASN H H 1 7.565 0.020 . 1 . . . . 39 ASN H . 15990 1 465 . 1 1 39 39 ASN HA H 1 4.448 0.020 . 1 . . . . 39 ASN HA . 15990 1 466 . 1 1 39 39 ASN HB2 H 1 2.673 0.020 . 2 . . . . 39 ASN HB2 . 15990 1 467 . 1 1 39 39 ASN HB3 H 1 2.565 0.020 . 2 . . . . 39 ASN HB3 . 15990 1 468 . 1 1 39 39 ASN HD21 H 1 7.461 0.020 . 2 . . . . 39 ASN HD21 . 15990 1 469 . 1 1 39 39 ASN HD22 H 1 6.943 0.020 . 2 . . . . 39 ASN HD22 . 15990 1 470 . 1 1 39 39 ASN CA C 13 55.814 0.400 . 1 . . . . 39 ASN CA . 15990 1 471 . 1 1 39 39 ASN CB C 13 38.795 0.400 . 1 . . . . 39 ASN CB . 15990 1 472 . 1 1 39 39 ASN N N 15 114.557 0.400 . 1 . . . . 39 ASN N . 15990 1 473 . 1 1 39 39 ASN ND2 N 15 114.439 0.400 . 1 . . . . 39 ASN ND2 . 15990 1 474 . 1 1 40 40 TYR H H 1 8.104 0.020 . 1 . . . . 40 TYR H . 15990 1 475 . 1 1 40 40 TYR HA H 1 4.393 0.020 . 1 . . . . 40 TYR HA . 15990 1 476 . 1 1 40 40 TYR HB2 H 1 3.013 0.020 . 2 . . . . 40 TYR HB2 . 15990 1 477 . 1 1 40 40 TYR HB3 H 1 2.745 0.020 . 2 . . . . 40 TYR HB3 . 15990 1 478 . 1 1 40 40 TYR HD1 H 1 7.085 0.020 . 1 . . . . 40 TYR HD1 . 15990 1 479 . 1 1 40 40 TYR HD2 H 1 7.085 0.020 . 1 . . . . 40 TYR HD2 . 15990 1 480 . 1 1 40 40 TYR CA C 13 59.707 0.400 . 1 . . . . 40 TYR CA . 15990 1 481 . 1 1 40 40 TYR CB C 13 39.713 0.400 . 1 . . . . 40 TYR CB . 15990 1 482 . 1 1 40 40 TYR N N 15 118.123 0.400 . 1 . . . . 40 TYR N . 15990 1 483 . 1 1 41 41 LEU HA H 1 4.613 0.020 . 1 . . . . 41 LEU HA . 15990 1 484 . 1 1 41 41 LEU HB2 H 1 1.861 0.020 . 2 . . . . 41 LEU HB2 . 15990 1 485 . 1 1 41 41 LEU HB3 H 1 1.721 0.020 . 2 . . . . 41 LEU HB3 . 15990 1 486 . 1 1 41 41 LEU HD11 H 1 0.946 0.020 . 2 . . . . 41 LEU HD1 . 15990 1 487 . 1 1 41 41 LEU HD12 H 1 0.946 0.020 . 2 . . . . 41 LEU HD1 . 15990 1 488 . 1 1 41 41 LEU HD13 H 1 0.946 0.020 . 2 . . . . 41 LEU HD1 . 15990 1 489 . 1 1 41 41 LEU HG H 1 1.772 0.020 . 1 . . . . 41 LEU HG . 15990 1 490 . 1 1 41 41 LEU CA C 13 55.820 0.400 . 1 . . . . 41 LEU CA . 15990 1 491 . 1 1 41 41 LEU CB C 13 43.074 0.400 . 1 . . . . 41 LEU CB . 15990 1 492 . 1 1 41 41 LEU CD1 C 13 26.150 0.400 . 1 . . . . 41 LEU CD1 . 15990 1 493 . 1 1 42 42 ASN HA H 1 4.481 0.020 . 1 . . . . 42 ASN HA . 15990 1 494 . 1 1 42 42 ASN HB2 H 1 3.125 0.020 . 2 . . . . 42 ASN HB2 . 15990 1 495 . 1 1 42 42 ASN HB3 H 1 2.902 0.020 . 2 . . . . 42 ASN HB3 . 15990 1 496 . 1 1 42 42 ASN HD21 H 1 7.647 0.020 . 2 . . . . 42 ASN HD21 . 15990 1 497 . 1 1 42 42 ASN HD22 H 1 6.730 0.020 . 2 . . . . 42 ASN HD22 . 15990 1 498 . 1 1 42 42 ASN CA C 13 58.270 0.400 . 1 . . . . 42 ASN CA . 15990 1 499 . 1 1 42 42 ASN CB C 13 39.101 0.400 . 1 . . . . 42 ASN CB . 15990 1 500 . 1 1 42 42 ASN ND2 N 15 111.445 0.400 . 1 . . . . 42 ASN ND2 . 15990 1 501 . 1 1 43 43 GLU H H 1 8.415 0.020 . 1 . . . . 43 GLU H . 15990 1 502 . 1 1 43 43 GLU HA H 1 4.450 0.020 . 1 . . . . 43 GLU HA . 15990 1 503 . 1 1 43 43 GLU HB2 H 1 2.061 0.020 . 2 . . . . 43 GLU HB2 . 15990 1 504 . 1 1 43 43 GLU HB3 H 1 1.928 0.020 . 2 . . . . 43 GLU HB3 . 15990 1 505 . 1 1 43 43 GLU HG2 H 1 2.324 0.020 . 2 . . . . 43 GLU HG2 . 15990 1 506 . 1 1 43 43 GLU HG3 H 1 2.324 0.020 . 2 . . . . 43 GLU HG3 . 15990 1 507 . 1 1 43 43 GLU CA C 13 55.554 0.400 . 1 . . . . 43 GLU CA . 15990 1 508 . 1 1 43 43 GLU CB C 13 31.007 0.400 . 1 . . . . 43 GLU CB . 15990 1 509 . 1 1 43 43 GLU CG C 13 34.544 0.400 . 1 . . . . 43 GLU CG . 15990 1 510 . 1 1 43 43 GLU N N 15 121.028 0.400 . 1 . . . . 43 GLU N . 15990 1 511 . 1 1 44 44 LYS H H 1 7.837 0.020 . 1 . . . . 44 LYS H . 15990 1 512 . 1 1 44 44 LYS HA H 1 4.240 0.020 . 1 . . . . 44 LYS HA . 15990 1 513 . 1 1 44 44 LYS HB2 H 1 1.889 0.020 . 2 . . . . 44 LYS HB2 . 15990 1 514 . 1 1 44 44 LYS HB3 H 1 1.667 0.020 . 2 . . . . 44 LYS HB3 . 15990 1 515 . 1 1 44 44 LYS HE2 H 1 2.974 0.020 . 2 . . . . 44 LYS HE2 . 15990 1 516 . 1 1 44 44 LYS HE3 H 1 2.974 0.020 . 2 . . . . 44 LYS HE3 . 15990 1 517 . 1 1 44 44 LYS HG2 H 1 1.391 0.020 . 2 . . . . 44 LYS HG2 . 15990 1 518 . 1 1 44 44 LYS HG3 H 1 1.323 0.020 . 2 . . . . 44 LYS HG3 . 15990 1 519 . 1 1 44 44 LYS CA C 13 57.026 0.400 . 1 . . . . 44 LYS CA . 15990 1 520 . 1 1 44 44 LYS CB C 13 33.190 0.400 . 1 . . . . 44 LYS CB . 15990 1 521 . 1 1 44 44 LYS CG C 13 25.754 0.400 . 1 . . . . 44 LYS CG . 15990 1 522 . 1 1 44 44 LYS N N 15 120.677 0.400 . 1 . . . . 44 LYS N . 15990 1 523 . 1 1 45 45 GLY HA2 H 1 4.141 0.020 . 2 . . . . 45 GLY HA2 . 15990 1 524 . 1 1 45 45 GLY HA3 H 1 3.662 0.020 . 2 . . . . 45 GLY HA3 . 15990 1 525 . 1 1 45 45 GLY CA C 13 46.446 0.400 . 1 . . . . 45 GLY CA . 15990 1 526 . 1 1 46 46 PHE HA H 1 4.801 0.020 . 1 . . . . 46 PHE HA . 15990 1 527 . 1 1 46 46 PHE HB2 H 1 3.032 0.020 . 2 . . . . 46 PHE HB2 . 15990 1 528 . 1 1 46 46 PHE HB3 H 1 2.764 0.020 . 2 . . . . 46 PHE HB3 . 15990 1 529 . 1 1 46 46 PHE HD1 H 1 7.076 0.020 . 1 . . . . 46 PHE HD1 . 15990 1 530 . 1 1 46 46 PHE HD2 H 1 7.076 0.020 . 1 . . . . 46 PHE HD2 . 15990 1 531 . 1 1 46 46 PHE CA C 13 58.338 0.400 . 1 . . . . 46 PHE CA . 15990 1 532 . 1 1 46 46 PHE CB C 13 40.759 0.400 . 1 . . . . 46 PHE CB . 15990 1 533 . 1 1 47 47 LEU H H 1 8.704 0.020 . 1 . . . . 47 LEU H . 15990 1 534 . 1 1 47 47 LEU N N 15 116.280 0.400 . 1 . . . . 47 LEU N . 15990 1 535 . 1 1 48 48 SER HA H 1 4.398 0.020 . 1 . . . . 48 SER HA . 15990 1 536 . 1 1 48 48 SER HB2 H 1 4.070 0.020 . 2 . . . . 48 SER HB2 . 15990 1 537 . 1 1 48 48 SER HB3 H 1 3.927 0.020 . 2 . . . . 48 SER HB3 . 15990 1 538 . 1 1 48 48 SER CA C 13 59.716 0.400 . 1 . . . . 48 SER CA . 15990 1 539 . 1 1 48 48 SER CB C 13 64.414 0.400 . 1 . . . . 48 SER CB . 15990 1 540 . 1 1 49 49 LYS H H 1 7.454 0.020 . 1 . . . . 49 LYS H . 15990 1 541 . 1 1 49 49 LYS HA H 1 4.548 0.020 . 1 . . . . 49 LYS HA . 15990 1 542 . 1 1 49 49 LYS HB2 H 1 1.856 0.020 . 2 . . . . 49 LYS HB2 . 15990 1 543 . 1 1 49 49 LYS HB3 H 1 1.526 0.020 . 2 . . . . 49 LYS HB3 . 15990 1 544 . 1 1 49 49 LYS HD2 H 1 1.565 0.020 . 2 . . . . 49 LYS HD2 . 15990 1 545 . 1 1 49 49 LYS HD3 H 1 1.518 0.020 . 2 . . . . 49 LYS HD3 . 15990 1 546 . 1 1 49 49 LYS HE2 H 1 3.015 0.020 . 2 . . . . 49 LYS HE2 . 15990 1 547 . 1 1 49 49 LYS HE3 H 1 3.015 0.020 . 2 . . . . 49 LYS HE3 . 15990 1 548 . 1 1 49 49 LYS HG2 H 1 1.523 0.020 . 2 . . . . 49 LYS HG2 . 15990 1 549 . 1 1 49 49 LYS HG3 H 1 1.523 0.020 . 2 . . . . 49 LYS HG3 . 15990 1 550 . 1 1 49 49 LYS CA C 13 55.424 0.400 . 1 . . . . 49 LYS CA . 15990 1 551 . 1 1 49 49 LYS CB C 13 36.753 0.400 . 1 . . . . 49 LYS CB . 15990 1 552 . 1 1 49 49 LYS CD C 13 29.642 0.400 . 1 . . . . 49 LYS CD . 15990 1 553 . 1 1 49 49 LYS CE C 13 42.669 0.400 . 1 . . . . 49 LYS CE . 15990 1 554 . 1 1 49 49 LYS CG C 13 26.030 0.400 . 1 . . . . 49 LYS CG . 15990 1 555 . 1 1 49 49 LYS N N 15 120.599 0.400 . 1 . . . . 49 LYS N . 15990 1 556 . 1 1 50 50 SER H H 1 8.597 0.020 . 1 . . . . 50 SER H . 15990 1 557 . 1 1 50 50 SER HA H 1 4.475 0.020 . 1 . . . . 50 SER HA . 15990 1 558 . 1 1 50 50 SER HB2 H 1 4.430 0.020 . 2 . . . . 50 SER HB2 . 15990 1 559 . 1 1 50 50 SER HB3 H 1 4.088 0.020 . 2 . . . . 50 SER HB3 . 15990 1 560 . 1 1 50 50 SER CA C 13 58.245 0.400 . 1 . . . . 50 SER CA . 15990 1 561 . 1 1 50 50 SER CB C 13 65.596 0.400 . 1 . . . . 50 SER CB . 15990 1 562 . 1 1 50 50 SER N N 15 115.565 0.400 . 1 . . . . 50 SER N . 15990 1 563 . 1 1 51 51 VAL H H 1 8.796 0.020 . 1 . . . . 51 VAL H . 15990 1 564 . 1 1 51 51 VAL HA H 1 3.663 0.020 . 1 . . . . 51 VAL HA . 15990 1 565 . 1 1 51 51 VAL HB H 1 2.111 0.020 . 1 . . . . 51 VAL HB . 15990 1 566 . 1 1 51 51 VAL HG11 H 1 1.035 0.020 . 2 . . . . 51 VAL HG1 . 15990 1 567 . 1 1 51 51 VAL HG12 H 1 1.035 0.020 . 2 . . . . 51 VAL HG1 . 15990 1 568 . 1 1 51 51 VAL HG13 H 1 1.035 0.020 . 2 . . . . 51 VAL HG1 . 15990 1 569 . 1 1 51 51 VAL HG21 H 1 1.035 0.020 . 2 . . . . 51 VAL HG2 . 15990 1 570 . 1 1 51 51 VAL HG22 H 1 1.035 0.020 . 2 . . . . 51 VAL HG2 . 15990 1 571 . 1 1 51 51 VAL HG23 H 1 1.035 0.020 . 2 . . . . 51 VAL HG2 . 15990 1 572 . 1 1 51 51 VAL CA C 13 66.704 0.400 . 1 . . . . 51 VAL CA . 15990 1 573 . 1 1 51 51 VAL CB C 13 32.181 0.400 . 1 . . . . 51 VAL CB . 15990 1 574 . 1 1 51 51 VAL CG1 C 13 22.493 0.400 . 1 . . . . 51 VAL CG1 . 15990 1 575 . 1 1 51 51 VAL N N 15 119.250 0.400 . 1 . . . . 51 VAL N . 15990 1 576 . 1 1 52 52 GLU H H 1 9.039 0.020 . 1 . . . . 52 GLU H . 15990 1 577 . 1 1 52 52 GLU HA H 1 3.830 0.020 . 1 . . . . 52 GLU HA . 15990 1 578 . 1 1 52 52 GLU HB2 H 1 2.093 0.020 . 2 . . . . 52 GLU HB2 . 15990 1 579 . 1 1 52 52 GLU HB3 H 1 1.956 0.020 . 2 . . . . 52 GLU HB3 . 15990 1 580 . 1 1 52 52 GLU HG2 H 1 2.483 0.020 . 2 . . . . 52 GLU HG2 . 15990 1 581 . 1 1 52 52 GLU HG3 H 1 2.223 0.020 . 2 . . . . 52 GLU HG3 . 15990 1 582 . 1 1 52 52 GLU CA C 13 61.704 0.400 . 1 . . . . 52 GLU CA . 15990 1 583 . 1 1 52 52 GLU CB C 13 29.274 0.400 . 1 . . . . 52 GLU CB . 15990 1 584 . 1 1 52 52 GLU CG C 13 37.924 0.400 . 1 . . . . 52 GLU CG . 15990 1 585 . 1 1 52 52 GLU N N 15 122.282 0.400 . 1 . . . . 52 GLU N . 15990 1 586 . 1 1 53 53 GLU H H 1 7.795 0.020 . 1 . . . . 53 GLU H . 15990 1 587 . 1 1 53 53 GLU HA H 1 4.095 0.020 . 1 . . . . 53 GLU HA . 15990 1 588 . 1 1 53 53 GLU HB2 H 1 2.268 0.020 . 2 . . . . 53 GLU HB2 . 15990 1 589 . 1 1 53 53 GLU HB3 H 1 1.980 0.020 . 2 . . . . 53 GLU HB3 . 15990 1 590 . 1 1 53 53 GLU HG2 H 1 2.370 0.020 . 2 . . . . 53 GLU HG2 . 15990 1 591 . 1 1 53 53 GLU HG3 H 1 2.245 0.020 . 2 . . . . 53 GLU HG3 . 15990 1 592 . 1 1 53 53 GLU CA C 13 59.815 0.400 . 1 . . . . 53 GLU CA . 15990 1 593 . 1 1 53 53 GLU CB C 13 30.823 0.400 . 1 . . . . 53 GLU CB . 15990 1 594 . 1 1 53 53 GLU CG C 13 37.868 0.400 . 1 . . . . 53 GLU CG . 15990 1 595 . 1 1 53 53 GLU N N 15 120.508 0.400 . 1 . . . . 53 GLU N . 15990 1 596 . 1 1 54 54 ILE H H 1 8.301 0.020 . 1 . . . . 54 ILE H . 15990 1 597 . 1 1 54 54 ILE HA H 1 3.314 0.020 . 1 . . . . 54 ILE HA . 15990 1 598 . 1 1 54 54 ILE HB H 1 1.474 0.020 . 1 . . . . 54 ILE HB . 15990 1 599 . 1 1 54 54 ILE HD11 H 1 0.538 0.020 . 1 . . . . 54 ILE HD1 . 15990 1 600 . 1 1 54 54 ILE HD12 H 1 0.538 0.020 . 1 . . . . 54 ILE HD1 . 15990 1 601 . 1 1 54 54 ILE HD13 H 1 0.538 0.020 . 1 . . . . 54 ILE HD1 . 15990 1 602 . 1 1 54 54 ILE HG12 H 1 1.509 0.020 . 2 . . . . 54 ILE HG12 . 15990 1 603 . 1 1 54 54 ILE HG13 H 1 0.176 0.020 . 2 . . . . 54 ILE HG13 . 15990 1 604 . 1 1 54 54 ILE HG21 H 1 0.569 0.020 . 1 . . . . 54 ILE HG2 . 15990 1 605 . 1 1 54 54 ILE HG22 H 1 0.569 0.020 . 1 . . . . 54 ILE HG2 . 15990 1 606 . 1 1 54 54 ILE HG23 H 1 0.569 0.020 . 1 . . . . 54 ILE HG2 . 15990 1 607 . 1 1 54 54 ILE CA C 13 65.825 0.400 . 1 . . . . 54 ILE CA . 15990 1 608 . 1 1 54 54 ILE CB C 13 38.317 0.400 . 1 . . . . 54 ILE CB . 15990 1 609 . 1 1 54 54 ILE CD1 C 13 14.776 0.400 . 1 . . . . 54 ILE CD1 . 15990 1 610 . 1 1 54 54 ILE CG1 C 13 29.128 0.400 . 1 . . . . 54 ILE CG1 . 15990 1 611 . 1 1 54 54 ILE CG2 C 13 19.132 0.400 . 1 . . . . 54 ILE CG2 . 15990 1 612 . 1 1 54 54 ILE N N 15 119.651 0.400 . 1 . . . . 54 ILE N . 15990 1 613 . 1 1 55 55 SER H H 1 8.354 0.020 . 1 . . . . 55 SER H . 15990 1 614 . 1 1 55 55 SER HA H 1 4.210 0.020 . 1 . . . . 55 SER HA . 15990 1 615 . 1 1 55 55 SER HB2 H 1 4.028 0.020 . 2 . . . . 55 SER HB2 . 15990 1 616 . 1 1 55 55 SER HB3 H 1 3.826 0.020 . 2 . . . . 55 SER HB3 . 15990 1 617 . 1 1 55 55 SER CA C 13 62.600 0.400 . 1 . . . . 55 SER CA . 15990 1 618 . 1 1 55 55 SER CB C 13 62.631 0.400 . 1 . . . . 55 SER CB . 15990 1 619 . 1 1 55 55 SER N N 15 116.149 0.400 . 1 . . . . 55 SER N . 15990 1 620 . 1 1 56 56 ASP H H 1 7.345 0.020 . 1 . . . . 56 ASP H . 15990 1 621 . 1 1 56 56 ASP HA H 1 4.573 0.020 . 1 . . . . 56 ASP HA . 15990 1 622 . 1 1 56 56 ASP HB2 H 1 2.841 0.020 . 2 . . . . 56 ASP HB2 . 15990 1 623 . 1 1 56 56 ASP HB3 H 1 2.764 0.020 . 2 . . . . 56 ASP HB3 . 15990 1 624 . 1 1 56 56 ASP CA C 13 57.740 0.400 . 1 . . . . 56 ASP CA . 15990 1 625 . 1 1 56 56 ASP CB C 13 41.864 0.400 . 1 . . . . 56 ASP CB . 15990 1 626 . 1 1 56 56 ASP N N 15 120.839 0.400 . 1 . . . . 56 ASP N . 15990 1 627 . 1 1 57 57 VAL H H 1 7.556 0.020 . 1 . . . . 57 VAL H . 15990 1 628 . 1 1 57 57 VAL HA H 1 3.792 0.020 . 1 . . . . 57 VAL HA . 15990 1 629 . 1 1 57 57 VAL HB H 1 2.208 0.020 . 1 . . . . 57 VAL HB . 15990 1 630 . 1 1 57 57 VAL HG11 H 1 1.113 0.020 . 2 . . . . 57 VAL HG1 . 15990 1 631 . 1 1 57 57 VAL HG12 H 1 1.113 0.020 . 2 . . . . 57 VAL HG1 . 15990 1 632 . 1 1 57 57 VAL HG13 H 1 1.113 0.020 . 2 . . . . 57 VAL HG1 . 15990 1 633 . 1 1 57 57 VAL HG21 H 1 0.941 0.020 . 2 . . . . 57 VAL HG2 . 15990 1 634 . 1 1 57 57 VAL HG22 H 1 0.941 0.020 . 2 . . . . 57 VAL HG2 . 15990 1 635 . 1 1 57 57 VAL HG23 H 1 0.941 0.020 . 2 . . . . 57 VAL HG2 . 15990 1 636 . 1 1 57 57 VAL CA C 13 66.383 0.400 . 1 . . . . 57 VAL CA . 15990 1 637 . 1 1 57 57 VAL CB C 13 32.482 0.400 . 1 . . . . 57 VAL CB . 15990 1 638 . 1 1 57 57 VAL CG1 C 13 22.852 0.400 . 1 . . . . 57 VAL CG1 . 15990 1 639 . 1 1 57 57 VAL CG2 C 13 21.791 0.400 . 1 . . . . 57 VAL CG2 . 15990 1 640 . 1 1 57 57 VAL N N 15 119.783 0.400 . 1 . . . . 57 VAL N . 15990 1 641 . 1 1 58 58 LEU H H 1 8.211 0.020 . 1 . . . . 58 LEU H . 15990 1 642 . 1 1 58 58 LEU HA H 1 4.170 0.020 . 1 . . . . 58 LEU HA . 15990 1 643 . 1 1 58 58 LEU HB2 H 1 1.785 0.020 . 2 . . . . 58 LEU HB2 . 15990 1 644 . 1 1 58 58 LEU HB3 H 1 1.569 0.020 . 2 . . . . 58 LEU HB3 . 15990 1 645 . 1 1 58 58 LEU HD11 H 1 0.808 0.020 . 2 . . . . 58 LEU HD1 . 15990 1 646 . 1 1 58 58 LEU HD12 H 1 0.808 0.020 . 2 . . . . 58 LEU HD1 . 15990 1 647 . 1 1 58 58 LEU HD13 H 1 0.808 0.020 . 2 . . . . 58 LEU HD1 . 15990 1 648 . 1 1 58 58 LEU HD21 H 1 0.853 0.020 . 2 . . . . 58 LEU HD2 . 15990 1 649 . 1 1 58 58 LEU HD22 H 1 0.853 0.020 . 2 . . . . 58 LEU HD2 . 15990 1 650 . 1 1 58 58 LEU HD23 H 1 0.853 0.020 . 2 . . . . 58 LEU HD2 . 15990 1 651 . 1 1 58 58 LEU HG H 1 1.782 0.020 . 1 . . . . 58 LEU HG . 15990 1 652 . 1 1 58 58 LEU CA C 13 55.942 0.400 . 1 . . . . 58 LEU CA . 15990 1 653 . 1 1 58 58 LEU CB C 13 42.116 0.400 . 1 . . . . 58 LEU CB . 15990 1 654 . 1 1 58 58 LEU CD1 C 13 26.957 0.400 . 1 . . . . 58 LEU CD1 . 15990 1 655 . 1 1 58 58 LEU CD2 C 13 23.447 0.400 . 1 . . . . 58 LEU CD2 . 15990 1 656 . 1 1 58 58 LEU CG C 13 27.715 0.400 . 1 . . . . 58 LEU CG . 15990 1 657 . 1 1 58 58 LEU N N 15 117.834 0.400 . 1 . . . . 58 LEU N . 15990 1 658 . 1 1 59 59 ARG H H 1 7.910 0.020 . 1 . . . . 59 ARG H . 15990 1 659 . 1 1 59 59 ARG HA H 1 4.043 0.020 . 1 . . . . 59 ARG HA . 15990 1 660 . 1 1 59 59 ARG HB2 H 1 2.188 0.020 . 2 . . . . 59 ARG HB2 . 15990 1 661 . 1 1 59 59 ARG HB3 H 1 1.910 0.020 . 2 . . . . 59 ARG HB3 . 15990 1 662 . 1 1 59 59 ARG HD2 H 1 3.272 0.020 . 2 . . . . 59 ARG HD2 . 15990 1 663 . 1 1 59 59 ARG HD3 H 1 3.272 0.020 . 2 . . . . 59 ARG HD3 . 15990 1 664 . 1 1 59 59 ARG HG2 H 1 1.640 0.020 . 2 . . . . 59 ARG HG2 . 15990 1 665 . 1 1 59 59 ARG HG3 H 1 1.640 0.020 . 2 . . . . 59 ARG HG3 . 15990 1 666 . 1 1 59 59 ARG CA C 13 56.973 0.400 . 1 . . . . 59 ARG CA . 15990 1 667 . 1 1 59 59 ARG CB C 13 26.914 0.400 . 1 . . . . 59 ARG CB . 15990 1 668 . 1 1 59 59 ARG CD C 13 44.000 0.400 . 1 . . . . 59 ARG CD . 15990 1 669 . 1 1 59 59 ARG CG C 13 27.633 0.400 . 1 . . . . 59 ARG CG . 15990 1 670 . 1 1 59 59 ARG N N 15 115.949 0.400 . 1 . . . . 59 ARG N . 15990 1 671 . 1 1 60 60 CYS H H 1 8.383 0.020 . 1 . . . . 60 CYS H . 15990 1 672 . 1 1 60 60 CYS HA H 1 5.229 0.020 . 1 . . . . 60 CYS HA . 15990 1 673 . 1 1 60 60 CYS HB2 H 1 3.506 0.020 . 2 . . . . 60 CYS HB2 . 15990 1 674 . 1 1 60 60 CYS HB3 H 1 2.472 0.020 . 2 . . . . 60 CYS HB3 . 15990 1 675 . 1 1 60 60 CYS CA C 13 55.217 0.400 . 1 . . . . 60 CYS CA . 15990 1 676 . 1 1 60 60 CYS CB C 13 32.768 0.400 . 1 . . . . 60 CYS CB . 15990 1 677 . 1 1 60 60 CYS N N 15 115.735 0.400 . 1 . . . . 60 CYS N . 15990 1 678 . 1 1 61 61 SER H H 1 8.824 0.020 . 1 . . . . 61 SER H . 15990 1 679 . 1 1 61 61 SER HA H 1 4.783 0.020 . 1 . . . . 61 SER HA . 15990 1 680 . 1 1 61 61 SER HB2 H 1 4.403 0.020 . 2 . . . . 61 SER HB2 . 15990 1 681 . 1 1 61 61 SER HB3 H 1 4.019 0.020 . 2 . . . . 61 SER HB3 . 15990 1 682 . 1 1 61 61 SER CA C 13 57.446 0.400 . 1 . . . . 61 SER CA . 15990 1 683 . 1 1 61 61 SER CB C 13 65.881 0.400 . 1 . . . . 61 SER CB . 15990 1 684 . 1 1 61 61 SER N N 15 116.083 0.400 . 1 . . . . 61 SER N . 15990 1 685 . 1 1 62 62 VAL H H 1 8.881 0.020 . 1 . . . . 62 VAL H . 15990 1 686 . 1 1 62 62 VAL HA H 1 3.742 0.020 . 1 . . . . 62 VAL HA . 15990 1 687 . 1 1 62 62 VAL HB H 1 2.080 0.020 . 1 . . . . 62 VAL HB . 15990 1 688 . 1 1 62 62 VAL HG11 H 1 1.089 0.020 . 2 . . . . 62 VAL HG1 . 15990 1 689 . 1 1 62 62 VAL HG12 H 1 1.089 0.020 . 2 . . . . 62 VAL HG1 . 15990 1 690 . 1 1 62 62 VAL HG13 H 1 1.089 0.020 . 2 . . . . 62 VAL HG1 . 15990 1 691 . 1 1 62 62 VAL HG21 H 1 0.979 0.020 . 2 . . . . 62 VAL HG2 . 15990 1 692 . 1 1 62 62 VAL HG22 H 1 0.979 0.020 . 2 . . . . 62 VAL HG2 . 15990 1 693 . 1 1 62 62 VAL HG23 H 1 0.979 0.020 . 2 . . . . 62 VAL HG2 . 15990 1 694 . 1 1 62 62 VAL CA C 13 67.096 0.400 . 1 . . . . 62 VAL CA . 15990 1 695 . 1 1 62 62 VAL CB C 13 32.168 0.400 . 1 . . . . 62 VAL CB . 15990 1 696 . 1 1 62 62 VAL CG1 C 13 23.516 0.400 . 1 . . . . 62 VAL CG1 . 15990 1 697 . 1 1 62 62 VAL CG2 C 13 22.225 0.400 . 1 . . . . 62 VAL CG2 . 15990 1 698 . 1 1 62 62 VAL N N 15 123.494 0.400 . 1 . . . . 62 VAL N . 15990 1 699 . 1 1 63 63 GLU H H 1 8.569 0.020 . 1 . . . . 63 GLU H . 15990 1 700 . 1 1 63 63 GLU HA H 1 4.035 0.020 . 1 . . . . 63 GLU HA . 15990 1 701 . 1 1 63 63 GLU HB2 H 1 2.101 0.020 . 2 . . . . 63 GLU HB2 . 15990 1 702 . 1 1 63 63 GLU HB3 H 1 1.962 0.020 . 2 . . . . 63 GLU HB3 . 15990 1 703 . 1 1 63 63 GLU HG2 H 1 2.358 0.020 . 2 . . . . 63 GLU HG2 . 15990 1 704 . 1 1 63 63 GLU HG3 H 1 2.324 0.020 . 2 . . . . 63 GLU HG3 . 15990 1 705 . 1 1 63 63 GLU CA C 13 60.624 0.400 . 1 . . . . 63 GLU CA . 15990 1 706 . 1 1 63 63 GLU CB C 13 29.786 0.400 . 1 . . . . 63 GLU CB . 15990 1 707 . 1 1 63 63 GLU CG C 13 37.620 0.400 . 1 . . . . 63 GLU CG . 15990 1 708 . 1 1 63 63 GLU N N 15 118.865 0.400 . 1 . . . . 63 GLU N . 15990 1 709 . 1 1 64 64 GLU H H 1 7.852 0.020 . 1 . . . . 64 GLU H . 15990 1 710 . 1 1 64 64 GLU HA H 1 4.011 0.020 . 1 . . . . 64 GLU HA . 15990 1 711 . 1 1 64 64 GLU HB2 H 1 2.268 0.020 . 2 . . . . 64 GLU HB2 . 15990 1 712 . 1 1 64 64 GLU HB3 H 1 1.916 0.020 . 2 . . . . 64 GLU HB3 . 15990 1 713 . 1 1 64 64 GLU HG2 H 1 2.281 0.020 . 2 . . . . 64 GLU HG2 . 15990 1 714 . 1 1 64 64 GLU HG3 H 1 2.281 0.020 . 2 . . . . 64 GLU HG3 . 15990 1 715 . 1 1 64 64 GLU CA C 13 59.530 0.400 . 1 . . . . 64 GLU CA . 15990 1 716 . 1 1 64 64 GLU CB C 13 30.753 0.400 . 1 . . . . 64 GLU CB . 15990 1 717 . 1 1 64 64 GLU N N 15 119.583 0.400 . 1 . . . . 64 GLU N . 15990 1 718 . 1 1 65 65 LEU H H 1 7.866 0.020 . 1 . . . . 65 LEU H . 15990 1 719 . 1 1 65 65 LEU HA H 1 4.048 0.020 . 1 . . . . 65 LEU HA . 15990 1 720 . 1 1 65 65 LEU HB2 H 1 1.867 0.020 . 2 . . . . 65 LEU HB2 . 15990 1 721 . 1 1 65 65 LEU HB3 H 1 1.584 0.020 . 2 . . . . 65 LEU HB3 . 15990 1 722 . 1 1 65 65 LEU HD11 H 1 0.857 0.020 . 2 . . . . 65 LEU HD1 . 15990 1 723 . 1 1 65 65 LEU HD12 H 1 0.857 0.020 . 2 . . . . 65 LEU HD1 . 15990 1 724 . 1 1 65 65 LEU HD13 H 1 0.857 0.020 . 2 . . . . 65 LEU HD1 . 15990 1 725 . 1 1 65 65 LEU HD21 H 1 0.870 0.020 . 2 . . . . 65 LEU HD2 . 15990 1 726 . 1 1 65 65 LEU HD22 H 1 0.870 0.020 . 2 . . . . 65 LEU HD2 . 15990 1 727 . 1 1 65 65 LEU HD23 H 1 0.870 0.020 . 2 . . . . 65 LEU HD2 . 15990 1 728 . 1 1 65 65 LEU CA C 13 58.014 0.400 . 1 . . . . 65 LEU CA . 15990 1 729 . 1 1 65 65 LEU CB C 13 42.245 0.400 . 1 . . . . 65 LEU CB . 15990 1 730 . 1 1 65 65 LEU CD1 C 13 27.190 0.400 . 1 . . . . 65 LEU CD1 . 15990 1 731 . 1 1 65 65 LEU CD2 C 13 25.168 0.400 . 1 . . . . 65 LEU CD2 . 15990 1 732 . 1 1 65 65 LEU N N 15 120.530 0.400 . 1 . . . . 65 LEU N . 15990 1 733 . 1 1 66 66 GLU H H 1 8.731 0.020 . 1 . . . . 66 GLU H . 15990 1 734 . 1 1 66 66 GLU HA H 1 4.278 0.020 . 1 . . . . 66 GLU HA . 15990 1 735 . 1 1 66 66 GLU HB2 H 1 2.164 0.020 . 2 . . . . 66 GLU HB2 . 15990 1 736 . 1 1 66 66 GLU HB3 H 1 1.998 0.020 . 2 . . . . 66 GLU HB3 . 15990 1 737 . 1 1 66 66 GLU HG2 H 1 2.354 0.020 . 2 . . . . 66 GLU HG2 . 15990 1 738 . 1 1 66 66 GLU HG3 H 1 2.319 0.020 . 2 . . . . 66 GLU HG3 . 15990 1 739 . 1 1 66 66 GLU CA C 13 59.520 0.400 . 1 . . . . 66 GLU CA . 15990 1 740 . 1 1 66 66 GLU CB C 13 29.849 0.400 . 1 . . . . 66 GLU CB . 15990 1 741 . 1 1 66 66 GLU CG C 13 36.437 0.400 . 1 . . . . 66 GLU CG . 15990 1 742 . 1 1 66 66 GLU N N 15 119.595 0.400 . 1 . . . . 66 GLU N . 15990 1 743 . 1 1 67 67 LYS H H 1 7.652 0.020 . 1 . . . . 67 LYS H . 15990 1 744 . 1 1 67 67 LYS HA H 1 4.072 0.020 . 1 . . . . 67 LYS HA . 15990 1 745 . 1 1 67 67 LYS HB2 H 1 1.969 0.020 . 2 . . . . 67 LYS HB2 . 15990 1 746 . 1 1 67 67 LYS HB3 H 1 1.969 0.020 . 2 . . . . 67 LYS HB3 . 15990 1 747 . 1 1 67 67 LYS HD2 H 1 1.749 0.020 . 2 . . . . 67 LYS HD2 . 15990 1 748 . 1 1 67 67 LYS HD3 H 1 1.749 0.020 . 2 . . . . 67 LYS HD3 . 15990 1 749 . 1 1 67 67 LYS HE2 H 1 2.986 0.020 . 2 . . . . 67 LYS HE2 . 15990 1 750 . 1 1 67 67 LYS HE3 H 1 2.986 0.020 . 2 . . . . 67 LYS HE3 . 15990 1 751 . 1 1 67 67 LYS HG2 H 1 1.663 0.020 . 2 . . . . 67 LYS HG2 . 15990 1 752 . 1 1 67 67 LYS HG3 H 1 1.457 0.020 . 2 . . . . 67 LYS HG3 . 15990 1 753 . 1 1 67 67 LYS CA C 13 60.067 0.400 . 1 . . . . 67 LYS CA . 15990 1 754 . 1 1 67 67 LYS CB C 13 32.854 0.400 . 1 . . . . 67 LYS CB . 15990 1 755 . 1 1 67 67 LYS CD C 13 29.850 0.400 . 1 . . . . 67 LYS CD . 15990 1 756 . 1 1 67 67 LYS CE C 13 42.450 0.400 . 1 . . . . 67 LYS CE . 15990 1 757 . 1 1 67 67 LYS CG C 13 25.935 0.400 . 1 . . . . 67 LYS CG . 15990 1 758 . 1 1 67 67 LYS N N 15 118.528 0.400 . 1 . . . . 67 LYS N . 15990 1 759 . 1 1 68 68 VAL H H 1 7.703 0.020 . 1 . . . . 68 VAL H . 15990 1 760 . 1 1 68 68 VAL HA H 1 3.755 0.020 . 1 . . . . 68 VAL HA . 15990 1 761 . 1 1 68 68 VAL HB H 1 2.259 0.020 . 1 . . . . 68 VAL HB . 15990 1 762 . 1 1 68 68 VAL HG11 H 1 1.192 0.020 . 2 . . . . 68 VAL HG1 . 15990 1 763 . 1 1 68 68 VAL HG12 H 1 1.192 0.020 . 2 . . . . 68 VAL HG1 . 15990 1 764 . 1 1 68 68 VAL HG13 H 1 1.192 0.020 . 2 . . . . 68 VAL HG1 . 15990 1 765 . 1 1 68 68 VAL HG21 H 1 0.975 0.020 . 2 . . . . 68 VAL HG2 . 15990 1 766 . 1 1 68 68 VAL HG22 H 1 0.975 0.020 . 2 . . . . 68 VAL HG2 . 15990 1 767 . 1 1 68 68 VAL HG23 H 1 0.975 0.020 . 2 . . . . 68 VAL HG2 . 15990 1 768 . 1 1 68 68 VAL CA C 13 66.926 0.400 . 1 . . . . 68 VAL CA . 15990 1 769 . 1 1 68 68 VAL CB C 13 32.389 0.400 . 1 . . . . 68 VAL CB . 15990 1 770 . 1 1 68 68 VAL CG1 C 13 24.041 0.400 . 1 . . . . 68 VAL CG1 . 15990 1 771 . 1 1 68 68 VAL CG2 C 13 22.450 0.400 . 1 . . . . 68 VAL CG2 . 15990 1 772 . 1 1 68 68 VAL N N 15 117.463 0.400 . 1 . . . . 68 VAL N . 15990 1 773 . 1 1 69 69 ARG H H 1 8.910 0.020 . 1 . . . . 69 ARG H . 15990 1 774 . 1 1 69 69 ARG HA H 1 3.717 0.020 . 1 . . . . 69 ARG HA . 15990 1 775 . 1 1 69 69 ARG HB2 H 1 2.125 0.020 . 2 . . . . 69 ARG HB2 . 15990 1 776 . 1 1 69 69 ARG HB3 H 1 1.772 0.020 . 2 . . . . 69 ARG HB3 . 15990 1 777 . 1 1 69 69 ARG HD2 H 1 3.229 0.020 . 2 . . . . 69 ARG HD2 . 15990 1 778 . 1 1 69 69 ARG HD3 H 1 2.973 0.020 . 2 . . . . 69 ARG HD3 . 15990 1 779 . 1 1 69 69 ARG HG2 H 1 1.586 0.020 . 2 . . . . 69 ARG HG2 . 15990 1 780 . 1 1 69 69 ARG HG3 H 1 1.586 0.020 . 2 . . . . 69 ARG HG3 . 15990 1 781 . 1 1 69 69 ARG CA C 13 60.978 0.400 . 1 . . . . 69 ARG CA . 15990 1 782 . 1 1 69 69 ARG CB C 13 30.785 0.400 . 1 . . . . 69 ARG CB . 15990 1 783 . 1 1 69 69 ARG CD C 13 43.805 0.400 . 1 . . . . 69 ARG CD . 15990 1 784 . 1 1 69 69 ARG CG C 13 28.450 0.400 . 1 . . . . 69 ARG CG . 15990 1 785 . 1 1 69 69 ARG N N 15 121.753 0.400 . 1 . . . . 69 ARG N . 15990 1 786 . 1 1 70 70 GLN H H 1 7.966 0.020 . 1 . . . . 70 GLN H . 15990 1 787 . 1 1 70 70 GLN HA H 1 4.008 0.020 . 1 . . . . 70 GLN HA . 15990 1 788 . 1 1 70 70 GLN HB2 H 1 2.186 0.020 . 2 . . . . 70 GLN HB2 . 15990 1 789 . 1 1 70 70 GLN HB3 H 1 2.186 0.020 . 2 . . . . 70 GLN HB3 . 15990 1 790 . 1 1 70 70 GLN HE21 H 1 7.729 0.020 . 2 . . . . 70 GLN HE21 . 15990 1 791 . 1 1 70 70 GLN HE22 H 1 6.803 0.020 . 2 . . . . 70 GLN HE22 . 15990 1 792 . 1 1 70 70 GLN HG2 H 1 2.625 0.020 . 2 . . . . 70 GLN HG2 . 15990 1 793 . 1 1 70 70 GLN HG3 H 1 2.462 0.020 . 2 . . . . 70 GLN HG3 . 15990 1 794 . 1 1 70 70 GLN CA C 13 59.255 0.400 . 1 . . . . 70 GLN CA . 15990 1 795 . 1 1 70 70 GLN CB C 13 29.030 0.400 . 1 . . . . 70 GLN CB . 15990 1 796 . 1 1 70 70 GLN CG C 13 34.530 0.400 . 1 . . . . 70 GLN CG . 15990 1 797 . 1 1 70 70 GLN N N 15 115.180 0.400 . 1 . . . . 70 GLN N . 15990 1 798 . 1 1 70 70 GLN NE2 N 15 112.110 0.400 . 1 . . . . 70 GLN NE2 . 15990 1 799 . 1 1 71 71 LYS H H 1 7.588 0.020 . 1 . . . . 71 LYS H . 15990 1 800 . 1 1 71 71 LYS HA H 1 4.209 0.020 . 1 . . . . 71 LYS HA . 15990 1 801 . 1 1 71 71 LYS HB2 H 1 2.030 0.020 . 2 . . . . 71 LYS HB2 . 15990 1 802 . 1 1 71 71 LYS HB3 H 1 1.903 0.020 . 2 . . . . 71 LYS HB3 . 15990 1 803 . 1 1 71 71 LYS HD2 H 1 1.636 0.020 . 2 . . . . 71 LYS HD2 . 15990 1 804 . 1 1 71 71 LYS HD3 H 1 1.636 0.020 . 2 . . . . 71 LYS HD3 . 15990 1 805 . 1 1 71 71 LYS HE2 H 1 2.944 0.020 . 2 . . . . 71 LYS HE2 . 15990 1 806 . 1 1 71 71 LYS HE3 H 1 2.944 0.020 . 2 . . . . 71 LYS HE3 . 15990 1 807 . 1 1 71 71 LYS HG2 H 1 1.707 0.020 . 2 . . . . 71 LYS HG2 . 15990 1 808 . 1 1 71 71 LYS HG3 H 1 1.482 0.020 . 2 . . . . 71 LYS HG3 . 15990 1 809 . 1 1 71 71 LYS CA C 13 59.343 0.400 . 1 . . . . 71 LYS CA . 15990 1 810 . 1 1 71 71 LYS CB C 13 33.716 0.400 . 1 . . . . 71 LYS CB . 15990 1 811 . 1 1 71 71 LYS CD C 13 29.991 0.400 . 1 . . . . 71 LYS CD . 15990 1 812 . 1 1 71 71 LYS CE C 13 42.495 0.400 . 1 . . . . 71 LYS CE . 15990 1 813 . 1 1 71 71 LYS CG C 13 26.445 0.400 . 1 . . . . 71 LYS CG . 15990 1 814 . 1 1 71 71 LYS N N 15 117.167 0.400 . 1 . . . . 71 LYS N . 15990 1 815 . 1 1 72 72 VAL H H 1 8.105 0.020 . 1 . . . . 72 VAL H . 15990 1 816 . 1 1 72 72 VAL HA H 1 3.943 0.020 . 1 . . . . 72 VAL HA . 15990 1 817 . 1 1 72 72 VAL HB H 1 2.157 0.020 . 1 . . . . 72 VAL HB . 15990 1 818 . 1 1 72 72 VAL HG11 H 1 1.013 0.020 . 2 . . . . 72 VAL HG1 . 15990 1 819 . 1 1 72 72 VAL HG12 H 1 1.013 0.020 . 2 . . . . 72 VAL HG1 . 15990 1 820 . 1 1 72 72 VAL HG13 H 1 1.013 0.020 . 2 . . . . 72 VAL HG1 . 15990 1 821 . 1 1 72 72 VAL HG21 H 1 0.933 0.020 . 2 . . . . 72 VAL HG2 . 15990 1 822 . 1 1 72 72 VAL HG22 H 1 0.933 0.020 . 2 . . . . 72 VAL HG2 . 15990 1 823 . 1 1 72 72 VAL HG23 H 1 0.933 0.020 . 2 . . . . 72 VAL HG2 . 15990 1 824 . 1 1 72 72 VAL CA C 13 65.263 0.400 . 1 . . . . 72 VAL CA . 15990 1 825 . 1 1 72 72 VAL CB C 13 33.210 0.400 . 1 . . . . 72 VAL CB . 15990 1 826 . 1 1 72 72 VAL CG1 C 13 23.093 0.400 . 1 . . . . 72 VAL CG1 . 15990 1 827 . 1 1 72 72 VAL CG2 C 13 22.549 0.400 . 1 . . . . 72 VAL CG2 . 15990 1 828 . 1 1 72 72 VAL N N 15 116.108 0.400 . 1 . . . . 72 VAL N . 15990 1 829 . 1 1 73 73 LEU H H 1 7.892 0.020 . 1 . . . . 73 LEU H . 15990 1 830 . 1 1 73 73 LEU HA H 1 4.420 0.020 . 1 . . . . 73 LEU HA . 15990 1 831 . 1 1 73 73 LEU HB2 H 1 1.813 0.020 . 2 . . . . 73 LEU HB2 . 15990 1 832 . 1 1 73 73 LEU HB3 H 1 1.633 0.020 . 2 . . . . 73 LEU HB3 . 15990 1 833 . 1 1 73 73 LEU HD11 H 1 0.905 0.020 . 2 . . . . 73 LEU HD1 . 15990 1 834 . 1 1 73 73 LEU HD12 H 1 0.905 0.020 . 2 . . . . 73 LEU HD1 . 15990 1 835 . 1 1 73 73 LEU HD13 H 1 0.905 0.020 . 2 . . . . 73 LEU HD1 . 15990 1 836 . 1 1 73 73 LEU HD21 H 1 0.894 0.020 . 2 . . . . 73 LEU HD2 . 15990 1 837 . 1 1 73 73 LEU HD22 H 1 0.894 0.020 . 2 . . . . 73 LEU HD2 . 15990 1 838 . 1 1 73 73 LEU HD23 H 1 0.894 0.020 . 2 . . . . 73 LEU HD2 . 15990 1 839 . 1 1 73 73 LEU HG H 1 1.777 0.020 . 1 . . . . 73 LEU HG . 15990 1 840 . 1 1 73 73 LEU CA C 13 55.673 0.400 . 1 . . . . 73 LEU CA . 15990 1 841 . 1 1 73 73 LEU CB C 13 42.420 0.400 . 1 . . . . 73 LEU CB . 15990 1 842 . 1 1 73 73 LEU CD1 C 13 26.320 0.400 . 1 . . . . 73 LEU CD1 . 15990 1 843 . 1 1 73 73 LEU CD2 C 13 23.776 0.400 . 1 . . . . 73 LEU CD2 . 15990 1 844 . 1 1 73 73 LEU CG C 13 27.253 0.400 . 1 . . . . 73 LEU CG . 15990 1 845 . 1 1 73 73 LEU N N 15 118.372 0.400 . 1 . . . . 73 LEU N . 15990 1 846 . 1 1 74 74 ARG H H 1 7.669 0.020 . 1 . . . . 74 ARG H . 15990 1 847 . 1 1 74 74 ARG HA H 1 4.293 0.020 . 1 . . . . 74 ARG HA . 15990 1 848 . 1 1 74 74 ARG HB2 H 1 1.964 0.020 . 2 . . . . 74 ARG HB2 . 15990 1 849 . 1 1 74 74 ARG HB3 H 1 1.910 0.020 . 2 . . . . 74 ARG HB3 . 15990 1 850 . 1 1 74 74 ARG HD2 H 1 3.210 0.020 . 2 . . . . 74 ARG HD2 . 15990 1 851 . 1 1 74 74 ARG HD3 H 1 3.210 0.020 . 2 . . . . 74 ARG HD3 . 15990 1 852 . 1 1 74 74 ARG HG2 H 1 1.680 0.020 . 2 . . . . 74 ARG HG2 . 15990 1 853 . 1 1 74 74 ARG HG3 H 1 1.665 0.020 . 2 . . . . 74 ARG HG3 . 15990 1 854 . 1 1 74 74 ARG CA C 13 56.973 0.400 . 1 . . . . 74 ARG CA . 15990 1 855 . 1 1 74 74 ARG CB C 13 30.122 0.400 . 1 . . . . 74 ARG CB . 15990 1 856 . 1 1 74 74 ARG CD C 13 44.032 0.400 . 1 . . . . 74 ARG CD . 15990 1 857 . 1 1 74 74 ARG CG C 13 27.957 0.400 . 1 . . . . 74 ARG CG . 15990 1 858 . 1 1 74 74 ARG N N 15 117.720 0.400 . 1 . . . . 74 ARG N . 15990 1 859 . 1 1 75 75 LEU H H 1 7.974 0.020 . 1 . . . . 75 LEU H . 15990 1 860 . 1 1 75 75 LEU HA H 1 4.415 0.020 . 1 . . . . 75 LEU HA . 15990 1 861 . 1 1 75 75 LEU HB2 H 1 1.742 0.020 . 2 . . . . 75 LEU HB2 . 15990 1 862 . 1 1 75 75 LEU HB3 H 1 1.608 0.020 . 2 . . . . 75 LEU HB3 . 15990 1 863 . 1 1 75 75 LEU HD11 H 1 0.880 0.020 . 2 . . . . 75 LEU HD1 . 15990 1 864 . 1 1 75 75 LEU HD12 H 1 0.880 0.020 . 2 . . . . 75 LEU HD1 . 15990 1 865 . 1 1 75 75 LEU HD13 H 1 0.880 0.020 . 2 . . . . 75 LEU HD1 . 15990 1 866 . 1 1 75 75 LEU HD21 H 1 0.851 0.020 . 2 . . . . 75 LEU HD2 . 15990 1 867 . 1 1 75 75 LEU HD22 H 1 0.851 0.020 . 2 . . . . 75 LEU HD2 . 15990 1 868 . 1 1 75 75 LEU HD23 H 1 0.851 0.020 . 2 . . . . 75 LEU HD2 . 15990 1 869 . 1 1 75 75 LEU HG H 1 1.761 0.020 . 1 . . . . 75 LEU HG . 15990 1 870 . 1 1 75 75 LEU CA C 13 55.570 0.400 . 1 . . . . 75 LEU CA . 15990 1 871 . 1 1 75 75 LEU CB C 13 43.007 0.400 . 1 . . . . 75 LEU CB . 15990 1 872 . 1 1 75 75 LEU CD2 C 13 23.743 0.400 . 1 . . . . 75 LEU CD2 . 15990 1 873 . 1 1 75 75 LEU CG C 13 27.311 0.400 . 1 . . . . 75 LEU CG . 15990 1 874 . 1 1 75 75 LEU N N 15 121.576 0.400 . 1 . . . . 75 LEU N . 15990 1 875 . 1 1 76 76 GLU H H 1 7.793 0.020 . 1 . . . . 76 GLU H . 15990 1 876 . 1 1 76 76 GLU HA H 1 4.125 0.020 . 1 . . . . 76 GLU HA . 15990 1 877 . 1 1 76 76 GLU HB2 H 1 2.063 0.020 . 2 . . . . 76 GLU HB2 . 15990 1 878 . 1 1 76 76 GLU HB3 H 1 1.924 0.020 . 2 . . . . 76 GLU HB3 . 15990 1 879 . 1 1 76 76 GLU HG2 H 1 2.222 0.020 . 2 . . . . 76 GLU HG2 . 15990 1 880 . 1 1 76 76 GLU HG3 H 1 2.222 0.020 . 2 . . . . 76 GLU HG3 . 15990 1 881 . 1 1 76 76 GLU CA C 13 58.580 0.400 . 1 . . . . 76 GLU CA . 15990 1 882 . 1 1 76 76 GLU CB C 13 31.997 0.400 . 1 . . . . 76 GLU CB . 15990 1 883 . 1 1 76 76 GLU CG C 13 37.350 0.400 . 1 . . . . 76 GLU CG . 15990 1 884 . 1 1 76 76 GLU N N 15 125.670 0.400 . 1 . . . . 76 GLU N . 15990 1 stop_ save_