data_25434 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25434 _Entry.Title ; Solution NMR Structure of the OCRE Domain of RBM10 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-01-20 _Entry.Accession_date 2015-01-20 _Entry.Last_release_date 2016-08-30 _Entry.Original_release_date 2016-08-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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.ORCID _Entry_author.Entry_ID 1 B. Martin . T. . . 25434 2 M. Geralt . . . . 25434 3 P. Serrano . . . . 25434 4 K. Wuthrich . . . . 25434 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 PSI 'Joint Center for Structural Genomics' . 25434 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Unknown Function' . 25434 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25434 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 294 25434 '15N chemical shifts' 93 25434 '1H chemical shifts' 549 25434 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-08-30 2015-01-16 update BMRB 'update entry citation' 25434 1 . . 2015-03-30 2015-01-16 original author 'original release' 25434 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MXW 'BMRB Entry Tracking System' 25434 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 25434 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26712279 _Citation.Full_citation . _Citation.Title ; Nuclear Magnetic Resonance Structure of a Novel Globular Domain in RBM10 Containing OCRE, the Octamer Repeat Sequence Motif ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 24 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 158 _Citation.Page_last 164 _Citation.Year 2016 _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 Bryan Martin . T. . . 25434 1 2 Pedro Serrano . . . . 25434 1 3 Michael Geralt . . . . 25434 1 4 Kurt Wuthrich . . . . 25434 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25434 _Assembly.ID 1 _Assembly.Name OCRE _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 OCRE 1 $OCRE A . yes native no no . . . 25434 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_OCRE _Entity.Sf_category entity _Entity.Sf_framecode OCRE _Entity.Entry_ID 25434 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name OCRE _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 ; GHMQESYSQYPVPDVSTYQY DETSGYYYDPQTGLYYDPNS QYYYNAQSQQYLYWDGERRT YVPALEQSADGHKETGAPSK EGKEKKEKHKTK ; _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 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Octamer Repeat Domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10856.678 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . GLY . 25434 1 2 . HIS . 25434 1 3 . MET . 25434 1 4 . GLN . 25434 1 5 . GLU . 25434 1 6 . SER . 25434 1 7 . TYR . 25434 1 8 . SER . 25434 1 9 . GLN . 25434 1 10 . TYR . 25434 1 11 . PRO . 25434 1 12 . VAL . 25434 1 13 . PRO . 25434 1 14 . ASP . 25434 1 15 . VAL . 25434 1 16 . SER . 25434 1 17 . THR . 25434 1 18 . TYR . 25434 1 19 . GLN . 25434 1 20 . TYR . 25434 1 21 . ASP . 25434 1 22 . GLU . 25434 1 23 . THR . 25434 1 24 . SER . 25434 1 25 . GLY . 25434 1 26 . TYR . 25434 1 27 . TYR . 25434 1 28 . TYR . 25434 1 29 . ASP . 25434 1 30 . PRO . 25434 1 31 . GLN . 25434 1 32 . THR . 25434 1 33 . GLY . 25434 1 34 . LEU . 25434 1 35 . TYR . 25434 1 36 . TYR . 25434 1 37 . ASP . 25434 1 38 . PRO . 25434 1 39 . ASN . 25434 1 40 . SER . 25434 1 41 . GLN . 25434 1 42 . TYR . 25434 1 43 . TYR . 25434 1 44 . TYR . 25434 1 45 . ASN . 25434 1 46 . ALA . 25434 1 47 . GLN . 25434 1 48 . SER . 25434 1 49 . GLN . 25434 1 50 . GLN . 25434 1 51 . TYR . 25434 1 52 . LEU . 25434 1 53 . TYR . 25434 1 54 . TRP . 25434 1 55 . ASP . 25434 1 56 . GLY . 25434 1 57 . GLU . 25434 1 58 . ARG . 25434 1 59 . ARG . 25434 1 60 . THR . 25434 1 61 . TYR . 25434 1 62 . VAL . 25434 1 63 . PRO . 25434 1 64 . ALA . 25434 1 65 . LEU . 25434 1 66 . GLU . 25434 1 67 . GLN . 25434 1 68 . SER . 25434 1 69 . ALA . 25434 1 70 . ASP . 25434 1 71 . GLY . 25434 1 72 . HIS . 25434 1 73 . LYS . 25434 1 74 . GLU . 25434 1 75 . THR . 25434 1 76 . GLY . 25434 1 77 . ALA . 25434 1 78 . PRO . 25434 1 79 . SER . 25434 1 80 . LYS . 25434 1 81 . GLU . 25434 1 82 . GLY . 25434 1 83 . LYS . 25434 1 84 . GLU . 25434 1 85 . LYS . 25434 1 86 . LYS . 25434 1 87 . GLU . 25434 1 88 . LYS . 25434 1 89 . HIS . 25434 1 90 . LYS . 25434 1 91 . THR . 25434 1 92 . LYS . 25434 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25434 1 . HIS 2 2 25434 1 . MET 3 3 25434 1 . GLN 4 4 25434 1 . GLU 5 5 25434 1 . SER 6 6 25434 1 . TYR 7 7 25434 1 . SER 8 8 25434 1 . GLN 9 9 25434 1 . TYR 10 10 25434 1 . PRO 11 11 25434 1 . VAL 12 12 25434 1 . PRO 13 13 25434 1 . ASP 14 14 25434 1 . VAL 15 15 25434 1 . SER 16 16 25434 1 . THR 17 17 25434 1 . TYR 18 18 25434 1 . GLN 19 19 25434 1 . TYR 20 20 25434 1 . ASP 21 21 25434 1 . GLU 22 22 25434 1 . THR 23 23 25434 1 . SER 24 24 25434 1 . GLY 25 25 25434 1 . TYR 26 26 25434 1 . TYR 27 27 25434 1 . TYR 28 28 25434 1 . ASP 29 29 25434 1 . PRO 30 30 25434 1 . GLN 31 31 25434 1 . THR 32 32 25434 1 . GLY 33 33 25434 1 . LEU 34 34 25434 1 . TYR 35 35 25434 1 . TYR 36 36 25434 1 . ASP 37 37 25434 1 . PRO 38 38 25434 1 . ASN 39 39 25434 1 . SER 40 40 25434 1 . GLN 41 41 25434 1 . TYR 42 42 25434 1 . TYR 43 43 25434 1 . TYR 44 44 25434 1 . ASN 45 45 25434 1 . ALA 46 46 25434 1 . GLN 47 47 25434 1 . SER 48 48 25434 1 . GLN 49 49 25434 1 . GLN 50 50 25434 1 . TYR 51 51 25434 1 . LEU 52 52 25434 1 . TYR 53 53 25434 1 . TRP 54 54 25434 1 . ASP 55 55 25434 1 . GLY 56 56 25434 1 . GLU 57 57 25434 1 . ARG 58 58 25434 1 . ARG 59 59 25434 1 . THR 60 60 25434 1 . TYR 61 61 25434 1 . VAL 62 62 25434 1 . PRO 63 63 25434 1 . ALA 64 64 25434 1 . LEU 65 65 25434 1 . GLU 66 66 25434 1 . GLN 67 67 25434 1 . SER 68 68 25434 1 . ALA 69 69 25434 1 . ASP 70 70 25434 1 . GLY 71 71 25434 1 . HIS 72 72 25434 1 . LYS 73 73 25434 1 . GLU 74 74 25434 1 . THR 75 75 25434 1 . GLY 76 76 25434 1 . ALA 77 77 25434 1 . PRO 78 78 25434 1 . SER 79 79 25434 1 . LYS 80 80 25434 1 . GLU 81 81 25434 1 . GLY 82 82 25434 1 . LYS 83 83 25434 1 . GLU 84 84 25434 1 . LYS 85 85 25434 1 . LYS 86 86 25434 1 . GLU 87 87 25434 1 . LYS 88 88 25434 1 . HIS 89 89 25434 1 . LYS 90 90 25434 1 . THR 91 91 25434 1 . LYS 92 92 25434 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 25434 _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 $OCRE . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . RBM10 . 25434 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 25434 _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 $OCRE . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET28 . . . 25434 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25434 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '[U-98% 13C; U-98% 15N], 1.2 mM;20 mM phosphate buffer; 50 mM NaCl; 5 mM Sodium Azide; pH 6.0; 90% H2O; 10% D2O' _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 entity '[U-98% 13C; U-98% 15N]' . . 1 $OCRE . . 1.2 . . mM . . . . 25434 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25434 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25434 1 4 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 25434 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 25434 _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' 0.240 . M 25434 1 pH 6.0 . pH 25434 1 pressure 1 . atm 25434 1 temperature 308 . K 25434 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25434 _Software.ID 1 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25434 1 'Guntert, Mumenthaler and Wuthrich' . . 25434 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25434 1 'data analysis' 25434 1 processing 25434 1 'structure solution' 25434 1 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 25434 _Software.ID 2 _Software.Name UNIO _Software.Version v2010 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(UNIO) Hermann and Wuthrich' . . 25434 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25434 2 'peak picking' 25434 2 'structure solution' 25434 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25434 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(CARA) Keller and Wuthrich' . . 25434 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25434 3 'peak picking' 25434 3 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 25434 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25434 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25434 _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 Avance . 600 . . . 25434 1 2 spectrometer_2 Bruker Avance . 800 . . . 25434 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 25434 _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 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25434 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25434 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25434 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25434 1 5 'APSY 4D-HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25434 1 6 'APSY 5D-CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25434 1 7 'APSY 5D-HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25434 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 25434 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25434 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25434 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25434 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 25434 _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' . . . 25434 1 2 '3D 1H-13C NOESY aromatic' . . . 25434 1 3 '3D 1H-13C NOESY aliphatic' . . . 25434 1 4 '3D 1H-15N NOESY' . . . 25434 1 5 'APSY 4D-HACANH' . . . 25434 1 6 'APSY 5D-CBCACONH' . . . 25434 1 7 'APSY 5D-HACACONH' . . . 25434 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 5 5 GLU H H 1 8.538 0.000 . . . . . A 5 GLU H . 25434 1 2 . 1 1 5 5 GLU HA H 1 4.534 0.000 . . . . . A 5 GLU HA . 25434 1 3 . 1 1 5 5 GLU HB2 H 1 1.970 0.000 . . . . . A 5 GLU QB . 25434 1 4 . 1 1 5 5 GLU HB3 H 1 1.970 0.000 . . . . . A 5 GLU QB . 25434 1 5 . 1 1 5 5 GLU HG2 H 1 2.344 0.000 . . . . . A 5 GLU QG . 25434 1 6 . 1 1 5 5 GLU HG3 H 1 2.344 0.000 . . . . . A 5 GLU QG . 25434 1 7 . 1 1 5 5 GLU CA C 13 63.240 0.000 . . . . . A 5 GLU CA . 25434 1 8 . 1 1 5 5 GLU CB C 13 32.225 0.000 . . . . . A 5 GLU CB . 25434 1 9 . 1 1 5 5 GLU CG C 13 32.225 0.000 . . . . . A 5 GLU CG . 25434 1 10 . 1 1 5 5 GLU N N 15 123.289 0.000 . . . . . A 5 GLU N . 25434 1 11 . 1 1 6 6 SER H H 1 8.435 0.000 . . . . . A 6 SER H . 25434 1 12 . 1 1 6 6 SER HA H 1 4.552 0.000 . . . . . A 6 SER HA . 25434 1 13 . 1 1 6 6 SER HB2 H 1 3.969 0.000 . . . . . A 6 SER HB2 . 25434 1 14 . 1 1 6 6 SER HB3 H 1 4.045 0.000 . . . . . A 6 SER HB3 . 25434 1 15 . 1 1 6 6 SER CA C 13 58.231 0.000 . . . . . A 6 SER CA . 25434 1 16 . 1 1 6 6 SER CB C 13 64.028 0.000 . . . . . A 6 SER CB . 25434 1 17 . 1 1 6 6 SER N N 15 115.506 0.000 . . . . . A 6 SER N . 25434 1 18 . 1 1 7 7 TYR H H 1 8.137 0.000 . . . . . A 7 TYR H . 25434 1 19 . 1 1 7 7 TYR HA H 1 4.742 0.000 . . . . . A 7 TYR HA . 25434 1 20 . 1 1 7 7 TYR HB2 H 1 3.211 0.000 . . . . . A 7 TYR HB2 . 25434 1 21 . 1 1 7 7 TYR HB3 H 1 3.043 0.000 . . . . . A 7 TYR HB3 . 25434 1 22 . 1 1 7 7 TYR HD1 H 1 7.155 0.000 . . . . . A 7 TYR QD . 25434 1 23 . 1 1 7 7 TYR HD2 H 1 7.155 0.000 . . . . . A 7 TYR QD . 25434 1 24 . 1 1 7 7 TYR HE1 H 1 6.884 0.000 . . . . . A 7 TYR QE . 25434 1 25 . 1 1 7 7 TYR HE2 H 1 6.884 0.000 . . . . . A 7 TYR QE . 25434 1 26 . 1 1 7 7 TYR CA C 13 57.611 0.000 . . . . . A 7 TYR CA . 25434 1 27 . 1 1 7 7 TYR CB C 13 39.176 0.000 . . . . . A 7 TYR CB . 25434 1 28 . 1 1 7 7 TYR CD1 C 13 133.664 0.000 . . . . . A 7 TYR CD1 . 25434 1 29 . 1 1 7 7 TYR CD2 C 13 133.664 0.000 . . . . . A 7 TYR CD2 . 25434 1 30 . 1 1 7 7 TYR CE1 C 13 118.601 0.000 . . . . . A 7 TYR CE1 . 25434 1 31 . 1 1 7 7 TYR CE2 C 13 118.601 0.000 . . . . . A 7 TYR CE2 . 25434 1 32 . 1 1 7 7 TYR N N 15 121.104 0.000 . . . . . A 7 TYR N . 25434 1 33 . 1 1 8 8 SER H H 1 8.364 0.000 . . . . . A 8 SER H . 25434 1 34 . 1 1 8 8 SER HA H 1 4.539 0.000 . . . . . A 8 SER HA . 25434 1 35 . 1 1 8 8 SER HB2 H 1 3.898 0.000 . . . . . A 8 SER QB . 25434 1 36 . 1 1 8 8 SER HB3 H 1 3.898 0.000 . . . . . A 8 SER QB . 25434 1 37 . 1 1 8 8 SER CA C 13 58.327 0.000 . . . . . A 8 SER CA . 25434 1 38 . 1 1 8 8 SER CB C 13 63.958 0.000 . . . . . A 8 SER CB . 25434 1 39 . 1 1 8 8 SER N N 15 116.875 0.000 . . . . . A 8 SER N . 25434 1 40 . 1 1 9 9 GLN H H 1 8.414 0.000 . . . . . A 9 GLN H . 25434 1 41 . 1 1 9 9 GLN HA H 1 4.443 0.000 . . . . . A 9 GLN HA . 25434 1 42 . 1 1 9 9 GLN HB2 H 1 2.200 0.000 . . . . . A 9 GLN HB2 . 25434 1 43 . 1 1 9 9 GLN HB3 H 1 2.085 0.000 . . . . . A 9 GLN HB3 . 25434 1 44 . 1 1 9 9 GLN HG2 H 1 2.398 0.000 . . . . . A 9 GLN QG . 25434 1 45 . 1 1 9 9 GLN HG3 H 1 2.398 0.000 . . . . . A 9 GLN QG . 25434 1 46 . 1 1 9 9 GLN HE21 H 1 7.018 0.000 . . . . . A 9 GLN HE21 . 25434 1 47 . 1 1 9 9 GLN HE22 H 1 7.565 0.000 . . . . . A 9 GLN HE22 . 25434 1 48 . 1 1 9 9 GLN CA C 13 56.678 0.000 . . . . . A 9 GLN CA . 25434 1 49 . 1 1 9 9 GLN CB C 13 30.372 0.000 . . . . . A 9 GLN CB . 25434 1 50 . 1 1 9 9 GLN CG C 13 33.789 0.000 . . . . . A 9 GLN CG . 25434 1 51 . 1 1 9 9 GLN N N 15 120.999 0.000 . . . . . A 9 GLN N . 25434 1 52 . 1 1 9 9 GLN NE2 N 15 112.018 0.000 . . . . . A 9 GLN NE2 . 25434 1 53 . 1 1 10 10 TYR H H 1 8.549 0.000 . . . . . A 10 TYR H . 25434 1 54 . 1 1 10 10 TYR HA H 1 4.974 0.000 . . . . . A 10 TYR HA . 25434 1 55 . 1 1 10 10 TYR HB2 H 1 2.979 0.000 . . . . . A 10 TYR HB2 . 25434 1 56 . 1 1 10 10 TYR HB3 H 1 3.471 0.000 . . . . . A 10 TYR HB3 . 25434 1 57 . 1 1 10 10 TYR HD1 H 1 7.464 0.000 . . . . . A 10 TYR QD . 25434 1 58 . 1 1 10 10 TYR HD2 H 1 7.464 0.000 . . . . . A 10 TYR QD . 25434 1 59 . 1 1 10 10 TYR HE1 H 1 7.013 0.000 . . . . . A 10 TYR QE . 25434 1 60 . 1 1 10 10 TYR HE2 H 1 7.013 0.000 . . . . . A 10 TYR QE . 25434 1 61 . 1 1 10 10 TYR CA C 13 56.383 0.000 . . . . . A 10 TYR CA . 25434 1 62 . 1 1 10 10 TYR CB C 13 40.009 0.000 . . . . . A 10 TYR CB . 25434 1 63 . 1 1 10 10 TYR CD1 C 13 134.000 0.000 . . . . . A 10 TYR CD1 . 25434 1 64 . 1 1 10 10 TYR CD2 C 13 134.000 0.000 . . . . . A 10 TYR CD2 . 25434 1 65 . 1 1 10 10 TYR CE1 C 13 118.913 0.000 . . . . . A 10 TYR CE1 . 25434 1 66 . 1 1 10 10 TYR CE2 C 13 118.913 0.000 . . . . . A 10 TYR CE2 . 25434 1 67 . 1 1 10 10 TYR N N 15 121.815 0.000 . . . . . A 10 TYR N . 25434 1 68 . 1 1 11 11 PRO HA H 1 4.616 0.000 . . . . . A 11 PRO HA . 25434 1 69 . 1 1 11 11 PRO HB2 H 1 2.345 0.000 . . . . . A 11 PRO QB . 25434 1 70 . 1 1 11 11 PRO HB3 H 1 2.345 0.000 . . . . . A 11 PRO QB . 25434 1 71 . 1 1 11 11 PRO HG2 H 1 2.053 0.000 . . . . . A 11 PRO QG . 25434 1 72 . 1 1 11 11 PRO HG3 H 1 2.053 0.000 . . . . . A 11 PRO QG . 25434 1 73 . 1 1 11 11 PRO HD2 H 1 3.806 0.000 . . . . . A 11 PRO HD2 . 25434 1 74 . 1 1 11 11 PRO HD3 H 1 3.901 0.000 . . . . . A 11 PRO HD3 . 25434 1 75 . 1 1 11 11 PRO CA C 13 61.999 0.000 . . . . . A 11 PRO CA . 25434 1 76 . 1 1 11 11 PRO CB C 13 32.203 0.000 . . . . . A 11 PRO CB . 25434 1 77 . 1 1 11 11 PRO CG C 13 27.492 0.000 . . . . . A 11 PRO CG . 25434 1 78 . 1 1 11 11 PRO CD C 13 50.487 0.000 . . . . . A 11 PRO CD . 25434 1 79 . 1 1 12 12 VAL H H 1 8.074 0.000 . . . . . A 12 VAL H . 25434 1 80 . 1 1 12 12 VAL HA H 1 3.800 0.000 . . . . . A 12 VAL HA . 25434 1 81 . 1 1 12 12 VAL HB H 1 1.965 0.000 . . . . . A 12 VAL HB . 25434 1 82 . 1 1 12 12 VAL HG11 H 1 1.012 0.000 . . . . . A 12 VAL QG1 . 25434 1 83 . 1 1 12 12 VAL HG12 H 1 1.012 0.000 . . . . . A 12 VAL QG1 . 25434 1 84 . 1 1 12 12 VAL HG13 H 1 1.012 0.000 . . . . . A 12 VAL QG1 . 25434 1 85 . 1 1 12 12 VAL HG21 H 1 1.199 0.000 . . . . . A 12 VAL QG2 . 25434 1 86 . 1 1 12 12 VAL HG22 H 1 1.199 0.000 . . . . . A 12 VAL QG2 . 25434 1 87 . 1 1 12 12 VAL HG23 H 1 1.199 0.000 . . . . . A 12 VAL QG2 . 25434 1 88 . 1 1 12 12 VAL CA C 13 60.457 0.000 . . . . . A 12 VAL CA . 25434 1 89 . 1 1 12 12 VAL CB C 13 32.251 0.000 . . . . . A 12 VAL CB . 25434 1 90 . 1 1 12 12 VAL CG1 C 13 20.911 0.000 . . . . . A 12 VAL CG1 . 25434 1 91 . 1 1 12 12 VAL CG2 C 13 21.468 0.000 . . . . . A 12 VAL CG2 . 25434 1 92 . 1 1 12 12 VAL N N 15 120.450 0.000 . . . . . A 12 VAL N . 25434 1 93 . 1 1 13 13 PRO HA H 1 4.018 0.000 . . . . . A 13 PRO HA . 25434 1 94 . 1 1 13 13 PRO HB2 H 1 2.035 0.000 . . . . . A 13 PRO HB2 . 25434 1 95 . 1 1 13 13 PRO HB3 H 1 1.501 0.000 . . . . . A 13 PRO HB3 . 25434 1 96 . 1 1 13 13 PRO HG2 H 1 1.089 0.000 . . . . . A 13 PRO QG . 25434 1 97 . 1 1 13 13 PRO HG3 H 1 1.089 0.000 . . . . . A 13 PRO QG . 25434 1 98 . 1 1 13 13 PRO HD2 H 1 2.227 0.000 . . . . . A 13 PRO HD2 . 25434 1 99 . 1 1 13 13 PRO HD3 H 1 1.982 0.000 . . . . . A 13 PRO HD3 . 25434 1 100 . 1 1 13 13 PRO CA C 13 63.180 0.000 . . . . . A 13 PRO CA . 25434 1 101 . 1 1 13 13 PRO CB C 13 32.632 0.000 . . . . . A 13 PRO CB . 25434 1 102 . 1 1 13 13 PRO CG C 13 26.436 0.000 . . . . . A 13 PRO CG . 25434 1 103 . 1 1 13 13 PRO CD C 13 49.738 0.000 . . . . . A 13 PRO CD . 25434 1 104 . 1 1 14 14 ASP H H 1 8.148 0.000 . . . . . A 14 ASP H . 25434 1 105 . 1 1 14 14 ASP HA H 1 4.711 0.000 . . . . . A 14 ASP HA . 25434 1 106 . 1 1 14 14 ASP HB2 H 1 2.511 0.000 . . . . . A 14 ASP HB2 . 25434 1 107 . 1 1 14 14 ASP HB3 H 1 2.806 0.000 . . . . . A 14 ASP HB3 . 25434 1 108 . 1 1 14 14 ASP CA C 13 52.074 0.000 . . . . . A 14 ASP CA . 25434 1 109 . 1 1 14 14 ASP CB C 13 41.050 0.000 . . . . . A 14 ASP CB . 25434 1 110 . 1 1 14 14 ASP N N 15 120.579 0.000 . . . . . A 14 ASP N . 25434 1 111 . 1 1 15 15 VAL H H 1 8.161 0.000 . . . . . A 15 VAL H . 25434 1 112 . 1 1 15 15 VAL HA H 1 2.170 0.000 . . . . . A 15 VAL HA . 25434 1 113 . 1 1 15 15 VAL HB H 1 1.649 0.000 . . . . . A 15 VAL HB . 25434 1 114 . 1 1 15 15 VAL HG11 H 1 0.649 0.000 . . . . . A 15 VAL QG1 . 25434 1 115 . 1 1 15 15 VAL HG12 H 1 0.649 0.000 . . . . . A 15 VAL QG1 . 25434 1 116 . 1 1 15 15 VAL HG13 H 1 0.649 0.000 . . . . . A 15 VAL QG1 . 25434 1 117 . 1 1 15 15 VAL HG21 H 1 0.522 0.000 . . . . . A 15 VAL QG2 . 25434 1 118 . 1 1 15 15 VAL HG22 H 1 0.522 0.000 . . . . . A 15 VAL QG2 . 25434 1 119 . 1 1 15 15 VAL HG23 H 1 0.522 0.000 . . . . . A 15 VAL QG2 . 25434 1 120 . 1 1 15 15 VAL CA C 13 62.769 0.000 . . . . . A 15 VAL CA . 25434 1 121 . 1 1 15 15 VAL CB C 13 30.897 0.000 . . . . . A 15 VAL CB . 25434 1 122 . 1 1 15 15 VAL CG1 C 13 19.453 0.000 . . . . . A 15 VAL CG1 . 25434 1 123 . 1 1 15 15 VAL CG2 C 13 20.403 0.000 . . . . . A 15 VAL CG2 . 25434 1 124 . 1 1 15 15 VAL N N 15 120.884 0.000 . . . . . A 15 VAL N . 25434 1 125 . 1 1 16 16 SER H H 1 8.139 0.000 . . . . . A 16 SER H . 25434 1 126 . 1 1 16 16 SER HA H 1 4.294 0.000 . . . . . A 16 SER HA . 25434 1 127 . 1 1 16 16 SER HB2 H 1 3.971 0.000 . . . . . A 16 SER HB2 . 25434 1 128 . 1 1 16 16 SER HB3 H 1 4.036 0.000 . . . . . A 16 SER HB3 . 25434 1 129 . 1 1 16 16 SER CA C 13 61.011 0.000 . . . . . A 16 SER CA . 25434 1 130 . 1 1 16 16 SER CB C 13 63.004 0.000 . . . . . A 16 SER CB . 25434 1 131 . 1 1 16 16 SER N N 15 116.885 0.000 . . . . . A 16 SER N . 25434 1 132 . 1 1 17 17 THR H H 1 7.549 0.000 . . . . . A 17 THR H . 25434 1 133 . 1 1 17 17 THR HA H 1 4.558 0.000 . . . . . A 17 THR HA . 25434 1 134 . 1 1 17 17 THR HB H 1 4.628 0.000 . . . . . A 17 THR HB . 25434 1 135 . 1 1 17 17 THR HG21 H 1 1.267 0.000 . . . . . A 17 THR QG2 . 25434 1 136 . 1 1 17 17 THR HG22 H 1 1.267 0.000 . . . . . A 17 THR QG2 . 25434 1 137 . 1 1 17 17 THR HG23 H 1 1.267 0.000 . . . . . A 17 THR QG2 . 25434 1 138 . 1 1 17 17 THR CA C 13 61.987 0.000 . . . . . A 17 THR CA . 25434 1 139 . 1 1 17 17 THR CB C 13 70.459 0.000 . . . . . A 17 THR CB . 25434 1 140 . 1 1 17 17 THR CG2 C 13 21.843 0.000 . . . . . A 17 THR CG2 . 25434 1 141 . 1 1 17 17 THR N N 15 110.397 0.000 . . . . . A 17 THR N . 25434 1 142 . 1 1 18 18 TYR H H 1 7.365 0.000 . . . . . A 18 TYR H . 25434 1 143 . 1 1 18 18 TYR HA H 1 5.168 0.000 . . . . . A 18 TYR HA . 25434 1 144 . 1 1 18 18 TYR HB2 H 1 3.462 0.000 . . . . . A 18 TYR HB2 . 25434 1 145 . 1 1 18 18 TYR HB3 H 1 3.363 0.000 . . . . . A 18 TYR HB3 . 25434 1 146 . 1 1 18 18 TYR HD1 H 1 6.943 0.000 . . . . . A 18 TYR QD . 25434 1 147 . 1 1 18 18 TYR HD2 H 1 6.943 0.000 . . . . . A 18 TYR QD . 25434 1 148 . 1 1 18 18 TYR HE1 H 1 6.332 0.000 . . . . . A 18 TYR QE . 25434 1 149 . 1 1 18 18 TYR HE2 H 1 6.332 0.000 . . . . . A 18 TYR QE . 25434 1 150 . 1 1 18 18 TYR CA C 13 54.823 0.000 . . . . . A 18 TYR CA . 25434 1 151 . 1 1 18 18 TYR CB C 13 37.740 0.000 . . . . . A 18 TYR CB . 25434 1 152 . 1 1 18 18 TYR CD1 C 13 131.066 0.000 . . . . . A 18 TYR CD1 . 25434 1 153 . 1 1 18 18 TYR CD2 C 13 131.066 0.000 . . . . . A 18 TYR CD2 . 25434 1 154 . 1 1 18 18 TYR CE1 C 13 119.778 0.000 . . . . . A 18 TYR CE1 . 25434 1 155 . 1 1 18 18 TYR CE2 C 13 119.778 0.000 . . . . . A 18 TYR CE2 . 25434 1 156 . 1 1 18 18 TYR N N 15 120.956 0.000 . . . . . A 18 TYR N . 25434 1 157 . 1 1 19 19 GLN H H 1 9.372 0.000 . . . . . A 19 GLN H . 25434 1 158 . 1 1 19 19 GLN HA H 1 5.052 0.000 . . . . . A 19 GLN HA . 25434 1 159 . 1 1 19 19 GLN HB2 H 1 2.352 0.000 . . . . . A 19 GLN HB2 . 25434 1 160 . 1 1 19 19 GLN HB3 H 1 2.424 0.000 . . . . . A 19 GLN HB3 . 25434 1 161 . 1 1 19 19 GLN HG2 H 1 2.714 0.000 . . . . . A 19 GLN QG . 25434 1 162 . 1 1 19 19 GLN HG3 H 1 2.714 0.000 . . . . . A 19 GLN QG . 25434 1 163 . 1 1 19 19 GLN HE21 H 1 7.707 0.000 . . . . . A 19 GLN HE21 . 25434 1 164 . 1 1 19 19 GLN HE22 H 1 7.003 0.000 . . . . . A 19 GLN HE22 . 25434 1 165 . 1 1 19 19 GLN CA C 13 54.386 0.000 . . . . . A 19 GLN CA . 25434 1 166 . 1 1 19 19 GLN CB C 13 31.447 0.000 . . . . . A 19 GLN CB . 25434 1 167 . 1 1 19 19 GLN CG C 13 33.918 0.000 . . . . . A 19 GLN CG . 25434 1 168 . 1 1 19 19 GLN N N 15 119.670 0.000 . . . . . A 19 GLN N . 25434 1 169 . 1 1 19 19 GLN NE2 N 15 111.304 0.000 . . . . . A 19 GLN NE2 . 25434 1 170 . 1 1 20 20 TYR H H 1 9.433 0.000 . . . . . A 20 TYR H . 25434 1 171 . 1 1 20 20 TYR HA H 1 4.102 0.000 . . . . . A 20 TYR HA . 25434 1 172 . 1 1 20 20 TYR HB2 H 1 2.923 0.000 . . . . . A 20 TYR HB2 . 25434 1 173 . 1 1 20 20 TYR HB3 H 1 2.887 0.000 . . . . . A 20 TYR HB3 . 25434 1 174 . 1 1 20 20 TYR HD1 H 1 6.357 0.000 . . . . . A 20 TYR QD . 25434 1 175 . 1 1 20 20 TYR HD2 H 1 6.357 0.000 . . . . . A 20 TYR QD . 25434 1 176 . 1 1 20 20 TYR HE1 H 1 6.644 0.000 . . . . . A 20 TYR QE . 25434 1 177 . 1 1 20 20 TYR HE2 H 1 6.644 0.000 . . . . . A 20 TYR QE . 25434 1 178 . 1 1 20 20 TYR CA C 13 59.374 0.000 . . . . . A 20 TYR CA . 25434 1 179 . 1 1 20 20 TYR CB C 13 39.026 0.000 . . . . . A 20 TYR CB . 25434 1 180 . 1 1 20 20 TYR CD1 C 13 132.940 0.000 . . . . . A 20 TYR CD1 . 25434 1 181 . 1 1 20 20 TYR CD2 C 13 132.940 0.000 . . . . . A 20 TYR CD2 . 25434 1 182 . 1 1 20 20 TYR CE1 C 13 118.355 0.000 . . . . . A 20 TYR CE1 . 25434 1 183 . 1 1 20 20 TYR CE2 C 13 118.355 0.000 . . . . . A 20 TYR CE2 . 25434 1 184 . 1 1 20 20 TYR N N 15 126.395 0.000 . . . . . A 20 TYR N . 25434 1 185 . 1 1 21 21 ASP H H 1 8.128 0.000 . . . . . A 21 ASP H . 25434 1 186 . 1 1 21 21 ASP HA H 1 4.880 0.000 . . . . . A 21 ASP HA . 25434 1 187 . 1 1 21 21 ASP HB2 H 1 2.528 0.000 . . . . . A 21 ASP HB2 . 25434 1 188 . 1 1 21 21 ASP HB3 H 1 3.107 0.000 . . . . . A 21 ASP HB3 . 25434 1 189 . 1 1 21 21 ASP CA C 13 52.333 0.000 . . . . . A 21 ASP CA . 25434 1 190 . 1 1 21 21 ASP CB C 13 42.332 0.000 . . . . . A 21 ASP CB . 25434 1 191 . 1 1 21 21 ASP N N 15 128.962 0.000 . . . . . A 21 ASP N . 25434 1 192 . 1 1 22 22 GLU H H 1 8.768 0.000 . . . . . A 22 GLU H . 25434 1 193 . 1 1 22 22 GLU HA H 1 3.798 0.000 . . . . . A 22 GLU HA . 25434 1 194 . 1 1 22 22 GLU HB2 H 1 2.167 0.000 . . . . . A 22 GLU QB . 25434 1 195 . 1 1 22 22 GLU HB3 H 1 2.167 0.000 . . . . . A 22 GLU QB . 25434 1 196 . 1 1 22 22 GLU HG2 H 1 2.467 0.000 . . . . . A 22 GLU QG . 25434 1 197 . 1 1 22 22 GLU HG3 H 1 2.467 0.000 . . . . . A 22 GLU QG . 25434 1 198 . 1 1 22 22 GLU CA C 13 58.633 0.000 . . . . . A 22 GLU CA . 25434 1 199 . 1 1 22 22 GLU CB C 13 29.712 0.000 . . . . . A 22 GLU CB . 25434 1 200 . 1 1 22 22 GLU CG C 13 36.123 0.000 . . . . . A 22 GLU CG . 25434 1 201 . 1 1 22 22 GLU N N 15 124.636 0.000 . . . . . A 22 GLU N . 25434 1 202 . 1 1 23 23 THR H H 1 8.031 0.000 . . . . . A 23 THR H . 25434 1 203 . 1 1 23 23 THR HA H 1 4.045 0.000 . . . . . A 23 THR HA . 25434 1 204 . 1 1 23 23 THR HB H 1 4.350 0.000 . . . . . A 23 THR HB . 25434 1 205 . 1 1 23 23 THR HG21 H 1 1.281 0.000 . . . . . A 23 THR QG2 . 25434 1 206 . 1 1 23 23 THR HG22 H 1 1.281 0.000 . . . . . A 23 THR QG2 . 25434 1 207 . 1 1 23 23 THR HG23 H 1 1.281 0.000 . . . . . A 23 THR QG2 . 25434 1 208 . 1 1 23 23 THR CA C 13 65.526 0.000 . . . . . A 23 THR CA . 25434 1 209 . 1 1 23 23 THR CB C 13 68.434 0.000 . . . . . A 23 THR CB . 25434 1 210 . 1 1 23 23 THR CG2 C 13 21.981 0.000 . . . . . A 23 THR CG2 . 25434 1 211 . 1 1 23 23 THR N N 15 112.402 0.000 . . . . . A 23 THR N . 25434 1 212 . 1 1 24 24 SER H H 1 7.503 0.000 . . . . . A 24 SER H . 25434 1 213 . 1 1 24 24 SER HA H 1 4.327 0.000 . . . . . A 24 SER HA . 25434 1 214 . 1 1 24 24 SER HB2 H 1 3.577 0.000 . . . . . A 24 SER HB2 . 25434 1 215 . 1 1 24 24 SER HB3 H 1 3.692 0.000 . . . . . A 24 SER HB3 . 25434 1 216 . 1 1 24 24 SER CA C 13 59.046 0.000 . . . . . A 24 SER CA . 25434 1 217 . 1 1 24 24 SER CB C 13 65.024 0.000 . . . . . A 24 SER CB . 25434 1 218 . 1 1 24 24 SER N N 15 113.712 0.000 . . . . . A 24 SER N . 25434 1 219 . 1 1 25 25 GLY H H 1 8.304 0.000 . . . . . A 25 GLY H . 25434 1 220 . 1 1 25 25 GLY HA2 H 1 3.780 0.000 . . . . . A 25 GLY HA2 . 25434 1 221 . 1 1 25 25 GLY HA3 H 1 4.129 0.000 . . . . . A 25 GLY HA3 . 25434 1 222 . 1 1 25 25 GLY CA C 13 45.627 0.000 . . . . . A 25 GLY CA . 25434 1 223 . 1 1 25 25 GLY N N 15 111.227 0.000 . . . . . A 25 GLY N . 25434 1 224 . 1 1 26 26 TYR H H 1 7.951 0.000 . . . . . A 26 TYR H . 25434 1 225 . 1 1 26 26 TYR HA H 1 5.387 0.000 . . . . . A 26 TYR HA . 25434 1 226 . 1 1 26 26 TYR HB2 H 1 3.215 0.000 . . . . . A 26 TYR HB2 . 25434 1 227 . 1 1 26 26 TYR HB3 H 1 3.716 0.000 . . . . . A 26 TYR HB3 . 25434 1 228 . 1 1 26 26 TYR HD1 H 1 7.065 0.000 . . . . . A 26 TYR QD . 25434 1 229 . 1 1 26 26 TYR HD2 H 1 7.065 0.000 . . . . . A 26 TYR QD . 25434 1 230 . 1 1 26 26 TYR HE1 H 1 6.714 0.000 . . . . . A 26 TYR QE . 25434 1 231 . 1 1 26 26 TYR HE2 H 1 6.714 0.000 . . . . . A 26 TYR QE . 25434 1 232 . 1 1 26 26 TYR CA C 13 55.006 0.000 . . . . . A 26 TYR CA . 25434 1 233 . 1 1 26 26 TYR CB C 13 40.743 0.000 . . . . . A 26 TYR CB . 25434 1 234 . 1 1 26 26 TYR CD1 C 13 131.989 0.000 . . . . . A 26 TYR CD1 . 25434 1 235 . 1 1 26 26 TYR CD2 C 13 131.989 0.000 . . . . . A 26 TYR CD2 . 25434 1 236 . 1 1 26 26 TYR CE1 C 13 118.526 0.000 . . . . . A 26 TYR CE1 . 25434 1 237 . 1 1 26 26 TYR CE2 C 13 118.526 0.000 . . . . . A 26 TYR CE2 . 25434 1 238 . 1 1 26 26 TYR N N 15 117.907 0.000 . . . . . A 26 TYR N . 25434 1 239 . 1 1 27 27 TYR H H 1 9.253 0.000 . . . . . A 27 TYR H . 25434 1 240 . 1 1 27 27 TYR HA H 1 5.358 0.000 . . . . . A 27 TYR HA . 25434 1 241 . 1 1 27 27 TYR HB2 H 1 3.554 0.000 . . . . . A 27 TYR HB2 . 25434 1 242 . 1 1 27 27 TYR HB3 H 1 3.342 0.000 . . . . . A 27 TYR HB3 . 25434 1 243 . 1 1 27 27 TYR HD1 H 1 7.399 0.000 . . . . . A 27 TYR QD . 25434 1 244 . 1 1 27 27 TYR HD2 H 1 7.399 0.000 . . . . . A 27 TYR QD . 25434 1 245 . 1 1 27 27 TYR HE1 H 1 7.140 0.000 . . . . . A 27 TYR QE . 25434 1 246 . 1 1 27 27 TYR HE2 H 1 7.140 0.000 . . . . . A 27 TYR QE . 25434 1 247 . 1 1 27 27 TYR CA C 13 58.243 0.000 . . . . . A 27 TYR CA . 25434 1 248 . 1 1 27 27 TYR CB C 13 41.412 0.000 . . . . . A 27 TYR CB . 25434 1 249 . 1 1 27 27 TYR CD1 C 13 133.359 0.000 . . . . . A 27 TYR CD1 . 25434 1 250 . 1 1 27 27 TYR CD2 C 13 133.359 0.000 . . . . . A 27 TYR CD2 . 25434 1 251 . 1 1 27 27 TYR CE1 C 13 119.381 0.000 . . . . . A 27 TYR CE1 . 25434 1 252 . 1 1 27 27 TYR CE2 C 13 119.381 0.000 . . . . . A 27 TYR CE2 . 25434 1 253 . 1 1 27 27 TYR N N 15 116.474 0.000 . . . . . A 27 TYR N . 25434 1 254 . 1 1 28 28 TYR H H 1 9.686 0.000 . . . . . A 28 TYR H . 25434 1 255 . 1 1 28 28 TYR HA H 1 4.778 0.000 . . . . . A 28 TYR HA . 25434 1 256 . 1 1 28 28 TYR HB2 H 1 2.870 0.000 . . . . . A 28 TYR QB . 25434 1 257 . 1 1 28 28 TYR HB3 H 1 2.870 0.000 . . . . . A 28 TYR QB . 25434 1 258 . 1 1 28 28 TYR HD1 H 1 6.230 0.000 . . . . . A 28 TYR QD . 25434 1 259 . 1 1 28 28 TYR HD2 H 1 6.230 0.000 . . . . . A 28 TYR QD . 25434 1 260 . 1 1 28 28 TYR HE1 H 1 6.531 0.000 . . . . . A 28 TYR QE . 25434 1 261 . 1 1 28 28 TYR HE2 H 1 6.531 0.000 . . . . . A 28 TYR QE . 25434 1 262 . 1 1 28 28 TYR CA C 13 56.983 0.000 . . . . . A 28 TYR CA . 25434 1 263 . 1 1 28 28 TYR CB C 13 41.995 0.000 . . . . . A 28 TYR CB . 25434 1 264 . 1 1 28 28 TYR CD1 C 13 133.244 0.000 . . . . . A 28 TYR CD1 . 25434 1 265 . 1 1 28 28 TYR CD2 C 13 133.244 0.000 . . . . . A 28 TYR CD2 . 25434 1 266 . 1 1 28 28 TYR CE1 C 13 118.040 0.000 . . . . . A 28 TYR CE1 . 25434 1 267 . 1 1 28 28 TYR CE2 C 13 118.040 0.000 . . . . . A 28 TYR CE2 . 25434 1 268 . 1 1 28 28 TYR N N 15 122.756 0.000 . . . . . A 28 TYR N . 25434 1 269 . 1 1 29 29 ASP H H 1 7.954 0.000 . . . . . A 29 ASP H . 25434 1 270 . 1 1 29 29 ASP HA H 1 4.752 0.000 . . . . . A 29 ASP HA . 25434 1 271 . 1 1 29 29 ASP HB2 H 1 2.583 0.000 . . . . . A 29 ASP HB2 . 25434 1 272 . 1 1 29 29 ASP HB3 H 1 1.310 0.000 . . . . . A 29 ASP HB3 . 25434 1 273 . 1 1 29 29 ASP CA C 13 49.202 0.000 . . . . . A 29 ASP CA . 25434 1 274 . 1 1 29 29 ASP CB C 13 42.165 0.000 . . . . . A 29 ASP CB . 25434 1 275 . 1 1 29 29 ASP N N 15 125.994 0.000 . . . . . A 29 ASP N . 25434 1 276 . 1 1 30 30 PRO HA H 1 4.070 0.000 . . . . . A 30 PRO HA . 25434 1 277 . 1 1 30 30 PRO HB2 H 1 2.539 0.000 . . . . . A 30 PRO HB2 . 25434 1 278 . 1 1 30 30 PRO HB3 H 1 2.112 0.000 . . . . . A 30 PRO HB3 . 25434 1 279 . 1 1 30 30 PRO HG2 H 1 2.207 0.000 . . . . . A 30 PRO HG2 . 25434 1 280 . 1 1 30 30 PRO HG3 H 1 2.252 0.000 . . . . . A 30 PRO HG3 . 25434 1 281 . 1 1 30 30 PRO HD2 H 1 4.260 0.000 . . . . . A 30 PRO HD2 . 25434 1 282 . 1 1 30 30 PRO HD3 H 1 4.152 0.000 . . . . . A 30 PRO HD3 . 25434 1 283 . 1 1 30 30 PRO CA C 13 63.608 0.000 . . . . . A 30 PRO CA . 25434 1 284 . 1 1 30 30 PRO CB C 13 32.592 0.000 . . . . . A 30 PRO CB . 25434 1 285 . 1 1 30 30 PRO CG C 13 27.391 0.000 . . . . . A 30 PRO CG . 25434 1 286 . 1 1 30 30 PRO CD C 13 51.027 0.000 . . . . . A 30 PRO CD . 25434 1 287 . 1 1 31 31 GLN H H 1 7.989 0.000 . . . . . A 31 GLN H . 25434 1 288 . 1 1 31 31 GLN HA H 1 4.232 0.000 . . . . . A 31 GLN HA . 25434 1 289 . 1 1 31 31 GLN HB2 H 1 2.348 0.000 . . . . . A 31 GLN QB . 25434 1 290 . 1 1 31 31 GLN HB3 H 1 2.348 0.000 . . . . . A 31 GLN QB . 25434 1 291 . 1 1 31 31 GLN HG2 H 1 2.555 0.000 . . . . . A 31 GLN QG . 25434 1 292 . 1 1 31 31 GLN HG3 H 1 2.555 0.000 . . . . . A 31 GLN QG . 25434 1 293 . 1 1 31 31 GLN HE21 H 1 6.902 0.000 . . . . . A 31 GLN HE21 . 25434 1 294 . 1 1 31 31 GLN HE22 H 1 7.770 0.000 . . . . . A 31 GLN HE22 . 25434 1 295 . 1 1 31 31 GLN CA C 13 58.517 0.000 . . . . . A 31 GLN CA . 25434 1 296 . 1 1 31 31 GLN CB C 13 29.305 0.000 . . . . . A 31 GLN CB . 25434 1 297 . 1 1 31 31 GLN CG C 13 34.819 0.000 . . . . . A 31 GLN CG . 25434 1 298 . 1 1 31 31 GLN N N 15 115.244 0.000 . . . . . A 31 GLN N . 25434 1 299 . 1 1 31 31 GLN NE2 N 15 111.517 0.000 . . . . . A 31 GLN NE2 . 25434 1 300 . 1 1 32 32 THR H H 1 6.765 0.000 . . . . . A 32 THR H . 25434 1 301 . 1 1 32 32 THR HA H 1 4.332 0.000 . . . . . A 32 THR HA . 25434 1 302 . 1 1 32 32 THR HB H 1 3.896 0.000 . . . . . A 32 THR HB . 25434 1 303 . 1 1 32 32 THR HG21 H 1 1.142 0.000 . . . . . A 32 THR QG2 . 25434 1 304 . 1 1 32 32 THR HG22 H 1 1.142 0.000 . . . . . A 32 THR QG2 . 25434 1 305 . 1 1 32 32 THR HG23 H 1 1.142 0.000 . . . . . A 32 THR QG2 . 25434 1 306 . 1 1 32 32 THR CA C 13 61.768 0.000 . . . . . A 32 THR CA . 25434 1 307 . 1 1 32 32 THR CB C 13 71.212 0.000 . . . . . A 32 THR CB . 25434 1 308 . 1 1 32 32 THR CG2 C 13 21.361 0.000 . . . . . A 32 THR CG2 . 25434 1 309 . 1 1 32 32 THR N N 15 104.641 0.000 . . . . . A 32 THR N . 25434 1 310 . 1 1 33 33 GLY H H 1 8.439 0.000 . . . . . A 33 GLY H . 25434 1 311 . 1 1 33 33 GLY HA2 H 1 3.648 0.000 . . . . . A 33 GLY HA2 . 25434 1 312 . 1 1 33 33 GLY HA3 H 1 4.140 0.000 . . . . . A 33 GLY HA3 . 25434 1 313 . 1 1 33 33 GLY CA C 13 45.527 0.000 . . . . . A 33 GLY CA . 25434 1 314 . 1 1 33 33 GLY N N 15 111.318 0.000 . . . . . A 33 GLY N . 25434 1 315 . 1 1 34 34 LEU H H 1 7.422 0.000 . . . . . A 34 LEU H . 25434 1 316 . 1 1 34 34 LEU HA H 1 4.601 0.000 . . . . . A 34 LEU HA . 25434 1 317 . 1 1 34 34 LEU HB2 H 1 1.752 0.000 . . . . . A 34 LEU HB2 . 25434 1 318 . 1 1 34 34 LEU HB3 H 1 1.470 0.000 . . . . . A 34 LEU HB3 . 25434 1 319 . 1 1 34 34 LEU HG H 1 1.257 0.000 . . . . . A 34 LEU HG . 25434 1 320 . 1 1 34 34 LEU HD11 H 1 -0.033 0.000 . . . . . A 34 LEU QD1 . 25434 1 321 . 1 1 34 34 LEU HD12 H 1 -0.033 0.000 . . . . . A 34 LEU QD1 . 25434 1 322 . 1 1 34 34 LEU HD13 H 1 -0.033 0.000 . . . . . A 34 LEU QD1 . 25434 1 323 . 1 1 34 34 LEU HD21 H 1 0.723 0.000 . . . . . A 34 LEU QD2 . 25434 1 324 . 1 1 34 34 LEU HD22 H 1 0.723 0.000 . . . . . A 34 LEU QD2 . 25434 1 325 . 1 1 34 34 LEU HD23 H 1 0.723 0.000 . . . . . A 34 LEU QD2 . 25434 1 326 . 1 1 34 34 LEU CA C 13 54.021 0.000 . . . . . A 34 LEU CA . 25434 1 327 . 1 1 34 34 LEU CB C 13 44.529 0.000 . . . . . A 34 LEU CB . 25434 1 328 . 1 1 34 34 LEU CG C 13 26.926 0.000 . . . . . A 34 LEU CG . 25434 1 329 . 1 1 34 34 LEU CD1 C 13 23.906 0.000 . . . . . A 34 LEU CD1 . 25434 1 330 . 1 1 34 34 LEU CD2 C 13 23.128 0.000 . . . . . A 34 LEU CD2 . 25434 1 331 . 1 1 34 34 LEU N N 15 118.537 0.000 . . . . . A 34 LEU N . 25434 1 332 . 1 1 35 35 TYR H H 1 8.692 0.000 . . . . . A 35 TYR H . 25434 1 333 . 1 1 35 35 TYR HA H 1 5.522 0.000 . . . . . A 35 TYR HA . 25434 1 334 . 1 1 35 35 TYR HB2 H 1 3.138 0.000 . . . . . A 35 TYR HB2 . 25434 1 335 . 1 1 35 35 TYR HB3 H 1 3.250 0.000 . . . . . A 35 TYR HB3 . 25434 1 336 . 1 1 35 35 TYR HD1 H 1 7.448 0.000 . . . . . A 35 TYR QD . 25434 1 337 . 1 1 35 35 TYR HD2 H 1 7.448 0.000 . . . . . A 35 TYR QD . 25434 1 338 . 1 1 35 35 TYR HE1 H 1 6.953 0.000 . . . . . A 35 TYR QE . 25434 1 339 . 1 1 35 35 TYR HE2 H 1 6.953 0.000 . . . . . A 35 TYR QE . 25434 1 340 . 1 1 35 35 TYR CA C 13 57.246 0.000 . . . . . A 35 TYR CA . 25434 1 341 . 1 1 35 35 TYR CB C 13 40.876 0.000 . . . . . A 35 TYR CB . 25434 1 342 . 1 1 35 35 TYR CD1 C 13 133.862 0.000 . . . . . A 35 TYR CD1 . 25434 1 343 . 1 1 35 35 TYR CD2 C 13 133.862 0.000 . . . . . A 35 TYR CD2 . 25434 1 344 . 1 1 35 35 TYR CE1 C 13 119.109 0.000 . . . . . A 35 TYR CE1 . 25434 1 345 . 1 1 35 35 TYR CE2 C 13 119.109 0.000 . . . . . A 35 TYR CE2 . 25434 1 346 . 1 1 35 35 TYR N N 15 116.166 0.000 . . . . . A 35 TYR N . 25434 1 347 . 1 1 36 36 TYR H H 1 9.745 0.000 . . . . . A 36 TYR H . 25434 1 348 . 1 1 36 36 TYR HA H 1 4.956 0.000 . . . . . A 36 TYR HA . 25434 1 349 . 1 1 36 36 TYR HB2 H 1 2.632 0.000 . . . . . A 36 TYR HB2 . 25434 1 350 . 1 1 36 36 TYR HB3 H 1 2.794 0.000 . . . . . A 36 TYR HB3 . 25434 1 351 . 1 1 36 36 TYR HD1 H 1 6.142 0.000 . . . . . A 36 TYR QD . 25434 1 352 . 1 1 36 36 TYR HD2 H 1 6.142 0.000 . . . . . A 36 TYR QD . 25434 1 353 . 1 1 36 36 TYR HE1 H 1 6.506 0.000 . . . . . A 36 TYR QE . 25434 1 354 . 1 1 36 36 TYR HE2 H 1 6.506 0.000 . . . . . A 36 TYR QE . 25434 1 355 . 1 1 36 36 TYR CA C 13 56.977 0.000 . . . . . A 36 TYR CA . 25434 1 356 . 1 1 36 36 TYR CB C 13 42.714 0.000 . . . . . A 36 TYR CB . 25434 1 357 . 1 1 36 36 TYR CD1 C 13 133.140 0.000 . . . . . A 36 TYR CD1 . 25434 1 358 . 1 1 36 36 TYR CD2 C 13 133.145 0.000 . . . . . A 36 TYR CD2 . 25434 1 359 . 1 1 36 36 TYR CE1 C 13 117.865 0.000 . . . . . A 36 TYR CE1 . 25434 1 360 . 1 1 36 36 TYR CE2 C 13 117.865 0.000 . . . . . A 36 TYR CE2 . 25434 1 361 . 1 1 36 36 TYR N N 15 121.442 0.000 . . . . . A 36 TYR N . 25434 1 362 . 1 1 37 37 ASP H H 1 8.029 0.000 . . . . . A 37 ASP H . 25434 1 363 . 1 1 37 37 ASP HA H 1 5.241 0.000 . . . . . A 37 ASP HA . 25434 1 364 . 1 1 37 37 ASP HB2 H 1 2.279 0.000 . . . . . A 37 ASP HB2 . 25434 1 365 . 1 1 37 37 ASP HB3 H 1 3.020 0.000 . . . . . A 37 ASP HB3 . 25434 1 366 . 1 1 37 37 ASP CA C 13 49.282 0.000 . . . . . A 37 ASP CA . 25434 1 367 . 1 1 37 37 ASP CB C 13 42.859 0.000 . . . . . A 37 ASP CB . 25434 1 368 . 1 1 37 37 ASP N N 15 127.129 0.000 . . . . . A 37 ASP N . 25434 1 369 . 1 1 38 38 PRO HA H 1 4.079 0.000 . . . . . A 38 PRO HA . 25434 1 370 . 1 1 38 38 PRO HB2 H 1 2.435 0.000 . . . . . A 38 PRO HB2 . 25434 1 371 . 1 1 38 38 PRO HB3 H 1 2.219 0.000 . . . . . A 38 PRO HB3 . 25434 1 372 . 1 1 38 38 PRO HG2 H 1 2.264 0.000 . . . . . A 38 PRO QG . 25434 1 373 . 1 1 38 38 PRO HG3 H 1 2.264 0.000 . . . . . A 38 PRO QG . 25434 1 374 . 1 1 38 38 PRO HD2 H 1 4.265 0.000 . . . . . A 38 PRO HD2 . 25434 1 375 . 1 1 38 38 PRO HD3 H 1 4.484 0.000 . . . . . A 38 PRO HD3 . 25434 1 376 . 1 1 38 38 PRO CA C 13 63.729 0.000 . . . . . A 38 PRO CA . 25434 1 377 . 1 1 38 38 PRO CB C 13 32.488 0.000 . . . . . A 38 PRO CB . 25434 1 378 . 1 1 38 38 PRO CG C 13 27.504 0.000 . . . . . A 38 PRO CG . 25434 1 379 . 1 1 38 38 PRO CD C 13 51.224 0.000 . . . . . A 38 PRO CD . 25434 1 380 . 1 1 39 39 ASN H H 1 8.232 0.000 . . . . . A 39 ASN H . 25434 1 381 . 1 1 39 39 ASN HA H 1 4.678 0.000 . . . . . A 39 ASN HA . 25434 1 382 . 1 1 39 39 ASN HB2 H 1 2.955 0.000 . . . . . A 39 ASN HB2 . 25434 1 383 . 1 1 39 39 ASN HB3 H 1 3.132 0.000 . . . . . A 39 ASN HB3 . 25434 1 384 . 1 1 39 39 ASN HD21 H 1 7.216 0.000 . . . . . A 39 ASN HD21 . 25434 1 385 . 1 1 39 39 ASN HD22 H 1 8.106 0.000 . . . . . A 39 ASN HD22 . 25434 1 386 . 1 1 39 39 ASN CA C 13 55.719 0.000 . . . . . A 39 ASN CA . 25434 1 387 . 1 1 39 39 ASN CB C 13 38.987 0.000 . . . . . A 39 ASN CB . 25434 1 388 . 1 1 39 39 ASN N N 15 115.838 0.000 . . . . . A 39 ASN N . 25434 1 389 . 1 1 39 39 ASN ND2 N 15 115.135 0.000 . . . . . A 39 ASN ND2 . 25434 1 390 . 1 1 40 40 SER H H 1 7.371 0.000 . . . . . A 40 SER H . 25434 1 391 . 1 1 40 40 SER HA H 1 4.346 0.000 . . . . . A 40 SER HA . 25434 1 392 . 1 1 40 40 SER HB2 H 1 3.772 0.000 . . . . . A 40 SER HB2 . 25434 1 393 . 1 1 40 40 SER HB3 H 1 3.701 0.000 . . . . . A 40 SER HB3 . 25434 1 394 . 1 1 40 40 SER CA C 13 58.832 0.000 . . . . . A 40 SER CA . 25434 1 395 . 1 1 40 40 SER CB C 13 64.576 0.000 . . . . . A 40 SER CB . 25434 1 396 . 1 1 40 40 SER N N 15 112.476 0.000 . . . . . A 40 SER N . 25434 1 397 . 1 1 41 41 GLN H H 1 8.203 0.000 . . . . . A 41 GLN H . 25434 1 398 . 1 1 41 41 GLN HA H 1 3.780 0.000 . . . . . A 41 GLN HA . 25434 1 399 . 1 1 41 41 GLN HB2 H 1 2.594 0.000 . . . . . A 41 GLN HB2 . 25434 1 400 . 1 1 41 41 GLN HB3 H 1 2.572 0.000 . . . . . A 41 GLN HB3 . 25434 1 401 . 1 1 41 41 GLN HG2 H 1 2.397 0.000 . . . . . A 41 GLN HG2 . 25434 1 402 . 1 1 41 41 GLN HG3 H 1 2.264 0.000 . . . . . A 41 GLN HG3 . 25434 1 403 . 1 1 41 41 GLN HE21 H 1 6.853 0.000 . . . . . A 41 GLN HE21 . 25434 1 404 . 1 1 41 41 GLN HE22 H 1 7.532 0.000 . . . . . A 41 GLN HE22 . 25434 1 405 . 1 1 41 41 GLN CA C 13 58.162 0.000 . . . . . A 41 GLN CA . 25434 1 406 . 1 1 41 41 GLN CB C 13 25.977 0.000 . . . . . A 41 GLN CB . 25434 1 407 . 1 1 41 41 GLN CG C 13 34.944 0.000 . . . . . A 41 GLN CG . 25434 1 408 . 1 1 41 41 GLN N N 15 114.329 0.000 . . . . . A 41 GLN N . 25434 1 409 . 1 1 41 41 GLN NE2 N 15 111.677 0.000 . . . . . A 41 GLN NE2 . 25434 1 410 . 1 1 42 42 TYR H H 1 7.621 0.000 . . . . . A 42 TYR H . 25434 1 411 . 1 1 42 42 TYR HA H 1 5.521 0.000 . . . . . A 42 TYR HA . 25434 1 412 . 1 1 42 42 TYR HB2 H 1 3.669 0.000 . . . . . A 42 TYR HB2 . 25434 1 413 . 1 1 42 42 TYR HB3 H 1 3.173 0.000 . . . . . A 42 TYR HB3 . 25434 1 414 . 1 1 42 42 TYR HD1 H 1 7.251 0.000 . . . . . A 42 TYR QD . 25434 1 415 . 1 1 42 42 TYR HD2 H 1 7.251 0.000 . . . . . A 42 TYR QD . 25434 1 416 . 1 1 42 42 TYR HE1 H 1 6.867 0.000 . . . . . A 42 TYR QE . 25434 1 417 . 1 1 42 42 TYR HE2 H 1 6.867 0.000 . . . . . A 42 TYR QE . 25434 1 418 . 1 1 42 42 TYR CA C 13 56.636 0.000 . . . . . A 42 TYR CA . 25434 1 419 . 1 1 42 42 TYR CB C 13 40.381 0.000 . . . . . A 42 TYR CB . 25434 1 420 . 1 1 42 42 TYR CD1 C 13 132.695 0.000 . . . . . A 42 TYR CD1 . 25434 1 421 . 1 1 42 42 TYR CD2 C 13 132.695 0.000 . . . . . A 42 TYR CD2 . 25434 1 422 . 1 1 42 42 TYR CE1 C 13 118.566 0.000 . . . . . A 42 TYR CE1 . 25434 1 423 . 1 1 42 42 TYR CE2 C 13 118.566 0.000 . . . . . A 42 TYR CE2 . 25434 1 424 . 1 1 42 42 TYR N N 15 115.202 0.000 . . . . . A 42 TYR N . 25434 1 425 . 1 1 43 43 TYR H H 1 9.724 0.000 . . . . . A 43 TYR H . 25434 1 426 . 1 1 43 43 TYR HA H 1 5.695 0.000 . . . . . A 43 TYR HA . 25434 1 427 . 1 1 43 43 TYR HB2 H 1 2.974 0.000 . . . . . A 43 TYR HB2 . 25434 1 428 . 1 1 43 43 TYR HB3 H 1 3.042 0.000 . . . . . A 43 TYR HB3 . 25434 1 429 . 1 1 43 43 TYR HD1 H 1 7.338 0.000 . . . . . A 43 TYR QD . 25434 1 430 . 1 1 43 43 TYR HD2 H 1 7.338 0.000 . . . . . A 43 TYR QD . 25434 1 431 . 1 1 43 43 TYR HE1 H 1 7.031 0.000 . . . . . A 43 TYR QE . 25434 1 432 . 1 1 43 43 TYR HE2 H 1 7.031 0.000 . . . . . A 43 TYR QE . 25434 1 433 . 1 1 43 43 TYR CA C 13 57.321 0.000 . . . . . A 43 TYR CA . 25434 1 434 . 1 1 43 43 TYR CB C 13 41.858 0.000 . . . . . A 43 TYR CB . 25434 1 435 . 1 1 43 43 TYR CD1 C 13 133.983 0.000 . . . . . A 43 TYR CD1 . 25434 1 436 . 1 1 43 43 TYR CD2 C 13 133.983 0.000 . . . . . A 43 TYR CD2 . 25434 1 437 . 1 1 43 43 TYR CE1 C 13 118.576 0.000 . . . . . A 43 TYR CE1 . 25434 1 438 . 1 1 43 43 TYR CE2 C 13 118.572 0.000 . . . . . A 43 TYR CE2 . 25434 1 439 . 1 1 43 43 TYR N N 15 118.608 0.000 . . . . . A 43 TYR N . 25434 1 440 . 1 1 44 44 TYR H H 1 9.594 0.000 . . . . . A 44 TYR H . 25434 1 441 . 1 1 44 44 TYR HA H 1 5.182 0.000 . . . . . A 44 TYR HA . 25434 1 442 . 1 1 44 44 TYR HB2 H 1 2.787 0.000 . . . . . A 44 TYR HB2 . 25434 1 443 . 1 1 44 44 TYR HB3 H 1 2.566 0.000 . . . . . A 44 TYR HB3 . 25434 1 444 . 1 1 44 44 TYR HD1 H 1 6.053 0.000 . . . . . A 44 TYR QD . 25434 1 445 . 1 1 44 44 TYR HD2 H 1 6.053 0.000 . . . . . A 44 TYR QD . 25434 1 446 . 1 1 44 44 TYR HE1 H 1 6.323 0.000 . . . . . A 44 TYR QE . 25434 1 447 . 1 1 44 44 TYR HE2 H 1 6.323 0.000 . . . . . A 44 TYR QE . 25434 1 448 . 1 1 44 44 TYR CA C 13 56.548 0.000 . . . . . A 44 TYR CA . 25434 1 449 . 1 1 44 44 TYR CB C 13 42.263 0.000 . . . . . A 44 TYR CB . 25434 1 450 . 1 1 44 44 TYR CD1 C 13 133.142 0.000 . . . . . A 44 TYR CD1 . 25434 1 451 . 1 1 44 44 TYR CD2 C 13 133.142 0.000 . . . . . A 44 TYR CD2 . 25434 1 452 . 1 1 44 44 TYR CE1 C 13 117.616 0.000 . . . . . A 44 TYR CE1 . 25434 1 453 . 1 1 44 44 TYR CE2 C 13 117.616 0.000 . . . . . A 44 TYR CE2 . 25434 1 454 . 1 1 44 44 TYR N N 15 121.727 0.000 . . . . . A 44 TYR N . 25434 1 455 . 1 1 45 45 ASN H H 1 8.244 0.000 . . . . . A 45 ASN H . 25434 1 456 . 1 1 45 45 ASN HA H 1 5.005 0.000 . . . . . A 45 ASN HA . 25434 1 457 . 1 1 45 45 ASN HB2 H 1 2.221 0.000 . . . . . A 45 ASN HB2 . 25434 1 458 . 1 1 45 45 ASN HB3 H 1 3.119 0.000 . . . . . A 45 ASN HB3 . 25434 1 459 . 1 1 45 45 ASN HD21 H 1 7.197 0.000 . . . . . A 45 ASN HD21 . 25434 1 460 . 1 1 45 45 ASN HD22 H 1 7.255 0.000 . . . . . A 45 ASN HD22 . 25434 1 461 . 1 1 45 45 ASN CA C 13 50.920 0.000 . . . . . A 45 ASN CA . 25434 1 462 . 1 1 45 45 ASN CB C 13 39.271 0.000 . . . . . A 45 ASN CB . 25434 1 463 . 1 1 45 45 ASN N N 15 125.423 0.000 . . . . . A 45 ASN N . 25434 1 464 . 1 1 45 45 ASN ND2 N 15 112.372 0.000 . . . . . A 45 ASN ND2 . 25434 1 465 . 1 1 46 46 ALA H H 1 8.974 0.000 . . . . . A 46 ALA H . 25434 1 466 . 1 1 46 46 ALA HA H 1 3.777 0.000 . . . . . A 46 ALA HA . 25434 1 467 . 1 1 46 46 ALA HB1 H 1 1.595 0.000 . . . . . A 46 ALA QB . 25434 1 468 . 1 1 46 46 ALA HB2 H 1 1.595 0.000 . . . . . A 46 ALA QB . 25434 1 469 . 1 1 46 46 ALA HB3 H 1 1.595 0.000 . . . . . A 46 ALA QB . 25434 1 470 . 1 1 46 46 ALA CA C 13 53.773 0.000 . . . . . A 46 ALA CA . 25434 1 471 . 1 1 46 46 ALA CB C 13 19.155 0.000 . . . . . A 46 ALA CB . 25434 1 472 . 1 1 46 46 ALA N N 15 126.039 0.000 . . . . . A 46 ALA N . 25434 1 473 . 1 1 47 47 GLN H H 1 8.349 0.000 . . . . . A 47 GLN H . 25434 1 474 . 1 1 47 47 GLN HA H 1 4.294 0.000 . . . . . A 47 GLN HA . 25434 1 475 . 1 1 47 47 GLN HB2 H 1 2.351 0.000 . . . . . A 47 GLN HB2 . 25434 1 476 . 1 1 47 47 GLN HB3 H 1 2.247 0.000 . . . . . A 47 GLN HB3 . 25434 1 477 . 1 1 47 47 GLN HG2 H 1 2.533 0.000 . . . . . A 47 GLN QG . 25434 1 478 . 1 1 47 47 GLN HG3 H 1 2.533 0.000 . . . . . A 47 GLN QG . 25434 1 479 . 1 1 47 47 GLN HE21 H 1 7.545 0.000 . . . . . A 47 GLN HE21 . 25434 1 480 . 1 1 47 47 GLN CA C 13 58.628 0.000 . . . . . A 47 GLN CA . 25434 1 481 . 1 1 47 47 GLN CB C 13 28.523 0.000 . . . . . A 47 GLN CB . 25434 1 482 . 1 1 47 47 GLN CG C 13 34.770 0.000 . . . . . A 47 GLN CG . 25434 1 483 . 1 1 47 47 GLN N N 15 116.850 0.000 . . . . . A 47 GLN N . 25434 1 484 . 1 1 47 47 GLN NE2 N 15 111.616 0.000 . . . . . A 47 GLN NE2 . 25434 1 485 . 1 1 48 48 SER H H 1 7.544 0.000 . . . . . A 48 SER H . 25434 1 486 . 1 1 48 48 SER HA H 1 4.474 0.000 . . . . . A 48 SER HA . 25434 1 487 . 1 1 48 48 SER HB2 H 1 3.951 0.000 . . . . . A 48 SER HB2 . 25434 1 488 . 1 1 48 48 SER HB3 H 1 3.744 0.000 . . . . . A 48 SER HB3 . 25434 1 489 . 1 1 48 48 SER CA C 13 57.580 0.000 . . . . . A 48 SER CA . 25434 1 490 . 1 1 48 48 SER CB C 13 64.262 0.000 . . . . . A 48 SER CB . 25434 1 491 . 1 1 48 48 SER N N 15 111.872 0.000 . . . . . A 48 SER N . 25434 1 492 . 1 1 49 49 GLN H H 1 7.969 0.000 . . . . . A 49 GLN H . 25434 1 493 . 1 1 49 49 GLN HA H 1 3.721 0.000 . . . . . A 49 GLN HA . 25434 1 494 . 1 1 49 49 GLN HB2 H 1 2.487 0.000 . . . . . A 49 GLN HB2 . 25434 1 495 . 1 1 49 49 GLN HB3 H 1 2.328 0.000 . . . . . A 49 GLN HB3 . 25434 1 496 . 1 1 49 49 GLN HG2 H 1 2.245 0.000 . . . . . A 49 GLN HG2 . 25434 1 497 . 1 1 49 49 GLN HG3 H 1 2.355 0.000 . . . . . A 49 GLN HG3 . 25434 1 498 . 1 1 49 49 GLN HE21 H 1 6.810 0.000 . . . . . A 49 GLN HE21 . 25434 1 499 . 1 1 49 49 GLN HE22 H 1 7.526 0.000 . . . . . A 49 GLN HE22 . 25434 1 500 . 1 1 49 49 GLN CA C 13 57.175 0.000 . . . . . A 49 GLN CA . 25434 1 501 . 1 1 49 49 GLN CB C 13 25.933 0.000 . . . . . A 49 GLN CB . 25434 1 502 . 1 1 49 49 GLN CG C 13 34.650 0.000 . . . . . A 49 GLN CG . 25434 1 503 . 1 1 49 49 GLN N N 15 118.063 0.000 . . . . . A 49 GLN N . 25434 1 504 . 1 1 49 49 GLN NE2 N 15 111.800 0.000 . . . . . A 49 GLN NE2 . 25434 1 505 . 1 1 50 50 GLN H H 1 7.180 0.000 . . . . . A 50 GLN H . 25434 1 506 . 1 1 50 50 GLN HA H 1 4.819 0.000 . . . . . A 50 GLN HA . 25434 1 507 . 1 1 50 50 GLN HB2 H 1 2.037 0.000 . . . . . A 50 GLN HB2 . 25434 1 508 . 1 1 50 50 GLN HB3 H 1 1.791 0.000 . . . . . A 50 GLN HB3 . 25434 1 509 . 1 1 50 50 GLN HG2 H 1 2.395 0.000 . . . . . A 50 GLN QG . 25434 1 510 . 1 1 50 50 GLN HG3 H 1 2.395 0.000 . . . . . A 50 GLN QG . 25434 1 511 . 1 1 50 50 GLN HE21 H 1 7.773 0.000 . . . . . A 50 GLN HE21 . 25434 1 512 . 1 1 50 50 GLN HE22 H 1 7.029 0.000 . . . . . A 50 GLN HE22 . 25434 1 513 . 1 1 50 50 GLN CA C 13 54.501 0.000 . . . . . A 50 GLN CA . 25434 1 514 . 1 1 50 50 GLN CB C 13 33.410 0.000 . . . . . A 50 GLN CB . 25434 1 515 . 1 1 50 50 GLN CG C 13 34.360 0.000 . . . . . A 50 GLN CG . 25434 1 516 . 1 1 50 50 GLN N N 15 116.254 0.000 . . . . . A 50 GLN N . 25434 1 517 . 1 1 50 50 GLN NE2 N 15 112.306 0.000 . . . . . A 50 GLN NE2 . 25434 1 518 . 1 1 51 51 TYR H H 1 8.931 0.000 . . . . . A 51 TYR H . 25434 1 519 . 1 1 51 51 TYR HA H 1 5.680 0.000 . . . . . A 51 TYR HA . 25434 1 520 . 1 1 51 51 TYR HB2 H 1 2.829 0.000 . . . . . A 51 TYR HB2 . 25434 1 521 . 1 1 51 51 TYR HB3 H 1 2.919 0.000 . . . . . A 51 TYR HB3 . 25434 1 522 . 1 1 51 51 TYR HD1 H 1 7.332 0.000 . . . . . A 51 TYR QD . 25434 1 523 . 1 1 51 51 TYR HD2 H 1 7.332 0.000 . . . . . A 51 TYR QD . 25434 1 524 . 1 1 51 51 TYR HE1 H 1 6.788 0.000 . . . . . A 51 TYR QE . 25434 1 525 . 1 1 51 51 TYR HE2 H 1 6.788 0.000 . . . . . A 51 TYR QE . 25434 1 526 . 1 1 51 51 TYR CA C 13 58.170 0.000 . . . . . A 51 TYR CA . 25434 1 527 . 1 1 51 51 TYR CB C 13 40.066 0.000 . . . . . A 51 TYR CB . 25434 1 528 . 1 1 51 51 TYR CD1 C 13 133.774 0.000 . . . . . A 51 TYR CD1 . 25434 1 529 . 1 1 51 51 TYR CD2 C 13 133.774 0.000 . . . . . A 51 TYR CD2 . 25434 1 530 . 1 1 51 51 TYR CE1 C 13 118.760 0.000 . . . . . A 51 TYR CE1 . 25434 1 531 . 1 1 51 51 TYR CE2 C 13 118.760 0.000 . . . . . A 51 TYR CE2 . 25434 1 532 . 1 1 51 51 TYR N N 15 121.463 0.000 . . . . . A 51 TYR N . 25434 1 533 . 1 1 52 52 LEU H H 1 9.726 0.000 . . . . . A 52 LEU H . 25434 1 534 . 1 1 52 52 LEU HA H 1 5.548 0.000 . . . . . A 52 LEU HA . 25434 1 535 . 1 1 52 52 LEU HB2 H 1 1.618 0.000 . . . . . A 52 LEU HB2 . 25434 1 536 . 1 1 52 52 LEU HB3 H 1 1.705 0.000 . . . . . A 52 LEU HB3 . 25434 1 537 . 1 1 52 52 LEU HG H 1 0.795 0.000 . . . . . A 52 LEU HG . 25434 1 538 . 1 1 52 52 LEU HD11 H 1 0.739 0.000 . . . . . A 52 LEU QD1 . 25434 1 539 . 1 1 52 52 LEU HD12 H 1 0.739 0.000 . . . . . A 52 LEU QD1 . 25434 1 540 . 1 1 52 52 LEU HD13 H 1 0.739 0.000 . . . . . A 52 LEU QD1 . 25434 1 541 . 1 1 52 52 LEU HD21 H 1 1.585 0.000 . . . . . A 52 LEU QD2 . 25434 1 542 . 1 1 52 52 LEU HD22 H 1 1.585 0.000 . . . . . A 52 LEU QD2 . 25434 1 543 . 1 1 52 52 LEU HD23 H 1 1.585 0.000 . . . . . A 52 LEU QD2 . 25434 1 544 . 1 1 52 52 LEU CA C 13 54.433 0.000 . . . . . A 52 LEU CA . 25434 1 545 . 1 1 52 52 LEU CB C 13 48.049 0.000 . . . . . A 52 LEU CB . 25434 1 546 . 1 1 52 52 LEU CG C 13 27.302 0.000 . . . . . A 52 LEU CG . 25434 1 547 . 1 1 52 52 LEU CD1 C 13 24.672 0.000 . . . . . A 52 LEU CD1 . 25434 1 548 . 1 1 52 52 LEU CD2 C 13 27.582 0.000 . . . . . A 52 LEU CD2 . 25434 1 549 . 1 1 52 52 LEU N N 15 122.429 0.000 . . . . . A 52 LEU N . 25434 1 550 . 1 1 53 53 TYR H H 1 9.533 0.000 . . . . . A 53 TYR H . 25434 1 551 . 1 1 53 53 TYR HA H 1 5.877 0.000 . . . . . A 53 TYR HA . 25434 1 552 . 1 1 53 53 TYR HB2 H 1 3.460 0.000 . . . . . A 53 TYR HB2 . 25434 1 553 . 1 1 53 53 TYR HB3 H 1 3.225 0.000 . . . . . A 53 TYR HB3 . 25434 1 554 . 1 1 53 53 TYR HD1 H 1 7.166 0.000 . . . . . A 53 TYR QD . 25434 1 555 . 1 1 53 53 TYR HD2 H 1 7.166 0.000 . . . . . A 53 TYR QD . 25434 1 556 . 1 1 53 53 TYR HE1 H 1 6.922 0.000 . . . . . A 53 TYR QE . 25434 1 557 . 1 1 53 53 TYR HE2 H 1 6.922 0.000 . . . . . A 53 TYR QE . 25434 1 558 . 1 1 53 53 TYR CA C 13 55.717 0.000 . . . . . A 53 TYR CA . 25434 1 559 . 1 1 53 53 TYR CB C 13 42.127 0.000 . . . . . A 53 TYR CB . 25434 1 560 . 1 1 53 53 TYR CD1 C 13 134.265 0.000 . . . . . A 53 TYR CD1 . 25434 1 561 . 1 1 53 53 TYR CD2 C 13 134.265 0.000 . . . . . A 53 TYR CD2 . 25434 1 562 . 1 1 53 53 TYR CE1 C 13 118.676 0.000 . . . . . A 53 TYR CE1 . 25434 1 563 . 1 1 53 53 TYR CE2 C 13 118.676 0.000 . . . . . A 53 TYR CE2 . 25434 1 564 . 1 1 53 53 TYR N N 15 117.639 0.000 . . . . . A 53 TYR N . 25434 1 565 . 1 1 54 54 TRP H H 1 9.253 0.000 . . . . . A 54 TRP H . 25434 1 566 . 1 1 54 54 TRP HA H 1 4.506 0.000 . . . . . A 54 TRP HA . 25434 1 567 . 1 1 54 54 TRP HB2 H 1 3.362 0.000 . . . . . A 54 TRP HB2 . 25434 1 568 . 1 1 54 54 TRP HB3 H 1 3.021 0.000 . . . . . A 54 TRP HB3 . 25434 1 569 . 1 1 54 54 TRP HD1 H 1 7.077 0.000 . . . . . A 54 TRP HD1 . 25434 1 570 . 1 1 54 54 TRP HE1 H 1 10.188 0.000 . . . . . A 54 TRP HE1 . 25434 1 571 . 1 1 54 54 TRP HE3 H 1 5.526 0.000 . . . . . A 54 TRP HE3 . 25434 1 572 . 1 1 54 54 TRP HZ2 H 1 7.246 0.000 . . . . . A 54 TRP HZ2 . 25434 1 573 . 1 1 54 54 TRP HZ3 H 1 6.245 0.000 . . . . . A 54 TRP HZ3 . 25434 1 574 . 1 1 54 54 TRP HH2 H 1 6.860 0.000 . . . . . A 54 TRP HH2 . 25434 1 575 . 1 1 54 54 TRP CA C 13 56.813 0.000 . . . . . A 54 TRP CA . 25434 1 576 . 1 1 54 54 TRP CB C 13 30.348 0.000 . . . . . A 54 TRP CB . 25434 1 577 . 1 1 54 54 TRP CD1 C 13 127.664 0.000 . . . . . A 54 TRP CD1 . 25434 1 578 . 1 1 54 54 TRP CE3 C 13 121.943 0.000 . . . . . A 54 TRP CE3 . 25434 1 579 . 1 1 54 54 TRP CZ2 C 13 113.002 0.000 . . . . . A 54 TRP CZ2 . 25434 1 580 . 1 1 54 54 TRP CZ3 C 13 121.601 0.000 . . . . . A 54 TRP CZ3 . 25434 1 581 . 1 1 54 54 TRP CH2 C 13 124.620 0.000 . . . . . A 54 TRP CH2 . 25434 1 582 . 1 1 54 54 TRP N N 15 122.206 0.000 . . . . . A 54 TRP N . 25434 1 583 . 1 1 54 54 TRP NE1 N 15 127.239 0.000 . . . . . A 54 TRP NE1 . 25434 1 584 . 1 1 55 55 ASP H H 1 8.031 0.000 . . . . . A 55 ASP H . 25434 1 585 . 1 1 55 55 ASP HA H 1 4.695 0.000 . . . . . A 55 ASP HA . 25434 1 586 . 1 1 55 55 ASP HB2 H 1 2.273 0.000 . . . . . A 55 ASP HB2 . 25434 1 587 . 1 1 55 55 ASP HB3 H 1 2.647 0.000 . . . . . A 55 ASP HB3 . 25434 1 588 . 1 1 55 55 ASP CA C 13 51.883 0.000 . . . . . A 55 ASP CA . 25434 1 589 . 1 1 55 55 ASP CB C 13 42.843 0.000 . . . . . A 55 ASP CB . 25434 1 590 . 1 1 55 55 ASP N N 15 128.978 0.000 . . . . . A 55 ASP N . 25434 1 591 . 1 1 56 56 GLY H H 1 8.548 0.000 . . . . . A 56 GLY H . 25434 1 592 . 1 1 56 56 GLY HA2 H 1 3.676 0.000 . . . . . A 56 GLY HA2 . 25434 1 593 . 1 1 56 56 GLY HA3 H 1 3.967 0.000 . . . . . A 56 GLY HA3 . 25434 1 594 . 1 1 56 56 GLY CA C 13 46.775 0.000 . . . . . A 56 GLY CA . 25434 1 595 . 1 1 56 56 GLY N N 15 111.521 0.000 . . . . . A 56 GLY N . 25434 1 596 . 1 1 57 57 GLU H H 1 8.188 0.000 . . . . . A 57 GLU H . 25434 1 597 . 1 1 57 57 GLU HA H 1 4.293 0.000 . . . . . A 57 GLU HA . 25434 1 598 . 1 1 57 57 GLU HB2 H 1 2.188 0.000 . . . . . A 57 GLU QB . 25434 1 599 . 1 1 57 57 GLU HB3 H 1 2.188 0.000 . . . . . A 57 GLU QB . 25434 1 600 . 1 1 57 57 GLU HG2 H 1 2.391 0.000 . . . . . A 57 GLU HG2 . 25434 1 601 . 1 1 57 57 GLU HG3 H 1 2.296 0.000 . . . . . A 57 GLU HG3 . 25434 1 602 . 1 1 57 57 GLU CA C 13 58.318 0.000 . . . . . A 57 GLU CA . 25434 1 603 . 1 1 57 57 GLU CB C 13 29.883 0.000 . . . . . A 57 GLU CB . 25434 1 604 . 1 1 57 57 GLU CG C 13 36.570 0.000 . . . . . A 57 GLU CG . 25434 1 605 . 1 1 57 57 GLU N N 15 120.202 0.000 . . . . . A 57 GLU N . 25434 1 606 . 1 1 58 58 ARG H H 1 7.636 0.000 . . . . . A 58 ARG H . 25434 1 607 . 1 1 58 58 ARG HA H 1 4.131 0.000 . . . . . A 58 ARG HA . 25434 1 608 . 1 1 58 58 ARG HB2 H 1 1.181 0.000 . . . . . A 58 ARG HB2 . 25434 1 609 . 1 1 58 58 ARG HB3 H 1 1.802 0.000 . . . . . A 58 ARG HB3 . 25434 1 610 . 1 1 58 58 ARG HG2 H 1 1.691 0.000 . . . . . A 58 ARG HG2 . 25434 1 611 . 1 1 58 58 ARG HG3 H 1 1.619 0.000 . . . . . A 58 ARG HG3 . 25434 1 612 . 1 1 58 58 ARG HD2 H 1 3.078 0.000 . . . . . A 58 ARG QD . 25434 1 613 . 1 1 58 58 ARG HD3 H 1 3.078 0.000 . . . . . A 58 ARG QD . 25434 1 614 . 1 1 58 58 ARG HE H 1 7.217 0.000 . . . . . A 58 ARG HE . 25434 1 615 . 1 1 58 58 ARG CA C 13 56.442 0.000 . . . . . A 58 ARG CA . 25434 1 616 . 1 1 58 58 ARG CB C 13 31.887 0.000 . . . . . A 58 ARG CB . 25434 1 617 . 1 1 58 58 ARG CG C 13 28.196 0.000 . . . . . A 58 ARG CG . 25434 1 618 . 1 1 58 58 ARG CD C 13 43.676 0.000 . . . . . A 58 ARG CD . 25434 1 619 . 1 1 58 58 ARG N N 15 116.912 0.000 . . . . . A 58 ARG N . 25434 1 620 . 1 1 58 58 ARG NE N 15 84.310 0.000 . . . . . A 58 ARG NE . 25434 1 621 . 1 1 59 59 ARG H H 1 7.878 0.000 . . . . . A 59 ARG H . 25434 1 622 . 1 1 59 59 ARG HA H 1 3.237 0.000 . . . . . A 59 ARG HA . 25434 1 623 . 1 1 59 59 ARG HB2 H 1 2.239 0.000 . . . . . A 59 ARG HB2 . 25434 1 624 . 1 1 59 59 ARG HB3 H 1 2.132 0.000 . . . . . A 59 ARG HB3 . 25434 1 625 . 1 1 59 59 ARG HG2 H 1 1.668 0.000 . . . . . A 59 ARG QG . 25434 1 626 . 1 1 59 59 ARG HG3 H 1 1.668 0.000 . . . . . A 59 ARG QG . 25434 1 627 . 1 1 59 59 ARG HD2 H 1 3.357 0.000 . . . . . A 59 ARG QD . 25434 1 628 . 1 1 59 59 ARG HD3 H 1 3.357 0.000 . . . . . A 59 ARG QD . 25434 1 629 . 1 1 59 59 ARG HE H 1 7.291 0.000 . . . . . A 59 ARG HE . 25434 1 630 . 1 1 59 59 ARG HH22 H 1 10.188 0.000 . . . . . A 59 ARG HH22 . 25434 1 631 . 1 1 59 59 ARG CA C 13 56.732 0.000 . . . . . A 59 ARG CA . 25434 1 632 . 1 1 59 59 ARG CB C 13 26.634 0.000 . . . . . A 59 ARG CB . 25434 1 633 . 1 1 59 59 ARG CG C 13 27.918 0.000 . . . . . A 59 ARG CG . 25434 1 634 . 1 1 59 59 ARG CD C 13 44.209 0.000 . . . . . A 59 ARG CD . 25434 1 635 . 1 1 59 59 ARG N N 15 116.563 0.000 . . . . . A 59 ARG N . 25434 1 636 . 1 1 59 59 ARG NE N 15 85.031 0.000 . . . . . A 59 ARG NE . 25434 1 637 . 1 1 59 59 ARG NH2 N 15 73.200 0.000 . . . . . A 59 ARG NH2 . 25434 1 638 . 1 1 60 60 THR H H 1 6.591 0.000 . . . . . A 60 THR H . 25434 1 639 . 1 1 60 60 THR HA H 1 4.516 0.000 . . . . . A 60 THR HA . 25434 1 640 . 1 1 60 60 THR HB H 1 4.032 0.000 . . . . . A 60 THR HB . 25434 1 641 . 1 1 60 60 THR HG21 H 1 0.836 0.000 . . . . . A 60 THR QG2 . 25434 1 642 . 1 1 60 60 THR HG22 H 1 0.836 0.000 . . . . . A 60 THR QG2 . 25434 1 643 . 1 1 60 60 THR HG23 H 1 0.836 0.000 . . . . . A 60 THR QG2 . 25434 1 644 . 1 1 60 60 THR CA C 13 60.050 0.000 . . . . . A 60 THR CA . 25434 1 645 . 1 1 60 60 THR CB C 13 69.758 0.000 . . . . . A 60 THR CB . 25434 1 646 . 1 1 60 60 THR CG2 C 13 19.335 0.000 . . . . . A 60 THR CG2 . 25434 1 647 . 1 1 60 60 THR N N 15 109.170 0.000 . . . . . A 60 THR N . 25434 1 648 . 1 1 61 61 TYR H H 1 7.474 0.000 . . . . . A 61 TYR H . 25434 1 649 . 1 1 61 61 TYR HA H 1 5.075 0.000 . . . . . A 61 TYR HA . 25434 1 650 . 1 1 61 61 TYR HB2 H 1 2.628 0.000 . . . . . A 61 TYR QB . 25434 1 651 . 1 1 61 61 TYR HB3 H 1 2.628 0.000 . . . . . A 61 TYR QB . 25434 1 652 . 1 1 61 61 TYR HD1 H 1 6.411 0.000 . . . . . A 61 TYR QD . 25434 1 653 . 1 1 61 61 TYR HD2 H 1 6.411 0.000 . . . . . A 61 TYR QD . 25434 1 654 . 1 1 61 61 TYR HE1 H 1 5.794 0.000 . . . . . A 61 TYR QE . 25434 1 655 . 1 1 61 61 TYR HE2 H 1 5.794 0.000 . . . . . A 61 TYR QE . 25434 1 656 . 1 1 61 61 TYR CA C 13 57.393 0.000 . . . . . A 61 TYR CA . 25434 1 657 . 1 1 61 61 TYR CB C 13 40.381 0.000 . . . . . A 61 TYR CB . 25434 1 658 . 1 1 61 61 TYR CD1 C 13 132.677 0.000 . . . . . A 61 TYR CD1 . 25434 1 659 . 1 1 61 61 TYR CD2 C 13 132.677 0.000 . . . . . A 61 TYR CD2 . 25434 1 660 . 1 1 61 61 TYR CE1 C 13 119.116 0.000 . . . . . A 61 TYR CE1 . 25434 1 661 . 1 1 61 61 TYR CE2 C 13 119.116 0.000 . . . . . A 61 TYR CE2 . 25434 1 662 . 1 1 61 61 TYR N N 15 120.491 0.000 . . . . . A 61 TYR N . 25434 1 663 . 1 1 62 62 VAL H H 1 9.176 0.000 . . . . . A 62 VAL H . 25434 1 664 . 1 1 62 62 VAL HA H 1 4.644 0.000 . . . . . A 62 VAL HA . 25434 1 665 . 1 1 62 62 VAL HB H 1 1.509 0.000 . . . . . A 62 VAL HB . 25434 1 666 . 1 1 62 62 VAL HG11 H 1 1.031 0.000 . . . . . A 62 VAL QG1 . 25434 1 667 . 1 1 62 62 VAL HG12 H 1 1.031 0.000 . . . . . A 62 VAL QG1 . 25434 1 668 . 1 1 62 62 VAL HG13 H 1 1.031 0.000 . . . . . A 62 VAL QG1 . 25434 1 669 . 1 1 62 62 VAL HG21 H 1 0.738 0.000 . . . . . A 62 VAL QG2 . 25434 1 670 . 1 1 62 62 VAL HG22 H 1 0.738 0.000 . . . . . A 62 VAL QG2 . 25434 1 671 . 1 1 62 62 VAL HG23 H 1 0.738 0.000 . . . . . A 62 VAL QG2 . 25434 1 672 . 1 1 62 62 VAL CA C 13 58.610 0.000 . . . . . A 62 VAL CA . 25434 1 673 . 1 1 62 62 VAL CB C 13 34.418 0.000 . . . . . A 62 VAL CB . 25434 1 674 . 1 1 62 62 VAL CG1 C 13 21.361 0.000 . . . . . A 62 VAL CG1 . 25434 1 675 . 1 1 62 62 VAL CG2 C 13 21.082 0.000 . . . . . A 62 VAL CG2 . 25434 1 676 . 1 1 62 62 VAL N N 15 123.115 0.000 . . . . . A 62 VAL N . 25434 1 677 . 1 1 63 63 PRO HA H 1 4.764 0.000 . . . . . A 63 PRO HA . 25434 1 678 . 1 1 63 63 PRO HB2 H 1 2.447 0.000 . . . . . A 63 PRO HB2 . 25434 1 679 . 1 1 63 63 PRO HB3 H 1 2.056 0.000 . . . . . A 63 PRO HB3 . 25434 1 680 . 1 1 63 63 PRO HG2 H 1 2.292 0.000 . . . . . A 63 PRO HG2 . 25434 1 681 . 1 1 63 63 PRO HG3 H 1 1.986 0.000 . . . . . A 63 PRO HG3 . 25434 1 682 . 1 1 63 63 PRO HD2 H 1 3.797 0.000 . . . . . A 63 PRO HD2 . 25434 1 683 . 1 1 63 63 PRO HD3 H 1 3.943 0.000 . . . . . A 63 PRO HD3 . 25434 1 684 . 1 1 63 63 PRO CA C 13 63.641 0.000 . . . . . A 63 PRO CA . 25434 1 685 . 1 1 63 63 PRO CB C 13 32.558 0.000 . . . . . A 63 PRO CB . 25434 1 686 . 1 1 63 63 PRO CG C 13 28.244 0.000 . . . . . A 63 PRO CG . 25434 1 687 . 1 1 63 63 PRO CD C 13 51.131 0.000 . . . . . A 63 PRO CD . 25434 1 688 . 1 1 64 64 ALA H H 1 8.708 0.000 . . . . . A 64 ALA H . 25434 1 689 . 1 1 64 64 ALA HA H 1 4.645 0.000 . . . . . A 64 ALA HA . 25434 1 690 . 1 1 64 64 ALA HB1 H 1 1.292 0.000 . . . . . A 64 ALA QB . 25434 1 691 . 1 1 64 64 ALA HB2 H 1 1.292 0.000 . . . . . A 64 ALA QB . 25434 1 692 . 1 1 64 64 ALA HB3 H 1 1.292 0.000 . . . . . A 64 ALA QB . 25434 1 693 . 1 1 64 64 ALA CA C 13 52.126 0.000 . . . . . A 64 ALA CA . 25434 1 694 . 1 1 64 64 ALA CB C 13 19.752 0.000 . . . . . A 64 ALA CB . 25434 1 695 . 1 1 64 64 ALA N N 15 126.032 0.000 . . . . . A 64 ALA N . 25434 1 696 . 1 1 65 65 LEU H H 1 8.469 0.000 . . . . . A 65 LEU H . 25434 1 697 . 1 1 65 65 LEU HA H 1 4.491 0.000 . . . . . A 65 LEU HA . 25434 1 698 . 1 1 65 65 LEU HB2 H 1 1.766 0.000 . . . . . A 65 LEU HB2 . 25434 1 699 . 1 1 65 65 LEU HB3 H 1 1.850 0.000 . . . . . A 65 LEU HB3 . 25434 1 700 . 1 1 65 65 LEU HG H 1 1.782 0.000 . . . . . A 65 LEU HG . 25434 1 701 . 1 1 65 65 LEU HD11 H 1 1.060 0.000 . . . . . A 65 LEU QD1 . 25434 1 702 . 1 1 65 65 LEU HD12 H 1 1.060 0.000 . . . . . A 65 LEU QD1 . 25434 1 703 . 1 1 65 65 LEU HD13 H 1 1.060 0.000 . . . . . A 65 LEU QD1 . 25434 1 704 . 1 1 65 65 LEU HD21 H 1 1.038 0.000 . . . . . A 65 LEU QD2 . 25434 1 705 . 1 1 65 65 LEU HD22 H 1 1.038 0.000 . . . . . A 65 LEU QD2 . 25434 1 706 . 1 1 65 65 LEU HD23 H 1 1.038 0.000 . . . . . A 65 LEU QD2 . 25434 1 707 . 1 1 65 65 LEU CA C 13 55.656 0.000 . . . . . A 65 LEU CA . 25434 1 708 . 1 1 65 65 LEU CB C 13 42.638 0.000 . . . . . A 65 LEU CB . 25434 1 709 . 1 1 65 65 LEU CG C 13 27.408 0.000 . . . . . A 65 LEU CG . 25434 1 710 . 1 1 65 65 LEU CD1 C 13 25.238 0.000 . . . . . A 65 LEU CD1 . 25434 1 711 . 1 1 65 65 LEU CD2 C 13 23.763 0.000 . . . . . A 65 LEU CD2 . 25434 1 712 . 1 1 65 65 LEU N N 15 120.884 0.000 . . . . . A 65 LEU N . 25434 1 713 . 1 1 66 66 GLU H H 1 8.328 0.000 . . . . . A 66 GLU H . 25434 1 714 . 1 1 66 66 GLU HA H 1 4.546 0.000 . . . . . A 66 GLU HA . 25434 1 715 . 1 1 66 66 GLU HB2 H 1 2.090 0.000 . . . . . A 66 GLU HB2 . 25434 1 716 . 1 1 66 66 GLU HB3 H 1 2.168 0.000 . . . . . A 66 GLU HB3 . 25434 1 717 . 1 1 66 66 GLU CA C 13 55.780 0.000 . . . . . A 66 GLU CA . 25434 1 718 . 1 1 66 66 GLU CB C 13 33.027 0.000 . . . . . A 66 GLU CB . 25434 1 719 . 1 1 66 66 GLU N N 15 115.912 0.000 . . . . . A 66 GLU N . 25434 1 720 . 1 1 67 67 GLN H H 1 8.478 0.000 . . . . . A 67 GLN H . 25434 1 721 . 1 1 67 67 GLN HA H 1 4.482 0.000 . . . . . A 67 GLN HA . 25434 1 722 . 1 1 67 67 GLN HB2 H 1 2.262 0.000 . . . . . A 67 GLN HB2 . 25434 1 723 . 1 1 67 67 GLN HB3 H 1 2.059 0.000 . . . . . A 67 GLN HB3 . 25434 1 724 . 1 1 67 67 GLN HG2 H 1 2.399 0.000 . . . . . A 67 GLN QG . 25434 1 725 . 1 1 67 67 GLN HG3 H 1 2.399 0.000 . . . . . A 67 GLN QG . 25434 1 726 . 1 1 67 67 GLN CA C 13 55.771 0.000 . . . . . A 67 GLN CA . 25434 1 727 . 1 1 67 67 GLN CB C 13 29.740 0.000 . . . . . A 67 GLN CB . 25434 1 728 . 1 1 67 67 GLN CG C 13 33.904 0.000 . . . . . A 67 GLN CG . 25434 1 729 . 1 1 67 67 GLN N N 15 120.380 0.000 . . . . . A 67 GLN N . 25434 1 730 . 1 1 68 68 SER H H 1 8.370 0.000 . . . . . A 68 SER H . 25434 1 731 . 1 1 68 68 SER HA H 1 4.575 0.000 . . . . . A 68 SER HA . 25434 1 732 . 1 1 68 68 SER HB2 H 1 3.976 0.000 . . . . . A 68 SER HB2 . 25434 1 733 . 1 1 68 68 SER HB3 H 1 4.042 0.000 . . . . . A 68 SER HB3 . 25434 1 734 . 1 1 68 68 SER CA C 13 58.309 0.000 . . . . . A 68 SER CA . 25434 1 735 . 1 1 68 68 SER CB C 13 64.119 0.000 . . . . . A 68 SER CB . 25434 1 736 . 1 1 68 68 SER N N 15 116.287 0.000 . . . . . A 68 SER N . 25434 1 737 . 1 1 69 69 ALA H H 1 8.533 0.000 . . . . . A 69 ALA H . 25434 1 738 . 1 1 69 69 ALA HA H 1 4.443 0.000 . . . . . A 69 ALA HA . 25434 1 739 . 1 1 69 69 ALA HB1 H 1 1.510 0.000 . . . . . A 69 ALA QB . 25434 1 740 . 1 1 69 69 ALA HB2 H 1 1.510 0.000 . . . . . A 69 ALA QB . 25434 1 741 . 1 1 69 69 ALA HB3 H 1 1.510 0.000 . . . . . A 69 ALA QB . 25434 1 742 . 1 1 69 69 ALA CA C 13 52.982 0.000 . . . . . A 69 ALA CA . 25434 1 743 . 1 1 69 69 ALA CB C 13 19.365 0.000 . . . . . A 69 ALA CB . 25434 1 744 . 1 1 69 69 ALA N N 15 125.968 0.000 . . . . . A 69 ALA N . 25434 1 745 . 1 1 70 70 ASP H H 1 8.300 0.000 . . . . . A 70 ASP H . 25434 1 746 . 1 1 70 70 ASP HA H 1 4.682 0.000 . . . . . A 70 ASP HA . 25434 1 747 . 1 1 70 70 ASP HB2 H 1 2.793 0.000 . . . . . A 70 ASP QB . 25434 1 748 . 1 1 70 70 ASP HB3 H 1 2.793 0.000 . . . . . A 70 ASP QB . 25434 1 749 . 1 1 70 70 ASP CA C 13 54.469 0.000 . . . . . A 70 ASP CA . 25434 1 750 . 1 1 70 70 ASP CB C 13 41.379 0.000 . . . . . A 70 ASP CB . 25434 1 751 . 1 1 70 70 ASP N N 15 118.262 0.000 . . . . . A 70 ASP N . 25434 1 752 . 1 1 71 71 GLY H H 1 8.291 0.000 . . . . . A 71 GLY H . 25434 1 753 . 1 1 71 71 GLY HA2 H 1 4.016 0.000 . . . . . A 71 GLY QA . 25434 1 754 . 1 1 71 71 GLY HA3 H 1 4.016 0.000 . . . . . A 71 GLY QA . 25434 1 755 . 1 1 71 71 GLY CA C 13 45.822 0.000 . . . . . A 71 GLY CA . 25434 1 756 . 1 1 71 71 GLY N N 15 108.495 0.000 . . . . . A 71 GLY N . 25434 1 757 . 1 1 72 72 HIS H H 1 8.354 0.000 . . . . . A 72 HIS H . 25434 1 758 . 1 1 72 72 HIS HA H 1 4.767 0.000 . . . . . A 72 HIS HA . 25434 1 759 . 1 1 72 72 HIS HB2 H 1 3.353 0.000 . . . . . A 72 HIS HB2 . 25434 1 760 . 1 1 72 72 HIS HB3 H 1 3.278 0.000 . . . . . A 72 HIS HB3 . 25434 1 761 . 1 1 72 72 HIS HD2 H 1 7.280 0.000 . . . . . A 72 HIS HD2 . 25434 1 762 . 1 1 72 72 HIS CA C 13 55.846 0.000 . . . . . A 72 HIS CA . 25434 1 763 . 1 1 72 72 HIS CB C 13 29.363 0.000 . . . . . A 72 HIS CB . 25434 1 764 . 1 1 72 72 HIS CD2 C 13 120.544 0.000 . . . . . A 72 HIS CD2 . 25434 1 765 . 1 1 72 72 HIS N N 15 118.240 0.000 . . . . . A 72 HIS N . 25434 1 766 . 1 1 73 73 LYS H H 1 8.457 0.000 . . . . . A 73 LYS H . 25434 1 767 . 1 1 73 73 LYS HA H 1 4.443 0.000 . . . . . A 73 LYS HA . 25434 1 768 . 1 1 73 73 LYS HB2 H 1 2.057 0.000 . . . . . A 73 LYS QB . 25434 1 769 . 1 1 73 73 LYS HB3 H 1 2.057 0.000 . . . . . A 73 LYS QB . 25434 1 770 . 1 1 73 73 LYS HG2 H 1 1.510 0.000 . . . . . A 73 LYS QG . 25434 1 771 . 1 1 73 73 LYS HG3 H 1 1.510 0.000 . . . . . A 73 LYS QG . 25434 1 772 . 1 1 73 73 LYS HD2 H 1 1.780 0.000 . . . . . A 73 LYS QD . 25434 1 773 . 1 1 73 73 LYS HD3 H 1 1.780 0.000 . . . . . A 73 LYS QD . 25434 1 774 . 1 1 73 73 LYS HE2 H 1 3.097 0.000 . . . . . A 73 LYS QE . 25434 1 775 . 1 1 73 73 LYS HE3 H 1 3.097 0.000 . . . . . A 73 LYS QE . 25434 1 776 . 1 1 73 73 LYS CA C 13 56.601 0.000 . . . . . A 73 LYS CA . 25434 1 777 . 1 1 73 73 LYS CB C 13 33.133 0.000 . . . . . A 73 LYS CB . 25434 1 778 . 1 1 73 73 LYS CG C 13 24.953 0.000 . . . . . A 73 LYS CG . 25434 1 779 . 1 1 73 73 LYS CD C 13 29.298 0.000 . . . . . A 73 LYS CD . 25434 1 780 . 1 1 73 73 LYS CE C 13 42.382 0.000 . . . . . A 73 LYS CE . 25434 1 781 . 1 1 73 73 LYS N N 15 121.591 0.000 . . . . . A 73 LYS N . 25434 1 782 . 1 1 74 74 GLU H H 1 8.669 0.000 . . . . . A 74 GLU H . 25434 1 783 . 1 1 74 74 GLU HA H 1 4.494 0.000 . . . . . A 74 GLU HA . 25434 1 784 . 1 1 74 74 GLU HB2 H 1 2.210 0.000 . . . . . A 74 GLU HB2 . 25434 1 785 . 1 1 74 74 GLU HB3 H 1 2.073 0.000 . . . . . A 74 GLU HB3 . 25434 1 786 . 1 1 74 74 GLU CA C 13 56.565 0.000 . . . . . A 74 GLU CA . 25434 1 787 . 1 1 74 74 GLU CB C 13 30.327 0.000 . . . . . A 74 GLU CB . 25434 1 788 . 1 1 74 74 GLU N N 15 122.169 0.000 . . . . . A 74 GLU N . 25434 1 789 . 1 1 75 75 THR H H 1 8.313 0.000 . . . . . A 75 THR H . 25434 1 790 . 1 1 75 75 THR HA H 1 4.463 0.000 . . . . . A 75 THR HA . 25434 1 791 . 1 1 75 75 THR HB H 1 4.348 0.000 . . . . . A 75 THR HB . 25434 1 792 . 1 1 75 75 THR HG21 H 1 1.300 0.000 . . . . . A 75 THR QG2 . 25434 1 793 . 1 1 75 75 THR HG22 H 1 1.300 0.000 . . . . . A 75 THR QG2 . 25434 1 794 . 1 1 75 75 THR HG23 H 1 1.300 0.000 . . . . . A 75 THR QG2 . 25434 1 795 . 1 1 75 75 THR CA C 13 61.998 0.000 . . . . . A 75 THR CA . 25434 1 796 . 1 1 75 75 THR CB C 13 69.901 0.000 . . . . . A 75 THR CB . 25434 1 797 . 1 1 75 75 THR CG2 C 13 21.776 0.000 . . . . . A 75 THR CG2 . 25434 1 798 . 1 1 75 75 THR N N 15 114.560 0.000 . . . . . A 75 THR N . 25434 1 799 . 1 1 76 76 GLY H H 1 8.493 0.000 . . . . . A 76 GLY H . 25434 1 800 . 1 1 76 76 GLY HA2 H 1 4.057 0.000 . . . . . A 76 GLY QA . 25434 1 801 . 1 1 76 76 GLY HA3 H 1 4.057 0.000 . . . . . A 76 GLY QA . 25434 1 802 . 1 1 76 76 GLY CA C 13 45.394 0.000 . . . . . A 76 GLY CA . 25434 1 803 . 1 1 76 76 GLY N N 15 110.986 0.000 . . . . . A 76 GLY N . 25434 1 804 . 1 1 77 77 ALA H H 1 8.025 0.000 . . . . . A 77 ALA H . 25434 1 805 . 1 1 77 77 ALA HA H 1 4.634 0.000 . . . . . A 77 ALA HA . 25434 1 806 . 1 1 77 77 ALA HB1 H 1 1.423 0.000 . . . . . A 77 ALA QB . 25434 1 807 . 1 1 77 77 ALA HB2 H 1 1.423 0.000 . . . . . A 77 ALA QB . 25434 1 808 . 1 1 77 77 ALA HB3 H 1 1.423 0.000 . . . . . A 77 ALA QB . 25434 1 809 . 1 1 77 77 ALA CA C 13 50.611 0.000 . . . . . A 77 ALA CA . 25434 1 810 . 1 1 77 77 ALA CB C 13 18.471 0.000 . . . . . A 77 ALA CB . 25434 1 811 . 1 1 77 77 ALA N N 15 123.316 0.000 . . . . . A 77 ALA N . 25434 1 812 . 1 1 78 78 PRO HA H 1 4.728 0.000 . . . . . A 78 PRO HA . 25434 1 813 . 1 1 78 78 PRO HG2 H 1 2.041 0.000 . . . . . A 78 PRO QG . 25434 1 814 . 1 1 78 78 PRO HG3 H 1 2.041 0.000 . . . . . A 78 PRO QG . 25434 1 815 . 1 1 78 78 PRO HD2 H 1 3.812 0.000 . . . . . A 78 PRO HD2 . 25434 1 816 . 1 1 78 78 PRO HD3 H 1 3.653 0.000 . . . . . A 78 PRO HD3 . 25434 1 817 . 1 1 78 78 PRO CA C 13 62.969 0.000 . . . . . A 78 PRO CA . 25434 1 818 . 1 1 78 78 PRO CG C 13 27.585 0.000 . . . . . A 78 PRO CG . 25434 1 819 . 1 1 78 78 PRO CD C 13 50.406 0.000 . . . . . A 78 PRO CD . 25434 1 820 . 1 1 79 79 SER H H 1 8.627 0.000 . . . . . A 79 SER H . 25434 1 821 . 1 1 79 79 SER HA H 1 4.543 0.000 . . . . . A 79 SER HA . 25434 1 822 . 1 1 79 79 SER HB2 H 1 3.891 0.000 . . . . . A 79 SER HB2 . 25434 1 823 . 1 1 79 79 SER HB3 H 1 3.915 0.000 . . . . . A 79 SER HB3 . 25434 1 824 . 1 1 79 79 SER CA C 13 58.548 0.000 . . . . . A 79 SER CA . 25434 1 825 . 1 1 79 79 SER CB C 13 63.972 0.000 . . . . . A 79 SER CB . 25434 1 826 . 1 1 79 79 SER N N 15 116.876 0.000 . . . . . A 79 SER N . 25434 1 827 . 1 1 80 80 LYS H H 1 8.359 0.000 . . . . . A 80 LYS H . 25434 1 828 . 1 1 80 80 LYS HA H 1 4.397 0.000 . . . . . A 80 LYS HA . 25434 1 829 . 1 1 80 80 LYS HB2 H 1 1.869 0.000 . . . . . A 80 LYS HB2 . 25434 1 830 . 1 1 80 80 LYS HB3 H 1 1.968 0.000 . . . . . A 80 LYS HB3 . 25434 1 831 . 1 1 80 80 LYS HG2 H 1 1.554 0.000 . . . . . A 80 LYS HG2 . 25434 1 832 . 1 1 80 80 LYS HG3 H 1 1.518 0.000 . . . . . A 80 LYS HG3 . 25434 1 833 . 1 1 80 80 LYS HD2 H 1 1.790 0.000 . . . . . A 80 LYS QD . 25434 1 834 . 1 1 80 80 LYS HD3 H 1 1.790 0.000 . . . . . A 80 LYS QD . 25434 1 835 . 1 1 80 80 LYS CA C 13 56.628 0.000 . . . . . A 80 LYS CA . 25434 1 836 . 1 1 80 80 LYS CB C 13 33.268 0.000 . . . . . A 80 LYS CB . 25434 1 837 . 1 1 80 80 LYS CG C 13 24.941 0.000 . . . . . A 80 LYS CG . 25434 1 838 . 1 1 80 80 LYS CD C 13 29.333 0.000 . . . . . A 80 LYS CD . 25434 1 839 . 1 1 80 80 LYS N N 15 122.282 0.000 . . . . . A 80 LYS N . 25434 1 840 . 1 1 81 81 GLU H H 1 8.521 0.000 . . . . . A 81 GLU H . 25434 1 841 . 1 1 81 81 GLU HA H 1 4.387 0.000 . . . . . A 81 GLU HA . 25434 1 842 . 1 1 81 81 GLU HB2 H 1 2.083 0.000 . . . . . A 81 GLU HB2 . 25434 1 843 . 1 1 81 81 GLU HB3 H 1 2.144 0.000 . . . . . A 81 GLU HB3 . 25434 1 844 . 1 1 81 81 GLU CA C 13 56.773 0.000 . . . . . A 81 GLU CA . 25434 1 845 . 1 1 81 81 GLU CB C 13 30.374 0.000 . . . . . A 81 GLU CB . 25434 1 846 . 1 1 81 81 GLU N N 15 121.390 0.000 . . . . . A 81 GLU N . 25434 1 847 . 1 1 82 82 GLY H H 1 8.491 0.000 . . . . . A 82 GLY H . 25434 1 848 . 1 1 82 82 GLY HA2 H 1 4.084 0.000 . . . . . A 82 GLY QA . 25434 1 849 . 1 1 82 82 GLY HA3 H 1 4.084 0.000 . . . . . A 82 GLY QA . 25434 1 850 . 1 1 82 82 GLY CA C 13 45.733 0.000 . . . . . A 82 GLY CA . 25434 1 851 . 1 1 82 82 GLY N N 15 109.657 0.000 . . . . . A 82 GLY N . 25434 1 852 . 1 1 83 83 LYS H H 1 8.237 0.000 . . . . . A 83 LYS H . 25434 1 853 . 1 1 83 83 LYS HA H 1 4.395 0.000 . . . . . A 83 LYS HA . 25434 1 854 . 1 1 83 83 LYS HB2 H 1 1.936 0.000 . . . . . A 83 LYS HB2 . 25434 1 855 . 1 1 83 83 LYS HG2 H 1 1.511 0.000 . . . . . A 83 LYS HG2 . 25434 1 856 . 1 1 83 83 LYS CA C 13 56.900 0.000 . . . . . A 83 LYS CA . 25434 1 857 . 1 1 83 83 LYS CB C 13 33.222 0.000 . . . . . A 83 LYS CB . 25434 1 858 . 1 1 83 83 LYS CG C 13 24.967 0.000 . . . . . A 83 LYS CG . 25434 1 859 . 1 1 83 83 LYS N N 15 120.424 0.000 . . . . . A 83 LYS N . 25434 1 860 . 1 1 84 84 GLU H H 1 8.571 0.000 . . . . . A 84 GLU H . 25434 1 861 . 1 1 84 84 GLU HA H 1 4.378 0.000 . . . . . A 84 GLU HA . 25434 1 862 . 1 1 84 84 GLU HB2 H 1 2.098 0.000 . . . . . A 84 GLU HB2 . 25434 1 863 . 1 1 84 84 GLU HB3 H 1 2.022 0.000 . . . . . A 84 GLU HB3 . 25434 1 864 . 1 1 84 84 GLU HG2 H 1 2.360 0.000 . . . . . A 84 GLU QG . 25434 1 865 . 1 1 84 84 GLU HG3 H 1 2.360 0.000 . . . . . A 84 GLU QG . 25434 1 866 . 1 1 84 84 GLU CA C 13 56.735 0.000 . . . . . A 84 GLU CA . 25434 1 867 . 1 1 84 84 GLU CB C 13 30.602 0.000 . . . . . A 84 GLU CB . 25434 1 868 . 1 1 84 84 GLU CG C 13 36.448 0.000 . . . . . A 84 GLU CG . 25434 1 869 . 1 1 84 84 GLU N N 15 120.758 0.000 . . . . . A 84 GLU N . 25434 1 870 . 1 1 85 85 LYS H H 1 8.558 0.000 . . . . . A 85 LYS H . 25434 1 871 . 1 1 85 85 LYS HA H 1 4.411 0.000 . . . . . A 85 LYS HA . 25434 1 872 . 1 1 85 85 LYS HB2 H 1 1.888 0.000 . . . . . A 85 LYS QB . 25434 1 873 . 1 1 85 85 LYS HB3 H 1 1.888 0.000 . . . . . A 85 LYS QB . 25434 1 874 . 1 1 85 85 LYS HG2 H 1 1.515 0.000 . . . . . A 85 LYS QG . 25434 1 875 . 1 1 85 85 LYS HG3 H 1 1.515 0.000 . . . . . A 85 LYS QG . 25434 1 876 . 1 1 85 85 LYS HD2 H 1 1.783 0.000 . . . . . A 85 LYS QD . 25434 1 877 . 1 1 85 85 LYS HD3 H 1 1.783 0.000 . . . . . A 85 LYS QD . 25434 1 878 . 1 1 85 85 LYS HE2 H 1 3.103 0.000 . . . . . A 85 LYS QE . 25434 1 879 . 1 1 85 85 LYS HE3 H 1 3.103 0.000 . . . . . A 85 LYS QE . 25434 1 880 . 1 1 85 85 LYS CA C 13 56.321 0.000 . . . . . A 85 LYS CA . 25434 1 881 . 1 1 85 85 LYS CB C 13 33.193 0.000 . . . . . A 85 LYS CB . 25434 1 882 . 1 1 85 85 LYS CG C 13 24.914 0.000 . . . . . A 85 LYS CG . 25434 1 883 . 1 1 85 85 LYS CD C 13 29.222 0.000 . . . . . A 85 LYS CD . 25434 1 884 . 1 1 85 85 LYS CE C 13 42.396 0.000 . . . . . A 85 LYS CE . 25434 1 885 . 1 1 85 85 LYS N N 15 122.155 0.000 . . . . . A 85 LYS N . 25434 1 886 . 1 1 86 86 LYS H H 1 8.397 0.000 . . . . . A 86 LYS H . 25434 1 887 . 1 1 86 86 LYS HA H 1 4.372 0.000 . . . . . A 86 LYS HA . 25434 1 888 . 1 1 86 86 LYS HB2 H 1 1.865 0.000 . . . . . A 86 LYS QB . 25434 1 889 . 1 1 86 86 LYS HB3 H 1 1.865 0.000 . . . . . A 86 LYS QB . 25434 1 890 . 1 1 86 86 LYS HG2 H 1 1.482 0.000 . . . . . A 86 LYS QG . 25434 1 891 . 1 1 86 86 LYS HG3 H 1 1.482 0.000 . . . . . A 86 LYS QG . 25434 1 892 . 1 1 86 86 LYS CA C 13 56.669 0.000 . . . . . A 86 LYS CA . 25434 1 893 . 1 1 86 86 LYS CB C 13 33.268 0.000 . . . . . A 86 LYS CB . 25434 1 894 . 1 1 86 86 LYS CG C 13 24.936 0.000 . . . . . A 86 LYS CG . 25434 1 895 . 1 1 86 86 LYS N N 15 122.185 0.000 . . . . . A 86 LYS N . 25434 1 896 . 1 1 87 87 GLU H H 1 8.175 0.000 . . . . . A 87 GLU H . 25434 1 897 . 1 1 87 87 GLU HA H 1 4.524 0.000 . . . . . A 87 GLU HA . 25434 1 898 . 1 1 87 87 GLU HB2 H 1 1.963 0.000 . . . . . A 87 GLU QB . 25434 1 899 . 1 1 87 87 GLU HB3 H 1 1.963 0.000 . . . . . A 87 GLU QB . 25434 1 900 . 1 1 87 87 GLU HG2 H 1 2.347 0.000 . . . . . A 87 GLU QG . 25434 1 901 . 1 1 87 87 GLU HG3 H 1 2.347 0.000 . . . . . A 87 GLU QG . 25434 1 902 . 1 1 87 87 GLU CA C 13 58.257 0.000 . . . . . A 87 GLU CA . 25434 1 903 . 1 1 87 87 GLU CB C 13 33.559 0.000 . . . . . A 87 GLU CB . 25434 1 904 . 1 1 87 87 GLU CG C 13 36.443 0.000 . . . . . A 87 GLU CG . 25434 1 905 . 1 1 87 87 GLU N N 15 124.443 0.000 . . . . . A 87 GLU N . 25434 1 906 . 1 1 89 89 HIS HA H 1 4.787 0.000 . . . . . A 89 HIS HA . 25434 1 907 . 1 1 89 89 HIS HB2 H 1 3.309 0.000 . . . . . A 89 HIS HB2 . 25434 1 908 . 1 1 89 89 HIS HB3 H 1 3.233 0.000 . . . . . A 89 HIS HB3 . 25434 1 909 . 1 1 89 89 HIS HD2 H 1 7.249 0.000 . . . . . A 89 HIS HD2 . 25434 1 910 . 1 1 89 89 HIS CA C 13 55.754 0.000 . . . . . A 89 HIS CA . 25434 1 911 . 1 1 89 89 HIS CB C 13 30.327 0.000 . . . . . A 89 HIS CB . 25434 1 912 . 1 1 89 89 HIS CD2 C 13 120.414 0.000 . . . . . A 89 HIS CD2 . 25434 1 913 . 1 1 90 90 LYS H H 1 8.335 0.000 . . . . . A 90 LYS H . 25434 1 914 . 1 1 90 90 LYS HA H 1 4.397 0.000 . . . . . A 90 LYS HA . 25434 1 915 . 1 1 90 90 LYS HB2 H 1 1.878 0.000 . . . . . A 90 LYS QB . 25434 1 916 . 1 1 90 90 LYS HB3 H 1 1.878 0.000 . . . . . A 90 LYS QB . 25434 1 917 . 1 1 90 90 LYS HG2 H 1 1.540 0.000 . . . . . A 90 LYS QG . 25434 1 918 . 1 1 90 90 LYS HG3 H 1 1.540 0.000 . . . . . A 90 LYS QG . 25434 1 919 . 1 1 90 90 LYS CA C 13 56.597 0.000 . . . . . A 90 LYS CA . 25434 1 920 . 1 1 90 90 LYS CB C 13 33.222 0.000 . . . . . A 90 LYS CB . 25434 1 921 . 1 1 90 90 LYS CG C 13 24.862 0.000 . . . . . A 90 LYS CG . 25434 1 922 . 1 1 90 90 LYS N N 15 122.178 0.000 . . . . . A 90 LYS N . 25434 1 923 . 1 1 91 91 THR H H 1 8.047 0.000 . . . . . A 91 THR H . 25434 1 924 . 1 1 91 91 THR HA H 1 4.453 0.000 . . . . . A 91 THR HA . 25434 1 925 . 1 1 91 91 THR HB H 1 4.365 0.000 . . . . . A 91 THR HB . 25434 1 926 . 1 1 91 91 THR HG21 H 1 1.322 0.000 . . . . . A 91 THR QG2 . 25434 1 927 . 1 1 91 91 THR HG22 H 1 1.322 0.000 . . . . . A 91 THR QG2 . 25434 1 928 . 1 1 91 91 THR HG23 H 1 1.322 0.000 . . . . . A 91 THR QG2 . 25434 1 929 . 1 1 91 91 THR CA C 13 61.956 0.000 . . . . . A 91 THR CA . 25434 1 930 . 1 1 91 91 THR CB C 13 69.916 0.000 . . . . . A 91 THR CB . 25434 1 931 . 1 1 91 91 THR CG2 C 13 21.889 0.000 . . . . . A 91 THR CG2 . 25434 1 932 . 1 1 91 91 THR N N 15 121.268 0.000 . . . . . A 91 THR N . 25434 1 933 . 1 1 92 92 LYS H H 1 8.020 0.000 . . . . . A 92 LYS H . 25434 1 934 . 1 1 92 92 LYS HA H 1 4.281 0.000 . . . . . A 92 LYS HA . 25434 1 935 . 1 1 92 92 LYS CA C 13 57.995 0.000 . . . . . A 92 LYS CA . 25434 1 936 . 1 1 92 92 LYS N N 15 127.869 0.000 . . . . . A 92 LYS N . 25434 1 stop_ save_