data_34068 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34068 _Entry.Title ; RBM5 OCRE domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-11-19 _Entry.Accession_date 2016-11-19 _Entry.Last_release_date 2016-12-01 _Entry.Original_release_date 2016-12-01 _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 _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 L. Warner L. R. . . 34068 2 A. Mourao A. . . . 34068 3 K. Soni K. . . . 34068 4 M. Sattler M. . . . 34068 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ocre . 34068 splicing . 34068 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34068 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 282 34068 '15N chemical shifts' 65 34068 '1H chemical shifts' 397 34068 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-12-05 . original BMRB . 34068 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 34067 'RBM5 OCRE domain in complex with polyproline SmN peptide' 34068 PDB 5MFY 'BMRB Entry Tracking System' 34068 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34068 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.7554/eLife.14707 _Citation.PubMed_ID 27894420 _Citation.Full_citation . _Citation.Title ; Structural basis for the recognition of spliceosomal SmN/B/B' proteins by the RBM5 OCRE domain in splicing regulation. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Elife _Citation.Journal_name_full . _Citation.Journal_volume 5 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2050-084X _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 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 A. Mourao A. . . . 34068 1 2 S. Bonnal S. . . . 34068 1 3 K. Soni K. . . . 34068 1 4 L. Warner L. . . . 34068 1 5 R. Bordonne R. . . . 34068 1 6 J. Valcarcel J. . . . 34068 1 7 M. Sattler M. . . . 34068 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34068 _Assembly.ID 1 _Assembly.Name 'RNA-binding protein 5' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34068 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34068 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMGTKYAVPDTSTYQYDES SGYYYDPTTGLYYDPNSQYY YNSLTQQYLYWDGEKETYVP AAES ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 64 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'UNP residues 451-511' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7436.785 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID OCRE na 34068 1 'Protein G15' na 34068 1 'Putative tumor suppressor LUCA15' na 34068 1 'RNA-binding motif protein 5' na 34068 1 'Renal carcinoma antigen NY-REN-9' na 34068 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 34068 1 2 . ALA . 34068 1 3 . MET . 34068 1 4 . GLY . 34068 1 5 . THR . 34068 1 6 . LYS . 34068 1 7 . TYR . 34068 1 8 . ALA . 34068 1 9 . VAL . 34068 1 10 . PRO . 34068 1 11 . ASP . 34068 1 12 . THR . 34068 1 13 . SER . 34068 1 14 . THR . 34068 1 15 . TYR . 34068 1 16 . GLN . 34068 1 17 . TYR . 34068 1 18 . ASP . 34068 1 19 . GLU . 34068 1 20 . SER . 34068 1 21 . SER . 34068 1 22 . GLY . 34068 1 23 . TYR . 34068 1 24 . TYR . 34068 1 25 . TYR . 34068 1 26 . ASP . 34068 1 27 . PRO . 34068 1 28 . THR . 34068 1 29 . THR . 34068 1 30 . GLY . 34068 1 31 . LEU . 34068 1 32 . TYR . 34068 1 33 . TYR . 34068 1 34 . ASP . 34068 1 35 . PRO . 34068 1 36 . ASN . 34068 1 37 . SER . 34068 1 38 . GLN . 34068 1 39 . TYR . 34068 1 40 . TYR . 34068 1 41 . TYR . 34068 1 42 . ASN . 34068 1 43 . SER . 34068 1 44 . LEU . 34068 1 45 . THR . 34068 1 46 . GLN . 34068 1 47 . GLN . 34068 1 48 . TYR . 34068 1 49 . LEU . 34068 1 50 . TYR . 34068 1 51 . TRP . 34068 1 52 . ASP . 34068 1 53 . GLY . 34068 1 54 . GLU . 34068 1 55 . LYS . 34068 1 56 . GLU . 34068 1 57 . THR . 34068 1 58 . TYR . 34068 1 59 . VAL . 34068 1 60 . PRO . 34068 1 61 . ALA . 34068 1 62 . ALA . 34068 1 63 . GLU . 34068 1 64 . SER . 34068 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 34068 1 . ALA 2 2 34068 1 . MET 3 3 34068 1 . GLY 4 4 34068 1 . THR 5 5 34068 1 . LYS 6 6 34068 1 . TYR 7 7 34068 1 . ALA 8 8 34068 1 . VAL 9 9 34068 1 . PRO 10 10 34068 1 . ASP 11 11 34068 1 . THR 12 12 34068 1 . SER 13 13 34068 1 . THR 14 14 34068 1 . TYR 15 15 34068 1 . GLN 16 16 34068 1 . TYR 17 17 34068 1 . ASP 18 18 34068 1 . GLU 19 19 34068 1 . SER 20 20 34068 1 . SER 21 21 34068 1 . GLY 22 22 34068 1 . TYR 23 23 34068 1 . TYR 24 24 34068 1 . TYR 25 25 34068 1 . ASP 26 26 34068 1 . PRO 27 27 34068 1 . THR 28 28 34068 1 . THR 29 29 34068 1 . GLY 30 30 34068 1 . LEU 31 31 34068 1 . TYR 32 32 34068 1 . TYR 33 33 34068 1 . ASP 34 34 34068 1 . PRO 35 35 34068 1 . ASN 36 36 34068 1 . SER 37 37 34068 1 . GLN 38 38 34068 1 . TYR 39 39 34068 1 . TYR 40 40 34068 1 . TYR 41 41 34068 1 . ASN 42 42 34068 1 . SER 43 43 34068 1 . LEU 44 44 34068 1 . THR 45 45 34068 1 . GLN 46 46 34068 1 . GLN 47 47 34068 1 . TYR 48 48 34068 1 . LEU 49 49 34068 1 . TYR 50 50 34068 1 . TRP 51 51 34068 1 . ASP 52 52 34068 1 . GLY 53 53 34068 1 . GLU 54 54 34068 1 . LYS 55 55 34068 1 . GLU 56 56 34068 1 . THR 57 57 34068 1 . TYR 58 58 34068 1 . VAL 59 59 34068 1 . PRO 60 60 34068 1 . ALA 61 61 34068 1 . ALA 62 62 34068 1 . GLU 63 63 34068 1 . SER 64 64 34068 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 34068 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'RBM5, H37, LUCA15' . 34068 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 34068 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34068 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34068 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-100% 13C; U-100% 15N] ocre5, 20 mM sodium phosphate, 50 mM sodium chloride, 10 % D2O, 90 % H2O, 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 D2O 'natural abundance' . . . . . . 10 . . % . . . . 34068 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 34068 1 3 ocre5 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 34068 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 34068 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34068 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 34068 _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' 70 . mM 34068 1 pH 6.5 . pH 34068 1 pressure 1 . atm 34068 1 temperature 298 . K 34068 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 34068 _Sample_condition_list.ID 2 _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' 70 . mM 34068 2 pH 6.5 . pD 34068 2 pressure 1 . atm 34068 2 temperature 298 . K 34068 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34068 _Software.ID 1 _Software.Name Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34068 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34068 1 'peak picking' 34068 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34068 _Software.ID 2 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 34068 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34068 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34068 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34068 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34068 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34068 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34068 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 34068 _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 NMR_spectrometer_1 Bruker AvanceIII . 600 . . . 34068 1 2 NMR_spectrometer_2 Bruker AvanceIII . 900 . . . 34068 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 34068 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34068 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34068 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34068 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34068 1 5 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34068 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34068 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34068 1 8 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34068 1 9 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34068 1 10 'HDCB Kay' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34068 1 11 'HECB Kay' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34068 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34068 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34068 1 14 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34068 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34068 _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 0.000 internal indirect 0.25144953 . . . . . 34068 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34068 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34068 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34068 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34068 1 2 '3D CBCA(CO)NH' . . . 34068 1 3 '3D HNCACB' . . . 34068 1 4 '2D 1H-13C HSQC' . . . 34068 1 5 '2D 1H-13C HSQC aromatic' . . . 34068 1 6 '3D H(CCO)NH' . . . 34068 1 7 '3D HNCO' . . . 34068 1 8 '3D HNCA' . . . 34068 1 9 '3D C(CO)NH' . . . 34068 1 10 'HDCB Kay' . . . 34068 1 11 'HECB Kay' . . . 34068 1 12 '3D 1H-13C NOESY' . . . 34068 1 13 '3D 1H-15N NOESY' . . . 34068 1 14 '3D 1H-13C NOESY' . . . 34068 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA3 H 1 3.769 0.000 . . . . . A 1 GLY HA3 . 34068 1 2 . 1 1 1 1 GLY CA C 13 43.288 0.000 . . . . . A 1 GLY CA . 34068 1 3 . 1 1 2 2 ALA HA H 1 4.309 0.000 . . . . . A 2 ALA HA . 34068 1 4 . 1 1 2 2 ALA HB1 H 1 1.344 0.000 . . . . . A 2 ALA HB1 . 34068 1 5 . 1 1 2 2 ALA HB2 H 1 1.344 0.000 . . . . . A 2 ALA HB2 . 34068 1 6 . 1 1 2 2 ALA HB3 H 1 1.344 0.000 . . . . . A 2 ALA HB3 . 34068 1 7 . 1 1 2 2 ALA C C 13 177.839 0.000 . . . . . A 2 ALA C . 34068 1 8 . 1 1 2 2 ALA CA C 13 52.598 0.050 . . . . . A 2 ALA CA . 34068 1 9 . 1 1 2 2 ALA CB C 13 19.348 0.038 . . . . . A 2 ALA CB . 34068 1 10 . 1 1 3 3 MET H H 1 8.514 0.002 . . . . . A 3 MET H . 34068 1 11 . 1 1 3 3 MET HA H 1 4.458 0.000 . . . . . A 3 MET HA . 34068 1 12 . 1 1 3 3 MET HB2 H 1 1.984 0.000 . . . . . A 3 MET HB2 . 34068 1 13 . 1 1 3 3 MET HB3 H 1 2.074 0.000 . . . . . A 3 MET HB3 . 34068 1 14 . 1 1 3 3 MET HG2 H 1 2.497 0.000 . . . . . A 3 MET HG2 . 34068 1 15 . 1 1 3 3 MET HG3 H 1 2.579 0.000 . . . . . A 3 MET HG3 . 34068 1 16 . 1 1 3 3 MET HE1 H 1 2.014 0.000 . . . . . A 3 MET HE1 . 34068 1 17 . 1 1 3 3 MET HE2 H 1 2.014 0.000 . . . . . A 3 MET HE2 . 34068 1 18 . 1 1 3 3 MET HE3 H 1 2.014 0.000 . . . . . A 3 MET HE3 . 34068 1 19 . 1 1 3 3 MET C C 13 176.687 0.000 . . . . . A 3 MET C . 34068 1 20 . 1 1 3 3 MET CA C 13 55.620 0.056 . . . . . A 3 MET CA . 34068 1 21 . 1 1 3 3 MET CB C 13 32.641 0.066 . . . . . A 3 MET CB . 34068 1 22 . 1 1 3 3 MET CG C 13 32.059 0.006 . . . . . A 3 MET CG . 34068 1 23 . 1 1 3 3 MET CE C 13 16.861 0.000 . . . . . A 3 MET CE . 34068 1 24 . 1 1 3 3 MET N N 15 119.734 0.012 . . . . . A 3 MET N . 34068 1 25 . 1 1 4 4 GLY H H 1 8.403 0.002 . . . . . A 4 GLY H . 34068 1 26 . 1 1 4 4 GLY HA3 H 1 3.963 0.000 . . . . . A 4 GLY HA3 . 34068 1 27 . 1 1 4 4 GLY C C 13 174.013 0.000 . . . . . A 4 GLY C . 34068 1 28 . 1 1 4 4 GLY CA C 13 45.327 0.014 . . . . . A 4 GLY CA . 34068 1 29 . 1 1 4 4 GLY N N 15 110.241 0.030 . . . . . A 4 GLY N . 34068 1 30 . 1 1 5 5 THR H H 1 8.003 0.001 . . . . . A 5 THR H . 34068 1 31 . 1 1 5 5 THR HA H 1 4.210 0.000 . . . . . A 5 THR HA . 34068 1 32 . 1 1 5 5 THR HB H 1 4.062 0.000 . . . . . A 5 THR HB . 34068 1 33 . 1 1 5 5 THR HG21 H 1 1.016 0.000 . . . . . A 5 THR HG21 . 34068 1 34 . 1 1 5 5 THR HG22 H 1 1.016 0.000 . . . . . A 5 THR HG22 . 34068 1 35 . 1 1 5 5 THR HG23 H 1 1.016 0.000 . . . . . A 5 THR HG23 . 34068 1 36 . 1 1 5 5 THR C C 13 173.868 0.000 . . . . . A 5 THR C . 34068 1 37 . 1 1 5 5 THR CA C 13 62.071 0.047 . . . . . A 5 THR CA . 34068 1 38 . 1 1 5 5 THR CB C 13 69.935 0.042 . . . . . A 5 THR CB . 34068 1 39 . 1 1 5 5 THR CG2 C 13 21.657 0.000 . . . . . A 5 THR CG2 . 34068 1 40 . 1 1 5 5 THR N N 15 114.560 0.031 . . . . . A 5 THR N . 34068 1 41 . 1 1 6 6 LYS H H 1 8.215 0.002 . . . . . A 6 LYS H . 34068 1 42 . 1 1 6 6 LYS HA H 1 4.383 0.000 . . . . . A 6 LYS HA . 34068 1 43 . 1 1 6 6 LYS HB2 H 1 1.617 0.000 . . . . . A 6 LYS HB2 . 34068 1 44 . 1 1 6 6 LYS HB3 H 1 1.688 0.000 . . . . . A 6 LYS HB3 . 34068 1 45 . 1 1 6 6 LYS HG2 H 1 1.212 0.000 . . . . . A 6 LYS HG2 . 34068 1 46 . 1 1 6 6 LYS HG3 H 1 1.273 0.000 . . . . . A 6 LYS HG3 . 34068 1 47 . 1 1 6 6 LYS HD3 H 1 1.583 0.000 . . . . . A 6 LYS HD3 . 34068 1 48 . 1 1 6 6 LYS HE3 H 1 2.897 0.000 . . . . . A 6 LYS HE3 . 34068 1 49 . 1 1 6 6 LYS C C 13 175.742 0.000 . . . . . A 6 LYS C . 34068 1 50 . 1 1 6 6 LYS CA C 13 56.149 0.042 . . . . . A 6 LYS CA . 34068 1 51 . 1 1 6 6 LYS CB C 13 33.348 0.020 . . . . . A 6 LYS CB . 34068 1 52 . 1 1 6 6 LYS CG C 13 24.633 0.016 . . . . . A 6 LYS CG . 34068 1 53 . 1 1 6 6 LYS CD C 13 28.970 0.000 . . . . . A 6 LYS CD . 34068 1 54 . 1 1 6 6 LYS CE C 13 42.142 0.000 . . . . . A 6 LYS CE . 34068 1 55 . 1 1 6 6 LYS N N 15 123.943 0.012 . . . . . A 6 LYS N . 34068 1 56 . 1 1 7 7 TYR H H 1 8.303 0.004 . . . . . A 7 TYR H . 34068 1 57 . 1 1 7 7 TYR HA H 1 4.616 0.000 . . . . . A 7 TYR HA . 34068 1 58 . 1 1 7 7 TYR HB2 H 1 2.850 0.000 . . . . . A 7 TYR HB2 . 34068 1 59 . 1 1 7 7 TYR HB3 H 1 3.259 0.000 . . . . . A 7 TYR HB3 . 34068 1 60 . 1 1 7 7 TYR HD1 H 1 7.238 0.000 . . . . . A 7 TYR HD1 . 34068 1 61 . 1 1 7 7 TYR HD2 H 1 7.238 0.000 . . . . . A 7 TYR HD2 . 34068 1 62 . 1 1 7 7 TYR HE1 H 1 6.805 0.000 . . . . . A 7 TYR HE1 . 34068 1 63 . 1 1 7 7 TYR HE2 H 1 6.805 0.000 . . . . . A 7 TYR HE2 . 34068 1 64 . 1 1 7 7 TYR C C 13 175.092 0.000 . . . . . A 7 TYR C . 34068 1 65 . 1 1 7 7 TYR CA C 13 57.505 0.067 . . . . . A 7 TYR CA . 34068 1 66 . 1 1 7 7 TYR CB C 13 40.336 0.110 . . . . . A 7 TYR CB . 34068 1 67 . 1 1 7 7 TYR CD1 C 13 133.501 0.000 . . . . . A 7 TYR CD1 . 34068 1 68 . 1 1 7 7 TYR CD2 C 13 133.501 0.000 . . . . . A 7 TYR CD2 . 34068 1 69 . 1 1 7 7 TYR CE1 C 13 118.022 0.000 . . . . . A 7 TYR CE1 . 34068 1 70 . 1 1 7 7 TYR CE2 C 13 118.022 0.000 . . . . . A 7 TYR CE2 . 34068 1 71 . 1 1 7 7 TYR N N 15 121.579 0.023 . . . . . A 7 TYR N . 34068 1 72 . 1 1 8 8 ALA H H 1 8.254 0.003 . . . . . A 8 ALA H . 34068 1 73 . 1 1 8 8 ALA HA H 1 4.314 0.000 . . . . . A 8 ALA HA . 34068 1 74 . 1 1 8 8 ALA HB1 H 1 1.294 0.000 . . . . . A 8 ALA HB1 . 34068 1 75 . 1 1 8 8 ALA HB2 H 1 1.294 0.000 . . . . . A 8 ALA HB2 . 34068 1 76 . 1 1 8 8 ALA HB3 H 1 1.294 0.000 . . . . . A 8 ALA HB3 . 34068 1 77 . 1 1 8 8 ALA C C 13 176.356 0.000 . . . . . A 8 ALA C . 34068 1 78 . 1 1 8 8 ALA CA C 13 51.564 0.074 . . . . . A 8 ALA CA . 34068 1 79 . 1 1 8 8 ALA CB C 13 19.620 0.035 . . . . . A 8 ALA CB . 34068 1 80 . 1 1 8 8 ALA N N 15 124.718 0.011 . . . . . A 8 ALA N . 34068 1 81 . 1 1 9 9 VAL H H 1 7.913 0.002 . . . . . A 9 VAL H . 34068 1 82 . 1 1 9 9 VAL HA H 1 3.769 0.000 . . . . . A 9 VAL HA . 34068 1 83 . 1 1 9 9 VAL HB H 1 1.862 0.000 . . . . . A 9 VAL HB . 34068 1 84 . 1 1 9 9 VAL HG11 H 1 0.879 0.000 . . . . . A 9 VAL HG11 . 34068 1 85 . 1 1 9 9 VAL HG12 H 1 0.879 0.000 . . . . . A 9 VAL HG12 . 34068 1 86 . 1 1 9 9 VAL HG13 H 1 0.879 0.000 . . . . . A 9 VAL HG13 . 34068 1 87 . 1 1 9 9 VAL HG21 H 1 0.978 0.000 . . . . . A 9 VAL HG21 . 34068 1 88 . 1 1 9 9 VAL HG22 H 1 0.978 0.000 . . . . . A 9 VAL HG22 . 34068 1 89 . 1 1 9 9 VAL HG23 H 1 0.978 0.000 . . . . . A 9 VAL HG23 . 34068 1 90 . 1 1 9 9 VAL CA C 13 59.931 0.004 . . . . . A 9 VAL CA . 34068 1 91 . 1 1 9 9 VAL CB C 13 32.218 0.024 . . . . . A 9 VAL CB . 34068 1 92 . 1 1 9 9 VAL CG1 C 13 20.939 0.000 . . . . . A 9 VAL CG1 . 34068 1 93 . 1 1 9 9 VAL CG2 C 13 20.956 0.000 . . . . . A 9 VAL CG2 . 34068 1 94 . 1 1 9 9 VAL N N 15 119.922 0.009 . . . . . A 9 VAL N . 34068 1 95 . 1 1 10 10 PRO HA H 1 3.885 0.000 . . . . . A 10 PRO HA . 34068 1 96 . 1 1 10 10 PRO HB2 H 1 1.307 0.000 . . . . . A 10 PRO HB2 . 34068 1 97 . 1 1 10 10 PRO HB3 H 1 1.827 0.000 . . . . . A 10 PRO HB3 . 34068 1 98 . 1 1 10 10 PRO HG2 H 1 1.027 0.000 . . . . . A 10 PRO HG2 . 34068 1 99 . 1 1 10 10 PRO HG3 H 1 1.123 0.000 . . . . . A 10 PRO HG3 . 34068 1 100 . 1 1 10 10 PRO HD2 H 1 2.133 0.000 . . . . . A 10 PRO HD2 . 34068 1 101 . 1 1 10 10 PRO HD3 H 1 2.478 0.000 . . . . . A 10 PRO HD3 . 34068 1 102 . 1 1 10 10 PRO C C 13 175.890 0.000 . . . . . A 10 PRO C . 34068 1 103 . 1 1 10 10 PRO CA C 13 62.985 0.061 . . . . . A 10 PRO CA . 34068 1 104 . 1 1 10 10 PRO CB C 13 32.252 0.050 . . . . . A 10 PRO CB . 34068 1 105 . 1 1 10 10 PRO CG C 13 26.477 0.002 . . . . . A 10 PRO CG . 34068 1 106 . 1 1 10 10 PRO CD C 13 49.891 0.009 . . . . . A 10 PRO CD . 34068 1 107 . 1 1 11 11 ASP H H 1 8.100 0.003 . . . . . A 11 ASP H . 34068 1 108 . 1 1 11 11 ASP HA H 1 4.550 0.000 . . . . . A 11 ASP HA . 34068 1 109 . 1 1 11 11 ASP HB2 H 1 2.662 0.000 . . . . . A 11 ASP HB2 . 34068 1 110 . 1 1 11 11 ASP HB3 H 1 2.429 0.000 . . . . . A 11 ASP HB3 . 34068 1 111 . 1 1 11 11 ASP C C 13 176.793 0.000 . . . . . A 11 ASP C . 34068 1 112 . 1 1 11 11 ASP CA C 13 52.519 0.025 . . . . . A 11 ASP CA . 34068 1 113 . 1 1 11 11 ASP CB C 13 40.636 0.020 . . . . . A 11 ASP CB . 34068 1 114 . 1 1 11 11 ASP N N 15 120.581 0.016 . . . . . A 11 ASP N . 34068 1 115 . 1 1 12 12 THR H H 1 8.100 0.003 . . . . . A 12 THR H . 34068 1 116 . 1 1 12 12 THR HA H 1 2.398 0.000 . . . . . A 12 THR HA . 34068 1 117 . 1 1 12 12 THR HB H 1 3.602 0.000 . . . . . A 12 THR HB . 34068 1 118 . 1 1 12 12 THR HG21 H 1 0.589 0.000 . . . . . A 12 THR HG21 . 34068 1 119 . 1 1 12 12 THR HG22 H 1 0.589 0.000 . . . . . A 12 THR HG22 . 34068 1 120 . 1 1 12 12 THR HG23 H 1 0.589 0.000 . . . . . A 12 THR HG23 . 34068 1 121 . 1 1 12 12 THR C C 13 176.321 0.000 . . . . . A 12 THR C . 34068 1 122 . 1 1 12 12 THR CA C 13 62.373 0.060 . . . . . A 12 THR CA . 34068 1 123 . 1 1 12 12 THR CB C 13 68.170 0.051 . . . . . A 12 THR CB . 34068 1 124 . 1 1 12 12 THR CG2 C 13 20.602 0.000 . . . . . A 12 THR CG2 . 34068 1 125 . 1 1 12 12 THR N N 15 115.163 0.030 . . . . . A 12 THR N . 34068 1 126 . 1 1 13 13 SER H H 1 8.196 0.001 . . . . . A 13 SER H . 34068 1 127 . 1 1 13 13 SER HA H 1 4.140 0.000 . . . . . A 13 SER HA . 34068 1 128 . 1 1 13 13 SER HB2 H 1 3.826 0.000 . . . . . A 13 SER HB2 . 34068 1 129 . 1 1 13 13 SER HB3 H 1 3.868 0.000 . . . . . A 13 SER HB3 . 34068 1 130 . 1 1 13 13 SER C C 13 175.470 0.000 . . . . . A 13 SER C . 34068 1 131 . 1 1 13 13 SER CA C 13 61.243 0.016 . . . . . A 13 SER CA . 34068 1 132 . 1 1 13 13 SER CB C 13 62.794 0.077 . . . . . A 13 SER CB . 34068 1 133 . 1 1 13 13 SER N N 15 118.800 0.028 . . . . . A 13 SER N . 34068 1 134 . 1 1 14 14 THR H H 1 7.364 0.002 . . . . . A 14 THR H . 34068 1 135 . 1 1 14 14 THR HA H 1 4.402 0.000 . . . . . A 14 THR HA . 34068 1 136 . 1 1 14 14 THR HB H 1 4.460 0.000 . . . . . A 14 THR HB . 34068 1 137 . 1 1 14 14 THR HG21 H 1 1.108 0.000 . . . . . A 14 THR HG21 . 34068 1 138 . 1 1 14 14 THR HG22 H 1 1.108 0.000 . . . . . A 14 THR HG22 . 34068 1 139 . 1 1 14 14 THR HG23 H 1 1.108 0.000 . . . . . A 14 THR HG23 . 34068 1 140 . 1 1 14 14 THR C C 13 174.965 0.000 . . . . . A 14 THR C . 34068 1 141 . 1 1 14 14 THR CA C 13 61.837 0.040 . . . . . A 14 THR CA . 34068 1 142 . 1 1 14 14 THR CB C 13 69.854 0.029 . . . . . A 14 THR CB . 34068 1 143 . 1 1 14 14 THR CG2 C 13 21.474 0.000 . . . . . A 14 THR CG2 . 34068 1 144 . 1 1 14 14 THR N N 15 110.320 0.017 . . . . . A 14 THR N . 34068 1 145 . 1 1 15 15 TYR H H 1 7.279 0.003 . . . . . A 15 TYR H . 34068 1 146 . 1 1 15 15 TYR HA H 1 5.011 0.000 . . . . . A 15 TYR HA . 34068 1 147 . 1 1 15 15 TYR HB2 H 1 3.266 0.000 . . . . . A 15 TYR HB2 . 34068 1 148 . 1 1 15 15 TYR HB3 H 1 3.205 0.000 . . . . . A 15 TYR HB3 . 34068 1 149 . 1 1 15 15 TYR HD1 H 1 6.813 0.000 . . . . . A 15 TYR HD1 . 34068 1 150 . 1 1 15 15 TYR HD2 H 1 6.813 0.000 . . . . . A 15 TYR HD2 . 34068 1 151 . 1 1 15 15 TYR HE1 H 1 6.217 0.000 . . . . . A 15 TYR HE1 . 34068 1 152 . 1 1 15 15 TYR HE2 H 1 6.217 0.000 . . . . . A 15 TYR HE2 . 34068 1 153 . 1 1 15 15 TYR C C 13 176.168 0.000 . . . . . A 15 TYR C . 34068 1 154 . 1 1 15 15 TYR CA C 13 55.017 0.065 . . . . . A 15 TYR CA . 34068 1 155 . 1 1 15 15 TYR CB C 13 37.558 0.021 . . . . . A 15 TYR CB . 34068 1 156 . 1 1 15 15 TYR CD1 C 13 130.520 0.000 . . . . . A 15 TYR CD1 . 34068 1 157 . 1 1 15 15 TYR CD2 C 13 130.520 0.000 . . . . . A 15 TYR CD2 . 34068 1 158 . 1 1 15 15 TYR CE1 C 13 118.587 0.000 . . . . . A 15 TYR CE1 . 34068 1 159 . 1 1 15 15 TYR CE2 C 13 118.587 0.000 . . . . . A 15 TYR CE2 . 34068 1 160 . 1 1 15 15 TYR N N 15 121.313 0.018 . . . . . A 15 TYR N . 34068 1 161 . 1 1 16 16 GLN H H 1 9.253 0.002 . . . . . A 16 GLN H . 34068 1 162 . 1 1 16 16 GLN HA H 1 4.894 0.000 . . . . . A 16 GLN HA . 34068 1 163 . 1 1 16 16 GLN HB2 H 1 2.228 0.000 . . . . . A 16 GLN HB2 . 34068 1 164 . 1 1 16 16 GLN HB3 H 1 2.264 0.000 . . . . . A 16 GLN HB3 . 34068 1 165 . 1 1 16 16 GLN HG3 H 1 2.560 0.000 . . . . . A 16 GLN HG3 . 34068 1 166 . 1 1 16 16 GLN HE21 H 1 6.895 0.000 . . . . . A 16 GLN HE21 . 34068 1 167 . 1 1 16 16 GLN HE22 H 1 7.621 0.000 . . . . . A 16 GLN HE22 . 34068 1 168 . 1 1 16 16 GLN C C 13 175.745 0.000 . . . . . A 16 GLN C . 34068 1 169 . 1 1 16 16 GLN CA C 13 54.421 0.043 . . . . . A 16 GLN CA . 34068 1 170 . 1 1 16 16 GLN CB C 13 31.057 0.028 . . . . . A 16 GLN CB . 34068 1 171 . 1 1 16 16 GLN CG C 13 33.544 0.000 . . . . . A 16 GLN CG . 34068 1 172 . 1 1 16 16 GLN N N 15 120.213 0.010 . . . . . A 16 GLN N . 34068 1 173 . 1 1 16 16 GLN NE2 N 15 111.751 0.001 . . . . . A 16 GLN NE2 . 34068 1 174 . 1 1 17 17 TYR H H 1 9.344 0.003 . . . . . A 17 TYR H . 34068 1 175 . 1 1 17 17 TYR HA H 1 3.937 0.000 . . . . . A 17 TYR HA . 34068 1 176 . 1 1 17 17 TYR HB2 H 1 2.726 0.000 . . . . . A 17 TYR HB2 . 34068 1 177 . 1 1 17 17 TYR HB3 H 1 2.798 0.000 . . . . . A 17 TYR HB3 . 34068 1 178 . 1 1 17 17 TYR HD1 H 1 6.196 0.000 . . . . . A 17 TYR HD1 . 34068 1 179 . 1 1 17 17 TYR HD2 H 1 6.196 0.000 . . . . . A 17 TYR HD2 . 34068 1 180 . 1 1 17 17 TYR HE1 H 1 6.492 0.000 . . . . . A 17 TYR HE1 . 34068 1 181 . 1 1 17 17 TYR HE2 H 1 6.492 0.000 . . . . . A 17 TYR HE2 . 34068 1 182 . 1 1 17 17 TYR C C 13 173.991 0.000 . . . . . A 17 TYR C . 34068 1 183 . 1 1 17 17 TYR CA C 13 59.406 0.066 . . . . . A 17 TYR CA . 34068 1 184 . 1 1 17 17 TYR CB C 13 38.642 0.032 . . . . . A 17 TYR CB . 34068 1 185 . 1 1 17 17 TYR CD1 C 13 132.458 0.000 . . . . . A 17 TYR CD1 . 34068 1 186 . 1 1 17 17 TYR CD2 C 13 132.458 0.000 . . . . . A 17 TYR CD2 . 34068 1 187 . 1 1 17 17 TYR CE1 C 13 117.720 0.000 . . . . . A 17 TYR CE1 . 34068 1 188 . 1 1 17 17 TYR CE2 C 13 117.720 0.000 . . . . . A 17 TYR CE2 . 34068 1 189 . 1 1 17 17 TYR N N 15 126.890 0.007 . . . . . A 17 TYR N . 34068 1 190 . 1 1 18 18 ASP H H 1 8.028 0.001 . . . . . A 18 ASP H . 34068 1 191 . 1 1 18 18 ASP HA H 1 4.713 0.000 . . . . . A 18 ASP HA . 34068 1 192 . 1 1 18 18 ASP HB2 H 1 2.945 0.000 . . . . . A 18 ASP HB2 . 34068 1 193 . 1 1 18 18 ASP HB3 H 1 2.389 0.000 . . . . . A 18 ASP HB3 . 34068 1 194 . 1 1 18 18 ASP C C 13 173.897 0.000 . . . . . A 18 ASP C . 34068 1 195 . 1 1 18 18 ASP CA C 13 52.356 0.039 . . . . . A 18 ASP CA . 34068 1 196 . 1 1 18 18 ASP CB C 13 42.050 0.015 . . . . . A 18 ASP CB . 34068 1 197 . 1 1 18 18 ASP N N 15 129.314 0.022 . . . . . A 18 ASP N . 34068 1 198 . 1 1 19 19 GLU H H 1 8.623 0.001 . . . . . A 19 GLU H . 34068 1 199 . 1 1 19 19 GLU HA H 1 3.614 0.000 . . . . . A 19 GLU HA . 34068 1 200 . 1 1 19 19 GLU HB3 H 1 1.994 0.000 . . . . . A 19 GLU HB3 . 34068 1 201 . 1 1 19 19 GLU HG3 H 1 2.311 0.000 . . . . . A 19 GLU HG3 . 34068 1 202 . 1 1 19 19 GLU C C 13 177.867 0.000 . . . . . A 19 GLU C . 34068 1 203 . 1 1 19 19 GLU CA C 13 58.710 0.045 . . . . . A 19 GLU CA . 34068 1 204 . 1 1 19 19 GLU CB C 13 29.465 0.006 . . . . . A 19 GLU CB . 34068 1 205 . 1 1 19 19 GLU CG C 13 35.980 0.000 . . . . . A 19 GLU CG . 34068 1 206 . 1 1 19 19 GLU N N 15 125.037 0.006 . . . . . A 19 GLU N . 34068 1 207 . 1 1 20 20 SER H H 1 8.086 0.001 . . . . . A 20 SER H . 34068 1 208 . 1 1 20 20 SER HA H 1 4.104 0.000 . . . . . A 20 SER HA . 34068 1 209 . 1 1 20 20 SER HB2 H 1 3.825 0.000 . . . . . A 20 SER HB2 . 34068 1 210 . 1 1 20 20 SER HB3 H 1 3.873 0.000 . . . . . A 20 SER HB3 . 34068 1 211 . 1 1 20 20 SER C C 13 174.940 0.000 . . . . . A 20 SER C . 34068 1 212 . 1 1 20 20 SER CA C 13 61.135 0.065 . . . . . A 20 SER CA . 34068 1 213 . 1 1 20 20 SER CB C 13 62.862 0.022 . . . . . A 20 SER CB . 34068 1 214 . 1 1 20 20 SER N N 15 112.889 0.023 . . . . . A 20 SER N . 34068 1 215 . 1 1 21 21 SER H H 1 7.336 0.002 . . . . . A 21 SER H . 34068 1 216 . 1 1 21 21 SER HA H 1 4.188 0.000 . . . . . A 21 SER HA . 34068 1 217 . 1 1 21 21 SER HB2 H 1 3.498 0.000 . . . . . A 21 SER HB2 . 34068 1 218 . 1 1 21 21 SER HB3 H 1 3.334 0.000 . . . . . A 21 SER HB3 . 34068 1 219 . 1 1 21 21 SER C C 13 175.539 0.000 . . . . . A 21 SER C . 34068 1 220 . 1 1 21 21 SER CA C 13 58.727 0.057 . . . . . A 21 SER CA . 34068 1 221 . 1 1 21 21 SER CB C 13 65.077 0.059 . . . . . A 21 SER CB . 34068 1 222 . 1 1 21 21 SER N N 15 113.466 0.027 . . . . . A 21 SER N . 34068 1 223 . 1 1 22 22 GLY H H 1 8.159 0.001 . . . . . A 22 GLY H . 34068 1 224 . 1 1 22 22 GLY HA2 H 1 3.962 0.000 . . . . . A 22 GLY HA2 . 34068 1 225 . 1 1 22 22 GLY HA3 H 1 3.629 0.000 . . . . . A 22 GLY HA3 . 34068 1 226 . 1 1 22 22 GLY C C 13 173.089 0.000 . . . . . A 22 GLY C . 34068 1 227 . 1 1 22 22 GLY CA C 13 45.316 0.046 . . . . . A 22 GLY CA . 34068 1 228 . 1 1 22 22 GLY N N 15 111.502 0.029 . . . . . A 22 GLY N . 34068 1 229 . 1 1 23 23 TYR H H 1 7.792 0.001 . . . . . A 23 TYR H . 34068 1 230 . 1 1 23 23 TYR HA H 1 5.284 0.000 . . . . . A 23 TYR HA . 34068 1 231 . 1 1 23 23 TYR HB2 H 1 3.059 0.000 . . . . . A 23 TYR HB2 . 34068 1 232 . 1 1 23 23 TYR HB3 H 1 3.541 0.000 . . . . . A 23 TYR HB3 . 34068 1 233 . 1 1 23 23 TYR HD1 H 1 6.898 0.000 . . . . . A 23 TYR HD1 . 34068 1 234 . 1 1 23 23 TYR HD2 H 1 6.898 0.000 . . . . . A 23 TYR HD2 . 34068 1 235 . 1 1 23 23 TYR HE1 H 1 6.549 0.000 . . . . . A 23 TYR HE1 . 34068 1 236 . 1 1 23 23 TYR HE2 H 1 6.549 0.000 . . . . . A 23 TYR HE2 . 34068 1 237 . 1 1 23 23 TYR C C 13 174.972 0.000 . . . . . A 23 TYR C . 34068 1 238 . 1 1 23 23 TYR CA C 13 54.658 0.057 . . . . . A 23 TYR CA . 34068 1 239 . 1 1 23 23 TYR CB C 13 40.331 0.054 . . . . . A 23 TYR CB . 34068 1 240 . 1 1 23 23 TYR CD1 C 13 131.313 0.000 . . . . . A 23 TYR CD1 . 34068 1 241 . 1 1 23 23 TYR CD2 C 13 131.313 0.000 . . . . . A 23 TYR CD2 . 34068 1 242 . 1 1 23 23 TYR CE1 C 13 117.900 0.000 . . . . . A 23 TYR CE1 . 34068 1 243 . 1 1 23 23 TYR CE2 C 13 117.900 0.000 . . . . . A 23 TYR CE2 . 34068 1 244 . 1 1 23 23 TYR N N 15 117.989 0.025 . . . . . A 23 TYR N . 34068 1 245 . 1 1 24 24 TYR H H 1 9.156 0.002 . . . . . A 24 TYR H . 34068 1 246 . 1 1 24 24 TYR HA H 1 5.198 0.000 . . . . . A 24 TYR HA . 34068 1 247 . 1 1 24 24 TYR HB2 H 1 3.150 0.000 . . . . . A 24 TYR HB2 . 34068 1 248 . 1 1 24 24 TYR HB3 H 1 3.369 0.000 . . . . . A 24 TYR HB3 . 34068 1 249 . 1 1 24 24 TYR HD1 H 1 7.262 0.000 . . . . . A 24 TYR HD1 . 34068 1 250 . 1 1 24 24 TYR HD2 H 1 7.262 0.000 . . . . . A 24 TYR HD2 . 34068 1 251 . 1 1 24 24 TYR HE1 H 1 6.999 0.000 . . . . . A 24 TYR HE1 . 34068 1 252 . 1 1 24 24 TYR HE2 H 1 6.999 0.000 . . . . . A 24 TYR HE2 . 34068 1 253 . 1 1 24 24 TYR C C 13 175.161 0.000 . . . . . A 24 TYR C . 34068 1 254 . 1 1 24 24 TYR CA C 13 58.047 0.032 . . . . . A 24 TYR CA . 34068 1 255 . 1 1 24 24 TYR CB C 13 41.108 0.022 . . . . . A 24 TYR CB . 34068 1 256 . 1 1 24 24 TYR CD1 C 13 132.932 0.000 . . . . . A 24 TYR CD1 . 34068 1 257 . 1 1 24 24 TYR CD2 C 13 132.932 0.000 . . . . . A 24 TYR CD2 . 34068 1 258 . 1 1 24 24 TYR CE1 C 13 118.701 0.000 . . . . . A 24 TYR CE1 . 34068 1 259 . 1 1 24 24 TYR CE2 C 13 118.701 0.000 . . . . . A 24 TYR CE2 . 34068 1 260 . 1 1 24 24 TYR N N 15 116.735 0.016 . . . . . A 24 TYR N . 34068 1 261 . 1 1 25 25 TYR H H 1 9.549 0.002 . . . . . A 25 TYR H . 34068 1 262 . 1 1 25 25 TYR HA H 1 4.601 0.000 . . . . . A 25 TYR HA . 34068 1 263 . 1 1 25 25 TYR HB3 H 1 2.770 0.000 . . . . . A 25 TYR HB3 . 34068 1 264 . 1 1 25 25 TYR HD1 H 1 6.096 0.000 . . . . . A 25 TYR HD1 . 34068 1 265 . 1 1 25 25 TYR HD2 H 1 6.096 0.000 . . . . . A 25 TYR HD2 . 34068 1 266 . 1 1 25 25 TYR HE1 H 1 6.392 0.000 . . . . . A 25 TYR HE1 . 34068 1 267 . 1 1 25 25 TYR HE2 H 1 6.392 0.000 . . . . . A 25 TYR HE2 . 34068 1 268 . 1 1 25 25 TYR C C 13 173.010 0.000 . . . . . A 25 TYR C . 34068 1 269 . 1 1 25 25 TYR CA C 13 57.061 0.093 . . . . . A 25 TYR CA . 34068 1 270 . 1 1 25 25 TYR CB C 13 41.487 0.060 . . . . . A 25 TYR CB . 34068 1 271 . 1 1 25 25 TYR CD1 C 13 132.709 0.000 . . . . . A 25 TYR CD1 . 34068 1 272 . 1 1 25 25 TYR CD2 C 13 132.709 0.000 . . . . . A 25 TYR CD2 . 34068 1 273 . 1 1 25 25 TYR CE1 C 13 117.362 0.000 . . . . . A 25 TYR CE1 . 34068 1 274 . 1 1 25 25 TYR CE2 C 13 117.362 0.000 . . . . . A 25 TYR CE2 . 34068 1 275 . 1 1 25 25 TYR N N 15 123.246 0.004 . . . . . A 25 TYR N . 34068 1 276 . 1 1 26 26 ASP H H 1 7.773 0.002 . . . . . A 26 ASP H . 34068 1 277 . 1 1 26 26 ASP HA H 1 4.626 0.000 . . . . . A 26 ASP HA . 34068 1 278 . 1 1 26 26 ASP HB2 H 1 1.083 0.000 . . . . . A 26 ASP HB2 . 34068 1 279 . 1 1 26 26 ASP HB3 H 1 2.498 0.000 . . . . . A 26 ASP HB3 . 34068 1 280 . 1 1 26 26 ASP CA C 13 48.975 0.029 . . . . . A 26 ASP CA . 34068 1 281 . 1 1 26 26 ASP CB C 13 41.603 0.055 . . . . . A 26 ASP CB . 34068 1 282 . 1 1 26 26 ASP N N 15 126.480 0.012 . . . . . A 26 ASP N . 34068 1 283 . 1 1 27 27 PRO HA H 1 3.913 0.000 . . . . . A 27 PRO HA . 34068 1 284 . 1 1 27 27 PRO HB2 H 1 2.387 0.000 . . . . . A 27 PRO HB2 . 34068 1 285 . 1 1 27 27 PRO HB3 H 1 1.987 0.000 . . . . . A 27 PRO HB3 . 34068 1 286 . 1 1 27 27 PRO HG2 H 1 1.996 0.000 . . . . . A 27 PRO HG2 . 34068 1 287 . 1 1 27 27 PRO HG3 H 1 2.064 0.000 . . . . . A 27 PRO HG3 . 34068 1 288 . 1 1 27 27 PRO HD3 H 1 4.022 0.000 . . . . . A 27 PRO HD3 . 34068 1 289 . 1 1 27 27 PRO C C 13 178.178 0.000 . . . . . A 27 PRO C . 34068 1 290 . 1 1 27 27 PRO CA C 13 63.642 0.032 . . . . . A 27 PRO CA . 34068 1 291 . 1 1 27 27 PRO CB C 13 32.294 0.064 . . . . . A 27 PRO CB . 34068 1 292 . 1 1 27 27 PRO CG C 13 27.061 0.003 . . . . . A 27 PRO CG . 34068 1 293 . 1 1 27 27 PRO CD C 13 51.063 0.000 . . . . . A 27 PRO CD . 34068 1 294 . 1 1 28 28 THR H H 1 7.994 0.002 . . . . . A 28 THR H . 34068 1 295 . 1 1 28 28 THR HA H 1 4.055 0.000 . . . . . A 28 THR HA . 34068 1 296 . 1 1 28 28 THR HB H 1 4.246 0.000 . . . . . A 28 THR HB . 34068 1 297 . 1 1 28 28 THR HG21 H 1 1.222 0.000 . . . . . A 28 THR HG21 . 34068 1 298 . 1 1 28 28 THR HG22 H 1 1.222 0.000 . . . . . A 28 THR HG22 . 34068 1 299 . 1 1 28 28 THR HG23 H 1 1.222 0.000 . . . . . A 28 THR HG23 . 34068 1 300 . 1 1 28 28 THR C C 13 175.715 0.000 . . . . . A 28 THR C . 34068 1 301 . 1 1 28 28 THR CA C 13 65.012 0.086 . . . . . A 28 THR CA . 34068 1 302 . 1 1 28 28 THR CB C 13 68.471 0.050 . . . . . A 28 THR CB . 34068 1 303 . 1 1 28 28 THR CG2 C 13 21.978 0.000 . . . . . A 28 THR CG2 . 34068 1 304 . 1 1 28 28 THR N N 15 111.359 0.020 . . . . . A 28 THR N . 34068 1 305 . 1 1 29 29 THR H H 1 6.612 0.002 . . . . . A 29 THR H . 34068 1 306 . 1 1 29 29 THR HA H 1 4.249 0.000 . . . . . A 29 THR HA . 34068 1 307 . 1 1 29 29 THR HB H 1 3.791 0.000 . . . . . A 29 THR HB . 34068 1 308 . 1 1 29 29 THR HG21 H 1 1.008 0.000 . . . . . A 29 THR HG21 . 34068 1 309 . 1 1 29 29 THR HG22 H 1 1.008 0.000 . . . . . A 29 THR HG22 . 34068 1 310 . 1 1 29 29 THR HG23 H 1 1.008 0.000 . . . . . A 29 THR HG23 . 34068 1 311 . 1 1 29 29 THR C C 13 176.236 0.000 . . . . . A 29 THR C . 34068 1 312 . 1 1 29 29 THR CA C 13 61.710 0.026 . . . . . A 29 THR CA . 34068 1 313 . 1 1 29 29 THR CB C 13 71.193 0.010 . . . . . A 29 THR CB . 34068 1 314 . 1 1 29 29 THR CG2 C 13 21.013 0.000 . . . . . A 29 THR CG2 . 34068 1 315 . 1 1 29 29 THR N N 15 108.376 0.015 . . . . . A 29 THR N . 34068 1 316 . 1 1 30 30 GLY H H 1 8.328 0.001 . . . . . A 30 GLY H . 34068 1 317 . 1 1 30 30 GLY HA2 H 1 4.028 0.000 . . . . . A 30 GLY HA2 . 34068 1 318 . 1 1 30 30 GLY HA3 H 1 3.530 0.000 . . . . . A 30 GLY HA3 . 34068 1 319 . 1 1 30 30 GLY C C 13 173.250 0.000 . . . . . A 30 GLY C . 34068 1 320 . 1 1 30 30 GLY CA C 13 45.224 0.048 . . . . . A 30 GLY CA . 34068 1 321 . 1 1 30 30 GLY N N 15 111.450 0.029 . . . . . A 30 GLY N . 34068 1 322 . 1 1 31 31 LEU H H 1 7.417 0.001 . . . . . A 31 LEU H . 34068 1 323 . 1 1 31 31 LEU HA H 1 4.501 0.000 . . . . . A 31 LEU HA . 34068 1 324 . 1 1 31 31 LEU HB2 H 1 1.670 0.000 . . . . . A 31 LEU HB2 . 34068 1 325 . 1 1 31 31 LEU HB3 H 1 1.358 0.000 . . . . . A 31 LEU HB3 . 34068 1 326 . 1 1 31 31 LEU HG H 1 1.134 0.000 . . . . . A 31 LEU HG . 34068 1 327 . 1 1 31 31 LEU HD11 H 1 0.576 0.000 . . . . . A 31 LEU HD11 . 34068 1 328 . 1 1 31 31 LEU HD12 H 1 0.576 0.000 . . . . . A 31 LEU HD12 . 34068 1 329 . 1 1 31 31 LEU HD13 H 1 0.576 0.000 . . . . . A 31 LEU HD13 . 34068 1 330 . 1 1 31 31 LEU HD21 H 1 -0.110 0.000 . . . . . A 31 LEU HD21 . 34068 1 331 . 1 1 31 31 LEU HD22 H 1 -0.110 0.000 . . . . . A 31 LEU HD22 . 34068 1 332 . 1 1 31 31 LEU HD23 H 1 -0.110 0.000 . . . . . A 31 LEU HD23 . 34068 1 333 . 1 1 31 31 LEU C C 13 175.078 0.000 . . . . . A 31 LEU C . 34068 1 334 . 1 1 31 31 LEU CA C 13 54.016 0.041 . . . . . A 31 LEU CA . 34068 1 335 . 1 1 31 31 LEU CB C 13 44.090 0.015 . . . . . A 31 LEU CB . 34068 1 336 . 1 1 31 31 LEU CG C 13 26.705 0.000 . . . . . A 31 LEU CG . 34068 1 337 . 1 1 31 31 LEU CD1 C 13 22.829 0.000 . . . . . A 31 LEU CD1 . 34068 1 338 . 1 1 31 31 LEU CD2 C 13 23.603 0.000 . . . . . A 31 LEU CD2 . 34068 1 339 . 1 1 31 31 LEU N N 15 119.283 0.005 . . . . . A 31 LEU N . 34068 1 340 . 1 1 32 32 TYR H H 1 8.542 0.001 . . . . . A 32 TYR H . 34068 1 341 . 1 1 32 32 TYR HA H 1 5.391 0.000 . . . . . A 32 TYR HA . 34068 1 342 . 1 1 32 32 TYR HB2 H 1 3.004 0.000 . . . . . A 32 TYR HB2 . 34068 1 343 . 1 1 32 32 TYR HB3 H 1 3.118 0.000 . . . . . A 32 TYR HB3 . 34068 1 344 . 1 1 32 32 TYR HD1 H 1 7.306 0.000 . . . . . A 32 TYR HD1 . 34068 1 345 . 1 1 32 32 TYR HD2 H 1 7.306 0.000 . . . . . A 32 TYR HD2 . 34068 1 346 . 1 1 32 32 TYR HE1 H 1 6.847 0.000 . . . . . A 32 TYR HE1 . 34068 1 347 . 1 1 32 32 TYR HE2 H 1 6.847 0.000 . . . . . A 32 TYR HE2 . 34068 1 348 . 1 1 32 32 TYR C C 13 175.561 0.000 . . . . . A 32 TYR C . 34068 1 349 . 1 1 32 32 TYR CA C 13 57.192 0.070 . . . . . A 32 TYR CA . 34068 1 350 . 1 1 32 32 TYR CB C 13 40.804 0.041 . . . . . A 32 TYR CB . 34068 1 351 . 1 1 32 32 TYR CD1 C 13 133.341 0.000 . . . . . A 32 TYR CD1 . 34068 1 352 . 1 1 32 32 TYR CD2 C 13 133.341 0.000 . . . . . A 32 TYR CD2 . 34068 1 353 . 1 1 32 32 TYR CE1 C 13 118.310 0.000 . . . . . A 32 TYR CE1 . 34068 1 354 . 1 1 32 32 TYR CE2 C 13 118.310 0.000 . . . . . A 32 TYR CE2 . 34068 1 355 . 1 1 32 32 TYR N N 15 116.433 0.015 . . . . . A 32 TYR N . 34068 1 356 . 1 1 33 33 TYR H H 1 9.671 0.001 . . . . . A 33 TYR H . 34068 1 357 . 1 1 33 33 TYR HA H 1 4.791 0.000 . . . . . A 33 TYR HA . 34068 1 358 . 1 1 33 33 TYR HB2 H 1 2.494 0.000 . . . . . A 33 TYR HB2 . 34068 1 359 . 1 1 33 33 TYR HB3 H 1 2.642 0.000 . . . . . A 33 TYR HB3 . 34068 1 360 . 1 1 33 33 TYR HD1 H 1 5.989 0.000 . . . . . A 33 TYR HD1 . 34068 1 361 . 1 1 33 33 TYR HD2 H 1 5.989 0.000 . . . . . A 33 TYR HD2 . 34068 1 362 . 1 1 33 33 TYR HE1 H 1 6.377 0.000 . . . . . A 33 TYR HE1 . 34068 1 363 . 1 1 33 33 TYR HE2 H 1 6.377 0.000 . . . . . A 33 TYR HE2 . 34068 1 364 . 1 1 33 33 TYR C C 13 173.161 0.000 . . . . . A 33 TYR C . 34068 1 365 . 1 1 33 33 TYR CA C 13 57.097 0.068 . . . . . A 33 TYR CA . 34068 1 366 . 1 1 33 33 TYR CB C 13 42.208 0.090 . . . . . A 33 TYR CB . 34068 1 367 . 1 1 33 33 TYR CD1 C 13 132.619 0.000 . . . . . A 33 TYR CD1 . 34068 1 368 . 1 1 33 33 TYR CD2 C 13 132.619 0.000 . . . . . A 33 TYR CD2 . 34068 1 369 . 1 1 33 33 TYR CE1 C 13 117.271 0.000 . . . . . A 33 TYR CE1 . 34068 1 370 . 1 1 33 33 TYR CE2 C 13 117.271 0.000 . . . . . A 33 TYR CE2 . 34068 1 371 . 1 1 33 33 TYR N N 15 121.683 0.010 . . . . . A 33 TYR N . 34068 1 372 . 1 1 34 34 ASP H H 1 7.880 0.002 . . . . . A 34 ASP H . 34068 1 373 . 1 1 34 34 ASP HA H 1 5.095 0.000 . . . . . A 34 ASP HA . 34068 1 374 . 1 1 34 34 ASP HB2 H 1 2.068 0.000 . . . . . A 34 ASP HB2 . 34068 1 375 . 1 1 34 34 ASP HB3 H 1 2.873 0.000 . . . . . A 34 ASP HB3 . 34068 1 376 . 1 1 34 34 ASP CA C 13 49.205 0.027 . . . . . A 34 ASP CA . 34068 1 377 . 1 1 34 34 ASP CB C 13 42.597 0.018 . . . . . A 34 ASP CB . 34068 1 378 . 1 1 34 34 ASP N N 15 127.301 0.008 . . . . . A 34 ASP N . 34068 1 379 . 1 1 35 35 PRO HA H 1 3.967 0.000 . . . . . A 35 PRO HA . 34068 1 380 . 1 1 35 35 PRO HB2 H 1 2.315 0.000 . . . . . A 35 PRO HB2 . 34068 1 381 . 1 1 35 35 PRO HB3 H 1 2.082 0.000 . . . . . A 35 PRO HB3 . 34068 1 382 . 1 1 35 35 PRO HG2 H 1 2.137 0.000 . . . . . A 35 PRO HG2 . 34068 1 383 . 1 1 35 35 PRO HG3 H 1 2.066 0.000 . . . . . A 35 PRO HG3 . 34068 1 384 . 1 1 35 35 PRO HD2 H 1 4.360 0.000 . . . . . A 35 PRO HD2 . 34068 1 385 . 1 1 35 35 PRO HD3 H 1 4.134 0.000 . . . . . A 35 PRO HD3 . 34068 1 386 . 1 1 35 35 PRO C C 13 177.196 0.000 . . . . . A 35 PRO C . 34068 1 387 . 1 1 35 35 PRO CA C 13 63.695 0.023 . . . . . A 35 PRO CA . 34068 1 388 . 1 1 35 35 PRO CB C 13 32.331 0.001 . . . . . A 35 PRO CB . 34068 1 389 . 1 1 35 35 PRO CG C 13 27.273 0.000 . . . . . A 35 PRO CG . 34068 1 390 . 1 1 35 35 PRO CD C 13 51.269 0.029 . . . . . A 35 PRO CD . 34068 1 391 . 1 1 36 36 ASN H H 1 8.131 0.001 . . . . . A 36 ASN H . 34068 1 392 . 1 1 36 36 ASN HA H 1 4.527 0.000 . . . . . A 36 ASN HA . 34068 1 393 . 1 1 36 36 ASN HB2 H 1 2.983 0.000 . . . . . A 36 ASN HB2 . 34068 1 394 . 1 1 36 36 ASN HB3 H 1 2.806 0.000 . . . . . A 36 ASN HB3 . 34068 1 395 . 1 1 36 36 ASN HD21 H 1 8.022 0.000 . . . . . A 36 ASN HD21 . 34068 1 396 . 1 1 36 36 ASN HD22 H 1 7.107 0.000 . . . . . A 36 ASN HD22 . 34068 1 397 . 1 1 36 36 ASN C C 13 175.431 0.000 . . . . . A 36 ASN C . 34068 1 398 . 1 1 36 36 ASN CA C 13 55.680 0.055 . . . . . A 36 ASN CA . 34068 1 399 . 1 1 36 36 ASN CB C 13 38.618 0.028 . . . . . A 36 ASN CB . 34068 1 400 . 1 1 36 36 ASN N N 15 116.023 0.008 . . . . . A 36 ASN N . 34068 1 401 . 1 1 36 36 ASN ND2 N 15 115.664 0.000 . . . . . A 36 ASN ND2 . 34068 1 402 . 1 1 37 37 SER H H 1 7.213 0.002 . . . . . A 37 SER H . 34068 1 403 . 1 1 37 37 SER HA H 1 4.161 0.000 . . . . . A 37 SER HA . 34068 1 404 . 1 1 37 37 SER HB2 H 1 3.570 0.000 . . . . . A 37 SER HB2 . 34068 1 405 . 1 1 37 37 SER HB3 H 1 3.457 0.000 . . . . . A 37 SER HB3 . 34068 1 406 . 1 1 37 37 SER C C 13 174.264 0.000 . . . . . A 37 SER C . 34068 1 407 . 1 1 37 37 SER CA C 13 58.648 0.069 . . . . . A 37 SER CA . 34068 1 408 . 1 1 37 37 SER CB C 13 64.406 0.059 . . . . . A 37 SER CB . 34068 1 409 . 1 1 37 37 SER N N 15 112.763 0.032 . . . . . A 37 SER N . 34068 1 410 . 1 1 38 38 GLN H H 1 8.062 0.002 . . . . . A 38 GLN H . 34068 1 411 . 1 1 38 38 GLN HA H 1 3.664 0.000 . . . . . A 38 GLN HA . 34068 1 412 . 1 1 38 38 GLN HB2 H 1 2.222 0.000 . . . . . A 38 GLN HB2 . 34068 1 413 . 1 1 38 38 GLN HB3 H 1 2.424 0.000 . . . . . A 38 GLN HB3 . 34068 1 414 . 1 1 38 38 GLN HG2 H 1 2.222 0.000 . . . . . A 38 GLN HG2 . 34068 1 415 . 1 1 38 38 GLN HG3 H 1 2.100 0.000 . . . . . A 38 GLN HG3 . 34068 1 416 . 1 1 38 38 GLN HE21 H 1 6.726 0.000 . . . . . A 38 GLN HE21 . 34068 1 417 . 1 1 38 38 GLN HE22 H 1 7.411 0.000 . . . . . A 38 GLN HE22 . 34068 1 418 . 1 1 38 38 GLN C C 13 174.061 0.000 . . . . . A 38 GLN C . 34068 1 419 . 1 1 38 38 GLN CA C 13 58.031 0.045 . . . . . A 38 GLN CA . 34068 1 420 . 1 1 38 38 GLN CB C 13 25.765 0.013 . . . . . A 38 GLN CB . 34068 1 421 . 1 1 38 38 GLN CG C 13 34.660 0.002 . . . . . A 38 GLN CG . 34068 1 422 . 1 1 38 38 GLN N N 15 114.537 0.015 . . . . . A 38 GLN N . 34068 1 423 . 1 1 38 38 GLN NE2 N 15 111.979 0.002 . . . . . A 38 GLN NE2 . 34068 1 424 . 1 1 39 39 TYR H H 1 7.505 0.002 . . . . . A 39 TYR H . 34068 1 425 . 1 1 39 39 TYR HA H 1 5.449 0.000 . . . . . A 39 TYR HA . 34068 1 426 . 1 1 39 39 TYR HB2 H 1 3.039 0.000 . . . . . A 39 TYR HB2 . 34068 1 427 . 1 1 39 39 TYR HB3 H 1 3.522 0.000 . . . . . A 39 TYR HB3 . 34068 1 428 . 1 1 39 39 TYR HD1 H 1 7.090 0.000 . . . . . A 39 TYR HD1 . 34068 1 429 . 1 1 39 39 TYR HD2 H 1 7.090 0.000 . . . . . A 39 TYR HD2 . 34068 1 430 . 1 1 39 39 TYR HE1 H 1 6.717 0.000 . . . . . A 39 TYR HE1 . 34068 1 431 . 1 1 39 39 TYR HE2 H 1 6.717 0.000 . . . . . A 39 TYR HE2 . 34068 1 432 . 1 1 39 39 TYR C C 13 175.784 0.000 . . . . . A 39 TYR C . 34068 1 433 . 1 1 39 39 TYR CA C 13 56.059 0.061 . . . . . A 39 TYR CA . 34068 1 434 . 1 1 39 39 TYR CB C 13 40.085 0.051 . . . . . A 39 TYR CB . 34068 1 435 . 1 1 39 39 TYR CD1 C 13 132.113 0.000 . . . . . A 39 TYR CD1 . 34068 1 436 . 1 1 39 39 TYR CD2 C 13 132.113 0.000 . . . . . A 39 TYR CD2 . 34068 1 437 . 1 1 39 39 TYR CE1 C 13 117.886 0.000 . . . . . A 39 TYR CE1 . 34068 1 438 . 1 1 39 39 TYR CE2 C 13 117.886 0.000 . . . . . A 39 TYR CE2 . 34068 1 439 . 1 1 39 39 TYR N N 15 115.490 0.017 . . . . . A 39 TYR N . 34068 1 440 . 1 1 40 40 TYR H H 1 9.637 0.001 . . . . . A 40 TYR H . 34068 1 441 . 1 1 40 40 TYR HA H 1 5.550 0.000 . . . . . A 40 TYR HA . 34068 1 442 . 1 1 40 40 TYR HB2 H 1 2.892 0.000 . . . . . A 40 TYR HB2 . 34068 1 443 . 1 1 40 40 TYR HB3 H 1 2.818 0.000 . . . . . A 40 TYR HB3 . 34068 1 444 . 1 1 40 40 TYR HD1 H 1 7.214 0.000 . . . . . A 40 TYR HD1 . 34068 1 445 . 1 1 40 40 TYR HD2 H 1 7.214 0.000 . . . . . A 40 TYR HD2 . 34068 1 446 . 1 1 40 40 TYR HE1 H 1 6.887 0.000 . . . . . A 40 TYR HE1 . 34068 1 447 . 1 1 40 40 TYR HE2 H 1 6.887 0.000 . . . . . A 40 TYR HE2 . 34068 1 448 . 1 1 40 40 TYR C C 13 175.454 0.000 . . . . . A 40 TYR C . 34068 1 449 . 1 1 40 40 TYR CA C 13 57.203 0.056 . . . . . A 40 TYR CA . 34068 1 450 . 1 1 40 40 TYR CB C 13 41.356 0.035 . . . . . A 40 TYR CB . 34068 1 451 . 1 1 40 40 TYR CD1 C 13 133.578 0.000 . . . . . A 40 TYR CD1 . 34068 1 452 . 1 1 40 40 TYR CD2 C 13 133.578 0.000 . . . . . A 40 TYR CD2 . 34068 1 453 . 1 1 40 40 TYR CE1 C 13 118.063 0.000 . . . . . A 40 TYR CE1 . 34068 1 454 . 1 1 40 40 TYR CE2 C 13 118.063 0.000 . . . . . A 40 TYR CE2 . 34068 1 455 . 1 1 40 40 TYR N N 15 118.929 0.035 . . . . . A 40 TYR N . 34068 1 456 . 1 1 41 41 TYR H H 1 9.460 0.002 . . . . . A 41 TYR H . 34068 1 457 . 1 1 41 41 TYR HA H 1 5.043 0.000 . . . . . A 41 TYR HA . 34068 1 458 . 1 1 41 41 TYR HB2 H 1 2.426 0.000 . . . . . A 41 TYR HB2 . 34068 1 459 . 1 1 41 41 TYR HB3 H 1 2.633 0.000 . . . . . A 41 TYR HB3 . 34068 1 460 . 1 1 41 41 TYR HD1 H 1 5.910 0.000 . . . . . A 41 TYR HD1 . 34068 1 461 . 1 1 41 41 TYR HD2 H 1 5.910 0.000 . . . . . A 41 TYR HD2 . 34068 1 462 . 1 1 41 41 TYR HE1 H 1 6.161 0.000 . . . . . A 41 TYR HE1 . 34068 1 463 . 1 1 41 41 TYR HE2 H 1 6.161 0.000 . . . . . A 41 TYR HE2 . 34068 1 464 . 1 1 41 41 TYR C C 13 173.499 0.000 . . . . . A 41 TYR C . 34068 1 465 . 1 1 41 41 TYR CA C 13 56.455 0.049 . . . . . A 41 TYR CA . 34068 1 466 . 1 1 41 41 TYR CB C 13 41.899 0.046 . . . . . A 41 TYR CB . 34068 1 467 . 1 1 41 41 TYR CD1 C 13 132.795 0.000 . . . . . A 41 TYR CD1 . 34068 1 468 . 1 1 41 41 TYR CD2 C 13 132.795 0.000 . . . . . A 41 TYR CD2 . 34068 1 469 . 1 1 41 41 TYR CE1 C 13 116.997 0.000 . . . . . A 41 TYR CE1 . 34068 1 470 . 1 1 41 41 TYR CE2 C 13 116.997 0.000 . . . . . A 41 TYR CE2 . 34068 1 471 . 1 1 41 41 TYR N N 15 121.892 0.011 . . . . . A 41 TYR N . 34068 1 472 . 1 1 42 42 ASN H H 1 8.069 0.001 . . . . . A 42 ASN H . 34068 1 473 . 1 1 42 42 ASN HA H 1 4.822 0.000 . . . . . A 42 ASN HA . 34068 1 474 . 1 1 42 42 ASN HB2 H 1 3.049 0.000 . . . . . A 42 ASN HB2 . 34068 1 475 . 1 1 42 42 ASN HB3 H 1 2.028 0.000 . . . . . A 42 ASN HB3 . 34068 1 476 . 1 1 42 42 ASN HD21 H 1 7.170 0.000 . . . . . A 42 ASN HD21 . 34068 1 477 . 1 1 42 42 ASN HD22 H 1 7.124 0.000 . . . . . A 42 ASN HD22 . 34068 1 478 . 1 1 42 42 ASN C C 13 175.081 0.000 . . . . . A 42 ASN C . 34068 1 479 . 1 1 42 42 ASN CA C 13 50.904 0.051 . . . . . A 42 ASN CA . 34068 1 480 . 1 1 42 42 ASN CB C 13 39.147 0.044 . . . . . A 42 ASN CB . 34068 1 481 . 1 1 42 42 ASN N N 15 125.486 0.008 . . . . . A 42 ASN N . 34068 1 482 . 1 1 42 42 ASN ND2 N 15 113.411 0.000 . . . . . A 42 ASN ND2 . 34068 1 483 . 1 1 43 43 SER H H 1 8.856 0.002 . . . . . A 43 SER H . 34068 1 484 . 1 1 43 43 SER HA H 1 3.694 0.000 . . . . . A 43 SER HA . 34068 1 485 . 1 1 43 43 SER HB2 H 1 3.810 0.000 . . . . . A 43 SER HB2 . 34068 1 486 . 1 1 43 43 SER HB3 H 1 4.070 0.000 . . . . . A 43 SER HB3 . 34068 1 487 . 1 1 43 43 SER C C 13 175.092 0.000 . . . . . A 43 SER C . 34068 1 488 . 1 1 43 43 SER CA C 13 60.176 0.035 . . . . . A 43 SER CA . 34068 1 489 . 1 1 43 43 SER CB C 13 63.371 0.078 . . . . . A 43 SER CB . 34068 1 490 . 1 1 43 43 SER N N 15 119.290 0.003 . . . . . A 43 SER N . 34068 1 491 . 1 1 44 44 LEU H H 1 8.132 0.001 . . . . . A 44 LEU H . 34068 1 492 . 1 1 44 44 LEU HA H 1 4.302 0.000 . . . . . A 44 LEU HA . 34068 1 493 . 1 1 44 44 LEU HB2 H 1 1.828 0.000 . . . . . A 44 LEU HB2 . 34068 1 494 . 1 1 44 44 LEU HB3 H 1 1.640 0.000 . . . . . A 44 LEU HB3 . 34068 1 495 . 1 1 44 44 LEU HG H 1 1.600 0.000 . . . . . A 44 LEU HG . 34068 1 496 . 1 1 44 44 LEU HD11 H 1 0.841 0.000 . . . . . A 44 LEU HD11 . 34068 1 497 . 1 1 44 44 LEU HD12 H 1 0.841 0.000 . . . . . A 44 LEU HD12 . 34068 1 498 . 1 1 44 44 LEU HD13 H 1 0.841 0.000 . . . . . A 44 LEU HD13 . 34068 1 499 . 1 1 44 44 LEU HD21 H 1 0.907 0.000 . . . . . A 44 LEU HD21 . 34068 1 500 . 1 1 44 44 LEU HD22 H 1 0.907 0.000 . . . . . A 44 LEU HD22 . 34068 1 501 . 1 1 44 44 LEU HD23 H 1 0.907 0.000 . . . . . A 44 LEU HD23 . 34068 1 502 . 1 1 44 44 LEU C C 13 178.804 0.000 . . . . . A 44 LEU C . 34068 1 503 . 1 1 44 44 LEU CA C 13 57.070 0.080 . . . . . A 44 LEU CA . 34068 1 504 . 1 1 44 44 LEU CB C 13 41.802 0.032 . . . . . A 44 LEU CB . 34068 1 505 . 1 1 44 44 LEU CG C 13 27.272 0.000 . . . . . A 44 LEU CG . 34068 1 506 . 1 1 44 44 LEU CD1 C 13 23.575 0.000 . . . . . A 44 LEU CD1 . 34068 1 507 . 1 1 44 44 LEU CD2 C 13 24.437 0.000 . . . . . A 44 LEU CD2 . 34068 1 508 . 1 1 44 44 LEU N N 15 122.394 0.022 . . . . . A 44 LEU N . 34068 1 509 . 1 1 45 45 THR H H 1 7.067 0.001 . . . . . A 45 THR H . 34068 1 510 . 1 1 45 45 THR HA H 1 4.166 0.000 . . . . . A 45 THR HA . 34068 1 511 . 1 1 45 45 THR HB H 1 4.198 0.000 . . . . . A 45 THR HB . 34068 1 512 . 1 1 45 45 THR HG21 H 1 0.977 0.000 . . . . . A 45 THR HG21 . 34068 1 513 . 1 1 45 45 THR HG22 H 1 0.977 0.000 . . . . . A 45 THR HG22 . 34068 1 514 . 1 1 45 45 THR HG23 H 1 0.977 0.000 . . . . . A 45 THR HG23 . 34068 1 515 . 1 1 45 45 THR C C 13 175.135 0.000 . . . . . A 45 THR C . 34068 1 516 . 1 1 45 45 THR CA C 13 61.075 0.065 . . . . . A 45 THR CA . 34068 1 517 . 1 1 45 45 THR CB C 13 69.318 0.025 . . . . . A 45 THR CB . 34068 1 518 . 1 1 45 45 THR CG2 C 13 21.707 0.000 . . . . . A 45 THR CG2 . 34068 1 519 . 1 1 45 45 THR N N 15 107.146 0.033 . . . . . A 45 THR N . 34068 1 520 . 1 1 46 46 GLN H H 1 7.884 0.001 . . . . . A 46 GLN H . 34068 1 521 . 1 1 46 46 GLN HA H 1 3.551 0.000 . . . . . A 46 GLN HA . 34068 1 522 . 1 1 46 46 GLN HB2 H 1 2.354 0.000 . . . . . A 46 GLN HB2 . 34068 1 523 . 1 1 46 46 GLN HB3 H 1 2.216 0.000 . . . . . A 46 GLN HB3 . 34068 1 524 . 1 1 46 46 GLN HG2 H 1 2.086 0.000 . . . . . A 46 GLN HG2 . 34068 1 525 . 1 1 46 46 GLN HG3 H 1 2.218 0.000 . . . . . A 46 GLN HG3 . 34068 1 526 . 1 1 46 46 GLN HE21 H 1 6.668 0.000 . . . . . A 46 GLN HE21 . 34068 1 527 . 1 1 46 46 GLN HE22 H 1 7.381 0.000 . . . . . A 46 GLN HE22 . 34068 1 528 . 1 1 46 46 GLN C C 13 174.052 0.000 . . . . . A 46 GLN C . 34068 1 529 . 1 1 46 46 GLN CA C 13 57.162 0.072 . . . . . A 46 GLN CA . 34068 1 530 . 1 1 46 46 GLN CB C 13 25.494 0.032 . . . . . A 46 GLN CB . 34068 1 531 . 1 1 46 46 GLN CG C 13 34.324 0.000 . . . . . A 46 GLN CG . 34068 1 532 . 1 1 46 46 GLN N N 15 116.868 0.009 . . . . . A 46 GLN N . 34068 1 533 . 1 1 46 46 GLN NE2 N 15 112.054 0.002 . . . . . A 46 GLN NE2 . 34068 1 534 . 1 1 47 47 GLN H H 1 6.951 0.001 . . . . . A 47 GLN H . 34068 1 535 . 1 1 47 47 GLN HA H 1 4.605 0.000 . . . . . A 47 GLN HA . 34068 1 536 . 1 1 47 47 GLN HB2 H 1 1.885 0.000 . . . . . A 47 GLN HB2 . 34068 1 537 . 1 1 47 47 GLN HB3 H 1 1.619 0.000 . . . . . A 47 GLN HB3 . 34068 1 538 . 1 1 47 47 GLN HG3 H 1 2.266 0.000 . . . . . A 47 GLN HG3 . 34068 1 539 . 1 1 47 47 GLN HE21 H 1 7.761 0.000 . . . . . A 47 GLN HE21 . 34068 1 540 . 1 1 47 47 GLN HE22 H 1 6.951 0.000 . . . . . A 47 GLN HE22 . 34068 1 541 . 1 1 47 47 GLN C C 13 174.377 0.000 . . . . . A 47 GLN C . 34068 1 542 . 1 1 47 47 GLN CA C 13 54.617 0.032 . . . . . A 47 GLN CA . 34068 1 543 . 1 1 47 47 GLN CB C 13 32.957 0.135 . . . . . A 47 GLN CB . 34068 1 544 . 1 1 47 47 GLN CG C 13 34.154 0.000 . . . . . A 47 GLN CG . 34068 1 545 . 1 1 47 47 GLN N N 15 116.126 0.022 . . . . . A 47 GLN N . 34068 1 546 . 1 1 47 47 GLN NE2 N 15 113.323 0.000 . . . . . A 47 GLN NE2 . 34068 1 547 . 1 1 48 48 TYR H H 1 8.621 0.001 . . . . . A 48 TYR H . 34068 1 548 . 1 1 48 48 TYR HA H 1 5.533 0.000 . . . . . A 48 TYR HA . 34068 1 549 . 1 1 48 48 TYR HB2 H 1 2.626 0.000 . . . . . A 48 TYR HB2 . 34068 1 550 . 1 1 48 48 TYR HB3 H 1 2.748 0.000 . . . . . A 48 TYR HB3 . 34068 1 551 . 1 1 48 48 TYR HD1 H 1 7.188 0.000 . . . . . A 48 TYR HD1 . 34068 1 552 . 1 1 48 48 TYR HD2 H 1 7.188 0.000 . . . . . A 48 TYR HD2 . 34068 1 553 . 1 1 48 48 TYR HE1 H 1 6.660 0.000 . . . . . A 48 TYR HE1 . 34068 1 554 . 1 1 48 48 TYR HE2 H 1 6.660 0.000 . . . . . A 48 TYR HE2 . 34068 1 555 . 1 1 48 48 TYR C C 13 176.462 0.000 . . . . . A 48 TYR C . 34068 1 556 . 1 1 48 48 TYR CA C 13 57.943 0.041 . . . . . A 48 TYR CA . 34068 1 557 . 1 1 48 48 TYR CB C 13 39.571 0.017 . . . . . A 48 TYR CB . 34068 1 558 . 1 1 48 48 TYR CD1 C 13 133.328 0.000 . . . . . A 48 TYR CD1 . 34068 1 559 . 1 1 48 48 TYR CD2 C 13 133.328 0.000 . . . . . A 48 TYR CD2 . 34068 1 560 . 1 1 48 48 TYR CE1 C 13 118.131 0.000 . . . . . A 48 TYR CE1 . 34068 1 561 . 1 1 48 48 TYR CE2 C 13 118.131 0.000 . . . . . A 48 TYR CE2 . 34068 1 562 . 1 1 48 48 TYR N N 15 120.850 0.012 . . . . . A 48 TYR N . 34068 1 563 . 1 1 49 49 LEU H H 1 9.551 0.001 . . . . . A 49 LEU H . 34068 1 564 . 1 1 49 49 LEU HA H 1 5.388 0.000 . . . . . A 49 LEU HA . 34068 1 565 . 1 1 49 49 LEU HB2 H 1 1.465 0.000 . . . . . A 49 LEU HB2 . 34068 1 566 . 1 1 49 49 LEU HB3 H 1 1.567 0.000 . . . . . A 49 LEU HB3 . 34068 1 567 . 1 1 49 49 LEU HG H 1 1.428 0.000 . . . . . A 49 LEU HG . 34068 1 568 . 1 1 49 49 LEU HD11 H 1 0.674 0.000 . . . . . A 49 LEU HD11 . 34068 1 569 . 1 1 49 49 LEU HD12 H 1 0.674 0.000 . . . . . A 49 LEU HD12 . 34068 1 570 . 1 1 49 49 LEU HD13 H 1 0.674 0.000 . . . . . A 49 LEU HD13 . 34068 1 571 . 1 1 49 49 LEU HD21 H 1 0.614 0.000 . . . . . A 49 LEU HD21 . 34068 1 572 . 1 1 49 49 LEU HD22 H 1 0.614 0.000 . . . . . A 49 LEU HD22 . 34068 1 573 . 1 1 49 49 LEU HD23 H 1 0.614 0.000 . . . . . A 49 LEU HD23 . 34068 1 574 . 1 1 49 49 LEU C C 13 175.076 0.000 . . . . . A 49 LEU C . 34068 1 575 . 1 1 49 49 LEU CA C 13 54.282 0.035 . . . . . A 49 LEU CA . 34068 1 576 . 1 1 49 49 LEU CB C 13 47.671 0.047 . . . . . A 49 LEU CB . 34068 1 577 . 1 1 49 49 LEU CG C 13 27.424 0.000 . . . . . A 49 LEU CG . 34068 1 578 . 1 1 49 49 LEU CD1 C 13 27.052 0.000 . . . . . A 49 LEU CD1 . 34068 1 579 . 1 1 49 49 LEU CD2 C 13 24.577 0.000 . . . . . A 49 LEU CD2 . 34068 1 580 . 1 1 49 49 LEU N N 15 122.363 0.022 . . . . . A 49 LEU N . 34068 1 581 . 1 1 50 50 TYR H H 1 9.336 0.001 . . . . . A 50 TYR H . 34068 1 582 . 1 1 50 50 TYR HA H 1 5.728 0.000 . . . . . A 50 TYR HA . 34068 1 583 . 1 1 50 50 TYR HB2 H 1 3.094 0.000 . . . . . A 50 TYR HB2 . 34068 1 584 . 1 1 50 50 TYR HB3 H 1 3.310 0.000 . . . . . A 50 TYR HB3 . 34068 1 585 . 1 1 50 50 TYR HD1 H 1 7.019 0.000 . . . . . A 50 TYR HD1 . 34068 1 586 . 1 1 50 50 TYR HD2 H 1 7.019 0.000 . . . . . A 50 TYR HD2 . 34068 1 587 . 1 1 50 50 TYR HE1 H 1 6.782 0.000 . . . . . A 50 TYR HE1 . 34068 1 588 . 1 1 50 50 TYR HE2 H 1 6.782 0.000 . . . . . A 50 TYR HE2 . 34068 1 589 . 1 1 50 50 TYR C C 13 174.146 0.000 . . . . . A 50 TYR C . 34068 1 590 . 1 1 50 50 TYR CA C 13 55.689 0.074 . . . . . A 50 TYR CA . 34068 1 591 . 1 1 50 50 TYR CB C 13 41.783 0.042 . . . . . A 50 TYR CB . 34068 1 592 . 1 1 50 50 TYR CD1 C 13 133.757 0.000 . . . . . A 50 TYR CD1 . 34068 1 593 . 1 1 50 50 TYR CD2 C 13 133.757 0.000 . . . . . A 50 TYR CD2 . 34068 1 594 . 1 1 50 50 TYR CE1 C 13 118.039 0.000 . . . . . A 50 TYR CE1 . 34068 1 595 . 1 1 50 50 TYR CE2 C 13 118.039 0.000 . . . . . A 50 TYR CE2 . 34068 1 596 . 1 1 50 50 TYR N N 15 117.621 0.017 . . . . . A 50 TYR N . 34068 1 597 . 1 1 51 51 TRP H H 1 9.202 0.002 . . . . . A 51 TRP H . 34068 1 598 . 1 1 51 51 TRP HA H 1 4.333 0.000 . . . . . A 51 TRP HA . 34068 1 599 . 1 1 51 51 TRP HB2 H 1 2.849 0.000 . . . . . A 51 TRP HB2 . 34068 1 600 . 1 1 51 51 TRP HB3 H 1 3.210 0.000 . . . . . A 51 TRP HB3 . 34068 1 601 . 1 1 51 51 TRP HD1 H 1 6.917 0.000 . . . . . A 51 TRP HD1 . 34068 1 602 . 1 1 51 51 TRP HE1 H 1 10.076 0.000 . . . . . A 51 TRP HE1 . 34068 1 603 . 1 1 51 51 TRP HE3 H 1 5.354 0.001 . . . . . A 51 TRP HE3 . 34068 1 604 . 1 1 51 51 TRP HZ2 H 1 7.145 0.000 . . . . . A 51 TRP HZ2 . 34068 1 605 . 1 1 51 51 TRP HZ3 H 1 6.136 0.001 . . . . . A 51 TRP HZ3 . 34068 1 606 . 1 1 51 51 TRP HH2 H 1 6.691 0.000 . . . . . A 51 TRP HH2 . 34068 1 607 . 1 1 51 51 TRP C C 13 173.891 0.000 . . . . . A 51 TRP C . 34068 1 608 . 1 1 51 51 TRP CA C 13 56.886 0.053 . . . . . A 51 TRP CA . 34068 1 609 . 1 1 51 51 TRP CB C 13 29.950 0.035 . . . . . A 51 TRP CB . 34068 1 610 . 1 1 51 51 TRP CD1 C 13 126.844 0.000 . . . . . A 51 TRP CD1 . 34068 1 611 . 1 1 51 51 TRP CE3 C 13 121.153 0.120 . . . . . A 51 TRP CE3 . 34068 1 612 . 1 1 51 51 TRP CZ2 C 13 112.717 0.000 . . . . . A 51 TRP CZ2 . 34068 1 613 . 1 1 51 51 TRP CZ3 C 13 121.062 0.084 . . . . . A 51 TRP CZ3 . 34068 1 614 . 1 1 51 51 TRP CH2 C 13 124.043 0.000 . . . . . A 51 TRP CH2 . 34068 1 615 . 1 1 51 51 TRP N N 15 122.312 0.020 . . . . . A 51 TRP N . 34068 1 616 . 1 1 51 51 TRP NE1 N 15 127.783 0.000 . . . . . A 51 TRP NE1 . 34068 1 617 . 1 1 52 52 ASP H H 1 7.849 0.001 . . . . . A 52 ASP H . 34068 1 618 . 1 1 52 52 ASP HA H 1 4.567 0.000 . . . . . A 52 ASP HA . 34068 1 619 . 1 1 52 52 ASP HB2 H 1 2.120 0.000 . . . . . A 52 ASP HB2 . 34068 1 620 . 1 1 52 52 ASP HB3 H 1 2.524 0.000 . . . . . A 52 ASP HB3 . 34068 1 621 . 1 1 52 52 ASP CA C 13 52.044 0.054 . . . . . A 52 ASP CA . 34068 1 622 . 1 1 52 52 ASP CB C 13 42.796 0.034 . . . . . A 52 ASP CB . 34068 1 623 . 1 1 52 52 ASP N N 15 129.271 0.028 . . . . . A 52 ASP N . 34068 1 624 . 1 1 53 53 GLY H H 1 8.407 0.003 . . . . . A 53 GLY H . 34068 1 625 . 1 1 53 53 GLY HA2 H 1 3.781 0.000 . . . . . A 53 GLY HA2 . 34068 1 626 . 1 1 53 53 GLY HA3 H 1 3.547 0.000 . . . . . A 53 GLY HA3 . 34068 1 627 . 1 1 53 53 GLY C C 13 174.730 0.000 . . . . . A 53 GLY C . 34068 1 628 . 1 1 53 53 GLY CA C 13 46.448 0.067 . . . . . A 53 GLY CA . 34068 1 629 . 1 1 53 53 GLY N N 15 111.691 0.013 . . . . . A 53 GLY N . 34068 1 630 . 1 1 54 54 GLU H H 1 8.058 0.001 . . . . . A 54 GLU H . 34068 1 631 . 1 1 54 54 GLU HA H 1 4.113 0.000 . . . . . A 54 GLU HA . 34068 1 632 . 1 1 54 54 GLU HB2 H 1 2.038 0.000 . . . . . A 54 GLU HB2 . 34068 1 633 . 1 1 54 54 GLU HG2 H 1 2.258 0.000 . . . . . A 54 GLU HG2 . 34068 1 634 . 1 1 54 54 GLU HG3 H 1 2.092 0.000 . . . . . A 54 GLU HG3 . 34068 1 635 . 1 1 54 54 GLU C C 13 178.042 0.000 . . . . . A 54 GLU C . 34068 1 636 . 1 1 54 54 GLU CA C 13 58.252 0.031 . . . . . A 54 GLU CA . 34068 1 637 . 1 1 54 54 GLU CB C 13 29.712 0.020 . . . . . A 54 GLU CB . 34068 1 638 . 1 1 54 54 GLU CG C 13 36.573 0.011 . . . . . A 54 GLU CG . 34068 1 639 . 1 1 54 54 GLU N N 15 120.320 0.012 . . . . . A 54 GLU N . 34068 1 640 . 1 1 55 55 LYS H H 1 7.566 0.001 . . . . . A 55 LYS H . 34068 1 641 . 1 1 55 55 LYS HA H 1 3.966 0.000 . . . . . A 55 LYS HA . 34068 1 642 . 1 1 55 55 LYS HB2 H 1 1.661 0.000 . . . . . A 55 LYS HB2 . 34068 1 643 . 1 1 55 55 LYS HB3 H 1 1.090 0.000 . . . . . A 55 LYS HB3 . 34068 1 644 . 1 1 55 55 LYS HG2 H 1 1.317 0.000 . . . . . A 55 LYS HG2 . 34068 1 645 . 1 1 55 55 LYS HG3 H 1 1.208 0.000 . . . . . A 55 LYS HG3 . 34068 1 646 . 1 1 55 55 LYS HD2 H 1 1.369 0.000 . . . . . A 55 LYS HD2 . 34068 1 647 . 1 1 55 55 LYS HD3 H 1 1.488 0.000 . . . . . A 55 LYS HD3 . 34068 1 648 . 1 1 55 55 LYS HE3 H 1 2.869 0.000 . . . . . A 55 LYS HE3 . 34068 1 649 . 1 1 55 55 LYS C C 13 175.560 0.000 . . . . . A 55 LYS C . 34068 1 650 . 1 1 55 55 LYS CA C 13 56.295 0.030 . . . . . A 55 LYS CA . 34068 1 651 . 1 1 55 55 LYS CB C 13 33.815 0.059 . . . . . A 55 LYS CB . 34068 1 652 . 1 1 55 55 LYS CG C 13 25.674 0.026 . . . . . A 55 LYS CG . 34068 1 653 . 1 1 55 55 LYS CD C 13 28.884 0.007 . . . . . A 55 LYS CD . 34068 1 654 . 1 1 55 55 LYS CE C 13 41.635 0.000 . . . . . A 55 LYS CE . 34068 1 655 . 1 1 55 55 LYS N N 15 117.521 0.016 . . . . . A 55 LYS N . 34068 1 656 . 1 1 56 56 GLU H H 1 7.743 0.001 . . . . . A 56 GLU H . 34068 1 657 . 1 1 56 56 GLU HA H 1 2.993 0.000 . . . . . A 56 GLU HA . 34068 1 658 . 1 1 56 56 GLU HB3 H 1 2.116 0.000 . . . . . A 56 GLU HB3 . 34068 1 659 . 1 1 56 56 GLU HG2 H 1 1.989 0.000 . . . . . A 56 GLU HG2 . 34068 1 660 . 1 1 56 56 GLU HG3 H 1 2.071 0.000 . . . . . A 56 GLU HG3 . 34068 1 661 . 1 1 56 56 GLU CA C 13 56.809 0.063 . . . . . A 56 GLU CA . 34068 1 662 . 1 1 56 56 GLU CB C 13 26.649 0.020 . . . . . A 56 GLU CB . 34068 1 663 . 1 1 56 56 GLU CG C 13 37.259 0.013 . . . . . A 56 GLU CG . 34068 1 664 . 1 1 56 56 GLU N N 15 116.459 0.020 . . . . . A 56 GLU N . 34068 1 665 . 1 1 57 57 THR H H 1 6.386 0.009 . . . . . A 57 THR H . 34068 1 666 . 1 1 57 57 THR HA H 1 4.203 0.000 . . . . . A 57 THR HA . 34068 1 667 . 1 1 57 57 THR HB H 1 3.877 0.000 . . . . . A 57 THR HB . 34068 1 668 . 1 1 57 57 THR HG21 H 1 0.754 0.000 . . . . . A 57 THR HG21 . 34068 1 669 . 1 1 57 57 THR HG22 H 1 0.754 0.000 . . . . . A 57 THR HG22 . 34068 1 670 . 1 1 57 57 THR HG23 H 1 0.754 0.000 . . . . . A 57 THR HG23 . 34068 1 671 . 1 1 57 57 THR C C 13 170.950 0.000 . . . . . A 57 THR C . 34068 1 672 . 1 1 57 57 THR CA C 13 59.919 0.098 . . . . . A 57 THR CA . 34068 1 673 . 1 1 57 57 THR CB C 13 69.601 0.020 . . . . . A 57 THR CB . 34068 1 674 . 1 1 57 57 THR CG2 C 13 19.209 0.000 . . . . . A 57 THR CG2 . 34068 1 675 . 1 1 57 57 THR N N 15 109.256 0.018 . . . . . A 57 THR N . 34068 1 676 . 1 1 58 58 TYR H H 1 7.463 0.001 . . . . . A 58 TYR H . 34068 1 677 . 1 1 58 58 TYR HA H 1 4.903 0.000 . . . . . A 58 TYR HA . 34068 1 678 . 1 1 58 58 TYR HB2 H 1 2.589 0.000 . . . . . A 58 TYR HB2 . 34068 1 679 . 1 1 58 58 TYR HB3 H 1 2.541 0.000 . . . . . A 58 TYR HB3 . 34068 1 680 . 1 1 58 58 TYR HD1 H 1 6.416 0.000 . . . . . A 58 TYR HD1 . 34068 1 681 . 1 1 58 58 TYR HD2 H 1 6.416 0.000 . . . . . A 58 TYR HD2 . 34068 1 682 . 1 1 58 58 TYR HE1 H 1 5.788 0.000 . . . . . A 58 TYR HE1 . 34068 1 683 . 1 1 58 58 TYR HE2 H 1 5.788 0.000 . . . . . A 58 TYR HE2 . 34068 1 684 . 1 1 58 58 TYR C C 13 175.697 0.000 . . . . . A 58 TYR C . 34068 1 685 . 1 1 58 58 TYR CA C 13 57.541 0.083 . . . . . A 58 TYR CA . 34068 1 686 . 1 1 58 58 TYR CB C 13 39.852 0.053 . . . . . A 58 TYR CB . 34068 1 687 . 1 1 58 58 TYR CD1 C 13 132.273 0.000 . . . . . A 58 TYR CD1 . 34068 1 688 . 1 1 58 58 TYR CD2 C 13 132.273 0.000 . . . . . A 58 TYR CD2 . 34068 1 689 . 1 1 58 58 TYR CE1 C 13 118.610 0.000 . . . . . A 58 TYR CE1 . 34068 1 690 . 1 1 58 58 TYR CE2 C 13 118.610 0.000 . . . . . A 58 TYR CE2 . 34068 1 691 . 1 1 58 58 TYR N N 15 120.611 0.004 . . . . . A 58 TYR N . 34068 1 692 . 1 1 59 59 VAL H H 1 9.130 0.001 . . . . . A 59 VAL H . 34068 1 693 . 1 1 59 59 VAL HA H 1 4.518 0.000 . . . . . A 59 VAL HA . 34068 1 694 . 1 1 59 59 VAL HB H 1 1.431 0.000 . . . . . A 59 VAL HB . 34068 1 695 . 1 1 59 59 VAL CA C 13 58.557 0.035 . . . . . A 59 VAL CA . 34068 1 696 . 1 1 59 59 VAL CB C 13 34.073 0.035 . . . . . A 59 VAL CB . 34068 1 697 . 1 1 59 59 VAL N N 15 123.675 0.017 . . . . . A 59 VAL N . 34068 1 698 . 1 1 60 60 PRO HA H 1 4.656 0.000 . . . . . A 60 PRO HA . 34068 1 699 . 1 1 60 60 PRO HB2 H 1 1.931 0.000 . . . . . A 60 PRO HB2 . 34068 1 700 . 1 1 60 60 PRO HB3 H 1 2.325 0.000 . . . . . A 60 PRO HB3 . 34068 1 701 . 1 1 60 60 PRO HG2 H 1 1.818 0.000 . . . . . A 60 PRO HG2 . 34068 1 702 . 1 1 60 60 PRO HG3 H 1 2.113 0.000 . . . . . A 60 PRO HG3 . 34068 1 703 . 1 1 60 60 PRO HD2 H 1 3.631 0.000 . . . . . A 60 PRO HD2 . 34068 1 704 . 1 1 60 60 PRO HD3 H 1 3.780 0.000 . . . . . A 60 PRO HD3 . 34068 1 705 . 1 1 60 60 PRO C C 13 176.432 0.000 . . . . . A 60 PRO C . 34068 1 706 . 1 1 60 60 PRO CA C 13 63.393 0.032 . . . . . A 60 PRO CA . 34068 1 707 . 1 1 60 60 PRO CB C 13 32.209 0.024 . . . . . A 60 PRO CB . 34068 1 708 . 1 1 60 60 PRO CG C 13 27.995 0.031 . . . . . A 60 PRO CG . 34068 1 709 . 1 1 60 60 PRO CD C 13 51.066 0.014 . . . . . A 60 PRO CD . 34068 1 710 . 1 1 61 61 ALA H H 1 8.624 0.001 . . . . . A 61 ALA H . 34068 1 711 . 1 1 61 61 ALA HA H 1 4.382 0.000 . . . . . A 61 ALA HA . 34068 1 712 . 1 1 61 61 ALA HB1 H 1 1.110 0.000 . . . . . A 61 ALA HB1 . 34068 1 713 . 1 1 61 61 ALA HB2 H 1 1.110 0.000 . . . . . A 61 ALA HB2 . 34068 1 714 . 1 1 61 61 ALA HB3 H 1 1.110 0.000 . . . . . A 61 ALA HB3 . 34068 1 715 . 1 1 61 61 ALA C C 13 177.356 0.000 . . . . . A 61 ALA C . 34068 1 716 . 1 1 61 61 ALA CA C 13 52.439 0.019 . . . . . A 61 ALA CA . 34068 1 717 . 1 1 61 61 ALA CB C 13 19.274 0.057 . . . . . A 61 ALA CB . 34068 1 718 . 1 1 61 61 ALA N N 15 125.845 0.013 . . . . . A 61 ALA N . 34068 1 719 . 1 1 62 62 ALA H H 1 8.382 0.003 . . . . . A 62 ALA H . 34068 1 720 . 1 1 62 62 ALA HA H 1 4.395 0.000 . . . . . A 62 ALA HA . 34068 1 721 . 1 1 62 62 ALA HB1 H 1 1.435 0.000 . . . . . A 62 ALA HB1 . 34068 1 722 . 1 1 62 62 ALA HB2 H 1 1.435 0.000 . . . . . A 62 ALA HB2 . 34068 1 723 . 1 1 62 62 ALA HB3 H 1 1.435 0.000 . . . . . A 62 ALA HB3 . 34068 1 724 . 1 1 62 62 ALA C C 13 177.414 0.000 . . . . . A 62 ALA C . 34068 1 725 . 1 1 62 62 ALA CA C 13 52.307 0.037 . . . . . A 62 ALA CA . 34068 1 726 . 1 1 62 62 ALA CB C 13 19.655 0.047 . . . . . A 62 ALA CB . 34068 1 727 . 1 1 62 62 ALA N N 15 123.129 0.009 . . . . . A 62 ALA N . 34068 1 728 . 1 1 63 63 GLU H H 1 8.441 0.002 . . . . . A 63 GLU H . 34068 1 729 . 1 1 63 63 GLU HA H 1 4.340 0.000 . . . . . A 63 GLU HA . 34068 1 730 . 1 1 63 63 GLU HB2 H 1 2.127 0.000 . . . . . A 63 GLU HB2 . 34068 1 731 . 1 1 63 63 GLU HB3 H 1 1.950 0.000 . . . . . A 63 GLU HB3 . 34068 1 732 . 1 1 63 63 GLU HG2 H 1 2.263 0.000 . . . . . A 63 GLU HG2 . 34068 1 733 . 1 1 63 63 GLU HG3 H 1 2.300 0.000 . . . . . A 63 GLU HG3 . 34068 1 734 . 1 1 63 63 GLU C C 13 175.639 0.000 . . . . . A 63 GLU C . 34068 1 735 . 1 1 63 63 GLU CA C 13 56.625 0.086 . . . . . A 63 GLU CA . 34068 1 736 . 1 1 63 63 GLU CB C 13 30.489 0.046 . . . . . A 63 GLU CB . 34068 1 737 . 1 1 63 63 GLU CG C 13 36.385 0.005 . . . . . A 63 GLU CG . 34068 1 738 . 1 1 63 63 GLU N N 15 120.758 0.014 . . . . . A 63 GLU N . 34068 1 739 . 1 1 64 64 SER H H 1 7.968 0.001 . . . . . A 64 SER H . 34068 1 740 . 1 1 64 64 SER HA H 1 4.248 0.000 . . . . . A 64 SER HA . 34068 1 741 . 1 1 64 64 SER HB3 H 1 3.822 0.000 . . . . . A 64 SER HB3 . 34068 1 742 . 1 1 64 64 SER CA C 13 59.962 0.055 . . . . . A 64 SER CA . 34068 1 743 . 1 1 64 64 SER CB C 13 64.916 0.056 . . . . . A 64 SER CB . 34068 1 744 . 1 1 64 64 SER N N 15 122.157 0.020 . . . . . A 64 SER N . 34068 1 stop_ save_