data_15687 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15687 _Entry.Title ; Automated NMR Structure of the TA0895 by FAPSY ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-03-21 _Entry.Accession_date 2008-03-21 _Entry.Last_release_date 2012-08-14 _Entry.Original_release_date 2012-08-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _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 Woonghee Lee W. . . 15687 2 Jin-Won Jung J. . . 15687 3 Weontae Lee W. . . 15687 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 15687 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID AUTOMATION . 15687 FAPSY . 15687 MOAD . 15687 MOLYBDOPTERIN . 15687 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15687 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 273 15687 '15N chemical shifts' 83 15687 '1H chemical shifts' 530 15687 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 . . 2012-08-14 2008-03-20 original author . 15687 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K22 'BMRB Entry Tracking System' 15687 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15687 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'The Automated Suite for Protein Structure Determination by NMR Spectroscopy' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _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.Entry_ID _Citation_author.Citation_ID 1 Woonghee Lee W. . . 15687 1 2 Jin-Won Jung J. . . 15687 1 3 Weontae Lee W. . . 15687 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15687 _Assembly.ID 1 _Assembly.Name TA0895 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 TA0895 1 $TA0895 A . yes native no no . . . 15687 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TA0895 _Entity.Sf_category entity _Entity.Sf_framecode TA0895 _Entity.Entry_ID 15687 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TA0895 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MVTVRYYATLRPITKKKEET FNGISKISELLERLKVEYGS EFTKQMYDGNNLFKNVIILV NGNNITSMKGLDTEIKDDDK IDLFPPVAGG ; _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 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10231.843 _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 PDB 2G1E . "Solution Structure Of Ta0895" . . . . . 100.00 90 100.00 100.00 1.95e-56 . . . . 15687 1 2 no PDB 2K22 . "Automated Nmr Structure Of The Ta0895 By Fapsy" . . . . . 100.00 90 100.00 100.00 1.95e-56 . . . . 15687 1 3 no EMBL CAC12024 . "conserved hypothetical protein [Thermoplasma acidophilum]" . . . . . 100.00 90 100.00 100.00 1.95e-56 . . . . 15687 1 4 no REF WP_010901305 . "molybdopterin synthase sulfur carrier subunit [Thermoplasma acidophilum]" . . . . . 100.00 90 100.00 100.00 1.95e-56 . . . . 15687 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15687 1 2 . VAL . 15687 1 3 . THR . 15687 1 4 . VAL . 15687 1 5 . ARG . 15687 1 6 . TYR . 15687 1 7 . TYR . 15687 1 8 . ALA . 15687 1 9 . THR . 15687 1 10 . LEU . 15687 1 11 . ARG . 15687 1 12 . PRO . 15687 1 13 . ILE . 15687 1 14 . THR . 15687 1 15 . LYS . 15687 1 16 . LYS . 15687 1 17 . LYS . 15687 1 18 . GLU . 15687 1 19 . GLU . 15687 1 20 . THR . 15687 1 21 . PHE . 15687 1 22 . ASN . 15687 1 23 . GLY . 15687 1 24 . ILE . 15687 1 25 . SER . 15687 1 26 . LYS . 15687 1 27 . ILE . 15687 1 28 . SER . 15687 1 29 . GLU . 15687 1 30 . LEU . 15687 1 31 . LEU . 15687 1 32 . GLU . 15687 1 33 . ARG . 15687 1 34 . LEU . 15687 1 35 . LYS . 15687 1 36 . VAL . 15687 1 37 . GLU . 15687 1 38 . TYR . 15687 1 39 . GLY . 15687 1 40 . SER . 15687 1 41 . GLU . 15687 1 42 . PHE . 15687 1 43 . THR . 15687 1 44 . LYS . 15687 1 45 . GLN . 15687 1 46 . MET . 15687 1 47 . TYR . 15687 1 48 . ASP . 15687 1 49 . GLY . 15687 1 50 . ASN . 15687 1 51 . ASN . 15687 1 52 . LEU . 15687 1 53 . PHE . 15687 1 54 . LYS . 15687 1 55 . ASN . 15687 1 56 . VAL . 15687 1 57 . ILE . 15687 1 58 . ILE . 15687 1 59 . LEU . 15687 1 60 . VAL . 15687 1 61 . ASN . 15687 1 62 . GLY . 15687 1 63 . ASN . 15687 1 64 . ASN . 15687 1 65 . ILE . 15687 1 66 . THR . 15687 1 67 . SER . 15687 1 68 . MET . 15687 1 69 . LYS . 15687 1 70 . GLY . 15687 1 71 . LEU . 15687 1 72 . ASP . 15687 1 73 . THR . 15687 1 74 . GLU . 15687 1 75 . ILE . 15687 1 76 . LYS . 15687 1 77 . ASP . 15687 1 78 . ASP . 15687 1 79 . ASP . 15687 1 80 . LYS . 15687 1 81 . ILE . 15687 1 82 . ASP . 15687 1 83 . LEU . 15687 1 84 . PHE . 15687 1 85 . PRO . 15687 1 86 . PRO . 15687 1 87 . VAL . 15687 1 88 . ALA . 15687 1 89 . GLY . 15687 1 90 . GLY . 15687 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15687 1 . VAL 2 2 15687 1 . THR 3 3 15687 1 . VAL 4 4 15687 1 . ARG 5 5 15687 1 . TYR 6 6 15687 1 . TYR 7 7 15687 1 . ALA 8 8 15687 1 . THR 9 9 15687 1 . LEU 10 10 15687 1 . ARG 11 11 15687 1 . PRO 12 12 15687 1 . ILE 13 13 15687 1 . THR 14 14 15687 1 . LYS 15 15 15687 1 . LYS 16 16 15687 1 . LYS 17 17 15687 1 . GLU 18 18 15687 1 . GLU 19 19 15687 1 . THR 20 20 15687 1 . PHE 21 21 15687 1 . ASN 22 22 15687 1 . GLY 23 23 15687 1 . ILE 24 24 15687 1 . SER 25 25 15687 1 . LYS 26 26 15687 1 . ILE 27 27 15687 1 . SER 28 28 15687 1 . GLU 29 29 15687 1 . LEU 30 30 15687 1 . LEU 31 31 15687 1 . GLU 32 32 15687 1 . ARG 33 33 15687 1 . LEU 34 34 15687 1 . LYS 35 35 15687 1 . VAL 36 36 15687 1 . GLU 37 37 15687 1 . TYR 38 38 15687 1 . GLY 39 39 15687 1 . SER 40 40 15687 1 . GLU 41 41 15687 1 . PHE 42 42 15687 1 . THR 43 43 15687 1 . LYS 44 44 15687 1 . GLN 45 45 15687 1 . MET 46 46 15687 1 . TYR 47 47 15687 1 . ASP 48 48 15687 1 . GLY 49 49 15687 1 . ASN 50 50 15687 1 . ASN 51 51 15687 1 . LEU 52 52 15687 1 . PHE 53 53 15687 1 . LYS 54 54 15687 1 . ASN 55 55 15687 1 . VAL 56 56 15687 1 . ILE 57 57 15687 1 . ILE 58 58 15687 1 . LEU 59 59 15687 1 . VAL 60 60 15687 1 . ASN 61 61 15687 1 . GLY 62 62 15687 1 . ASN 63 63 15687 1 . ASN 64 64 15687 1 . ILE 65 65 15687 1 . THR 66 66 15687 1 . SER 67 67 15687 1 . MET 68 68 15687 1 . LYS 69 69 15687 1 . GLY 70 70 15687 1 . LEU 71 71 15687 1 . ASP 72 72 15687 1 . THR 73 73 15687 1 . GLU 74 74 15687 1 . ILE 75 75 15687 1 . LYS 76 76 15687 1 . ASP 77 77 15687 1 . ASP 78 78 15687 1 . ASP 79 79 15687 1 . LYS 80 80 15687 1 . ILE 81 81 15687 1 . ASP 82 82 15687 1 . LEU 83 83 15687 1 . PHE 84 84 15687 1 . PRO 85 85 15687 1 . PRO 86 86 15687 1 . VAL 87 87 15687 1 . ALA 88 88 15687 1 . GLY 89 89 15687 1 . GLY 90 90 15687 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 15687 _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 $TA0895 . 2303 organism . 'THERMOPLASMA ACIDOPHILUM' 'THERMOPLASMA ACIDOPHILUM' . . Archaea . THERMOPLASMA ACIDOPHILUM . . . . . . . . . . . . . . . . TA0895 . . . . 15687 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 15687 _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 $TA0895 . 'recombinant technology' 'ESCHERICHIA COLI' . . . ESCHERICHIA COLI BL21(DE3) . . . . . . . . . . . . PLASMID . . PET . . . . . . 15687 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15687 _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 TA0895 '[U-95% 13C; U-95% 15N]' . . 1 $TA0895 . . 1.5 . . mM . . . . 15687 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 15687 _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' 0.025 . M 15687 1 pH 7.4 . pH 15687 1 pressure 1 . atm 15687 1 temperature 298 . K 15687 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15687 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert P.' . . 15687 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15687 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15687 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15687 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_600 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 600 _NMR_spectrometer_list.Entry_ID 15687 _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 . 500 . . . 15687 1 2 spectrometer_2 Varian INOVA . 600 . . . 15687 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 15687 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15687 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15687 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15687 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15687 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15687 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15687 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15687 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15687 1 9 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15687 1 10 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15687 1 11 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15687 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 15687 _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 . . . . . . . . . 15687 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15687 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15687 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 15687 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15687 1 2 '3D CBCA(CO)NH' . . . 15687 1 3 '3D HNCA' . . . 15687 1 4 '3D HNCACB' . . . 15687 1 5 '3D HBHA(CO)NH' . . . 15687 1 6 '3D 1H-13C NOESY' . . . 15687 1 7 '3D HCCH-TOCSY' . . . 15687 1 8 '3D 1H-15N NOESY' . . . 15687 1 10 '3D H(CCO)NH' . . . 15687 1 11 '3D C(CO)NH' . . . 15687 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 5.130 0.020 . 1 . . . . 1 MET HA . 15687 1 2 . 1 1 1 1 MET HB2 H 1 1.985 0.020 . 2 . . . . 1 MET HB2 . 15687 1 3 . 1 1 1 1 MET HB3 H 1 1.867 0.020 . 2 . . . . 1 MET HB3 . 15687 1 4 . 1 1 1 1 MET HG2 H 1 2.358 0.020 . 2 . . . . 1 MET HG2 . 15687 1 5 . 1 1 1 1 MET HG3 H 1 2.267 0.020 . 2 . . . . 1 MET HG3 . 15687 1 6 . 1 1 1 1 MET CB C 13 35.700 0.200 . 1 . . . . 1 MET CB . 15687 1 7 . 1 1 1 1 MET CG C 13 32.551 0.200 . 1 . . . . 1 MET CG . 15687 1 8 . 1 1 2 2 VAL H H 1 8.640 0.020 . 1 . . . . 2 VAL H . 15687 1 9 . 1 1 2 2 VAL HA H 1 4.790 0.020 . 1 . . . . 2 VAL HA . 15687 1 10 . 1 1 2 2 VAL HB H 1 1.891 0.020 . 1 . . . . 2 VAL HB . 15687 1 11 . 1 1 2 2 VAL HG11 H 1 0.783 0.020 . 2 . . . . 2 VAL HG1 . 15687 1 12 . 1 1 2 2 VAL HG12 H 1 0.783 0.020 . 2 . . . . 2 VAL HG1 . 15687 1 13 . 1 1 2 2 VAL HG13 H 1 0.783 0.020 . 2 . . . . 2 VAL HG1 . 15687 1 14 . 1 1 2 2 VAL HG21 H 1 0.704 0.020 . 2 . . . . 2 VAL HG2 . 15687 1 15 . 1 1 2 2 VAL HG22 H 1 0.704 0.020 . 2 . . . . 2 VAL HG2 . 15687 1 16 . 1 1 2 2 VAL HG23 H 1 0.704 0.020 . 2 . . . . 2 VAL HG2 . 15687 1 17 . 1 1 2 2 VAL CA C 13 59.900 0.200 . 1 . . . . 2 VAL CA . 15687 1 18 . 1 1 2 2 VAL CB C 13 35.100 0.200 . 1 . . . . 2 VAL CB . 15687 1 19 . 1 1 2 2 VAL CG1 C 13 22.224 0.200 . 2 . . . . 2 VAL CG1 . 15687 1 20 . 1 1 2 2 VAL CG2 C 13 20.307 0.200 . 2 . . . . 2 VAL CG2 . 15687 1 21 . 1 1 2 2 VAL N N 15 118.400 0.200 . 1 . . . . 2 VAL N . 15687 1 22 . 1 1 3 3 THR H H 1 8.060 0.020 . 1 . . . . 3 THR H . 15687 1 23 . 1 1 3 3 THR HA H 1 4.650 0.020 . 1 . . . . 3 THR HA . 15687 1 24 . 1 1 3 3 THR HB H 1 3.710 0.020 . 1 . . . . 3 THR HB . 15687 1 25 . 1 1 3 3 THR HG21 H 1 0.855 0.020 . . . . . . 3 THR HG2 . 15687 1 26 . 1 1 3 3 THR HG22 H 1 0.855 0.020 . . . . . . 3 THR HG2 . 15687 1 27 . 1 1 3 3 THR HG23 H 1 0.855 0.020 . . . . . . 3 THR HG2 . 15687 1 28 . 1 1 3 3 THR CA C 13 62.900 0.200 . 1 . . . . 3 THR CA . 15687 1 29 . 1 1 3 3 THR CB C 13 70.800 0.200 . 1 . . . . 3 THR CB . 15687 1 30 . 1 1 3 3 THR CG2 C 13 21.331 0.200 . 1 . . . . 3 THR CG2 . 15687 1 31 . 1 1 3 3 THR N N 15 119.400 0.200 . 1 . . . . 3 THR N . 15687 1 32 . 1 1 4 4 VAL H H 1 9.230 0.020 . 1 . . . . 4 VAL H . 15687 1 33 . 1 1 4 4 VAL HA H 1 4.670 0.020 . 1 . . . . 4 VAL HA . 15687 1 34 . 1 1 4 4 VAL HB H 1 1.750 0.020 . 1 . . . . 4 VAL HB . 15687 1 35 . 1 1 4 4 VAL HG11 H 1 0.814 0.020 . 2 . . . . 4 VAL HG1 . 15687 1 36 . 1 1 4 4 VAL HG12 H 1 0.814 0.020 . 2 . . . . 4 VAL HG1 . 15687 1 37 . 1 1 4 4 VAL HG13 H 1 0.814 0.020 . 2 . . . . 4 VAL HG1 . 15687 1 38 . 1 1 4 4 VAL HG21 H 1 0.550 0.020 . 2 . . . . 4 VAL HG2 . 15687 1 39 . 1 1 4 4 VAL HG22 H 1 0.550 0.020 . 2 . . . . 4 VAL HG2 . 15687 1 40 . 1 1 4 4 VAL HG23 H 1 0.550 0.020 . 2 . . . . 4 VAL HG2 . 15687 1 41 . 1 1 4 4 VAL CA C 13 60.600 0.200 . 1 . . . . 4 VAL CA . 15687 1 42 . 1 1 4 4 VAL CB C 13 34.600 0.200 . 1 . . . . 4 VAL CB . 15687 1 43 . 1 1 4 4 VAL CG1 C 13 24.247 0.200 . 2 . . . . 4 VAL CG1 . 15687 1 44 . 1 1 4 4 VAL CG2 C 13 22.867 0.200 . 2 . . . . 4 VAL CG2 . 15687 1 45 . 1 1 4 4 VAL N N 15 128.300 0.200 . 1 . . . . 4 VAL N . 15687 1 46 . 1 1 5 5 ARG H H 1 8.880 0.020 . 1 . . . . 5 ARG H . 15687 1 47 . 1 1 5 5 ARG HA H 1 4.530 0.020 . 1 . . . . 5 ARG HA . 15687 1 48 . 1 1 5 5 ARG HB2 H 1 2.320 0.020 . 2 . . . . 5 ARG HB2 . 15687 1 49 . 1 1 5 5 ARG HB3 H 1 1.750 0.020 . 2 . . . . 5 ARG HB3 . 15687 1 50 . 1 1 5 5 ARG CA C 13 55.700 0.200 . 1 . . . . 5 ARG CA . 15687 1 51 . 1 1 5 5 ARG CB C 13 32.000 0.200 . 1 . . . . 5 ARG CB . 15687 1 52 . 1 1 5 5 ARG CD C 13 43.972 0.200 . 1 . . . . 5 ARG CD . 15687 1 53 . 1 1 5 5 ARG N N 15 124.700 0.200 . 1 . . . . 5 ARG N . 15687 1 54 . 1 1 6 6 TYR H H 1 7.460 0.020 . 1 . . . . 6 TYR H . 15687 1 55 . 1 1 6 6 TYR HA H 1 4.630 0.020 . 1 . . . . 6 TYR HA . 15687 1 56 . 1 1 6 6 TYR HB2 H 1 2.580 0.020 . 2 . . . . 6 TYR HB2 . 15687 1 57 . 1 1 6 6 TYR HB3 H 1 2.439 0.020 . 2 . . . . 6 TYR HB3 . 15687 1 58 . 1 1 6 6 TYR HE1 H 1 6.448 0.020 . 3 . . . . 6 TYR HE1 . 15687 1 59 . 1 1 6 6 TYR HE2 H 1 6.448 0.020 . 3 . . . . 6 TYR HE2 . 15687 1 60 . 1 1 6 6 TYR CA C 13 56.400 0.200 . 1 . . . . 6 TYR CA . 15687 1 61 . 1 1 6 6 TYR CB C 13 41.100 0.200 . 1 . . . . 6 TYR CB . 15687 1 62 . 1 1 6 6 TYR N N 15 119.300 0.200 . 1 . . . . 6 TYR N . 15687 1 63 . 1 1 7 7 TYR H H 1 6.770 0.020 . 1 . . . . 7 TYR H . 15687 1 64 . 1 1 7 7 TYR HA H 1 4.460 0.020 . 1 . . . . 7 TYR HA . 15687 1 65 . 1 1 7 7 TYR HB2 H 1 3.070 0.020 . 2 . . . . 7 TYR HB2 . 15687 1 66 . 1 1 7 7 TYR HB3 H 1 2.329 0.020 . 2 . . . . 7 TYR HB3 . 15687 1 67 . 1 1 7 7 TYR HE1 H 1 6.472 0.020 . 3 . . . . 7 TYR HE1 . 15687 1 68 . 1 1 7 7 TYR HE2 H 1 6.472 0.020 . 3 . . . . 7 TYR HE2 . 15687 1 69 . 1 1 7 7 TYR CA C 13 58.400 0.200 . 1 . . . . 7 TYR CA . 15687 1 70 . 1 1 7 7 TYR CB C 13 43.000 0.200 . 1 . . . . 7 TYR CB . 15687 1 71 . 1 1 7 7 TYR N N 15 117.800 0.200 . 1 . . . . 7 TYR N . 15687 1 72 . 1 1 8 8 ALA H H 1 9.380 0.020 . 1 . . . . 8 ALA H . 15687 1 73 . 1 1 8 8 ALA HA H 1 3.930 0.020 . 1 . . . . 8 ALA HA . 15687 1 74 . 1 1 8 8 ALA HB1 H 1 1.550 0.020 . 1 . . . . 8 ALA HB . 15687 1 75 . 1 1 8 8 ALA HB2 H 1 1.550 0.020 . 1 . . . . 8 ALA HB . 15687 1 76 . 1 1 8 8 ALA HB3 H 1 1.550 0.020 . 1 . . . . 8 ALA HB . 15687 1 77 . 1 1 8 8 ALA CA C 13 53.900 0.200 . 1 . . . . 8 ALA CA . 15687 1 78 . 1 1 8 8 ALA CB C 13 18.400 0.200 . 1 . . . . 8 ALA CB . 15687 1 79 . 1 1 8 8 ALA N N 15 122.800 0.200 . 1 . . . . 8 ALA N . 15687 1 80 . 1 1 9 9 THR H H 1 7.120 0.020 . 1 . . . . 9 THR H . 15687 1 81 . 1 1 9 9 THR HA H 1 3.850 0.020 . 1 . . . . 9 THR HA . 15687 1 82 . 1 1 9 9 THR HB H 1 4.320 0.020 . 1 . . . . 9 THR HB . 15687 1 83 . 1 1 9 9 THR HG21 H 1 1.192 0.020 . . . . . . 9 THR HG2 . 15687 1 84 . 1 1 9 9 THR HG22 H 1 1.192 0.020 . . . . . . 9 THR HG2 . 15687 1 85 . 1 1 9 9 THR HG23 H 1 1.192 0.020 . . . . . . 9 THR HG2 . 15687 1 86 . 1 1 9 9 THR CA C 13 64.300 0.200 . 1 . . . . 9 THR CA . 15687 1 87 . 1 1 9 9 THR CB C 13 68.900 0.200 . 1 . . . . 9 THR CB . 15687 1 88 . 1 1 9 9 THR CG2 C 13 23.350 0.200 . 1 . . . . 9 THR CG2 . 15687 1 89 . 1 1 9 9 THR N N 15 111.400 0.200 . 1 . . . . 9 THR N . 15687 1 90 . 1 1 10 10 LEU H H 1 7.980 0.020 . 1 . . . . 10 LEU H . 15687 1 91 . 1 1 10 10 LEU HA H 1 4.210 0.020 . 1 . . . . 10 LEU HA . 15687 1 92 . 1 1 10 10 LEU HB2 H 1 2.010 0.020 . 2 . . . . 10 LEU HB2 . 15687 1 93 . 1 1 10 10 LEU HB3 H 1 1.164 0.020 . 2 . . . . 10 LEU HB3 . 15687 1 94 . 1 1 10 10 LEU HD11 H 1 0.654 0.020 . 2 . . . . 10 LEU HD1 . 15687 1 95 . 1 1 10 10 LEU HD12 H 1 0.654 0.020 . 2 . . . . 10 LEU HD1 . 15687 1 96 . 1 1 10 10 LEU HD13 H 1 0.654 0.020 . 2 . . . . 10 LEU HD1 . 15687 1 97 . 1 1 10 10 LEU HD21 H 1 1.085 0.020 . 2 . . . . 10 LEU HD2 . 15687 1 98 . 1 1 10 10 LEU HD22 H 1 1.085 0.020 . 2 . . . . 10 LEU HD2 . 15687 1 99 . 1 1 10 10 LEU HD23 H 1 1.085 0.020 . 2 . . . . 10 LEU HD2 . 15687 1 100 . 1 1 10 10 LEU HG H 1 1.336 0.020 . 1 . . . . 10 LEU HG . 15687 1 101 . 1 1 10 10 LEU CA C 13 56.900 0.200 . 1 . . . . 10 LEU CA . 15687 1 102 . 1 1 10 10 LEU CB C 13 43.500 0.200 . 1 . . . . 10 LEU CB . 15687 1 103 . 1 1 10 10 LEU CD1 C 13 27.423 0.200 . 2 . . . . 10 LEU CD1 . 15687 1 104 . 1 1 10 10 LEU CD2 C 13 22.953 0.200 . 2 . . . . 10 LEU CD2 . 15687 1 105 . 1 1 10 10 LEU N N 15 118.000 0.200 . 1 . . . . 10 LEU N . 15687 1 106 . 1 1 11 11 ARG H H 1 7.420 0.020 . 1 . . . . 11 ARG H . 15687 1 107 . 1 1 11 11 ARG HA H 1 4.040 0.020 . 1 . . . . 11 ARG HA . 15687 1 108 . 1 1 11 11 ARG HB2 H 1 2.010 0.020 . 2 . . . . 11 ARG HB2 . 15687 1 109 . 1 1 11 11 ARG HB3 H 1 1.580 0.020 . 2 . . . . 11 ARG HB3 . 15687 1 110 . 1 1 11 11 ARG CA C 13 61.500 0.200 . 1 . . . . 11 ARG CA . 15687 1 111 . 1 1 11 11 ARG CB C 13 28.100 0.200 . 1 . . . . 11 ARG CB . 15687 1 112 . 1 1 11 11 ARG N N 15 118.600 0.200 . 1 . . . . 11 ARG N . 15687 1 113 . 1 1 12 12 PRO HA H 1 4.190 0.020 . 1 . . . . 12 PRO HA . 15687 1 114 . 1 1 12 12 PRO HB2 H 1 1.863 0.020 . 2 . . . . 12 PRO HB2 . 15687 1 115 . 1 1 12 12 PRO HB3 H 1 2.203 0.020 . 2 . . . . 12 PRO HB3 . 15687 1 116 . 1 1 12 12 PRO HG2 H 1 1.711 0.020 . 2 . . . . 12 PRO HG2 . 15687 1 117 . 1 1 12 12 PRO HG3 H 1 1.616 0.020 . 2 . . . . 12 PRO HG3 . 15687 1 118 . 1 1 12 12 PRO CA C 13 65.300 0.200 . 1 . . . . 12 PRO CA . 15687 1 119 . 1 1 12 12 PRO CB C 13 31.800 0.200 . 1 . . . . 12 PRO CB . 15687 1 120 . 1 1 12 12 PRO CD C 13 50.886 0.200 . 1 . . . . 12 PRO CD . 15687 1 121 . 1 1 12 12 PRO CG C 13 28.543 0.200 . 1 . . . . 12 PRO CG . 15687 1 122 . 1 1 13 13 ILE H H 1 6.590 0.020 . 1 . . . . 13 ILE H . 15687 1 123 . 1 1 13 13 ILE HA H 1 3.750 0.020 . 1 . . . . 13 ILE HA . 15687 1 124 . 1 1 13 13 ILE HB H 1 1.860 0.020 . 1 . . . . 13 ILE HB . 15687 1 125 . 1 1 13 13 ILE HD11 H 1 0.719 0.020 . 1 . . . . 13 ILE HD1 . 15687 1 126 . 1 1 13 13 ILE HD12 H 1 0.719 0.020 . 1 . . . . 13 ILE HD1 . 15687 1 127 . 1 1 13 13 ILE HD13 H 1 0.719 0.020 . 1 . . . . 13 ILE HD1 . 15687 1 128 . 1 1 13 13 ILE HG12 H 1 1.518 0.020 . 2 . . . . 13 ILE HG12 . 15687 1 129 . 1 1 13 13 ILE HG13 H 1 1.015 0.020 . 2 . . . . 13 ILE HG13 . 15687 1 130 . 1 1 13 13 ILE HG21 H 1 0.725 0.020 . 1 . . . . 13 ILE HG2 . 15687 1 131 . 1 1 13 13 ILE HG22 H 1 0.725 0.020 . 1 . . . . 13 ILE HG2 . 15687 1 132 . 1 1 13 13 ILE HG23 H 1 0.725 0.020 . 1 . . . . 13 ILE HG2 . 15687 1 133 . 1 1 13 13 ILE CA C 13 63.500 0.200 . 1 . . . . 13 ILE CA . 15687 1 134 . 1 1 13 13 ILE CB C 13 39.400 0.200 . 1 . . . . 13 ILE CB . 15687 1 135 . 1 1 13 13 ILE CD1 C 13 14.886 0.200 . 1 . . . . 13 ILE CD1 . 15687 1 136 . 1 1 13 13 ILE CG1 C 13 28.882 0.200 . 1 . . . . 13 ILE CG1 . 15687 1 137 . 1 1 13 13 ILE CG2 C 13 17.729 0.200 . 1 . . . . 13 ILE CG2 . 15687 1 138 . 1 1 13 13 ILE N N 15 114.400 0.200 . 1 . . . . 13 ILE N . 15687 1 139 . 1 1 14 14 THR H H 1 7.750 0.020 . 1 . . . . 14 THR H . 15687 1 140 . 1 1 14 14 THR HA H 1 3.500 0.020 . 1 . . . . 14 THR HA . 15687 1 141 . 1 1 14 14 THR HB H 1 3.206 0.020 . 1 . . . . 14 THR HB . 15687 1 142 . 1 1 14 14 THR CA C 13 62.500 0.200 . 1 . . . . 14 THR CA . 15687 1 143 . 1 1 14 14 THR CB C 13 69.600 0.200 . 1 . . . . 14 THR CB . 15687 1 144 . 1 1 14 14 THR CG2 C 13 18.419 0.200 . 1 . . . . 14 THR CG2 . 15687 1 145 . 1 1 14 14 THR N N 15 109.200 0.200 . 1 . . . . 14 THR N . 15687 1 146 . 1 1 15 15 LYS H H 1 8.000 0.020 . 1 . . . . 15 LYS H . 15687 1 147 . 1 1 15 15 LYS HA H 1 3.600 0.020 . 1 . . . . 15 LYS HA . 15687 1 148 . 1 1 15 15 LYS CA C 13 57.800 0.200 . 1 . . . . 15 LYS CA . 15687 1 149 . 1 1 15 15 LYS CB C 13 29.600 0.200 . 1 . . . . 15 LYS CB . 15687 1 150 . 1 1 15 15 LYS CD C 13 25.406 0.200 . 1 . . . . 15 LYS CD . 15687 1 151 . 1 1 15 15 LYS CE C 13 42.779 0.200 . 1 . . . . 15 LYS CE . 15687 1 152 . 1 1 15 15 LYS CG C 13 23.663 0.200 . 1 . . . . 15 LYS CG . 15687 1 153 . 1 1 15 15 LYS N N 15 114.400 0.200 . 1 . . . . 15 LYS N . 15687 1 154 . 1 1 16 16 LYS H H 1 7.960 0.020 . 1 . . . . 16 LYS H . 15687 1 155 . 1 1 16 16 LYS HA H 1 4.500 0.020 . 1 . . . . 16 LYS HA . 15687 1 156 . 1 1 16 16 LYS HB2 H 1 1.930 0.020 . 2 . . . . 16 LYS HB2 . 15687 1 157 . 1 1 16 16 LYS HB3 H 1 1.330 0.020 . 2 . . . . 16 LYS HB3 . 15687 1 158 . 1 1 16 16 LYS HE2 H 1 2.977 0.020 . 2 . . . . 16 LYS HE2 . 15687 1 159 . 1 1 16 16 LYS HE3 H 1 2.977 0.020 . 2 . . . . 16 LYS HE3 . 15687 1 160 . 1 1 16 16 LYS CA C 13 55.800 0.200 . 1 . . . . 16 LYS CA . 15687 1 161 . 1 1 16 16 LYS CB C 13 36.400 0.200 . 1 . . . . 16 LYS CB . 15687 1 162 . 1 1 16 16 LYS CD C 13 30.062 0.200 . 1 . . . . 16 LYS CD . 15687 1 163 . 1 1 16 16 LYS CE C 13 42.354 0.200 . 1 . . . . 16 LYS CE . 15687 1 164 . 1 1 16 16 LYS N N 15 116.600 0.200 . 1 . . . . 16 LYS N . 15687 1 165 . 1 1 17 17 LYS H H 1 8.510 0.020 . 1 . . . . 17 LYS H . 15687 1 166 . 1 1 17 17 LYS HA H 1 4.080 0.020 . 1 . . . . 17 LYS HA . 15687 1 167 . 1 1 17 17 LYS HB2 H 1 1.660 0.020 . 2 . . . . 17 LYS HB2 . 15687 1 168 . 1 1 17 17 LYS HB3 H 1 1.660 0.020 . 2 . . . . 17 LYS HB3 . 15687 1 169 . 1 1 17 17 LYS HE2 H 1 2.750 0.020 . 2 . . . . 17 LYS HE2 . 15687 1 170 . 1 1 17 17 LYS HE3 H 1 2.750 0.020 . 2 . . . . 17 LYS HE3 . 15687 1 171 . 1 1 17 17 LYS CA C 13 58.500 0.200 . 1 . . . . 17 LYS CA . 15687 1 172 . 1 1 17 17 LYS CB C 13 34.000 0.200 . 1 . . . . 17 LYS CB . 15687 1 173 . 1 1 17 17 LYS CD C 13 28.717 0.200 . 1 . . . . 17 LYS CD . 15687 1 174 . 1 1 17 17 LYS CE C 13 41.836 0.200 . 1 . . . . 17 LYS CE . 15687 1 175 . 1 1 17 17 LYS CG C 13 25.430 0.200 . 1 . . . . 17 LYS CG . 15687 1 176 . 1 1 17 17 LYS N N 15 117.300 0.200 . 1 . . . . 17 LYS N . 15687 1 177 . 1 1 18 18 GLU H H 1 7.480 0.020 . 1 . . . . 18 GLU H . 15687 1 178 . 1 1 18 18 GLU HA H 1 5.270 0.020 . 1 . . . . 18 GLU HA . 15687 1 179 . 1 1 18 18 GLU HB2 H 1 1.660 0.020 . 2 . . . . 18 GLU HB2 . 15687 1 180 . 1 1 18 18 GLU HB3 H 1 1.610 0.020 . 2 . . . . 18 GLU HB3 . 15687 1 181 . 1 1 18 18 GLU HG2 H 1 1.867 0.020 . 2 . . . . 18 GLU HG2 . 15687 1 182 . 1 1 18 18 GLU HG3 H 1 1.730 0.020 . 2 . . . . 18 GLU HG3 . 15687 1 183 . 1 1 18 18 GLU CA C 13 54.700 0.200 . 1 . . . . 18 GLU CA . 15687 1 184 . 1 1 18 18 GLU CB C 13 33.800 0.200 . 1 . . . . 18 GLU CB . 15687 1 185 . 1 1 18 18 GLU CG C 13 35.255 0.200 . 1 . . . . 18 GLU CG . 15687 1 186 . 1 1 18 18 GLU N N 15 114.900 0.200 . 1 . . . . 18 GLU N . 15687 1 187 . 1 1 19 19 GLU H H 1 8.960 0.020 . 1 . . . . 19 GLU H . 15687 1 188 . 1 1 19 19 GLU HA H 1 4.500 0.020 . 1 . . . . 19 GLU HA . 15687 1 189 . 1 1 19 19 GLU HB2 H 1 2.020 0.020 . 2 . . . . 19 GLU HB2 . 15687 1 190 . 1 1 19 19 GLU HB3 H 1 1.610 0.020 . 2 . . . . 19 GLU HB3 . 15687 1 191 . 1 1 19 19 GLU HG2 H 1 2.306 0.020 . 2 . . . . 19 GLU HG2 . 15687 1 192 . 1 1 19 19 GLU HG3 H 1 2.306 0.020 . 2 . . . . 19 GLU HG3 . 15687 1 193 . 1 1 19 19 GLU CA C 13 56.000 0.200 . 1 . . . . 19 GLU CA . 15687 1 194 . 1 1 19 19 GLU CB C 13 33.500 0.200 . 1 . . . . 19 GLU CB . 15687 1 195 . 1 1 19 19 GLU CG C 13 34.578 0.200 . 1 . . . . 19 GLU CG . 15687 1 196 . 1 1 19 19 GLU N N 15 119.300 0.200 . 1 . . . . 19 GLU N . 15687 1 197 . 1 1 20 20 THR H H 1 7.960 0.020 . 1 . . . . 20 THR H . 15687 1 198 . 1 1 20 20 THR HA H 1 5.370 0.020 . 1 . . . . 20 THR HA . 15687 1 199 . 1 1 20 20 THR HB H 1 3.870 0.020 . 1 . . . . 20 THR HB . 15687 1 200 . 1 1 20 20 THR HG21 H 1 1.018 0.020 . . . . . . 20 THR HG2 . 15687 1 201 . 1 1 20 20 THR HG22 H 1 1.018 0.020 . . . . . . 20 THR HG2 . 15687 1 202 . 1 1 20 20 THR HG23 H 1 1.018 0.020 . . . . . . 20 THR HG2 . 15687 1 203 . 1 1 20 20 THR CA C 13 60.300 0.200 . 1 . . . . 20 THR CA . 15687 1 204 . 1 1 20 20 THR CB C 13 71.800 0.200 . 1 . . . . 20 THR CB . 15687 1 205 . 1 1 20 20 THR CG2 C 13 22.360 0.200 . 1 . . . . 20 THR CG2 . 15687 1 206 . 1 1 20 20 THR N N 15 113.400 0.200 . 1 . . . . 20 THR N . 15687 1 207 . 1 1 21 21 PHE H H 1 8.550 0.020 . 1 . . . . 21 PHE H . 15687 1 208 . 1 1 21 21 PHE HA H 1 4.630 0.020 . 1 . . . . 21 PHE HA . 15687 1 209 . 1 1 21 21 PHE HB2 H 1 2.830 0.020 . 2 . . . . 21 PHE HB2 . 15687 1 210 . 1 1 21 21 PHE CA C 13 57.600 0.200 . 1 . . . . 21 PHE CA . 15687 1 211 . 1 1 21 21 PHE CB C 13 45.300 0.200 . 1 . . . . 21 PHE CB . 15687 1 212 . 1 1 21 21 PHE N N 15 118.400 0.200 . 1 . . . . 21 PHE N . 15687 1 213 . 1 1 22 22 ASN H H 1 8.630 0.020 . 1 . . . . 22 ASN H . 15687 1 214 . 1 1 22 22 ASN HA H 1 4.900 0.020 . 1 . . . . 22 ASN HA . 15687 1 215 . 1 1 22 22 ASN HB2 H 1 2.830 0.020 . 2 . . . . 22 ASN HB2 . 15687 1 216 . 1 1 22 22 ASN HB3 H 1 2.768 0.020 . 2 . . . . 22 ASN HB3 . 15687 1 217 . 1 1 22 22 ASN CA C 13 52.400 0.200 . 1 . . . . 22 ASN CA . 15687 1 218 . 1 1 22 22 ASN CB C 13 42.200 0.200 . 1 . . . . 22 ASN CB . 15687 1 219 . 1 1 22 22 ASN N N 15 118.000 0.200 . 1 . . . . 22 ASN N . 15687 1 220 . 1 1 23 23 GLY H H 1 8.390 0.020 . 1 . . . . 23 GLY H . 15687 1 221 . 1 1 23 23 GLY HA2 H 1 3.770 0.020 . 2 . . . . 23 GLY HA2 . 15687 1 222 . 1 1 23 23 GLY HA3 H 1 3.913 0.020 . 2 . . . . 23 GLY HA3 . 15687 1 223 . 1 1 23 23 GLY CA C 13 47.300 0.200 . 1 . . . . 23 GLY CA . 15687 1 224 . 1 1 23 23 GLY N N 15 107.900 0.200 . 1 . . . . 23 GLY N . 15687 1 225 . 1 1 24 24 ILE H H 1 7.860 0.020 . 1 . . . . 24 ILE H . 15687 1 226 . 1 1 24 24 ILE HA H 1 4.070 0.020 . 1 . . . . 24 ILE HA . 15687 1 227 . 1 1 24 24 ILE HB H 1 1.580 0.020 . 1 . . . . 24 ILE HB . 15687 1 228 . 1 1 24 24 ILE HD11 H 1 0.400 0.020 . 1 . . . . 24 ILE HD1 . 15687 1 229 . 1 1 24 24 ILE HD12 H 1 0.400 0.020 . 1 . . . . 24 ILE HD1 . 15687 1 230 . 1 1 24 24 ILE HD13 H 1 0.400 0.020 . 1 . . . . 24 ILE HD1 . 15687 1 231 . 1 1 24 24 ILE HG12 H 1 1.128 0.020 . 2 . . . . 24 ILE HG12 . 15687 1 232 . 1 1 24 24 ILE HG13 H 1 0.952 0.020 . 2 . . . . 24 ILE HG13 . 15687 1 233 . 1 1 24 24 ILE HG21 H 1 0.638 0.020 . 1 . . . . 24 ILE HG2 . 15687 1 234 . 1 1 24 24 ILE HG22 H 1 0.638 0.020 . 1 . . . . 24 ILE HG2 . 15687 1 235 . 1 1 24 24 ILE HG23 H 1 0.638 0.020 . 1 . . . . 24 ILE HG2 . 15687 1 236 . 1 1 24 24 ILE CA C 13 60.600 0.200 . 1 . . . . 24 ILE CA . 15687 1 237 . 1 1 24 24 ILE CB C 13 38.900 0.200 . 1 . . . . 24 ILE CB . 15687 1 238 . 1 1 24 24 ILE CD1 C 13 12.748 0.200 . 1 . . . . 24 ILE CD1 . 15687 1 239 . 1 1 24 24 ILE CG1 C 13 27.286 0.200 . 1 . . . . 24 ILE CG1 . 15687 1 240 . 1 1 24 24 ILE CG2 C 13 19.370 0.200 . 1 . . . . 24 ILE CG2 . 15687 1 241 . 1 1 24 24 ILE N N 15 119.800 0.200 . 1 . . . . 24 ILE N . 15687 1 242 . 1 1 25 25 SER H H 1 8.870 0.020 . 1 . . . . 25 SER H . 15687 1 243 . 1 1 25 25 SER HA H 1 4.790 0.020 . 1 . . . . 25 SER HA . 15687 1 244 . 1 1 25 25 SER HB2 H 1 3.900 0.020 . 2 . . . . 25 SER HB2 . 15687 1 245 . 1 1 25 25 SER HB3 H 1 3.722 0.020 . 2 . . . . 25 SER HB3 . 15687 1 246 . 1 1 25 25 SER CA C 13 60.200 0.200 . 1 . . . . 25 SER CA . 15687 1 247 . 1 1 25 25 SER CB C 13 65.800 0.200 . 1 . . . . 25 SER CB . 15687 1 248 . 1 1 25 25 SER N N 15 119.600 0.200 . 1 . . . . 25 SER N . 15687 1 249 . 1 1 26 26 LYS H H 1 7.240 0.020 . 1 . . . . 26 LYS H . 15687 1 250 . 1 1 26 26 LYS HA H 1 5.280 0.020 . 1 . . . . 26 LYS HA . 15687 1 251 . 1 1 26 26 LYS HB2 H 1 1.830 0.020 . 2 . . . . 26 LYS HB2 . 15687 1 252 . 1 1 26 26 LYS HB3 H 1 1.469 0.020 . 2 . . . . 26 LYS HB3 . 15687 1 253 . 1 1 26 26 LYS HE2 H 1 2.844 0.020 . 2 . . . . 26 LYS HE2 . 15687 1 254 . 1 1 26 26 LYS HE3 H 1 2.844 0.020 . 2 . . . . 26 LYS HE3 . 15687 1 255 . 1 1 26 26 LYS HG2 H 1 1.292 0.020 . 2 . . . . 26 LYS HG2 . 15687 1 256 . 1 1 26 26 LYS HG3 H 1 1.292 0.020 . 2 . . . . 26 LYS HG3 . 15687 1 257 . 1 1 26 26 LYS CA C 13 55.500 0.200 . 1 . . . . 26 LYS CA . 15687 1 258 . 1 1 26 26 LYS CB C 13 38.600 0.200 . 1 . . . . 26 LYS CB . 15687 1 259 . 1 1 26 26 LYS CD C 13 30.226 0.200 . 1 . . . . 26 LYS CD . 15687 1 260 . 1 1 26 26 LYS CE C 13 42.202 0.200 . 1 . . . . 26 LYS CE . 15687 1 261 . 1 1 26 26 LYS CG C 13 25.268 0.200 . 1 . . . . 26 LYS CG . 15687 1 262 . 1 1 26 26 LYS N N 15 118.200 0.200 . 1 . . . . 26 LYS N . 15687 1 263 . 1 1 27 27 ILE H H 1 8.220 0.020 . 1 . . . . 27 ILE H . 15687 1 264 . 1 1 27 27 ILE HA H 1 3.650 0.020 . 1 . . . . 27 ILE HA . 15687 1 265 . 1 1 27 27 ILE HB H 1 1.830 0.020 . 1 . . . . 27 ILE HB . 15687 1 266 . 1 1 27 27 ILE HD11 H 1 0.526 0.020 . 1 . . . . 27 ILE HD1 . 15687 1 267 . 1 1 27 27 ILE HD12 H 1 0.526 0.020 . 1 . . . . 27 ILE HD1 . 15687 1 268 . 1 1 27 27 ILE HD13 H 1 0.526 0.020 . 1 . . . . 27 ILE HD1 . 15687 1 269 . 1 1 27 27 ILE HG12 H 1 1.583 0.020 . 2 . . . . 27 ILE HG12 . 15687 1 270 . 1 1 27 27 ILE HG13 H 1 1.319 0.020 . 2 . . . . 27 ILE HG13 . 15687 1 271 . 1 1 27 27 ILE HG21 H 1 0.799 0.020 . 1 . . . . 27 ILE HG2 . 15687 1 272 . 1 1 27 27 ILE HG22 H 1 0.799 0.020 . 1 . . . . 27 ILE HG2 . 15687 1 273 . 1 1 27 27 ILE HG23 H 1 0.799 0.020 . 1 . . . . 27 ILE HG2 . 15687 1 274 . 1 1 27 27 ILE CA C 13 62.500 0.200 . 1 . . . . 27 ILE CA . 15687 1 275 . 1 1 27 27 ILE CB C 13 35.000 0.200 . 1 . . . . 27 ILE CB . 15687 1 276 . 1 1 27 27 ILE CD1 C 13 9.460 0.200 . 1 . . . . 27 ILE CD1 . 15687 1 277 . 1 1 27 27 ILE CG1 C 13 27.464 0.200 . 1 . . . . 27 ILE CG1 . 15687 1 278 . 1 1 27 27 ILE CG2 C 13 18.370 0.200 . 1 . . . . 27 ILE CG2 . 15687 1 279 . 1 1 27 27 ILE N N 15 122.200 0.200 . 1 . . . . 27 ILE N . 15687 1 280 . 1 1 28 28 SER H H 1 8.690 0.020 . 1 . . . . 28 SER H . 15687 1 281 . 1 1 28 28 SER HA H 1 4.150 0.020 . 1 . . . . 28 SER HA . 15687 1 282 . 1 1 28 28 SER HB2 H 1 3.840 0.020 . 2 . . . . 28 SER HB2 . 15687 1 283 . 1 1 28 28 SER HB3 H 1 3.838 0.020 . 2 . . . . 28 SER HB3 . 15687 1 284 . 1 1 28 28 SER CA C 13 61.700 0.200 . 1 . . . . 28 SER CA . 15687 1 285 . 1 1 28 28 SER CB C 13 65.900 0.200 . 1 . . . . 28 SER CB . 15687 1 286 . 1 1 28 28 SER N N 15 114.800 0.200 . 1 . . . . 28 SER N . 15687 1 287 . 1 1 29 29 GLU H H 1 6.530 0.020 . 1 . . . . 29 GLU H . 15687 1 288 . 1 1 29 29 GLU HA H 1 3.970 0.020 . 1 . . . . 29 GLU HA . 15687 1 289 . 1 1 29 29 GLU HB2 H 1 1.893 0.020 . 2 . . . . 29 GLU HB2 . 15687 1 290 . 1 1 29 29 GLU HB3 H 1 1.890 0.020 . 2 . . . . 29 GLU HB3 . 15687 1 291 . 1 1 29 29 GLU HG2 H 1 2.149 0.020 . 2 . . . . 29 GLU HG2 . 15687 1 292 . 1 1 29 29 GLU HG3 H 1 2.149 0.020 . 2 . . . . 29 GLU HG3 . 15687 1 293 . 1 1 29 29 GLU CA C 13 58.600 0.200 . 1 . . . . 29 GLU CA . 15687 1 294 . 1 1 29 29 GLU CB C 13 31.000 0.200 . 1 . . . . 29 GLU CB . 15687 1 295 . 1 1 29 29 GLU CG C 13 36.744 0.200 . 1 . . . . 29 GLU CG . 15687 1 296 . 1 1 29 29 GLU N N 15 122.000 0.200 . 1 . . . . 29 GLU N . 15687 1 297 . 1 1 30 30 LEU H H 1 7.570 0.020 . 1 . . . . 30 LEU H . 15687 1 298 . 1 1 30 30 LEU HA H 1 3.700 0.020 . 1 . . . . 30 LEU HA . 15687 1 299 . 1 1 30 30 LEU HB2 H 1 2.195 0.020 . 2 . . . . 30 LEU HB2 . 15687 1 300 . 1 1 30 30 LEU HB3 H 1 1.115 0.020 . 2 . . . . 30 LEU HB3 . 15687 1 301 . 1 1 30 30 LEU HD11 H 1 0.682 0.020 . 2 . . . . 30 LEU HD1 . 15687 1 302 . 1 1 30 30 LEU HD12 H 1 0.682 0.020 . 2 . . . . 30 LEU HD1 . 15687 1 303 . 1 1 30 30 LEU HD13 H 1 0.682 0.020 . 2 . . . . 30 LEU HD1 . 15687 1 304 . 1 1 30 30 LEU HD21 H 1 0.340 0.020 . 2 . . . . 30 LEU HD2 . 15687 1 305 . 1 1 30 30 LEU HD22 H 1 0.340 0.020 . 2 . . . . 30 LEU HD2 . 15687 1 306 . 1 1 30 30 LEU HD23 H 1 0.340 0.020 . 2 . . . . 30 LEU HD2 . 15687 1 307 . 1 1 30 30 LEU HG H 1 1.253 0.020 . 1 . . . . 30 LEU HG . 15687 1 308 . 1 1 30 30 LEU CA C 13 58.400 0.200 . 1 . . . . 30 LEU CA . 15687 1 309 . 1 1 30 30 LEU CB C 13 41.800 0.200 . 1 . . . . 30 LEU CB . 15687 1 310 . 1 1 30 30 LEU CD1 C 13 27.192 0.200 . 2 . . . . 30 LEU CD1 . 15687 1 311 . 1 1 30 30 LEU CD2 C 13 23.267 0.200 . 2 . . . . 30 LEU CD2 . 15687 1 312 . 1 1 30 30 LEU N N 15 121.500 0.200 . 1 . . . . 30 LEU N . 15687 1 313 . 1 1 31 31 LEU H H 1 8.070 0.020 . 1 . . . . 31 LEU H . 15687 1 314 . 1 1 31 31 LEU HA H 1 3.850 0.020 . 1 . . . . 31 LEU HA . 15687 1 315 . 1 1 31 31 LEU HB2 H 1 1.840 0.020 . 2 . . . . 31 LEU HB2 . 15687 1 316 . 1 1 31 31 LEU HB3 H 1 1.840 0.020 . 2 . . . . 31 LEU HB3 . 15687 1 317 . 1 1 31 31 LEU HG H 1 0.814 0.020 . 1 . . . . 31 LEU HG . 15687 1 318 . 1 1 31 31 LEU CA C 13 58.900 0.200 . 1 . . . . 31 LEU CA . 15687 1 319 . 1 1 31 31 LEU CB C 13 40.600 0.200 . 1 . . . . 31 LEU CB . 15687 1 320 . 1 1 31 31 LEU CD1 C 13 21.710 0.200 . 2 . . . . 31 LEU CD1 . 15687 1 321 . 1 1 31 31 LEU CG C 13 27.089 0.200 . 1 . . . . 31 LEU CG . 15687 1 322 . 1 1 31 31 LEU N N 15 117.600 0.200 . 1 . . . . 31 LEU N . 15687 1 323 . 1 1 32 32 GLU H H 1 7.570 0.020 . 1 . . . . 32 GLU H . 15687 1 324 . 1 1 32 32 GLU HA H 1 3.810 0.020 . 1 . . . . 32 GLU HA . 15687 1 325 . 1 1 32 32 GLU HB2 H 1 1.930 0.020 . 2 . . . . 32 GLU HB2 . 15687 1 326 . 1 1 32 32 GLU HB3 H 1 1.930 0.020 . 2 . . . . 32 GLU HB3 . 15687 1 327 . 1 1 32 32 GLU HG2 H 1 2.258 0.020 . 2 . . . . 32 GLU HG2 . 15687 1 328 . 1 1 32 32 GLU HG3 H 1 2.258 0.020 . 2 . . . . 32 GLU HG3 . 15687 1 329 . 1 1 32 32 GLU CA C 13 59.700 0.200 . 1 . . . . 32 GLU CA . 15687 1 330 . 1 1 32 32 GLU CB C 13 29.400 0.200 . 1 . . . . 32 GLU CB . 15687 1 331 . 1 1 32 32 GLU CG C 13 36.134 0.200 . 1 . . . . 32 GLU CG . 15687 1 332 . 1 1 32 32 GLU N N 15 116.500 0.200 . 1 . . . . 32 GLU N . 15687 1 333 . 1 1 33 33 ARG H H 1 7.570 0.020 . 1 . . . . 33 ARG H . 15687 1 334 . 1 1 33 33 ARG HA H 1 3.940 0.020 . 1 . . . . 33 ARG HA . 15687 1 335 . 1 1 33 33 ARG HB2 H 1 1.599 0.020 . 2 . . . . 33 ARG HB2 . 15687 1 336 . 1 1 33 33 ARG HB3 H 1 1.600 0.020 . 2 . . . . 33 ARG HB3 . 15687 1 337 . 1 1 33 33 ARG CA C 13 58.100 0.200 . 1 . . . . 33 ARG CA . 15687 1 338 . 1 1 33 33 ARG CB C 13 29.100 0.200 . 1 . . . . 33 ARG CB . 15687 1 339 . 1 1 33 33 ARG CD C 13 41.444 0.200 . 1 . . . . 33 ARG CD . 15687 1 340 . 1 1 33 33 ARG CG C 13 26.851 0.200 . 1 . . . . 33 ARG CG . 15687 1 341 . 1 1 33 33 ARG N N 15 119.600 0.200 . 1 . . . . 33 ARG N . 15687 1 342 . 1 1 34 34 LEU H H 1 8.070 0.020 . 1 . . . . 34 LEU H . 15687 1 343 . 1 1 34 34 LEU HA H 1 3.600 0.020 . 1 . . . . 34 LEU HA . 15687 1 344 . 1 1 34 34 LEU HB2 H 1 1.452 0.020 . 2 . . . . 34 LEU HB2 . 15687 1 345 . 1 1 34 34 LEU HB3 H 1 0.088 0.020 . 2 . . . . 34 LEU HB3 . 15687 1 346 . 1 1 34 34 LEU HD11 H 1 0.867 0.020 . 2 . . . . 34 LEU HD1 . 15687 1 347 . 1 1 34 34 LEU HD12 H 1 0.867 0.020 . 2 . . . . 34 LEU HD1 . 15687 1 348 . 1 1 34 34 LEU HD13 H 1 0.867 0.020 . 2 . . . . 34 LEU HD1 . 15687 1 349 . 1 1 34 34 LEU HD21 H 1 0.750 0.020 . 2 . . . . 34 LEU HD2 . 15687 1 350 . 1 1 34 34 LEU HD22 H 1 0.750 0.020 . 2 . . . . 34 LEU HD2 . 15687 1 351 . 1 1 34 34 LEU HD23 H 1 0.750 0.020 . 2 . . . . 34 LEU HD2 . 15687 1 352 . 1 1 34 34 LEU HG H 1 1.564 0.020 . 1 . . . . 34 LEU HG . 15687 1 353 . 1 1 34 34 LEU CA C 13 58.200 0.200 . 1 . . . . 34 LEU CA . 15687 1 354 . 1 1 34 34 LEU CB C 13 41.700 0.200 . 1 . . . . 34 LEU CB . 15687 1 355 . 1 1 34 34 LEU CD1 C 13 28.433 0.200 . 2 . . . . 34 LEU CD1 . 15687 1 356 . 1 1 34 34 LEU CD2 C 13 25.256 0.200 . 2 . . . . 34 LEU CD2 . 15687 1 357 . 1 1 34 34 LEU CG C 13 27.246 0.200 . 1 . . . . 34 LEU CG . 15687 1 358 . 1 1 34 34 LEU N N 15 119.900 0.200 . 1 . . . . 34 LEU N . 15687 1 359 . 1 1 35 35 LYS H H 1 7.790 0.020 . 1 . . . . 35 LYS H . 15687 1 360 . 1 1 35 35 LYS HA H 1 3.730 0.020 . 1 . . . . 35 LYS HA . 15687 1 361 . 1 1 35 35 LYS HB2 H 1 1.800 0.020 . 2 . . . . 35 LYS HB2 . 15687 1 362 . 1 1 35 35 LYS HB3 H 1 1.624 0.020 . 2 . . . . 35 LYS HB3 . 15687 1 363 . 1 1 35 35 LYS HE2 H 1 2.404 0.020 . 2 . . . . 35 LYS HE2 . 15687 1 364 . 1 1 35 35 LYS HE3 H 1 2.404 0.020 . 2 . . . . 35 LYS HE3 . 15687 1 365 . 1 1 35 35 LYS HG2 H 1 1.359 0.020 . 2 . . . . 35 LYS HG2 . 15687 1 366 . 1 1 35 35 LYS HG3 H 1 1.359 0.020 . 2 . . . . 35 LYS HG3 . 15687 1 367 . 1 1 35 35 LYS CA C 13 61.000 0.200 . 1 . . . . 35 LYS CA . 15687 1 368 . 1 1 35 35 LYS CB C 13 33.100 0.200 . 1 . . . . 35 LYS CB . 15687 1 369 . 1 1 35 35 LYS CD C 13 29.843 0.200 . 1 . . . . 35 LYS CD . 15687 1 370 . 1 1 35 35 LYS CE C 13 42.028 0.200 . 1 . . . . 35 LYS CE . 15687 1 371 . 1 1 35 35 LYS N N 15 118.300 0.200 . 1 . . . . 35 LYS N . 15687 1 372 . 1 1 36 36 VAL H H 1 7.210 0.020 . 1 . . . . 36 VAL H . 15687 1 373 . 1 1 36 36 VAL HA H 1 3.520 0.020 . 1 . . . . 36 VAL HA . 15687 1 374 . 1 1 36 36 VAL HB H 1 2.030 0.020 . 1 . . . . 36 VAL HB . 15687 1 375 . 1 1 36 36 VAL HG11 H 1 0.893 0.020 . 2 . . . . 36 VAL HG1 . 15687 1 376 . 1 1 36 36 VAL HG12 H 1 0.893 0.020 . 2 . . . . 36 VAL HG1 . 15687 1 377 . 1 1 36 36 VAL HG13 H 1 0.893 0.020 . 2 . . . . 36 VAL HG1 . 15687 1 378 . 1 1 36 36 VAL HG21 H 1 0.748 0.020 . 2 . . . . 36 VAL HG2 . 15687 1 379 . 1 1 36 36 VAL HG22 H 1 0.748 0.020 . 2 . . . . 36 VAL HG2 . 15687 1 380 . 1 1 36 36 VAL HG23 H 1 0.748 0.020 . 2 . . . . 36 VAL HG2 . 15687 1 381 . 1 1 36 36 VAL CA C 13 66.400 0.200 . 1 . . . . 36 VAL CA . 15687 1 382 . 1 1 36 36 VAL CB C 13 32.300 0.200 . 1 . . . . 36 VAL CB . 15687 1 383 . 1 1 36 36 VAL CG1 C 13 21.653 0.200 . 2 . . . . 36 VAL CG1 . 15687 1 384 . 1 1 36 36 VAL CG2 C 13 23.144 0.200 . 2 . . . . 36 VAL CG2 . 15687 1 385 . 1 1 36 36 VAL N N 15 119.000 0.200 . 1 . . . . 36 VAL N . 15687 1 386 . 1 1 37 37 GLU H H 1 8.140 0.020 . 1 . . . . 37 GLU H . 15687 1 387 . 1 1 37 37 GLU HA H 1 3.670 0.020 . 1 . . . . 37 GLU HA . 15687 1 388 . 1 1 37 37 GLU HB2 H 1 2.030 0.020 . 2 . . . . 37 GLU HB2 . 15687 1 389 . 1 1 37 37 GLU HB3 H 1 2.030 0.020 . 2 . . . . 37 GLU HB3 . 15687 1 390 . 1 1 37 37 GLU CA C 13 59.000 0.200 . 1 . . . . 37 GLU CA . 15687 1 391 . 1 1 37 37 GLU CB C 13 30.200 0.200 . 1 . . . . 37 GLU CB . 15687 1 392 . 1 1 37 37 GLU CG C 13 34.537 0.200 . 1 . . . . 37 GLU CG . 15687 1 393 . 1 1 37 37 GLU N N 15 118.700 0.200 . 1 . . . . 37 GLU N . 15687 1 394 . 1 1 38 38 TYR H H 1 8.170 0.020 . 1 . . . . 38 TYR H . 15687 1 395 . 1 1 38 38 TYR HA H 1 4.650 0.020 . 1 . . . . 38 TYR HA . 15687 1 396 . 1 1 38 38 TYR HB2 H 1 3.000 0.020 . 2 . . . . 38 TYR HB2 . 15687 1 397 . 1 1 38 38 TYR HB3 H 1 2.240 0.020 . 2 . . . . 38 TYR HB3 . 15687 1 398 . 1 1 38 38 TYR CA C 13 59.100 0.200 . 1 . . . . 38 TYR CA . 15687 1 399 . 1 1 38 38 TYR CB C 13 40.300 0.200 . 1 . . . . 38 TYR CB . 15687 1 400 . 1 1 38 38 TYR N N 15 112.500 0.200 . 1 . . . . 38 TYR N . 15687 1 401 . 1 1 39 39 GLY H H 1 7.370 0.020 . 1 . . . . 39 GLY H . 15687 1 402 . 1 1 39 39 GLY HA2 H 1 4.010 0.020 . 2 . . . . 39 GLY HA2 . 15687 1 403 . 1 1 39 39 GLY HA3 H 1 4.010 0.020 . 2 . . . . 39 GLY HA3 . 15687 1 404 . 1 1 39 39 GLY CA C 13 46.700 0.200 . 1 . . . . 39 GLY CA . 15687 1 405 . 1 1 39 39 GLY N N 15 108.200 0.200 . 1 . . . . 39 GLY N . 15687 1 406 . 1 1 40 40 SER H H 1 7.760 0.020 . 1 . . . . 40 SER H . 15687 1 407 . 1 1 40 40 SER N N 15 121.100 0.200 . 1 . . . . 40 SER N . 15687 1 408 . 1 1 41 41 GLU H H 1 9.090 0.020 . 1 . . . . 41 GLU H . 15687 1 409 . 1 1 41 41 GLU HA H 1 4.030 0.020 . 1 . . . . 41 GLU HA . 15687 1 410 . 1 1 41 41 GLU HB2 H 1 1.990 0.020 . 2 . . . . 41 GLU HB2 . 15687 1 411 . 1 1 41 41 GLU HB3 H 1 1.990 0.020 . 2 . . . . 41 GLU HB3 . 15687 1 412 . 1 1 41 41 GLU HG2 H 1 2.326 0.020 . 2 . . . . 41 GLU HG2 . 15687 1 413 . 1 1 41 41 GLU HG3 H 1 2.326 0.020 . 2 . . . . 41 GLU HG3 . 15687 1 414 . 1 1 41 41 GLU CA C 13 60.100 0.200 . 1 . . . . 41 GLU CA . 15687 1 415 . 1 1 41 41 GLU CB C 13 30.100 0.200 . 1 . . . . 41 GLU CB . 15687 1 416 . 1 1 41 41 GLU CG C 13 37.350 0.200 . 1 . . . . 41 GLU CG . 15687 1 417 . 1 1 41 41 GLU N N 15 120.600 0.200 . 1 . . . . 41 GLU N . 15687 1 418 . 1 1 42 42 PHE H H 1 7.310 0.020 . 1 . . . . 42 PHE H . 15687 1 419 . 1 1 42 42 PHE HA H 1 3.840 0.020 . 1 . . . . 42 PHE HA . 15687 1 420 . 1 1 42 42 PHE HB2 H 1 3.339 0.020 . 2 . . . . 42 PHE HB2 . 15687 1 421 . 1 1 42 42 PHE HB3 H 1 2.720 0.020 . 2 . . . . 42 PHE HB3 . 15687 1 422 . 1 1 42 42 PHE CA C 13 62.200 0.200 . 1 . . . . 42 PHE CA . 15687 1 423 . 1 1 42 42 PHE CB C 13 40.800 0.200 . 1 . . . . 42 PHE CB . 15687 1 424 . 1 1 42 42 PHE N N 15 117.900 0.200 . 1 . . . . 42 PHE N . 15687 1 425 . 1 1 43 43 THR H H 1 8.190 0.020 . 1 . . . . 43 THR H . 15687 1 426 . 1 1 43 43 THR HA H 1 3.640 0.020 . 1 . . . . 43 THR HA . 15687 1 427 . 1 1 43 43 THR HB H 1 4.120 0.020 . 1 . . . . 43 THR HB . 15687 1 428 . 1 1 43 43 THR HG21 H 1 0.986 0.020 . . . . . . 43 THR HG2 . 15687 1 429 . 1 1 43 43 THR HG22 H 1 0.986 0.020 . . . . . . 43 THR HG2 . 15687 1 430 . 1 1 43 43 THR HG23 H 1 0.986 0.020 . . . . . . 43 THR HG2 . 15687 1 431 . 1 1 43 43 THR CA C 13 67.300 0.200 . 1 . . . . 43 THR CA . 15687 1 432 . 1 1 43 43 THR CB C 13 68.500 0.200 . 1 . . . . 43 THR CB . 15687 1 433 . 1 1 43 43 THR CG2 C 13 23.375 0.200 . 1 . . . . 43 THR CG2 . 15687 1 434 . 1 1 43 43 THR N N 15 115.800 0.200 . 1 . . . . 43 THR N . 15687 1 435 . 1 1 44 44 LYS H H 1 8.570 0.020 . 1 . . . . 44 LYS H . 15687 1 436 . 1 1 44 44 LYS HA H 1 4.170 0.020 . 1 . . . . 44 LYS HA . 15687 1 437 . 1 1 44 44 LYS HB2 H 1 1.810 0.020 . 2 . . . . 44 LYS HB2 . 15687 1 438 . 1 1 44 44 LYS HB3 H 1 1.810 0.020 . 2 . . . . 44 LYS HB3 . 15687 1 439 . 1 1 44 44 LYS HE2 H 1 2.840 0.020 . 2 . . . . 44 LYS HE2 . 15687 1 440 . 1 1 44 44 LYS HE3 H 1 2.840 0.020 . 2 . . . . 44 LYS HE3 . 15687 1 441 . 1 1 44 44 LYS HG2 H 1 1.412 0.020 . 2 . . . . 44 LYS HG2 . 15687 1 442 . 1 1 44 44 LYS HG3 H 1 1.412 0.020 . 2 . . . . 44 LYS HG3 . 15687 1 443 . 1 1 44 44 LYS CA C 13 59.300 0.200 . 1 . . . . 44 LYS CA . 15687 1 444 . 1 1 44 44 LYS CB C 13 33.100 0.200 . 1 . . . . 44 LYS CB . 15687 1 445 . 1 1 44 44 LYS CD C 13 29.809 0.200 . 1 . . . . 44 LYS CD . 15687 1 446 . 1 1 44 44 LYS CE C 13 42.472 0.200 . 1 . . . . 44 LYS CE . 15687 1 447 . 1 1 44 44 LYS CG C 13 25.617 0.200 . 1 . . . . 44 LYS CG . 15687 1 448 . 1 1 44 44 LYS N N 15 119.300 0.200 . 1 . . . . 44 LYS N . 15687 1 449 . 1 1 45 45 GLN H H 1 7.020 0.020 . 1 . . . . 45 GLN H . 15687 1 450 . 1 1 45 45 GLN HA H 1 4.080 0.020 . 1 . . . . 45 GLN HA . 15687 1 451 . 1 1 45 45 GLN HB2 H 1 1.820 0.020 . 2 . . . . 45 GLN HB2 . 15687 1 452 . 1 1 45 45 GLN HB3 H 1 1.810 0.020 . 2 . . . . 45 GLN HB3 . 15687 1 453 . 1 1 45 45 GLN HG2 H 1 2.263 0.020 . 2 . . . . 45 GLN HG2 . 15687 1 454 . 1 1 45 45 GLN HG3 H 1 2.062 0.020 . 2 . . . . 45 GLN HG3 . 15687 1 455 . 1 1 45 45 GLN CA C 13 57.400 0.200 . 1 . . . . 45 GLN CA . 15687 1 456 . 1 1 45 45 GLN CB C 13 30.000 0.200 . 1 . . . . 45 GLN CB . 15687 1 457 . 1 1 45 45 GLN CG C 13 34.722 0.200 . 1 . . . . 45 GLN CG . 15687 1 458 . 1 1 45 45 GLN N N 15 113.500 0.200 . 1 . . . . 45 GLN N . 15687 1 459 . 1 1 46 46 MET H H 1 6.940 0.020 . 1 . . . . 46 MET H . 15687 1 460 . 1 1 46 46 MET HA H 1 4.570 0.020 . 1 . . . . 46 MET HA . 15687 1 461 . 1 1 46 46 MET HB2 H 1 1.451 0.020 . 2 . . . . 46 MET HB2 . 15687 1 462 . 1 1 46 46 MET HB3 H 1 1.450 0.020 . 2 . . . . 46 MET HB3 . 15687 1 463 . 1 1 46 46 MET HG2 H 1 1.904 0.020 . 2 . . . . 46 MET HG2 . 15687 1 464 . 1 1 46 46 MET HG3 H 1 1.904 0.020 . 2 . . . . 46 MET HG3 . 15687 1 465 . 1 1 46 46 MET CA C 13 55.500 0.200 . 1 . . . . 46 MET CA . 15687 1 466 . 1 1 46 46 MET CB C 13 34.400 0.200 . 1 . . . . 46 MET CB . 15687 1 467 . 1 1 46 46 MET CG C 13 32.736 0.200 . 1 . . . . 46 MET CG . 15687 1 468 . 1 1 46 46 MET N N 15 111.200 0.200 . 1 . . . . 46 MET N . 15687 1 469 . 1 1 47 47 TYR H H 1 8.390 0.020 . 1 . . . . 47 TYR H . 15687 1 470 . 1 1 47 47 TYR HA H 1 4.140 0.020 . 1 . . . . 47 TYR HA . 15687 1 471 . 1 1 47 47 TYR HB2 H 1 2.700 0.020 . 2 . . . . 47 TYR HB2 . 15687 1 472 . 1 1 47 47 TYR HB3 H 1 2.440 0.020 . 2 . . . . 47 TYR HB3 . 15687 1 473 . 1 1 47 47 TYR HE1 H 1 6.411 0.020 . 3 . . . . 47 TYR HE1 . 15687 1 474 . 1 1 47 47 TYR HE2 H 1 6.411 0.020 . 3 . . . . 47 TYR HE2 . 15687 1 475 . 1 1 47 47 TYR CA C 13 58.800 0.200 . 1 . . . . 47 TYR CA . 15687 1 476 . 1 1 47 47 TYR CB C 13 40.700 0.200 . 1 . . . . 47 TYR CB . 15687 1 477 . 1 1 47 47 TYR N N 15 117.600 0.200 . 1 . . . . 47 TYR N . 15687 1 478 . 1 1 48 48 ASP H H 1 8.030 0.020 . 1 . . . . 48 ASP H . 15687 1 479 . 1 1 48 48 ASP HA H 1 4.890 0.020 . 1 . . . . 48 ASP HA . 15687 1 480 . 1 1 48 48 ASP HB2 H 1 2.773 0.020 . 2 . . . . 48 ASP HB2 . 15687 1 481 . 1 1 48 48 ASP HB3 H 1 2.517 0.020 . 2 . . . . 48 ASP HB3 . 15687 1 482 . 1 1 48 48 ASP CA C 13 51.600 0.200 . 1 . . . . 48 ASP CA . 15687 1 483 . 1 1 48 48 ASP CB C 13 41.200 0.200 . 1 . . . . 48 ASP CB . 15687 1 484 . 1 1 48 48 ASP N N 15 122.000 0.200 . 1 . . . . 48 ASP N . 15687 1 485 . 1 1 49 49 GLY H H 1 8.010 0.020 . 1 . . . . 49 GLY H . 15687 1 486 . 1 1 49 49 GLY HA2 H 1 3.500 0.020 . 2 . . . . 49 GLY HA2 . 15687 1 487 . 1 1 49 49 GLY HA3 H 1 3.830 0.020 . 2 . . . . 49 GLY HA3 . 15687 1 488 . 1 1 49 49 GLY CA C 13 47.200 0.200 . 1 . . . . 49 GLY CA . 15687 1 489 . 1 1 49 49 GLY N N 15 112.800 0.200 . 1 . . . . 49 GLY N . 15687 1 490 . 1 1 50 50 ASN HA H 1 4.490 0.020 . 1 . . . . 50 ASN HA . 15687 1 491 . 1 1 50 50 ASN HB2 H 1 2.686 0.020 . 2 . . . . 50 ASN HB2 . 15687 1 492 . 1 1 50 50 ASN HB3 H 1 2.459 0.020 . 2 . . . . 50 ASN HB3 . 15687 1 493 . 1 1 50 50 ASN CA C 13 54.000 0.200 . 1 . . . . 50 ASN CA . 15687 1 494 . 1 1 50 50 ASN CB C 13 39.900 0.200 . 1 . . . . 50 ASN CB . 15687 1 495 . 1 1 51 51 ASN H H 1 7.520 0.020 . 1 . . . . 51 ASN H . 15687 1 496 . 1 1 51 51 ASN HA H 1 4.930 0.020 . 1 . . . . 51 ASN HA . 15687 1 497 . 1 1 51 51 ASN HB2 H 1 2.690 0.020 . 2 . . . . 51 ASN HB2 . 15687 1 498 . 1 1 51 51 ASN HB3 H 1 2.572 0.020 . 2 . . . . 51 ASN HB3 . 15687 1 499 . 1 1 51 51 ASN CA C 13 52.100 0.200 . 1 . . . . 51 ASN CA . 15687 1 500 . 1 1 51 51 ASN CB C 13 42.200 0.200 . 1 . . . . 51 ASN CB . 15687 1 501 . 1 1 51 51 ASN N N 15 116.700 0.200 . 1 . . . . 51 ASN N . 15687 1 502 . 1 1 52 52 LEU H H 1 8.530 0.020 . 1 . . . . 52 LEU H . 15687 1 503 . 1 1 52 52 LEU HA H 1 3.840 0.020 . 1 . . . . 52 LEU HA . 15687 1 504 . 1 1 52 52 LEU HB2 H 1 1.220 0.020 . 2 . . . . 52 LEU HB2 . 15687 1 505 . 1 1 52 52 LEU HB3 H 1 1.220 0.020 . 2 . . . . 52 LEU HB3 . 15687 1 506 . 1 1 52 52 LEU HD11 H 1 0.586 0.020 . 2 . . . . 52 LEU HD1 . 15687 1 507 . 1 1 52 52 LEU HD12 H 1 0.586 0.020 . 2 . . . . 52 LEU HD1 . 15687 1 508 . 1 1 52 52 LEU HD13 H 1 0.586 0.020 . 2 . . . . 52 LEU HD1 . 15687 1 509 . 1 1 52 52 LEU HD21 H 1 0.156 0.020 . 2 . . . . 52 LEU HD2 . 15687 1 510 . 1 1 52 52 LEU HD22 H 1 0.156 0.020 . 2 . . . . 52 LEU HD2 . 15687 1 511 . 1 1 52 52 LEU HD23 H 1 0.156 0.020 . 2 . . . . 52 LEU HD2 . 15687 1 512 . 1 1 52 52 LEU HG H 1 1.330 0.020 . 1 . . . . 52 LEU HG . 15687 1 513 . 1 1 52 52 LEU CA C 13 55.400 0.200 . 1 . . . . 52 LEU CA . 15687 1 514 . 1 1 52 52 LEU CB C 13 43.200 0.200 . 1 . . . . 52 LEU CB . 15687 1 515 . 1 1 52 52 LEU CD1 C 13 26.475 0.200 . 2 . . . . 52 LEU CD1 . 15687 1 516 . 1 1 52 52 LEU CD2 C 13 23.917 0.200 . 2 . . . . 52 LEU CD2 . 15687 1 517 . 1 1 52 52 LEU CG C 13 26.902 0.200 . 1 . . . . 52 LEU CG . 15687 1 518 . 1 1 52 52 LEU N N 15 123.100 0.200 . 1 . . . . 52 LEU N . 15687 1 519 . 1 1 53 53 PHE H H 1 8.180 0.020 . 1 . . . . 53 PHE H . 15687 1 520 . 1 1 53 53 PHE HA H 1 4.230 0.020 . 1 . . . . 53 PHE HA . 15687 1 521 . 1 1 53 53 PHE HB2 H 1 3.330 0.020 . 2 . . . . 53 PHE HB2 . 15687 1 522 . 1 1 53 53 PHE HB3 H 1 2.469 0.020 . 2 . . . . 53 PHE HB3 . 15687 1 523 . 1 1 53 53 PHE CA C 13 60.700 0.200 . 1 . . . . 53 PHE CA . 15687 1 524 . 1 1 53 53 PHE CB C 13 40.400 0.200 . 1 . . . . 53 PHE CB . 15687 1 525 . 1 1 53 53 PHE N N 15 122.100 0.200 . 1 . . . . 53 PHE N . 15687 1 526 . 1 1 54 54 LYS H H 1 8.740 0.020 . 1 . . . . 54 LYS H . 15687 1 527 . 1 1 54 54 LYS HA H 1 3.930 0.020 . 1 . . . . 54 LYS HA . 15687 1 528 . 1 1 54 54 LYS HB2 H 1 1.730 0.020 . 2 . . . . 54 LYS HB2 . 15687 1 529 . 1 1 54 54 LYS HB3 H 1 1.730 0.020 . 2 . . . . 54 LYS HB3 . 15687 1 530 . 1 1 54 54 LYS HG2 H 1 1.409 0.020 . 2 . . . . 54 LYS HG2 . 15687 1 531 . 1 1 54 54 LYS HG3 H 1 1.409 0.020 . 2 . . . . 54 LYS HG3 . 15687 1 532 . 1 1 54 54 LYS CA C 13 59.100 0.200 . 1 . . . . 54 LYS CA . 15687 1 533 . 1 1 54 54 LYS CB C 13 32.700 0.200 . 1 . . . . 54 LYS CB . 15687 1 534 . 1 1 54 54 LYS CD C 13 28.944 0.200 . 1 . . . . 54 LYS CD . 15687 1 535 . 1 1 54 54 LYS CE C 13 42.238 0.200 . 1 . . . . 54 LYS CE . 15687 1 536 . 1 1 54 54 LYS N N 15 121.500 0.200 . 1 . . . . 54 LYS N . 15687 1 537 . 1 1 55 55 ASN H H 1 8.150 0.020 . 1 . . . . 55 ASN H . 15687 1 538 . 1 1 55 55 ASN HA H 1 4.600 0.020 . 1 . . . . 55 ASN HA . 15687 1 539 . 1 1 55 55 ASN HB2 H 1 2.850 0.020 . 2 . . . . 55 ASN HB2 . 15687 1 540 . 1 1 55 55 ASN HB3 H 1 2.675 0.020 . 2 . . . . 55 ASN HB3 . 15687 1 541 . 1 1 55 55 ASN CA C 13 53.300 0.200 . 1 . . . . 55 ASN CA . 15687 1 542 . 1 1 55 55 ASN CB C 13 37.600 0.200 . 1 . . . . 55 ASN CB . 15687 1 543 . 1 1 55 55 ASN N N 15 111.300 0.200 . 1 . . . . 55 ASN N . 15687 1 544 . 1 1 56 56 VAL H H 1 7.000 0.020 . 1 . . . . 56 VAL H . 15687 1 545 . 1 1 56 56 VAL HA H 1 3.750 0.020 . 1 . . . . 56 VAL HA . 15687 1 546 . 1 1 56 56 VAL HB H 1 2.060 0.020 . 1 . . . . 56 VAL HB . 15687 1 547 . 1 1 56 56 VAL HG11 H 1 0.850 0.020 . 2 . . . . 56 VAL HG1 . 15687 1 548 . 1 1 56 56 VAL HG12 H 1 0.850 0.020 . 2 . . . . 56 VAL HG1 . 15687 1 549 . 1 1 56 56 VAL HG13 H 1 0.850 0.020 . 2 . . . . 56 VAL HG1 . 15687 1 550 . 1 1 56 56 VAL HG21 H 1 1.219 0.020 . 2 . . . . 56 VAL HG2 . 15687 1 551 . 1 1 56 56 VAL HG22 H 1 1.219 0.020 . 2 . . . . 56 VAL HG2 . 15687 1 552 . 1 1 56 56 VAL HG23 H 1 1.219 0.020 . 2 . . . . 56 VAL HG2 . 15687 1 553 . 1 1 56 56 VAL CA C 13 64.600 0.200 . 1 . . . . 56 VAL CA . 15687 1 554 . 1 1 56 56 VAL CB C 13 32.500 0.200 . 1 . . . . 56 VAL CB . 15687 1 555 . 1 1 56 56 VAL CG1 C 13 25.433 0.200 . 2 . . . . 56 VAL CG1 . 15687 1 556 . 1 1 56 56 VAL CG2 C 13 22.349 0.200 . 2 . . . . 56 VAL CG2 . 15687 1 557 . 1 1 56 56 VAL N N 15 119.500 0.200 . 1 . . . . 56 VAL N . 15687 1 558 . 1 1 57 57 ILE H H 1 8.160 0.020 . 1 . . . . 57 ILE H . 15687 1 559 . 1 1 57 57 ILE HA H 1 4.320 0.020 . 1 . . . . 57 ILE HA . 15687 1 560 . 1 1 57 57 ILE HB H 1 1.530 0.020 . 1 . . . . 57 ILE HB . 15687 1 561 . 1 1 57 57 ILE HD11 H 1 0.450 0.020 . 1 . . . . 57 ILE HD1 . 15687 1 562 . 1 1 57 57 ILE HD12 H 1 0.450 0.020 . 1 . . . . 57 ILE HD1 . 15687 1 563 . 1 1 57 57 ILE HD13 H 1 0.450 0.020 . 1 . . . . 57 ILE HD1 . 15687 1 564 . 1 1 57 57 ILE HG12 H 1 1.270 0.020 . 2 . . . . 57 ILE HG12 . 15687 1 565 . 1 1 57 57 ILE HG13 H 1 0.704 0.020 . 2 . . . . 57 ILE HG13 . 15687 1 566 . 1 1 57 57 ILE HG21 H 1 0.604 0.020 . 1 . . . . 57 ILE HG2 . 15687 1 567 . 1 1 57 57 ILE HG22 H 1 0.604 0.020 . 1 . . . . 57 ILE HG2 . 15687 1 568 . 1 1 57 57 ILE HG23 H 1 0.604 0.020 . 1 . . . . 57 ILE HG2 . 15687 1 569 . 1 1 57 57 ILE CA C 13 61.300 0.200 . 1 . . . . 57 ILE CA . 15687 1 570 . 1 1 57 57 ILE CB C 13 41.000 0.200 . 1 . . . . 57 ILE CB . 15687 1 571 . 1 1 57 57 ILE CD1 C 13 13.532 0.200 . 1 . . . . 57 ILE CD1 . 15687 1 572 . 1 1 57 57 ILE CG1 C 13 27.752 0.200 . 1 . . . . 57 ILE CG1 . 15687 1 573 . 1 1 57 57 ILE CG2 C 13 18.258 0.200 . 1 . . . . 57 ILE CG2 . 15687 1 574 . 1 1 57 57 ILE N N 15 128.400 0.200 . 1 . . . . 57 ILE N . 15687 1 575 . 1 1 58 58 ILE H H 1 8.750 0.020 . 1 . . . . 58 ILE H . 15687 1 576 . 1 1 58 58 ILE HA H 1 5.080 0.020 . 1 . . . . 58 ILE HA . 15687 1 577 . 1 1 58 58 ILE HB H 1 1.570 0.020 . 1 . . . . 58 ILE HB . 15687 1 578 . 1 1 58 58 ILE HD11 H 1 0.597 0.020 . 1 . . . . 58 ILE HD1 . 15687 1 579 . 1 1 58 58 ILE HD12 H 1 0.597 0.020 . 1 . . . . 58 ILE HD1 . 15687 1 580 . 1 1 58 58 ILE HD13 H 1 0.597 0.020 . 1 . . . . 58 ILE HD1 . 15687 1 581 . 1 1 58 58 ILE HG12 H 1 1.523 0.020 . 2 . . . . 58 ILE HG12 . 15687 1 582 . 1 1 58 58 ILE HG13 H 1 0.838 0.020 . 2 . . . . 58 ILE HG13 . 15687 1 583 . 1 1 58 58 ILE HG21 H 1 0.633 0.020 . 1 . . . . 58 ILE HG2 . 15687 1 584 . 1 1 58 58 ILE HG22 H 1 0.633 0.020 . 1 . . . . 58 ILE HG2 . 15687 1 585 . 1 1 58 58 ILE HG23 H 1 0.633 0.020 . 1 . . . . 58 ILE HG2 . 15687 1 586 . 1 1 58 58 ILE CA C 13 60.700 0.200 . 1 . . . . 58 ILE CA . 15687 1 587 . 1 1 58 58 ILE CB C 13 39.300 0.200 . 1 . . . . 58 ILE CB . 15687 1 588 . 1 1 58 58 ILE CD1 C 13 14.332 0.200 . 1 . . . . 58 ILE CD1 . 15687 1 589 . 1 1 58 58 ILE CG1 C 13 27.677 0.200 . 1 . . . . 58 ILE CG1 . 15687 1 590 . 1 1 58 58 ILE CG2 C 13 17.381 0.200 . 1 . . . . 58 ILE CG2 . 15687 1 591 . 1 1 58 58 ILE N N 15 127.200 0.200 . 1 . . . . 58 ILE N . 15687 1 592 . 1 1 59 59 LEU H H 1 8.600 0.020 . 1 . . . . 59 LEU H . 15687 1 593 . 1 1 59 59 LEU HA H 1 5.200 0.020 . 1 . . . . 59 LEU HA . 15687 1 594 . 1 1 59 59 LEU HB2 H 1 2.115 0.020 . 2 . . . . 59 LEU HB2 . 15687 1 595 . 1 1 59 59 LEU HB3 H 1 0.764 0.020 . 2 . . . . 59 LEU HB3 . 15687 1 596 . 1 1 59 59 LEU HD11 H 1 0.485 0.020 . 2 . . . . 59 LEU HD1 . 15687 1 597 . 1 1 59 59 LEU HD12 H 1 0.485 0.020 . 2 . . . . 59 LEU HD1 . 15687 1 598 . 1 1 59 59 LEU HD13 H 1 0.485 0.020 . 2 . . . . 59 LEU HD1 . 15687 1 599 . 1 1 59 59 LEU HG H 1 1.556 0.020 . 1 . . . . 59 LEU HG . 15687 1 600 . 1 1 59 59 LEU CA C 13 52.400 0.200 . 1 . . . . 59 LEU CA . 15687 1 601 . 1 1 59 59 LEU CB C 13 45.300 0.200 . 1 . . . . 59 LEU CB . 15687 1 602 . 1 1 59 59 LEU CD1 C 13 22.857 0.200 . 2 . . . . 59 LEU CD1 . 15687 1 603 . 1 1 59 59 LEU CD2 C 13 22.857 0.200 . 2 . . . . 59 LEU CD2 . 15687 1 604 . 1 1 59 59 LEU CG C 13 27.048 0.200 . 1 . . . . 59 LEU CG . 15687 1 605 . 1 1 59 59 LEU N N 15 123.200 0.200 . 1 . . . . 59 LEU N . 15687 1 606 . 1 1 60 60 VAL H H 1 9.090 0.020 . 1 . . . . 60 VAL H . 15687 1 607 . 1 1 60 60 VAL HA H 1 4.340 0.020 . 1 . . . . 60 VAL HA . 15687 1 608 . 1 1 60 60 VAL HB H 1 1.780 0.020 . 1 . . . . 60 VAL HB . 15687 1 609 . 1 1 60 60 VAL HG11 H 1 0.699 0.020 . 2 . . . . 60 VAL HG1 . 15687 1 610 . 1 1 60 60 VAL HG12 H 1 0.699 0.020 . 2 . . . . 60 VAL HG1 . 15687 1 611 . 1 1 60 60 VAL HG13 H 1 0.699 0.020 . 2 . . . . 60 VAL HG1 . 15687 1 612 . 1 1 60 60 VAL CA C 13 62.000 0.200 . 1 . . . . 60 VAL CA . 15687 1 613 . 1 1 60 60 VAL CB C 13 33.600 0.200 . 1 . . . . 60 VAL CB . 15687 1 614 . 1 1 60 60 VAL CG1 C 13 21.899 0.200 . 2 . . . . 60 VAL CG1 . 15687 1 615 . 1 1 60 60 VAL N N 15 119.800 0.200 . 1 . . . . 60 VAL N . 15687 1 616 . 1 1 61 61 ASN H H 1 9.600 0.020 . 1 . . . . 61 ASN H . 15687 1 617 . 1 1 61 61 ASN HA H 1 4.260 0.020 . 1 . . . . 61 ASN HA . 15687 1 618 . 1 1 61 61 ASN HB2 H 1 2.911 0.020 . 2 . . . . 61 ASN HB2 . 15687 1 619 . 1 1 61 61 ASN HB3 H 1 2.800 0.020 . 2 . . . . 61 ASN HB3 . 15687 1 620 . 1 1 61 61 ASN CA C 13 54.800 0.200 . 1 . . . . 61 ASN CA . 15687 1 621 . 1 1 61 61 ASN CB C 13 37.900 0.200 . 1 . . . . 61 ASN CB . 15687 1 622 . 1 1 61 61 ASN N N 15 128.300 0.200 . 1 . . . . 61 ASN N . 15687 1 623 . 1 1 62 62 GLY H H 1 8.980 0.020 . 1 . . . . 62 GLY H . 15687 1 624 . 1 1 62 62 GLY HA2 H 1 4.130 0.020 . 2 . . . . 62 GLY HA2 . 15687 1 625 . 1 1 62 62 GLY HA3 H 1 3.390 0.020 . 2 . . . . 62 GLY HA3 . 15687 1 626 . 1 1 62 62 GLY CA C 13 45.900 0.200 . 1 . . . . 62 GLY CA . 15687 1 627 . 1 1 62 62 GLY N N 15 101.900 0.200 . 1 . . . . 62 GLY N . 15687 1 628 . 1 1 63 63 ASN H H 1 7.930 0.020 . 1 . . . . 63 ASN H . 15687 1 629 . 1 1 63 63 ASN HA H 1 4.900 0.020 . 1 . . . . 63 ASN HA . 15687 1 630 . 1 1 63 63 ASN HB2 H 1 2.770 0.020 . 2 . . . . 63 ASN HB2 . 15687 1 631 . 1 1 63 63 ASN HB3 H 1 2.510 0.020 . 2 . . . . 63 ASN HB3 . 15687 1 632 . 1 1 63 63 ASN CA C 13 52.200 0.200 . 1 . . . . 63 ASN CA . 15687 1 633 . 1 1 63 63 ASN CB C 13 41.500 0.200 . 1 . . . . 63 ASN CB . 15687 1 634 . 1 1 63 63 ASN N N 15 119.300 0.200 . 1 . . . . 63 ASN N . 15687 1 635 . 1 1 64 64 ASN HA H 1 4.690 0.020 . 1 . . . . 64 ASN HA . 15687 1 636 . 1 1 64 64 ASN HB2 H 1 2.773 0.020 . 2 . . . . 64 ASN HB2 . 15687 1 637 . 1 1 64 64 ASN HB3 H 1 2.467 0.020 . 2 . . . . 64 ASN HB3 . 15687 1 638 . 1 1 64 64 ASN CA C 13 54.700 0.200 . 1 . . . . 64 ASN CA . 15687 1 639 . 1 1 64 64 ASN CB C 13 38.700 0.200 . 1 . . . . 64 ASN CB . 15687 1 640 . 1 1 65 65 ILE H H 1 8.360 0.020 . 1 . . . . 65 ILE H . 15687 1 641 . 1 1 65 65 ILE HA H 1 4.090 0.020 . 1 . . . . 65 ILE HA . 15687 1 642 . 1 1 65 65 ILE HB H 1 2.050 0.020 . 1 . . . . 65 ILE HB . 15687 1 643 . 1 1 65 65 ILE HD11 H 1 0.642 0.020 . 1 . . . . 65 ILE HD1 . 15687 1 644 . 1 1 65 65 ILE HD12 H 1 0.642 0.020 . 1 . . . . 65 ILE HD1 . 15687 1 645 . 1 1 65 65 ILE HD13 H 1 0.642 0.020 . 1 . . . . 65 ILE HD1 . 15687 1 646 . 1 1 65 65 ILE HG21 H 1 0.946 0.020 . 1 . . . . 65 ILE HG2 . 15687 1 647 . 1 1 65 65 ILE HG22 H 1 0.946 0.020 . 1 . . . . 65 ILE HG2 . 15687 1 648 . 1 1 65 65 ILE HG23 H 1 0.946 0.020 . 1 . . . . 65 ILE HG2 . 15687 1 649 . 1 1 65 65 ILE CA C 13 66.400 0.200 . 1 . . . . 65 ILE CA . 15687 1 650 . 1 1 65 65 ILE CB C 13 37.900 0.200 . 1 . . . . 65 ILE CB . 15687 1 651 . 1 1 65 65 ILE CD1 C 13 15.389 0.200 . 1 . . . . 65 ILE CD1 . 15687 1 652 . 1 1 65 65 ILE CG2 C 13 19.630 0.200 . 1 . . . . 65 ILE CG2 . 15687 1 653 . 1 1 65 65 ILE N N 15 123.300 0.200 . 1 . . . . 65 ILE N . 15687 1 654 . 1 1 66 66 THR H H 1 9.220 0.020 . 1 . . . . 66 THR H . 15687 1 655 . 1 1 66 66 THR HA H 1 3.980 0.020 . 1 . . . . 66 THR HA . 15687 1 656 . 1 1 66 66 THR HB H 1 4.122 0.020 . 1 . . . . 66 THR HB . 15687 1 657 . 1 1 66 66 THR HG21 H 1 1.176 0.020 . . . . . . 66 THR HG2 . 15687 1 658 . 1 1 66 66 THR HG22 H 1 1.176 0.020 . . . . . . 66 THR HG2 . 15687 1 659 . 1 1 66 66 THR HG23 H 1 1.176 0.020 . . . . . . 66 THR HG2 . 15687 1 660 . 1 1 66 66 THR CA C 13 65.500 0.200 . 1 . . . . 66 THR CA . 15687 1 661 . 1 1 66 66 THR CB C 13 68.700 0.200 . 1 . . . . 66 THR CB . 15687 1 662 . 1 1 66 66 THR CG2 C 13 22.076 0.200 . 1 . . . . 66 THR CG2 . 15687 1 663 . 1 1 66 66 THR N N 15 118.800 0.200 . 1 . . . . 66 THR N . 15687 1 664 . 1 1 67 67 SER H H 1 7.860 0.020 . 1 . . . . 67 SER H . 15687 1 665 . 1 1 67 67 SER HA H 1 4.520 0.020 . 1 . . . . 67 SER HA . 15687 1 666 . 1 1 67 67 SER HB2 H 1 3.966 0.020 . 2 . . . . 67 SER HB2 . 15687 1 667 . 1 1 67 67 SER HB3 H 1 3.966 0.020 . 2 . . . . 67 SER HB3 . 15687 1 668 . 1 1 67 67 SER CA C 13 59.300 0.200 . 1 . . . . 67 SER CA . 15687 1 669 . 1 1 67 67 SER CB C 13 64.900 0.200 . 1 . . . . 67 SER CB . 15687 1 670 . 1 1 67 67 SER N N 15 116.300 0.200 . 1 . . . . 67 SER N . 15687 1 671 . 1 1 68 68 MET H H 1 7.390 0.020 . 1 . . . . 68 MET H . 15687 1 672 . 1 1 68 68 MET HA H 1 4.530 0.020 . 1 . . . . 68 MET HA . 15687 1 673 . 1 1 68 68 MET HB2 H 1 1.989 0.020 . 2 . . . . 68 MET HB2 . 15687 1 674 . 1 1 68 68 MET HB3 H 1 1.990 0.020 . 2 . . . . 68 MET HB3 . 15687 1 675 . 1 1 68 68 MET HG2 H 1 2.316 0.020 . 2 . . . . 68 MET HG2 . 15687 1 676 . 1 1 68 68 MET HG3 H 1 2.316 0.020 . 2 . . . . 68 MET HG3 . 15687 1 677 . 1 1 68 68 MET CA C 13 55.600 0.200 . 1 . . . . 68 MET CA . 15687 1 678 . 1 1 68 68 MET CB C 13 32.800 0.200 . 1 . . . . 68 MET CB . 15687 1 679 . 1 1 68 68 MET CG C 13 32.487 0.200 . 1 . . . . 68 MET CG . 15687 1 680 . 1 1 68 68 MET N N 15 124.000 0.200 . 1 . . . . 68 MET N . 15687 1 681 . 1 1 69 69 LYS H H 1 7.570 0.020 . 1 . . . . 69 LYS H . 15687 1 682 . 1 1 69 69 LYS HA H 1 4.650 0.020 . 1 . . . . 69 LYS HA . 15687 1 683 . 1 1 69 69 LYS HB2 H 1 1.940 0.020 . 2 . . . . 69 LYS HB2 . 15687 1 684 . 1 1 69 69 LYS HB3 H 1 1.114 0.020 . 2 . . . . 69 LYS HB3 . 15687 1 685 . 1 1 69 69 LYS HG2 H 1 1.272 0.020 . 2 . . . . 69 LYS HG2 . 15687 1 686 . 1 1 69 69 LYS HG3 H 1 1.272 0.020 . 2 . . . . 69 LYS HG3 . 15687 1 687 . 1 1 69 69 LYS CA C 13 54.800 0.200 . 1 . . . . 69 LYS CA . 15687 1 688 . 1 1 69 69 LYS CB C 13 33.900 0.200 . 1 . . . . 69 LYS CB . 15687 1 689 . 1 1 69 69 LYS CD C 13 30.044 0.200 . 1 . . . . 69 LYS CD . 15687 1 690 . 1 1 69 69 LYS CE C 13 42.344 0.200 . 1 . . . . 69 LYS CE . 15687 1 691 . 1 1 69 69 LYS CG C 13 25.614 0.200 . 1 . . . . 69 LYS CG . 15687 1 692 . 1 1 69 69 LYS N N 15 121.500 0.200 . 1 . . . . 69 LYS N . 15687 1 693 . 1 1 70 70 GLY H H 1 8.100 0.020 . 1 . . . . 70 GLY H . 15687 1 694 . 1 1 70 70 GLY HA2 H 1 3.130 0.020 . 2 . . . . 70 GLY HA2 . 15687 1 695 . 1 1 70 70 GLY HA3 H 1 3.910 0.020 . 2 . . . . 70 GLY HA3 . 15687 1 696 . 1 1 70 70 GLY CA C 13 47.200 0.200 . 1 . . . . 70 GLY CA . 15687 1 697 . 1 1 70 70 GLY N N 15 108.800 0.200 . 1 . . . . 70 GLY N . 15687 1 698 . 1 1 71 71 LEU H H 1 7.860 0.020 . 1 . . . . 71 LEU H . 15687 1 699 . 1 1 71 71 LEU HA H 1 3.790 0.020 . 1 . . . . 71 LEU HA . 15687 1 700 . 1 1 71 71 LEU HB2 H 1 1.740 0.020 . 2 . . . . 71 LEU HB2 . 15687 1 701 . 1 1 71 71 LEU HB3 H 1 1.360 0.020 . 2 . . . . 71 LEU HB3 . 15687 1 702 . 1 1 71 71 LEU HD11 H 1 0.819 0.020 . 2 . . . . 71 LEU HD1 . 15687 1 703 . 1 1 71 71 LEU HD12 H 1 0.819 0.020 . 2 . . . . 71 LEU HD1 . 15687 1 704 . 1 1 71 71 LEU HD13 H 1 0.819 0.020 . 2 . . . . 71 LEU HD1 . 15687 1 705 . 1 1 71 71 LEU HD21 H 1 0.632 0.020 . 2 . . . . 71 LEU HD2 . 15687 1 706 . 1 1 71 71 LEU HD22 H 1 0.632 0.020 . 2 . . . . 71 LEU HD2 . 15687 1 707 . 1 1 71 71 LEU HD23 H 1 0.632 0.020 . 2 . . . . 71 LEU HD2 . 15687 1 708 . 1 1 71 71 LEU HG H 1 1.595 0.020 . 1 . . . . 71 LEU HG . 15687 1 709 . 1 1 71 71 LEU CA C 13 57.600 0.200 . 1 . . . . 71 LEU CA . 15687 1 710 . 1 1 71 71 LEU CB C 13 41.800 0.200 . 1 . . . . 71 LEU CB . 15687 1 711 . 1 1 71 71 LEU CD1 C 13 25.430 0.200 . 2 . . . . 71 LEU CD1 . 15687 1 712 . 1 1 71 71 LEU CD2 C 13 24.015 0.200 . 2 . . . . 71 LEU CD2 . 15687 1 713 . 1 1 71 71 LEU CG C 13 28.717 0.200 . 1 . . . . 71 LEU CG . 15687 1 714 . 1 1 71 71 LEU N N 15 119.800 0.200 . 1 . . . . 71 LEU N . 15687 1 715 . 1 1 72 72 ASP H H 1 7.480 0.020 . 1 . . . . 72 ASP H . 15687 1 716 . 1 1 72 72 ASP HA H 1 4.700 0.020 . 1 . . . . 72 ASP HA . 15687 1 717 . 1 1 72 72 ASP HB2 H 1 2.760 0.020 . 2 . . . . 72 ASP HB2 . 15687 1 718 . 1 1 72 72 ASP HB3 H 1 2.538 0.020 . 2 . . . . 72 ASP HB3 . 15687 1 719 . 1 1 72 72 ASP CA C 13 54.700 0.200 . 1 . . . . 72 ASP CA . 15687 1 720 . 1 1 72 72 ASP CB C 13 42.100 0.200 . 1 . . . . 72 ASP CB . 15687 1 721 . 1 1 72 72 ASP N N 15 115.000 0.200 . 1 . . . . 72 ASP N . 15687 1 722 . 1 1 73 73 THR H H 1 7.220 0.020 . 1 . . . . 73 THR H . 15687 1 723 . 1 1 73 73 THR HA H 1 3.630 0.020 . 1 . . . . 73 THR HA . 15687 1 724 . 1 1 73 73 THR HB H 1 3.820 0.020 . 1 . . . . 73 THR HB . 15687 1 725 . 1 1 73 73 THR HG21 H 1 1.326 0.020 . . . . . . 73 THR HG2 . 15687 1 726 . 1 1 73 73 THR HG22 H 1 1.326 0.020 . . . . . . 73 THR HG2 . 15687 1 727 . 1 1 73 73 THR HG23 H 1 1.326 0.020 . . . . . . 73 THR HG2 . 15687 1 728 . 1 1 73 73 THR CA C 13 66.700 0.200 . 1 . . . . 73 THR CA . 15687 1 729 . 1 1 73 73 THR CB C 13 70.800 0.200 . 1 . . . . 73 THR CB . 15687 1 730 . 1 1 73 73 THR CG2 C 13 21.863 0.200 . 1 . . . . 73 THR CG2 . 15687 1 731 . 1 1 73 73 THR N N 15 117.200 0.200 . 1 . . . . 73 THR N . 15687 1 732 . 1 1 74 74 GLU H H 1 8.660 0.020 . 1 . . . . 74 GLU H . 15687 1 733 . 1 1 74 74 GLU HA H 1 4.530 0.020 . 1 . . . . 74 GLU HA . 15687 1 734 . 1 1 74 74 GLU HB2 H 1 1.913 0.020 . 2 . . . . 74 GLU HB2 . 15687 1 735 . 1 1 74 74 GLU HB3 H 1 1.910 0.020 . 2 . . . . 74 GLU HB3 . 15687 1 736 . 1 1 74 74 GLU HG2 H 1 2.291 0.020 . 2 . . . . 74 GLU HG2 . 15687 1 737 . 1 1 74 74 GLU HG3 H 1 2.291 0.020 . 2 . . . . 74 GLU HG3 . 15687 1 738 . 1 1 74 74 GLU CA C 13 57.000 0.200 . 1 . . . . 74 GLU CA . 15687 1 739 . 1 1 74 74 GLU CB C 13 30.900 0.200 . 1 . . . . 74 GLU CB . 15687 1 740 . 1 1 74 74 GLU CG C 13 37.373 0.200 . 1 . . . . 74 GLU CG . 15687 1 741 . 1 1 74 74 GLU N N 15 128.600 0.200 . 1 . . . . 74 GLU N . 15687 1 742 . 1 1 75 75 ILE H H 1 7.580 0.020 . 1 . . . . 75 ILE H . 15687 1 743 . 1 1 75 75 ILE HA H 1 4.420 0.020 . 1 . . . . 75 ILE HA . 15687 1 744 . 1 1 75 75 ILE HB H 1 1.600 0.020 . 1 . . . . 75 ILE HB . 15687 1 745 . 1 1 75 75 ILE HD11 H 1 0.445 0.020 . 1 . . . . 75 ILE HD1 . 15687 1 746 . 1 1 75 75 ILE HD12 H 1 0.445 0.020 . 1 . . . . 75 ILE HD1 . 15687 1 747 . 1 1 75 75 ILE HD13 H 1 0.445 0.020 . 1 . . . . 75 ILE HD1 . 15687 1 748 . 1 1 75 75 ILE HG12 H 1 0.624 0.020 . 2 . . . . 75 ILE HG12 . 15687 1 749 . 1 1 75 75 ILE HG13 H 1 0.624 0.020 . 2 . . . . 75 ILE HG13 . 15687 1 750 . 1 1 75 75 ILE HG21 H 1 0.696 0.020 . 1 . . . . 75 ILE HG2 . 15687 1 751 . 1 1 75 75 ILE HG22 H 1 0.696 0.020 . 1 . . . . 75 ILE HG2 . 15687 1 752 . 1 1 75 75 ILE HG23 H 1 0.696 0.020 . 1 . . . . 75 ILE HG2 . 15687 1 753 . 1 1 75 75 ILE CA C 13 59.400 0.200 . 1 . . . . 75 ILE CA . 15687 1 754 . 1 1 75 75 ILE CB C 13 40.900 0.200 . 1 . . . . 75 ILE CB . 15687 1 755 . 1 1 75 75 ILE CD1 C 13 13.912 0.200 . 1 . . . . 75 ILE CD1 . 15687 1 756 . 1 1 75 75 ILE CG1 C 13 26.264 0.200 . 1 . . . . 75 ILE CG1 . 15687 1 757 . 1 1 75 75 ILE CG2 C 13 19.983 0.200 . 1 . . . . 75 ILE CG2 . 15687 1 758 . 1 1 75 75 ILE N N 15 118.800 0.200 . 1 . . . . 75 ILE N . 15687 1 759 . 1 1 76 76 LYS H H 1 8.970 0.020 . 1 . . . . 76 LYS H . 15687 1 760 . 1 1 76 76 LYS HA H 1 4.110 0.020 . 1 . . . . 76 LYS HA . 15687 1 761 . 1 1 76 76 LYS HB2 H 1 1.540 0.020 . 2 . . . . 76 LYS HB2 . 15687 1 762 . 1 1 76 76 LYS HB3 H 1 1.540 0.020 . 2 . . . . 76 LYS HB3 . 15687 1 763 . 1 1 76 76 LYS HE2 H 1 2.855 0.020 . 2 . . . . 76 LYS HE2 . 15687 1 764 . 1 1 76 76 LYS HE3 H 1 2.855 0.020 . 2 . . . . 76 LYS HE3 . 15687 1 765 . 1 1 76 76 LYS HG2 H 1 1.219 0.020 . 2 . . . . 76 LYS HG2 . 15687 1 766 . 1 1 76 76 LYS HG3 H 1 1.103 0.020 . 2 . . . . 76 LYS HG3 . 15687 1 767 . 1 1 76 76 LYS CA C 13 54.600 0.200 . 1 . . . . 76 LYS CA . 15687 1 768 . 1 1 76 76 LYS CB C 13 35.700 0.200 . 1 . . . . 76 LYS CB . 15687 1 769 . 1 1 76 76 LYS CD C 13 29.354 0.200 . 1 . . . . 76 LYS CD . 15687 1 770 . 1 1 76 76 LYS CE C 13 42.837 0.200 . 1 . . . . 76 LYS CE . 15687 1 771 . 1 1 76 76 LYS CG C 13 24.707 0.200 . 1 . . . . 76 LYS CG . 15687 1 772 . 1 1 76 76 LYS N N 15 124.800 0.200 . 1 . . . . 76 LYS N . 15687 1 773 . 1 1 77 77 ASP H H 1 7.750 0.020 . 1 . . . . 77 ASP H . 15687 1 774 . 1 1 77 77 ASP HA H 1 4.310 0.020 . 1 . . . . 77 ASP HA . 15687 1 775 . 1 1 77 77 ASP HB2 H 1 2.590 0.020 . 2 . . . . 77 ASP HB2 . 15687 1 776 . 1 1 77 77 ASP HB3 H 1 2.409 0.020 . 2 . . . . 77 ASP HB3 . 15687 1 777 . 1 1 77 77 ASP CA C 13 56.600 0.200 . 1 . . . . 77 ASP CA . 15687 1 778 . 1 1 77 77 ASP CB C 13 42.100 0.200 . 1 . . . . 77 ASP CB . 15687 1 779 . 1 1 77 77 ASP N N 15 116.300 0.200 . 1 . . . . 77 ASP N . 15687 1 780 . 1 1 78 78 ASP H H 1 9.100 0.020 . 1 . . . . 78 ASP H . 15687 1 781 . 1 1 78 78 ASP HB2 H 1 2.590 0.020 . 2 . . . . 78 ASP HB2 . 15687 1 782 . 1 1 78 78 ASP HB3 H 1 2.410 0.020 . 2 . . . . 78 ASP HB3 . 15687 1 783 . 1 1 78 78 ASP CA C 13 56.200 0.200 . 1 . . . . 78 ASP CA . 15687 1 784 . 1 1 78 78 ASP CB C 13 41.000 0.200 . 1 . . . . 78 ASP CB . 15687 1 785 . 1 1 78 78 ASP N N 15 119.800 0.200 . 1 . . . . 78 ASP N . 15687 1 786 . 1 1 79 79 ASP H H 1 8.070 0.020 . 1 . . . . 79 ASP H . 15687 1 787 . 1 1 79 79 ASP HA H 1 4.730 0.020 . 1 . . . . 79 ASP HA . 15687 1 788 . 1 1 79 79 ASP HB2 H 1 2.160 0.020 . 2 . . . . 79 ASP HB2 . 15687 1 789 . 1 1 79 79 ASP HB3 H 1 2.162 0.020 . 2 . . . . 79 ASP HB3 . 15687 1 790 . 1 1 79 79 ASP CA C 13 56.500 0.200 . 1 . . . . 79 ASP CA . 15687 1 791 . 1 1 79 79 ASP CB C 13 42.200 0.200 . 1 . . . . 79 ASP CB . 15687 1 792 . 1 1 79 79 ASP N N 15 120.900 0.200 . 1 . . . . 79 ASP N . 15687 1 793 . 1 1 80 80 LYS H H 1 8.120 0.020 . 1 . . . . 80 LYS H . 15687 1 794 . 1 1 80 80 LYS HA H 1 4.960 0.020 . 1 . . . . 80 LYS HA . 15687 1 795 . 1 1 80 80 LYS HB2 H 1 1.780 0.020 . 2 . . . . 80 LYS HB2 . 15687 1 796 . 1 1 80 80 LYS HB3 H 1 1.334 0.020 . 2 . . . . 80 LYS HB3 . 15687 1 797 . 1 1 80 80 LYS HG2 H 1 1.339 0.020 . 2 . . . . 80 LYS HG2 . 15687 1 798 . 1 1 80 80 LYS HG3 H 1 1.339 0.020 . 2 . . . . 80 LYS HG3 . 15687 1 799 . 1 1 80 80 LYS CA C 13 54.700 0.200 . 1 . . . . 80 LYS CA . 15687 1 800 . 1 1 80 80 LYS CB C 13 34.100 0.200 . 1 . . . . 80 LYS CB . 15687 1 801 . 1 1 80 80 LYS CD C 13 29.084 0.200 . 1 . . . . 80 LYS CD . 15687 1 802 . 1 1 80 80 LYS CE C 13 42.574 0.200 . 1 . . . . 80 LYS CE . 15687 1 803 . 1 1 80 80 LYS CG C 13 25.751 0.200 . 1 . . . . 80 LYS CG . 15687 1 804 . 1 1 80 80 LYS N N 15 118.300 0.200 . 1 . . . . 80 LYS N . 15687 1 805 . 1 1 81 81 ILE H H 1 9.390 0.020 . 1 . . . . 81 ILE H . 15687 1 806 . 1 1 81 81 ILE HA H 1 5.220 0.020 . 1 . . . . 81 ILE HA . 15687 1 807 . 1 1 81 81 ILE HB H 1 1.696 0.020 . 1 . . . . 81 ILE HB . 15687 1 808 . 1 1 81 81 ILE HD11 H 1 0.675 0.020 . 1 . . . . 81 ILE HD1 . 15687 1 809 . 1 1 81 81 ILE HD12 H 1 0.675 0.020 . 1 . . . . 81 ILE HD1 . 15687 1 810 . 1 1 81 81 ILE HD13 H 1 0.675 0.020 . 1 . . . . 81 ILE HD1 . 15687 1 811 . 1 1 81 81 ILE HG12 H 1 1.253 0.020 . 2 . . . . 81 ILE HG12 . 15687 1 812 . 1 1 81 81 ILE HG13 H 1 1.047 0.020 . 2 . . . . 81 ILE HG13 . 15687 1 813 . 1 1 81 81 ILE HG21 H 1 0.625 0.020 . 1 . . . . 81 ILE HG2 . 15687 1 814 . 1 1 81 81 ILE HG22 H 1 0.625 0.020 . 1 . . . . 81 ILE HG2 . 15687 1 815 . 1 1 81 81 ILE HG23 H 1 0.625 0.020 . 1 . . . . 81 ILE HG2 . 15687 1 816 . 1 1 81 81 ILE CA C 13 59.800 0.200 . 1 . . . . 81 ILE CA . 15687 1 817 . 1 1 81 81 ILE CB C 13 40.700 0.200 . 1 . . . . 81 ILE CB . 15687 1 818 . 1 1 81 81 ILE CD1 C 13 16.224 0.200 . 1 . . . . 81 ILE CD1 . 15687 1 819 . 1 1 81 81 ILE CG1 C 13 30.367 0.200 . 1 . . . . 81 ILE CG1 . 15687 1 820 . 1 1 81 81 ILE CG2 C 13 19.038 0.200 . 1 . . . . 81 ILE CG2 . 15687 1 821 . 1 1 81 81 ILE N N 15 128.300 0.200 . 1 . . . . 81 ILE N . 15687 1 822 . 1 1 82 82 ASP H H 1 8.940 0.020 . 1 . . . . 82 ASP H . 15687 1 823 . 1 1 82 82 ASP HA H 1 5.230 0.020 . 1 . . . . 82 ASP HA . 15687 1 824 . 1 1 82 82 ASP HB2 H 1 2.420 0.020 . 2 . . . . 82 ASP HB2 . 15687 1 825 . 1 1 82 82 ASP HB3 H 1 2.420 0.020 . 2 . . . . 82 ASP HB3 . 15687 1 826 . 1 1 82 82 ASP CA C 13 54.700 0.200 . 1 . . . . 82 ASP CA . 15687 1 827 . 1 1 82 82 ASP CB C 13 46.600 0.200 . 1 . . . . 82 ASP CB . 15687 1 828 . 1 1 82 82 ASP N N 15 126.200 0.200 . 1 . . . . 82 ASP N . 15687 1 829 . 1 1 83 83 LEU H H 1 8.350 0.020 . 1 . . . . 83 LEU H . 15687 1 830 . 1 1 83 83 LEU HA H 1 4.760 0.020 . 1 . . . . 83 LEU HA . 15687 1 831 . 1 1 83 83 LEU HB2 H 1 1.718 0.020 . 2 . . . . 83 LEU HB2 . 15687 1 832 . 1 1 83 83 LEU HB3 H 1 1.290 0.020 . 2 . . . . 83 LEU HB3 . 15687 1 833 . 1 1 83 83 LEU HD11 H 1 0.820 0.020 . 2 . . . . 83 LEU HD1 . 15687 1 834 . 1 1 83 83 LEU HD12 H 1 0.820 0.020 . 2 . . . . 83 LEU HD1 . 15687 1 835 . 1 1 83 83 LEU HD13 H 1 0.820 0.020 . 2 . . . . 83 LEU HD1 . 15687 1 836 . 1 1 83 83 LEU HD21 H 1 0.793 0.020 . 2 . . . . 83 LEU HD2 . 15687 1 837 . 1 1 83 83 LEU HD22 H 1 0.793 0.020 . 2 . . . . 83 LEU HD2 . 15687 1 838 . 1 1 83 83 LEU HD23 H 1 0.793 0.020 . 2 . . . . 83 LEU HD2 . 15687 1 839 . 1 1 83 83 LEU HG H 1 1.464 0.020 . 1 . . . . 83 LEU HG . 15687 1 840 . 1 1 83 83 LEU CA C 13 54.500 0.200 . 1 . . . . 83 LEU CA . 15687 1 841 . 1 1 83 83 LEU CB C 13 45.200 0.200 . 1 . . . . 83 LEU CB . 15687 1 842 . 1 1 83 83 LEU CD1 C 13 27.536 0.200 . 2 . . . . 83 LEU CD1 . 15687 1 843 . 1 1 83 83 LEU CD2 C 13 27.314 0.200 . 2 . . . . 83 LEU CD2 . 15687 1 844 . 1 1 83 83 LEU CG C 13 27.873 0.200 . 1 . . . . 83 LEU CG . 15687 1 845 . 1 1 83 83 LEU N N 15 121.200 0.200 . 1 . . . . 83 LEU N . 15687 1 846 . 1 1 84 84 PHE H H 1 8.950 0.020 . 1 . . . . 84 PHE H . 15687 1 847 . 1 1 84 84 PHE HA H 1 5.070 0.020 . 1 . . . . 84 PHE HA . 15687 1 848 . 1 1 84 84 PHE HB2 H 1 3.150 0.020 . 2 . . . . 84 PHE HB2 . 15687 1 849 . 1 1 84 84 PHE HB3 H 1 2.800 0.020 . 2 . . . . 84 PHE HB3 . 15687 1 850 . 1 1 84 84 PHE CA C 13 55.600 0.200 . 1 . . . . 84 PHE CA . 15687 1 851 . 1 1 84 84 PHE CB C 13 40.000 0.200 . 1 . . . . 84 PHE CB . 15687 1 852 . 1 1 84 84 PHE N N 15 121.500 0.200 . 1 . . . . 84 PHE N . 15687 1 853 . 1 1 86 86 PRO HA H 1 3.968 0.020 . 1 . . . . 86 PRO HA . 15687 1 854 . 1 1 86 86 PRO HB2 H 1 1.811 0.020 . 2 . . . . 86 PRO HB2 . 15687 1 855 . 1 1 86 86 PRO HB3 H 1 1.449 0.020 . 2 . . . . 86 PRO HB3 . 15687 1 856 . 1 1 86 86 PRO HD2 H 1 3.592 0.020 . 2 . . . . 86 PRO HD2 . 15687 1 857 . 1 1 86 86 PRO HD3 H 1 3.384 0.020 . 2 . . . . 86 PRO HD3 . 15687 1 858 . 1 1 86 86 PRO HG2 H 1 1.635 0.020 . 2 . . . . 86 PRO HG2 . 15687 1 859 . 1 1 86 86 PRO HG3 H 1 1.372 0.020 . 2 . . . . 86 PRO HG3 . 15687 1 860 . 1 1 86 86 PRO CA C 13 63.783 0.200 . 1 . . . . 86 PRO CA . 15687 1 861 . 1 1 86 86 PRO CB C 13 32.325 0.200 . 1 . . . . 86 PRO CB . 15687 1 862 . 1 1 86 86 PRO CD C 13 51.189 0.200 . 1 . . . . 86 PRO CD . 15687 1 863 . 1 1 86 86 PRO CG C 13 28.984 0.200 . 1 . . . . 86 PRO CG . 15687 1 864 . 1 1 87 87 VAL H H 1 7.910 0.020 . 1 . . . . 87 VAL H . 15687 1 865 . 1 1 87 87 VAL HA H 1 3.915 0.020 . 1 . . . . 87 VAL HA . 15687 1 866 . 1 1 87 87 VAL HB H 1 1.894 0.020 . 1 . . . . 87 VAL HB . 15687 1 867 . 1 1 87 87 VAL HG11 H 1 0.801 0.020 . 2 . . . . 87 VAL HG1 . 15687 1 868 . 1 1 87 87 VAL HG12 H 1 0.801 0.020 . 2 . . . . 87 VAL HG1 . 15687 1 869 . 1 1 87 87 VAL HG13 H 1 0.801 0.020 . 2 . . . . 87 VAL HG1 . 15687 1 870 . 1 1 87 87 VAL CA C 13 62.450 0.200 . 1 . . . . 87 VAL CA . 15687 1 871 . 1 1 87 87 VAL CB C 13 33.388 0.200 . 1 . . . . 87 VAL CB . 15687 1 872 . 1 1 87 87 VAL CG1 C 13 21.198 0.200 . 2 . . . . 87 VAL CG1 . 15687 1 873 . 1 1 87 87 VAL N N 15 121.800 0.200 . 1 . . . . 87 VAL N . 15687 1 874 . 1 1 88 88 ALA H H 1 8.280 0.020 . 1 . . . . 88 ALA H . 15687 1 875 . 1 1 88 88 ALA HA H 1 4.150 0.020 . 1 . . . . 88 ALA HA . 15687 1 876 . 1 1 88 88 ALA HB1 H 1 1.220 0.020 . 1 . . . . 88 ALA HB . 15687 1 877 . 1 1 88 88 ALA HB2 H 1 1.220 0.020 . 1 . . . . 88 ALA HB . 15687 1 878 . 1 1 88 88 ALA HB3 H 1 1.220 0.020 . 1 . . . . 88 ALA HB . 15687 1 879 . 1 1 88 88 ALA CA C 13 52.900 0.200 . 1 . . . . 88 ALA CA . 15687 1 880 . 1 1 88 88 ALA CB C 13 19.700 0.200 . 1 . . . . 88 ALA CB . 15687 1 881 . 1 1 88 88 ALA N N 15 128.300 0.200 . 1 . . . . 88 ALA N . 15687 1 882 . 1 1 89 89 GLY H H 1 8.250 0.020 . 1 . . . . 89 GLY H . 15687 1 883 . 1 1 89 89 GLY HA2 H 1 3.790 0.020 . 2 . . . . 89 GLY HA2 . 15687 1 884 . 1 1 89 89 GLY HA3 H 1 3.790 0.020 . 2 . . . . 89 GLY HA3 . 15687 1 885 . 1 1 89 89 GLY CA C 13 45.700 0.200 . 1 . . . . 89 GLY CA . 15687 1 886 . 1 1 89 89 GLY N N 15 108.900 0.200 . 1 . . . . 89 GLY N . 15687 1 stop_ save_