data_50711 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50711 _Entry.Title ; 1H, 13C, and 15N chemical shift assignments of the N-terminal fragment of PaaR2 regulator encoded on the cryptic prophage CP933-P in Escherichia coli O157:H7 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-01-15 _Entry.Accession_date 2021-01-15 _Entry.Last_release_date 2021-01-17 _Entry.Original_release_date 2021-01-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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 Marusa Prolic-Kalinsek . . . . 50711 2 Remy Loris . . . . 50711 3 Alexander Volkov . N. . . 50711 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50711 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 272 50711 '15N chemical shifts' 65 50711 '1H chemical shifts' 407 50711 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 . . 2022-02-25 . original BMRB . 50711 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50711 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N chemical shift assignments of the N-terminal fragment of PaaR2 regulator encoded on the cryptic prophage CP933-P in Escherichia coli O157:H7 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev n/a _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Marusa Prolic-Kalinsek . . . . 50711 1 2 Alexander Volkov . N. . . 50711 1 3 Remy Loris . . . . 50711 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50711 _Assembly.ID 1 _Assembly.Name PaaR2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PaaR2 1 $entity_1 . . yes native no no . . . 50711 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50711 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQKKEIRRLRLKEWFKDKTL PPKEKSYLSQLMSGRASFGE KAARRIEQTYGMPEGYLDAE YAEQPGSSHHHHHH ; _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 74 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q8XAD6 . 'Phage repressor protein CI' . . . . . . . . . . . . . . 50711 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'transcription regulator' 50711 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 50711 1 2 . GLN . 50711 1 3 . LYS . 50711 1 4 . LYS . 50711 1 5 . GLU . 50711 1 6 . ILE . 50711 1 7 . ARG . 50711 1 8 . ARG . 50711 1 9 . LEU . 50711 1 10 . ARG . 50711 1 11 . LEU . 50711 1 12 . LYS . 50711 1 13 . GLU . 50711 1 14 . TRP . 50711 1 15 . PHE . 50711 1 16 . LYS . 50711 1 17 . ASP . 50711 1 18 . LYS . 50711 1 19 . THR . 50711 1 20 . LEU . 50711 1 21 . PRO . 50711 1 22 . PRO . 50711 1 23 . LYS . 50711 1 24 . GLU . 50711 1 25 . LYS . 50711 1 26 . SER . 50711 1 27 . TYR . 50711 1 28 . LEU . 50711 1 29 . SER . 50711 1 30 . GLN . 50711 1 31 . LEU . 50711 1 32 . MET . 50711 1 33 . SER . 50711 1 34 . GLY . 50711 1 35 . ARG . 50711 1 36 . ALA . 50711 1 37 . SER . 50711 1 38 . PHE . 50711 1 39 . GLY . 50711 1 40 . GLU . 50711 1 41 . LYS . 50711 1 42 . ALA . 50711 1 43 . ALA . 50711 1 44 . ARG . 50711 1 45 . ARG . 50711 1 46 . ILE . 50711 1 47 . GLU . 50711 1 48 . GLN . 50711 1 49 . THR . 50711 1 50 . TYR . 50711 1 51 . GLY . 50711 1 52 . MET . 50711 1 53 . PRO . 50711 1 54 . GLU . 50711 1 55 . GLY . 50711 1 56 . TYR . 50711 1 57 . LEU . 50711 1 58 . ASP . 50711 1 59 . ALA . 50711 1 60 . GLU . 50711 1 61 . TYR . 50711 1 62 . ALA . 50711 1 63 . GLU . 50711 1 64 . GLN . 50711 1 65 . PRO . 50711 1 66 . GLY . 50711 1 67 . SER . 50711 1 68 . SER . 50711 1 69 . HIS . 50711 1 70 . HIS . 50711 1 71 . HIS . 50711 1 72 . HIS . 50711 1 73 . HIS . 50711 1 74 . HIS . 50711 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 50711 1 . GLN 2 2 50711 1 . LYS 3 3 50711 1 . LYS 4 4 50711 1 . GLU 5 5 50711 1 . ILE 6 6 50711 1 . ARG 7 7 50711 1 . ARG 8 8 50711 1 . LEU 9 9 50711 1 . ARG 10 10 50711 1 . LEU 11 11 50711 1 . LYS 12 12 50711 1 . GLU 13 13 50711 1 . TRP 14 14 50711 1 . PHE 15 15 50711 1 . LYS 16 16 50711 1 . ASP 17 17 50711 1 . LYS 18 18 50711 1 . THR 19 19 50711 1 . LEU 20 20 50711 1 . PRO 21 21 50711 1 . PRO 22 22 50711 1 . LYS 23 23 50711 1 . GLU 24 24 50711 1 . LYS 25 25 50711 1 . SER 26 26 50711 1 . TYR 27 27 50711 1 . LEU 28 28 50711 1 . SER 29 29 50711 1 . GLN 30 30 50711 1 . LEU 31 31 50711 1 . MET 32 32 50711 1 . SER 33 33 50711 1 . GLY 34 34 50711 1 . ARG 35 35 50711 1 . ALA 36 36 50711 1 . SER 37 37 50711 1 . PHE 38 38 50711 1 . GLY 39 39 50711 1 . GLU 40 40 50711 1 . LYS 41 41 50711 1 . ALA 42 42 50711 1 . ALA 43 43 50711 1 . ARG 44 44 50711 1 . ARG 45 45 50711 1 . ILE 46 46 50711 1 . GLU 47 47 50711 1 . GLN 48 48 50711 1 . THR 49 49 50711 1 . TYR 50 50 50711 1 . GLY 51 51 50711 1 . MET 52 52 50711 1 . PRO 53 53 50711 1 . GLU 54 54 50711 1 . GLY 55 55 50711 1 . TYR 56 56 50711 1 . LEU 57 57 50711 1 . ASP 58 58 50711 1 . ALA 59 59 50711 1 . GLU 60 60 50711 1 . TYR 61 61 50711 1 . ALA 62 62 50711 1 . GLU 63 63 50711 1 . GLN 64 64 50711 1 . PRO 65 65 50711 1 . GLY 66 66 50711 1 . SER 67 67 50711 1 . SER 68 68 50711 1 . HIS 69 69 50711 1 . HIS 70 70 50711 1 . HIS 71 71 50711 1 . HIS 72 72 50711 1 . HIS 73 73 50711 1 . HIS 74 74 50711 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50711 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli O157:H7 . . . . . . . . . . paaR2 . 50711 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50711 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 Star (DE3)' . . plasmid . . pET15b . . . 50711 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50711 _Sample.ID 1 _Sample.Name sample1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PaaR2 N-terminal domain (residues 1-68)' '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 50711 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50711 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50711 1 4 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 50711 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 50711 _Sample_condition_list.ID 1 _Sample_condition_list.Name condition1 _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' 65 . mM 50711 1 pH 6.0 . pH 50711 1 pressure 1 . atm 50711 1 temperature 298 . K 50711 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50711 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50711 1 processing . 50711 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50711 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50711 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50711 _Software.ID 3 _Software.Type . _Software.Name CCPN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50711 3 'data analysis' . 50711 3 'peak picking' . 50711 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50711 _Software.ID 4 _Software.Type . _Software.Name qMDD _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50711 4 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 50711 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name spectrometer1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50711 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50711 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50711 1 3 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50711 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50711 1 5 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50711 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50711 1 7 '3D (H)CCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50711 1 8 '3D H(C)CH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50711 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50711 1 10 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50711 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50711 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50711 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50711 1 14 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50711 1 15 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50711 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 50711 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name reference1 _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 . . . . . 50711 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50711 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50711 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 50711 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name list1 _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' . . . 50711 1 2 '3D HNCACB' . . . 50711 1 3 '3D HN(CO)CACB' . . . 50711 1 4 '3D HNCO' . . . 50711 1 5 '3D HN(CA)CO' . . . 50711 1 6 '3D HBHA(CO)NH' . . . 50711 1 7 '3D (H)CCH-TOCSY' . . . 50711 1 8 '3D H(C)CH-TOCSY' . . . 50711 1 9 '2D 1H-13C HSQC' . . . 50711 1 10 '2D 1H-13C HSQC aromatic' . . . 50711 1 11 '3D 1H-15N NOESY' . . . 50711 1 12 '3D 1H-13C NOESY aliphatic' . . . 50711 1 13 '3D 1H-13C NOESY aromatic' . . . 50711 1 14 '2D (HB)CB(CGCD)HD' . . . 50711 1 15 '2D (HB)CB(CGCDCE)HE' . . . 50711 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 50711 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 LYS HA H 1 3.858 0.04 . 1 . . . . . 3 LYS HA . 50711 1 2 . 1 . 1 3 3 LYS HB2 H 1 1.493 0.04 . 2 . . . . . 3 LYS HB2 . 50711 1 3 . 1 . 1 3 3 LYS HB3 H 1 1.887 0.04 . 2 . . . . . 3 LYS HB3 . 50711 1 4 . 1 . 1 3 3 LYS C C 13 178.421 0.4 . 1 . . . . . 3 LYS C . 50711 1 5 . 1 . 1 3 3 LYS CA C 13 59.293 0.4 . 1 . . . . . 3 LYS CA . 50711 1 6 . 1 . 1 3 3 LYS CB C 13 31.626 0.4 . 1 . . . . . 3 LYS CB . 50711 1 7 . 1 . 1 4 4 LYS H H 1 8.653 0.04 . 1 . . . . . 4 LYS H . 50711 1 8 . 1 . 1 4 4 LYS HA H 1 4.020 0.04 . 1 . . . . . 4 LYS HA . 50711 1 9 . 1 . 1 4 4 LYS C C 13 177.533 0.4 . 1 . . . . . 4 LYS C . 50711 1 10 . 1 . 1 4 4 LYS CA C 13 59.960 0.4 . 1 . . . . . 4 LYS CA . 50711 1 11 . 1 . 1 4 4 LYS N N 15 115.110 0.2 . 1 . . . . . 4 LYS N . 50711 1 12 . 1 . 1 5 5 GLU H H 1 7.078 0.04 . 1 . . . . . 5 GLU H . 50711 1 13 . 1 . 1 5 5 GLU HA H 1 4.392 0.04 . 1 . . . . . 5 GLU HA . 50711 1 14 . 1 . 1 5 5 GLU HB2 H 1 2.071 0.04 . 1 . . . . . 5 GLU HB2 . 50711 1 15 . 1 . 1 5 5 GLU HB3 H 1 2.071 0.04 . 1 . . . . . 5 GLU HB3 . 50711 1 16 . 1 . 1 5 5 GLU HG2 H 1 2.315 0.04 . 1 . . . . . 5 GLU HG2 . 50711 1 17 . 1 . 1 5 5 GLU HG3 H 1 2.315 0.04 . 1 . . . . . 5 GLU HG3 . 50711 1 18 . 1 . 1 5 5 GLU C C 13 177.894 0.4 . 1 . . . . . 5 GLU C . 50711 1 19 . 1 . 1 5 5 GLU CA C 13 57.829 0.4 . 1 . . . . . 5 GLU CA . 50711 1 20 . 1 . 1 5 5 GLU CB C 13 29.923 0.4 . 1 . . . . . 5 GLU CB . 50711 1 21 . 1 . 1 5 5 GLU CG C 13 35.675 0.4 . 1 . . . . . 5 GLU CG . 50711 1 22 . 1 . 1 5 5 GLU N N 15 119.937 0.2 . 1 . . . . . 5 GLU N . 50711 1 23 . 1 . 1 6 6 ILE H H 1 7.566 0.04 . 1 . . . . . 6 ILE H . 50711 1 24 . 1 . 1 6 6 ILE HA H 1 3.527 0.04 . 1 . . . . . 6 ILE HA . 50711 1 25 . 1 . 1 6 6 ILE HB H 1 1.750 0.04 . 1 . . . . . 6 ILE HB . 50711 1 26 . 1 . 1 6 6 ILE HG12 H 1 0.978 0.04 . 2 . . . . . 6 ILE HG12 . 50711 1 27 . 1 . 1 6 6 ILE HG13 H 1 1.499 0.04 . 2 . . . . . 6 ILE HG13 . 50711 1 28 . 1 . 1 6 6 ILE HG21 H 1 0.669 0.04 . 1 . . . . . 6 ILE HG2* . 50711 1 29 . 1 . 1 6 6 ILE HG22 H 1 0.669 0.04 . 1 . . . . . 6 ILE HG2* . 50711 1 30 . 1 . 1 6 6 ILE HG23 H 1 0.669 0.04 . 1 . . . . . 6 ILE HG2* . 50711 1 31 . 1 . 1 6 6 ILE HD11 H 1 0.732 0.04 . 1 . . . . . 6 ILE HD1* . 50711 1 32 . 1 . 1 6 6 ILE HD12 H 1 0.732 0.04 . 1 . . . . . 6 ILE HD1* . 50711 1 33 . 1 . 1 6 6 ILE HD13 H 1 0.732 0.04 . 1 . . . . . 6 ILE HD1* . 50711 1 34 . 1 . 1 6 6 ILE C C 13 177.143 0.4 . 1 . . . . . 6 ILE C . 50711 1 35 . 1 . 1 6 6 ILE CA C 13 65.689 0.4 . 1 . . . . . 6 ILE CA . 50711 1 36 . 1 . 1 6 6 ILE CB C 13 38.604 0.4 . 1 . . . . . 6 ILE CB . 50711 1 37 . 1 . 1 6 6 ILE CG1 C 13 29.537 0.4 . 1 . . . . . 6 ILE CG1 . 50711 1 38 . 1 . 1 6 6 ILE CG2 C 13 17.380 0.4 . 1 . . . . . 6 ILE CG2 . 50711 1 39 . 1 . 1 6 6 ILE CD1 C 13 14.099 0.4 . 1 . . . . . 6 ILE CD1 . 50711 1 40 . 1 . 1 6 6 ILE N N 15 121.533 0.2 . 1 . . . . . 6 ILE N . 50711 1 41 . 1 . 1 7 7 ARG H H 1 7.888 0.04 . 1 . . . . . 7 ARG H . 50711 1 42 . 1 . 1 7 7 ARG HA H 1 4.410 0.04 . 1 . . . . . 7 ARG HA . 50711 1 43 . 1 . 1 7 7 ARG HB2 H 1 -0.181 0.04 . 2 . . . . . 7 ARG HB2 . 50711 1 44 . 1 . 1 7 7 ARG HB3 H 1 0.635 0.04 . 2 . . . . . 7 ARG HB3 . 50711 1 45 . 1 . 1 7 7 ARG HG2 H 1 0.937 0.04 . 2 . . . . . 7 ARG HG2 . 50711 1 46 . 1 . 1 7 7 ARG HG3 H 1 1.281 0.04 . 2 . . . . . 7 ARG HG3 . 50711 1 47 . 1 . 1 7 7 ARG HD2 H 1 2.045 0.04 . 2 . . . . . 7 ARG HD2 . 50711 1 48 . 1 . 1 7 7 ARG HD3 H 1 2.460 0.04 . 2 . . . . . 7 ARG HD3 . 50711 1 49 . 1 . 1 7 7 ARG HE H 1 8.466 0.04 . 1 . . . . . 7 ARG HE . 50711 1 50 . 1 . 1 7 7 ARG C C 13 178.327 0.4 . 1 . . . . . 7 ARG C . 50711 1 51 . 1 . 1 7 7 ARG CA C 13 58.414 0.4 . 1 . . . . . 7 ARG CA . 50711 1 52 . 1 . 1 7 7 ARG CB C 13 28.555 0.4 . 1 . . . . . 7 ARG CB . 50711 1 53 . 1 . 1 7 7 ARG CG C 13 27.745 0.4 . 1 . . . . . 7 ARG CG . 50711 1 54 . 1 . 1 7 7 ARG CD C 13 44.868 0.4 . 1 . . . . . 7 ARG CD . 50711 1 55 . 1 . 1 7 7 ARG N N 15 116.884 0.2 . 1 . . . . . 7 ARG N . 50711 1 56 . 1 . 1 7 7 ARG NE N 15 89.113 0.2 . 1 . . . . . 7 ARG NE . 50711 1 57 . 1 . 1 8 8 ARG H H 1 6.990 0.04 . 1 . . . . . 8 ARG H . 50711 1 58 . 1 . 1 8 8 ARG HA H 1 3.919 0.04 . 1 . . . . . 8 ARG HA . 50711 1 59 . 1 . 1 8 8 ARG HB2 H 1 2.063 0.04 . 2 . . . . . 8 ARG HB2 . 50711 1 60 . 1 . 1 8 8 ARG HB3 H 1 2.125 0.04 . 2 . . . . . 8 ARG HB3 . 50711 1 61 . 1 . 1 8 8 ARG HG2 H 1 1.730 0.04 . 2 . . . . . 8 ARG HG2 . 50711 1 62 . 1 . 1 8 8 ARG HG3 H 1 2.141 0.04 . 2 . . . . . 8 ARG HG3 . 50711 1 63 . 1 . 1 8 8 ARG HD2 H 1 3.134 0.04 . 1 . . . . . 8 ARG HD2 . 50711 1 64 . 1 . 1 8 8 ARG HD3 H 1 3.134 0.04 . 1 . . . . . 8 ARG HD3 . 50711 1 65 . 1 . 1 8 8 ARG C C 13 178.135 0.4 . 1 . . . . . 8 ARG C . 50711 1 66 . 1 . 1 8 8 ARG CA C 13 60.802 0.4 . 1 . . . . . 8 ARG CA . 50711 1 67 . 1 . 1 8 8 ARG CB C 13 31.294 0.4 . 1 . . . . . 8 ARG CB . 50711 1 68 . 1 . 1 8 8 ARG CG C 13 27.914 0.4 . 1 . . . . . 8 ARG CG . 50711 1 69 . 1 . 1 8 8 ARG CD C 13 43.718 0.4 . 1 . . . . . 8 ARG CD . 50711 1 70 . 1 . 1 8 8 ARG N N 15 116.981 0.2 . 1 . . . . . 8 ARG N . 50711 1 71 . 1 . 1 9 9 LEU H H 1 7.861 0.04 . 1 . . . . . 9 LEU H . 50711 1 72 . 1 . 1 9 9 LEU HA H 1 4.006 0.04 . 1 . . . . . 9 LEU HA . 50711 1 73 . 1 . 1 9 9 LEU HB2 H 1 1.596 0.04 . 2 . . . . . 9 LEU HB2 . 50711 1 74 . 1 . 1 9 9 LEU HB3 H 1 2.028 0.04 . 2 . . . . . 9 LEU HB3 . 50711 1 75 . 1 . 1 9 9 LEU HG H 1 1.805 0.04 . 1 . . . . . 9 LEU HG . 50711 1 76 . 1 . 1 9 9 LEU HD11 H 1 0.767 0.04 . 2 . . . . . 9 LEU HD1* . 50711 1 77 . 1 . 1 9 9 LEU HD12 H 1 0.767 0.04 . 2 . . . . . 9 LEU HD1* . 50711 1 78 . 1 . 1 9 9 LEU HD13 H 1 0.767 0.04 . 2 . . . . . 9 LEU HD1* . 50711 1 79 . 1 . 1 9 9 LEU HD21 H 1 0.805 0.04 . 2 . . . . . 9 LEU HD2* . 50711 1 80 . 1 . 1 9 9 LEU HD22 H 1 0.805 0.04 . 2 . . . . . 9 LEU HD2* . 50711 1 81 . 1 . 1 9 9 LEU HD23 H 1 0.805 0.04 . 2 . . . . . 9 LEU HD2* . 50711 1 82 . 1 . 1 9 9 LEU C C 13 180.765 0.4 . 1 . . . . . 9 LEU C . 50711 1 83 . 1 . 1 9 9 LEU CA C 13 58.166 0.4 . 1 . . . . . 9 LEU CA . 50711 1 84 . 1 . 1 9 9 LEU CB C 13 42.045 0.4 . 1 . . . . . 9 LEU CB . 50711 1 85 . 1 . 1 9 9 LEU CG C 13 26.841 0.4 . 1 . . . . . 9 LEU CG . 50711 1 86 . 1 . 1 9 9 LEU CD1 C 13 22.958 0.4 . 2 . . . . . 9 LEU CD1 . 50711 1 87 . 1 . 1 9 9 LEU CD2 C 13 25.218 0.4 . 2 . . . . . 9 LEU CD2 . 50711 1 88 . 1 . 1 9 9 LEU N N 15 119.490 0.2 . 1 . . . . . 9 LEU N . 50711 1 89 . 1 . 1 10 10 ARG H H 1 9.142 0.04 . 1 . . . . . 10 ARG H . 50711 1 90 . 1 . 1 10 10 ARG HA H 1 4.112 0.04 . 1 . . . . . 10 ARG HA . 50711 1 91 . 1 . 1 10 10 ARG HB2 H 1 1.403 0.04 . 2 . . . . . 10 ARG HB2 . 50711 1 92 . 1 . 1 10 10 ARG HB3 H 1 2.145 0.04 . 2 . . . . . 10 ARG HB3 . 50711 1 93 . 1 . 1 10 10 ARG C C 13 179.311 0.4 . 1 . . . . . 10 ARG C . 50711 1 94 . 1 . 1 10 10 ARG CA C 13 57.735 0.4 . 1 . . . . . 10 ARG CA . 50711 1 95 . 1 . 1 10 10 ARG CB C 13 31.173 0.4 . 1 . . . . . 10 ARG CB . 50711 1 96 . 1 . 1 10 10 ARG N N 15 120.765 0.2 . 1 . . . . . 10 ARG N . 50711 1 97 . 1 . 1 11 11 LEU H H 1 8.739 0.04 . 1 . . . . . 11 LEU H . 50711 1 98 . 1 . 1 11 11 LEU HA H 1 4.202 0.04 . 1 . . . . . 11 LEU HA . 50711 1 99 . 1 . 1 11 11 LEU HB2 H 1 1.955 0.04 . 2 . . . . . 11 LEU HB2 . 50711 1 100 . 1 . 1 11 11 LEU HB3 H 1 2.281 0.04 . 2 . . . . . 11 LEU HB3 . 50711 1 101 . 1 . 1 11 11 LEU HG H 1 1.893 0.04 . 1 . . . . . 11 LEU HG . 50711 1 102 . 1 . 1 11 11 LEU HD11 H 1 0.972 0.04 . 2 . . . . . 11 LEU HD1* . 50711 1 103 . 1 . 1 11 11 LEU HD12 H 1 0.972 0.04 . 2 . . . . . 11 LEU HD1* . 50711 1 104 . 1 . 1 11 11 LEU HD13 H 1 0.972 0.04 . 2 . . . . . 11 LEU HD1* . 50711 1 105 . 1 . 1 11 11 LEU HD21 H 1 1.217 0.04 . 2 . . . . . 11 LEU HD2* . 50711 1 106 . 1 . 1 11 11 LEU HD22 H 1 1.217 0.04 . 2 . . . . . 11 LEU HD2* . 50711 1 107 . 1 . 1 11 11 LEU HD23 H 1 1.217 0.04 . 2 . . . . . 11 LEU HD2* . 50711 1 108 . 1 . 1 11 11 LEU C C 13 178.251 0.4 . 1 . . . . . 11 LEU C . 50711 1 109 . 1 . 1 11 11 LEU CA C 13 58.574 0.4 . 1 . . . . . 11 LEU CA . 50711 1 110 . 1 . 1 11 11 LEU CB C 13 42.633 0.4 . 1 . . . . . 11 LEU CB . 50711 1 111 . 1 . 1 11 11 LEU CG C 13 27.002 0.4 . 1 . . . . . 11 LEU CG . 50711 1 112 . 1 . 1 11 11 LEU CD1 C 13 28.890 0.4 . 2 . . . . . 11 LEU CD1 . 50711 1 113 . 1 . 1 11 11 LEU CD2 C 13 25.484 0.4 . 2 . . . . . 11 LEU CD2 . 50711 1 114 . 1 . 1 11 11 LEU N N 15 123.291 0.2 . 1 . . . . . 11 LEU N . 50711 1 115 . 1 . 1 12 12 LYS H H 1 7.911 0.04 . 1 . . . . . 12 LYS H . 50711 1 116 . 1 . 1 12 12 LYS HA H 1 4.176 0.04 . 1 . . . . . 12 LYS HA . 50711 1 117 . 1 . 1 12 12 LYS HB2 H 1 1.967 0.04 . 1 . . . . . 12 LYS HB2 . 50711 1 118 . 1 . 1 12 12 LYS HB3 H 1 1.967 0.04 . 1 . . . . . 12 LYS HB3 . 50711 1 119 . 1 . 1 12 12 LYS HG2 H 1 1.487 0.04 . 2 . . . . . 12 LYS HG2 . 50711 1 120 . 1 . 1 12 12 LYS HG3 H 1 1.826 0.04 . 2 . . . . . 12 LYS HG3 . 50711 1 121 . 1 . 1 12 12 LYS HD2 H 1 1.653 0.04 . 2 . . . . . 12 LYS HD2 . 50711 1 122 . 1 . 1 12 12 LYS HD3 H 1 1.802 0.04 . 2 . . . . . 12 LYS HD3 . 50711 1 123 . 1 . 1 12 12 LYS HE2 H 1 2.971 0.04 . 1 . . . . . 12 LYS HE2 . 50711 1 124 . 1 . 1 12 12 LYS HE3 H 1 2.971 0.04 . 1 . . . . . 12 LYS HE3 . 50711 1 125 . 1 . 1 12 12 LYS C C 13 179.581 0.4 . 1 . . . . . 12 LYS C . 50711 1 126 . 1 . 1 12 12 LYS CA C 13 60.031 0.4 . 1 . . . . . 12 LYS CA . 50711 1 127 . 1 . 1 12 12 LYS CB C 13 32.594 0.4 . 1 . . . . . 12 LYS CB . 50711 1 128 . 1 . 1 12 12 LYS CG C 13 25.367 0.4 . 1 . . . . . 12 LYS CG . 50711 1 129 . 1 . 1 12 12 LYS CD C 13 29.654 0.4 . 1 . . . . . 12 LYS CD . 50711 1 130 . 1 . 1 12 12 LYS CE C 13 41.663 0.4 . 1 . . . . . 12 LYS CE . 50711 1 131 . 1 . 1 12 12 LYS N N 15 117.257 0.2 . 1 . . . . . 12 LYS N . 50711 1 132 . 1 . 1 13 13 GLU H H 1 8.203 0.04 . 1 . . . . . 13 GLU H . 50711 1 133 . 1 . 1 13 13 GLU HA H 1 3.996 0.04 . 1 . . . . . 13 GLU HA . 50711 1 134 . 1 . 1 13 13 GLU HB2 H 1 2.279 0.04 . 2 . . . . . 13 GLU HB2 . 50711 1 135 . 1 . 1 13 13 GLU HB3 H 1 2.377 0.04 . 2 . . . . . 13 GLU HB3 . 50711 1 136 . 1 . 1 13 13 GLU HG2 H 1 2.301 0.04 . 2 . . . . . 13 GLU HG2 . 50711 1 137 . 1 . 1 13 13 GLU HG3 H 1 2.403 0.04 . 2 . . . . . 13 GLU HG3 . 50711 1 138 . 1 . 1 13 13 GLU C C 13 179.161 0.4 . 1 . . . . . 13 GLU C . 50711 1 139 . 1 . 1 13 13 GLU CA C 13 59.415 0.4 . 1 . . . . . 13 GLU CA . 50711 1 140 . 1 . 1 13 13 GLU CB C 13 29.984 0.4 . 1 . . . . . 13 GLU CB . 50711 1 141 . 1 . 1 13 13 GLU CG C 13 36.456 0.4 . 1 . . . . . 13 GLU CG . 50711 1 142 . 1 . 1 13 13 GLU N N 15 119.038 0.2 . 1 . . . . . 13 GLU N . 50711 1 143 . 1 . 1 14 14 TRP H H 1 8.543 0.04 . 1 . . . . . 14 TRP H . 50711 1 144 . 1 . 1 14 14 TRP HA H 1 3.926 0.04 . 1 . . . . . 14 TRP HA . 50711 1 145 . 1 . 1 14 14 TRP HB2 H 1 3.025 0.04 . 2 . . . . . 14 TRP HB2 . 50711 1 146 . 1 . 1 14 14 TRP HB3 H 1 3.374 0.04 . 2 . . . . . 14 TRP HB3 . 50711 1 147 . 1 . 1 14 14 TRP HE1 H 1 9.892 0.04 . 1 . . . . . 14 TRP HE1 . 50711 1 148 . 1 . 1 14 14 TRP C C 13 177.499 0.4 . 1 . . . . . 14 TRP C . 50711 1 149 . 1 . 1 14 14 TRP CA C 13 60.776 0.4 . 1 . . . . . 14 TRP CA . 50711 1 150 . 1 . 1 14 14 TRP CB C 13 28.656 0.4 . 1 . . . . . 14 TRP CB . 50711 1 151 . 1 . 1 14 14 TRP N N 15 120.754 0.2 . 1 . . . . . 14 TRP N . 50711 1 152 . 1 . 1 14 14 TRP NE1 N 15 128.563 0.2 . 1 . . . . . 14 TRP NE1 . 50711 1 153 . 1 . 1 15 15 PHE H H 1 7.448 0.04 . 1 . . . . . 15 PHE H . 50711 1 154 . 1 . 1 15 15 PHE HA H 1 4.254 0.04 . 1 . . . . . 15 PHE HA . 50711 1 155 . 1 . 1 15 15 PHE HB2 H 1 2.602 0.04 . 2 . . . . . 15 PHE HB2 . 50711 1 156 . 1 . 1 15 15 PHE HB3 H 1 3.496 0.04 . 2 . . . . . 15 PHE HB3 . 50711 1 157 . 1 . 1 15 15 PHE HD1 H 1 7.253 0.04 . 1 . . . . . 15 PHE HD1 . 50711 1 158 . 1 . 1 15 15 PHE HD2 H 1 7.253 0.04 . 1 . . . . . 15 PHE HD2 . 50711 1 159 . 1 . 1 15 15 PHE HE1 H 1 6.986 0.04 . 1 . . . . . 15 PHE HE1 . 50711 1 160 . 1 . 1 15 15 PHE HE2 H 1 6.986 0.04 . 1 . . . . . 15 PHE HE2 . 50711 1 161 . 1 . 1 15 15 PHE C C 13 175.281 0.4 . 1 . . . . . 15 PHE C . 50711 1 162 . 1 . 1 15 15 PHE CA C 13 60.316 0.4 . 1 . . . . . 15 PHE CA . 50711 1 163 . 1 . 1 15 15 PHE CB C 13 39.018 0.4 . 1 . . . . . 15 PHE CB . 50711 1 164 . 1 . 1 15 15 PHE CD1 C 13 131.977 0.4 . 1 . . . . . 15 PHE CD1 . 50711 1 165 . 1 . 1 15 15 PHE CD2 C 13 131.977 0.4 . 1 . . . . . 15 PHE CD2 . 50711 1 166 . 1 . 1 15 15 PHE CE1 C 13 131.228 0.4 . 1 . . . . . 15 PHE CE1 . 50711 1 167 . 1 . 1 15 15 PHE CE2 C 13 131.228 0.4 . 1 . . . . . 15 PHE CE2 . 50711 1 168 . 1 . 1 15 15 PHE N N 15 110.672 0.2 . 1 . . . . . 15 PHE N . 50711 1 169 . 1 . 1 16 16 LYS H H 1 7.352 0.04 . 1 . . . . . 16 LYS H . 50711 1 170 . 1 . 1 16 16 LYS C C 13 176.744 0.4 . 1 . . . . . 16 LYS C . 50711 1 171 . 1 . 1 16 16 LYS CA C 13 59.469 0.4 . 1 . . . . . 16 LYS CA . 50711 1 172 . 1 . 1 16 16 LYS CB C 13 32.112 0.4 . 1 . . . . . 16 LYS CB . 50711 1 173 . 1 . 1 16 16 LYS N N 15 121.913 0.2 . 1 . . . . . 16 LYS N . 50711 1 174 . 1 . 1 17 17 ASP C C 13 175.118 0.4 . 1 . . . . . 17 ASP C . 50711 1 175 . 1 . 1 18 18 LYS H H 1 7.458 0.04 . 1 . . . . . 18 LYS H . 50711 1 176 . 1 . 1 18 18 LYS HA H 1 4.621 0.04 . 1 . . . . . 18 LYS HA . 50711 1 177 . 1 . 1 18 18 LYS HB2 H 1 1.505 0.04 . 2 . . . . . 18 LYS HB2 . 50711 1 178 . 1 . 1 18 18 LYS HB3 H 1 1.942 0.04 . 2 . . . . . 18 LYS HB3 . 50711 1 179 . 1 . 1 18 18 LYS HG2 H 1 1.108 0.04 . 2 . . . . . 18 LYS HG2 . 50711 1 180 . 1 . 1 18 18 LYS HG3 H 1 1.289 0.04 . 2 . . . . . 18 LYS HG3 . 50711 1 181 . 1 . 1 18 18 LYS HD2 H 1 0.878 0.04 . 2 . . . . . 18 LYS HD2 . 50711 1 182 . 1 . 1 18 18 LYS HD3 H 1 1.452 0.04 . 2 . . . . . 18 LYS HD3 . 50711 1 183 . 1 . 1 18 18 LYS HE2 H 1 2.173 0.04 . 2 . . . . . 18 LYS HE2 . 50711 1 184 . 1 . 1 18 18 LYS HE3 H 1 2.459 0.04 . 2 . . . . . 18 LYS HE3 . 50711 1 185 . 1 . 1 18 18 LYS C C 13 175.579 0.4 . 1 . . . . . 18 LYS C . 50711 1 186 . 1 . 1 18 18 LYS CA C 13 54.970 0.4 . 1 . . . . . 18 LYS CA . 50711 1 187 . 1 . 1 18 18 LYS CB C 13 36.681 0.4 . 1 . . . . . 18 LYS CB . 50711 1 188 . 1 . 1 18 18 LYS CG C 13 24.718 0.4 . 1 . . . . . 18 LYS CG . 50711 1 189 . 1 . 1 18 18 LYS CD C 13 29.004 0.4 . 1 . . . . . 18 LYS CD . 50711 1 190 . 1 . 1 18 18 LYS CE C 13 42.075 0.4 . 1 . . . . . 18 LYS CE . 50711 1 191 . 1 . 1 18 18 LYS N N 15 118.520 0.2 . 1 . . . . . 18 LYS N . 50711 1 192 . 1 . 1 19 19 THR H H 1 8.255 0.04 . 1 . . . . . 19 THR H . 50711 1 193 . 1 . 1 19 19 THR HA H 1 4.217 0.04 . 1 . . . . . 19 THR HA . 50711 1 194 . 1 . 1 19 19 THR HB H 1 3.955 0.04 . 1 . . . . . 19 THR HB . 50711 1 195 . 1 . 1 19 19 THR HG21 H 1 1.152 0.04 . 1 . . . . . 19 THR HG2* . 50711 1 196 . 1 . 1 19 19 THR HG22 H 1 1.152 0.04 . 1 . . . . . 19 THR HG2* . 50711 1 197 . 1 . 1 19 19 THR HG23 H 1 1.152 0.04 . 1 . . . . . 19 THR HG2* . 50711 1 198 . 1 . 1 19 19 THR C C 13 174.279 0.4 . 1 . . . . . 19 THR C . 50711 1 199 . 1 . 1 19 19 THR CA C 13 62.122 0.4 . 1 . . . . . 19 THR CA . 50711 1 200 . 1 . 1 19 19 THR CB C 13 69.824 0.4 . 1 . . . . . 19 THR CB . 50711 1 201 . 1 . 1 19 19 THR CG2 C 13 21.799 0.4 . 1 . . . . . 19 THR CG2 . 50711 1 202 . 1 . 1 19 19 THR N N 15 116.263 0.2 . 1 . . . . . 19 THR N . 50711 1 203 . 1 . 1 20 20 LEU H H 1 8.563 0.04 . 1 . . . . . 20 LEU H . 50711 1 204 . 1 . 1 20 20 LEU HA H 1 4.138 0.04 . 1 . . . . . 20 LEU HA . 50711 1 205 . 1 . 1 20 20 LEU HB2 H 1 0.866 0.04 . 2 . . . . . 20 LEU HB2 . 50711 1 206 . 1 . 1 20 20 LEU HB3 H 1 1.425 0.04 . 2 . . . . . 20 LEU HB3 . 50711 1 207 . 1 . 1 20 20 LEU HG H 1 1.393 0.04 . 1 . . . . . 20 LEU HG . 50711 1 208 . 1 . 1 20 20 LEU HD11 H 1 0.228 0.04 . 2 . . . . . 20 LEU HD1* . 50711 1 209 . 1 . 1 20 20 LEU HD12 H 1 0.228 0.04 . 2 . . . . . 20 LEU HD1* . 50711 1 210 . 1 . 1 20 20 LEU HD13 H 1 0.228 0.04 . 2 . . . . . 20 LEU HD1* . 50711 1 211 . 1 . 1 20 20 LEU HD21 H 1 0.576 0.04 . 2 . . . . . 20 LEU HD2* . 50711 1 212 . 1 . 1 20 20 LEU HD22 H 1 0.576 0.04 . 2 . . . . . 20 LEU HD2* . 50711 1 213 . 1 . 1 20 20 LEU HD23 H 1 0.576 0.04 . 2 . . . . . 20 LEU HD2* . 50711 1 214 . 1 . 1 20 20 LEU C C 13 174.007 0.4 . 1 . . . . . 20 LEU C . 50711 1 215 . 1 . 1 20 20 LEU CA C 13 52.724 0.4 . 1 . . . . . 20 LEU CA . 50711 1 216 . 1 . 1 20 20 LEU CB C 13 41.660 0.4 . 1 . . . . . 20 LEU CB . 50711 1 217 . 1 . 1 20 20 LEU CG C 13 27.116 0.4 . 1 . . . . . 20 LEU CG . 50711 1 218 . 1 . 1 20 20 LEU CD1 C 13 23.987 0.4 . 2 . . . . . 20 LEU CD1 . 50711 1 219 . 1 . 1 20 20 LEU CD2 C 13 25.637 0.4 . 2 . . . . . 20 LEU CD2 . 50711 1 220 . 1 . 1 20 20 LEU N N 15 127.127 0.2 . 1 . . . . . 20 LEU N . 50711 1 221 . 1 . 1 22 22 PRO HA H 1 4.026 0.04 . 1 . . . . . 22 PRO HA . 50711 1 222 . 1 . 1 22 22 PRO HB2 H 1 1.921 0.04 . 2 . . . . . 22 PRO HB2 . 50711 1 223 . 1 . 1 22 22 PRO HB3 H 1 2.315 0.04 . 2 . . . . . 22 PRO HB3 . 50711 1 224 . 1 . 1 22 22 PRO HG2 H 1 2.008 0.04 . 2 . . . . . 22 PRO HG2 . 50711 1 225 . 1 . 1 22 22 PRO HG3 H 1 2.077 0.04 . 2 . . . . . 22 PRO HG3 . 50711 1 226 . 1 . 1 22 22 PRO HD2 H 1 3.810 0.04 . 2 . . . . . 22 PRO HD2 . 50711 1 227 . 1 . 1 22 22 PRO HD3 H 1 3.881 0.04 . 2 . . . . . 22 PRO HD3 . 50711 1 228 . 1 . 1 22 22 PRO C C 13 179.490 0.4 . 1 . . . . . 22 PRO C . 50711 1 229 . 1 . 1 22 22 PRO CA C 13 65.756 0.4 . 1 . . . . . 22 PRO CA . 50711 1 230 . 1 . 1 22 22 PRO CB C 13 32.283 0.4 . 1 . . . . . 22 PRO CB . 50711 1 231 . 1 . 1 22 22 PRO CG C 13 27.523 0.4 . 1 . . . . . 22 PRO CG . 50711 1 232 . 1 . 1 22 22 PRO CD C 13 50.774 0.4 . 1 . . . . . 22 PRO CD . 50711 1 233 . 1 . 1 23 23 LYS H H 1 8.665 0.04 . 1 . . . . . 23 LYS H . 50711 1 234 . 1 . 1 23 23 LYS HA H 1 4.074 0.04 . 1 . . . . . 23 LYS HA . 50711 1 235 . 1 . 1 23 23 LYS HB2 H 1 1.819 0.04 . 2 . . . . . 23 LYS HB2 . 50711 1 236 . 1 . 1 23 23 LYS HB3 H 1 1.873 0.04 . 2 . . . . . 23 LYS HB3 . 50711 1 237 . 1 . 1 23 23 LYS HG2 H 1 1.402 0.04 . 2 . . . . . 23 LYS HG2 . 50711 1 238 . 1 . 1 23 23 LYS HG3 H 1 1.486 0.04 . 2 . . . . . 23 LYS HG3 . 50711 1 239 . 1 . 1 23 23 LYS HD2 H 1 1.655 0.04 . 1 . . . . . 23 LYS HD2 . 50711 1 240 . 1 . 1 23 23 LYS HD3 H 1 1.655 0.04 . 1 . . . . . 23 LYS HD3 . 50711 1 241 . 1 . 1 23 23 LYS HE2 H 1 2.946 0.04 . 1 . . . . . 23 LYS HE2 . 50711 1 242 . 1 . 1 23 23 LYS HE3 H 1 2.946 0.04 . 1 . . . . . 23 LYS HE3 . 50711 1 243 . 1 . 1 23 23 LYS C C 13 177.732 0.4 . 1 . . . . . 23 LYS C . 50711 1 244 . 1 . 1 23 23 LYS CA C 13 59.156 0.4 . 1 . . . . . 23 LYS CA . 50711 1 245 . 1 . 1 23 23 LYS CB C 13 32.345 0.4 . 1 . . . . . 23 LYS CB . 50711 1 246 . 1 . 1 23 23 LYS CG C 13 25.367 0.4 . 1 . . . . . 23 LYS CG . 50711 1 247 . 1 . 1 23 23 LYS CD C 13 29.105 0.4 . 1 . . . . . 23 LYS CD . 50711 1 248 . 1 . 1 23 23 LYS CE C 13 42.062 0.4 . 1 . . . . . 23 LYS CE . 50711 1 249 . 1 . 1 23 23 LYS N N 15 116.064 0.2 . 1 . . . . . 23 LYS N . 50711 1 250 . 1 . 1 24 24 GLU H H 1 7.342 0.04 . 1 . . . . . 24 GLU H . 50711 1 251 . 1 . 1 24 24 GLU HA H 1 4.873 0.04 . 1 . . . . . 24 GLU HA . 50711 1 252 . 1 . 1 24 24 GLU HB2 H 1 1.843 0.04 . 2 . . . . . 24 GLU HB2 . 50711 1 253 . 1 . 1 24 24 GLU HB3 H 1 2.367 0.04 . 2 . . . . . 24 GLU HB3 . 50711 1 254 . 1 . 1 24 24 GLU HG2 H 1 2.205 0.04 . 2 . . . . . 24 GLU HG2 . 50711 1 255 . 1 . 1 24 24 GLU HG3 H 1 2.270 0.04 . 2 . . . . . 24 GLU HG3 . 50711 1 256 . 1 . 1 24 24 GLU C C 13 175.673 0.4 . 1 . . . . . 24 GLU C . 50711 1 257 . 1 . 1 24 24 GLU CA C 13 55.461 0.4 . 1 . . . . . 24 GLU CA . 50711 1 258 . 1 . 1 24 24 GLU CB C 13 30.760 0.4 . 1 . . . . . 24 GLU CB . 50711 1 259 . 1 . 1 24 24 GLU CG C 13 36.830 0.4 . 1 . . . . . 24 GLU CG . 50711 1 260 . 1 . 1 24 24 GLU N N 15 113.960 0.2 . 1 . . . . . 24 GLU N . 50711 1 261 . 1 . 1 25 25 LYS H H 1 7.320 0.04 . 1 . . . . . 25 LYS H . 50711 1 262 . 1 . 1 25 25 LYS HA H 1 3.531 0.04 . 1 . . . . . 25 LYS HA . 50711 1 263 . 1 . 1 25 25 LYS HB2 H 1 1.705 0.04 . 2 . . . . . 25 LYS HB2 . 50711 1 264 . 1 . 1 25 25 LYS HB3 H 1 1.776 0.04 . 2 . . . . . 25 LYS HB3 . 50711 1 265 . 1 . 1 25 25 LYS HG2 H 1 1.209 0.04 . 2 . . . . . 25 LYS HG2 . 50711 1 266 . 1 . 1 25 25 LYS HG3 H 1 1.259 0.04 . 2 . . . . . 25 LYS HG3 . 50711 1 267 . 1 . 1 25 25 LYS HD2 H 1 1.558 0.04 . 1 . . . . . 25 LYS HD2 . 50711 1 268 . 1 . 1 25 25 LYS HD3 H 1 1.558 0.04 . 1 . . . . . 25 LYS HD3 . 50711 1 269 . 1 . 1 25 25 LYS HE2 H 1 2.856 0.04 . 1 . . . . . 25 LYS HE2 . 50711 1 270 . 1 . 1 25 25 LYS HE3 H 1 2.856 0.04 . 1 . . . . . 25 LYS HE3 . 50711 1 271 . 1 . 1 25 25 LYS C C 13 178.129 0.4 . 1 . . . . . 25 LYS C . 50711 1 272 . 1 . 1 25 25 LYS CA C 13 60.751 0.4 . 1 . . . . . 25 LYS CA . 50711 1 273 . 1 . 1 25 25 LYS CB C 13 32.374 0.4 . 1 . . . . . 25 LYS CB . 50711 1 274 . 1 . 1 25 25 LYS CG C 13 24.215 0.4 . 1 . . . . . 25 LYS CG . 50711 1 275 . 1 . 1 25 25 LYS CD C 13 29.645 0.4 . 1 . . . . . 25 LYS CD . 50711 1 276 . 1 . 1 25 25 LYS CE C 13 42.002 0.4 . 1 . . . . . 25 LYS CE . 50711 1 277 . 1 . 1 25 25 LYS N N 15 121.533 0.2 . 1 . . . . . 25 LYS N . 50711 1 278 . 1 . 1 26 26 SER H H 1 8.664 0.04 . 1 . . . . . 26 SER H . 50711 1 279 . 1 . 1 26 26 SER CA C 13 62.069 0.4 . 1 . . . . . 26 SER CA . 50711 1 280 . 1 . 1 26 26 SER N N 15 115.546 0.2 . 1 . . . . . 26 SER N . 50711 1 281 . 1 . 1 27 27 TYR H H 1 7.957 0.04 . 1 . . . . . 27 TYR H . 50711 1 282 . 1 . 1 27 27 TYR HA H 1 4.301 0.04 . 1 . . . . . 27 TYR HA . 50711 1 283 . 1 . 1 27 27 TYR HB2 H 1 2.738 0.04 . 2 . . . . . 27 TYR HB2 . 50711 1 284 . 1 . 1 27 27 TYR HB3 H 1 3.185 0.04 . 2 . . . . . 27 TYR HB3 . 50711 1 285 . 1 . 1 27 27 TYR HD1 H 1 6.975 0.04 . 1 . . . . . 27 TYR HD1 . 50711 1 286 . 1 . 1 27 27 TYR HD2 H 1 6.975 0.04 . 1 . . . . . 27 TYR HD2 . 50711 1 287 . 1 . 1 27 27 TYR HE1 H 1 6.546 0.04 . 1 . . . . . 27 TYR HE1 . 50711 1 288 . 1 . 1 27 27 TYR HE2 H 1 6.546 0.04 . 1 . . . . . 27 TYR HE2 . 50711 1 289 . 1 . 1 27 27 TYR C C 13 177.298 0.4 . 1 . . . . . 27 TYR C . 50711 1 290 . 1 . 1 27 27 TYR CA C 13 60.009 0.4 . 1 . . . . . 27 TYR CA . 50711 1 291 . 1 . 1 27 27 TYR CB C 13 38.604 0.4 . 1 . . . . . 27 TYR CB . 50711 1 292 . 1 . 1 27 27 TYR CD1 C 13 132.893 0.4 . 1 . . . . . 27 TYR CD1 . 50711 1 293 . 1 . 1 27 27 TYR CD2 C 13 132.893 0.4 . 1 . . . . . 27 TYR CD2 . 50711 1 294 . 1 . 1 27 27 TYR CE1 C 13 117.727 0.4 . 1 . . . . . 27 TYR CE1 . 50711 1 295 . 1 . 1 27 27 TYR CE2 C 13 117.727 0.4 . 1 . . . . . 27 TYR CE2 . 50711 1 296 . 1 . 1 27 27 TYR N N 15 123.267 0.2 . 1 . . . . . 27 TYR N . 50711 1 297 . 1 . 1 28 28 LEU H H 1 8.479 0.04 . 1 . . . . . 28 LEU H . 50711 1 298 . 1 . 1 28 28 LEU HA H 1 3.508 0.04 . 1 . . . . . 28 LEU HA . 50711 1 299 . 1 . 1 28 28 LEU HB2 H 1 0.856 0.04 . 2 . . . . . 28 LEU HB2 . 50711 1 300 . 1 . 1 28 28 LEU HB3 H 1 1.555 0.04 . 2 . . . . . 28 LEU HB3 . 50711 1 301 . 1 . 1 28 28 LEU HG H 1 1.829 0.04 . 1 . . . . . 28 LEU HG . 50711 1 302 . 1 . 1 28 28 LEU HD11 H 1 0.343 0.04 . 2 . . . . . 28 LEU HD1* . 50711 1 303 . 1 . 1 28 28 LEU HD12 H 1 0.343 0.04 . 2 . . . . . 28 LEU HD1* . 50711 1 304 . 1 . 1 28 28 LEU HD13 H 1 0.343 0.04 . 2 . . . . . 28 LEU HD1* . 50711 1 305 . 1 . 1 28 28 LEU HD21 H 1 0.677 0.04 . 2 . . . . . 28 LEU HD2* . 50711 1 306 . 1 . 1 28 28 LEU HD22 H 1 0.677 0.04 . 2 . . . . . 28 LEU HD2* . 50711 1 307 . 1 . 1 28 28 LEU HD23 H 1 0.677 0.04 . 2 . . . . . 28 LEU HD2* . 50711 1 308 . 1 . 1 28 28 LEU C C 13 179.506 0.4 . 1 . . . . . 28 LEU C . 50711 1 309 . 1 . 1 28 28 LEU CA C 13 57.780 0.4 . 1 . . . . . 28 LEU CA . 50711 1 310 . 1 . 1 28 28 LEU CB C 13 41.611 0.4 . 1 . . . . . 28 LEU CB . 50711 1 311 . 1 . 1 28 28 LEU CG C 13 26.929 0.4 . 1 . . . . . 28 LEU CG . 50711 1 312 . 1 . 1 28 28 LEU CD1 C 13 26.049 0.4 . 2 . . . . . 28 LEU CD1 . 50711 1 313 . 1 . 1 28 28 LEU CD2 C 13 22.334 0.4 . 2 . . . . . 28 LEU CD2 . 50711 1 314 . 1 . 1 28 28 LEU N N 15 116.535 0.2 . 1 . . . . . 28 LEU N . 50711 1 315 . 1 . 1 29 29 SER H H 1 8.281 0.04 . 1 . . . . . 29 SER H . 50711 1 316 . 1 . 1 29 29 SER C C 13 177.312 0.4 . 1 . . . . . 29 SER C . 50711 1 317 . 1 . 1 29 29 SER CA C 13 62.512 0.4 . 1 . . . . . 29 SER CA . 50711 1 318 . 1 . 1 29 29 SER N N 15 114.096 0.2 . 1 . . . . . 29 SER N . 50711 1 319 . 1 . 1 30 30 GLN H H 1 7.906 0.04 . 1 . . . . . 30 GLN H . 50711 1 320 . 1 . 1 30 30 GLN HA H 1 3.999 0.04 . 1 . . . . . 30 GLN HA . 50711 1 321 . 1 . 1 30 30 GLN HB2 H 1 1.801 0.04 . 2 . . . . . 30 GLN HB2 . 50711 1 322 . 1 . 1 30 30 GLN HB3 H 1 2.167 0.04 . 2 . . . . . 30 GLN HB3 . 50711 1 323 . 1 . 1 30 30 GLN HG2 H 1 2.162 0.04 . 2 . . . . . 30 GLN HG2 . 50711 1 324 . 1 . 1 30 30 GLN HG3 H 1 2.551 0.04 . 2 . . . . . 30 GLN HG3 . 50711 1 325 . 1 . 1 30 30 GLN HE21 H 1 6.709 0.04 . 2 . . . . . 30 GLN HE21 . 50711 1 326 . 1 . 1 30 30 GLN HE22 H 1 7.102 0.04 . 2 . . . . . 30 GLN HE22 . 50711 1 327 . 1 . 1 30 30 GLN C C 13 179.134 0.4 . 1 . . . . . 30 GLN C . 50711 1 328 . 1 . 1 30 30 GLN CA C 13 58.929 0.4 . 1 . . . . . 30 GLN CA . 50711 1 329 . 1 . 1 30 30 GLN CB C 13 28.418 0.4 . 1 . . . . . 30 GLN CB . 50711 1 330 . 1 . 1 30 30 GLN CG C 13 34.230 0.4 . 1 . . . . . 30 GLN CG . 50711 1 331 . 1 . 1 30 30 GLN N N 15 122.992 0.2 . 1 . . . . . 30 GLN N . 50711 1 332 . 1 . 1 30 30 GLN NE2 N 15 110.867 0.2 . 1 . . . . . 30 GLN NE2 . 50711 1 333 . 1 . 1 31 31 LEU H H 1 7.742 0.04 . 1 . . . . . 31 LEU H . 50711 1 334 . 1 . 1 31 31 LEU HA H 1 3.750 0.04 . 1 . . . . . 31 LEU HA . 50711 1 335 . 1 . 1 31 31 LEU HB2 H 1 0.487 0.04 . 2 . . . . . 31 LEU HB2 . 50711 1 336 . 1 . 1 31 31 LEU HB3 H 1 1.395 0.04 . 2 . . . . . 31 LEU HB3 . 50711 1 337 . 1 . 1 31 31 LEU HD11 H 1 -0.190 0.04 . 2 . . . . . 31 LEU HD1* . 50711 1 338 . 1 . 1 31 31 LEU HD12 H 1 -0.190 0.04 . 2 . . . . . 31 LEU HD1* . 50711 1 339 . 1 . 1 31 31 LEU HD13 H 1 -0.190 0.04 . 2 . . . . . 31 LEU HD1* . 50711 1 340 . 1 . 1 31 31 LEU HD21 H 1 -0.375 0.04 . 2 . . . . . 31 LEU HD2* . 50711 1 341 . 1 . 1 31 31 LEU HD22 H 1 -0.375 0.04 . 2 . . . . . 31 LEU HD2* . 50711 1 342 . 1 . 1 31 31 LEU HD23 H 1 -0.375 0.04 . 2 . . . . . 31 LEU HD2* . 50711 1 343 . 1 . 1 31 31 LEU C C 13 181.226 0.4 . 1 . . . . . 31 LEU C . 50711 1 344 . 1 . 1 31 31 LEU CA C 13 57.463 0.4 . 1 . . . . . 31 LEU CA . 50711 1 345 . 1 . 1 31 31 LEU CB C 13 41.363 0.4 . 1 . . . . . 31 LEU CB . 50711 1 346 . 1 . 1 31 31 LEU CD1 C 13 21.560 0.4 . 2 . . . . . 31 LEU CD1 . 50711 1 347 . 1 . 1 31 31 LEU CD2 C 13 25.783 0.4 . 2 . . . . . 31 LEU CD2 . 50711 1 348 . 1 . 1 31 31 LEU N N 15 120.477 0.2 . 1 . . . . . 31 LEU N . 50711 1 349 . 1 . 1 32 32 MET H H 1 8.298 0.04 . 1 . . . . . 32 MET H . 50711 1 350 . 1 . 1 32 32 MET HA H 1 3.912 0.04 . 1 . . . . . 32 MET HA . 50711 1 351 . 1 . 1 32 32 MET HB2 H 1 1.979 0.04 . 2 . . . . . 32 MET HB2 . 50711 1 352 . 1 . 1 32 32 MET HB3 H 1 2.204 0.04 . 2 . . . . . 32 MET HB3 . 50711 1 353 . 1 . 1 32 32 MET HG2 H 1 2.289 0.04 . 2 . . . . . 32 MET HG2 . 50711 1 354 . 1 . 1 32 32 MET HG3 H 1 2.883 0.04 . 2 . . . . . 32 MET HG3 . 50711 1 355 . 1 . 1 32 32 MET C C 13 176.893 0.4 . 1 . . . . . 32 MET C . 50711 1 356 . 1 . 1 32 32 MET CA C 13 60.430 0.4 . 1 . . . . . 32 MET CA . 50711 1 357 . 1 . 1 32 32 MET CB C 13 33.893 0.4 . 1 . . . . . 32 MET CB . 50711 1 358 . 1 . 1 32 32 MET CG C 13 34.261 0.4 . 1 . . . . . 32 MET CG . 50711 1 359 . 1 . 1 32 32 MET N N 15 117.384 0.2 . 1 . . . . . 32 MET N . 50711 1 360 . 1 . 1 33 33 SER H H 1 7.928 0.04 . 1 . . . . . 33 SER H . 50711 1 361 . 1 . 1 33 33 SER HA H 1 4.435 0.04 . 1 . . . . . 33 SER HA . 50711 1 362 . 1 . 1 33 33 SER HB2 H 1 3.908 0.04 . 2 . . . . . 33 SER HB2 . 50711 1 363 . 1 . 1 33 33 SER HB3 H 1 4.008 0.04 . 2 . . . . . 33 SER HB3 . 50711 1 364 . 1 . 1 33 33 SER C C 13 175.647 0.4 . 1 . . . . . 33 SER C . 50711 1 365 . 1 . 1 33 33 SER CA C 13 58.950 0.4 . 1 . . . . . 33 SER CA . 50711 1 366 . 1 . 1 33 33 SER CB C 13 64.301 0.4 . 1 . . . . . 33 SER CB . 50711 1 367 . 1 . 1 33 33 SER N N 15 111.062 0.2 . 1 . . . . . 33 SER N . 50711 1 368 . 1 . 1 34 34 GLY H H 1 7.455 0.04 . 1 . . . . . 34 GLY H . 50711 1 369 . 1 . 1 34 34 GLY HA2 H 1 4.092 0.04 . 2 . . . . . 34 GLY HA2 . 50711 1 370 . 1 . 1 34 34 GLY HA3 H 1 4.205 0.04 . 2 . . . . . 34 GLY HA3 . 50711 1 371 . 1 . 1 34 34 GLY C C 13 174.049 0.4 . 1 . . . . . 34 GLY C . 50711 1 372 . 1 . 1 34 34 GLY CA C 13 45.383 0.4 . 1 . . . . . 34 GLY CA . 50711 1 373 . 1 . 1 34 34 GLY N N 15 109.145 0.2 . 1 . . . . . 34 GLY N . 50711 1 374 . 1 . 1 35 35 ARG H H 1 8.010 0.04 . 1 . . . . . 35 ARG H . 50711 1 375 . 1 . 1 35 35 ARG HA H 1 4.124 0.04 . 1 . . . . . 35 ARG HA . 50711 1 376 . 1 . 1 35 35 ARG HB2 H 1 1.512 0.04 . 2 . . . . . 35 ARG HB2 . 50711 1 377 . 1 . 1 35 35 ARG HB3 H 1 1.839 0.04 . 2 . . . . . 35 ARG HB3 . 50711 1 378 . 1 . 1 35 35 ARG HG2 H 1 1.515 0.04 . 2 . . . . . 35 ARG HG2 . 50711 1 379 . 1 . 1 35 35 ARG HG3 H 1 1.589 0.04 . 2 . . . . . 35 ARG HG3 . 50711 1 380 . 1 . 1 35 35 ARG HD2 H 1 3.109 0.04 . 1 . . . . . 35 ARG HD2 . 50711 1 381 . 1 . 1 35 35 ARG HD3 H 1 3.109 0.04 . 1 . . . . . 35 ARG HD3 . 50711 1 382 . 1 . 1 35 35 ARG C C 13 175.467 0.4 . 1 . . . . . 35 ARG C . 50711 1 383 . 1 . 1 35 35 ARG CA C 13 57.190 0.4 . 1 . . . . . 35 ARG CA . 50711 1 384 . 1 . 1 35 35 ARG CB C 13 30.722 0.4 . 1 . . . . . 35 ARG CB . 50711 1 385 . 1 . 1 35 35 ARG CG C 13 27.597 0.4 . 1 . . . . . 35 ARG CG . 50711 1 386 . 1 . 1 35 35 ARG CD C 13 43.013 0.4 . 1 . . . . . 35 ARG CD . 50711 1 387 . 1 . 1 35 35 ARG N N 15 120.088 0.2 . 1 . . . . . 35 ARG N . 50711 1 388 . 1 . 1 36 36 ALA H H 1 7.047 0.04 . 1 . . . . . 36 ALA H . 50711 1 389 . 1 . 1 36 36 ALA HA H 1 4.520 0.04 . 1 . . . . . 36 ALA HA . 50711 1 390 . 1 . 1 36 36 ALA HB1 H 1 1.074 0.04 . 1 . . . . . 36 ALA HB* . 50711 1 391 . 1 . 1 36 36 ALA HB2 H 1 1.074 0.04 . 1 . . . . . 36 ALA HB* . 50711 1 392 . 1 . 1 36 36 ALA HB3 H 1 1.074 0.04 . 1 . . . . . 36 ALA HB* . 50711 1 393 . 1 . 1 36 36 ALA C C 13 175.984 0.4 . 1 . . . . . 36 ALA C . 50711 1 394 . 1 . 1 36 36 ALA CA C 13 50.145 0.4 . 1 . . . . . 36 ALA CA . 50711 1 395 . 1 . 1 36 36 ALA CB C 13 21.250 0.4 . 1 . . . . . 36 ALA CB . 50711 1 396 . 1 . 1 36 36 ALA N N 15 119.422 0.2 . 1 . . . . . 36 ALA N . 50711 1 397 . 1 . 1 37 37 SER H H 1 8.465 0.04 . 1 . . . . . 37 SER H . 50711 1 398 . 1 . 1 37 37 SER HA H 1 4.187 0.04 . 1 . . . . . 37 SER HA . 50711 1 399 . 1 . 1 37 37 SER HB2 H 1 3.773 0.04 . 1 . . . . . 37 SER HB2 . 50711 1 400 . 1 . 1 37 37 SER HB3 H 1 3.773 0.04 . 1 . . . . . 37 SER HB3 . 50711 1 401 . 1 . 1 37 37 SER C C 13 173.404 0.4 . 1 . . . . . 37 SER C . 50711 1 402 . 1 . 1 37 37 SER CA C 13 58.670 0.4 . 1 . . . . . 37 SER CA . 50711 1 403 . 1 . 1 37 37 SER CB C 13 63.333 0.4 . 1 . . . . . 37 SER CB . 50711 1 404 . 1 . 1 37 37 SER N N 15 116.582 0.2 . 1 . . . . . 37 SER N . 50711 1 405 . 1 . 1 38 38 PHE H H 1 8.648 0.04 . 1 . . . . . 38 PHE H . 50711 1 406 . 1 . 1 38 38 PHE HA H 1 4.783 0.04 . 1 . . . . . 38 PHE HA . 50711 1 407 . 1 . 1 38 38 PHE HB2 H 1 2.887 0.04 . 2 . . . . . 38 PHE HB2 . 50711 1 408 . 1 . 1 38 38 PHE HB3 H 1 3.799 0.04 . 2 . . . . . 38 PHE HB3 . 50711 1 409 . 1 . 1 38 38 PHE HD1 H 1 7.001 0.04 . 1 . . . . . 38 PHE HD1 . 50711 1 410 . 1 . 1 38 38 PHE HD2 H 1 7.001 0.04 . 1 . . . . . 38 PHE HD2 . 50711 1 411 . 1 . 1 38 38 PHE HE1 H 1 6.924 0.04 . 1 . . . . . 38 PHE HE1 . 50711 1 412 . 1 . 1 38 38 PHE HE2 H 1 6.924 0.04 . 1 . . . . . 38 PHE HE2 . 50711 1 413 . 1 . 1 38 38 PHE C C 13 174.864 0.4 . 1 . . . . . 38 PHE C . 50711 1 414 . 1 . 1 38 38 PHE CA C 13 54.361 0.4 . 1 . . . . . 38 PHE CA . 50711 1 415 . 1 . 1 38 38 PHE CB C 13 37.333 0.4 . 1 . . . . . 38 PHE CB . 50711 1 416 . 1 . 1 38 38 PHE CD1 C 13 130.304 0.4 . 1 . . . . . 38 PHE CD1 . 50711 1 417 . 1 . 1 38 38 PHE CD2 C 13 130.304 0.4 . 1 . . . . . 38 PHE CD2 . 50711 1 418 . 1 . 1 38 38 PHE CE1 C 13 130.923 0.4 . 1 . . . . . 38 PHE CE1 . 50711 1 419 . 1 . 1 38 38 PHE CE2 C 13 130.923 0.4 . 1 . . . . . 38 PHE CE2 . 50711 1 420 . 1 . 1 38 38 PHE N N 15 129.132 0.2 . 1 . . . . . 38 PHE N . 50711 1 421 . 1 . 1 39 39 GLY H H 1 8.152 0.04 . 1 . . . . . 39 GLY H . 50711 1 422 . 1 . 1 39 39 GLY C C 13 173.170 0.4 . 1 . . . . . 39 GLY C . 50711 1 423 . 1 . 1 39 39 GLY CA C 13 44.998 0.4 . 1 . . . . . 39 GLY CA . 50711 1 424 . 1 . 1 39 39 GLY N N 15 109.965 0.2 . 1 . . . . . 39 GLY N . 50711 1 425 . 1 . 1 40 40 GLU C C 13 177.669 0.4 . 1 . . . . . 40 GLU C . 50711 1 426 . 1 . 1 40 40 GLU CA C 13 60.376 0.4 . 1 . . . . . 40 GLU CA . 50711 1 427 . 1 . 1 40 40 GLU CB C 13 30.151 0.4 . 1 . . . . . 40 GLU CB . 50711 1 428 . 1 . 1 41 41 LYS H H 1 8.292 0.04 . 1 . . . . . 41 LYS H . 50711 1 429 . 1 . 1 41 41 LYS HA H 1 3.885 0.04 . 1 . . . . . 41 LYS HA . 50711 1 430 . 1 . 1 41 41 LYS HB2 H 1 1.719 0.04 . 2 . . . . . 41 LYS HB2 . 50711 1 431 . 1 . 1 41 41 LYS HB3 H 1 1.817 0.04 . 2 . . . . . 41 LYS HB3 . 50711 1 432 . 1 . 1 41 41 LYS HG2 H 1 1.390 0.04 . 2 . . . . . 41 LYS HG2 . 50711 1 433 . 1 . 1 41 41 LYS HG3 H 1 1.540 0.04 . 2 . . . . . 41 LYS HG3 . 50711 1 434 . 1 . 1 41 41 LYS HD2 H 1 1.634 0.04 . 1 . . . . . 41 LYS HD2 . 50711 1 435 . 1 . 1 41 41 LYS HD3 H 1 1.634 0.04 . 1 . . . . . 41 LYS HD3 . 50711 1 436 . 1 . 1 41 41 LYS HE2 H 1 2.941 0.04 . 1 . . . . . 41 LYS HE2 . 50711 1 437 . 1 . 1 41 41 LYS HE3 H 1 2.941 0.04 . 1 . . . . . 41 LYS HE3 . 50711 1 438 . 1 . 1 41 41 LYS C C 13 180.160 0.4 . 1 . . . . . 41 LYS C . 50711 1 439 . 1 . 1 41 41 LYS CA C 13 59.565 0.4 . 1 . . . . . 41 LYS CA . 50711 1 440 . 1 . 1 41 41 LYS CB C 13 31.528 0.4 . 1 . . . . . 41 LYS CB . 50711 1 441 . 1 . 1 41 41 LYS CG C 13 25.521 0.4 . 1 . . . . . 41 LYS CG . 50711 1 442 . 1 . 1 41 41 LYS CD C 13 29.081 0.4 . 1 . . . . . 41 LYS CD . 50711 1 443 . 1 . 1 41 41 LYS CE C 13 42.098 0.4 . 1 . . . . . 41 LYS CE . 50711 1 444 . 1 . 1 41 41 LYS N N 15 117.401 0.2 . 1 . . . . . 41 LYS N . 50711 1 445 . 1 . 1 42 42 ALA H H 1 7.880 0.04 . 1 . . . . . 42 ALA H . 50711 1 446 . 1 . 1 42 42 ALA HA H 1 4.124 0.04 . 1 . . . . . 42 ALA HA . 50711 1 447 . 1 . 1 42 42 ALA HB1 H 1 1.505 0.04 . 1 . . . . . 42 ALA HB* . 50711 1 448 . 1 . 1 42 42 ALA HB2 H 1 1.505 0.04 . 1 . . . . . 42 ALA HB* . 50711 1 449 . 1 . 1 42 42 ALA HB3 H 1 1.505 0.04 . 1 . . . . . 42 ALA HB* . 50711 1 450 . 1 . 1 42 42 ALA C C 13 179.296 0.4 . 1 . . . . . 42 ALA C . 50711 1 451 . 1 . 1 42 42 ALA CA C 13 54.917 0.4 . 1 . . . . . 42 ALA CA . 50711 1 452 . 1 . 1 42 42 ALA CB C 13 17.736 0.4 . 1 . . . . . 42 ALA CB . 50711 1 453 . 1 . 1 42 42 ALA N N 15 122.270 0.2 . 1 . . . . . 42 ALA N . 50711 1 454 . 1 . 1 43 43 ALA H H 1 8.060 0.04 . 1 . . . . . 43 ALA H . 50711 1 455 . 1 . 1 43 43 ALA HA H 1 4.053 0.04 . 1 . . . . . 43 ALA HA . 50711 1 456 . 1 . 1 43 43 ALA HB1 H 1 1.294 0.04 . 1 . . . . . 43 ALA HB* . 50711 1 457 . 1 . 1 43 43 ALA HB2 H 1 1.294 0.04 . 1 . . . . . 43 ALA HB* . 50711 1 458 . 1 . 1 43 43 ALA HB3 H 1 1.294 0.04 . 1 . . . . . 43 ALA HB* . 50711 1 459 . 1 . 1 43 43 ALA C C 13 178.552 0.4 . 1 . . . . . 43 ALA C . 50711 1 460 . 1 . 1 43 43 ALA CA C 13 55.556 0.4 . 1 . . . . . 43 ALA CA . 50711 1 461 . 1 . 1 43 43 ALA CB C 13 17.319 0.4 . 1 . . . . . 43 ALA CB . 50711 1 462 . 1 . 1 43 43 ALA N N 15 119.138 0.2 . 1 . . . . . 43 ALA N . 50711 1 463 . 1 . 1 44 44 ARG H H 1 8.091 0.04 . 1 . . . . . 44 ARG H . 50711 1 464 . 1 . 1 44 44 ARG HA H 1 4.147 0.04 . 1 . . . . . 44 ARG HA . 50711 1 465 . 1 . 1 44 44 ARG HB2 H 1 1.895 0.04 . 2 . . . . . 44 ARG HB2 . 50711 1 466 . 1 . 1 44 44 ARG HB3 H 1 1.956 0.04 . 2 . . . . . 44 ARG HB3 . 50711 1 467 . 1 . 1 44 44 ARG HG2 H 1 1.602 0.04 . 2 . . . . . 44 ARG HG2 . 50711 1 468 . 1 . 1 44 44 ARG HG3 H 1 2.095 0.04 . 2 . . . . . 44 ARG HG3 . 50711 1 469 . 1 . 1 44 44 ARG HD2 H 1 3.055 0.04 . 2 . . . . . 44 ARG HD2 . 50711 1 470 . 1 . 1 44 44 ARG HD3 H 1 3.420 0.04 . 2 . . . . . 44 ARG HD3 . 50711 1 471 . 1 . 1 44 44 ARG HE H 1 8.575 0.04 . 1 . . . . . 44 ARG HE . 50711 1 472 . 1 . 1 44 44 ARG C C 13 179.757 0.4 . 1 . . . . . 44 ARG C . 50711 1 473 . 1 . 1 44 44 ARG CA C 13 58.273 0.4 . 1 . . . . . 44 ARG CA . 50711 1 474 . 1 . 1 44 44 ARG CB C 13 32.191 0.4 . 1 . . . . . 44 ARG CB . 50711 1 475 . 1 . 1 44 44 ARG CG C 13 25.569 0.4 . 1 . . . . . 44 ARG CG . 50711 1 476 . 1 . 1 44 44 ARG CD C 13 43.544 0.4 . 1 . . . . . 44 ARG CD . 50711 1 477 . 1 . 1 44 44 ARG N N 15 114.518 0.2 . 1 . . . . . 44 ARG N . 50711 1 478 . 1 . 1 44 44 ARG NE N 15 87.836 0.2 . 1 . . . . . 44 ARG NE . 50711 1 479 . 1 . 1 45 45 ARG H H 1 7.821 0.04 . 1 . . . . . 45 ARG H . 50711 1 480 . 1 . 1 45 45 ARG HA H 1 4.046 0.04 . 1 . . . . . 45 ARG HA . 50711 1 481 . 1 . 1 45 45 ARG HB2 H 1 1.886 0.04 . 2 . . . . . 45 ARG HB2 . 50711 1 482 . 1 . 1 45 45 ARG HB3 H 1 2.019 0.04 . 2 . . . . . 45 ARG HB3 . 50711 1 483 . 1 . 1 45 45 ARG HG2 H 1 1.589 0.04 . 2 . . . . . 45 ARG HG2 . 50711 1 484 . 1 . 1 45 45 ARG HG3 H 1 1.686 0.04 . 2 . . . . . 45 ARG HG3 . 50711 1 485 . 1 . 1 45 45 ARG HD2 H 1 3.054 0.04 . 2 . . . . . 45 ARG HD2 . 50711 1 486 . 1 . 1 45 45 ARG HD3 H 1 3.183 0.04 . 2 . . . . . 45 ARG HD3 . 50711 1 487 . 1 . 1 45 45 ARG C C 13 179.937 0.4 . 1 . . . . . 45 ARG C . 50711 1 488 . 1 . 1 45 45 ARG CA C 13 59.480 0.4 . 1 . . . . . 45 ARG CA . 50711 1 489 . 1 . 1 45 45 ARG CB C 13 29.459 0.4 . 1 . . . . . 45 ARG CB . 50711 1 490 . 1 . 1 45 45 ARG CG C 13 27.048 0.4 . 1 . . . . . 45 ARG CG . 50711 1 491 . 1 . 1 45 45 ARG CD C 13 42.786 0.4 . 1 . . . . . 45 ARG CD . 50711 1 492 . 1 . 1 45 45 ARG N N 15 119.373 0.2 . 1 . . . . . 45 ARG N . 50711 1 493 . 1 . 1 46 46 ILE H H 1 8.722 0.04 . 1 . . . . . 46 ILE H . 50711 1 494 . 1 . 1 46 46 ILE HA H 1 3.699 0.04 . 1 . . . . . 46 ILE HA . 50711 1 495 . 1 . 1 46 46 ILE HB H 1 2.047 0.04 . 1 . . . . . 46 ILE HB . 50711 1 496 . 1 . 1 46 46 ILE HG12 H 1 1.204 0.04 . 2 . . . . . 46 ILE HG12 . 50711 1 497 . 1 . 1 46 46 ILE HG13 H 1 1.944 0.04 . 2 . . . . . 46 ILE HG13 . 50711 1 498 . 1 . 1 46 46 ILE HG21 H 1 1.060 0.04 . 1 . . . . . 46 ILE HG2* . 50711 1 499 . 1 . 1 46 46 ILE HG22 H 1 1.060 0.04 . 1 . . . . . 46 ILE HG2* . 50711 1 500 . 1 . 1 46 46 ILE HG23 H 1 1.060 0.04 . 1 . . . . . 46 ILE HG2* . 50711 1 501 . 1 . 1 46 46 ILE HD11 H 1 0.709 0.04 . 1 . . . . . 46 ILE HD1* . 50711 1 502 . 1 . 1 46 46 ILE HD12 H 1 0.709 0.04 . 1 . . . . . 46 ILE HD1* . 50711 1 503 . 1 . 1 46 46 ILE HD13 H 1 0.709 0.04 . 1 . . . . . 46 ILE HD1* . 50711 1 504 . 1 . 1 46 46 ILE C C 13 177.991 0.4 . 1 . . . . . 46 ILE C . 50711 1 505 . 1 . 1 46 46 ILE CA C 13 65.749 0.4 . 1 . . . . . 46 ILE CA . 50711 1 506 . 1 . 1 46 46 ILE CB C 13 38.054 0.4 . 1 . . . . . 46 ILE CB . 50711 1 507 . 1 . 1 46 46 ILE CG1 C 13 30.662 0.4 . 1 . . . . . 46 ILE CG1 . 50711 1 508 . 1 . 1 46 46 ILE CG2 C 13 18.149 0.4 . 1 . . . . . 46 ILE CG2 . 50711 1 509 . 1 . 1 46 46 ILE CD1 C 13 14.378 0.4 . 1 . . . . . 46 ILE CD1 . 50711 1 510 . 1 . 1 46 46 ILE N N 15 123.619 0.2 . 1 . . . . . 46 ILE N . 50711 1 511 . 1 . 1 47 47 GLU H H 1 7.971 0.04 . 1 . . . . . 47 GLU H . 50711 1 512 . 1 . 1 47 47 GLU HA H 1 3.865 0.04 . 1 . . . . . 47 GLU HA . 50711 1 513 . 1 . 1 47 47 GLU HB2 H 1 1.643 0.04 . 2 . . . . . 47 GLU HB2 . 50711 1 514 . 1 . 1 47 47 GLU HB3 H 1 2.369 0.04 . 2 . . . . . 47 GLU HB3 . 50711 1 515 . 1 . 1 47 47 GLU HG2 H 1 2.282 0.04 . 2 . . . . . 47 GLU HG2 . 50711 1 516 . 1 . 1 47 47 GLU HG3 H 1 2.631 0.04 . 2 . . . . . 47 GLU HG3 . 50711 1 517 . 1 . 1 47 47 GLU C C 13 179.177 0.4 . 1 . . . . . 47 GLU C . 50711 1 518 . 1 . 1 47 47 GLU CA C 13 58.978 0.4 . 1 . . . . . 47 GLU CA . 50711 1 519 . 1 . 1 47 47 GLU CB C 13 29.046 0.4 . 1 . . . . . 47 GLU CB . 50711 1 520 . 1 . 1 47 47 GLU CG C 13 36.297 0.4 . 1 . . . . . 47 GLU CG . 50711 1 521 . 1 . 1 47 47 GLU N N 15 118.439 0.2 . 1 . . . . . 47 GLU N . 50711 1 522 . 1 . 1 48 48 GLN H H 1 7.458 0.04 . 1 . . . . . 48 GLN H . 50711 1 523 . 1 . 1 48 48 GLN HA H 1 4.007 0.04 . 1 . . . . . 48 GLN HA . 50711 1 524 . 1 . 1 48 48 GLN HB2 H 1 2.092 0.04 . 2 . . . . . 48 GLN HB2 . 50711 1 525 . 1 . 1 48 48 GLN HB3 H 1 2.178 0.04 . 2 . . . . . 48 GLN HB3 . 50711 1 526 . 1 . 1 48 48 GLN HG2 H 1 2.389 0.04 . 2 . . . . . 48 GLN HG2 . 50711 1 527 . 1 . 1 48 48 GLN HG3 H 1 2.556 0.04 . 2 . . . . . 48 GLN HG3 . 50711 1 528 . 1 . 1 48 48 GLN HE21 H 1 6.716 0.04 . 2 . . . . . 48 GLN HE21 . 50711 1 529 . 1 . 1 48 48 GLN HE22 H 1 7.422 0.04 . 2 . . . . . 48 GLN HE22 . 50711 1 530 . 1 . 1 48 48 GLN C C 13 179.269 0.4 . 1 . . . . . 48 GLN C . 50711 1 531 . 1 . 1 48 48 GLN CA C 13 58.340 0.4 . 1 . . . . . 48 GLN CA . 50711 1 532 . 1 . 1 48 48 GLN CB C 13 28.527 0.4 . 1 . . . . . 48 GLN CB . 50711 1 533 . 1 . 1 48 48 GLN CG C 13 33.910 0.4 . 1 . . . . . 48 GLN CG . 50711 1 534 . 1 . 1 48 48 GLN N N 15 115.364 0.2 . 1 . . . . . 48 GLN N . 50711 1 535 . 1 . 1 48 48 GLN NE2 N 15 111.509 0.2 . 1 . . . . . 48 GLN NE2 . 50711 1 536 . 1 . 1 49 49 THR H H 1 8.428 0.04 . 1 . . . . . 49 THR H . 50711 1 537 . 1 . 1 49 49 THR HA H 1 3.639 0.04 . 1 . . . . . 49 THR HA . 50711 1 538 . 1 . 1 49 49 THR HB H 1 3.693 0.04 . 1 . . . . . 49 THR HB . 50711 1 539 . 1 . 1 49 49 THR HG21 H 1 0.362 0.04 . 1 . . . . . 49 THR HG2* . 50711 1 540 . 1 . 1 49 49 THR HG22 H 1 0.362 0.04 . 1 . . . . . 49 THR HG2* . 50711 1 541 . 1 . 1 49 49 THR HG23 H 1 0.362 0.04 . 1 . . . . . 49 THR HG2* . 50711 1 542 . 1 . 1 49 49 THR C C 13 175.673 0.4 . 1 . . . . . 49 THR C . 50711 1 543 . 1 . 1 49 49 THR CA C 13 66.484 0.4 . 1 . . . . . 49 THR CA . 50711 1 544 . 1 . 1 49 49 THR CB C 13 69.271 0.4 . 1 . . . . . 49 THR CB . 50711 1 545 . 1 . 1 49 49 THR CG2 C 13 20.618 0.4 . 1 . . . . . 49 THR CG2 . 50711 1 546 . 1 . 1 49 49 THR N N 15 116.757 0.2 . 1 . . . . . 49 THR N . 50711 1 547 . 1 . 1 50 50 TYR H H 1 7.567 0.04 . 1 . . . . . 50 TYR H . 50711 1 548 . 1 . 1 50 50 TYR HA H 1 4.611 0.04 . 1 . . . . . 50 TYR HA . 50711 1 549 . 1 . 1 50 50 TYR HB2 H 1 2.255 0.04 . 2 . . . . . 50 TYR HB2 . 50711 1 550 . 1 . 1 50 50 TYR HB3 H 1 3.503 0.04 . 2 . . . . . 50 TYR HB3 . 50711 1 551 . 1 . 1 50 50 TYR HD1 H 1 7.504 0.04 . 1 . . . . . 50 TYR HD1 . 50711 1 552 . 1 . 1 50 50 TYR HD2 H 1 7.504 0.04 . 1 . . . . . 50 TYR HD2 . 50711 1 553 . 1 . 1 50 50 TYR HE1 H 1 6.820 0.04 . 1 . . . . . 50 TYR HE1 . 50711 1 554 . 1 . 1 50 50 TYR HE2 H 1 6.820 0.04 . 1 . . . . . 50 TYR HE2 . 50711 1 555 . 1 . 1 50 50 TYR C C 13 174.807 0.4 . 1 . . . . . 50 TYR C . 50711 1 556 . 1 . 1 50 50 TYR CA C 13 59.233 0.4 . 1 . . . . . 50 TYR CA . 50711 1 557 . 1 . 1 50 50 TYR CB C 13 37.901 0.4 . 1 . . . . . 50 TYR CB . 50711 1 558 . 1 . 1 50 50 TYR CD1 C 13 133.390 0.4 . 1 . . . . . 50 TYR CD1 . 50711 1 559 . 1 . 1 50 50 TYR CD2 C 13 133.390 0.4 . 1 . . . . . 50 TYR CD2 . 50711 1 560 . 1 . 1 50 50 TYR CE1 C 13 117.909 0.4 . 1 . . . . . 50 TYR CE1 . 50711 1 561 . 1 . 1 50 50 TYR CE2 C 13 117.909 0.4 . 1 . . . . . 50 TYR CE2 . 50711 1 562 . 1 . 1 50 50 TYR N N 15 115.275 0.2 . 1 . . . . . 50 TYR N . 50711 1 563 . 1 . 1 51 51 GLY H H 1 7.412 0.04 . 1 . . . . . 51 GLY H . 50711 1 564 . 1 . 1 51 51 GLY HA2 H 1 3.831 0.04 . 2 . . . . . 51 GLY HA2 . 50711 1 565 . 1 . 1 51 51 GLY HA3 H 1 3.922 0.04 . 2 . . . . . 51 GLY HA3 . 50711 1 566 . 1 . 1 51 51 GLY C C 13 175.506 0.4 . 1 . . . . . 51 GLY C . 50711 1 567 . 1 . 1 51 51 GLY CA C 13 46.942 0.4 . 1 . . . . . 51 GLY CA . 50711 1 568 . 1 . 1 51 51 GLY N N 15 108.606 0.2 . 1 . . . . . 51 GLY N . 50711 1 569 . 1 . 1 52 52 MET H H 1 8.334 0.04 . 1 . . . . . 52 MET H . 50711 1 570 . 1 . 1 52 52 MET HA H 1 3.818 0.04 . 1 . . . . . 52 MET HA . 50711 1 571 . 1 . 1 52 52 MET HB2 H 1 1.054 0.04 . 1 . . . . . 52 MET HB2 . 50711 1 572 . 1 . 1 52 52 MET HB3 H 1 1.054 0.04 . 1 . . . . . 52 MET HB3 . 50711 1 573 . 1 . 1 52 52 MET HG2 H 1 -0.528 0.04 . 1 . . . . . 52 MET HG2 . 50711 1 574 . 1 . 1 52 52 MET HG3 H 1 -0.528 0.04 . 1 . . . . . 52 MET HG3 . 50711 1 575 . 1 . 1 52 52 MET C C 13 173.210 0.4 . 1 . . . . . 52 MET C . 50711 1 576 . 1 . 1 52 52 MET CA C 13 53.535 0.4 . 1 . . . . . 52 MET CA . 50711 1 577 . 1 . 1 52 52 MET CB C 13 30.973 0.4 . 1 . . . . . 52 MET CB . 50711 1 578 . 1 . 1 52 52 MET CG C 13 31.061 0.4 . 1 . . . . . 52 MET CG . 50711 1 579 . 1 . 1 52 52 MET N N 15 119.006 0.2 . 1 . . . . . 52 MET N . 50711 1 580 . 1 . 1 53 53 PRO HA H 1 4.186 0.04 . 1 . . . . . 53 PRO HA . 50711 1 581 . 1 . 1 53 53 PRO HB2 H 1 1.711 0.04 . 2 . . . . . 53 PRO HB2 . 50711 1 582 . 1 . 1 53 53 PRO HB3 H 1 2.288 0.04 . 2 . . . . . 53 PRO HB3 . 50711 1 583 . 1 . 1 53 53 PRO HG2 H 1 2.035 0.04 . 2 . . . . . 53 PRO HG2 . 50711 1 584 . 1 . 1 53 53 PRO HG3 H 1 2.157 0.04 . 2 . . . . . 53 PRO HG3 . 50711 1 585 . 1 . 1 53 53 PRO HD2 H 1 2.963 0.04 . 2 . . . . . 53 PRO HD2 . 50711 1 586 . 1 . 1 53 53 PRO HD3 H 1 3.732 0.04 . 2 . . . . . 53 PRO HD3 . 50711 1 587 . 1 . 1 53 53 PRO C C 13 175.941 0.4 . 1 . . . . . 53 PRO C . 50711 1 588 . 1 . 1 53 53 PRO CA C 13 62.573 0.4 . 1 . . . . . 53 PRO CA . 50711 1 589 . 1 . 1 53 53 PRO CB C 13 31.780 0.4 . 1 . . . . . 53 PRO CB . 50711 1 590 . 1 . 1 53 53 PRO CG C 13 27.878 0.4 . 1 . . . . . 53 PRO CG . 50711 1 591 . 1 . 1 53 53 PRO CD C 13 49.901 0.4 . 1 . . . . . 53 PRO CD . 50711 1 592 . 1 . 1 54 54 GLU H H 1 8.381 0.04 . 1 . . . . . 54 GLU H . 50711 1 593 . 1 . 1 54 54 GLU HA H 1 3.867 0.04 . 1 . . . . . 54 GLU HA . 50711 1 594 . 1 . 1 54 54 GLU HB2 H 1 1.814 0.04 . 2 . . . . . 54 GLU HB2 . 50711 1 595 . 1 . 1 54 54 GLU HB3 H 1 1.915 0.04 . 2 . . . . . 54 GLU HB3 . 50711 1 596 . 1 . 1 54 54 GLU HG2 H 1 2.114 0.04 . 2 . . . . . 54 GLU HG2 . 50711 1 597 . 1 . 1 54 54 GLU HG3 H 1 2.245 0.04 . 2 . . . . . 54 GLU HG3 . 50711 1 598 . 1 . 1 54 54 GLU C C 13 178.591 0.4 . 1 . . . . . 54 GLU C . 50711 1 599 . 1 . 1 54 54 GLU CA C 13 58.084 0.4 . 1 . . . . . 54 GLU CA . 50711 1 600 . 1 . 1 54 54 GLU CB C 13 29.138 0.4 . 1 . . . . . 54 GLU CB . 50711 1 601 . 1 . 1 54 54 GLU CG C 13 36.032 0.4 . 1 . . . . . 54 GLU CG . 50711 1 602 . 1 . 1 54 54 GLU N N 15 123.655 0.2 . 1 . . . . . 54 GLU N . 50711 1 603 . 1 . 1 55 55 GLY H H 1 9.138 0.04 . 1 . . . . . 55 GLY H . 50711 1 604 . 1 . 1 55 55 GLY HA2 H 1 3.486 0.04 . 2 . . . . . 55 GLY HA2 . 50711 1 605 . 1 . 1 55 55 GLY HA3 H 1 4.077 0.04 . 2 . . . . . 55 GLY HA3 . 50711 1 606 . 1 . 1 55 55 GLY C C 13 175.369 0.4 . 1 . . . . . 55 GLY C . 50711 1 607 . 1 . 1 55 55 GLY CA C 13 45.798 0.4 . 1 . . . . . 55 GLY CA . 50711 1 608 . 1 . 1 55 55 GLY N N 15 116.616 0.2 . 1 . . . . . 55 GLY N . 50711 1 609 . 1 . 1 56 56 TYR H H 1 8.092 0.04 . 1 . . . . . 56 TYR H . 50711 1 610 . 1 . 1 56 56 TYR HA H 1 3.775 0.04 . 1 . . . . . 56 TYR HA . 50711 1 611 . 1 . 1 56 56 TYR HB2 H 1 2.418 0.04 . 2 . . . . . 56 TYR HB2 . 50711 1 612 . 1 . 1 56 56 TYR HB3 H 1 3.189 0.04 . 2 . . . . . 56 TYR HB3 . 50711 1 613 . 1 . 1 56 56 TYR HD1 H 1 6.923 0.04 . 1 . . . . . 56 TYR HD1 . 50711 1 614 . 1 . 1 56 56 TYR HD2 H 1 6.923 0.04 . 1 . . . . . 56 TYR HD2 . 50711 1 615 . 1 . 1 56 56 TYR C C 13 176.900 0.4 . 1 . . . . . 56 TYR C . 50711 1 616 . 1 . 1 56 56 TYR CA C 13 61.659 0.4 . 1 . . . . . 56 TYR CA . 50711 1 617 . 1 . 1 56 56 TYR CB C 13 41.037 0.4 . 1 . . . . . 56 TYR CB . 50711 1 618 . 1 . 1 56 56 TYR CD1 C 13 133.723 0.4 . 1 . . . . . 56 TYR CD1 . 50711 1 619 . 1 . 1 56 56 TYR CD2 C 13 133.723 0.4 . 1 . . . . . 56 TYR CD2 . 50711 1 620 . 1 . 1 56 56 TYR N N 15 125.245 0.2 . 1 . . . . . 56 TYR N . 50711 1 621 . 1 . 1 57 57 LEU H H 1 9.237 0.04 . 1 . . . . . 57 LEU H . 50711 1 622 . 1 . 1 57 57 LEU HA H 1 3.615 0.04 . 1 . . . . . 57 LEU HA . 50711 1 623 . 1 . 1 57 57 LEU HB2 H 1 1.143 0.04 . 2 . . . . . 57 LEU HB2 . 50711 1 624 . 1 . 1 57 57 LEU HB3 H 1 1.501 0.04 . 2 . . . . . 57 LEU HB3 . 50711 1 625 . 1 . 1 57 57 LEU HD11 H 1 0.949 0.04 . 2 . . . . . 57 LEU HD1* . 50711 1 626 . 1 . 1 57 57 LEU HD12 H 1 0.949 0.04 . 2 . . . . . 57 LEU HD1* . 50711 1 627 . 1 . 1 57 57 LEU HD13 H 1 0.949 0.04 . 2 . . . . . 57 LEU HD1* . 50711 1 628 . 1 . 1 57 57 LEU HD21 H 1 1.134 0.04 . 2 . . . . . 57 LEU HD2* . 50711 1 629 . 1 . 1 57 57 LEU HD22 H 1 1.134 0.04 . 2 . . . . . 57 LEU HD2* . 50711 1 630 . 1 . 1 57 57 LEU HD23 H 1 1.134 0.04 . 2 . . . . . 57 LEU HD2* . 50711 1 631 . 1 . 1 57 57 LEU C C 13 173.439 0.4 . 1 . . . . . 57 LEU C . 50711 1 632 . 1 . 1 57 57 LEU CA C 13 56.085 0.4 . 1 . . . . . 57 LEU CA . 50711 1 633 . 1 . 1 57 57 LEU CB C 13 41.703 0.4 . 1 . . . . . 57 LEU CB . 50711 1 634 . 1 . 1 57 57 LEU CD1 C 13 23.966 0.4 . 2 . . . . . 57 LEU CD1 . 50711 1 635 . 1 . 1 57 57 LEU CD2 C 13 27.721 0.4 . 2 . . . . . 57 LEU CD2 . 50711 1 636 . 1 . 1 57 57 LEU N N 15 113.998 0.2 . 1 . . . . . 57 LEU N . 50711 1 637 . 1 . 1 58 58 ASP H H 1 6.836 0.04 . 1 . . . . . 58 ASP H . 50711 1 638 . 1 . 1 58 58 ASP HA H 1 4.351 0.04 . 1 . . . . . 58 ASP HA . 50711 1 639 . 1 . 1 58 58 ASP HB2 H 1 2.145 0.04 . 2 . . . . . 58 ASP HB2 . 50711 1 640 . 1 . 1 58 58 ASP HB3 H 1 2.631 0.04 . 2 . . . . . 58 ASP HB3 . 50711 1 641 . 1 . 1 58 58 ASP C C 13 175.809 0.4 . 1 . . . . . 58 ASP C . 50711 1 642 . 1 . 1 58 58 ASP CA C 13 52.756 0.4 . 1 . . . . . 58 ASP CA . 50711 1 643 . 1 . 1 58 58 ASP CB C 13 42.054 0.4 . 1 . . . . . 58 ASP CB . 50711 1 644 . 1 . 1 58 58 ASP N N 15 111.783 0.2 . 1 . . . . . 58 ASP N . 50711 1 645 . 1 . 1 59 59 ALA H H 1 6.874 0.04 . 1 . . . . . 59 ALA H . 50711 1 646 . 1 . 1 59 59 ALA HA H 1 3.872 0.04 . 1 . . . . . 59 ALA HA . 50711 1 647 . 1 . 1 59 59 ALA HB1 H 1 1.001 0.04 . 1 . . . . . 59 ALA HB* . 50711 1 648 . 1 . 1 59 59 ALA HB2 H 1 1.001 0.04 . 1 . . . . . 59 ALA HB* . 50711 1 649 . 1 . 1 59 59 ALA HB3 H 1 1.001 0.04 . 1 . . . . . 59 ALA HB* . 50711 1 650 . 1 . 1 59 59 ALA C C 13 176.719 0.4 . 1 . . . . . 59 ALA C . 50711 1 651 . 1 . 1 59 59 ALA CA C 13 52.773 0.4 . 1 . . . . . 59 ALA CA . 50711 1 652 . 1 . 1 59 59 ALA CB C 13 17.987 0.4 . 1 . . . . . 59 ALA CB . 50711 1 653 . 1 . 1 59 59 ALA N N 15 123.753 0.2 . 1 . . . . . 59 ALA N . 50711 1 654 . 1 . 1 60 60 GLU H H 1 8.279 0.04 . 1 . . . . . 60 GLU H . 50711 1 655 . 1 . 1 60 60 GLU HA H 1 3.818 0.04 . 1 . . . . . 60 GLU HA . 50711 1 656 . 1 . 1 60 60 GLU HB2 H 1 1.751 0.04 . 2 . . . . . 60 GLU HB2 . 50711 1 657 . 1 . 1 60 60 GLU HB3 H 1 1.926 0.04 . 2 . . . . . 60 GLU HB3 . 50711 1 658 . 1 . 1 60 60 GLU HG2 H 1 2.122 0.04 . 2 . . . . . 60 GLU HG2 . 50711 1 659 . 1 . 1 60 60 GLU HG3 H 1 2.206 0.04 . 2 . . . . . 60 GLU HG3 . 50711 1 660 . 1 . 1 60 60 GLU C C 13 176.614 0.4 . 1 . . . . . 60 GLU C . 50711 1 661 . 1 . 1 60 60 GLU CA C 13 56.782 0.4 . 1 . . . . . 60 GLU CA . 50711 1 662 . 1 . 1 60 60 GLU CB C 13 30.186 0.4 . 1 . . . . . 60 GLU CB . 50711 1 663 . 1 . 1 60 60 GLU CG C 13 36.280 0.4 . 1 . . . . . 60 GLU CG . 50711 1 664 . 1 . 1 60 60 GLU N N 15 122.811 0.2 . 1 . . . . . 60 GLU N . 50711 1 665 . 1 . 1 61 61 TYR H H 1 8.378 0.04 . 1 . . . . . 61 TYR H . 50711 1 666 . 1 . 1 61 61 TYR HA H 1 4.247 0.04 . 1 . . . . . 61 TYR HA . 50711 1 667 . 1 . 1 61 61 TYR HB2 H 1 2.647 0.04 . 2 . . . . . 61 TYR HB2 . 50711 1 668 . 1 . 1 61 61 TYR HB3 H 1 2.906 0.04 . 2 . . . . . 61 TYR HB3 . 50711 1 669 . 1 . 1 61 61 TYR HD1 H 1 6.985 0.04 . 1 . . . . . 61 TYR HD1 . 50711 1 670 . 1 . 1 61 61 TYR HD2 H 1 6.985 0.04 . 1 . . . . . 61 TYR HD2 . 50711 1 671 . 1 . 1 61 61 TYR HE1 H 1 6.704 0.04 . 1 . . . . . 61 TYR HE1 . 50711 1 672 . 1 . 1 61 61 TYR HE2 H 1 6.704 0.04 . 1 . . . . . 61 TYR HE2 . 50711 1 673 . 1 . 1 61 61 TYR C C 13 175.862 0.4 . 1 . . . . . 61 TYR C . 50711 1 674 . 1 . 1 61 61 TYR CA C 13 58.323 0.4 . 1 . . . . . 61 TYR CA . 50711 1 675 . 1 . 1 61 61 TYR CB C 13 38.944 0.4 . 1 . . . . . 61 TYR CB . 50711 1 676 . 1 . 1 61 61 TYR CD1 C 13 132.889 0.4 . 1 . . . . . 61 TYR CD1 . 50711 1 677 . 1 . 1 61 61 TYR CD2 C 13 132.889 0.4 . 1 . . . . . 61 TYR CD2 . 50711 1 678 . 1 . 1 61 61 TYR CE1 C 13 118.247 0.4 . 1 . . . . . 61 TYR CE1 . 50711 1 679 . 1 . 1 61 61 TYR CE2 C 13 118.247 0.4 . 1 . . . . . 61 TYR CE2 . 50711 1 680 . 1 . 1 61 61 TYR N N 15 120.934 0.2 . 1 . . . . . 61 TYR N . 50711 1 681 . 1 . 1 62 62 ALA H H 1 8.256 0.04 . 1 . . . . . 62 ALA H . 50711 1 682 . 1 . 1 62 62 ALA HA H 1 4.215 0.04 . 1 . . . . . 62 ALA HA . 50711 1 683 . 1 . 1 62 62 ALA HB1 H 1 1.270 0.04 . 1 . . . . . 62 ALA HB* . 50711 1 684 . 1 . 1 62 62 ALA HB2 H 1 1.270 0.04 . 1 . . . . . 62 ALA HB* . 50711 1 685 . 1 . 1 62 62 ALA HB3 H 1 1.270 0.04 . 1 . . . . . 62 ALA HB* . 50711 1 686 . 1 . 1 62 62 ALA C C 13 177.350 0.4 . 1 . . . . . 62 ALA C . 50711 1 687 . 1 . 1 62 62 ALA CA C 13 52.266 0.4 . 1 . . . . . 62 ALA CA . 50711 1 688 . 1 . 1 62 62 ALA CB C 13 19.412 0.4 . 1 . . . . . 62 ALA CB . 50711 1 689 . 1 . 1 62 62 ALA N N 15 125.683 0.2 . 1 . . . . . 62 ALA N . 50711 1 690 . 1 . 1 63 63 GLU H H 1 8.322 0.04 . 1 . . . . . 63 GLU H . 50711 1 691 . 1 . 1 63 63 GLU HA H 1 4.190 0.04 . 1 . . . . . 63 GLU HA . 50711 1 692 . 1 . 1 63 63 GLU HB2 H 1 1.827 0.04 . 2 . . . . . 63 GLU HB2 . 50711 1 693 . 1 . 1 63 63 GLU HB3 H 1 1.921 0.04 . 2 . . . . . 63 GLU HB3 . 50711 1 694 . 1 . 1 63 63 GLU HG2 H 1 2.153 0.04 . 2 . . . . . 63 GLU HG2 . 50711 1 695 . 1 . 1 63 63 GLU HG3 H 1 2.190 0.04 . 2 . . . . . 63 GLU HG3 . 50711 1 696 . 1 . 1 63 63 GLU C C 13 176.165 0.4 . 1 . . . . . 63 GLU C . 50711 1 697 . 1 . 1 63 63 GLU CA C 13 56.144 0.4 . 1 . . . . . 63 GLU CA . 50711 1 698 . 1 . 1 63 63 GLU CB C 13 30.448 0.4 . 1 . . . . . 63 GLU CB . 50711 1 699 . 1 . 1 63 63 GLU CG C 13 36.107 0.4 . 1 . . . . . 63 GLU CG . 50711 1 700 . 1 . 1 63 63 GLU N N 15 120.383 0.2 . 1 . . . . . 63 GLU N . 50711 1 701 . 1 . 1 64 64 GLN H H 1 8.447 0.04 . 1 . . . . . 64 GLN H . 50711 1 702 . 1 . 1 64 64 GLN HA H 1 4.501 0.04 . 1 . . . . . 64 GLN HA . 50711 1 703 . 1 . 1 64 64 GLN HB2 H 1 1.833 0.04 . 2 . . . . . 64 GLN HB2 . 50711 1 704 . 1 . 1 64 64 GLN HB3 H 1 1.999 0.04 . 2 . . . . . 64 GLN HB3 . 50711 1 705 . 1 . 1 64 64 GLN HG2 H 1 2.298 0.04 . 1 . . . . . 64 GLN HG2 . 50711 1 706 . 1 . 1 64 64 GLN HG3 H 1 2.298 0.04 . 1 . . . . . 64 GLN HG3 . 50711 1 707 . 1 . 1 64 64 GLN HE21 H 1 6.779 0.04 . 2 . . . . . 64 GLN HE21 . 50711 1 708 . 1 . 1 64 64 GLN HE22 H 1 7.455 0.04 . 2 . . . . . 64 GLN HE22 . 50711 1 709 . 1 . 1 64 64 GLN C C 13 174.181 0.4 . 1 . . . . . 64 GLN C . 50711 1 710 . 1 . 1 64 64 GLN CA C 13 53.590 0.4 . 1 . . . . . 64 GLN CA . 50711 1 711 . 1 . 1 64 64 GLN CB C 13 28.742 0.4 . 1 . . . . . 64 GLN CB . 50711 1 712 . 1 . 1 64 64 GLN CG C 13 33.373 0.4 . 1 . . . . . 64 GLN CG . 50711 1 713 . 1 . 1 64 64 GLN N N 15 122.726 0.2 . 1 . . . . . 64 GLN N . 50711 1 714 . 1 . 1 64 64 GLN NE2 N 15 112.564 0.2 . 1 . . . . . 64 GLN NE2 . 50711 1 715 . 1 . 1 65 65 PRO HA H 1 4.310 0.04 . 1 . . . . . 65 PRO HA . 50711 1 716 . 1 . 1 65 65 PRO HB2 H 1 1.834 0.04 . 2 . . . . . 65 PRO HB2 . 50711 1 717 . 1 . 1 65 65 PRO HB3 H 1 2.189 0.04 . 2 . . . . . 65 PRO HB3 . 50711 1 718 . 1 . 1 65 65 PRO HG2 H 1 1.875 0.04 . 2 . . . . . 65 PRO HG2 . 50711 1 719 . 1 . 1 65 65 PRO HG3 H 1 1.952 0.04 . 2 . . . . . 65 PRO HG3 . 50711 1 720 . 1 . 1 65 65 PRO HD2 H 1 3.563 0.04 . 2 . . . . . 65 PRO HD2 . 50711 1 721 . 1 . 1 65 65 PRO HD3 H 1 3.692 0.04 . 2 . . . . . 65 PRO HD3 . 50711 1 722 . 1 . 1 65 65 PRO C C 13 177.621 0.4 . 1 . . . . . 65 PRO C . 50711 1 723 . 1 . 1 65 65 PRO CA C 13 63.605 0.4 . 1 . . . . . 65 PRO CA . 50711 1 724 . 1 . 1 65 65 PRO CB C 13 31.921 0.4 . 1 . . . . . 65 PRO CB . 50711 1 725 . 1 . 1 65 65 PRO CG C 13 27.384 0.4 . 1 . . . . . 65 PRO CG . 50711 1 726 . 1 . 1 65 65 PRO CD C 13 50.642 0.4 . 1 . . . . . 65 PRO CD . 50711 1 727 . 1 . 1 66 66 GLY H H 1 8.533 0.04 . 1 . . . . . 66 GLY H . 50711 1 728 . 1 . 1 66 66 GLY HA2 H 1 3.846 0.04 . 2 . . . . . 66 GLY HA2 . 50711 1 729 . 1 . 1 66 66 GLY HA3 H 1 3.940 0.04 . 2 . . . . . 66 GLY HA3 . 50711 1 730 . 1 . 1 66 66 GLY C C 13 174.486 0.4 . 1 . . . . . 66 GLY C . 50711 1 731 . 1 . 1 66 66 GLY CA C 13 45.376 0.4 . 1 . . . . . 66 GLY CA . 50711 1 732 . 1 . 1 66 66 GLY N N 15 109.852 0.2 . 1 . . . . . 66 GLY N . 50711 1 733 . 1 . 1 67 67 SER H H 1 8.033 0.04 . 1 . . . . . 67 SER H . 50711 1 734 . 1 . 1 67 67 SER HA H 1 4.356 0.04 . 1 . . . . . 67 SER HA . 50711 1 735 . 1 . 1 67 67 SER HB2 H 1 3.757 0.04 . 2 . . . . . 67 SER HB2 . 50711 1 736 . 1 . 1 67 67 SER HB3 H 1 3.824 0.04 . 2 . . . . . 67 SER HB3 . 50711 1 737 . 1 . 1 67 67 SER C C 13 174.759 0.4 . 1 . . . . . 67 SER C . 50711 1 738 . 1 . 1 67 67 SER CA C 13 58.440 0.4 . 1 . . . . . 67 SER CA . 50711 1 739 . 1 . 1 67 67 SER CB C 13 63.918 0.4 . 1 . . . . . 67 SER CB . 50711 1 740 . 1 . 1 67 67 SER N N 15 115.254 0.2 . 1 . . . . . 67 SER N . 50711 1 741 . 1 . 1 68 68 SER H H 1 8.290 0.04 . 1 . . . . . 68 SER H . 50711 1 742 . 1 . 1 68 68 SER C C 13 174.354 0.4 . 1 . . . . . 68 SER C . 50711 1 743 . 1 . 1 68 68 SER CB C 13 63.688 0.4 . 1 . . . . . 68 SER CB . 50711 1 744 . 1 . 1 68 68 SER N N 15 117.388 0.2 . 1 . . . . . 68 SER N . 50711 1 stop_ save_