data_53398 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53398 _Entry.Title ; Uba7 UFD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-10-18 _Entry.Accession_date 2025-10-18 _Entry.Last_release_date 2025-10-20 _Entry.Original_release_date 2025-10-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'ISGylation E1 Enzyme Uba7 Ubiquitin fold domain' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Cagdas DAG . . . . 53398 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53398 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 249 53398 '15N chemical shifts' 71 53398 '1H chemical shifts' 561 53398 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2025-10-21 . original BMRB . 53398 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53398 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Role of Uba7-UFD in E1-E2 ISGylation: NMR-Based Insights into E2 Binding Dynamics ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Cagdas DAG . . . . 53398 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53398 _Assembly.ID 1 _Assembly.Name 'Uba7 UFD' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'Uba7 UFD' 1 $entity_1 . . yes native no no . . . 53398 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53398 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; PAGQPERTLESLLAHLQEQH GLRVRILLHGSALLYAAGWS PEKQAQHLPLRVTELVQQLT GQAPAPGQRVLVLELSCEGD DEDTAFPPLHYEL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes PDB 8WWX . 'Uba7 UFD' . . . . . . . . . . . . . . 53398 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 . PRO . 53398 1 2 . ALA . 53398 1 3 . GLY . 53398 1 4 . GLN . 53398 1 5 . PRO . 53398 1 6 . GLU . 53398 1 7 . ARG . 53398 1 8 . THR . 53398 1 9 . LEU . 53398 1 10 . GLU . 53398 1 11 . SER . 53398 1 12 . LEU . 53398 1 13 . LEU . 53398 1 14 . ALA . 53398 1 15 . HIS . 53398 1 16 . LEU . 53398 1 17 . GLN . 53398 1 18 . GLU . 53398 1 19 . GLN . 53398 1 20 . HIS . 53398 1 21 . GLY . 53398 1 22 . LEU . 53398 1 23 . ARG . 53398 1 24 . VAL . 53398 1 25 . ARG . 53398 1 26 . ILE . 53398 1 27 . LEU . 53398 1 28 . LEU . 53398 1 29 . HIS . 53398 1 30 . GLY . 53398 1 31 . SER . 53398 1 32 . ALA . 53398 1 33 . LEU . 53398 1 34 . LEU . 53398 1 35 . TYR . 53398 1 36 . ALA . 53398 1 37 . ALA . 53398 1 38 . GLY . 53398 1 39 . TRP . 53398 1 40 . SER . 53398 1 41 . PRO . 53398 1 42 . GLU . 53398 1 43 . LYS . 53398 1 44 . GLN . 53398 1 45 . ALA . 53398 1 46 . GLN . 53398 1 47 . HIS . 53398 1 48 . LEU . 53398 1 49 . PRO . 53398 1 50 . LEU . 53398 1 51 . ARG . 53398 1 52 . VAL . 53398 1 53 . THR . 53398 1 54 . GLU . 53398 1 55 . LEU . 53398 1 56 . VAL . 53398 1 57 . GLN . 53398 1 58 . GLN . 53398 1 59 . LEU . 53398 1 60 . THR . 53398 1 61 . GLY . 53398 1 62 . GLN . 53398 1 63 . ALA . 53398 1 64 . PRO . 53398 1 65 . ALA . 53398 1 66 . PRO . 53398 1 67 . GLY . 53398 1 68 . GLN . 53398 1 69 . ARG . 53398 1 70 . VAL . 53398 1 71 . LEU . 53398 1 72 . VAL . 53398 1 73 . LEU . 53398 1 74 . GLU . 53398 1 75 . LEU . 53398 1 76 . SER . 53398 1 77 . CYS . 53398 1 78 . GLU . 53398 1 79 . GLY . 53398 1 80 . ASP . 53398 1 81 . ASP . 53398 1 82 . GLU . 53398 1 83 . ASP . 53398 1 84 . THR . 53398 1 85 . ALA . 53398 1 86 . PHE . 53398 1 87 . PRO . 53398 1 88 . PRO . 53398 1 89 . LEU . 53398 1 90 . HIS . 53398 1 91 . TYR . 53398 1 92 . GLU . 53398 1 93 . LEU . 53398 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 . PRO 1 1 53398 1 . ALA 2 2 53398 1 . GLY 3 3 53398 1 . GLN 4 4 53398 1 . PRO 5 5 53398 1 . GLU 6 6 53398 1 . ARG 7 7 53398 1 . THR 8 8 53398 1 . LEU 9 9 53398 1 . GLU 10 10 53398 1 . SER 11 11 53398 1 . LEU 12 12 53398 1 . LEU 13 13 53398 1 . ALA 14 14 53398 1 . HIS 15 15 53398 1 . LEU 16 16 53398 1 . GLN 17 17 53398 1 . GLU 18 18 53398 1 . GLN 19 19 53398 1 . HIS 20 20 53398 1 . GLY 21 21 53398 1 . LEU 22 22 53398 1 . ARG 23 23 53398 1 . VAL 24 24 53398 1 . ARG 25 25 53398 1 . ILE 26 26 53398 1 . LEU 27 27 53398 1 . LEU 28 28 53398 1 . HIS 29 29 53398 1 . GLY 30 30 53398 1 . SER 31 31 53398 1 . ALA 32 32 53398 1 . LEU 33 33 53398 1 . LEU 34 34 53398 1 . TYR 35 35 53398 1 . ALA 36 36 53398 1 . ALA 37 37 53398 1 . GLY 38 38 53398 1 . TRP 39 39 53398 1 . SER 40 40 53398 1 . PRO 41 41 53398 1 . GLU 42 42 53398 1 . LYS 43 43 53398 1 . GLN 44 44 53398 1 . ALA 45 45 53398 1 . GLN 46 46 53398 1 . HIS 47 47 53398 1 . LEU 48 48 53398 1 . PRO 49 49 53398 1 . LEU 50 50 53398 1 . ARG 51 51 53398 1 . VAL 52 52 53398 1 . THR 53 53 53398 1 . GLU 54 54 53398 1 . LEU 55 55 53398 1 . VAL 56 56 53398 1 . GLN 57 57 53398 1 . GLN 58 58 53398 1 . LEU 59 59 53398 1 . THR 60 60 53398 1 . GLY 61 61 53398 1 . GLN 62 62 53398 1 . ALA 63 63 53398 1 . PRO 64 64 53398 1 . ALA 65 65 53398 1 . PRO 66 66 53398 1 . GLY 67 67 53398 1 . GLN 68 68 53398 1 . ARG 69 69 53398 1 . VAL 70 70 53398 1 . LEU 71 71 53398 1 . VAL 72 72 53398 1 . LEU 73 73 53398 1 . GLU 74 74 53398 1 . LEU 75 75 53398 1 . SER 76 76 53398 1 . CYS 77 77 53398 1 . GLU 78 78 53398 1 . GLY 79 79 53398 1 . ASP 80 80 53398 1 . ASP 81 81 53398 1 . GLU 82 82 53398 1 . ASP 83 83 53398 1 . THR 84 84 53398 1 . ALA 85 85 53398 1 . PHE 86 86 53398 1 . PRO 87 87 53398 1 . PRO 88 88 53398 1 . LEU 89 89 53398 1 . HIS 90 90 53398 1 . TYR 91 91 53398 1 . GLU 92 92 53398 1 . LEU 93 93 53398 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53398 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 53398 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53398 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pQE30 . . . 53398 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53398 _Sample.ID 1 _Sample.Name 'Uba7 UFD' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 'Uba7 UFD' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 700 . . uM . . . . 53398 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 53398 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 53398 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 53398 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 53398 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Uba7 UFD' _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' 100 . mM 53398 1 pH 7.4 . pH 53398 1 pressure 1 . atm 53398 1 temperature 20 . K 53398 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53398 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53398 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53398 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53398 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53398 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 53398 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Uba7 UFD' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0 internal direct 1 . . . . . 53398 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 53398 1 N 15 DSS nitrogen . . . . ppm 0 internal direct 1 . . . . . 53398 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53398 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Uba7 UFD' _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 $chem_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' . . . 53398 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53398 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 PRO HA H 1 4.752 0.01 . 1 . . . . . 1 PRO HA . 53398 1 2 . 1 . 1 1 1 PRO HB2 H 1 2.333 0.01 . 1 . . . . . 1 PRO HB2 . 53398 1 3 . 1 . 1 1 1 PRO HB3 H 1 1.857 0.01 . 1 . . . . . 1 PRO HB3 . 53398 1 4 . 1 . 1 1 1 PRO HG2 H 1 2.092 0.02 . 1 . . . . . 1 PRO QG . 53398 1 5 . 1 . 1 1 1 PRO HG3 H 1 2.092 0.02 . 1 . . . . . 1 PRO QG . 53398 1 6 . 1 . 1 1 1 PRO HD2 H 1 3.876 0.06 . 1 . . . . . 1 PRO HD2 . 53398 1 7 . 1 . 1 1 1 PRO HD3 H 1 3.579 0.01 . 1 . . . . . 1 PRO HD3 . 53398 1 8 . 1 . 1 1 1 PRO CA C 13 61.167 0.06 . 1 . . . . . 1 PRO CA . 53398 1 9 . 1 . 1 1 1 PRO CB C 13 30.734 0.06 . 1 . . . . . 1 PRO CB . 53398 1 10 . 1 . 1 1 1 PRO CG C 13 26.205 0.06 . 1 . . . . . 1 PRO CG . 53398 1 11 . 1 . 1 1 1 PRO CD C 13 50.149 0.06 . 1 . . . . . 1 PRO CD . 53398 1 12 . 1 . 1 2 2 ALA H H 1 8.864 0.00 . 1 . . . . . 2 ALA H . 53398 1 13 . 1 . 1 2 2 ALA HA H 1 3.813 0.02 . 1 . . . . . 2 ALA HA . 53398 1 14 . 1 . 1 2 2 ALA HB1 H 1 1.120 0.01 . 1 . . . . . 2 ALA HB# . 53398 1 15 . 1 . 1 2 2 ALA HB2 H 1 1.120 0.01 . 1 . . . . . 2 ALA HB# . 53398 1 16 . 1 . 1 2 2 ALA HB3 H 1 1.120 0.01 . 1 . . . . . 2 ALA HB# . 53398 1 17 . 1 . 1 2 2 ALA CA C 13 53.719 0.14 . 1 . . . . . 2 ALA CA . 53398 1 18 . 1 . 1 2 2 ALA CB C 13 20.388 0.00 . 1 . . . . . 2 ALA CB . 53398 1 19 . 1 . 1 2 2 ALA N N 15 128.145 0.08 . 1 . . . . . 2 ALA N . 53398 1 20 . 1 . 1 3 3 GLY H H 1 8.093 0.01 . 1 . . . . . 3 GLY H . 53398 1 21 . 1 . 1 3 3 GLY HA2 H 1 4.225 0.02 . 1 . . . . . 3 GLY HA2 . 53398 1 22 . 1 . 1 3 3 GLY HA3 H 1 3.545 0.01 . 1 . . . . . 3 GLY HA3 . 53398 1 23 . 1 . 1 3 3 GLY CA C 13 42.432 0.15 . 1 . . . . . 3 GLY CA . 53398 1 24 . 1 . 1 3 3 GLY N N 15 102.422 0.05 . 1 . . . . . 3 GLY N . 53398 1 25 . 1 . 1 4 4 GLN H H 1 7.676 0.01 . 1 . . . . . 4 GLN H . 53398 1 26 . 1 . 1 4 4 GLN HA H 1 4.530 0.01 . 1 . . . . . 4 GLN HA . 53398 1 27 . 1 . 1 4 4 GLN HB2 H 1 1.956 0.00 . 1 . . . . . 4 GLN QB . 53398 1 28 . 1 . 1 4 4 GLN HB3 H 1 1.956 0.00 . 1 . . . . . 4 GLN QB . 53398 1 29 . 1 . 1 4 4 GLN HG2 H 1 2.304 0.00 . 1 . . . . . 4 GLN QG . 53398 1 30 . 1 . 1 4 4 GLN HG3 H 1 2.304 0.00 . 1 . . . . . 4 GLN QG . 53398 1 31 . 1 . 1 4 4 GLN CA C 13 51.807 0.12 . 1 . . . . . 4 GLN CA . 53398 1 32 . 1 . 1 4 4 GLN CB C 13 30.396 0.05 . 1 . . . . . 4 GLN CB . 53398 1 33 . 1 . 1 4 4 GLN CG C 13 32.929 0.07 . 1 . . . . . 4 GLN CG . 53398 1 34 . 1 . 1 4 4 GLN N N 15 116.818 0.05 . 1 . . . . . 4 GLN N . 53398 1 35 . 1 . 1 6 6 GLU HA H 1 3.865 0.02 . 1 . . . . . 6 GLU HA . 53398 1 36 . 1 . 1 6 6 GLU HB2 H 1 2.027 0.03 . 1 . . . . . 6 GLU HB2 . 53398 1 37 . 1 . 1 6 6 GLU HB3 H 1 1.715 0.01 . 1 . . . . . 6 GLU HB3 . 53398 1 38 . 1 . 1 6 6 GLU HG3 H 1 2.609 0.01 . 1 . . . . . 6 GLU HG3 . 53398 1 39 . 1 . 1 6 6 GLU CA C 13 56.311 0.10 . 1 . . . . . 6 GLU CA . 53398 1 40 . 1 . 1 6 6 GLU CB C 13 28.150 0.11 . 1 . . . . . 6 GLU CB . 53398 1 41 . 1 . 1 6 6 GLU CG C 13 34.595 0.05 . 1 . . . . . 6 GLU CG . 53398 1 42 . 1 . 1 7 7 ARG H H 1 8.488 0.01 . 1 . . . . . 7 ARG H . 53398 1 43 . 1 . 1 7 7 ARG HA H 1 4.590 0.01 . 1 . . . . . 7 ARG HA . 53398 1 44 . 1 . 1 7 7 ARG HB2 H 1 2.271 0.02 . 1 . . . . . 7 ARG HB2 . 53398 1 45 . 1 . 1 7 7 ARG HB3 H 1 2.072 0.01 . 1 . . . . . 7 ARG HB3 . 53398 1 46 . 1 . 1 7 7 ARG HG2 H 1 1.908 0.06 . 1 . . . . . 7 ARG QG . 53398 1 47 . 1 . 1 7 7 ARG HG3 H 1 1.908 0.06 . 1 . . . . . 7 ARG QG . 53398 1 48 . 1 . 1 7 7 ARG HD2 H 1 3.284 0.00 . 1 . . . . . 7 ARG HD2 . 53398 1 49 . 1 . 1 7 7 ARG HD3 H 1 3.284 0.00 . 1 . . . . . 7 ARG HD3 . 53398 1 50 . 1 . 1 7 7 ARG CA C 13 54.864 0.42 . 1 . . . . . 7 ARG CA . 53398 1 51 . 1 . 1 7 7 ARG CB C 13 29.999 0.08 . 1 . . . . . 7 ARG CB . 53398 1 52 . 1 . 1 7 7 ARG CG C 13 25.115 0.09 . 1 . . . . . 7 ARG CG . 53398 1 53 . 1 . 1 7 7 ARG CD C 13 42.664 0.00 . 1 . . . . . 7 ARG CD . 53398 1 54 . 1 . 1 7 7 ARG N N 15 125.802 0.09 . 1 . . . . . 7 ARG N . 53398 1 55 . 1 . 1 8 8 THR H H 1 7.868 0.01 . 1 . . . . . 8 THR H . 53398 1 56 . 1 . 1 8 8 THR HA H 1 4.436 0.04 . 1 . . . . . 8 THR HA . 53398 1 57 . 1 . 1 8 8 THR HB H 1 4.790 0.08 . 1 . . . . . 8 THR HB . 53398 1 58 . 1 . 1 8 8 THR HG21 H 1 1.303 0.01 . 1 . . . . . 8 THR QG2 . 53398 1 59 . 1 . 1 8 8 THR HG22 H 1 1.303 0.01 . 1 . . . . . 8 THR QG2 . 53398 1 60 . 1 . 1 8 8 THR HG23 H 1 1.303 0.01 . 1 . . . . . 8 THR QG2 . 53398 1 61 . 1 . 1 8 8 THR CA C 13 59.880 0.07 . 1 . . . . . 8 THR CA . 53398 1 62 . 1 . 1 8 8 THR N N 15 108.359 0.06 . 1 . . . . . 8 THR N . 53398 1 63 . 1 . 1 9 9 LEU H H 1 9.071 0.00 . 1 . . . . . 9 LEU H . 53398 1 64 . 1 . 1 9 9 LEU HA H 1 4.017 0.02 . 1 . . . . . 9 LEU HA . 53398 1 65 . 1 . 1 9 9 LEU HB2 H 1 2.441 0.02 . 1 . . . . . 9 LEU HB2 . 53398 1 66 . 1 . 1 9 9 LEU HB3 H 1 1.452 0.01 . 1 . . . . . 9 LEU HB3 . 53398 1 67 . 1 . 1 9 9 LEU HG H 1 1.033 0.01 . 1 . . . . . 9 LEU HG . 53398 1 68 . 1 . 1 9 9 LEU HD11 H 1 0.732 0.04 . 1 . . . . . 9 LEU QD1 . 53398 1 69 . 1 . 1 9 9 LEU HD12 H 1 0.732 0.04 . 1 . . . . . 9 LEU QD1 . 53398 1 70 . 1 . 1 9 9 LEU HD13 H 1 0.732 0.04 . 1 . . . . . 9 LEU QD1 . 53398 1 71 . 1 . 1 9 9 LEU HD21 H 1 0.665 0.00 . 1 . . . . . 9 LEU QD2 . 53398 1 72 . 1 . 1 9 9 LEU HD22 H 1 0.665 0.00 . 1 . . . . . 9 LEU QD2 . 53398 1 73 . 1 . 1 9 9 LEU HD23 H 1 0.665 0.00 . 1 . . . . . 9 LEU QD2 . 53398 1 74 . 1 . 1 9 9 LEU CA C 13 57.648 0.12 . 1 . . . . . 9 LEU CA . 53398 1 75 . 1 . 1 9 9 LEU CB C 13 39.531 0.17 . 1 . . . . . 9 LEU CB . 53398 1 76 . 1 . 1 9 9 LEU CG C 13 25.804 0.07 . 1 . . . . . 9 LEU CG . 53398 1 77 . 1 . 1 9 9 LEU CD1 C 13 22.883 0.08 . 1 . . . . . 9 LEU CD1 . 53398 1 78 . 1 . 1 9 9 LEU N N 15 122.837 0.11 . 1 . . . . . 9 LEU N . 53398 1 79 . 1 . 1 10 10 GLU H H 1 8.978 0.00 . 1 . . . . . 10 GLU H . 53398 1 80 . 1 . 1 10 10 GLU HA H 1 3.713 0.01 . 1 . . . . . 10 GLU HA . 53398 1 81 . 1 . 1 10 10 GLU HB2 H 1 2.090 0.02 . 1 . . . . . 10 GLU HB2 . 53398 1 82 . 1 . 1 10 10 GLU HB3 H 1 1.988 0.04 . 1 . . . . . 10 GLU HB3 . 53398 1 83 . 1 . 1 10 10 GLU HG2 H 1 2.223 0.01 . 1 . . . . . 10 GLU QG . 53398 1 84 . 1 . 1 10 10 GLU HG3 H 1 2.223 0.01 . 1 . . . . . 10 GLU QG . 53398 1 85 . 1 . 1 10 10 GLU CA C 13 59.224 0.11 . 1 . . . . . 10 GLU CA . 53398 1 86 . 1 . 1 10 10 GLU CB C 13 28.534 0.19 . 1 . . . . . 10 GLU CB . 53398 1 87 . 1 . 1 10 10 GLU CG C 13 34.339 0.18 . 1 . . . . . 10 GLU CG . 53398 1 88 . 1 . 1 10 10 GLU N N 15 118.901 0.09 . 1 . . . . . 10 GLU N . 53398 1 89 . 1 . 1 11 11 SER H H 1 7.797 0.00 . 1 . . . . . 11 SER H . 53398 1 90 . 1 . 1 11 11 SER HA H 1 4.352 0.09 . 1 . . . . . 11 SER HA . 53398 1 91 . 1 . 1 11 11 SER HB2 H 1 4.161 0.01 . 1 . . . . . 11 SER QB . 53398 1 92 . 1 . 1 11 11 SER HB3 H 1 4.161 0.01 . 1 . . . . . 11 SER QB . 53398 1 93 . 1 . 1 11 11 SER CA C 13 58.866 0.05 . 1 . . . . . 11 SER CA . 53398 1 94 . 1 . 1 11 11 SER CB C 13 61.740 0.03 . 1 . . . . . 11 SER CB . 53398 1 95 . 1 . 1 11 11 SER N N 15 114.269 0.05 . 1 . . . . . 11 SER N . 53398 1 96 . 1 . 1 12 12 LEU H H 1 8.594 0.01 . 1 . . . . . 12 LEU H . 53398 1 97 . 1 . 1 12 12 LEU HA H 1 4.081 0.02 . 1 . . . . . 12 LEU HA . 53398 1 98 . 1 . 1 12 12 LEU HB2 H 1 2.375 0.02 . 1 . . . . . 12 LEU HB2 . 53398 1 99 . 1 . 1 12 12 LEU HB3 H 1 1.433 0.01 . 1 . . . . . 12 LEU HB3 . 53398 1 100 . 1 . 1 12 12 LEU HG H 1 0.911 0.38 . 1 . . . . . 12 LEU HG . 53398 1 101 . 1 . 1 12 12 LEU HD11 H 1 0.626 0.02 . 1 . . . . . 12 LEU QD1 . 53398 1 102 . 1 . 1 12 12 LEU HD12 H 1 0.626 0.02 . 1 . . . . . 12 LEU QD1 . 53398 1 103 . 1 . 1 12 12 LEU HD13 H 1 0.626 0.02 . 1 . . . . . 12 LEU QD1 . 53398 1 104 . 1 . 1 12 12 LEU HD21 H 1 1.020 0.01 . 1 . . . . . 12 LEU QD2 . 53398 1 105 . 1 . 1 12 12 LEU HD22 H 1 1.020 0.01 . 1 . . . . . 12 LEU QD2 . 53398 1 106 . 1 . 1 12 12 LEU HD23 H 1 1.020 0.01 . 1 . . . . . 12 LEU QD2 . 53398 1 107 . 1 . 1 12 12 LEU CA C 13 58.140 0.08 . 1 . . . . . 12 LEU CA . 53398 1 108 . 1 . 1 12 12 LEU CB C 13 40.169 0.14 . 1 . . . . . 12 LEU CB . 53398 1 109 . 1 . 1 12 12 LEU CG C 13 25.253 0.81 . 1 . . . . . 12 LEU CG . 53398 1 110 . 1 . 1 12 12 LEU CD1 C 13 25.004 0.00 . 1 . . . . . 12 LEU CD1 . 53398 1 111 . 1 . 1 12 12 LEU CD2 C 13 23.599 0.05 . 1 . . . . . 12 LEU CD2 . 53398 1 112 . 1 . 1 12 12 LEU N N 15 123.138 0.03 . 1 . . . . . 12 LEU N . 53398 1 113 . 1 . 1 13 13 LEU H H 1 8.564 0.01 . 1 . . . . . 13 LEU H . 53398 1 114 . 1 . 1 13 13 LEU HA H 1 3.841 0.01 . 1 . . . . . 13 LEU HA . 53398 1 115 . 1 . 1 13 13 LEU HB2 H 1 1.792 0.02 . 1 . . . . . 13 LEU HB2 . 53398 1 116 . 1 . 1 13 13 LEU HB3 H 1 1.325 0.02 . 1 . . . . . 13 LEU HB3 . 53398 1 117 . 1 . 1 13 13 LEU HG H 1 1.528 0.01 . 1 . . . . . 13 LEU HG . 53398 1 118 . 1 . 1 13 13 LEU HD11 H 1 0.004 0.05 . 1 . . . . . 13 LEU QD1 . 53398 1 119 . 1 . 1 13 13 LEU HD12 H 1 0.004 0.05 . 1 . . . . . 13 LEU QD1 . 53398 1 120 . 1 . 1 13 13 LEU HD13 H 1 0.004 0.05 . 1 . . . . . 13 LEU QD1 . 53398 1 121 . 1 . 1 13 13 LEU HD21 H 1 0.348 0.10 . 1 . . . . . 13 LEU QD2 . 53398 1 122 . 1 . 1 13 13 LEU HD22 H 1 0.348 0.10 . 1 . . . . . 13 LEU QD2 . 53398 1 123 . 1 . 1 13 13 LEU HD23 H 1 0.348 0.10 . 1 . . . . . 13 LEU QD2 . 53398 1 124 . 1 . 1 13 13 LEU CA C 13 57.297 0.15 . 1 . . . . . 13 LEU CA . 53398 1 125 . 1 . 1 13 13 LEU CB C 13 39.845 0.15 . 1 . . . . . 13 LEU CB . 53398 1 126 . 1 . 1 13 13 LEU CG C 13 25.258 0.13 . 1 . . . . . 13 LEU CG . 53398 1 127 . 1 . 1 13 13 LEU CD1 C 13 23.625 0.09 . 1 . . . . . 13 LEU CD1 . 53398 1 128 . 1 . 1 13 13 LEU N N 15 118.060 0.06 . 1 . . . . . 13 LEU N . 53398 1 129 . 1 . 1 14 14 ALA H H 1 8.187 0.00 . 1 . . . . . 14 ALA H . 53398 1 130 . 1 . 1 14 14 ALA HA H 1 4.273 0.01 . 1 . . . . . 14 ALA HA . 53398 1 131 . 1 . 1 14 14 ALA HB1 H 1 1.610 0.01 . 1 . . . . . 14 ALA HB# . 53398 1 132 . 1 . 1 14 14 ALA HB2 H 1 1.610 0.01 . 1 . . . . . 14 ALA HB# . 53398 1 133 . 1 . 1 14 14 ALA HB3 H 1 1.610 0.01 . 1 . . . . . 14 ALA HB# . 53398 1 134 . 1 . 1 14 14 ALA CA C 13 54.426 0.20 . 1 . . . . . 14 ALA CA . 53398 1 135 . 1 . 1 14 14 ALA CB C 13 18.471 0.00 . 1 . . . . . 14 ALA CB . 53398 1 136 . 1 . 1 14 14 ALA N N 15 122.593 0.07 . 1 . . . . . 14 ALA N . 53398 1 137 . 1 . 1 15 15 HIS H H 1 8.599 0.00 . 1 . . . . . 15 HIS H . 53398 1 138 . 1 . 1 15 15 HIS HA H 1 4.428 0.01 . 1 . . . . . 15 HIS HA . 53398 1 139 . 1 . 1 15 15 HIS HB2 H 1 3.534 0.01 . 1 . . . . . 15 HIS HB2 . 53398 1 140 . 1 . 1 15 15 HIS HB3 H 1 3.355 0.01 . 1 . . . . . 15 HIS HB3 . 53398 1 141 . 1 . 1 15 15 HIS HD2 H 1 6.567 0.00 . 1 . . . . . 15 HIS HD2 . 53398 1 142 . 1 . 1 15 15 HIS HE1 H 1 6.884 0.00 . 1 . . . . . 15 HIS HE1 . 53398 1 143 . 1 . 1 15 15 HIS CA C 13 59.231 0.13 . 1 . . . . . 15 HIS CA . 53398 1 144 . 1 . 1 15 15 HIS CB C 13 30.071 0.05 . 1 . . . . . 15 HIS CB . 53398 1 145 . 1 . 1 15 15 HIS CD2 C 13 127.047 0.00 . 1 . . . . . 15 HIS CD2 . 53398 1 146 . 1 . 1 15 15 HIS CE1 C 13 142.033 0.00 . 1 . . . . . 15 HIS CE1 . 53398 1 147 . 1 . 1 15 15 HIS N N 15 120.090 0.04 . 1 . . . . . 15 HIS N . 53398 1 148 . 1 . 1 16 16 LEU H H 1 8.356 0.00 . 1 . . . . . 16 LEU H . 53398 1 149 . 1 . 1 16 16 LEU HA H 1 4.040 0.02 . 1 . . . . . 16 LEU HA . 53398 1 150 . 1 . 1 16 16 LEU HB2 H 1 2.061 0.01 . 1 . . . . . 16 LEU HB2 . 53398 1 151 . 1 . 1 16 16 LEU HB3 H 1 1.452 0.01 . 1 . . . . . 16 LEU HB3 . 53398 1 152 . 1 . 1 16 16 LEU HG H 1 2.108 0.02 . 1 . . . . . 16 LEU HG . 53398 1 153 . 1 . 1 16 16 LEU HD11 H 1 0.746 0.00 . 1 . . . . . 16 LEU QD1 . 53398 1 154 . 1 . 1 16 16 LEU HD12 H 1 0.746 0.00 . 1 . . . . . 16 LEU QD1 . 53398 1 155 . 1 . 1 16 16 LEU HD13 H 1 0.746 0.00 . 1 . . . . . 16 LEU QD1 . 53398 1 156 . 1 . 1 16 16 LEU HD21 H 1 0.844 0.02 . 1 . . . . . 16 LEU QD2 . 53398 1 157 . 1 . 1 16 16 LEU HD22 H 1 0.844 0.02 . 1 . . . . . 16 LEU QD2 . 53398 1 158 . 1 . 1 16 16 LEU HD23 H 1 0.844 0.02 . 1 . . . . . 16 LEU QD2 . 53398 1 159 . 1 . 1 16 16 LEU CA C 13 57.576 0.07 . 1 . . . . . 16 LEU CA . 53398 1 160 . 1 . 1 16 16 LEU CB C 13 40.417 0.06 . 1 . . . . . 16 LEU CB . 53398 1 161 . 1 . 1 16 16 LEU CG C 13 26.244 0.12 . 1 . . . . . 16 LEU CG . 53398 1 162 . 1 . 1 16 16 LEU CD1 C 13 24.912 0.06 . 1 . . . . . 16 LEU CD1 . 53398 1 163 . 1 . 1 16 16 LEU CD2 C 13 22.022 0.15 . 1 . . . . . 16 LEU CD2 . 53398 1 164 . 1 . 1 16 16 LEU N N 15 117.577 0.04 . 1 . . . . . 16 LEU N . 53398 1 165 . 1 . 1 17 17 GLN H H 1 7.836 0.01 . 1 . . . . . 17 GLN H . 53398 1 166 . 1 . 1 17 17 GLN HA H 1 4.242 0.02 . 1 . . . . . 17 GLN HA . 53398 1 167 . 1 . 1 17 17 GLN HB2 H 1 2.252 0.01 . 1 . . . . . 17 GLN QB . 53398 1 168 . 1 . 1 17 17 GLN HB3 H 1 2.252 0.01 . 1 . . . . . 17 GLN QB . 53398 1 169 . 1 . 1 17 17 GLN HG2 H 1 2.322 0.01 . 1 . . . . . 17 GLN QG . 53398 1 170 . 1 . 1 17 17 GLN HG3 H 1 2.322 0.01 . 1 . . . . . 17 GLN QG . 53398 1 171 . 1 . 1 17 17 GLN CA C 13 58.864 0.05 . 1 . . . . . 17 GLN CA . 53398 1 172 . 1 . 1 17 17 GLN CB C 13 28.129 0.05 . 1 . . . . . 17 GLN CB . 53398 1 173 . 1 . 1 17 17 GLN CG C 13 33.302 0.05 . 1 . . . . . 17 GLN CG . 53398 1 174 . 1 . 1 17 17 GLN N N 15 119.563 0.12 . 1 . . . . . 17 GLN N . 53398 1 175 . 1 . 1 18 18 GLU H H 1 8.950 0.00 . 1 . . . . . 18 GLU H . 53398 1 176 . 1 . 1 18 18 GLU HA H 1 4.042 0.01 . 1 . . . . . 18 GLU HA . 53398 1 177 . 1 . 1 18 18 GLU HB2 H 1 2.195 0.03 . 1 . . . . . 18 GLU HB2 . 53398 1 178 . 1 . 1 18 18 GLU HB3 H 1 2.055 0.01 . 1 . . . . . 18 GLU HB3 . 53398 1 179 . 1 . 1 18 18 GLU HG2 H 1 2.418 0.05 . 1 . . . . . 18 GLU HG2 . 53398 1 180 . 1 . 1 18 18 GLU HG3 H 1 2.263 0.01 . 1 . . . . . 18 GLU HG3 . 53398 1 181 . 1 . 1 18 18 GLU CA C 13 58.471 0.08 . 1 . . . . . 18 GLU CA . 53398 1 182 . 1 . 1 18 18 GLU CB C 13 29.431 0.06 . 1 . . . . . 18 GLU CB . 53398 1 183 . 1 . 1 18 18 GLU CG C 13 35.763 0.18 . 1 . . . . . 18 GLU CG . 53398 1 184 . 1 . 1 18 18 GLU N N 15 119.752 0.08 . 1 . . . . . 18 GLU N . 53398 1 185 . 1 . 1 19 19 GLN H H 1 8.618 0.00 . 1 . . . . . 19 GLN H . 53398 1 186 . 1 . 1 19 19 GLN HA H 1 4.132 0.02 . 1 . . . . . 19 GLN HA . 53398 1 187 . 1 . 1 19 19 GLN HB2 H 1 1.375 0.02 . 1 . . . . . 19 GLN QB . 53398 1 188 . 1 . 1 19 19 GLN HB3 H 1 1.375 0.02 . 1 . . . . . 19 GLN QB . 53398 1 189 . 1 . 1 19 19 GLN HG2 H 1 1.985 0.02 . 1 . . . . . 19 GLN HG2 . 53398 1 190 . 1 . 1 19 19 GLN HG3 H 1 1.715 0.02 . 1 . . . . . 19 GLN HG3 . 53398 1 191 . 1 . 1 19 19 GLN CA C 13 55.947 0.04 . 1 . . . . . 19 GLN CA . 53398 1 192 . 1 . 1 19 19 GLN CB C 13 27.485 0.05 . 1 . . . . . 19 GLN CB . 53398 1 193 . 1 . 1 19 19 GLN CG C 13 32.665 0.05 . 1 . . . . . 19 GLN CG . 53398 1 194 . 1 . 1 19 19 GLN N N 15 113.807 0.08 . 1 . . . . . 19 GLN N . 53398 1 195 . 1 . 1 20 20 HIS H H 1 6.644 0.01 . 1 . . . . . 20 HIS H . 53398 1 196 . 1 . 1 20 20 HIS HA H 1 5.025 0.02 . 1 . . . . . 20 HIS HA . 53398 1 197 . 1 . 1 20 20 HIS HB2 H 1 3.383 0.02 . 1 . . . . . 20 HIS HB2 . 53398 1 198 . 1 . 1 20 20 HIS HB3 H 1 3.205 0.01 . 1 . . . . . 20 HIS HB3 . 53398 1 199 . 1 . 1 20 20 HIS CA C 13 54.909 0.07 . 1 . . . . . 20 HIS CA . 53398 1 200 . 1 . 1 20 20 HIS CB C 13 31.704 0.07 . 1 . . . . . 20 HIS CB . 53398 1 201 . 1 . 1 20 20 HIS N N 15 111.798 0.07 . 1 . . . . . 20 HIS N . 53398 1 202 . 1 . 1 21 21 GLY H H 1 7.468 0.01 . 1 . . . . . 21 GLY H . 53398 1 203 . 1 . 1 21 21 GLY HA2 H 1 4.066 0.00 . 1 . . . . . 21 GLY HA2 . 53398 1 204 . 1 . 1 21 21 GLY HA3 H 1 4.029 0.00 . 1 . . . . . 21 GLY HA3 . 53398 1 205 . 1 . 1 21 21 GLY CA C 13 45.907 0.03 . 1 . . . . . 21 GLY CA . 53398 1 206 . 1 . 1 21 21 GLY N N 15 109.571 0.07 . 1 . . . . . 21 GLY N . 53398 1 207 . 1 . 1 22 22 LEU H H 1 7.623 0.00 . 1 . . . . . 22 LEU H . 53398 1 208 . 1 . 1 22 22 LEU HA H 1 4.478 0.01 . 1 . . . . . 22 LEU HA . 53398 1 209 . 1 . 1 22 22 LEU HB2 H 1 1.391 0.01 . 1 . . . . . 22 LEU HB2 . 53398 1 210 . 1 . 1 22 22 LEU HB3 H 1 1.265 0.02 . 1 . . . . . 22 LEU HB3 . 53398 1 211 . 1 . 1 22 22 LEU HG H 1 0.951 0.46 . 1 . . . . . 22 LEU HG . 53398 1 212 . 1 . 1 22 22 LEU HD11 H 1 0.564 0.03 . 1 . . . . . 22 LEU QD1 . 53398 1 213 . 1 . 1 22 22 LEU HD12 H 1 0.564 0.03 . 1 . . . . . 22 LEU QD1 . 53398 1 214 . 1 . 1 22 22 LEU HD13 H 1 0.564 0.03 . 1 . . . . . 22 LEU QD1 . 53398 1 215 . 1 . 1 22 22 LEU HD21 H 1 0.715 0.06 . 1 . . . . . 22 LEU QD2 . 53398 1 216 . 1 . 1 22 22 LEU HD22 H 1 0.715 0.06 . 1 . . . . . 22 LEU QD2 . 53398 1 217 . 1 . 1 22 22 LEU HD23 H 1 0.715 0.06 . 1 . . . . . 22 LEU QD2 . 53398 1 218 . 1 . 1 22 22 LEU CA C 13 53.317 0.12 . 1 . . . . . 22 LEU CA . 53398 1 219 . 1 . 1 22 22 LEU CB C 13 42.378 0.06 . 1 . . . . . 22 LEU CB . 53398 1 220 . 1 . 1 22 22 LEU CG C 13 24.979 0.20 . 1 . . . . . 22 LEU CG . 53398 1 221 . 1 . 1 22 22 LEU CD1 C 13 24.714 0.08 . 1 . . . . . 22 LEU CD1 . 53398 1 222 . 1 . 1 22 22 LEU CD2 C 13 22.092 0.00 . 1 . . . . . 22 LEU CD2 . 53398 1 223 . 1 . 1 22 22 LEU N N 15 120.364 0.03 . 1 . . . . . 22 LEU N . 53398 1 224 . 1 . 1 23 23 ARG H H 1 8.682 0.01 . 1 . . . . . 23 ARG H . 53398 1 225 . 1 . 1 23 23 ARG HA H 1 4.411 0.02 . 1 . . . . . 23 ARG HA . 53398 1 226 . 1 . 1 23 23 ARG HB2 H 1 1.810 0.01 . 1 . . . . . 23 ARG HB2 . 53398 1 227 . 1 . 1 23 23 ARG HB3 H 1 1.719 0.04 . 1 . . . . . 23 ARG HB3 . 53398 1 228 . 1 . 1 23 23 ARG HG2 H 1 1.651 0.03 . 1 . . . . . 23 ARG QG . 53398 1 229 . 1 . 1 23 23 ARG HG3 H 1 1.651 0.03 . 1 . . . . . 23 ARG QG . 53398 1 230 . 1 . 1 23 23 ARG HD2 H 1 3.239 0.03 . 1 . . . . . 23 ARG QD . 53398 1 231 . 1 . 1 23 23 ARG HD3 H 1 3.239 0.03 . 1 . . . . . 23 ARG QD . 53398 1 232 . 1 . 1 23 23 ARG CA C 13 53.732 0.26 . 1 . . . . . 23 ARG CA . 53398 1 233 . 1 . 1 23 23 ARG CB C 13 29.030 0.37 . 1 . . . . . 23 ARG CB . 53398 1 234 . 1 . 1 23 23 ARG CG C 13 26.118 0.08 . 1 . . . . . 23 ARG CG . 53398 1 235 . 1 . 1 23 23 ARG CD C 13 42.924 0.09 . 1 . . . . . 23 ARG CD . 53398 1 236 . 1 . 1 23 23 ARG N N 15 124.391 0.08 . 1 . . . . . 23 ARG N . 53398 1 237 . 1 . 1 24 24 VAL H H 1 7.917 0.01 . 1 . . . . . 24 VAL H . 53398 1 238 . 1 . 1 24 24 VAL HA H 1 3.653 0.02 . 1 . . . . . 24 VAL HA . 53398 1 239 . 1 . 1 24 24 VAL HB H 1 1.875 0.01 . 1 . . . . . 24 VAL HB . 53398 1 240 . 1 . 1 24 24 VAL HG11 H 1 0.847 0.01 . 1 . . . . . 24 VAL QG1 . 53398 1 241 . 1 . 1 24 24 VAL HG12 H 1 0.847 0.01 . 1 . . . . . 24 VAL QG1 . 53398 1 242 . 1 . 1 24 24 VAL HG13 H 1 0.847 0.01 . 1 . . . . . 24 VAL QG1 . 53398 1 243 . 1 . 1 24 24 VAL HG21 H 1 0.816 0.05 . 1 . . . . . 24 VAL QG2 . 53398 1 244 . 1 . 1 24 24 VAL HG22 H 1 0.816 0.05 . 1 . . . . . 24 VAL QG2 . 53398 1 245 . 1 . 1 24 24 VAL HG23 H 1 0.816 0.05 . 1 . . . . . 24 VAL QG2 . 53398 1 246 . 1 . 1 24 24 VAL CA C 13 61.355 0.58 . 1 . . . . . 24 VAL CA . 53398 1 247 . 1 . 1 24 24 VAL CB C 13 31.857 0.27 . 1 . . . . . 24 VAL CB . 53398 1 248 . 1 . 1 24 24 VAL CG1 C 13 22.280 0.00 . 1 . . . . . 24 VAL CG1 . 53398 1 249 . 1 . 1 24 24 VAL N N 15 124.875 0.08 . 1 . . . . . 24 VAL N . 53398 1 250 . 1 . 1 25 25 ARG H H 1 9.406 0.01 . 1 . . . . . 25 ARG H . 53398 1 251 . 1 . 1 25 25 ARG HA H 1 4.564 0.02 . 1 . . . . . 25 ARG HA . 53398 1 252 . 1 . 1 25 25 ARG HB2 H 1 1.680 0.03 . 1 . . . . . 25 ARG HB2 . 53398 1 253 . 1 . 1 25 25 ARG HB3 H 1 1.583 0.04 . 1 . . . . . 25 ARG HB3 . 53398 1 254 . 1 . 1 25 25 ARG HG2 H 1 1.609 0.02 . 1 . . . . . 25 ARG HG2 . 53398 1 255 . 1 . 1 25 25 ARG HG3 H 1 1.465 0.02 . 1 . . . . . 25 ARG HG3 . 53398 1 256 . 1 . 1 25 25 ARG HD2 H 1 3.222 0.03 . 1 . . . . . 25 ARG HD2 . 53398 1 257 . 1 . 1 25 25 ARG HD3 H 1 3.084 0.02 . 1 . . . . . 25 ARG HD3 . 53398 1 258 . 1 . 1 25 25 ARG CA C 13 56.329 0.08 . 1 . . . . . 25 ARG CA . 53398 1 259 . 1 . 1 25 25 ARG CB C 13 31.739 0.09 . 1 . . . . . 25 ARG CB . 53398 1 260 . 1 . 1 25 25 ARG CG C 13 26.734 0.10 . 1 . . . . . 25 ARG CG . 53398 1 261 . 1 . 1 25 25 ARG CD C 13 42.681 0.05 . 1 . . . . . 25 ARG CD . 53398 1 262 . 1 . 1 25 25 ARG N N 15 126.859 0.03 . 1 . . . . . 25 ARG N . 53398 1 263 . 1 . 1 26 26 ILE H H 1 7.586 0.00 . 1 . . . . . 26 ILE H . 53398 1 264 . 1 . 1 26 26 ILE HA H 1 4.744 0.02 . 1 . . . . . 26 ILE HA . 53398 1 265 . 1 . 1 26 26 ILE HB H 1 1.655 0.01 . 1 . . . . . 26 ILE HB . 53398 1 266 . 1 . 1 26 26 ILE HG12 H 1 1.417 0.01 . 1 . . . . . 26 ILE HG12 . 53398 1 267 . 1 . 1 26 26 ILE HG13 H 1 1.013 0.00 . 1 . . . . . 26 ILE HG13 . 53398 1 268 . 1 . 1 26 26 ILE HG21 H 1 0.831 0.02 . 1 . . . . . 26 ILE QG2 . 53398 1 269 . 1 . 1 26 26 ILE HG22 H 1 0.831 0.02 . 1 . . . . . 26 ILE QG2 . 53398 1 270 . 1 . 1 26 26 ILE HG23 H 1 0.831 0.02 . 1 . . . . . 26 ILE QG2 . 53398 1 271 . 1 . 1 26 26 ILE HD11 H 1 0.806 0.02 . 1 . . . . . 26 ILE QD1 . 53398 1 272 . 1 . 1 26 26 ILE HD12 H 1 0.806 0.02 . 1 . . . . . 26 ILE QD1 . 53398 1 273 . 1 . 1 26 26 ILE HD13 H 1 0.806 0.02 . 1 . . . . . 26 ILE QD1 . 53398 1 274 . 1 . 1 26 26 ILE CA C 13 58.983 0.15 . 1 . . . . . 26 ILE CA . 53398 1 275 . 1 . 1 26 26 ILE CB C 13 42.043 0.06 . 1 . . . . . 26 ILE CB . 53398 1 276 . 1 . 1 26 26 ILE CG1 C 13 26.275 0.25 . 1 . . . . . 26 ILE CG1 . 53398 1 277 . 1 . 1 26 26 ILE N N 15 117.597 0.05 . 1 . . . . . 26 ILE N . 53398 1 278 . 1 . 1 27 27 LEU H H 1 8.266 0.00 . 1 . . . . . 27 LEU H . 53398 1 279 . 1 . 1 27 27 LEU HA H 1 5.281 0.02 . 1 . . . . . 27 LEU HA . 53398 1 280 . 1 . 1 27 27 LEU HB2 H 1 1.877 0.03 . 1 . . . . . 27 LEU HB2 . 53398 1 281 . 1 . 1 27 27 LEU HB3 H 1 1.177 0.01 . 1 . . . . . 27 LEU HB3 . 53398 1 282 . 1 . 1 27 27 LEU HG H 1 1.463 0.01 . 1 . . . . . 27 LEU HG . 53398 1 283 . 1 . 1 27 27 LEU HD11 H 1 0.688 0.05 . 1 . . . . . 27 LEU QD1 . 53398 1 284 . 1 . 1 27 27 LEU HD12 H 1 0.688 0.05 . 1 . . . . . 27 LEU QD1 . 53398 1 285 . 1 . 1 27 27 LEU HD13 H 1 0.688 0.05 . 1 . . . . . 27 LEU QD1 . 53398 1 286 . 1 . 1 27 27 LEU HD21 H 1 0.877 0.07 . 1 . . . . . 27 LEU QD2 . 53398 1 287 . 1 . 1 27 27 LEU HD22 H 1 0.877 0.07 . 1 . . . . . 27 LEU QD2 . 53398 1 288 . 1 . 1 27 27 LEU HD23 H 1 0.877 0.07 . 1 . . . . . 27 LEU QD2 . 53398 1 289 . 1 . 1 27 27 LEU CA C 13 53.024 0.09 . 1 . . . . . 27 LEU CA . 53398 1 290 . 1 . 1 27 27 LEU CB C 13 46.759 0.06 . 1 . . . . . 27 LEU CB . 53398 1 291 . 1 . 1 27 27 LEU CG C 13 26.298 0.00 . 1 . . . . . 27 LEU CG . 53398 1 292 . 1 . 1 27 27 LEU CD1 C 13 26.026 0.08 . 1 . . . . . 27 LEU CD1 . 53398 1 293 . 1 . 1 27 27 LEU CD2 C 13 23.772 0.06 . 1 . . . . . 27 LEU CD2 . 53398 1 294 . 1 . 1 27 27 LEU N N 15 125.010 0.03 . 1 . . . . . 27 LEU N . 53398 1 295 . 1 . 1 28 28 LEU H H 1 9.549 0.01 . 1 . . . . . 28 LEU H . 53398 1 296 . 1 . 1 28 28 LEU HA H 1 5.410 0.01 . 1 . . . . . 28 LEU HA . 53398 1 297 . 1 . 1 28 28 LEU HB2 H 1 1.734 0.01 . 1 . . . . . 28 LEU HB2 . 53398 1 298 . 1 . 1 28 28 LEU HB3 H 1 1.685 0.00 . 1 . . . . . 28 LEU HB3 . 53398 1 299 . 1 . 1 28 28 LEU HG H 1 1.449 0.03 . 1 . . . . . 28 LEU HG . 53398 1 300 . 1 . 1 28 28 LEU HD11 H 1 0.807 0.02 . 1 . . . . . 28 LEU QD1 . 53398 1 301 . 1 . 1 28 28 LEU HD12 H 1 0.807 0.02 . 1 . . . . . 28 LEU QD1 . 53398 1 302 . 1 . 1 28 28 LEU HD13 H 1 0.807 0.02 . 1 . . . . . 28 LEU QD1 . 53398 1 303 . 1 . 1 28 28 LEU HD21 H 1 0.792 0.02 . 1 . . . . . 28 LEU QD2 . 53398 1 304 . 1 . 1 28 28 LEU HD22 H 1 0.792 0.02 . 1 . . . . . 28 LEU QD2 . 53398 1 305 . 1 . 1 28 28 LEU HD23 H 1 0.792 0.02 . 1 . . . . . 28 LEU QD2 . 53398 1 306 . 1 . 1 28 28 LEU CA C 13 53.832 0.07 . 1 . . . . . 28 LEU CA . 53398 1 307 . 1 . 1 28 28 LEU CB C 13 46.034 0.00 . 1 . . . . . 28 LEU CB . 53398 1 308 . 1 . 1 28 28 LEU CG C 13 26.298 0.00 . 1 . . . . . 28 LEU CG . 53398 1 309 . 1 . 1 28 28 LEU CD1 C 13 25.341 0.03 . 1 . . . . . 28 LEU CD1 . 53398 1 310 . 1 . 1 28 28 LEU CD2 C 13 24.351 0.01 . 1 . . . . . 28 LEU CD2 . 53398 1 311 . 1 . 1 28 28 LEU N N 15 127.876 0.06 . 1 . . . . . 28 LEU N . 53398 1 312 . 1 . 1 29 29 HIS H H 1 8.715 0.00 . 1 . . . . . 29 HIS H . 53398 1 313 . 1 . 1 29 29 HIS HA H 1 5.017 0.01 . 1 . . . . . 29 HIS HA . 53398 1 314 . 1 . 1 29 29 HIS HB2 H 1 3.052 0.01 . 1 . . . . . 29 HIS HB2 . 53398 1 315 . 1 . 1 29 29 HIS HB3 H 1 2.787 0.01 . 1 . . . . . 29 HIS HB3 . 53398 1 316 . 1 . 1 29 29 HIS CA C 13 55.267 0.12 . 1 . . . . . 29 HIS CA . 53398 1 317 . 1 . 1 29 29 HIS CB C 13 30.504 0.00 . 1 . . . . . 29 HIS CB . 53398 1 318 . 1 . 1 29 29 HIS N N 15 118.881 0.06 . 1 . . . . . 29 HIS N . 53398 1 319 . 1 . 1 31 31 SER HA H 1 4.502 0.03 . 1 . . . . . 31 SER HA . 53398 1 320 . 1 . 1 31 31 SER HB2 H 1 4.078 0.05 . 1 . . . . . 31 SER HB2 . 53398 1 321 . 1 . 1 31 31 SER HB3 H 1 3.935 0.02 . 1 . . . . . 31 SER HB3 . 53398 1 322 . 1 . 1 31 31 SER CA C 13 57.715 0.01 . 1 . . . . . 31 SER CA . 53398 1 323 . 1 . 1 31 31 SER CB C 13 62.886 0.06 . 1 . . . . . 31 SER CB . 53398 1 324 . 1 . 1 32 32 ALA H H 1 8.476 0.01 . 1 . . . . . 32 ALA H . 53398 1 325 . 1 . 1 32 32 ALA HA H 1 4.373 0.10 . 1 . . . . . 32 ALA HA . 53398 1 326 . 1 . 1 32 32 ALA HB1 H 1 0.927 0.75 . 1 . . . . . 32 ALA HB# . 53398 1 327 . 1 . 1 32 32 ALA HB2 H 1 0.927 0.75 . 1 . . . . . 32 ALA HB# . 53398 1 328 . 1 . 1 32 32 ALA HB3 H 1 0.927 0.75 . 1 . . . . . 32 ALA HB# . 53398 1 329 . 1 . 1 32 32 ALA CA C 13 48.488 0.00 . 1 . . . . . 32 ALA CA . 53398 1 330 . 1 . 1 32 32 ALA CB C 13 18.477 0.00 . 1 . . . . . 32 ALA CB . 53398 1 331 . 1 . 1 32 32 ALA N N 15 126.593 0.14 . 1 . . . . . 32 ALA N . 53398 1 332 . 1 . 1 33 33 LEU H H 1 8.616 0.00 . 1 . . . . . 33 LEU H . 53398 1 333 . 1 . 1 33 33 LEU HA H 1 4.948 0.33 . 1 . . . . . 33 LEU HA . 53398 1 334 . 1 . 1 33 33 LEU HB2 H 1 1.914 0.09 . 1 . . . . . 33 LEU HB2 . 53398 1 335 . 1 . 1 33 33 LEU HB3 H 1 1.253 0.19 . 1 . . . . . 33 LEU HB3 . 53398 1 336 . 1 . 1 33 33 LEU HG H 1 1.465 0.02 . 1 . . . . . 33 LEU HG . 53398 1 337 . 1 . 1 33 33 LEU HD11 H 1 0.800 0.15 . 1 . . . . . 33 LEU QD1 . 53398 1 338 . 1 . 1 33 33 LEU HD12 H 1 0.800 0.15 . 1 . . . . . 33 LEU QD1 . 53398 1 339 . 1 . 1 33 33 LEU HD13 H 1 0.800 0.15 . 1 . . . . . 33 LEU QD1 . 53398 1 340 . 1 . 1 33 33 LEU HD21 H 1 0.882 0.02 . 1 . . . . . 33 LEU QD2 . 53398 1 341 . 1 . 1 33 33 LEU HD22 H 1 0.882 0.02 . 1 . . . . . 33 LEU QD2 . 53398 1 342 . 1 . 1 33 33 LEU HD23 H 1 0.882 0.02 . 1 . . . . . 33 LEU QD2 . 53398 1 343 . 1 . 1 33 33 LEU CA C 13 53.261 0.70 . 1 . . . . . 33 LEU CA . 53398 1 344 . 1 . 1 33 33 LEU CB C 13 46.546 0.00 . 1 . . . . . 33 LEU CB . 53398 1 345 . 1 . 1 33 33 LEU CG C 13 26.267 0.19 . 1 . . . . . 33 LEU CG . 53398 1 346 . 1 . 1 33 33 LEU CD1 C 13 25.823 0.06 . 1 . . . . . 33 LEU CD1 . 53398 1 347 . 1 . 1 33 33 LEU CD2 C 13 23.532 0.09 . 1 . . . . . 33 LEU CD2 . 53398 1 348 . 1 . 1 33 33 LEU N N 15 126.361 0.04 . 1 . . . . . 33 LEU N . 53398 1 349 . 1 . 1 34 34 LEU H H 1 8.858 0.23 . 1 . . . . . 34 LEU H . 53398 1 350 . 1 . 1 34 34 LEU HA H 1 4.876 0.51 . 1 . . . . . 34 LEU HA . 53398 1 351 . 1 . 1 34 34 LEU HB2 H 1 1.667 0.09 . 1 . . . . . 34 LEU QB . 53398 1 352 . 1 . 1 34 34 LEU HB3 H 1 1.667 0.09 . 1 . . . . . 34 LEU QB . 53398 1 353 . 1 . 1 34 34 LEU HG H 1 1.785 0.01 . 1 . . . . . 34 LEU HG . 53398 1 354 . 1 . 1 34 34 LEU HD11 H 1 0.822 0.01 . 1 . . . . . 34 LEU QD1 . 53398 1 355 . 1 . 1 34 34 LEU HD12 H 1 0.822 0.01 . 1 . . . . . 34 LEU QD1 . 53398 1 356 . 1 . 1 34 34 LEU HD13 H 1 0.822 0.01 . 1 . . . . . 34 LEU QD1 . 53398 1 357 . 1 . 1 34 34 LEU HD21 H 1 0.797 0.01 . 1 . . . . . 34 LEU QD2 . 53398 1 358 . 1 . 1 34 34 LEU HD22 H 1 0.797 0.01 . 1 . . . . . 34 LEU QD2 . 53398 1 359 . 1 . 1 34 34 LEU HD23 H 1 0.797 0.01 . 1 . . . . . 34 LEU QD2 . 53398 1 360 . 1 . 1 34 34 LEU CA C 13 53.988 0.00 . 1 . . . . . 34 LEU CA . 53398 1 361 . 1 . 1 34 34 LEU CB C 13 45.899 0.00 . 1 . . . . . 34 LEU CB . 53398 1 362 . 1 . 1 34 34 LEU CG C 13 27.592 0.00 . 1 . . . . . 34 LEU CG . 53398 1 363 . 1 . 1 34 34 LEU CD1 C 13 25.738 0.07 . 1 . . . . . 34 LEU CD1 . 53398 1 364 . 1 . 1 34 34 LEU CD2 C 13 23.650 0.07 . 1 . . . . . 34 LEU CD2 . 53398 1 365 . 1 . 1 34 34 LEU N N 15 126.125 0.08 . 1 . . . . . 34 LEU N . 53398 1 366 . 1 . 1 35 35 TYR H H 1 7.427 0.01 . 1 . . . . . 35 TYR H . 53398 1 367 . 1 . 1 35 35 TYR HA H 1 4.395 0.01 . 1 . . . . . 35 TYR HA . 53398 1 368 . 1 . 1 35 35 TYR HB2 H 1 3.226 0.02 . 1 . . . . . 35 TYR QB . 53398 1 369 . 1 . 1 35 35 TYR HB3 H 1 3.226 0.02 . 1 . . . . . 35 TYR QB . 53398 1 370 . 1 . 1 35 35 TYR HD1 H 1 7.308 0.00 . 1 . . . . . 35 TYR HD1 . 53398 1 371 . 1 . 1 35 35 TYR CA C 13 55.282 0.00 . 1 . . . . . 35 TYR CA . 53398 1 372 . 1 . 1 35 35 TYR N N 15 113.793 0.07 . 1 . . . . . 35 TYR N . 53398 1 373 . 1 . 1 36 36 ALA H H 1 9.215 0.01 . 1 . . . . . 36 ALA H . 53398 1 374 . 1 . 1 42 42 GLU HA H 1 4.120 0.02 . 1 . . . . . 42 GLU HA . 53398 1 375 . 1 . 1 42 42 GLU HB2 H 1 2.083 0.05 . 1 . . . . . 42 GLU HB2 . 53398 1 376 . 1 . 1 42 42 GLU HB3 H 1 1.971 0.03 . 1 . . . . . 42 GLU HB3 . 53398 1 377 . 1 . 1 42 42 GLU HG2 H 1 2.392 0.02 . 1 . . . . . 42 GLU HG2 . 53398 1 378 . 1 . 1 42 42 GLU HG3 H 1 2.323 0.02 . 1 . . . . . 42 GLU HG3 . 53398 1 379 . 1 . 1 42 42 GLU CA C 13 59.227 0.07 . 1 . . . . . 42 GLU CA . 53398 1 380 . 1 . 1 42 42 GLU CB C 13 27.853 0.07 . 1 . . . . . 42 GLU CB . 53398 1 381 . 1 . 1 42 42 GLU CG C 13 35.917 0.06 . 1 . . . . . 42 GLU CG . 53398 1 382 . 1 . 1 43 43 LYS H H 1 7.701 0.01 . 1 . . . . . 43 LYS H . 53398 1 383 . 1 . 1 43 43 LYS HA H 1 4.129 0.02 . 1 . . . . . 43 LYS HA . 53398 1 384 . 1 . 1 43 43 LYS HB2 H 1 1.742 0.02 . 1 . . . . . 43 LYS HB2 . 53398 1 385 . 1 . 1 43 43 LYS HB3 H 1 1.601 0.01 . 1 . . . . . 43 LYS HB3 . 53398 1 386 . 1 . 1 43 43 LYS HG2 H 1 0.667 0.02 . 1 . . . . . 43 LYS HG2 . 53398 1 387 . 1 . 1 43 43 LYS HD2 H 1 1.148 0.02 . 1 . . . . . 43 LYS HD2 . 53398 1 388 . 1 . 1 43 43 LYS CA C 13 57.613 0.10 . 1 . . . . . 43 LYS CA . 53398 1 389 . 1 . 1 43 43 LYS CB C 13 31.057 0.06 . 1 . . . . . 43 LYS CB . 53398 1 390 . 1 . 1 43 43 LYS CG C 13 23.729 0.17 . 1 . . . . . 43 LYS CG . 53398 1 391 . 1 . 1 43 43 LYS CD C 13 27.346 0.29 . 1 . . . . . 43 LYS CD . 53398 1 392 . 1 . 1 43 43 LYS CE C 13 40.211 0.00 . 1 . . . . . 43 LYS CE . 53398 1 393 . 1 . 1 43 43 LYS N N 15 122.104 0.09 . 1 . . . . . 43 LYS N . 53398 1 394 . 1 . 1 44 44 GLN H H 1 8.696 0.01 . 1 . . . . . 44 GLN H . 53398 1 395 . 1 . 1 44 44 GLN HA H 1 4.143 0.02 . 1 . . . . . 44 GLN HA . 53398 1 396 . 1 . 1 44 44 GLN HB2 H 1 2.521 0.04 . 1 . . . . . 44 GLN HB2 . 53398 1 397 . 1 . 1 44 44 GLN HB3 H 1 2.431 0.04 . 1 . . . . . 44 GLN HB3 . 53398 1 398 . 1 . 1 44 44 GLN HG2 H 1 2.967 0.02 . 1 . . . . . 44 GLN HG2 . 53398 1 399 . 1 . 1 44 44 GLN HG3 H 1 2.361 0.02 . 1 . . . . . 44 GLN HG3 . 53398 1 400 . 1 . 1 44 44 GLN CA C 13 60.799 0.04 . 1 . . . . . 44 GLN CA . 53398 1 401 . 1 . 1 44 44 GLN CB C 13 27.210 0.10 . 1 . . . . . 44 GLN CB . 53398 1 402 . 1 . 1 44 44 GLN CG C 13 34.941 0.08 . 1 . . . . . 44 GLN CG . 53398 1 403 . 1 . 1 44 44 GLN N N 15 117.863 0.07 . 1 . . . . . 44 GLN N . 53398 1 404 . 1 . 1 45 45 ALA H H 1 8.406 0.00 . 1 . . . . . 45 ALA H . 53398 1 405 . 1 . 1 45 45 ALA HA H 1 4.302 0.02 . 1 . . . . . 45 ALA HA . 53398 1 406 . 1 . 1 45 45 ALA HB1 H 1 1.621 0.02 . 1 . . . . . 45 ALA HB# . 53398 1 407 . 1 . 1 45 45 ALA HB2 H 1 1.621 0.02 . 1 . . . . . 45 ALA HB# . 53398 1 408 . 1 . 1 45 45 ALA HB3 H 1 1.621 0.02 . 1 . . . . . 45 ALA HB# . 53398 1 409 . 1 . 1 45 45 ALA CA C 13 53.735 0.13 . 1 . . . . . 45 ALA CA . 53398 1 410 . 1 . 1 45 45 ALA CB C 13 18.875 0.00 . 1 . . . . . 45 ALA CB . 53398 1 411 . 1 . 1 45 45 ALA N N 15 118.976 0.12 . 1 . . . . . 45 ALA N . 53398 1 412 . 1 . 1 46 46 GLN H H 1 7.444 0.01 . 1 . . . . . 46 GLN H . 53398 1 413 . 1 . 1 46 46 GLN HA H 1 4.307 0.02 . 1 . . . . . 46 GLN HA . 53398 1 414 . 1 . 1 46 46 GLN HB2 H 1 2.321 0.01 . 1 . . . . . 46 GLN HB2 . 53398 1 415 . 1 . 1 46 46 GLN HB3 H 1 2.283 0.03 . 1 . . . . . 46 GLN HB3 . 53398 1 416 . 1 . 1 46 46 GLN HG2 H 1 2.719 0.02 . 1 . . . . . 46 GLN HG2 . 53398 1 417 . 1 . 1 46 46 GLN HG3 H 1 2.510 0.02 . 1 . . . . . 46 GLN HG3 . 53398 1 418 . 1 . 1 46 46 GLN CA C 13 56.280 0.12 . 1 . . . . . 46 GLN CA . 53398 1 419 . 1 . 1 46 46 GLN CB C 13 27.848 0.07 . 1 . . . . . 46 GLN CB . 53398 1 420 . 1 . 1 46 46 GLN CG C 13 33.212 0.13 . 1 . . . . . 46 GLN CG . 53398 1 421 . 1 . 1 46 46 GLN N N 15 113.817 0.10 . 1 . . . . . 46 GLN N . 53398 1 422 . 1 . 1 47 47 HIS H H 1 7.818 0.01 . 1 . . . . . 47 HIS H . 53398 1 423 . 1 . 1 47 47 HIS HA H 1 4.951 0.02 . 1 . . . . . 47 HIS HA . 53398 1 424 . 1 . 1 47 47 HIS HB2 H 1 3.510 0.02 . 1 . . . . . 47 HIS HB2 . 53398 1 425 . 1 . 1 47 47 HIS HB3 H 1 3.338 0.01 . 1 . . . . . 47 HIS HB3 . 53398 1 426 . 1 . 1 47 47 HIS CA C 13 57.371 0.19 . 1 . . . . . 47 HIS CA . 53398 1 427 . 1 . 1 47 47 HIS CB C 13 30.329 0.08 . 1 . . . . . 47 HIS CB . 53398 1 428 . 1 . 1 47 47 HIS N N 15 116.469 0.05 . 1 . . . . . 47 HIS N . 53398 1 429 . 1 . 1 48 48 LEU H H 1 8.421 0.01 . 1 . . . . . 48 LEU H . 53398 1 430 . 1 . 1 48 48 LEU HA H 1 4.297 0.00 . 1 . . . . . 48 LEU HA . 53398 1 431 . 1 . 1 48 48 LEU HB2 H 1 2.042 0.00 . 1 . . . . . 48 LEU HB2 . 53398 1 432 . 1 . 1 48 48 LEU HB3 H 1 1.601 0.01 . 1 . . . . . 48 LEU HB3 . 53398 1 433 . 1 . 1 48 48 LEU HG H 1 1.093 0.01 . 1 . . . . . 48 LEU HG . 53398 1 434 . 1 . 1 48 48 LEU HD21 H 1 0.773 0.00 . 1 . . . . . 48 LEU QD2 . 53398 1 435 . 1 . 1 48 48 LEU HD22 H 1 0.773 0.00 . 1 . . . . . 48 LEU QD2 . 53398 1 436 . 1 . 1 48 48 LEU HD23 H 1 0.773 0.00 . 1 . . . . . 48 LEU QD2 . 53398 1 437 . 1 . 1 48 48 LEU CA C 13 54.312 0.00 . 1 . . . . . 48 LEU CA . 53398 1 438 . 1 . 1 48 48 LEU CB C 13 39.752 0.00 . 1 . . . . . 48 LEU CB . 53398 1 439 . 1 . 1 48 48 LEU CG C 13 24.545 0.00 . 1 . . . . . 48 LEU CG . 53398 1 440 . 1 . 1 48 48 LEU CD2 C 13 22.928 0.00 . 1 . . . . . 48 LEU CD2 . 53398 1 441 . 1 . 1 48 48 LEU N N 15 118.869 0.06 . 1 . . . . . 48 LEU N . 53398 1 442 . 1 . 1 49 49 PRO HA H 1 4.877 0.02 . 1 . . . . . 49 PRO HA . 53398 1 443 . 1 . 1 49 49 PRO HB2 H 1 2.324 0.02 . 1 . . . . . 49 PRO HB2 . 53398 1 444 . 1 . 1 49 49 PRO HB3 H 1 2.040 0.01 . 1 . . . . . 49 PRO HB3 . 53398 1 445 . 1 . 1 49 49 PRO HG2 H 1 2.116 0.01 . 1 . . . . . 49 PRO HG2 . 53398 1 446 . 1 . 1 49 49 PRO HG3 H 1 1.917 0.01 . 1 . . . . . 49 PRO HG3 . 53398 1 447 . 1 . 1 49 49 PRO HD2 H 1 3.728 0.01 . 1 . . . . . 49 PRO HD2 . 53398 1 448 . 1 . 1 49 49 PRO HD3 H 1 3.366 0.02 . 1 . . . . . 49 PRO HD3 . 53398 1 449 . 1 . 1 49 49 PRO CB C 13 30.744 0.07 . 1 . . . . . 49 PRO CB . 53398 1 450 . 1 . 1 49 49 PRO CG C 13 26.426 0.09 . 1 . . . . . 49 PRO CG . 53398 1 451 . 1 . 1 49 49 PRO CD C 13 49.831 0.15 . 1 . . . . . 49 PRO CD . 53398 1 452 . 1 . 1 50 50 LEU H H 1 7.631 0.00 . 1 . . . . . 50 LEU H . 53398 1 453 . 1 . 1 50 50 LEU HA H 1 4.542 0.02 . 1 . . . . . 50 LEU HA . 53398 1 454 . 1 . 1 50 50 LEU HB2 H 1 1.990 0.01 . 1 . . . . . 50 LEU HB2 . 53398 1 455 . 1 . 1 50 50 LEU HB3 H 1 1.499 0.02 . 1 . . . . . 50 LEU HB3 . 53398 1 456 . 1 . 1 50 50 LEU HG H 1 1.786 0.01 . 1 . . . . . 50 LEU HG . 53398 1 457 . 1 . 1 50 50 LEU HD11 H 1 0.983 0.02 . 1 . . . . . 50 LEU QD1 . 53398 1 458 . 1 . 1 50 50 LEU HD12 H 1 0.983 0.02 . 1 . . . . . 50 LEU QD1 . 53398 1 459 . 1 . 1 50 50 LEU HD13 H 1 0.983 0.02 . 1 . . . . . 50 LEU QD1 . 53398 1 460 . 1 . 1 50 50 LEU HD21 H 1 0.890 0.01 . 1 . . . . . 50 LEU QD2 . 53398 1 461 . 1 . 1 50 50 LEU HD22 H 1 0.890 0.01 . 1 . . . . . 50 LEU QD2 . 53398 1 462 . 1 . 1 50 50 LEU HD23 H 1 0.890 0.01 . 1 . . . . . 50 LEU QD2 . 53398 1 463 . 1 . 1 50 50 LEU CA C 13 53.627 0.09 . 1 . . . . . 50 LEU CA . 53398 1 464 . 1 . 1 50 50 LEU CB C 13 41.952 0.09 . 1 . . . . . 50 LEU CB . 53398 1 465 . 1 . 1 50 50 LEU CG C 13 27.175 0.08 . 1 . . . . . 50 LEU CG . 53398 1 466 . 1 . 1 50 50 LEU CD1 C 13 25.265 0.17 . 1 . . . . . 50 LEU CD1 . 53398 1 467 . 1 . 1 50 50 LEU CD2 C 13 22.591 0.05 . 1 . . . . . 50 LEU CD2 . 53398 1 468 . 1 . 1 50 50 LEU N N 15 119.741 0.07 . 1 . . . . . 50 LEU N . 53398 1 469 . 1 . 1 51 51 ARG H H 1 8.792 0.00 . 1 . . . . . 51 ARG H . 53398 1 470 . 1 . 1 51 51 ARG HA H 1 4.473 0.01 . 1 . . . . . 51 ARG HA . 53398 1 471 . 1 . 1 51 51 ARG HB2 H 1 1.873 0.04 . 1 . . . . . 51 ARG HB2 . 53398 1 472 . 1 . 1 51 51 ARG HB3 H 1 1.786 0.08 . 1 . . . . . 51 ARG HB3 . 53398 1 473 . 1 . 1 51 51 ARG HG2 H 1 1.628 0.19 . 1 . . . . . 51 ARG QG . 53398 1 474 . 1 . 1 51 51 ARG HG3 H 1 1.628 0.19 . 1 . . . . . 51 ARG QG . 53398 1 475 . 1 . 1 51 51 ARG HD2 H 1 3.200 0.00 . 1 . . . . . 51 ARG QD . 53398 1 476 . 1 . 1 51 51 ARG HD3 H 1 3.200 0.00 . 1 . . . . . 51 ARG QD . 53398 1 477 . 1 . 1 51 51 ARG CA C 13 55.606 0.00 . 1 . . . . . 51 ARG CA . 53398 1 478 . 1 . 1 51 51 ARG CB C 13 30.046 0.00 . 1 . . . . . 51 ARG CB . 53398 1 479 . 1 . 1 51 51 ARG CG C 13 25.839 0.00 . 1 . . . . . 51 ARG CG . 53398 1 480 . 1 . 1 51 51 ARG CD C 13 42.340 0.00 . 1 . . . . . 51 ARG CD . 53398 1 481 . 1 . 1 51 51 ARG N N 15 119.139 0.07 . 1 . . . . . 51 ARG N . 53398 1 482 . 1 . 1 52 52 VAL H H 1 8.424 0.01 . 1 . . . . . 52 VAL H . 53398 1 483 . 1 . 1 52 52 VAL HA H 1 3.417 0.02 . 1 . . . . . 52 VAL HA . 53398 1 484 . 1 . 1 52 52 VAL HB H 1 2.045 0.02 . 1 . . . . . 52 VAL HB . 53398 1 485 . 1 . 1 52 52 VAL HG11 H 1 0.694 0.01 . 1 . . . . . 52 VAL QG1 . 53398 1 486 . 1 . 1 52 52 VAL HG12 H 1 0.694 0.01 . 1 . . . . . 52 VAL QG1 . 53398 1 487 . 1 . 1 52 52 VAL HG13 H 1 0.694 0.01 . 1 . . . . . 52 VAL QG1 . 53398 1 488 . 1 . 1 52 52 VAL HG21 H 1 0.324 0.02 . 1 . . . . . 52 VAL QG2 . 53398 1 489 . 1 . 1 52 52 VAL HG22 H 1 0.324 0.02 . 1 . . . . . 52 VAL QG2 . 53398 1 490 . 1 . 1 52 52 VAL HG23 H 1 0.324 0.02 . 1 . . . . . 52 VAL QG2 . 53398 1 491 . 1 . 1 52 52 VAL CA C 13 61.491 0.12 . 1 . . . . . 52 VAL CA . 53398 1 492 . 1 . 1 52 52 VAL CB C 13 29.764 0.09 . 1 . . . . . 52 VAL CB . 53398 1 493 . 1 . 1 52 52 VAL CG1 C 13 22.012 0.12 . 1 . . . . . 52 VAL CG1 . 53398 1 494 . 1 . 1 52 52 VAL CG2 C 13 25.839 0.00 . 1 . . . . . 52 VAL CG2 . 53398 1 495 . 1 . 1 52 52 VAL N N 15 123.759 0.09 . 1 . . . . . 52 VAL N . 53398 1 496 . 1 . 1 53 53 THR H H 1 9.633 0.00 . 1 . . . . . 53 THR H . 53398 1 497 . 1 . 1 53 53 THR HA H 1 3.686 0.08 . 1 . . . . . 53 THR HA . 53398 1 498 . 1 . 1 53 53 THR HB H 1 4.014 0.23 . 1 . . . . . 53 THR HB . 53398 1 499 . 1 . 1 53 53 THR HG21 H 1 1.617 0.02 . 1 . . . . . 53 THR QG2 . 53398 1 500 . 1 . 1 53 53 THR HG22 H 1 1.617 0.02 . 1 . . . . . 53 THR QG2 . 53398 1 501 . 1 . 1 53 53 THR HG23 H 1 1.617 0.02 . 1 . . . . . 53 THR QG2 . 53398 1 502 . 1 . 1 53 53 THR CA C 13 62.724 0.00 . 1 . . . . . 53 THR CA . 53398 1 503 . 1 . 1 53 53 THR CB C 13 69.223 0.00 . 1 . . . . . 53 THR CB . 53398 1 504 . 1 . 1 53 53 THR CG2 C 13 23.898 0.00 . 1 . . . . . 53 THR CG2 . 53398 1 505 . 1 . 1 53 53 THR N N 15 110.070 0.05 . 1 . . . . . 53 THR N . 53398 1 506 . 1 . 1 54 54 GLU H H 1 6.550 0.01 . 1 . . . . . 54 GLU H . 53398 1 507 . 1 . 1 54 54 GLU HA H 1 4.246 0.02 . 1 . . . . . 54 GLU HA . 53398 1 508 . 1 . 1 54 54 GLU HB2 H 1 2.320 0.02 . 1 . . . . . 54 GLU HB2 . 53398 1 509 . 1 . 1 54 54 GLU HB3 H 1 2.208 0.03 . 1 . . . . . 54 GLU HB3 . 53398 1 510 . 1 . 1 54 54 GLU HG2 H 1 2.368 0.02 . 1 . . . . . 54 GLU HG2 . 53398 1 511 . 1 . 1 54 54 GLU HG3 H 1 2.246 0.02 . 1 . . . . . 54 GLU HG3 . 53398 1 512 . 1 . 1 54 54 GLU CA C 13 57.753 0.09 . 1 . . . . . 54 GLU CA . 53398 1 513 . 1 . 1 54 54 GLU CB C 13 29.304 0.09 . 1 . . . . . 54 GLU CB . 53398 1 514 . 1 . 1 54 54 GLU CG C 13 35.621 0.07 . 1 . . . . . 54 GLU CG . 53398 1 515 . 1 . 1 54 54 GLU N N 15 122.823 0.09 . 1 . . . . . 54 GLU N . 53398 1 516 . 1 . 1 55 55 LEU H H 1 8.423 0.01 . 1 . . . . . 55 LEU H . 53398 1 517 . 1 . 1 55 55 LEU HA H 1 4.016 0.02 . 1 . . . . . 55 LEU HA . 53398 1 518 . 1 . 1 55 55 LEU HB2 H 1 1.876 0.02 . 1 . . . . . 55 LEU HB2 . 53398 1 519 . 1 . 1 55 55 LEU HB3 H 1 1.693 0.02 . 1 . . . . . 55 LEU HB3 . 53398 1 520 . 1 . 1 55 55 LEU HG H 1 1.615 0.03 . 1 . . . . . 55 LEU HG . 53398 1 521 . 1 . 1 55 55 LEU HD11 H 1 0.905 0.02 . 1 . . . . . 55 LEU QD1 . 53398 1 522 . 1 . 1 55 55 LEU HD12 H 1 0.905 0.02 . 1 . . . . . 55 LEU QD1 . 53398 1 523 . 1 . 1 55 55 LEU HD13 H 1 0.905 0.02 . 1 . . . . . 55 LEU QD1 . 53398 1 524 . 1 . 1 55 55 LEU HD21 H 1 0.874 0.02 . 1 . . . . . 55 LEU QD2 . 53398 1 525 . 1 . 1 55 55 LEU HD22 H 1 0.874 0.02 . 1 . . . . . 55 LEU QD2 . 53398 1 526 . 1 . 1 55 55 LEU HD23 H 1 0.874 0.02 . 1 . . . . . 55 LEU QD2 . 53398 1 527 . 1 . 1 55 55 LEU CA C 13 56.856 0.11 . 1 . . . . . 55 LEU CA . 53398 1 528 . 1 . 1 55 55 LEU CB C 13 41.547 0.22 . 1 . . . . . 55 LEU CB . 53398 1 529 . 1 . 1 55 55 LEU CG C 13 24.923 0.86 . 1 . . . . . 55 LEU CG . 53398 1 530 . 1 . 1 55 55 LEU CD1 C 13 24.680 0.00 . 1 . . . . . 55 LEU CD1 . 53398 1 531 . 1 . 1 55 55 LEU CD2 C 13 23.233 0.16 . 1 . . . . . 55 LEU CD2 . 53398 1 532 . 1 . 1 55 55 LEU N N 15 122.226 0.06 . 1 . . . . . 55 LEU N . 53398 1 533 . 1 . 1 56 56 VAL H H 1 8.576 0.00 . 1 . . . . . 56 VAL H . 53398 1 534 . 1 . 1 56 56 VAL HA H 1 3.412 0.01 . 1 . . . . . 56 VAL HA . 53398 1 535 . 1 . 1 56 56 VAL HB H 1 2.079 0.01 . 1 . . . . . 56 VAL HB . 53398 1 536 . 1 . 1 56 56 VAL HG11 H 1 0.840 0.02 . 1 . . . . . 56 VAL QG1 . 53398 1 537 . 1 . 1 56 56 VAL HG12 H 1 0.840 0.02 . 1 . . . . . 56 VAL QG1 . 53398 1 538 . 1 . 1 56 56 VAL HG13 H 1 0.840 0.02 . 1 . . . . . 56 VAL QG1 . 53398 1 539 . 1 . 1 56 56 VAL HG21 H 1 0.832 0.01 . 1 . . . . . 56 VAL QG2 . 53398 1 540 . 1 . 1 56 56 VAL HG22 H 1 0.832 0.01 . 1 . . . . . 56 VAL QG2 . 53398 1 541 . 1 . 1 56 56 VAL HG23 H 1 0.832 0.01 . 1 . . . . . 56 VAL QG2 . 53398 1 542 . 1 . 1 56 56 VAL CA C 13 62.115 0.08 . 1 . . . . . 56 VAL CA . 53398 1 543 . 1 . 1 56 56 VAL CB C 13 30.717 0.09 . 1 . . . . . 56 VAL CB . 53398 1 544 . 1 . 1 56 56 VAL CG1 C 13 23.063 0.00 . 1 . . . . . 56 VAL CG1 . 53398 1 545 . 1 . 1 56 56 VAL CG2 C 13 25.516 0.00 . 1 . . . . . 56 VAL CG2 . 53398 1 546 . 1 . 1 56 56 VAL N N 15 118.027 0.06 . 1 . . . . . 56 VAL N . 53398 1 547 . 1 . 1 57 57 GLN H H 1 7.977 0.00 . 1 . . . . . 57 GLN H . 53398 1 548 . 1 . 1 57 57 GLN HA H 1 4.024 0.02 . 1 . . . . . 57 GLN HA . 53398 1 549 . 1 . 1 57 57 GLN HB2 H 1 2.264 0.03 . 1 . . . . . 57 GLN HB2 . 53398 1 550 . 1 . 1 57 57 GLN HB3 H 1 2.075 0.02 . 1 . . . . . 57 GLN HB3 . 53398 1 551 . 1 . 1 57 57 GLN HG2 H 1 2.285 0.03 . 1 . . . . . 57 GLN QG . 53398 1 552 . 1 . 1 57 57 GLN HG3 H 1 2.285 0.03 . 1 . . . . . 57 GLN QG . 53398 1 553 . 1 . 1 57 57 GLN CA C 13 58.766 0.12 . 1 . . . . . 57 GLN CA . 53398 1 554 . 1 . 1 57 57 GLN CB C 13 27.337 0.22 . 1 . . . . . 57 GLN CB . 53398 1 555 . 1 . 1 57 57 GLN CG C 13 32.659 0.05 . 1 . . . . . 57 GLN CG . 53398 1 556 . 1 . 1 57 57 GLN N N 15 122.631 0.06 . 1 . . . . . 57 GLN N . 53398 1 557 . 1 . 1 58 58 GLN H H 1 8.458 0.01 . 1 . . . . . 58 GLN H . 53398 1 558 . 1 . 1 58 58 GLN HA H 1 4.051 0.01 . 1 . . . . . 58 GLN HA . 53398 1 559 . 1 . 1 58 58 GLN HB2 H 1 2.237 0.02 . 1 . . . . . 58 GLN QB . 53398 1 560 . 1 . 1 58 58 GLN HB3 H 1 2.237 0.02 . 1 . . . . . 58 GLN QB . 53398 1 561 . 1 . 1 58 58 GLN HG2 H 1 2.561 0.02 . 1 . . . . . 58 GLN HG2 . 53398 1 562 . 1 . 1 58 58 GLN HG3 H 1 2.381 0.02 . 1 . . . . . 58 GLN HG3 . 53398 1 563 . 1 . 1 58 58 GLN CA C 13 58.230 0.08 . 1 . . . . . 58 GLN CA . 53398 1 564 . 1 . 1 58 58 GLN CB C 13 27.900 0.20 . 1 . . . . . 58 GLN CB . 53398 1 565 . 1 . 1 58 58 GLN CG C 13 32.992 0.07 . 1 . . . . . 58 GLN CG . 53398 1 566 . 1 . 1 58 58 GLN N N 15 119.910 0.04 . 1 . . . . . 58 GLN N . 53398 1 567 . 1 . 1 59 59 LEU H H 1 8.407 0.00 . 1 . . . . . 59 LEU H . 53398 1 568 . 1 . 1 59 59 LEU HA H 1 4.417 0.02 . 1 . . . . . 59 LEU HA . 53398 1 569 . 1 . 1 59 59 LEU HB2 H 1 1.889 0.02 . 1 . . . . . 59 LEU HB2 . 53398 1 570 . 1 . 1 59 59 LEU HB3 H 1 1.647 0.02 . 1 . . . . . 59 LEU HB3 . 53398 1 571 . 1 . 1 59 59 LEU HG H 1 1.989 0.02 . 1 . . . . . 59 LEU HG . 53398 1 572 . 1 . 1 59 59 LEU HD11 H 1 0.995 0.01 . 1 . . . . . 59 LEU QD1 . 53398 1 573 . 1 . 1 59 59 LEU HD12 H 1 0.995 0.01 . 1 . . . . . 59 LEU QD1 . 53398 1 574 . 1 . 1 59 59 LEU HD13 H 1 0.995 0.01 . 1 . . . . . 59 LEU QD1 . 53398 1 575 . 1 . 1 59 59 LEU HD21 H 1 1.083 0.02 . 1 . . . . . 59 LEU QD2 . 53398 1 576 . 1 . 1 59 59 LEU HD22 H 1 1.083 0.02 . 1 . . . . . 59 LEU QD2 . 53398 1 577 . 1 . 1 59 59 LEU HD23 H 1 1.083 0.02 . 1 . . . . . 59 LEU QD2 . 53398 1 578 . 1 . 1 59 59 LEU CA C 13 56.277 0.07 . 1 . . . . . 59 LEU CA . 53398 1 579 . 1 . 1 59 59 LEU CB C 13 42.304 0.09 . 1 . . . . . 59 LEU CB . 53398 1 580 . 1 . 1 59 59 LEU CG C 13 26.069 0.31 . 1 . . . . . 59 LEU CG . 53398 1 581 . 1 . 1 59 59 LEU CD1 C 13 25.802 0.12 . 1 . . . . . 59 LEU CD1 . 53398 1 582 . 1 . 1 59 59 LEU CD2 C 13 21.627 0.01 . 1 . . . . . 59 LEU CD2 . 53398 1 583 . 1 . 1 59 59 LEU N N 15 116.024 0.06 . 1 . . . . . 59 LEU N . 53398 1 584 . 1 . 1 60 60 THR H H 1 8.239 0.00 . 1 . . . . . 60 THR H . 53398 1 585 . 1 . 1 60 60 THR HA H 1 4.768 0.02 . 1 . . . . . 60 THR HA . 53398 1 586 . 1 . 1 60 60 THR HB H 1 4.483 0.01 . 1 . . . . . 60 THR HB . 53398 1 587 . 1 . 1 60 60 THR HG21 H 1 1.442 0.01 . 1 . . . . . 60 THR QG2 . 53398 1 588 . 1 . 1 60 60 THR HG22 H 1 1.442 0.01 . 1 . . . . . 60 THR QG2 . 53398 1 589 . 1 . 1 60 60 THR HG23 H 1 1.442 0.01 . 1 . . . . . 60 THR QG2 . 53398 1 590 . 1 . 1 60 60 THR CA C 13 61.430 0.00 . 1 . . . . . 60 THR CA . 53398 1 591 . 1 . 1 60 60 THR N N 15 106.588 0.07 . 1 . . . . . 60 THR N . 53398 1 592 . 1 . 1 61 61 GLY H H 1 8.162 0.01 . 1 . . . . . 61 GLY H . 53398 1 593 . 1 . 1 61 61 GLY HA2 H 1 4.352 0.02 . 1 . . . . . 61 GLY HA2 . 53398 1 594 . 1 . 1 61 61 GLY HA3 H 1 3.972 0.02 . 1 . . . . . 61 GLY HA3 . 53398 1 595 . 1 . 1 61 61 GLY CA C 13 44.968 0.06 . 1 . . . . . 61 GLY CA . 53398 1 596 . 1 . 1 61 61 GLY N N 15 111.836 0.06 . 1 . . . . . 61 GLY N . 53398 1 597 . 1 . 1 62 62 GLN H H 1 7.856 0.00 . 1 . . . . . 62 GLN H . 53398 1 598 . 1 . 1 62 62 GLN HA H 1 4.637 0.04 . 1 . . . . . 62 GLN HA . 53398 1 599 . 1 . 1 62 62 GLN HB2 H 1 2.084 0.02 . 1 . . . . . 62 GLN HB2 . 53398 1 600 . 1 . 1 62 62 GLN HB3 H 1 1.902 0.03 . 1 . . . . . 62 GLN HB3 . 53398 1 601 . 1 . 1 62 62 GLN HG2 H 1 2.368 0.02 . 1 . . . . . 62 GLN HG2 . 53398 1 602 . 1 . 1 62 62 GLN HG3 H 1 2.339 0.01 . 1 . . . . . 62 GLN HG3 . 53398 1 603 . 1 . 1 62 62 GLN CA C 13 53.726 0.08 . 1 . . . . . 62 GLN CA . 53398 1 604 . 1 . 1 62 62 GLN CB C 13 30.254 0.15 . 1 . . . . . 62 GLN CB . 53398 1 605 . 1 . 1 62 62 GLN CG C 13 32.501 0.23 . 1 . . . . . 62 GLN CG . 53398 1 606 . 1 . 1 62 62 GLN N N 15 118.893 0.05 . 1 . . . . . 62 GLN N . 53398 1 607 . 1 . 1 63 63 ALA H H 1 8.459 0.01 . 1 . . . . . 63 ALA H . 53398 1 608 . 1 . 1 63 63 ALA HA H 1 4.570 0.02 . 1 . . . . . 63 ALA HA . 53398 1 609 . 1 . 1 63 63 ALA HB1 H 1 1.458 0.01 . 1 . . . . . 63 ALA HB# . 53398 1 610 . 1 . 1 63 63 ALA HB2 H 1 1.458 0.01 . 1 . . . . . 63 ALA HB# . 53398 1 611 . 1 . 1 63 63 ALA HB3 H 1 1.458 0.01 . 1 . . . . . 63 ALA HB# . 53398 1 612 . 1 . 1 63 63 ALA CA C 13 49.458 0.00 . 1 . . . . . 63 ALA CA . 53398 1 613 . 1 . 1 63 63 ALA CB C 13 20.197 0.00 . 1 . . . . . 63 ALA CB . 53398 1 614 . 1 . 1 63 63 ALA N N 15 126.688 0.06 . 1 . . . . . 63 ALA N . 53398 1 615 . 1 . 1 64 64 PRO HA H 1 4.438 0.04 . 1 . . . . . 64 PRO HA . 53398 1 616 . 1 . 1 64 64 PRO HB2 H 1 2.137 0.02 . 1 . . . . . 64 PRO HB2 . 53398 1 617 . 1 . 1 64 64 PRO HB3 H 1 1.906 0.02 . 1 . . . . . 64 PRO HB3 . 53398 1 618 . 1 . 1 64 64 PRO HG2 H 1 2.101 0.01 . 1 . . . . . 64 PRO HG2 . 53398 1 619 . 1 . 1 64 64 PRO HG3 H 1 1.905 0.01 . 1 . . . . . 64 PRO HG3 . 53398 1 620 . 1 . 1 64 64 PRO HD2 H 1 3.750 0.02 . 1 . . . . . 64 PRO HD2 . 53398 1 621 . 1 . 1 64 64 PRO HD3 H 1 3.658 0.02 . 1 . . . . . 64 PRO HD3 . 53398 1 622 . 1 . 1 64 64 PRO CA C 13 61.994 0.24 . 1 . . . . . 64 PRO CA . 53398 1 623 . 1 . 1 64 64 PRO CB C 13 30.445 0.12 . 1 . . . . . 64 PRO CB . 53398 1 624 . 1 . 1 64 64 PRO CG C 13 26.886 0.07 . 1 . . . . . 64 PRO CG . 53398 1 625 . 1 . 1 64 64 PRO CD C 13 49.198 0.08 . 1 . . . . . 64 PRO CD . 53398 1 626 . 1 . 1 65 65 ALA H H 1 8.401 0.00 . 1 . . . . . 65 ALA H . 53398 1 627 . 1 . 1 65 65 ALA HA H 1 4.535 0.00 . 1 . . . . . 65 ALA HA . 53398 1 628 . 1 . 1 65 65 ALA HB1 H 1 1.550 0.00 . 1 . . . . . 65 ALA HB# . 53398 1 629 . 1 . 1 65 65 ALA HB2 H 1 1.550 0.00 . 1 . . . . . 65 ALA HB# . 53398 1 630 . 1 . 1 65 65 ALA HB3 H 1 1.550 0.00 . 1 . . . . . 65 ALA HB# . 53398 1 631 . 1 . 1 65 65 ALA CA C 13 50.429 0.00 . 1 . . . . . 65 ALA CA . 53398 1 632 . 1 . 1 65 65 ALA CB C 13 18.298 0.00 . 1 . . . . . 65 ALA CB . 53398 1 633 . 1 . 1 65 65 ALA N N 15 127.299 0.07 . 1 . . . . . 65 ALA N . 53398 1 634 . 1 . 1 67 67 GLY HA2 H 1 4.263 0.01 . 1 . . . . . 67 GLY HA2 . 53398 1 635 . 1 . 1 67 67 GLY HA3 H 1 3.845 0.01 . 1 . . . . . 67 GLY HA3 . 53398 1 636 . 1 . 1 67 67 GLY CA C 13 44.605 0.00 . 1 . . . . . 67 GLY CA . 53398 1 637 . 1 . 1 68 68 GLN HA H 1 4.748 0.01 . 1 . . . . . 68 GLN HA . 53398 1 638 . 1 . 1 68 68 GLN HB2 H 1 2.103 0.01 . 1 . . . . . 68 GLN HB2 . 53398 1 639 . 1 . 1 68 68 GLN HB3 H 1 2.013 0.00 . 1 . . . . . 68 GLN HB3 . 53398 1 640 . 1 . 1 68 68 GLN HG2 H 1 2.404 0.00 . 1 . . . . . 68 GLN HG2 . 53398 1 641 . 1 . 1 68 68 GLN HG3 H 1 2.300 0.00 . 1 . . . . . 68 GLN HG3 . 53398 1 642 . 1 . 1 68 68 GLN CA C 13 54.635 0.00 . 1 . . . . . 68 GLN CA . 53398 1 643 . 1 . 1 68 68 GLN CB C 13 30.369 0.00 . 1 . . . . . 68 GLN CB . 53398 1 644 . 1 . 1 69 69 ARG HA H 1 4.487 0.01 . 1 . . . . . 69 ARG HA . 53398 1 645 . 1 . 1 69 69 ARG HB2 H 1 2.109 0.02 . 1 . . . . . 69 ARG HB2 . 53398 1 646 . 1 . 1 69 69 ARG HB3 H 1 1.835 0.03 . 1 . . . . . 69 ARG HB3 . 53398 1 647 . 1 . 1 69 69 ARG HG2 H 1 1.794 0.02 . 1 . . . . . 69 ARG HG2 . 53398 1 648 . 1 . 1 69 69 ARG HG3 H 1 1.700 0.01 . 1 . . . . . 69 ARG HG3 . 53398 1 649 . 1 . 1 69 69 ARG HD2 H 1 3.231 0.01 . 1 . . . . . 69 ARG QD . 53398 1 650 . 1 . 1 69 69 ARG HD3 H 1 3.231 0.01 . 1 . . . . . 69 ARG QD . 53398 1 651 . 1 . 1 69 69 ARG CA C 13 55.207 0.09 . 1 . . . . . 69 ARG CA . 53398 1 652 . 1 . 1 69 69 ARG CB C 13 30.403 0.07 . 1 . . . . . 69 ARG CB . 53398 1 653 . 1 . 1 69 69 ARG CG C 13 25.839 0.21 . 1 . . . . . 69 ARG CG . 53398 1 654 . 1 . 1 69 69 ARG CD C 13 42.075 0.16 . 1 . . . . . 69 ARG CD . 53398 1 655 . 1 . 1 70 70 VAL H H 1 7.709 0.00 . 1 . . . . . 70 VAL H . 53398 1 656 . 1 . 1 70 70 VAL HA H 1 5.029 0.02 . 1 . . . . . 70 VAL HA . 53398 1 657 . 1 . 1 70 70 VAL HB H 1 1.888 0.06 . 1 . . . . . 70 VAL HB . 53398 1 658 . 1 . 1 70 70 VAL HG11 H 1 0.848 0.02 . 1 . . . . . 70 VAL QG1 . 53398 1 659 . 1 . 1 70 70 VAL HG12 H 1 0.848 0.02 . 1 . . . . . 70 VAL QG1 . 53398 1 660 . 1 . 1 70 70 VAL HG13 H 1 0.848 0.02 . 1 . . . . . 70 VAL QG1 . 53398 1 661 . 1 . 1 70 70 VAL HG21 H 1 0.699 0.02 . 1 . . . . . 70 VAL QG2 . 53398 1 662 . 1 . 1 70 70 VAL HG22 H 1 0.699 0.02 . 1 . . . . . 70 VAL QG2 . 53398 1 663 . 1 . 1 70 70 VAL HG23 H 1 0.699 0.02 . 1 . . . . . 70 VAL QG2 . 53398 1 664 . 1 . 1 70 70 VAL CA C 13 59.481 0.07 . 1 . . . . . 70 VAL CA . 53398 1 665 . 1 . 1 70 70 VAL CB C 13 34.950 0.08 . 1 . . . . . 70 VAL CB . 53398 1 666 . 1 . 1 70 70 VAL N N 15 117.322 0.08 . 1 . . . . . 70 VAL N . 53398 1 667 . 1 . 1 71 71 LEU H H 1 9.205 0.00 . 1 . . . . . 71 LEU H . 53398 1 668 . 1 . 1 71 71 LEU HA H 1 4.842 0.02 . 1 . . . . . 71 LEU HA . 53398 1 669 . 1 . 1 71 71 LEU HB2 H 1 1.769 0.02 . 1 . . . . . 71 LEU HB2 . 53398 1 670 . 1 . 1 71 71 LEU HB3 H 1 1.462 0.02 . 1 . . . . . 71 LEU HB3 . 53398 1 671 . 1 . 1 71 71 LEU HG H 1 1.669 0.02 . 1 . . . . . 71 LEU HG . 53398 1 672 . 1 . 1 71 71 LEU HD11 H 1 0.792 0.04 . 1 . . . . . 71 LEU QD1 . 53398 1 673 . 1 . 1 71 71 LEU HD12 H 1 0.792 0.04 . 1 . . . . . 71 LEU QD1 . 53398 1 674 . 1 . 1 71 71 LEU HD13 H 1 0.792 0.04 . 1 . . . . . 71 LEU QD1 . 53398 1 675 . 1 . 1 71 71 LEU HD21 H 1 0.778 0.02 . 1 . . . . . 71 LEU QD2 . 53398 1 676 . 1 . 1 71 71 LEU HD22 H 1 0.778 0.02 . 1 . . . . . 71 LEU QD2 . 53398 1 677 . 1 . 1 71 71 LEU HD23 H 1 0.778 0.02 . 1 . . . . . 71 LEU QD2 . 53398 1 678 . 1 . 1 71 71 LEU CA C 13 52.994 0.05 . 1 . . . . . 71 LEU CA . 53398 1 679 . 1 . 1 71 71 LEU CB C 13 43.615 0.28 . 1 . . . . . 71 LEU CB . 53398 1 680 . 1 . 1 71 71 LEU CG C 13 26.518 0.06 . 1 . . . . . 71 LEU CG . 53398 1 681 . 1 . 1 71 71 LEU CD1 C 13 24.465 0.41 . 1 . . . . . 71 LEU CD1 . 53398 1 682 . 1 . 1 71 71 LEU CD2 C 13 24.424 0.25 . 1 . . . . . 71 LEU CD2 . 53398 1 683 . 1 . 1 71 71 LEU N N 15 127.354 0.08 . 1 . . . . . 71 LEU N . 53398 1 684 . 1 . 1 72 72 VAL H H 1 8.914 0.00 . 1 . . . . . 72 VAL H . 53398 1 685 . 1 . 1 72 72 VAL HA H 1 4.645 0.03 . 1 . . . . . 72 VAL HA . 53398 1 686 . 1 . 1 72 72 VAL HB H 1 2.073 0.02 . 1 . . . . . 72 VAL HB . 53398 1 687 . 1 . 1 72 72 VAL HG11 H 1 0.933 0.01 . 1 . . . . . 72 VAL QG1 . 53398 1 688 . 1 . 1 72 72 VAL HG12 H 1 0.933 0.01 . 1 . . . . . 72 VAL QG1 . 53398 1 689 . 1 . 1 72 72 VAL HG13 H 1 0.933 0.01 . 1 . . . . . 72 VAL QG1 . 53398 1 690 . 1 . 1 72 72 VAL HG21 H 1 0.732 0.02 . 1 . . . . . 72 VAL QG2 . 53398 1 691 . 1 . 1 72 72 VAL HG22 H 1 0.732 0.02 . 1 . . . . . 72 VAL QG2 . 53398 1 692 . 1 . 1 72 72 VAL HG23 H 1 0.732 0.02 . 1 . . . . . 72 VAL QG2 . 53398 1 693 . 1 . 1 72 72 VAL CA C 13 62.345 0.06 . 1 . . . . . 72 VAL CA . 53398 1 694 . 1 . 1 72 72 VAL CB C 13 30.415 0.12 . 1 . . . . . 72 VAL CB . 53398 1 695 . 1 . 1 72 72 VAL N N 15 125.040 0.07 . 1 . . . . . 72 VAL N . 53398 1 696 . 1 . 1 73 73 LEU H H 1 9.585 0.01 . 1 . . . . . 73 LEU H . 53398 1 697 . 1 . 1 73 73 LEU HA H 1 5.387 0.02 . 1 . . . . . 73 LEU HA . 53398 1 698 . 1 . 1 73 73 LEU HB2 H 1 1.782 0.02 . 1 . . . . . 73 LEU HB2 . 53398 1 699 . 1 . 1 73 73 LEU HB3 H 1 1.576 0.03 . 1 . . . . . 73 LEU HB3 . 53398 1 700 . 1 . 1 73 73 LEU HG H 1 1.750 0.03 . 1 . . . . . 73 LEU HG . 53398 1 701 . 1 . 1 73 73 LEU HD11 H 1 0.598 0.03 . 1 . . . . . 73 LEU QD1 . 53398 1 702 . 1 . 1 73 73 LEU HD12 H 1 0.598 0.03 . 1 . . . . . 73 LEU QD1 . 53398 1 703 . 1 . 1 73 73 LEU HD13 H 1 0.598 0.03 . 1 . . . . . 73 LEU QD1 . 53398 1 704 . 1 . 1 73 73 LEU HD21 H 1 0.753 0.05 . 1 . . . . . 73 LEU QD2 . 53398 1 705 . 1 . 1 73 73 LEU HD22 H 1 0.753 0.05 . 1 . . . . . 73 LEU QD2 . 53398 1 706 . 1 . 1 73 73 LEU HD23 H 1 0.753 0.05 . 1 . . . . . 73 LEU QD2 . 53398 1 707 . 1 . 1 73 73 LEU CA C 13 52.183 0.15 . 1 . . . . . 73 LEU CA . 53398 1 708 . 1 . 1 73 73 LEU CB C 13 42.922 0.12 . 1 . . . . . 73 LEU CB . 53398 1 709 . 1 . 1 73 73 LEU CG C 13 26.387 0.13 . 1 . . . . . 73 LEU CG . 53398 1 710 . 1 . 1 73 73 LEU CD1 C 13 24.662 0.31 . 1 . . . . . 73 LEU CD1 . 53398 1 711 . 1 . 1 73 73 LEU CD2 C 13 23.394 0.04 . 1 . . . . . 73 LEU CD2 . 53398 1 712 . 1 . 1 73 73 LEU N N 15 130.798 0.05 . 1 . . . . . 73 LEU N . 53398 1 713 . 1 . 1 74 74 GLU H H 1 8.816 0.00 . 1 . . . . . 74 GLU H . 53398 1 714 . 1 . 1 74 74 GLU HA H 1 4.975 0.02 . 1 . . . . . 74 GLU HA . 53398 1 715 . 1 . 1 74 74 GLU HB2 H 1 2.055 0.04 . 1 . . . . . 74 GLU HB2 . 53398 1 716 . 1 . 1 74 74 GLU HB3 H 1 1.924 0.02 . 1 . . . . . 74 GLU HB3 . 53398 1 717 . 1 . 1 74 74 GLU HG2 H 1 2.247 0.01 . 1 . . . . . 74 GLU QG . 53398 1 718 . 1 . 1 74 74 GLU HG3 H 1 2.247 0.01 . 1 . . . . . 74 GLU QG . 53398 1 719 . 1 . 1 74 74 GLU CA C 13 54.643 0.22 . 1 . . . . . 74 GLU CA . 53398 1 720 . 1 . 1 74 74 GLU CB C 13 31.236 0.30 . 1 . . . . . 74 GLU CB . 53398 1 721 . 1 . 1 74 74 GLU CG C 13 35.591 0.06 . 1 . . . . . 74 GLU CG . 53398 1 722 . 1 . 1 74 74 GLU N N 15 121.460 0.06 . 1 . . . . . 74 GLU N . 53398 1 723 . 1 . 1 75 75 LEU H H 1 9.066 0.00 . 1 . . . . . 75 LEU H . 53398 1 724 . 1 . 1 75 75 LEU HA H 1 5.311 0.01 . 1 . . . . . 75 LEU HA . 53398 1 725 . 1 . 1 75 75 LEU HB2 H 1 1.583 0.02 . 1 . . . . . 75 LEU QB . 53398 1 726 . 1 . 1 75 75 LEU HB3 H 1 1.583 0.02 . 1 . . . . . 75 LEU QB . 53398 1 727 . 1 . 1 75 75 LEU HG H 1 1.476 0.01 . 1 . . . . . 75 LEU HG . 53398 1 728 . 1 . 1 75 75 LEU HD11 H 1 0.671 0.03 . 1 . . . . . 75 LEU QD1 . 53398 1 729 . 1 . 1 75 75 LEU HD12 H 1 0.671 0.03 . 1 . . . . . 75 LEU QD1 . 53398 1 730 . 1 . 1 75 75 LEU HD13 H 1 0.671 0.03 . 1 . . . . . 75 LEU QD1 . 53398 1 731 . 1 . 1 75 75 LEU HD21 H 1 0.575 0.03 . 1 . . . . . 75 LEU QD2 . 53398 1 732 . 1 . 1 75 75 LEU HD22 H 1 0.575 0.03 . 1 . . . . . 75 LEU QD2 . 53398 1 733 . 1 . 1 75 75 LEU HD23 H 1 0.575 0.03 . 1 . . . . . 75 LEU QD2 . 53398 1 734 . 1 . 1 75 75 LEU CA C 13 53.058 0.05 . 1 . . . . . 75 LEU CA . 53398 1 735 . 1 . 1 75 75 LEU CB C 13 45.304 0.08 . 1 . . . . . 75 LEU CB . 53398 1 736 . 1 . 1 75 75 LEU CG C 13 26.122 0.08 . 1 . . . . . 75 LEU CG . 53398 1 737 . 1 . 1 75 75 LEU CD1 C 13 25.965 0.20 . 1 . . . . . 75 LEU CD1 . 53398 1 738 . 1 . 1 75 75 LEU CD2 C 13 25.858 0.12 . 1 . . . . . 75 LEU CD2 . 53398 1 739 . 1 . 1 75 75 LEU N N 15 122.681 0.06 . 1 . . . . . 75 LEU N . 53398 1 740 . 1 . 1 76 76 SER H H 1 8.146 0.01 . 1 . . . . . 76 SER H . 53398 1 741 . 1 . 1 76 76 SER HA H 1 4.776 0.00 . 1 . . . . . 76 SER HA . 53398 1 742 . 1 . 1 76 76 SER HB2 H 1 3.689 0.00 . 1 . . . . . 76 SER QB . 53398 1 743 . 1 . 1 76 76 SER HB3 H 1 3.689 0.00 . 1 . . . . . 76 SER QB . 53398 1 744 . 1 . 1 76 76 SER CA C 13 56.576 0.00 . 1 . . . . . 76 SER CA . 53398 1 745 . 1 . 1 76 76 SER N N 15 113.547 0.02 . 1 . . . . . 76 SER N . 53398 1 746 . 1 . 1 77 77 CYS H H 1 8.844 0.00 . 1 . . . . . 77 CYS H . 53398 1 747 . 1 . 1 77 77 CYS HA H 1 4.976 0.03 . 1 . . . . . 77 CYS HA . 53398 1 748 . 1 . 1 77 77 CYS HB2 H 1 2.960 0.00 . 1 . . . . . 77 CYS HB2 . 53398 1 749 . 1 . 1 77 77 CYS HB3 H 1 2.714 0.00 . 1 . . . . . 77 CYS HB3 . 53398 1 750 . 1 . 1 77 77 CYS CA C 13 57.223 0.00 . 1 . . . . . 77 CYS CA . 53398 1 751 . 1 . 1 77 77 CYS CB C 13 29.722 0.00 . 1 . . . . . 77 CYS CB . 53398 1 752 . 1 . 1 77 77 CYS N N 15 123.931 0.00 . 1 . . . . . 77 CYS N . 53398 1 753 . 1 . 1 80 80 ASP H H 1 7.022 0.00 . 1 . . . . . 80 ASP H . 53398 1 754 . 1 . 1 80 80 ASP HA H 1 4.704 0.02 . 1 . . . . . 80 ASP HA . 53398 1 755 . 1 . 1 80 80 ASP HB2 H 1 2.859 0.05 . 1 . . . . . 80 ASP HB2 . 53398 1 756 . 1 . 1 80 80 ASP HB3 H 1 2.754 0.01 . 1 . . . . . 80 ASP HB3 . 53398 1 757 . 1 . 1 80 80 ASP CA C 13 53.939 0.22 . 1 . . . . . 80 ASP CA . 53398 1 758 . 1 . 1 80 80 ASP CB C 13 40.743 0.20 . 1 . . . . . 80 ASP CB . 53398 1 759 . 1 . 1 80 80 ASP N N 15 120.046 0.00 . 1 . . . . . 80 ASP N . 53398 1 760 . 1 . 1 81 81 ASP H H 1 8.456 0.02 . 1 . . . . . 81 ASP H . 53398 1 761 . 1 . 1 81 81 ASP HA H 1 4.720 0.02 . 1 . . . . . 81 ASP HA . 53398 1 762 . 1 . 1 81 81 ASP HB2 H 1 2.853 0.02 . 1 . . . . . 81 ASP HB2 . 53398 1 763 . 1 . 1 81 81 ASP HB3 H 1 2.758 0.04 . 1 . . . . . 81 ASP HB3 . 53398 1 764 . 1 . 1 81 81 ASP CA C 13 53.732 0.07 . 1 . . . . . 81 ASP CA . 53398 1 765 . 1 . 1 81 81 ASP CB C 13 40.642 0.37 . 1 . . . . . 81 ASP CB . 53398 1 766 . 1 . 1 81 81 ASP N N 15 120.189 0.08 . 1 . . . . . 81 ASP N . 53398 1 767 . 1 . 1 82 82 GLU H H 1 8.594 0.01 . 1 . . . . . 82 GLU H . 53398 1 768 . 1 . 1 82 82 GLU HA H 1 4.280 0.02 . 1 . . . . . 82 GLU HA . 53398 1 769 . 1 . 1 82 82 GLU HB2 H 1 2.156 0.01 . 1 . . . . . 82 GLU HB2 . 53398 1 770 . 1 . 1 82 82 GLU HB3 H 1 2.059 0.00 . 1 . . . . . 82 GLU HB3 . 53398 1 771 . 1 . 1 82 82 GLU HG2 H 1 2.338 0.02 . 1 . . . . . 82 GLU QG . 53398 1 772 . 1 . 1 82 82 GLU HG3 H 1 2.338 0.02 . 1 . . . . . 82 GLU QG . 53398 1 773 . 1 . 1 82 82 GLU CA C 13 56.919 0.15 . 1 . . . . . 82 GLU CA . 53398 1 774 . 1 . 1 82 82 GLU CB C 13 30.459 0.06 . 1 . . . . . 82 GLU CB . 53398 1 775 . 1 . 1 82 82 GLU CG C 13 35.595 0.06 . 1 . . . . . 82 GLU CG . 53398 1 776 . 1 . 1 82 82 GLU N N 15 120.596 0.04 . 1 . . . . . 82 GLU N . 53398 1 777 . 1 . 1 83 83 ASP H H 1 8.412 0.00 . 1 . . . . . 83 ASP H . 53398 1 778 . 1 . 1 83 83 ASP HA H 1 4.731 0.01 . 1 . . . . . 83 ASP HA . 53398 1 779 . 1 . 1 83 83 ASP HB2 H 1 2.869 0.10 . 1 . . . . . 83 ASP HB2 . 53398 1 780 . 1 . 1 83 83 ASP HB3 H 1 2.742 0.03 . 1 . . . . . 83 ASP HB3 . 53398 1 781 . 1 . 1 83 83 ASP CA C 13 53.732 0.26 . 1 . . . . . 83 ASP CA . 53398 1 782 . 1 . 1 83 83 ASP CB C 13 40.451 0.07 . 1 . . . . . 83 ASP CB . 53398 1 783 . 1 . 1 83 83 ASP N N 15 118.541 0.06 . 1 . . . . . 83 ASP N . 53398 1 784 . 1 . 1 84 84 THR H H 1 7.787 0.01 . 1 . . . . . 84 THR H . 53398 1 785 . 1 . 1 84 84 THR HA H 1 4.250 0.02 . 1 . . . . . 84 THR HA . 53398 1 786 . 1 . 1 84 84 THR HB H 1 4.120 0.03 . 1 . . . . . 84 THR HB . 53398 1 787 . 1 . 1 84 84 THR HG21 H 1 1.052 0.02 . 1 . . . . . 84 THR QG2 . 53398 1 788 . 1 . 1 84 84 THR HG22 H 1 1.052 0.02 . 1 . . . . . 84 THR QG2 . 53398 1 789 . 1 . 1 84 84 THR HG23 H 1 1.052 0.02 . 1 . . . . . 84 THR QG2 . 53398 1 790 . 1 . 1 84 84 THR CA C 13 61.740 0.11 . 1 . . . . . 84 THR CA . 53398 1 791 . 1 . 1 84 84 THR N N 15 115.876 0.05 . 1 . . . . . 84 THR N . 53398 1 792 . 1 . 1 85 85 ALA H H 1 8.309 0.01 . 1 . . . . . 85 ALA H . 53398 1 793 . 1 . 1 85 85 ALA HA H 1 4.534 0.02 . 1 . . . . . 85 ALA HA . 53398 1 794 . 1 . 1 85 85 ALA HB1 H 1 1.377 0.02 . 1 . . . . . 85 ALA HB# . 53398 1 795 . 1 . 1 85 85 ALA HB2 H 1 1.377 0.02 . 1 . . . . . 85 ALA HB# . 53398 1 796 . 1 . 1 85 85 ALA HB3 H 1 1.377 0.02 . 1 . . . . . 85 ALA HB# . 53398 1 797 . 1 . 1 85 85 ALA CA C 13 51.041 0.05 . 1 . . . . . 85 ALA CA . 53398 1 798 . 1 . 1 85 85 ALA CB C 13 20.108 0.00 . 1 . . . . . 85 ALA CB . 53398 1 799 . 1 . 1 85 85 ALA N N 15 128.435 0.06 . 1 . . . . . 85 ALA N . 53398 1 800 . 1 . 1 86 86 PHE H H 1 8.636 0.00 . 1 . . . . . 86 PHE H . 53398 1 801 . 1 . 1 86 86 PHE HA H 1 4.602 0.01 . 1 . . . . . 86 PHE HA . 53398 1 802 . 1 . 1 86 86 PHE HB2 H 1 3.069 0.02 . 1 . . . . . 86 PHE QB . 53398 1 803 . 1 . 1 86 86 PHE HB3 H 1 3.069 0.02 . 1 . . . . . 86 PHE QB . 53398 1 804 . 1 . 1 86 86 PHE HD1 H 1 7.122 0.00 . 1 . . . . . 86 PHE QD . 53398 1 805 . 1 . 1 86 86 PHE HD2 H 1 7.122 0.00 . 1 . . . . . 86 PHE QD . 53398 1 806 . 1 . 1 86 86 PHE CA C 13 55.929 0.00 . 1 . . . . . 86 PHE CA . 53398 1 807 . 1 . 1 86 86 PHE CB C 13 39.105 0.00 . 1 . . . . . 86 PHE CB . 53398 1 808 . 1 . 1 86 86 PHE N N 15 123.903 0.04 . 1 . . . . . 86 PHE N . 53398 1 809 . 1 . 1 88 88 PRO HA H 1 4.704 0.03 . 1 . . . . . 88 PRO HA . 53398 1 810 . 1 . 1 88 88 PRO HB2 H 1 2.325 0.02 . 1 . . . . . 88 PRO HB2 . 53398 1 811 . 1 . 1 88 88 PRO HB3 H 1 1.751 0.02 . 1 . . . . . 88 PRO HB3 . 53398 1 812 . 1 . 1 88 88 PRO HG2 H 1 2.140 0.03 . 1 . . . . . 88 PRO HG2 . 53398 1 813 . 1 . 1 88 88 PRO HG3 H 1 2.066 0.02 . 1 . . . . . 88 PRO HG3 . 53398 1 814 . 1 . 1 88 88 PRO HD2 H 1 3.650 0.07 . 1 . . . . . 88 PRO QD . 53398 1 815 . 1 . 1 88 88 PRO HD3 H 1 3.650 0.07 . 1 . . . . . 88 PRO QD . 53398 1 816 . 1 . 1 88 88 PRO CA C 13 61.828 0.25 . 1 . . . . . 88 PRO CA . 53398 1 817 . 1 . 1 88 88 PRO CB C 13 31.733 0.12 . 1 . . . . . 88 PRO CB . 53398 1 818 . 1 . 1 88 88 PRO CG C 13 26.557 0.09 . 1 . . . . . 88 PRO CG . 53398 1 819 . 1 . 1 88 88 PRO CD C 13 49.400 0.08 . 1 . . . . . 88 PRO CD . 53398 1 820 . 1 . 1 89 89 LEU H H 1 8.734 0.01 . 1 . . . . . 89 LEU H . 53398 1 821 . 1 . 1 89 89 LEU HA H 1 4.806 0.07 . 1 . . . . . 89 LEU HA . 53398 1 822 . 1 . 1 89 89 LEU HB2 H 1 1.772 0.02 . 1 . . . . . 89 LEU HB2 . 53398 1 823 . 1 . 1 89 89 LEU HB3 H 1 1.483 0.02 . 1 . . . . . 89 LEU HB3 . 53398 1 824 . 1 . 1 89 89 LEU HG H 1 1.677 0.04 . 1 . . . . . 89 LEU HG . 53398 1 825 . 1 . 1 89 89 LEU HD11 H 1 0.867 0.00 . 1 . . . . . 89 LEU QD1 . 53398 1 826 . 1 . 1 89 89 LEU HD12 H 1 0.867 0.00 . 1 . . . . . 89 LEU QD1 . 53398 1 827 . 1 . 1 89 89 LEU HD13 H 1 0.867 0.00 . 1 . . . . . 89 LEU QD1 . 53398 1 828 . 1 . 1 89 89 LEU HD21 H 1 0.881 0.01 . 1 . . . . . 89 LEU QD2 . 53398 1 829 . 1 . 1 89 89 LEU HD22 H 1 0.881 0.01 . 1 . . . . . 89 LEU QD2 . 53398 1 830 . 1 . 1 89 89 LEU HD23 H 1 0.881 0.01 . 1 . . . . . 89 LEU QD2 . 53398 1 831 . 1 . 1 89 89 LEU CA C 13 61.753 0.00 . 1 . . . . . 89 LEU CA . 53398 1 832 . 1 . 1 89 89 LEU CB C 13 43.034 0.09 . 1 . . . . . 89 LEU CB . 53398 1 833 . 1 . 1 89 89 LEU CG C 13 26.805 0.14 . 1 . . . . . 89 LEU CG . 53398 1 834 . 1 . 1 89 89 LEU CD1 C 13 25.651 0.00 . 1 . . . . . 89 LEU CD1 . 53398 1 835 . 1 . 1 89 89 LEU CD2 C 13 25.484 0.07 . 1 . . . . . 89 LEU CD2 . 53398 1 836 . 1 . 1 89 89 LEU N N 15 121.693 0.09 . 1 . . . . . 89 LEU N . 53398 1 837 . 1 . 1 90 90 HIS H H 1 9.221 0.01 . 1 . . . . . 90 HIS H . 53398 1 838 . 1 . 1 90 90 HIS HA H 1 4.807 0.02 . 1 . . . . . 90 HIS HA . 53398 1 839 . 1 . 1 90 90 HIS HB2 H 1 3.157 0.01 . 1 . . . . . 90 HIS HB2 . 53398 1 840 . 1 . 1 90 90 HIS HB3 H 1 2.824 0.01 . 1 . . . . . 90 HIS HB3 . 53398 1 841 . 1 . 1 90 90 HIS CA C 13 54.892 0.09 . 1 . . . . . 90 HIS CA . 53398 1 842 . 1 . 1 90 90 HIS CB C 13 30.395 0.05 . 1 . . . . . 90 HIS CB . 53398 1 843 . 1 . 1 90 90 HIS N N 15 126.870 0.08 . 1 . . . . . 90 HIS N . 53398 1 844 . 1 . 1 91 91 TYR H H 1 9.049 0.00 . 1 . . . . . 91 TYR H . 53398 1 845 . 1 . 1 91 91 TYR HA H 1 5.215 0.02 . 1 . . . . . 91 TYR HA . 53398 1 846 . 1 . 1 91 91 TYR HB2 H 1 3.512 0.02 . 1 . . . . . 91 TYR HB2 . 53398 1 847 . 1 . 1 91 91 TYR HB3 H 1 2.509 0.02 . 1 . . . . . 91 TYR HB3 . 53398 1 848 . 1 . 1 91 91 TYR HD1 H 1 6.844 0.00 . 1 . . . . . 91 TYR QD . 53398 1 849 . 1 . 1 91 91 TYR HD2 H 1 6.844 0.00 . 1 . . . . . 91 TYR QD . 53398 1 850 . 1 . 1 91 91 TYR HE1 H 1 6.539 0.00 . 1 . . . . . 91 TYR QE . 53398 1 851 . 1 . 1 91 91 TYR HE2 H 1 6.539 0.00 . 1 . . . . . 91 TYR QE . 53398 1 852 . 1 . 1 91 91 TYR CA C 13 55.640 0.05 . 1 . . . . . 91 TYR CA . 53398 1 853 . 1 . 1 91 91 TYR CB C 13 38.499 0.09 . 1 . . . . . 91 TYR CB . 53398 1 854 . 1 . 1 91 91 TYR N N 15 130.203 0.06 . 1 . . . . . 91 TYR N . 53398 1 855 . 1 . 1 92 92 GLU H H 1 8.405 0.00 . 1 . . . . . 92 GLU H . 53398 1 856 . 1 . 1 92 92 GLU HA H 1 4.513 0.01 . 1 . . . . . 92 GLU HA . 53398 1 857 . 1 . 1 92 92 GLU HB2 H 1 2.065 0.02 . 1 . . . . . 92 GLU HB2 . 53398 1 858 . 1 . 1 92 92 GLU HB3 H 1 1.941 0.01 . 1 . . . . . 92 GLU HB3 . 53398 1 859 . 1 . 1 92 92 GLU HG2 H 1 2.344 0.00 . 1 . . . . . 92 GLU HG2 . 53398 1 860 . 1 . 1 92 92 GLU HG3 H 1 2.094 0.02 . 1 . . . . . 92 GLU HG3 . 53398 1 861 . 1 . 1 92 92 GLU CA C 13 56.315 0.08 . 1 . . . . . 92 GLU CA . 53398 1 862 . 1 . 1 92 92 GLU CB C 13 30.010 0.07 . 1 . . . . . 92 GLU CB . 53398 1 863 . 1 . 1 92 92 GLU CG C 13 36.328 0.21 . 1 . . . . . 92 GLU CG . 53398 1 864 . 1 . 1 92 92 GLU N N 15 127.769 0.05 . 1 . . . . . 92 GLU N . 53398 1 865 . 1 . 1 93 93 LEU H H 1 8.147 0.00 . 1 . . . . . 93 LEU H . 53398 1 866 . 1 . 1 93 93 LEU HA H 1 3.996 0.01 . 1 . . . . . 93 LEU HA . 53398 1 867 . 1 . 1 93 93 LEU HB2 H 1 1.611 0.02 . 1 . . . . . 93 LEU QB . 53398 1 868 . 1 . 1 93 93 LEU HB3 H 1 1.611 0.02 . 1 . . . . . 93 LEU QB . 53398 1 869 . 1 . 1 93 93 LEU HG H 1 1.531 0.01 . 1 . . . . . 93 LEU HG . 53398 1 870 . 1 . 1 93 93 LEU HD11 H 1 0.809 0.01 . 1 . . . . . 93 LEU QD1 . 53398 1 871 . 1 . 1 93 93 LEU HD12 H 1 0.809 0.01 . 1 . . . . . 93 LEU QD1 . 53398 1 872 . 1 . 1 93 93 LEU HD13 H 1 0.809 0.01 . 1 . . . . . 93 LEU QD1 . 53398 1 873 . 1 . 1 93 93 LEU HD21 H 1 0.743 0.01 . 1 . . . . . 93 LEU QD2 . 53398 1 874 . 1 . 1 93 93 LEU HD22 H 1 0.743 0.01 . 1 . . . . . 93 LEU QD2 . 53398 1 875 . 1 . 1 93 93 LEU HD23 H 1 0.743 0.01 . 1 . . . . . 93 LEU QD2 . 53398 1 876 . 1 . 1 93 93 LEU CA C 13 56.027 0.01 . 1 . . . . . 93 LEU CA . 53398 1 877 . 1 . 1 93 93 LEU CB C 13 41.522 0.04 . 1 . . . . . 93 LEU CB . 53398 1 878 . 1 . 1 93 93 LEU CG C 13 26.298 0.00 . 1 . . . . . 93 LEU CG . 53398 1 879 . 1 . 1 93 93 LEU CD1 C 13 24.398 0.08 . 1 . . . . . 93 LEU CD1 . 53398 1 880 . 1 . 1 93 93 LEU CD2 C 13 22.420 0.08 . 1 . . . . . 93 LEU CD2 . 53398 1 881 . 1 . 1 93 93 LEU N N 15 131.823 0.07 . 1 . . . . . 93 LEU N . 53398 1 stop_ save_