data_34448 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34448 _Entry.Title ; Bam_5925cDD 5924nDD docking domains ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-11-08 _Entry.Accession_date 2019-11-08 _Entry.Last_release_date 2020-07-14 _Entry.Original_release_date 2020-07-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 F. Risser F. . . . 34448 2 B. Chagot B. . . . 34448 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PROTEIN BINDING' . 34448 'docking domain' . 34448 'polyketide synthase' . 34448 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34448 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 654 34448 '15N chemical shifts' 178 34448 '1H chemical shifts' 1106 34448 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 . . 2020-08-06 . original BMRB . 34448 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6TDN 'BMRB Entry Tracking System' 34448 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34448 _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 ; Understanding Intersubunit Interactions in the Enacyloxin Mixed cis-/trans-AT Polyketide Synthase ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 F. Risser F. . . . 34448 1 2 R. 'Dos Santos-Morais' R. . . . 34448 1 3 S. Collin S. . . . 34448 1 4 A. Gruez A. . . . 34448 1 5 B. Chagot B. . . . 34448 1 6 K. Weissman K. J. . . 34448 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34448 _Assembly.ID 1 _Assembly.Name 'Beta-ketoacyl synthase' _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 unit_1 1 $entity_1 A A yes . . . . . . 34448 1 2 unit_2 1 $entity_1 B B yes . . . . . . 34448 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34448 _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,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPGSYAPLDTELSEIEGLQD DDLAALLGKEFIREGGGSGG GSGGGSMNKPTSSDGWKDDY LSRLSRLSKNQLMALALKLK QQQLEQG ; _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 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9150.089 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 34448 1 2 . PRO . 34448 1 3 . GLY . 34448 1 4 . SER . 34448 1 5 . TYR . 34448 1 6 . ALA . 34448 1 7 . PRO . 34448 1 8 . LEU . 34448 1 9 . ASP . 34448 1 10 . THR . 34448 1 11 . GLU . 34448 1 12 . LEU . 34448 1 13 . SER . 34448 1 14 . GLU . 34448 1 15 . ILE . 34448 1 16 . GLU . 34448 1 17 . GLY . 34448 1 18 . LEU . 34448 1 19 . GLN . 34448 1 20 . ASP . 34448 1 21 . ASP . 34448 1 22 . ASP . 34448 1 23 . LEU . 34448 1 24 . ALA . 34448 1 25 . ALA . 34448 1 26 . LEU . 34448 1 27 . LEU . 34448 1 28 . GLY . 34448 1 29 . LYS . 34448 1 30 . GLU . 34448 1 31 . PHE . 34448 1 32 . ILE . 34448 1 33 . ARG . 34448 1 34 . GLU . 34448 1 35 . GLY . 34448 1 36 . GLY . 34448 1 37 . GLY . 34448 1 38 . SER . 34448 1 39 . GLY . 34448 1 40 . GLY . 34448 1 41 . GLY . 34448 1 42 . SER . 34448 1 43 . GLY . 34448 1 44 . GLY . 34448 1 45 . GLY . 34448 1 46 . SER . 34448 1 47 . MET . 34448 1 48 . ASN . 34448 1 49 . LYS . 34448 1 50 . PRO . 34448 1 51 . THR . 34448 1 52 . SER . 34448 1 53 . SER . 34448 1 54 . ASP . 34448 1 55 . GLY . 34448 1 56 . TRP . 34448 1 57 . LYS . 34448 1 58 . ASP . 34448 1 59 . ASP . 34448 1 60 . TYR . 34448 1 61 . LEU . 34448 1 62 . SER . 34448 1 63 . ARG . 34448 1 64 . LEU . 34448 1 65 . SER . 34448 1 66 . ARG . 34448 1 67 . LEU . 34448 1 68 . SER . 34448 1 69 . LYS . 34448 1 70 . ASN . 34448 1 71 . GLN . 34448 1 72 . LEU . 34448 1 73 . MET . 34448 1 74 . ALA . 34448 1 75 . LEU . 34448 1 76 . ALA . 34448 1 77 . LEU . 34448 1 78 . LYS . 34448 1 79 . LEU . 34448 1 80 . LYS . 34448 1 81 . GLN . 34448 1 82 . GLN . 34448 1 83 . GLN . 34448 1 84 . LEU . 34448 1 85 . GLU . 34448 1 86 . GLN . 34448 1 87 . GLY . 34448 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 34448 1 . PRO 2 2 34448 1 . GLY 3 3 34448 1 . SER 4 4 34448 1 . TYR 5 5 34448 1 . ALA 6 6 34448 1 . PRO 7 7 34448 1 . LEU 8 8 34448 1 . ASP 9 9 34448 1 . THR 10 10 34448 1 . GLU 11 11 34448 1 . LEU 12 12 34448 1 . SER 13 13 34448 1 . GLU 14 14 34448 1 . ILE 15 15 34448 1 . GLU 16 16 34448 1 . GLY 17 17 34448 1 . LEU 18 18 34448 1 . GLN 19 19 34448 1 . ASP 20 20 34448 1 . ASP 21 21 34448 1 . ASP 22 22 34448 1 . LEU 23 23 34448 1 . ALA 24 24 34448 1 . ALA 25 25 34448 1 . LEU 26 26 34448 1 . LEU 27 27 34448 1 . GLY 28 28 34448 1 . LYS 29 29 34448 1 . GLU 30 30 34448 1 . PHE 31 31 34448 1 . ILE 32 32 34448 1 . ARG 33 33 34448 1 . GLU 34 34 34448 1 . GLY 35 35 34448 1 . GLY 36 36 34448 1 . GLY 37 37 34448 1 . SER 38 38 34448 1 . GLY 39 39 34448 1 . GLY 40 40 34448 1 . GLY 41 41 34448 1 . SER 42 42 34448 1 . GLY 43 43 34448 1 . GLY 44 44 34448 1 . GLY 45 45 34448 1 . SER 46 46 34448 1 . MET 47 47 34448 1 . ASN 48 48 34448 1 . LYS 49 49 34448 1 . PRO 50 50 34448 1 . THR 51 51 34448 1 . SER 52 52 34448 1 . SER 53 53 34448 1 . ASP 54 54 34448 1 . GLY 55 55 34448 1 . TRP 56 56 34448 1 . LYS 57 57 34448 1 . ASP 58 58 34448 1 . ASP 59 59 34448 1 . TYR 60 60 34448 1 . LEU 61 61 34448 1 . SER 62 62 34448 1 . ARG 63 63 34448 1 . LEU 64 64 34448 1 . SER 65 65 34448 1 . ARG 66 66 34448 1 . LEU 67 67 34448 1 . SER 68 68 34448 1 . LYS 69 69 34448 1 . ASN 70 70 34448 1 . GLN 71 71 34448 1 . LEU 72 72 34448 1 . MET 73 73 34448 1 . ALA 74 74 34448 1 . LEU 75 75 34448 1 . ALA 76 76 34448 1 . LEU 77 77 34448 1 . LYS 78 78 34448 1 . LEU 79 79 34448 1 . LYS 80 80 34448 1 . GLN 81 81 34448 1 . GLN 82 82 34448 1 . GLN 83 83 34448 1 . LEU 84 84 34448 1 . GLU 85 85 34448 1 . GLN 86 86 34448 1 . GLY 87 87 34448 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 34448 _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 . 339670 organism . 'Burkholderia ambifaria AMMD' 'Burkholderia ambifaria' . . Bacteria . Burkholderia ambifaria . . . . . . . . . . . 'Bamb_5925 Bamb_5924' . 34448 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 34448 _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 . . . plasmid . . pBG102 . . . 34448 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34448 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-100% 13C; U-100% 15N] protein, 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 protein '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 34448 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 34448 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 34448 1 pH 6.5 . pH 34448 1 pressure 1 . atm 34448 1 temperature 298 . K 34448 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34448 _Software.ID 1 _Software.Type . _Software.Name Amber _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 34448 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34448 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34448 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34448 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34448 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34448 _Software.ID 3 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34448 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34448 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34448 _Software.ID 4 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34448 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 34448 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 34448 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 34448 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 DRX . 600 . . . 34448 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 34448 _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 . . . . . . . . . . . . . . . . 34448 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34448 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34448 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34448 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34448 1 6 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34448 1 7 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34448 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34448 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34448 1 10 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34448 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34448 1 12 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34448 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 34448 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 . . . . . 34448 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34448 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34448 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 34448 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 34448 1 2 '2D 1H-13C HSQC aliphatic' . . . 34448 1 3 '2D 1H-13C HSQC aromatic' . . . 34448 1 4 '3D HNCO' . . . 34448 1 5 '3D CBCA(CO)NH' . . . 34448 1 6 '3D 1H-13C NOESY aromatic' . . . 34448 1 7 '3D 1H-13C NOESY aliphatic' . . . 34448 1 8 '3D 1H-15N NOESY' . . . 34448 1 9 '3D H(CCO)NH' . . . 34448 1 10 '3D C(CO)NH' . . . 34448 1 11 '3D HCCH-TOCSY' . . . 34448 1 12 '3D HNCACB' . . . 34448 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 3.998 0.000 . . . . . . A 1 GLY HA2 . 34448 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.998 0.000 . . . . . . A 1 GLY HA3 . 34448 1 3 . 1 . 1 2 2 PRO HA H 1 4.460 0.002 . . . . . . A 2 PRO HA . 34448 1 4 . 1 . 1 2 2 PRO HB2 H 1 2.307 0.003 . . . . . . A 2 PRO HB2 . 34448 1 5 . 1 . 1 2 2 PRO HB3 H 1 1.984 0.001 . . . . . . A 2 PRO HB3 . 34448 1 6 . 1 . 1 2 2 PRO HG2 H 1 2.029 0.002 . . . . . . A 2 PRO HG2 . 34448 1 7 . 1 . 1 2 2 PRO HG3 H 1 2.029 0.002 . . . . . . A 2 PRO HG3 . 34448 1 8 . 1 . 1 2 2 PRO HD2 H 1 3.574 0.003 . . . . . . A 2 PRO HD2 . 34448 1 9 . 1 . 1 2 2 PRO HD3 H 1 3.599 0.003 . . . . . . A 2 PRO HD3 . 34448 1 10 . 1 . 1 2 2 PRO C C 13 177.505 0.005 . . . . . . A 2 PRO C . 34448 1 11 . 1 . 1 2 2 PRO CA C 13 63.579 0.102 . . . . . . A 2 PRO CA . 34448 1 12 . 1 . 1 2 2 PRO CB C 13 32.174 0.045 . . . . . . A 2 PRO CB . 34448 1 13 . 1 . 1 2 2 PRO CG C 13 27.166 0.091 . . . . . . A 2 PRO CG . 34448 1 14 . 1 . 1 2 2 PRO CD C 13 49.676 0.024 . . . . . . A 2 PRO CD . 34448 1 15 . 1 . 1 3 3 GLY H H 1 8.637 0.002 . . . . . . A 3 GLY H . 34448 1 16 . 1 . 1 3 3 GLY HA2 H 1 3.950 0.005 . . . . . . A 3 GLY HA2 . 34448 1 17 . 1 . 1 3 3 GLY HA3 H 1 3.950 0.005 . . . . . . A 3 GLY HA3 . 34448 1 18 . 1 . 1 3 3 GLY C C 13 174.174 0.007 . . . . . . A 3 GLY C . 34448 1 19 . 1 . 1 3 3 GLY CA C 13 45.418 0.139 . . . . . . A 3 GLY CA . 34448 1 20 . 1 . 1 3 3 GLY N N 15 109.906 0.020 . . . . . . A 3 GLY N . 34448 1 21 . 1 . 1 4 4 SER H H 1 8.058 0.002 . . . . . . A 4 SER H . 34448 1 22 . 1 . 1 4 4 SER HA H 1 4.394 0.004 . . . . . . A 4 SER HA . 34448 1 23 . 1 . 1 4 4 SER HB2 H 1 3.765 0.002 . . . . . . A 4 SER HB2 . 34448 1 24 . 1 . 1 4 4 SER HB3 H 1 3.765 0.002 . . . . . . A 4 SER HB3 . 34448 1 25 . 1 . 1 4 4 SER C C 13 174.041 0.066 . . . . . . A 4 SER C . 34448 1 26 . 1 . 1 4 4 SER CA C 13 58.462 0.155 . . . . . . A 4 SER CA . 34448 1 27 . 1 . 1 4 4 SER CB C 13 63.851 0.068 . . . . . . A 4 SER CB . 34448 1 28 . 1 . 1 4 4 SER N N 15 115.369 0.010 . . . . . . A 4 SER N . 34448 1 29 . 1 . 1 5 5 TYR H H 1 8.208 0.002 . . . . . . A 5 TYR H . 34448 1 30 . 1 . 1 5 5 TYR HA H 1 4.566 0.006 . . . . . . A 5 TYR HA . 34448 1 31 . 1 . 1 5 5 TYR HB2 H 1 3.028 0.002 . . . . . . A 5 TYR HB2 . 34448 1 32 . 1 . 1 5 5 TYR HB3 H 1 2.924 0.003 . . . . . . A 5 TYR HB3 . 34448 1 33 . 1 . 1 5 5 TYR HD1 H 1 7.092 0.003 . . . . . . A 5 TYR HD1 . 34448 1 34 . 1 . 1 5 5 TYR HD2 H 1 7.092 0.003 . . . . . . A 5 TYR HD2 . 34448 1 35 . 1 . 1 5 5 TYR HE1 H 1 6.792 0.002 . . . . . . A 5 TYR HE1 . 34448 1 36 . 1 . 1 5 5 TYR HE2 H 1 6.792 0.002 . . . . . . A 5 TYR HE2 . 34448 1 37 . 1 . 1 5 5 TYR C C 13 174.977 0.006 . . . . . . A 5 TYR C . 34448 1 38 . 1 . 1 5 5 TYR CA C 13 57.703 0.148 . . . . . . A 5 TYR CA . 34448 1 39 . 1 . 1 5 5 TYR CB C 13 38.773 0.021 . . . . . . A 5 TYR CB . 34448 1 40 . 1 . 1 5 5 TYR CD1 C 13 133.307 0.021 . . . . . . A 5 TYR CD1 . 34448 1 41 . 1 . 1 5 5 TYR CE1 C 13 118.155 0.005 . . . . . . A 5 TYR CE1 . 34448 1 42 . 1 . 1 5 5 TYR N N 15 121.995 0.019 . . . . . . A 5 TYR N . 34448 1 43 . 1 . 1 6 6 ALA H H 1 8.045 0.005 . . . . . . A 6 ALA H . 34448 1 44 . 1 . 1 6 6 ALA HA H 1 4.535 0.009 . . . . . . A 6 ALA HA . 34448 1 45 . 1 . 1 6 6 ALA HB1 H 1 1.286 0.001 . . . . . . A 6 ALA HB1 . 34448 1 46 . 1 . 1 6 6 ALA HB2 H 1 1.286 0.001 . . . . . . A 6 ALA HB2 . 34448 1 47 . 1 . 1 6 6 ALA HB3 H 1 1.286 0.001 . . . . . . A 6 ALA HB3 . 34448 1 48 . 1 . 1 6 6 ALA C C 13 174.903 0.000 . . . . . . A 6 ALA C . 34448 1 49 . 1 . 1 6 6 ALA CA C 13 50.505 0.119 . . . . . . A 6 ALA CA . 34448 1 50 . 1 . 1 6 6 ALA CB C 13 18.503 0.011 . . . . . . A 6 ALA CB . 34448 1 51 . 1 . 1 6 6 ALA N N 15 127.237 0.017 . . . . . . A 6 ALA N . 34448 1 52 . 1 . 1 7 7 PRO HA H 1 4.364 0.003 . . . . . . A 7 PRO HA . 34448 1 53 . 1 . 1 7 7 PRO HB2 H 1 2.300 0.002 . . . . . . A 7 PRO HB2 . 34448 1 54 . 1 . 1 7 7 PRO HB3 H 1 1.892 0.006 . . . . . . A 7 PRO HB3 . 34448 1 55 . 1 . 1 7 7 PRO HG2 H 1 1.969 0.011 . . . . . . A 7 PRO HG2 . 34448 1 56 . 1 . 1 7 7 PRO HG3 H 1 1.930 0.008 . . . . . . A 7 PRO HG3 . 34448 1 57 . 1 . 1 7 7 PRO HD2 H 1 3.492 0.004 . . . . . . A 7 PRO HD2 . 34448 1 58 . 1 . 1 7 7 PRO HD3 H 1 3.618 0.001 . . . . . . A 7 PRO HD3 . 34448 1 59 . 1 . 1 7 7 PRO C C 13 178.023 0.000 . . . . . . A 7 PRO C . 34448 1 60 . 1 . 1 7 7 PRO CA C 13 63.098 0.071 . . . . . . A 7 PRO CA . 34448 1 61 . 1 . 1 7 7 PRO CB C 13 32.052 0.117 . . . . . . A 7 PRO CB . 34448 1 62 . 1 . 1 7 7 PRO CG C 13 27.594 0.032 . . . . . . A 7 PRO CG . 34448 1 63 . 1 . 1 7 7 PRO CD C 13 50.357 0.058 . . . . . . A 7 PRO CD . 34448 1 64 . 1 . 1 8 8 LEU H H 1 8.595 0.002 . . . . . . A 8 LEU H . 34448 1 65 . 1 . 1 8 8 LEU HA H 1 4.195 0.002 . . . . . . A 8 LEU HA . 34448 1 66 . 1 . 1 8 8 LEU HB2 H 1 1.685 0.002 . . . . . . A 8 LEU HB2 . 34448 1 67 . 1 . 1 8 8 LEU HB3 H 1 1.529 0.011 . . . . . . A 8 LEU HB3 . 34448 1 68 . 1 . 1 8 8 LEU HG H 1 1.586 0.002 . . . . . . A 8 LEU HG . 34448 1 69 . 1 . 1 8 8 LEU HD11 H 1 0.689 0.001 . . . . . . A 8 LEU HD11 . 34448 1 70 . 1 . 1 8 8 LEU HD12 H 1 0.689 0.001 . . . . . . A 8 LEU HD12 . 34448 1 71 . 1 . 1 8 8 LEU HD13 H 1 0.689 0.001 . . . . . . A 8 LEU HD13 . 34448 1 72 . 1 . 1 8 8 LEU HD21 H 1 0.660 0.002 . . . . . . A 8 LEU HD21 . 34448 1 73 . 1 . 1 8 8 LEU HD22 H 1 0.660 0.002 . . . . . . A 8 LEU HD22 . 34448 1 74 . 1 . 1 8 8 LEU HD23 H 1 0.660 0.002 . . . . . . A 8 LEU HD23 . 34448 1 75 . 1 . 1 8 8 LEU C C 13 177.643 0.009 . . . . . . A 8 LEU C . 34448 1 76 . 1 . 1 8 8 LEU CA C 13 56.712 0.113 . . . . . . A 8 LEU CA . 34448 1 77 . 1 . 1 8 8 LEU CB C 13 42.350 0.058 . . . . . . A 8 LEU CB . 34448 1 78 . 1 . 1 8 8 LEU CG C 13 27.214 0.054 . . . . . . A 8 LEU CG . 34448 1 79 . 1 . 1 8 8 LEU CD1 C 13 24.264 0.066 . . . . . . A 8 LEU CD1 . 34448 1 80 . 1 . 1 8 8 LEU CD2 C 13 25.084 0.078 . . . . . . A 8 LEU CD2 . 34448 1 81 . 1 . 1 8 8 LEU N N 15 123.046 0.017 . . . . . . A 8 LEU N . 34448 1 82 . 1 . 1 9 9 ASP H H 1 8.389 0.004 . . . . . . A 9 ASP H . 34448 1 83 . 1 . 1 9 9 ASP HA H 1 4.746 0.007 . . . . . . A 9 ASP HA . 34448 1 84 . 1 . 1 9 9 ASP HB2 H 1 2.990 0.002 . . . . . . A 9 ASP HB2 . 34448 1 85 . 1 . 1 9 9 ASP HB3 H 1 2.748 0.003 . . . . . . A 9 ASP HB3 . 34448 1 86 . 1 . 1 9 9 ASP C C 13 177.269 0.008 . . . . . . A 9 ASP C . 34448 1 87 . 1 . 1 9 9 ASP CA C 13 53.844 0.187 . . . . . . A 9 ASP CA . 34448 1 88 . 1 . 1 9 9 ASP CB C 13 40.367 0.027 . . . . . . A 9 ASP CB . 34448 1 89 . 1 . 1 9 9 ASP N N 15 117.407 0.014 . . . . . . A 9 ASP N . 34448 1 90 . 1 . 1 10 10 THR H H 1 7.880 0.002 . . . . . . A 10 THR H . 34448 1 91 . 1 . 1 10 10 THR HA H 1 3.932 0.003 . . . . . . A 10 THR HA . 34448 1 92 . 1 . 1 10 10 THR HB H 1 4.071 0.005 . . . . . . A 10 THR HB . 34448 1 93 . 1 . 1 10 10 THR HG21 H 1 1.226 0.009 . . . . . . A 10 THR HG21 . 34448 1 94 . 1 . 1 10 10 THR HG22 H 1 1.226 0.009 . . . . . . A 10 THR HG22 . 34448 1 95 . 1 . 1 10 10 THR HG23 H 1 1.226 0.009 . . . . . . A 10 THR HG23 . 34448 1 96 . 1 . 1 10 10 THR C C 13 176.209 0.000 . . . . . . A 10 THR C . 34448 1 97 . 1 . 1 10 10 THR CA C 13 66.515 0.125 . . . . . . A 10 THR CA . 34448 1 98 . 1 . 1 10 10 THR CB C 13 68.863 0.098 . . . . . . A 10 THR CB . 34448 1 99 . 1 . 1 10 10 THR CG2 C 13 21.691 0.063 . . . . . . A 10 THR CG2 . 34448 1 100 . 1 . 1 10 10 THR N N 15 116.010 0.033 . . . . . . A 10 THR N . 34448 1 101 . 1 . 1 11 11 GLU H H 1 8.598 0.003 . . . . . . A 11 GLU H . 34448 1 102 . 1 . 1 11 11 GLU HA H 1 4.163 0.008 . . . . . . A 11 GLU HA . 34448 1 103 . 1 . 1 11 11 GLU HB2 H 1 1.902 0.010 . . . . . . A 11 GLU HB2 . 34448 1 104 . 1 . 1 11 11 GLU HB3 H 1 1.902 0.010 . . . . . . A 11 GLU HB3 . 34448 1 105 . 1 . 1 11 11 GLU HG2 H 1 2.304 0.008 . . . . . . A 11 GLU HG2 . 34448 1 106 . 1 . 1 11 11 GLU HG3 H 1 2.304 0.008 . . . . . . A 11 GLU HG3 . 34448 1 107 . 1 . 1 11 11 GLU C C 13 177.520 0.000 . . . . . . A 11 GLU C . 34448 1 108 . 1 . 1 11 11 GLU CA C 13 59.987 0.056 . . . . . . A 11 GLU CA . 34448 1 109 . 1 . 1 11 11 GLU CB C 13 27.996 0.062 . . . . . . A 11 GLU CB . 34448 1 110 . 1 . 1 11 11 GLU CG C 13 36.358 0.010 . . . . . . A 11 GLU CG . 34448 1 111 . 1 . 1 11 11 GLU N N 15 119.387 0.058 . . . . . . A 11 GLU N . 34448 1 112 . 1 . 1 12 12 LEU H H 1 7.563 0.002 . . . . . . A 12 LEU H . 34448 1 113 . 1 . 1 12 12 LEU HA H 1 3.966 0.004 . . . . . . A 12 LEU HA . 34448 1 114 . 1 . 1 12 12 LEU HB2 H 1 2.152 0.014 . . . . . . A 12 LEU HB2 . 34448 1 115 . 1 . 1 12 12 LEU HB3 H 1 1.467 0.008 . . . . . . A 12 LEU HB3 . 34448 1 116 . 1 . 1 12 12 LEU HG H 1 1.579 0.002 . . . . . . A 12 LEU HG . 34448 1 117 . 1 . 1 12 12 LEU HD11 H 1 0.879 0.003 . . . . . . A 12 LEU HD11 . 34448 1 118 . 1 . 1 12 12 LEU HD12 H 1 0.879 0.003 . . . . . . A 12 LEU HD12 . 34448 1 119 . 1 . 1 12 12 LEU HD13 H 1 0.879 0.003 . . . . . . A 12 LEU HD13 . 34448 1 120 . 1 . 1 12 12 LEU HD21 H 1 0.860 0.003 . . . . . . A 12 LEU HD21 . 34448 1 121 . 1 . 1 12 12 LEU HD22 H 1 0.860 0.003 . . . . . . A 12 LEU HD22 . 34448 1 122 . 1 . 1 12 12 LEU HD23 H 1 0.860 0.003 . . . . . . A 12 LEU HD23 . 34448 1 123 . 1 . 1 12 12 LEU C C 13 177.711 0.000 . . . . . . A 12 LEU C . 34448 1 124 . 1 . 1 12 12 LEU CA C 13 57.925 0.100 . . . . . . A 12 LEU CA . 34448 1 125 . 1 . 1 12 12 LEU CB C 13 42.090 0.114 . . . . . . A 12 LEU CB . 34448 1 126 . 1 . 1 12 12 LEU CG C 13 27.158 0.038 . . . . . . A 12 LEU CG . 34448 1 127 . 1 . 1 12 12 LEU CD1 C 13 28.396 0.089 . . . . . . A 12 LEU CD1 . 34448 1 128 . 1 . 1 12 12 LEU CD2 C 13 22.889 0.022 . . . . . . A 12 LEU CD2 . 34448 1 129 . 1 . 1 12 12 LEU N N 15 120.406 0.021 . . . . . . A 12 LEU N . 34448 1 130 . 1 . 1 13 13 SER H H 1 8.465 0.005 . . . . . . A 13 SER H . 34448 1 131 . 1 . 1 13 13 SER HA H 1 4.381 0.014 . . . . . . A 13 SER HA . 34448 1 132 . 1 . 1 13 13 SER HB2 H 1 3.838 0.004 . . . . . . A 13 SER HB2 . 34448 1 133 . 1 . 1 13 13 SER HB3 H 1 3.897 0.009 . . . . . . A 13 SER HB3 . 34448 1 134 . 1 . 1 13 13 SER C C 13 177.266 0.000 . . . . . . A 13 SER C . 34448 1 135 . 1 . 1 13 13 SER CA C 13 61.462 0.125 . . . . . . A 13 SER CA . 34448 1 136 . 1 . 1 13 13 SER CB C 13 62.717 0.061 . . . . . . A 13 SER CB . 34448 1 137 . 1 . 1 13 13 SER N N 15 114.509 0.013 . . . . . . A 13 SER N . 34448 1 138 . 1 . 1 14 14 GLU H H 1 7.660 0.002 . . . . . . A 14 GLU H . 34448 1 139 . 1 . 1 14 14 GLU HA H 1 3.996 0.008 . . . . . . A 14 GLU HA . 34448 1 140 . 1 . 1 14 14 GLU HB2 H 1 2.148 0.001 . . . . . . A 14 GLU HB2 . 34448 1 141 . 1 . 1 14 14 GLU HB3 H 1 2.072 0.007 . . . . . . A 14 GLU HB3 . 34448 1 142 . 1 . 1 14 14 GLU HG2 H 1 2.054 0.009 . . . . . . A 14 GLU HG2 . 34448 1 143 . 1 . 1 14 14 GLU HG3 H 1 2.376 0.002 . . . . . . A 14 GLU HG3 . 34448 1 144 . 1 . 1 14 14 GLU C C 13 179.282 0.002 . . . . . . A 14 GLU C . 34448 1 145 . 1 . 1 14 14 GLU CA C 13 59.246 0.085 . . . . . . A 14 GLU CA . 34448 1 146 . 1 . 1 14 14 GLU CB C 13 29.537 0.121 . . . . . . A 14 GLU CB . 34448 1 147 . 1 . 1 14 14 GLU CG C 13 36.330 0.051 . . . . . . A 14 GLU CG . 34448 1 148 . 1 . 1 14 14 GLU N N 15 121.291 0.001 . . . . . . A 14 GLU N . 34448 1 149 . 1 . 1 15 15 ILE H H 1 7.726 0.004 . . . . . . A 15 ILE H . 34448 1 150 . 1 . 1 15 15 ILE HA H 1 3.862 0.004 . . . . . . A 15 ILE HA . 34448 1 151 . 1 . 1 15 15 ILE HB H 1 2.198 0.006 . . . . . . A 15 ILE HB . 34448 1 152 . 1 . 1 15 15 ILE HG12 H 1 1.771 0.004 . . . . . . A 15 ILE HG12 . 34448 1 153 . 1 . 1 15 15 ILE HG13 H 1 1.288 0.008 . . . . . . A 15 ILE HG13 . 34448 1 154 . 1 . 1 15 15 ILE HG21 H 1 1.010 0.002 . . . . . . A 15 ILE HG21 . 34448 1 155 . 1 . 1 15 15 ILE HG22 H 1 1.010 0.002 . . . . . . A 15 ILE HG22 . 34448 1 156 . 1 . 1 15 15 ILE HG23 H 1 1.010 0.002 . . . . . . A 15 ILE HG23 . 34448 1 157 . 1 . 1 15 15 ILE HD11 H 1 0.742 0.002 . . . . . . A 15 ILE HD11 . 34448 1 158 . 1 . 1 15 15 ILE HD12 H 1 0.742 0.002 . . . . . . A 15 ILE HD12 . 34448 1 159 . 1 . 1 15 15 ILE HD13 H 1 0.742 0.002 . . . . . . A 15 ILE HD13 . 34448 1 160 . 1 . 1 15 15 ILE C C 13 178.803 0.030 . . . . . . A 15 ILE C . 34448 1 161 . 1 . 1 15 15 ILE CA C 13 62.458 0.106 . . . . . . A 15 ILE CA . 34448 1 162 . 1 . 1 15 15 ILE CB C 13 36.362 0.101 . . . . . . A 15 ILE CB . 34448 1 163 . 1 . 1 15 15 ILE CG1 C 13 29.794 0.065 . . . . . . A 15 ILE CG1 . 34448 1 164 . 1 . 1 15 15 ILE CG2 C 13 19.939 0.049 . . . . . . A 15 ILE CG2 . 34448 1 165 . 1 . 1 15 15 ILE CD1 C 13 10.808 0.072 . . . . . . A 15 ILE CD1 . 34448 1 166 . 1 . 1 15 15 ILE N N 15 119.944 0.021 . . . . . . A 15 ILE N . 34448 1 167 . 1 . 1 16 16 GLU H H 1 8.716 0.004 . . . . . . A 16 GLU H . 34448 1 168 . 1 . 1 16 16 GLU HA H 1 3.775 0.003 . . . . . . A 16 GLU HA . 34448 1 169 . 1 . 1 16 16 GLU HB2 H 1 1.905 0.002 . . . . . . A 16 GLU HB2 . 34448 1 170 . 1 . 1 16 16 GLU HB3 H 1 2.254 0.006 . . . . . . A 16 GLU HB3 . 34448 1 171 . 1 . 1 16 16 GLU HG2 H 1 2.464 0.004 . . . . . . A 16 GLU HG2 . 34448 1 172 . 1 . 1 16 16 GLU HG3 H 1 2.211 0.007 . . . . . . A 16 GLU HG3 . 34448 1 173 . 1 . 1 16 16 GLU C C 13 177.901 0.004 . . . . . . A 16 GLU C . 34448 1 174 . 1 . 1 16 16 GLU CA C 13 58.961 0.094 . . . . . . A 16 GLU CA . 34448 1 175 . 1 . 1 16 16 GLU CB C 13 30.010 0.061 . . . . . . A 16 GLU CB . 34448 1 176 . 1 . 1 16 16 GLU CG C 13 37.794 0.057 . . . . . . A 16 GLU CG . 34448 1 177 . 1 . 1 16 16 GLU N N 15 119.942 0.014 . . . . . . A 16 GLU N . 34448 1 178 . 1 . 1 17 17 GLY H H 1 7.426 0.003 . . . . . . A 17 GLY H . 34448 1 179 . 1 . 1 17 17 GLY HA2 H 1 4.260 0.004 . . . . . . A 17 GLY HA2 . 34448 1 180 . 1 . 1 17 17 GLY HA3 H 1 3.772 0.007 . . . . . . A 17 GLY HA3 . 34448 1 181 . 1 . 1 17 17 GLY C C 13 174.474 0.000 . . . . . . A 17 GLY C . 34448 1 182 . 1 . 1 17 17 GLY CA C 13 45.049 0.054 . . . . . . A 17 GLY CA . 34448 1 183 . 1 . 1 17 17 GLY N N 15 103.360 0.024 . . . . . . A 17 GLY N . 34448 1 184 . 1 . 1 18 18 LEU H H 1 7.394 0.002 . . . . . . A 18 LEU H . 34448 1 185 . 1 . 1 18 18 LEU HA H 1 4.448 0.007 . . . . . . A 18 LEU HA . 34448 1 186 . 1 . 1 18 18 LEU HB2 H 1 1.418 0.005 . . . . . . A 18 LEU HB2 . 34448 1 187 . 1 . 1 18 18 LEU HB3 H 1 1.994 0.006 . . . . . . A 18 LEU HB3 . 34448 1 188 . 1 . 1 18 18 LEU HG H 1 2.226 0.002 . . . . . . A 18 LEU HG . 34448 1 189 . 1 . 1 18 18 LEU HD11 H 1 0.845 0.003 . . . . . . A 18 LEU HD11 . 34448 1 190 . 1 . 1 18 18 LEU HD12 H 1 0.845 0.003 . . . . . . A 18 LEU HD12 . 34448 1 191 . 1 . 1 18 18 LEU HD13 H 1 0.845 0.003 . . . . . . A 18 LEU HD13 . 34448 1 192 . 1 . 1 18 18 LEU HD21 H 1 0.872 0.006 . . . . . . A 18 LEU HD21 . 34448 1 193 . 1 . 1 18 18 LEU HD22 H 1 0.872 0.006 . . . . . . A 18 LEU HD22 . 34448 1 194 . 1 . 1 18 18 LEU HD23 H 1 0.872 0.006 . . . . . . A 18 LEU HD23 . 34448 1 195 . 1 . 1 18 18 LEU C C 13 177.259 0.009 . . . . . . A 18 LEU C . 34448 1 196 . 1 . 1 18 18 LEU CA C 13 55.319 0.103 . . . . . . A 18 LEU CA . 34448 1 197 . 1 . 1 18 18 LEU CB C 13 42.662 0.058 . . . . . . A 18 LEU CB . 34448 1 198 . 1 . 1 18 18 LEU CG C 13 25.973 0.149 . . . . . . A 18 LEU CG . 34448 1 199 . 1 . 1 18 18 LEU CD1 C 13 22.475 0.054 . . . . . . A 18 LEU CD1 . 34448 1 200 . 1 . 1 18 18 LEU CD2 C 13 26.767 0.054 . . . . . . A 18 LEU CD2 . 34448 1 201 . 1 . 1 18 18 LEU N N 15 121.142 0.009 . . . . . . A 18 LEU N . 34448 1 202 . 1 . 1 19 19 GLN H H 1 9.181 0.003 . . . . . . A 19 GLN H . 34448 1 203 . 1 . 1 19 19 GLN HA H 1 4.588 0.003 . . . . . . A 19 GLN HA . 34448 1 204 . 1 . 1 19 19 GLN HB2 H 1 2.468 0.004 . . . . . . A 19 GLN HB2 . 34448 1 205 . 1 . 1 19 19 GLN HB3 H 1 2.073 0.006 . . . . . . A 19 GLN HB3 . 34448 1 206 . 1 . 1 19 19 GLN HG2 H 1 2.541 0.001 . . . . . . A 19 GLN HG2 . 34448 1 207 . 1 . 1 19 19 GLN HG3 H 1 2.480 0.007 . . . . . . A 19 GLN HG3 . 34448 1 208 . 1 . 1 19 19 GLN HE21 H 1 7.539 0.002 . . . . . . A 19 GLN HE21 . 34448 1 209 . 1 . 1 19 19 GLN HE22 H 1 6.899 0.001 . . . . . . A 19 GLN HE22 . 34448 1 210 . 1 . 1 19 19 GLN C C 13 177.370 0.007 . . . . . . A 19 GLN C . 34448 1 211 . 1 . 1 19 19 GLN CA C 13 54.222 0.094 . . . . . . A 19 GLN CA . 34448 1 212 . 1 . 1 19 19 GLN CB C 13 30.214 0.054 . . . . . . A 19 GLN CB . 34448 1 213 . 1 . 1 19 19 GLN CG C 13 34.300 0.079 . . . . . . A 19 GLN CG . 34448 1 214 . 1 . 1 19 19 GLN N N 15 121.433 0.009 . . . . . . A 19 GLN N . 34448 1 215 . 1 . 1 19 19 GLN NE2 N 15 113.730 0.002 . . . . . . A 19 GLN NE2 . 34448 1 216 . 1 . 1 20 20 ASP H H 1 8.861 0.001 . . . . . . A 20 ASP H . 34448 1 217 . 1 . 1 20 20 ASP HA H 1 4.448 0.007 . . . . . . A 20 ASP HA . 34448 1 218 . 1 . 1 20 20 ASP HB2 H 1 2.723 0.004 . . . . . . A 20 ASP HB2 . 34448 1 219 . 1 . 1 20 20 ASP HB3 H 1 2.723 0.004 . . . . . . A 20 ASP HB3 . 34448 1 220 . 1 . 1 20 20 ASP C C 13 178.332 0.017 . . . . . . A 20 ASP C . 34448 1 221 . 1 . 1 20 20 ASP CA C 13 58.937 0.155 . . . . . . A 20 ASP CA . 34448 1 222 . 1 . 1 20 20 ASP CB C 13 40.508 0.062 . . . . . . A 20 ASP CB . 34448 1 223 . 1 . 1 20 20 ASP N N 15 122.285 0.004 . . . . . . A 20 ASP N . 34448 1 224 . 1 . 1 21 21 ASP H H 1 8.857 0.003 . . . . . . A 21 ASP H . 34448 1 225 . 1 . 1 21 21 ASP HA H 1 4.256 0.005 . . . . . . A 21 ASP HA . 34448 1 226 . 1 . 1 21 21 ASP HB2 H 1 2.518 0.010 . . . . . . A 21 ASP HB2 . 34448 1 227 . 1 . 1 21 21 ASP HB3 H 1 2.606 0.004 . . . . . . A 21 ASP HB3 . 34448 1 228 . 1 . 1 21 21 ASP C C 13 178.971 0.005 . . . . . . A 21 ASP C . 34448 1 229 . 1 . 1 21 21 ASP CA C 13 57.375 0.131 . . . . . . A 21 ASP CA . 34448 1 230 . 1 . 1 21 21 ASP CB C 13 39.789 0.058 . . . . . . A 21 ASP CB . 34448 1 231 . 1 . 1 21 21 ASP N N 15 117.147 0.019 . . . . . . A 21 ASP N . 34448 1 232 . 1 . 1 22 22 ASP H H 1 7.385 0.003 . . . . . . A 22 ASP H . 34448 1 233 . 1 . 1 22 22 ASP HA H 1 4.470 0.003 . . . . . . A 22 ASP HA . 34448 1 234 . 1 . 1 22 22 ASP HB2 H 1 2.891 0.002 . . . . . . A 22 ASP HB2 . 34448 1 235 . 1 . 1 22 22 ASP HB3 H 1 2.747 0.006 . . . . . . A 22 ASP HB3 . 34448 1 236 . 1 . 1 22 22 ASP C C 13 179.039 0.014 . . . . . . A 22 ASP C . 34448 1 237 . 1 . 1 22 22 ASP CA C 13 56.824 0.148 . . . . . . A 22 ASP CA . 34448 1 238 . 1 . 1 22 22 ASP CB C 13 42.326 0.065 . . . . . . A 22 ASP CB . 34448 1 239 . 1 . 1 22 22 ASP N N 15 119.462 0.006 . . . . . . A 22 ASP N . 34448 1 240 . 1 . 1 23 23 LEU H H 1 8.148 0.003 . . . . . . A 23 LEU H . 34448 1 241 . 1 . 1 23 23 LEU HA H 1 3.978 0.003 . . . . . . A 23 LEU HA . 34448 1 242 . 1 . 1 23 23 LEU HB2 H 1 1.991 0.005 . . . . . . A 23 LEU HB2 . 34448 1 243 . 1 . 1 23 23 LEU HB3 H 1 1.467 0.004 . . . . . . A 23 LEU HB3 . 34448 1 244 . 1 . 1 23 23 LEU HG H 1 1.667 0.006 . . . . . . A 23 LEU HG . 34448 1 245 . 1 . 1 23 23 LEU HD11 H 1 0.817 0.001 . . . . . . A 23 LEU HD11 . 34448 1 246 . 1 . 1 23 23 LEU HD12 H 1 0.817 0.001 . . . . . . A 23 LEU HD12 . 34448 1 247 . 1 . 1 23 23 LEU HD13 H 1 0.817 0.001 . . . . . . A 23 LEU HD13 . 34448 1 248 . 1 . 1 23 23 LEU HD21 H 1 0.914 0.007 . . . . . . A 23 LEU HD21 . 34448 1 249 . 1 . 1 23 23 LEU HD22 H 1 0.914 0.007 . . . . . . A 23 LEU HD22 . 34448 1 250 . 1 . 1 23 23 LEU HD23 H 1 0.914 0.007 . . . . . . A 23 LEU HD23 . 34448 1 251 . 1 . 1 23 23 LEU C C 13 178.054 0.013 . . . . . . A 23 LEU C . 34448 1 252 . 1 . 1 23 23 LEU CA C 13 57.777 0.119 . . . . . . A 23 LEU CA . 34448 1 253 . 1 . 1 23 23 LEU CB C 13 42.320 0.075 . . . . . . A 23 LEU CB . 34448 1 254 . 1 . 1 23 23 LEU CG C 13 26.786 0.095 . . . . . . A 23 LEU CG . 34448 1 255 . 1 . 1 23 23 LEU CD1 C 13 24.805 0.048 . . . . . . A 23 LEU CD1 . 34448 1 256 . 1 . 1 23 23 LEU CD2 C 13 26.162 0.076 . . . . . . A 23 LEU CD2 . 34448 1 257 . 1 . 1 23 23 LEU N N 15 121.195 0.007 . . . . . . A 23 LEU N . 34448 1 258 . 1 . 1 24 24 ALA H H 1 8.243 0.002 . . . . . . A 24 ALA H . 34448 1 259 . 1 . 1 24 24 ALA HA H 1 3.498 0.003 . . . . . . A 24 ALA HA . 34448 1 260 . 1 . 1 24 24 ALA HB1 H 1 0.871 0.002 . . . . . . A 24 ALA HB1 . 34448 1 261 . 1 . 1 24 24 ALA HB2 H 1 0.871 0.002 . . . . . . A 24 ALA HB2 . 34448 1 262 . 1 . 1 24 24 ALA HB3 H 1 0.871 0.002 . . . . . . A 24 ALA HB3 . 34448 1 263 . 1 . 1 24 24 ALA C C 13 180.228 0.008 . . . . . . A 24 ALA C . 34448 1 264 . 1 . 1 24 24 ALA CA C 13 55.461 0.131 . . . . . . A 24 ALA CA . 34448 1 265 . 1 . 1 24 24 ALA CB C 13 17.285 0.062 . . . . . . A 24 ALA CB . 34448 1 266 . 1 . 1 24 24 ALA N N 15 122.032 0.011 . . . . . . A 24 ALA N . 34448 1 267 . 1 . 1 25 25 ALA H H 1 7.306 0.002 . . . . . . A 25 ALA H . 34448 1 268 . 1 . 1 25 25 ALA HA H 1 4.083 0.006 . . . . . . A 25 ALA HA . 34448 1 269 . 1 . 1 25 25 ALA HB1 H 1 1.466 0.006 . . . . . . A 25 ALA HB1 . 34448 1 270 . 1 . 1 25 25 ALA HB2 H 1 1.466 0.006 . . . . . . A 25 ALA HB2 . 34448 1 271 . 1 . 1 25 25 ALA HB3 H 1 1.466 0.006 . . . . . . A 25 ALA HB3 . 34448 1 272 . 1 . 1 25 25 ALA C C 13 179.567 0.003 . . . . . . A 25 ALA C . 34448 1 273 . 1 . 1 25 25 ALA CA C 13 54.481 0.089 . . . . . . A 25 ALA CA . 34448 1 274 . 1 . 1 25 25 ALA CB C 13 18.118 0.090 . . . . . . A 25 ALA CB . 34448 1 275 . 1 . 1 25 25 ALA N N 15 119.329 0.010 . . . . . . A 25 ALA N . 34448 1 276 . 1 . 1 26 26 LEU H H 1 7.448 0.002 . . . . . . A 26 LEU H . 34448 1 277 . 1 . 1 26 26 LEU HA H 1 4.147 0.005 . . . . . . A 26 LEU HA . 34448 1 278 . 1 . 1 26 26 LEU HB2 H 1 1.801 0.001 . . . . . . A 26 LEU HB2 . 34448 1 279 . 1 . 1 26 26 LEU HB3 H 1 1.539 0.006 . . . . . . A 26 LEU HB3 . 34448 1 280 . 1 . 1 26 26 LEU HG H 1 1.674 0.004 . . . . . . A 26 LEU HG . 34448 1 281 . 1 . 1 26 26 LEU HD11 H 1 0.873 0.001 . . . . . . A 26 LEU HD11 . 34448 1 282 . 1 . 1 26 26 LEU HD12 H 1 0.873 0.001 . . . . . . A 26 LEU HD12 . 34448 1 283 . 1 . 1 26 26 LEU HD13 H 1 0.873 0.001 . . . . . . A 26 LEU HD13 . 34448 1 284 . 1 . 1 26 26 LEU HD21 H 1 0.877 0.003 . . . . . . A 26 LEU HD21 . 34448 1 285 . 1 . 1 26 26 LEU HD22 H 1 0.877 0.003 . . . . . . A 26 LEU HD22 . 34448 1 286 . 1 . 1 26 26 LEU HD23 H 1 0.877 0.003 . . . . . . A 26 LEU HD23 . 34448 1 287 . 1 . 1 26 26 LEU C C 13 178.328 0.007 . . . . . . A 26 LEU C . 34448 1 288 . 1 . 1 26 26 LEU CA C 13 57.190 0.095 . . . . . . A 26 LEU CA . 34448 1 289 . 1 . 1 26 26 LEU CB C 13 43.600 0.027 . . . . . . A 26 LEU CB . 34448 1 290 . 1 . 1 26 26 LEU CG C 13 26.928 0.055 . . . . . . A 26 LEU CG . 34448 1 291 . 1 . 1 26 26 LEU CD1 C 13 24.264 0.107 . . . . . . A 26 LEU CD1 . 34448 1 292 . 1 . 1 26 26 LEU CD2 C 13 25.075 0.077 . . . . . . A 26 LEU CD2 . 34448 1 293 . 1 . 1 26 26 LEU N N 15 117.944 0.004 . . . . . . A 26 LEU N . 34448 1 294 . 1 . 1 27 27 LEU H H 1 8.084 0.007 . . . . . . A 27 LEU H . 34448 1 295 . 1 . 1 27 27 LEU HA H 1 4.236 0.011 . . . . . . A 27 LEU HA . 34448 1 296 . 1 . 1 27 27 LEU HB2 H 1 1.763 0.002 . . . . . . A 27 LEU HB2 . 34448 1 297 . 1 . 1 27 27 LEU HB3 H 1 1.393 0.009 . . . . . . A 27 LEU HB3 . 34448 1 298 . 1 . 1 27 27 LEU HG H 1 1.828 0.016 . . . . . . A 27 LEU HG . 34448 1 299 . 1 . 1 27 27 LEU HD11 H 1 0.783 0.005 . . . . . . A 27 LEU HD11 . 34448 1 300 . 1 . 1 27 27 LEU HD12 H 1 0.783 0.005 . . . . . . A 27 LEU HD12 . 34448 1 301 . 1 . 1 27 27 LEU HD13 H 1 0.783 0.005 . . . . . . A 27 LEU HD13 . 34448 1 302 . 1 . 1 27 27 LEU HD21 H 1 1.041 0.004 . . . . . . A 27 LEU HD21 . 34448 1 303 . 1 . 1 27 27 LEU HD22 H 1 1.041 0.004 . . . . . . A 27 LEU HD22 . 34448 1 304 . 1 . 1 27 27 LEU HD23 H 1 1.041 0.004 . . . . . . A 27 LEU HD23 . 34448 1 305 . 1 . 1 27 27 LEU C C 13 177.814 0.013 . . . . . . A 27 LEU C . 34448 1 306 . 1 . 1 27 27 LEU CA C 13 55.121 0.065 . . . . . . A 27 LEU CA . 34448 1 307 . 1 . 1 27 27 LEU CB C 13 43.038 0.039 . . . . . . A 27 LEU CB . 34448 1 308 . 1 . 1 27 27 LEU CG C 13 27.236 0.056 . . . . . . A 27 LEU CG . 34448 1 309 . 1 . 1 27 27 LEU CD1 C 13 23.186 0.048 . . . . . . A 27 LEU CD1 . 34448 1 310 . 1 . 1 27 27 LEU CD2 C 13 26.407 0.061 . . . . . . A 27 LEU CD2 . 34448 1 311 . 1 . 1 27 27 LEU N N 15 115.234 0.000 . . . . . . A 27 LEU N . 34448 1 312 . 1 . 1 28 28 GLY H H 1 7.716 0.003 . . . . . . A 28 GLY H . 34448 1 313 . 1 . 1 28 28 GLY HA2 H 1 3.749 0.015 . . . . . . A 28 GLY HA2 . 34448 1 314 . 1 . 1 28 28 GLY HA3 H 1 3.749 0.015 . . . . . . A 28 GLY HA3 . 34448 1 315 . 1 . 1 28 28 GLY C C 13 176.260 0.023 . . . . . . A 28 GLY C . 34448 1 316 . 1 . 1 28 28 GLY CA C 13 46.476 0.077 . . . . . . A 28 GLY CA . 34448 1 317 . 1 . 1 28 28 GLY N N 15 107.668 0.010 . . . . . . A 28 GLY N . 34448 1 318 . 1 . 1 29 29 LYS H H 1 8.808 0.003 . . . . . . A 29 LYS H . 34448 1 319 . 1 . 1 29 29 LYS HA H 1 4.204 0.003 . . . . . . A 29 LYS HA . 34448 1 320 . 1 . 1 29 29 LYS HB2 H 1 1.895 0.002 . . . . . . A 29 LYS HB2 . 34448 1 321 . 1 . 1 29 29 LYS HB3 H 1 1.809 0.003 . . . . . . A 29 LYS HB3 . 34448 1 322 . 1 . 1 29 29 LYS HG2 H 1 1.484 0.005 . . . . . . A 29 LYS HG2 . 34448 1 323 . 1 . 1 29 29 LYS HG3 H 1 1.353 0.003 . . . . . . A 29 LYS HG3 . 34448 1 324 . 1 . 1 29 29 LYS HD2 H 1 1.666 0.004 . . . . . . A 29 LYS HD2 . 34448 1 325 . 1 . 1 29 29 LYS HD3 H 1 1.666 0.004 . . . . . . A 29 LYS HD3 . 34448 1 326 . 1 . 1 29 29 LYS HE2 H 1 2.995 0.001 . . . . . . A 29 LYS HE2 . 34448 1 327 . 1 . 1 29 29 LYS HE3 H 1 2.995 0.001 . . . . . . A 29 LYS HE3 . 34448 1 328 . 1 . 1 29 29 LYS C C 13 176.910 0.016 . . . . . . A 29 LYS C . 34448 1 329 . 1 . 1 29 29 LYS CA C 13 57.891 0.037 . . . . . . A 29 LYS CA . 34448 1 330 . 1 . 1 29 29 LYS CB C 13 32.226 0.028 . . . . . . A 29 LYS CB . 34448 1 331 . 1 . 1 29 29 LYS CG C 13 24.282 0.055 . . . . . . A 29 LYS CG . 34448 1 332 . 1 . 1 29 29 LYS CD C 13 29.400 0.071 . . . . . . A 29 LYS CD . 34448 1 333 . 1 . 1 29 29 LYS CE C 13 42.101 0.060 . . . . . . A 29 LYS CE . 34448 1 334 . 1 . 1 29 29 LYS N N 15 124.948 0.009 . . . . . . A 29 LYS N . 34448 1 335 . 1 . 1 30 30 GLU H H 1 8.079 0.002 . . . . . . A 30 GLU H . 34448 1 336 . 1 . 1 30 30 GLU HA H 1 4.480 0.003 . . . . . . A 30 GLU HA . 34448 1 337 . 1 . 1 30 30 GLU HB2 H 1 2.106 0.001 . . . . . . A 30 GLU HB2 . 34448 1 338 . 1 . 1 30 30 GLU HB3 H 1 1.757 0.007 . . . . . . A 30 GLU HB3 . 34448 1 339 . 1 . 1 30 30 GLU HG2 H 1 2.197 0.006 . . . . . . A 30 GLU HG2 . 34448 1 340 . 1 . 1 30 30 GLU HG3 H 1 2.197 0.006 . . . . . . A 30 GLU HG3 . 34448 1 341 . 1 . 1 30 30 GLU C C 13 176.135 0.012 . . . . . . A 30 GLU C . 34448 1 342 . 1 . 1 30 30 GLU CA C 13 55.484 0.073 . . . . . . A 30 GLU CA . 34448 1 343 . 1 . 1 30 30 GLU CB C 13 28.617 0.076 . . . . . . A 30 GLU CB . 34448 1 344 . 1 . 1 30 30 GLU CG C 13 35.382 0.051 . . . . . . A 30 GLU CG . 34448 1 345 . 1 . 1 30 30 GLU N N 15 117.198 0.011 . . . . . . A 30 GLU N . 34448 1 346 . 1 . 1 31 31 PHE H H 1 7.482 0.003 . . . . . . A 31 PHE H . 34448 1 347 . 1 . 1 31 31 PHE HA H 1 4.135 0.005 . . . . . . A 31 PHE HA . 34448 1 348 . 1 . 1 31 31 PHE HB2 H 1 3.000 0.015 . . . . . . A 31 PHE HB2 . 34448 1 349 . 1 . 1 31 31 PHE HB3 H 1 2.978 0.002 . . . . . . A 31 PHE HB3 . 34448 1 350 . 1 . 1 31 31 PHE HD1 H 1 6.951 0.004 . . . . . . A 31 PHE HD1 . 34448 1 351 . 1 . 1 31 31 PHE HD2 H 1 6.951 0.004 . . . . . . A 31 PHE HD2 . 34448 1 352 . 1 . 1 31 31 PHE HE1 H 1 7.204 0.004 . . . . . . A 31 PHE HE1 . 34448 1 353 . 1 . 1 31 31 PHE HE2 H 1 7.204 0.004 . . . . . . A 31 PHE HE2 . 34448 1 354 . 1 . 1 31 31 PHE HZ H 1 7.188 0.004 . . . . . . A 31 PHE HZ . 34448 1 355 . 1 . 1 31 31 PHE C C 13 175.020 0.000 . . . . . . A 31 PHE C . 34448 1 356 . 1 . 1 31 31 PHE CA C 13 58.782 0.150 . . . . . . A 31 PHE CA . 34448 1 357 . 1 . 1 31 31 PHE CB C 13 39.831 0.029 . . . . . . A 31 PHE CB . 34448 1 358 . 1 . 1 31 31 PHE CD1 C 13 131.388 0.057 . . . . . . A 31 PHE CD1 . 34448 1 359 . 1 . 1 31 31 PHE CE1 C 13 131.794 0.121 . . . . . . A 31 PHE CE1 . 34448 1 360 . 1 . 1 31 31 PHE CZ C 13 129.810 0.001 . . . . . . A 31 PHE CZ . 34448 1 361 . 1 . 1 31 31 PHE N N 15 119.069 0.012 . . . . . . A 31 PHE N . 34448 1 362 . 1 . 1 32 32 ILE H H 1 8.677 0.004 . . . . . . A 32 ILE H . 34448 1 363 . 1 . 1 32 32 ILE HA H 1 3.887 0.002 . . . . . . A 32 ILE HA . 34448 1 364 . 1 . 1 32 32 ILE HB H 1 1.645 0.007 . . . . . . A 32 ILE HB . 34448 1 365 . 1 . 1 32 32 ILE HG12 H 1 1.617 0.012 . . . . . . A 32 ILE HG12 . 34448 1 366 . 1 . 1 32 32 ILE HG13 H 1 1.039 0.002 . . . . . . A 32 ILE HG13 . 34448 1 367 . 1 . 1 32 32 ILE HG21 H 1 0.756 0.007 . . . . . . A 32 ILE HG21 . 34448 1 368 . 1 . 1 32 32 ILE HG22 H 1 0.756 0.007 . . . . . . A 32 ILE HG22 . 34448 1 369 . 1 . 1 32 32 ILE HG23 H 1 0.756 0.007 . . . . . . A 32 ILE HG23 . 34448 1 370 . 1 . 1 32 32 ILE HD11 H 1 0.803 0.002 . . . . . . A 32 ILE HD11 . 34448 1 371 . 1 . 1 32 32 ILE HD12 H 1 0.803 0.002 . . . . . . A 32 ILE HD12 . 34448 1 372 . 1 . 1 32 32 ILE HD13 H 1 0.803 0.002 . . . . . . A 32 ILE HD13 . 34448 1 373 . 1 . 1 32 32 ILE C C 13 175.607 0.011 . . . . . . A 32 ILE C . 34448 1 374 . 1 . 1 32 32 ILE CA C 13 61.330 0.132 . . . . . . A 32 ILE CA . 34448 1 375 . 1 . 1 32 32 ILE CB C 13 38.222 0.098 . . . . . . A 32 ILE CB . 34448 1 376 . 1 . 1 32 32 ILE CG1 C 13 27.449 0.060 . . . . . . A 32 ILE CG1 . 34448 1 377 . 1 . 1 32 32 ILE CG2 C 13 17.463 0.069 . . . . . . A 32 ILE CG2 . 34448 1 378 . 1 . 1 32 32 ILE CD1 C 13 13.578 0.062 . . . . . . A 32 ILE CD1 . 34448 1 379 . 1 . 1 32 32 ILE N N 15 128.993 0.000 . . . . . . A 32 ILE N . 34448 1 380 . 1 . 1 33 33 ARG H H 1 8.305 0.004 . . . . . . A 33 ARG H . 34448 1 381 . 1 . 1 33 33 ARG HA H 1 4.206 0.003 . . . . . . A 33 ARG HA . 34448 1 382 . 1 . 1 33 33 ARG HB2 H 1 1.706 0.001 . . . . . . A 33 ARG HB2 . 34448 1 383 . 1 . 1 33 33 ARG HB3 H 1 1.805 0.004 . . . . . . A 33 ARG HB3 . 34448 1 384 . 1 . 1 33 33 ARG HG2 H 1 1.635 0.007 . . . . . . A 33 ARG HG2 . 34448 1 385 . 1 . 1 33 33 ARG HG3 H 1 1.635 0.007 . . . . . . A 33 ARG HG3 . 34448 1 386 . 1 . 1 33 33 ARG HD2 H 1 3.212 0.005 . . . . . . A 33 ARG HD2 . 34448 1 387 . 1 . 1 33 33 ARG HD3 H 1 3.212 0.005 . . . . . . A 33 ARG HD3 . 34448 1 388 . 1 . 1 33 33 ARG HE H 1 7.322 0.002 . . . . . . A 33 ARG HE . 34448 1 389 . 1 . 1 33 33 ARG C C 13 176.192 0.007 . . . . . . A 33 ARG C . 34448 1 390 . 1 . 1 33 33 ARG CA C 13 55.633 0.098 . . . . . . A 33 ARG CA . 34448 1 391 . 1 . 1 33 33 ARG CB C 13 31.168 0.073 . . . . . . A 33 ARG CB . 34448 1 392 . 1 . 1 33 33 ARG CG C 13 27.467 0.042 . . . . . . A 33 ARG CG . 34448 1 393 . 1 . 1 33 33 ARG CD C 13 43.465 0.080 . . . . . . A 33 ARG CD . 34448 1 394 . 1 . 1 33 33 ARG N N 15 126.677 0.004 . . . . . . A 33 ARG N . 34448 1 395 . 1 . 1 33 33 ARG NE N 15 84.653 0.057 . . . . . . A 33 ARG NE . 34448 1 396 . 1 . 1 34 34 GLU H H 1 8.621 0.002 . . . . . . A 34 GLU H . 34448 1 397 . 1 . 1 34 34 GLU HA H 1 4.245 0.005 . . . . . . A 34 GLU HA . 34448 1 398 . 1 . 1 34 34 GLU HB2 H 1 2.033 0.003 . . . . . . A 34 GLU HB2 . 34448 1 399 . 1 . 1 34 34 GLU HB3 H 1 1.958 0.002 . . . . . . A 34 GLU HB3 . 34448 1 400 . 1 . 1 34 34 GLU HG2 H 1 2.248 0.003 . . . . . . A 34 GLU HG2 . 34448 1 401 . 1 . 1 34 34 GLU HG3 H 1 2.248 0.003 . . . . . . A 34 GLU HG3 . 34448 1 402 . 1 . 1 34 34 GLU C C 13 177.265 0.008 . . . . . . A 34 GLU C . 34448 1 403 . 1 . 1 34 34 GLU CA C 13 57.175 0.126 . . . . . . A 34 GLU CA . 34448 1 404 . 1 . 1 34 34 GLU CB C 13 30.075 0.058 . . . . . . A 34 GLU CB . 34448 1 405 . 1 . 1 34 34 GLU CG C 13 36.233 0.062 . . . . . . A 34 GLU CG . 34448 1 406 . 1 . 1 34 34 GLU N N 15 123.820 0.003 . . . . . . A 34 GLU N . 34448 1 407 . 1 . 1 35 35 GLY H H 1 8.620 0.002 . . . . . . A 35 GLY H . 34448 1 408 . 1 . 1 35 35 GLY HA2 H 1 3.999 0.000 . . . . . . A 35 GLY HA2 . 34448 1 409 . 1 . 1 35 35 GLY HA3 H 1 3.999 0.000 . . . . . . A 35 GLY HA3 . 34448 1 410 . 1 . 1 35 35 GLY C C 13 174.960 0.000 . . . . . . A 35 GLY C . 34448 1 411 . 1 . 1 35 35 GLY CA C 13 45.525 0.000 . . . . . . A 35 GLY CA . 34448 1 412 . 1 . 1 35 35 GLY N N 15 111.154 0.021 . . . . . . A 35 GLY N . 34448 1 413 . 1 . 1 37 37 GLY H H 1 8.357 0.002 . . . . . . A 37 GLY H . 34448 1 414 . 1 . 1 37 37 GLY HA2 H 1 3.993 0.000 . . . . . . A 37 GLY HA2 . 34448 1 415 . 1 . 1 37 37 GLY HA3 H 1 3.993 0.000 . . . . . . A 37 GLY HA3 . 34448 1 416 . 1 . 1 37 37 GLY N N 15 108.819 0.006 . . . . . . A 37 GLY N . 34448 1 417 . 1 . 1 38 38 SER H H 1 8.401 0.003 . . . . . . A 38 SER H . 34448 1 418 . 1 . 1 38 38 SER HA H 1 4.516 0.000 . . . . . . A 38 SER HA . 34448 1 419 . 1 . 1 38 38 SER N N 15 115.689 0.012 . . . . . . A 38 SER N . 34448 1 420 . 1 . 1 39 39 GLY H H 1 8.562 0.009 . . . . . . A 39 GLY H . 34448 1 421 . 1 . 1 39 39 GLY HA2 H 1 4.004 0.000 . . . . . . A 39 GLY HA2 . 34448 1 422 . 1 . 1 39 39 GLY HA3 H 1 4.004 0.000 . . . . . . A 39 GLY HA3 . 34448 1 423 . 1 . 1 39 39 GLY N N 15 110.982 0.001 . . . . . . A 39 GLY N . 34448 1 424 . 1 . 1 40 40 GLY H H 1 8.299 0.002 . . . . . . A 40 GLY H . 34448 1 425 . 1 . 1 40 40 GLY HA2 H 1 3.983 0.000 . . . . . . A 40 GLY HA2 . 34448 1 426 . 1 . 1 40 40 GLY HA3 H 1 3.983 0.000 . . . . . . A 40 GLY HA3 . 34448 1 427 . 1 . 1 40 40 GLY N N 15 108.621 0.006 . . . . . . A 40 GLY N . 34448 1 428 . 1 . 1 46 46 SER H H 1 8.308 0.002 . . . . . . A 46 SER H . 34448 1 429 . 1 . 1 46 46 SER HA H 1 4.427 0.013 . . . . . . A 46 SER HA . 34448 1 430 . 1 . 1 46 46 SER HB2 H 1 3.764 0.002 . . . . . . A 46 SER HB2 . 34448 1 431 . 1 . 1 46 46 SER HB3 H 1 3.764 0.002 . . . . . . A 46 SER HB3 . 34448 1 432 . 1 . 1 46 46 SER C C 13 174.789 0.000 . . . . . . A 46 SER C . 34448 1 433 . 1 . 1 46 46 SER CA C 13 58.513 0.093 . . . . . . A 46 SER CA . 34448 1 434 . 1 . 1 46 46 SER CB C 13 63.883 0.060 . . . . . . A 46 SER CB . 34448 1 435 . 1 . 1 46 46 SER N N 15 115.657 0.014 . . . . . . A 46 SER N . 34448 1 436 . 1 . 1 47 47 MET H H 1 8.449 0.002 . . . . . . A 47 MET H . 34448 1 437 . 1 . 1 47 47 MET HA H 1 4.478 0.003 . . . . . . A 47 MET HA . 34448 1 438 . 1 . 1 47 47 MET HB2 H 1 1.995 0.004 . . . . . . A 47 MET HB2 . 34448 1 439 . 1 . 1 47 47 MET HB3 H 1 2.094 0.004 . . . . . . A 47 MET HB3 . 34448 1 440 . 1 . 1 47 47 MET HG2 H 1 2.585 0.009 . . . . . . A 47 MET HG2 . 34448 1 441 . 1 . 1 47 47 MET HG3 H 1 2.510 0.003 . . . . . . A 47 MET HG3 . 34448 1 442 . 1 . 1 47 47 MET HE1 H 1 2.081 0.000 . . . . . . A 47 MET HE1 . 34448 1 443 . 1 . 1 47 47 MET HE2 H 1 2.081 0.000 . . . . . . A 47 MET HE2 . 34448 1 444 . 1 . 1 47 47 MET HE3 H 1 2.081 0.000 . . . . . . A 47 MET HE3 . 34448 1 445 . 1 . 1 47 47 MET C C 13 175.934 0.003 . . . . . . A 47 MET C . 34448 1 446 . 1 . 1 47 47 MET CA C 13 55.690 0.095 . . . . . . A 47 MET CA . 34448 1 447 . 1 . 1 47 47 MET CB C 13 32.670 0.052 . . . . . . A 47 MET CB . 34448 1 448 . 1 . 1 47 47 MET CG C 13 32.052 0.011 . . . . . . A 47 MET CG . 34448 1 449 . 1 . 1 47 47 MET CE C 13 16.952 0.000 . . . . . . A 47 MET CE . 34448 1 450 . 1 . 1 47 47 MET N N 15 121.766 0.006 . . . . . . A 47 MET N . 34448 1 451 . 1 . 1 48 48 ASN H H 1 8.378 0.002 . . . . . . A 48 ASN H . 34448 1 452 . 1 . 1 48 48 ASN HA H 1 4.675 0.007 . . . . . . A 48 ASN HA . 34448 1 453 . 1 . 1 48 48 ASN HB2 H 1 2.691 0.003 . . . . . . A 48 ASN HB2 . 34448 1 454 . 1 . 1 48 48 ASN HB3 H 1 2.770 0.006 . . . . . . A 48 ASN HB3 . 34448 1 455 . 1 . 1 48 48 ASN HD21 H 1 7.591 0.001 . . . . . . A 48 ASN HD21 . 34448 1 456 . 1 . 1 48 48 ASN HD22 H 1 6.925 0.001 . . . . . . A 48 ASN HD22 . 34448 1 457 . 1 . 1 48 48 ASN C C 13 174.645 0.002 . . . . . . A 48 ASN C . 34448 1 458 . 1 . 1 48 48 ASN CA C 13 53.212 0.122 . . . . . . A 48 ASN CA . 34448 1 459 . 1 . 1 48 48 ASN CB C 13 38.904 0.035 . . . . . . A 48 ASN CB . 34448 1 460 . 1 . 1 48 48 ASN N N 15 119.711 0.002 . . . . . . A 48 ASN N . 34448 1 461 . 1 . 1 48 48 ASN ND2 N 15 113.021 0.003 . . . . . . A 48 ASN ND2 . 34448 1 462 . 1 . 1 49 49 LYS H H 1 8.241 0.002 . . . . . . A 49 LYS H . 34448 1 463 . 1 . 1 49 49 LYS HA H 1 4.604 0.003 . . . . . . A 49 LYS HA . 34448 1 464 . 1 . 1 49 49 LYS HB2 H 1 1.812 0.001 . . . . . . A 49 LYS HB2 . 34448 1 465 . 1 . 1 49 49 LYS HB3 H 1 1.712 0.001 . . . . . . A 49 LYS HB3 . 34448 1 466 . 1 . 1 49 49 LYS HG2 H 1 1.444 0.002 . . . . . . A 49 LYS HG2 . 34448 1 467 . 1 . 1 49 49 LYS HG3 H 1 1.444 0.002 . . . . . . A 49 LYS HG3 . 34448 1 468 . 1 . 1 49 49 LYS HD2 H 1 1.685 0.003 . . . . . . A 49 LYS HD2 . 34448 1 469 . 1 . 1 49 49 LYS HD3 H 1 1.685 0.003 . . . . . . A 49 LYS HD3 . 34448 1 470 . 1 . 1 49 49 LYS HE2 H 1 2.995 0.001 . . . . . . A 49 LYS HE2 . 34448 1 471 . 1 . 1 49 49 LYS HE3 H 1 2.995 0.001 . . . . . . A 49 LYS HE3 . 34448 1 472 . 1 . 1 49 49 LYS C C 13 174.429 0.000 . . . . . . A 49 LYS C . 34448 1 473 . 1 . 1 49 49 LYS CA C 13 54.276 0.085 . . . . . . A 49 LYS CA . 34448 1 474 . 1 . 1 49 49 LYS CB C 13 32.605 0.027 . . . . . . A 49 LYS CB . 34448 1 475 . 1 . 1 49 49 LYS CG C 13 24.563 0.055 . . . . . . A 49 LYS CG . 34448 1 476 . 1 . 1 49 49 LYS CD C 13 29.228 0.059 . . . . . . A 49 LYS CD . 34448 1 477 . 1 . 1 49 49 LYS CE C 13 42.203 0.003 . . . . . . A 49 LYS CE . 34448 1 478 . 1 . 1 49 49 LYS N N 15 122.854 0.003 . . . . . . A 49 LYS N . 34448 1 479 . 1 . 1 50 50 PRO HA H 1 4.527 0.001 . . . . . . A 50 PRO HA . 34448 1 480 . 1 . 1 50 50 PRO HB2 H 1 1.939 0.003 . . . . . . A 50 PRO HB2 . 34448 1 481 . 1 . 1 50 50 PRO HB3 H 1 2.322 0.006 . . . . . . A 50 PRO HB3 . 34448 1 482 . 1 . 1 50 50 PRO HG2 H 1 2.017 0.006 . . . . . . A 50 PRO HG2 . 34448 1 483 . 1 . 1 50 50 PRO HG3 H 1 2.017 0.006 . . . . . . A 50 PRO HG3 . 34448 1 484 . 1 . 1 50 50 PRO HD2 H 1 3.803 0.003 . . . . . . A 50 PRO HD2 . 34448 1 485 . 1 . 1 50 50 PRO HD3 H 1 3.646 0.002 . . . . . . A 50 PRO HD3 . 34448 1 486 . 1 . 1 50 50 PRO C C 13 177.207 0.003 . . . . . . A 50 PRO C . 34448 1 487 . 1 . 1 50 50 PRO CA C 13 63.274 0.117 . . . . . . A 50 PRO CA . 34448 1 488 . 1 . 1 50 50 PRO CB C 13 32.263 0.065 . . . . . . A 50 PRO CB . 34448 1 489 . 1 . 1 50 50 PRO CG C 13 27.429 0.023 . . . . . . A 50 PRO CG . 34448 1 490 . 1 . 1 50 50 PRO CD C 13 50.699 0.038 . . . . . . A 50 PRO CD . 34448 1 491 . 1 . 1 51 51 THR H H 1 8.391 0.002 . . . . . . A 51 THR H . 34448 1 492 . 1 . 1 51 51 THR HA H 1 4.393 0.003 . . . . . . A 51 THR HA . 34448 1 493 . 1 . 1 51 51 THR HB H 1 4.282 0.004 . . . . . . A 51 THR HB . 34448 1 494 . 1 . 1 51 51 THR HG21 H 1 1.238 0.001 . . . . . . A 51 THR HG21 . 34448 1 495 . 1 . 1 51 51 THR HG22 H 1 1.238 0.001 . . . . . . A 51 THR HG22 . 34448 1 496 . 1 . 1 51 51 THR HG23 H 1 1.238 0.001 . . . . . . A 51 THR HG23 . 34448 1 497 . 1 . 1 51 51 THR C C 13 174.869 0.008 . . . . . . A 51 THR C . 34448 1 498 . 1 . 1 51 51 THR CA C 13 61.833 0.146 . . . . . . A 51 THR CA . 34448 1 499 . 1 . 1 51 51 THR CB C 13 70.289 0.166 . . . . . . A 51 THR CB . 34448 1 500 . 1 . 1 51 51 THR CG2 C 13 21.677 0.000 . . . . . . A 51 THR CG2 . 34448 1 501 . 1 . 1 51 51 THR N N 15 114.254 0.002 . . . . . . A 51 THR N . 34448 1 502 . 1 . 1 52 52 SER H H 1 8.416 0.002 . . . . . . A 52 SER H . 34448 1 503 . 1 . 1 52 52 SER HA H 1 4.526 0.003 . . . . . . A 52 SER HA . 34448 1 504 . 1 . 1 52 52 SER HB2 H 1 3.880 0.009 . . . . . . A 52 SER HB2 . 34448 1 505 . 1 . 1 52 52 SER HB3 H 1 3.880 0.009 . . . . . . A 52 SER HB3 . 34448 1 506 . 1 . 1 52 52 SER C C 13 174.891 0.007 . . . . . . A 52 SER C . 34448 1 507 . 1 . 1 52 52 SER CA C 13 58.500 0.112 . . . . . . A 52 SER CA . 34448 1 508 . 1 . 1 52 52 SER CB C 13 64.028 0.074 . . . . . . A 52 SER CB . 34448 1 509 . 1 . 1 52 52 SER N N 15 117.776 0.003 . . . . . . A 52 SER N . 34448 1 510 . 1 . 1 53 53 SER H H 1 8.530 0.001 . . . . . . A 53 SER H . 34448 1 511 . 1 . 1 53 53 SER HA H 1 4.521 0.007 . . . . . . A 53 SER HA . 34448 1 512 . 1 . 1 53 53 SER HB2 H 1 3.892 0.003 . . . . . . A 53 SER HB2 . 34448 1 513 . 1 . 1 53 53 SER HB3 H 1 3.892 0.003 . . . . . . A 53 SER HB3 . 34448 1 514 . 1 . 1 53 53 SER C C 13 174.434 0.023 . . . . . . A 53 SER C . 34448 1 515 . 1 . 1 53 53 SER CA C 13 58.898 0.131 . . . . . . A 53 SER CA . 34448 1 516 . 1 . 1 53 53 SER CB C 13 63.845 0.117 . . . . . . A 53 SER CB . 34448 1 517 . 1 . 1 53 53 SER N N 15 117.867 0.007 . . . . . . A 53 SER N . 34448 1 518 . 1 . 1 54 54 ASP H H 1 8.320 0.001 . . . . . . A 54 ASP H . 34448 1 519 . 1 . 1 54 54 ASP HA H 1 4.710 0.005 . . . . . . A 54 ASP HA . 34448 1 520 . 1 . 1 54 54 ASP HB2 H 1 2.683 0.013 . . . . . . A 54 ASP HB2 . 34448 1 521 . 1 . 1 54 54 ASP HB3 H 1 2.621 0.002 . . . . . . A 54 ASP HB3 . 34448 1 522 . 1 . 1 54 54 ASP C C 13 176.919 0.014 . . . . . . A 54 ASP C . 34448 1 523 . 1 . 1 54 54 ASP CA C 13 54.545 0.117 . . . . . . A 54 ASP CA . 34448 1 524 . 1 . 1 54 54 ASP CB C 13 41.297 0.037 . . . . . . A 54 ASP CB . 34448 1 525 . 1 . 1 54 54 ASP N N 15 121.713 0.012 . . . . . . A 54 ASP N . 34448 1 526 . 1 . 1 55 55 GLY H H 1 8.411 0.002 . . . . . . A 55 GLY H . 34448 1 527 . 1 . 1 55 55 GLY HA2 H 1 4.019 0.010 . . . . . . A 55 GLY HA2 . 34448 1 528 . 1 . 1 55 55 GLY HA3 H 1 4.019 0.010 . . . . . . A 55 GLY HA3 . 34448 1 529 . 1 . 1 55 55 GLY C C 13 174.988 0.016 . . . . . . A 55 GLY C . 34448 1 530 . 1 . 1 55 55 GLY CA C 13 46.535 0.120 . . . . . . A 55 GLY CA . 34448 1 531 . 1 . 1 55 55 GLY N N 15 109.535 0.008 . . . . . . A 55 GLY N . 34448 1 532 . 1 . 1 56 56 TRP H H 1 8.042 0.002 . . . . . . A 56 TRP H . 34448 1 533 . 1 . 1 56 56 TRP HA H 1 4.551 0.005 . . . . . . A 56 TRP HA . 34448 1 534 . 1 . 1 56 56 TRP HB2 H 1 3.498 0.003 . . . . . . A 56 TRP HB2 . 34448 1 535 . 1 . 1 56 56 TRP HB3 H 1 3.170 0.005 . . . . . . A 56 TRP HB3 . 34448 1 536 . 1 . 1 56 56 TRP HD1 H 1 7.428 0.002 . . . . . . A 56 TRP HD1 . 34448 1 537 . 1 . 1 56 56 TRP HE1 H 1 10.360 0.003 . . . . . . A 56 TRP HE1 . 34448 1 538 . 1 . 1 56 56 TRP HE3 H 1 7.173 0.015 . . . . . . A 56 TRP HE3 . 34448 1 539 . 1 . 1 56 56 TRP HZ2 H 1 7.137 0.002 . . . . . . A 56 TRP HZ2 . 34448 1 540 . 1 . 1 56 56 TRP HZ3 H 1 6.140 0.010 . . . . . . A 56 TRP HZ3 . 34448 1 541 . 1 . 1 56 56 TRP HH2 H 1 6.752 0.009 . . . . . . A 56 TRP HH2 . 34448 1 542 . 1 . 1 56 56 TRP C C 13 177.651 0.008 . . . . . . A 56 TRP C . 34448 1 543 . 1 . 1 56 56 TRP CA C 13 58.400 0.100 . . . . . . A 56 TRP CA . 34448 1 544 . 1 . 1 56 56 TRP CB C 13 28.953 0.048 . . . . . . A 56 TRP CB . 34448 1 545 . 1 . 1 56 56 TRP CD1 C 13 127.507 0.028 . . . . . . A 56 TRP CD1 . 34448 1 546 . 1 . 1 56 56 TRP CE3 C 13 121.001 0.000 . . . . . . A 56 TRP CE3 . 34448 1 547 . 1 . 1 56 56 TRP CZ2 C 13 114.218 0.011 . . . . . . A 56 TRP CZ2 . 34448 1 548 . 1 . 1 56 56 TRP CZ3 C 13 120.844 0.091 . . . . . . A 56 TRP CZ3 . 34448 1 549 . 1 . 1 56 56 TRP CH2 C 13 123.171 0.037 . . . . . . A 56 TRP CH2 . 34448 1 550 . 1 . 1 56 56 TRP N N 15 119.982 0.009 . . . . . . A 56 TRP N . 34448 1 551 . 1 . 1 56 56 TRP NE1 N 15 130.161 0.013 . . . . . . A 56 TRP NE1 . 34448 1 552 . 1 . 1 57 57 LYS H H 1 7.256 0.002 . . . . . . A 57 LYS H . 34448 1 553 . 1 . 1 57 57 LYS HA H 1 3.049 0.008 . . . . . . A 57 LYS HA . 34448 1 554 . 1 . 1 57 57 LYS HB2 H 1 1.255 0.005 . . . . . . A 57 LYS HB2 . 34448 1 555 . 1 . 1 57 57 LYS HB3 H 1 1.151 0.004 . . . . . . A 57 LYS HB3 . 34448 1 556 . 1 . 1 57 57 LYS HG2 H 1 0.399 0.003 . . . . . . A 57 LYS HG2 . 34448 1 557 . 1 . 1 57 57 LYS HG3 H 1 0.296 0.006 . . . . . . A 57 LYS HG3 . 34448 1 558 . 1 . 1 57 57 LYS HD2 H 1 1.403 0.004 . . . . . . A 57 LYS HD2 . 34448 1 559 . 1 . 1 57 57 LYS HD3 H 1 1.403 0.004 . . . . . . A 57 LYS HD3 . 34448 1 560 . 1 . 1 57 57 LYS HE2 H 1 2.750 0.001 . . . . . . A 57 LYS HE2 . 34448 1 561 . 1 . 1 57 57 LYS HE3 H 1 2.750 0.001 . . . . . . A 57 LYS HE3 . 34448 1 562 . 1 . 1 57 57 LYS C C 13 177.411 0.003 . . . . . . A 57 LYS C . 34448 1 563 . 1 . 1 57 57 LYS CA C 13 60.413 0.114 . . . . . . A 57 LYS CA . 34448 1 564 . 1 . 1 57 57 LYS CB C 13 31.916 0.072 . . . . . . A 57 LYS CB . 34448 1 565 . 1 . 1 57 57 LYS CG C 13 24.343 0.029 . . . . . . A 57 LYS CG . 34448 1 566 . 1 . 1 57 57 LYS CD C 13 29.494 0.088 . . . . . . A 57 LYS CD . 34448 1 567 . 1 . 1 57 57 LYS CE C 13 42.096 0.061 . . . . . . A 57 LYS CE . 34448 1 568 . 1 . 1 57 57 LYS N N 15 122.806 0.007 . . . . . . A 57 LYS N . 34448 1 569 . 1 . 1 58 58 ASP H H 1 7.752 0.002 . . . . . . A 58 ASP H . 34448 1 570 . 1 . 1 58 58 ASP HA H 1 4.290 0.002 . . . . . . A 58 ASP HA . 34448 1 571 . 1 . 1 58 58 ASP HB2 H 1 2.668 0.008 . . . . . . A 58 ASP HB2 . 34448 1 572 . 1 . 1 58 58 ASP HB3 H 1 2.668 0.008 . . . . . . A 58 ASP HB3 . 34448 1 573 . 1 . 1 58 58 ASP C C 13 179.105 0.006 . . . . . . A 58 ASP C . 34448 1 574 . 1 . 1 58 58 ASP CA C 13 57.813 0.088 . . . . . . A 58 ASP CA . 34448 1 575 . 1 . 1 58 58 ASP CB C 13 40.260 0.031 . . . . . . A 58 ASP CB . 34448 1 576 . 1 . 1 58 58 ASP N N 15 118.461 0.009 . . . . . . A 58 ASP N . 34448 1 577 . 1 . 1 59 59 ASP H H 1 8.083 0.002 . . . . . . A 59 ASP H . 34448 1 578 . 1 . 1 59 59 ASP HA H 1 4.394 0.006 . . . . . . A 59 ASP HA . 34448 1 579 . 1 . 1 59 59 ASP HB2 H 1 2.790 0.009 . . . . . . A 59 ASP HB2 . 34448 1 580 . 1 . 1 59 59 ASP HB3 H 1 2.720 0.003 . . . . . . A 59 ASP HB3 . 34448 1 581 . 1 . 1 59 59 ASP C C 13 177.919 0.004 . . . . . . A 59 ASP C . 34448 1 582 . 1 . 1 59 59 ASP CA C 13 57.335 0.158 . . . . . . A 59 ASP CA . 34448 1 583 . 1 . 1 59 59 ASP CB C 13 41.561 0.041 . . . . . . A 59 ASP CB . 34448 1 584 . 1 . 1 59 59 ASP N N 15 120.360 0.011 . . . . . . A 59 ASP N . 34448 1 585 . 1 . 1 60 60 TYR H H 1 8.182 0.005 . . . . . . A 60 TYR H . 34448 1 586 . 1 . 1 60 60 TYR HA H 1 3.964 0.003 . . . . . . A 60 TYR HA . 34448 1 587 . 1 . 1 60 60 TYR HB2 H 1 2.961 0.009 . . . . . . A 60 TYR HB2 . 34448 1 588 . 1 . 1 60 60 TYR HB3 H 1 3.304 0.003 . . . . . . A 60 TYR HB3 . 34448 1 589 . 1 . 1 60 60 TYR HD1 H 1 7.050 0.003 . . . . . . A 60 TYR HD1 . 34448 1 590 . 1 . 1 60 60 TYR HD2 H 1 7.050 0.003 . . . . . . A 60 TYR HD2 . 34448 1 591 . 1 . 1 60 60 TYR HE1 H 1 6.694 0.002 . . . . . . A 60 TYR HE1 . 34448 1 592 . 1 . 1 60 60 TYR HE2 H 1 6.694 0.002 . . . . . . A 60 TYR HE2 . 34448 1 593 . 1 . 1 60 60 TYR C C 13 178.407 0.000 . . . . . . A 60 TYR C . 34448 1 594 . 1 . 1 60 60 TYR CA C 13 62.870 0.120 . . . . . . A 60 TYR CA . 34448 1 595 . 1 . 1 60 60 TYR CB C 13 40.319 0.041 . . . . . . A 60 TYR CB . 34448 1 596 . 1 . 1 60 60 TYR CD1 C 13 132.985 0.032 . . . . . . A 60 TYR CD1 . 34448 1 597 . 1 . 1 60 60 TYR CE1 C 13 117.703 0.029 . . . . . . A 60 TYR CE1 . 34448 1 598 . 1 . 1 60 60 TYR N N 15 122.423 0.000 . . . . . . A 60 TYR N . 34448 1 599 . 1 . 1 61 61 LEU H H 1 8.862 0.004 . . . . . . A 61 LEU H . 34448 1 600 . 1 . 1 61 61 LEU HA H 1 3.972 0.004 . . . . . . A 61 LEU HA . 34448 1 601 . 1 . 1 61 61 LEU HB2 H 1 1.959 0.005 . . . . . . A 61 LEU HB2 . 34448 1 602 . 1 . 1 61 61 LEU HB3 H 1 1.470 0.004 . . . . . . A 61 LEU HB3 . 34448 1 603 . 1 . 1 61 61 LEU HG H 1 1.792 0.002 . . . . . . A 61 LEU HG . 34448 1 604 . 1 . 1 61 61 LEU HD11 H 1 0.940 0.003 . . . . . . A 61 LEU HD11 . 34448 1 605 . 1 . 1 61 61 LEU HD12 H 1 0.940 0.003 . . . . . . A 61 LEU HD12 . 34448 1 606 . 1 . 1 61 61 LEU HD13 H 1 0.940 0.003 . . . . . . A 61 LEU HD13 . 34448 1 607 . 1 . 1 61 61 LEU HD21 H 1 0.967 0.002 . . . . . . A 61 LEU HD21 . 34448 1 608 . 1 . 1 61 61 LEU HD22 H 1 0.967 0.002 . . . . . . A 61 LEU HD22 . 34448 1 609 . 1 . 1 61 61 LEU HD23 H 1 0.967 0.002 . . . . . . A 61 LEU HD23 . 34448 1 610 . 1 . 1 61 61 LEU C C 13 178.861 0.000 . . . . . . A 61 LEU C . 34448 1 611 . 1 . 1 61 61 LEU CA C 13 58.141 0.030 . . . . . . A 61 LEU CA . 34448 1 612 . 1 . 1 61 61 LEU CB C 13 42.296 0.088 . . . . . . A 61 LEU CB . 34448 1 613 . 1 . 1 61 61 LEU CG C 13 27.573 0.040 . . . . . . A 61 LEU CG . 34448 1 614 . 1 . 1 61 61 LEU CD1 C 13 25.034 0.052 . . . . . . A 61 LEU CD1 . 34448 1 615 . 1 . 1 61 61 LEU CD2 C 13 25.630 0.031 . . . . . . A 61 LEU CD2 . 34448 1 616 . 1 . 1 61 61 LEU N N 15 117.087 0.033 . . . . . . A 61 LEU N . 34448 1 617 . 1 . 1 62 62 SER H H 1 7.938 0.003 . . . . . . A 62 SER H . 34448 1 618 . 1 . 1 62 62 SER HA H 1 4.108 0.002 . . . . . . A 62 SER HA . 34448 1 619 . 1 . 1 62 62 SER HB2 H 1 4.018 0.005 . . . . . . A 62 SER HB2 . 34448 1 620 . 1 . 1 62 62 SER HB3 H 1 4.018 0.005 . . . . . . A 62 SER HB3 . 34448 1 621 . 1 . 1 62 62 SER C C 13 177.850 0.000 . . . . . . A 62 SER C . 34448 1 622 . 1 . 1 62 62 SER CA C 13 61.724 0.141 . . . . . . A 62 SER CA . 34448 1 623 . 1 . 1 62 62 SER CB C 13 62.899 0.087 . . . . . . A 62 SER CB . 34448 1 624 . 1 . 1 62 62 SER N N 15 114.102 0.016 . . . . . . A 62 SER N . 34448 1 625 . 1 . 1 63 63 ARG H H 1 7.570 0.003 . . . . . . A 63 ARG H . 34448 1 626 . 1 . 1 63 63 ARG HA H 1 3.997 0.008 . . . . . . A 63 ARG HA . 34448 1 627 . 1 . 1 63 63 ARG HB2 H 1 1.920 0.007 . . . . . . A 63 ARG HB2 . 34448 1 628 . 1 . 1 63 63 ARG HB3 H 1 1.808 0.006 . . . . . . A 63 ARG HB3 . 34448 1 629 . 1 . 1 63 63 ARG HG2 H 1 1.647 0.006 . . . . . . A 63 ARG HG2 . 34448 1 630 . 1 . 1 63 63 ARG HG3 H 1 1.857 0.000 . . . . . . A 63 ARG HG3 . 34448 1 631 . 1 . 1 63 63 ARG HD2 H 1 3.233 0.005 . . . . . . A 63 ARG HD2 . 34448 1 632 . 1 . 1 63 63 ARG HD3 H 1 2.946 0.001 . . . . . . A 63 ARG HD3 . 34448 1 633 . 1 . 1 63 63 ARG HE H 1 7.344 0.000 . . . . . . A 63 ARG HE . 34448 1 634 . 1 . 1 63 63 ARG C C 13 180.478 0.003 . . . . . . A 63 ARG C . 34448 1 635 . 1 . 1 63 63 ARG CA C 13 59.174 0.080 . . . . . . A 63 ARG CA . 34448 1 636 . 1 . 1 63 63 ARG CB C 13 31.622 0.054 . . . . . . A 63 ARG CB . 34448 1 637 . 1 . 1 63 63 ARG CG C 13 26.953 0.069 . . . . . . A 63 ARG CG . 34448 1 638 . 1 . 1 63 63 ARG CD C 13 44.273 0.079 . . . . . . A 63 ARG CD . 34448 1 639 . 1 . 1 63 63 ARG N N 15 120.783 0.014 . . . . . . A 63 ARG N . 34448 1 640 . 1 . 1 63 63 ARG NE N 15 85.030 0.000 . . . . . . A 63 ARG NE . 34448 1 641 . 1 . 1 64 64 LEU H H 1 8.676 0.003 . . . . . . A 64 LEU H . 34448 1 642 . 1 . 1 64 64 LEU HA H 1 3.805 0.004 . . . . . . A 64 LEU HA . 34448 1 643 . 1 . 1 64 64 LEU HB2 H 1 2.145 0.015 . . . . . . A 64 LEU HB2 . 34448 1 644 . 1 . 1 64 64 LEU HB3 H 1 1.201 0.003 . . . . . . A 64 LEU HB3 . 34448 1 645 . 1 . 1 64 64 LEU HG H 1 1.820 0.008 . . . . . . A 64 LEU HG . 34448 1 646 . 1 . 1 64 64 LEU HD11 H 1 0.575 0.005 . . . . . . A 64 LEU HD11 . 34448 1 647 . 1 . 1 64 64 LEU HD12 H 1 0.575 0.005 . . . . . . A 64 LEU HD12 . 34448 1 648 . 1 . 1 64 64 LEU HD13 H 1 0.575 0.005 . . . . . . A 64 LEU HD13 . 34448 1 649 . 1 . 1 64 64 LEU HD21 H 1 0.925 0.008 . . . . . . A 64 LEU HD21 . 34448 1 650 . 1 . 1 64 64 LEU HD22 H 1 0.925 0.008 . . . . . . A 64 LEU HD22 . 34448 1 651 . 1 . 1 64 64 LEU HD23 H 1 0.925 0.008 . . . . . . A 64 LEU HD23 . 34448 1 652 . 1 . 1 64 64 LEU C C 13 179.130 0.007 . . . . . . A 64 LEU C . 34448 1 653 . 1 . 1 64 64 LEU CA C 13 57.946 0.064 . . . . . . A 64 LEU CA . 34448 1 654 . 1 . 1 64 64 LEU CB C 13 42.178 0.134 . . . . . . A 64 LEU CB . 34448 1 655 . 1 . 1 64 64 LEU CG C 13 25.782 0.125 . . . . . . A 64 LEU CG . 34448 1 656 . 1 . 1 64 64 LEU CD1 C 13 24.050 0.049 . . . . . . A 64 LEU CD1 . 34448 1 657 . 1 . 1 64 64 LEU CD2 C 13 27.428 0.067 . . . . . . A 64 LEU CD2 . 34448 1 658 . 1 . 1 64 64 LEU N N 15 120.900 0.003 . . . . . . A 64 LEU N . 34448 1 659 . 1 . 1 65 65 SER H H 1 8.025 0.002 . . . . . . A 65 SER H . 34448 1 660 . 1 . 1 65 65 SER HA H 1 4.358 0.018 . . . . . . A 65 SER HA . 34448 1 661 . 1 . 1 65 65 SER HB2 H 1 4.083 0.002 . . . . . . A 65 SER HB2 . 34448 1 662 . 1 . 1 65 65 SER HB3 H 1 3.979 0.001 . . . . . . A 65 SER HB3 . 34448 1 663 . 1 . 1 65 65 SER C C 13 175.924 0.000 . . . . . . A 65 SER C . 34448 1 664 . 1 . 1 65 65 SER CA C 13 61.166 0.126 . . . . . . A 65 SER CA . 34448 1 665 . 1 . 1 65 65 SER CB C 13 63.528 0.034 . . . . . . A 65 SER CB . 34448 1 666 . 1 . 1 65 65 SER N N 15 110.678 0.010 . . . . . . A 65 SER N . 34448 1 667 . 1 . 1 66 66 ARG H H 1 7.121 0.002 . . . . . . A 66 ARG H . 34448 1 668 . 1 . 1 66 66 ARG HA H 1 4.395 0.004 . . . . . . A 66 ARG HA . 34448 1 669 . 1 . 1 66 66 ARG HB2 H 1 1.693 0.012 . . . . . . A 66 ARG HB2 . 34448 1 670 . 1 . 1 66 66 ARG HB3 H 1 2.125 0.003 . . . . . . A 66 ARG HB3 . 34448 1 671 . 1 . 1 66 66 ARG HG2 H 1 1.835 0.008 . . . . . . A 66 ARG HG2 . 34448 1 672 . 1 . 1 66 66 ARG HG3 H 1 1.655 0.014 . . . . . . A 66 ARG HG3 . 34448 1 673 . 1 . 1 66 66 ARG HD2 H 1 3.252 0.003 . . . . . . A 66 ARG HD2 . 34448 1 674 . 1 . 1 66 66 ARG HD3 H 1 3.205 0.000 . . . . . . A 66 ARG HD3 . 34448 1 675 . 1 . 1 66 66 ARG HE H 1 7.213 0.002 . . . . . . A 66 ARG HE . 34448 1 676 . 1 . 1 66 66 ARG C C 13 176.662 0.010 . . . . . . A 66 ARG C . 34448 1 677 . 1 . 1 66 66 ARG CA C 13 55.991 0.088 . . . . . . A 66 ARG CA . 34448 1 678 . 1 . 1 66 66 ARG CB C 13 30.881 0.106 . . . . . . A 66 ARG CB . 34448 1 679 . 1 . 1 66 66 ARG CG C 13 27.694 0.114 . . . . . . A 66 ARG CG . 34448 1 680 . 1 . 1 66 66 ARG CD C 13 43.524 0.062 . . . . . . A 66 ARG CD . 34448 1 681 . 1 . 1 66 66 ARG N N 15 119.628 0.006 . . . . . . A 66 ARG N . 34448 1 682 . 1 . 1 66 66 ARG NE N 15 84.849 0.018 . . . . . . A 66 ARG NE . 34448 1 683 . 1 . 1 67 67 LEU H H 1 7.498 0.004 . . . . . . A 67 LEU H . 34448 1 684 . 1 . 1 67 67 LEU HA H 1 4.488 0.005 . . . . . . A 67 LEU HA . 34448 1 685 . 1 . 1 67 67 LEU HB2 H 1 1.502 0.001 . . . . . . A 67 LEU HB2 . 34448 1 686 . 1 . 1 67 67 LEU HB3 H 1 2.022 0.013 . . . . . . A 67 LEU HB3 . 34448 1 687 . 1 . 1 67 67 LEU HG H 1 2.090 0.003 . . . . . . A 67 LEU HG . 34448 1 688 . 1 . 1 67 67 LEU HD11 H 1 0.739 0.008 . . . . . . A 67 LEU HD11 . 34448 1 689 . 1 . 1 67 67 LEU HD12 H 1 0.739 0.008 . . . . . . A 67 LEU HD12 . 34448 1 690 . 1 . 1 67 67 LEU HD13 H 1 0.739 0.008 . . . . . . A 67 LEU HD13 . 34448 1 691 . 1 . 1 67 67 LEU HD21 H 1 0.734 0.002 . . . . . . A 67 LEU HD21 . 34448 1 692 . 1 . 1 67 67 LEU HD22 H 1 0.734 0.002 . . . . . . A 67 LEU HD22 . 34448 1 693 . 1 . 1 67 67 LEU HD23 H 1 0.734 0.002 . . . . . . A 67 LEU HD23 . 34448 1 694 . 1 . 1 67 67 LEU C C 13 176.986 0.006 . . . . . . A 67 LEU C . 34448 1 695 . 1 . 1 67 67 LEU CA C 13 54.230 0.071 . . . . . . A 67 LEU CA . 34448 1 696 . 1 . 1 67 67 LEU CB C 13 42.207 0.077 . . . . . . A 67 LEU CB . 34448 1 697 . 1 . 1 67 67 LEU CG C 13 26.146 0.088 . . . . . . A 67 LEU CG . 34448 1 698 . 1 . 1 67 67 LEU CD1 C 13 22.579 0.058 . . . . . . A 67 LEU CD1 . 34448 1 699 . 1 . 1 67 67 LEU CD2 C 13 26.372 0.094 . . . . . . A 67 LEU CD2 . 34448 1 700 . 1 . 1 67 67 LEU N N 15 120.173 0.003 . . . . . . A 67 LEU N . 34448 1 701 . 1 . 1 68 68 SER H H 1 9.213 0.002 . . . . . . A 68 SER H . 34448 1 702 . 1 . 1 68 68 SER HA H 1 4.537 0.005 . . . . . . A 68 SER HA . 34448 1 703 . 1 . 1 68 68 SER HB2 H 1 4.058 0.002 . . . . . . A 68 SER HB2 . 34448 1 704 . 1 . 1 68 68 SER HB3 H 1 4.491 0.011 . . . . . . A 68 SER HB3 . 34448 1 705 . 1 . 1 68 68 SER C C 13 175.379 0.003 . . . . . . A 68 SER C . 34448 1 706 . 1 . 1 68 68 SER CA C 13 56.588 0.124 . . . . . . A 68 SER CA . 34448 1 707 . 1 . 1 68 68 SER CB C 13 65.692 0.057 . . . . . . A 68 SER CB . 34448 1 708 . 1 . 1 68 68 SER N N 15 116.230 0.012 . . . . . . A 68 SER N . 34448 1 709 . 1 . 1 69 69 LYS H H 1 9.050 0.001 . . . . . . A 69 LYS H . 34448 1 710 . 1 . 1 69 69 LYS HA H 1 3.896 0.007 . . . . . . A 69 LYS HA . 34448 1 711 . 1 . 1 69 69 LYS HB2 H 1 1.781 0.015 . . . . . . A 69 LYS HB2 . 34448 1 712 . 1 . 1 69 69 LYS HB3 H 1 1.826 0.002 . . . . . . A 69 LYS HB3 . 34448 1 713 . 1 . 1 69 69 LYS HG2 H 1 1.195 0.004 . . . . . . A 69 LYS HG2 . 34448 1 714 . 1 . 1 69 69 LYS HG3 H 1 1.402 0.007 . . . . . . A 69 LYS HG3 . 34448 1 715 . 1 . 1 69 69 LYS HD2 H 1 1.664 0.002 . . . . . . A 69 LYS HD2 . 34448 1 716 . 1 . 1 69 69 LYS HD3 H 1 1.713 0.001 . . . . . . A 69 LYS HD3 . 34448 1 717 . 1 . 1 69 69 LYS HE2 H 1 3.014 0.009 . . . . . . A 69 LYS HE2 . 34448 1 718 . 1 . 1 69 69 LYS HE3 H 1 3.014 0.009 . . . . . . A 69 LYS HE3 . 34448 1 719 . 1 . 1 69 69 LYS C C 13 178.050 0.018 . . . . . . A 69 LYS C . 34448 1 720 . 1 . 1 69 69 LYS CA C 13 61.756 0.156 . . . . . . A 69 LYS CA . 34448 1 721 . 1 . 1 69 69 LYS CB C 13 31.708 0.103 . . . . . . A 69 LYS CB . 34448 1 722 . 1 . 1 69 69 LYS CG C 13 26.345 0.067 . . . . . . A 69 LYS CG . 34448 1 723 . 1 . 1 69 69 LYS CD C 13 30.063 0.111 . . . . . . A 69 LYS CD . 34448 1 724 . 1 . 1 69 69 LYS CE C 13 42.470 0.061 . . . . . . A 69 LYS CE . 34448 1 725 . 1 . 1 69 69 LYS N N 15 121.056 0.004 . . . . . . A 69 LYS N . 34448 1 726 . 1 . 1 70 70 ASN H H 1 8.578 0.003 . . . . . . A 70 ASN H . 34448 1 727 . 1 . 1 70 70 ASN HA H 1 4.512 0.007 . . . . . . A 70 ASN HA . 34448 1 728 . 1 . 1 70 70 ASN HB2 H 1 2.369 0.003 . . . . . . A 70 ASN HB2 . 34448 1 729 . 1 . 1 70 70 ASN HB3 H 1 2.662 0.007 . . . . . . A 70 ASN HB3 . 34448 1 730 . 1 . 1 70 70 ASN HD21 H 1 7.405 0.003 . . . . . . A 70 ASN HD21 . 34448 1 731 . 1 . 1 70 70 ASN HD22 H 1 6.761 0.001 . . . . . . A 70 ASN HD22 . 34448 1 732 . 1 . 1 70 70 ASN C C 13 177.932 0.021 . . . . . . A 70 ASN C . 34448 1 733 . 1 . 1 70 70 ASN CA C 13 56.236 0.085 . . . . . . A 70 ASN CA . 34448 1 734 . 1 . 1 70 70 ASN CB C 13 38.753 0.057 . . . . . . A 70 ASN CB . 34448 1 735 . 1 . 1 70 70 ASN N N 15 116.482 0.000 . . . . . . A 70 ASN N . 34448 1 736 . 1 . 1 70 70 ASN ND2 N 15 111.971 0.001 . . . . . . A 70 ASN ND2 . 34448 1 737 . 1 . 1 71 71 GLN H H 1 7.936 0.004 . . . . . . A 71 GLN H . 34448 1 738 . 1 . 1 71 71 GLN HA H 1 3.755 0.004 . . . . . . A 71 GLN HA . 34448 1 739 . 1 . 1 71 71 GLN HB2 H 1 1.763 0.004 . . . . . . A 71 GLN HB2 . 34448 1 740 . 1 . 1 71 71 GLN HB3 H 1 2.630 0.014 . . . . . . A 71 GLN HB3 . 34448 1 741 . 1 . 1 71 71 GLN HG2 H 1 2.195 0.007 . . . . . . A 71 GLN HG2 . 34448 1 742 . 1 . 1 71 71 GLN HG3 H 1 2.481 0.003 . . . . . . A 71 GLN HG3 . 34448 1 743 . 1 . 1 71 71 GLN HE21 H 1 7.593 0.004 . . . . . . A 71 GLN HE21 . 34448 1 744 . 1 . 1 71 71 GLN HE22 H 1 7.318 0.002 . . . . . . A 71 GLN HE22 . 34448 1 745 . 1 . 1 71 71 GLN C C 13 177.934 0.003 . . . . . . A 71 GLN C . 34448 1 746 . 1 . 1 71 71 GLN CA C 13 59.694 0.062 . . . . . . A 71 GLN CA . 34448 1 747 . 1 . 1 71 71 GLN CB C 13 30.780 0.066 . . . . . . A 71 GLN CB . 34448 1 748 . 1 . 1 71 71 GLN CG C 13 36.691 0.060 . . . . . . A 71 GLN CG . 34448 1 749 . 1 . 1 71 71 GLN N N 15 118.295 0.008 . . . . . . A 71 GLN N . 34448 1 750 . 1 . 1 71 71 GLN NE2 N 15 115.053 0.004 . . . . . . A 71 GLN NE2 . 34448 1 751 . 1 . 1 72 72 LEU H H 1 8.689 0.012 . . . . . . A 72 LEU H . 34448 1 752 . 1 . 1 72 72 LEU HA H 1 3.917 0.009 . . . . . . A 72 LEU HA . 34448 1 753 . 1 . 1 72 72 LEU HB2 H 1 1.371 0.009 . . . . . . A 72 LEU HB2 . 34448 1 754 . 1 . 1 72 72 LEU HB3 H 1 2.074 0.008 . . . . . . A 72 LEU HB3 . 34448 1 755 . 1 . 1 72 72 LEU HG H 1 1.755 0.000 . . . . . . A 72 LEU HG . 34448 1 756 . 1 . 1 72 72 LEU HD11 H 1 0.868 0.011 . . . . . . A 72 LEU HD11 . 34448 1 757 . 1 . 1 72 72 LEU HD12 H 1 0.868 0.011 . . . . . . A 72 LEU HD12 . 34448 1 758 . 1 . 1 72 72 LEU HD13 H 1 0.868 0.011 . . . . . . A 72 LEU HD13 . 34448 1 759 . 1 . 1 72 72 LEU HD21 H 1 0.856 0.004 . . . . . . A 72 LEU HD21 . 34448 1 760 . 1 . 1 72 72 LEU HD22 H 1 0.856 0.004 . . . . . . A 72 LEU HD22 . 34448 1 761 . 1 . 1 72 72 LEU HD23 H 1 0.856 0.004 . . . . . . A 72 LEU HD23 . 34448 1 762 . 1 . 1 72 72 LEU C C 13 179.406 0.006 . . . . . . A 72 LEU C . 34448 1 763 . 1 . 1 72 72 LEU CA C 13 58.364 0.108 . . . . . . A 72 LEU CA . 34448 1 764 . 1 . 1 72 72 LEU CB C 13 43.537 0.102 . . . . . . A 72 LEU CB . 34448 1 765 . 1 . 1 72 72 LEU CD1 C 13 25.038 0.073 . . . . . . A 72 LEU CD1 . 34448 1 766 . 1 . 1 72 72 LEU CD2 C 13 26.579 0.086 . . . . . . A 72 LEU CD2 . 34448 1 767 . 1 . 1 72 72 LEU N N 15 119.869 0.042 . . . . . . A 72 LEU N . 34448 1 768 . 1 . 1 73 73 MET H H 1 8.653 0.001 . . . . . . A 73 MET H . 34448 1 769 . 1 . 1 73 73 MET HA H 1 3.928 0.004 . . . . . . A 73 MET HA . 34448 1 770 . 1 . 1 73 73 MET HB2 H 1 1.805 0.004 . . . . . . A 73 MET HB2 . 34448 1 771 . 1 . 1 73 73 MET HB3 H 1 2.484 0.008 . . . . . . A 73 MET HB3 . 34448 1 772 . 1 . 1 73 73 MET HG2 H 1 2.903 0.002 . . . . . . A 73 MET HG2 . 34448 1 773 . 1 . 1 73 73 MET HG3 H 1 2.092 0.003 . . . . . . A 73 MET HG3 . 34448 1 774 . 1 . 1 73 73 MET HE1 H 1 2.122 0.007 . . . . . . A 73 MET HE1 . 34448 1 775 . 1 . 1 73 73 MET HE2 H 1 2.122 0.007 . . . . . . A 73 MET HE2 . 34448 1 776 . 1 . 1 73 73 MET HE3 H 1 2.122 0.007 . . . . . . A 73 MET HE3 . 34448 1 777 . 1 . 1 73 73 MET C C 13 177.108 0.004 . . . . . . A 73 MET C . 34448 1 778 . 1 . 1 73 73 MET CA C 13 60.699 0.120 . . . . . . A 73 MET CA . 34448 1 779 . 1 . 1 73 73 MET CB C 13 34.653 0.058 . . . . . . A 73 MET CB . 34448 1 780 . 1 . 1 73 73 MET CG C 13 32.263 0.033 . . . . . . A 73 MET CG . 34448 1 781 . 1 . 1 73 73 MET CE C 13 16.483 0.000 . . . . . . A 73 MET CE . 34448 1 782 . 1 . 1 73 73 MET N N 15 118.903 0.001 . . . . . . A 73 MET N . 34448 1 783 . 1 . 1 74 74 ALA H H 1 7.920 0.003 . . . . . . A 74 ALA H . 34448 1 784 . 1 . 1 74 74 ALA HA H 1 3.906 0.002 . . . . . . A 74 ALA HA . 34448 1 785 . 1 . 1 74 74 ALA HB1 H 1 1.424 0.007 . . . . . . A 74 ALA HB1 . 34448 1 786 . 1 . 1 74 74 ALA HB2 H 1 1.424 0.007 . . . . . . A 74 ALA HB2 . 34448 1 787 . 1 . 1 74 74 ALA HB3 H 1 1.424 0.007 . . . . . . A 74 ALA HB3 . 34448 1 788 . 1 . 1 74 74 ALA C C 13 179.302 0.009 . . . . . . A 74 ALA C . 34448 1 789 . 1 . 1 74 74 ALA CA C 13 55.246 0.106 . . . . . . A 74 ALA CA . 34448 1 790 . 1 . 1 74 74 ALA CB C 13 18.561 0.061 . . . . . . A 74 ALA CB . 34448 1 791 . 1 . 1 74 74 ALA N N 15 119.392 0.001 . . . . . . A 74 ALA N . 34448 1 792 . 1 . 1 75 75 LEU H H 1 8.606 0.003 . . . . . . A 75 LEU H . 34448 1 793 . 1 . 1 75 75 LEU HA H 1 3.947 0.004 . . . . . . A 75 LEU HA . 34448 1 794 . 1 . 1 75 75 LEU HB2 H 1 1.572 0.008 . . . . . . A 75 LEU HB2 . 34448 1 795 . 1 . 1 75 75 LEU HB3 H 1 1.572 0.008 . . . . . . A 75 LEU HB3 . 34448 1 796 . 1 . 1 75 75 LEU HG H 1 1.463 0.011 . . . . . . A 75 LEU HG . 34448 1 797 . 1 . 1 75 75 LEU HD11 H 1 0.436 0.004 . . . . . . A 75 LEU HD11 . 34448 1 798 . 1 . 1 75 75 LEU HD12 H 1 0.436 0.004 . . . . . . A 75 LEU HD12 . 34448 1 799 . 1 . 1 75 75 LEU HD13 H 1 0.436 0.004 . . . . . . A 75 LEU HD13 . 34448 1 800 . 1 . 1 75 75 LEU HD21 H 1 0.641 0.004 . . . . . . A 75 LEU HD21 . 34448 1 801 . 1 . 1 75 75 LEU HD22 H 1 0.641 0.004 . . . . . . A 75 LEU HD22 . 34448 1 802 . 1 . 1 75 75 LEU HD23 H 1 0.641 0.004 . . . . . . A 75 LEU HD23 . 34448 1 803 . 1 . 1 75 75 LEU C C 13 177.476 0.032 . . . . . . A 75 LEU C . 34448 1 804 . 1 . 1 75 75 LEU CA C 13 57.995 0.085 . . . . . . A 75 LEU CA . 34448 1 805 . 1 . 1 75 75 LEU CB C 13 42.158 0.116 . . . . . . A 75 LEU CB . 34448 1 806 . 1 . 1 75 75 LEU CG C 13 27.265 0.072 . . . . . . A 75 LEU CG . 34448 1 807 . 1 . 1 75 75 LEU CD1 C 13 25.265 0.043 . . . . . . A 75 LEU CD1 . 34448 1 808 . 1 . 1 75 75 LEU CD2 C 13 24.826 0.002 . . . . . . A 75 LEU CD2 . 34448 1 809 . 1 . 1 75 75 LEU N N 15 119.692 0.097 . . . . . . A 75 LEU N . 34448 1 810 . 1 . 1 76 76 ALA H H 1 8.292 0.005 . . . . . . A 76 ALA H . 34448 1 811 . 1 . 1 76 76 ALA HA H 1 3.959 0.007 . . . . . . A 76 ALA HA . 34448 1 812 . 1 . 1 76 76 ALA HB1 H 1 1.576 0.003 . . . . . . A 76 ALA HB1 . 34448 1 813 . 1 . 1 76 76 ALA HB2 H 1 1.576 0.003 . . . . . . A 76 ALA HB2 . 34448 1 814 . 1 . 1 76 76 ALA HB3 H 1 1.576 0.003 . . . . . . A 76 ALA HB3 . 34448 1 815 . 1 . 1 76 76 ALA C C 13 179.055 0.009 . . . . . . A 76 ALA C . 34448 1 816 . 1 . 1 76 76 ALA CA C 13 55.945 0.082 . . . . . . A 76 ALA CA . 34448 1 817 . 1 . 1 76 76 ALA CB C 13 17.954 0.077 . . . . . . A 76 ALA CB . 34448 1 818 . 1 . 1 76 76 ALA N N 15 120.747 0.000 . . . . . . A 76 ALA N . 34448 1 819 . 1 . 1 77 77 LEU H H 1 8.070 0.002 . . . . . . A 77 LEU H . 34448 1 820 . 1 . 1 77 77 LEU HA H 1 4.115 0.005 . . . . . . A 77 LEU HA . 34448 1 821 . 1 . 1 77 77 LEU HB2 H 1 1.894 0.002 . . . . . . A 77 LEU HB2 . 34448 1 822 . 1 . 1 77 77 LEU HB3 H 1 1.676 0.011 . . . . . . A 77 LEU HB3 . 34448 1 823 . 1 . 1 77 77 LEU HG H 1 1.723 0.001 . . . . . . A 77 LEU HG . 34448 1 824 . 1 . 1 77 77 LEU HD11 H 1 0.892 0.001 . . . . . . A 77 LEU HD11 . 34448 1 825 . 1 . 1 77 77 LEU HD12 H 1 0.892 0.001 . . . . . . A 77 LEU HD12 . 34448 1 826 . 1 . 1 77 77 LEU HD13 H 1 0.892 0.001 . . . . . . A 77 LEU HD13 . 34448 1 827 . 1 . 1 77 77 LEU HD21 H 1 0.889 0.002 . . . . . . A 77 LEU HD21 . 34448 1 828 . 1 . 1 77 77 LEU HD22 H 1 0.889 0.002 . . . . . . A 77 LEU HD22 . 34448 1 829 . 1 . 1 77 77 LEU HD23 H 1 0.889 0.002 . . . . . . A 77 LEU HD23 . 34448 1 830 . 1 . 1 77 77 LEU C C 13 178.455 0.017 . . . . . . A 77 LEU C . 34448 1 831 . 1 . 1 77 77 LEU CA C 13 58.631 0.085 . . . . . . A 77 LEU CA . 34448 1 832 . 1 . 1 77 77 LEU CB C 13 42.370 0.060 . . . . . . A 77 LEU CB . 34448 1 833 . 1 . 1 77 77 LEU CG C 13 26.648 0.161 . . . . . . A 77 LEU CG . 34448 1 834 . 1 . 1 77 77 LEU CD1 C 13 25.553 0.035 . . . . . . A 77 LEU CD1 . 34448 1 835 . 1 . 1 77 77 LEU CD2 C 13 24.747 0.074 . . . . . . A 77 LEU CD2 . 34448 1 836 . 1 . 1 77 77 LEU N N 15 116.297 0.008 . . . . . . A 77 LEU N . 34448 1 837 . 1 . 1 78 78 LYS H H 1 8.177 0.003 . . . . . . A 78 LYS H . 34448 1 838 . 1 . 1 78 78 LYS HA H 1 4.126 0.009 . . . . . . A 78 LYS HA . 34448 1 839 . 1 . 1 78 78 LYS HB2 H 1 1.981 0.005 . . . . . . A 78 LYS HB2 . 34448 1 840 . 1 . 1 78 78 LYS HB3 H 1 2.081 0.003 . . . . . . A 78 LYS HB3 . 34448 1 841 . 1 . 1 78 78 LYS HG2 H 1 1.538 0.013 . . . . . . A 78 LYS HG2 . 34448 1 842 . 1 . 1 78 78 LYS HG3 H 1 1.440 0.008 . . . . . . A 78 LYS HG3 . 34448 1 843 . 1 . 1 78 78 LYS HD2 H 1 1.695 0.001 . . . . . . A 78 LYS HD2 . 34448 1 844 . 1 . 1 78 78 LYS HD3 H 1 1.654 0.004 . . . . . . A 78 LYS HD3 . 34448 1 845 . 1 . 1 78 78 LYS HE2 H 1 2.911 0.007 . . . . . . A 78 LYS HE2 . 34448 1 846 . 1 . 1 78 78 LYS HE3 H 1 2.911 0.007 . . . . . . A 78 LYS HE3 . 34448 1 847 . 1 . 1 78 78 LYS C C 13 179.686 0.025 . . . . . . A 78 LYS C . 34448 1 848 . 1 . 1 78 78 LYS CA C 13 59.259 0.072 . . . . . . A 78 LYS CA . 34448 1 849 . 1 . 1 78 78 LYS CB C 13 32.249 0.078 . . . . . . A 78 LYS CB . 34448 1 850 . 1 . 1 78 78 LYS CG C 13 24.815 0.027 . . . . . . A 78 LYS CG . 34448 1 851 . 1 . 1 78 78 LYS CD C 13 29.235 0.040 . . . . . . A 78 LYS CD . 34448 1 852 . 1 . 1 78 78 LYS CE C 13 41.871 0.052 . . . . . . A 78 LYS CE . 34448 1 853 . 1 . 1 78 78 LYS N N 15 119.294 0.002 . . . . . . A 78 LYS N . 34448 1 854 . 1 . 1 79 79 LEU H H 1 8.706 0.004 . . . . . . A 79 LEU H . 34448 1 855 . 1 . 1 79 79 LEU HA H 1 4.058 0.009 . . . . . . A 79 LEU HA . 34448 1 856 . 1 . 1 79 79 LEU HB2 H 1 1.262 0.003 . . . . . . A 79 LEU HB2 . 34448 1 857 . 1 . 1 79 79 LEU HB3 H 1 2.076 0.011 . . . . . . A 79 LEU HB3 . 34448 1 858 . 1 . 1 79 79 LEU HG H 1 1.813 0.016 . . . . . . A 79 LEU HG . 34448 1 859 . 1 . 1 79 79 LEU HD11 H 1 0.794 0.002 . . . . . . A 79 LEU HD11 . 34448 1 860 . 1 . 1 79 79 LEU HD12 H 1 0.794 0.002 . . . . . . A 79 LEU HD12 . 34448 1 861 . 1 . 1 79 79 LEU HD13 H 1 0.794 0.002 . . . . . . A 79 LEU HD13 . 34448 1 862 . 1 . 1 79 79 LEU HD21 H 1 1.023 0.004 . . . . . . A 79 LEU HD21 . 34448 1 863 . 1 . 1 79 79 LEU HD22 H 1 1.023 0.004 . . . . . . A 79 LEU HD22 . 34448 1 864 . 1 . 1 79 79 LEU HD23 H 1 1.023 0.004 . . . . . . A 79 LEU HD23 . 34448 1 865 . 1 . 1 79 79 LEU C C 13 180.030 0.019 . . . . . . A 79 LEU C . 34448 1 866 . 1 . 1 79 79 LEU CA C 13 57.980 0.103 . . . . . . A 79 LEU CA . 34448 1 867 . 1 . 1 79 79 LEU CB C 13 43.550 0.101 . . . . . . A 79 LEU CB . 34448 1 868 . 1 . 1 79 79 LEU CG C 13 27.626 0.044 . . . . . . A 79 LEU CG . 34448 1 869 . 1 . 1 79 79 LEU CD1 C 13 23.456 0.057 . . . . . . A 79 LEU CD1 . 34448 1 870 . 1 . 1 79 79 LEU CD2 C 13 27.060 0.075 . . . . . . A 79 LEU CD2 . 34448 1 871 . 1 . 1 79 79 LEU N N 15 118.605 0.004 . . . . . . A 79 LEU N . 34448 1 872 . 1 . 1 80 80 LYS H H 1 8.722 0.002 . . . . . . A 80 LYS H . 34448 1 873 . 1 . 1 80 80 LYS HA H 1 4.059 0.011 . . . . . . A 80 LYS HA . 34448 1 874 . 1 . 1 80 80 LYS C C 13 178.093 0.013 . . . . . . A 80 LYS C . 34448 1 875 . 1 . 1 80 80 LYS CA C 13 57.731 0.134 . . . . . . A 80 LYS CA . 34448 1 876 . 1 . 1 80 80 LYS CB C 13 30.562 0.003 . . . . . . A 80 LYS CB . 34448 1 877 . 1 . 1 80 80 LYS CE C 13 43.518 0.000 . . . . . . A 80 LYS CE . 34448 1 878 . 1 . 1 80 80 LYS N N 15 121.631 0.005 . . . . . . A 80 LYS N . 34448 1 879 . 1 . 1 81 81 GLN H H 1 8.848 0.002 . . . . . . A 81 GLN H . 34448 1 880 . 1 . 1 81 81 GLN HA H 1 3.900 0.005 . . . . . . A 81 GLN HA . 34448 1 881 . 1 . 1 81 81 GLN HB2 H 1 2.469 0.002 . . . . . . A 81 GLN HB2 . 34448 1 882 . 1 . 1 81 81 GLN HB3 H 1 2.262 0.004 . . . . . . A 81 GLN HB3 . 34448 1 883 . 1 . 1 81 81 GLN HG2 H 1 2.479 0.002 . . . . . . A 81 GLN HG2 . 34448 1 884 . 1 . 1 81 81 GLN HG3 H 1 2.610 0.003 . . . . . . A 81 GLN HG3 . 34448 1 885 . 1 . 1 81 81 GLN HE21 H 1 7.620 0.002 . . . . . . A 81 GLN HE21 . 34448 1 886 . 1 . 1 81 81 GLN HE22 H 1 6.857 0.001 . . . . . . A 81 GLN HE22 . 34448 1 887 . 1 . 1 81 81 GLN C C 13 178.508 0.019 . . . . . . A 81 GLN C . 34448 1 888 . 1 . 1 81 81 GLN CA C 13 59.652 0.053 . . . . . . A 81 GLN CA . 34448 1 889 . 1 . 1 81 81 GLN CB C 13 28.478 0.079 . . . . . . A 81 GLN CB . 34448 1 890 . 1 . 1 81 81 GLN CG C 13 34.360 0.067 . . . . . . A 81 GLN CG . 34448 1 891 . 1 . 1 81 81 GLN N N 15 118.782 0.007 . . . . . . A 81 GLN N . 34448 1 892 . 1 . 1 81 81 GLN NE2 N 15 111.161 0.009 . . . . . . A 81 GLN NE2 . 34448 1 893 . 1 . 1 82 82 GLN H H 1 7.935 0.002 . . . . . . A 82 GLN H . 34448 1 894 . 1 . 1 82 82 GLN HA H 1 4.097 0.006 . . . . . . A 82 GLN HA . 34448 1 895 . 1 . 1 82 82 GLN HB2 H 1 2.153 0.014 . . . . . . A 82 GLN HB2 . 34448 1 896 . 1 . 1 82 82 GLN HB3 H 1 2.217 0.022 . . . . . . A 82 GLN HB3 . 34448 1 897 . 1 . 1 82 82 GLN HG2 H 1 2.436 0.003 . . . . . . A 82 GLN HG2 . 34448 1 898 . 1 . 1 82 82 GLN HG3 H 1 2.617 0.003 . . . . . . A 82 GLN HG3 . 34448 1 899 . 1 . 1 82 82 GLN HE21 H 1 7.213 0.032 . . . . . . A 82 GLN HE21 . 34448 1 900 . 1 . 1 82 82 GLN HE22 H 1 7.329 0.028 . . . . . . A 82 GLN HE22 . 34448 1 901 . 1 . 1 82 82 GLN C C 13 178.243 0.015 . . . . . . A 82 GLN C . 34448 1 902 . 1 . 1 82 82 GLN CA C 13 58.669 0.147 . . . . . . A 82 GLN CA . 34448 1 903 . 1 . 1 82 82 GLN CB C 13 28.578 0.101 . . . . . . A 82 GLN CB . 34448 1 904 . 1 . 1 82 82 GLN CG C 13 34.447 0.066 . . . . . . A 82 GLN CG . 34448 1 905 . 1 . 1 82 82 GLN N N 15 117.095 0.000 . . . . . . A 82 GLN N . 34448 1 906 . 1 . 1 82 82 GLN NE2 N 15 110.523 0.008 . . . . . . A 82 GLN NE2 . 34448 1 907 . 1 . 1 83 83 GLN H H 1 7.624 0.002 . . . . . . A 83 GLN H . 34448 1 908 . 1 . 1 83 83 GLN HA H 1 4.060 0.003 . . . . . . A 83 GLN HA . 34448 1 909 . 1 . 1 83 83 GLN HB2 H 1 2.162 0.007 . . . . . . A 83 GLN HB2 . 34448 1 910 . 1 . 1 83 83 GLN HB3 H 1 2.267 0.007 . . . . . . A 83 GLN HB3 . 34448 1 911 . 1 . 1 83 83 GLN HG2 H 1 2.183 0.006 . . . . . . A 83 GLN HG2 . 34448 1 912 . 1 . 1 83 83 GLN HG3 H 1 2.538 0.083 . . . . . . A 83 GLN HG3 . 34448 1 913 . 1 . 1 83 83 GLN HE21 H 1 7.679 0.002 . . . . . . A 83 GLN HE21 . 34448 1 914 . 1 . 1 83 83 GLN HE22 H 1 7.005 0.001 . . . . . . A 83 GLN HE22 . 34448 1 915 . 1 . 1 83 83 GLN C C 13 178.380 0.019 . . . . . . A 83 GLN C . 34448 1 916 . 1 . 1 83 83 GLN CA C 13 58.345 0.093 . . . . . . A 83 GLN CA . 34448 1 917 . 1 . 1 83 83 GLN CB C 13 29.155 0.084 . . . . . . A 83 GLN CB . 34448 1 918 . 1 . 1 83 83 GLN CG C 13 33.926 0.072 . . . . . . A 83 GLN CG . 34448 1 919 . 1 . 1 83 83 GLN N N 15 118.825 0.002 . . . . . . A 83 GLN N . 34448 1 920 . 1 . 1 83 83 GLN NE2 N 15 111.633 0.004 . . . . . . A 83 GLN NE2 . 34448 1 921 . 1 . 1 84 84 LEU H H 1 7.733 0.006 . . . . . . A 84 LEU H . 34448 1 922 . 1 . 1 84 84 LEU HA H 1 4.078 0.005 . . . . . . A 84 LEU HA . 34448 1 923 . 1 . 1 84 84 LEU HB2 H 1 1.636 0.004 . . . . . . A 84 LEU HB2 . 34448 1 924 . 1 . 1 84 84 LEU HB3 H 1 1.387 0.007 . . . . . . A 84 LEU HB3 . 34448 1 925 . 1 . 1 84 84 LEU HG H 1 1.464 0.004 . . . . . . A 84 LEU HG . 34448 1 926 . 1 . 1 84 84 LEU HD11 H 1 0.499 0.002 . . . . . . A 84 LEU HD11 . 34448 1 927 . 1 . 1 84 84 LEU HD12 H 1 0.499 0.002 . . . . . . A 84 LEU HD12 . 34448 1 928 . 1 . 1 84 84 LEU HD13 H 1 0.499 0.002 . . . . . . A 84 LEU HD13 . 34448 1 929 . 1 . 1 84 84 LEU HD21 H 1 0.045 0.004 . . . . . . A 84 LEU HD21 . 34448 1 930 . 1 . 1 84 84 LEU HD22 H 1 0.045 0.004 . . . . . . A 84 LEU HD22 . 34448 1 931 . 1 . 1 84 84 LEU HD23 H 1 0.045 0.004 . . . . . . A 84 LEU HD23 . 34448 1 932 . 1 . 1 84 84 LEU C C 13 178.508 0.032 . . . . . . A 84 LEU C . 34448 1 933 . 1 . 1 84 84 LEU CA C 13 56.212 0.032 . . . . . . A 84 LEU CA . 34448 1 934 . 1 . 1 84 84 LEU CB C 13 42.107 0.061 . . . . . . A 84 LEU CB . 34448 1 935 . 1 . 1 84 84 LEU CG C 13 26.459 0.136 . . . . . . A 84 LEU CG . 34448 1 936 . 1 . 1 84 84 LEU CD1 C 13 22.585 0.051 . . . . . . A 84 LEU CD1 . 34448 1 937 . 1 . 1 84 84 LEU CD2 C 13 24.790 0.064 . . . . . . A 84 LEU CD2 . 34448 1 938 . 1 . 1 84 84 LEU N N 15 118.382 0.005 . . . . . . A 84 LEU N . 34448 1 939 . 1 . 1 85 85 GLU H H 1 7.845 0.005 . . . . . . A 85 GLU H . 34448 1 940 . 1 . 1 85 85 GLU HA H 1 4.214 0.003 . . . . . . A 85 GLU HA . 34448 1 941 . 1 . 1 85 85 GLU HB2 H 1 2.111 0.000 . . . . . . A 85 GLU HB2 . 34448 1 942 . 1 . 1 85 85 GLU HB3 H 1 2.030 0.001 . . . . . . A 85 GLU HB3 . 34448 1 943 . 1 . 1 85 85 GLU HG2 H 1 2.437 0.001 . . . . . . A 85 GLU HG2 . 34448 1 944 . 1 . 1 85 85 GLU HG3 H 1 2.300 0.012 . . . . . . A 85 GLU HG3 . 34448 1 945 . 1 . 1 85 85 GLU C C 13 176.827 0.013 . . . . . . A 85 GLU C . 34448 1 946 . 1 . 1 85 85 GLU CA C 13 57.214 0.082 . . . . . . A 85 GLU CA . 34448 1 947 . 1 . 1 85 85 GLU CB C 13 29.864 0.048 . . . . . . A 85 GLU CB . 34448 1 948 . 1 . 1 85 85 GLU CG C 13 36.522 0.038 . . . . . . A 85 GLU CG . 34448 1 949 . 1 . 1 85 85 GLU N N 15 118.644 0.005 . . . . . . A 85 GLU N . 34448 1 950 . 1 . 1 86 86 GLN H H 1 7.875 0.002 . . . . . . A 86 GLN H . 34448 1 951 . 1 . 1 86 86 GLN HA H 1 4.328 0.006 . . . . . . A 86 GLN HA . 34448 1 952 . 1 . 1 86 86 GLN HB2 H 1 2.195 0.011 . . . . . . A 86 GLN HB2 . 34448 1 953 . 1 . 1 86 86 GLN HB3 H 1 2.058 0.004 . . . . . . A 86 GLN HB3 . 34448 1 954 . 1 . 1 86 86 GLN HG2 H 1 2.440 0.002 . . . . . . A 86 GLN HG2 . 34448 1 955 . 1 . 1 86 86 GLN HG3 H 1 2.440 0.002 . . . . . . A 86 GLN HG3 . 34448 1 956 . 1 . 1 86 86 GLN HE21 H 1 7.567 0.001 . . . . . . A 86 GLN HE21 . 34448 1 957 . 1 . 1 86 86 GLN HE22 H 1 6.855 0.001 . . . . . . A 86 GLN HE22 . 34448 1 958 . 1 . 1 86 86 GLN C C 13 175.773 0.005 . . . . . . A 86 GLN C . 34448 1 959 . 1 . 1 86 86 GLN CA C 13 56.213 0.088 . . . . . . A 86 GLN CA . 34448 1 960 . 1 . 1 86 86 GLN CB C 13 29.466 0.056 . . . . . . A 86 GLN CB . 34448 1 961 . 1 . 1 86 86 GLN CG C 13 33.972 0.086 . . . . . . A 86 GLN CG . 34448 1 962 . 1 . 1 86 86 GLN N N 15 119.465 0.006 . . . . . . A 86 GLN N . 34448 1 963 . 1 . 1 86 86 GLN NE2 N 15 112.437 0.006 . . . . . . A 86 GLN NE2 . 34448 1 964 . 1 . 1 87 87 GLY H H 1 7.924 0.002 . . . . . . A 87 GLY H . 34448 1 965 . 1 . 1 87 87 GLY HA2 H 1 3.761 0.000 . . . . . . A 87 GLY HA2 . 34448 1 966 . 1 . 1 87 87 GLY HA3 H 1 3.761 0.000 . . . . . . A 87 GLY HA3 . 34448 1 967 . 1 . 1 87 87 GLY C C 13 179.057 0.000 . . . . . . A 87 GLY C . 34448 1 968 . 1 . 1 87 87 GLY CA C 13 46.444 0.000 . . . . . . A 87 GLY CA . 34448 1 969 . 1 . 1 87 87 GLY N N 15 115.487 0.003 . . . . . . A 87 GLY N . 34448 1 970 . 2 . 1 1 1 GLY HA2 H 1 3.998 0.000 . . . . . . B 101 GLY HA2 . 34448 1 971 . 2 . 1 1 1 GLY HA3 H 1 3.998 0.000 . . . . . . B 101 GLY HA3 . 34448 1 972 . 2 . 1 2 2 PRO HA H 1 4.460 0.002 . . . . . . B 102 PRO HA . 34448 1 973 . 2 . 1 2 2 PRO HB2 H 1 2.307 0.003 . . . . . . B 102 PRO HB2 . 34448 1 974 . 2 . 1 2 2 PRO HB3 H 1 1.984 0.001 . . . . . . B 102 PRO HB3 . 34448 1 975 . 2 . 1 2 2 PRO HG2 H 1 2.029 0.002 . . . . . . B 102 PRO HG2 . 34448 1 976 . 2 . 1 2 2 PRO HG3 H 1 2.029 0.002 . . . . . . B 102 PRO HG3 . 34448 1 977 . 2 . 1 2 2 PRO HD2 H 1 3.574 0.003 . . . . . . B 102 PRO HD2 . 34448 1 978 . 2 . 1 2 2 PRO HD3 H 1 3.599 0.003 . . . . . . B 102 PRO HD3 . 34448 1 979 . 2 . 1 2 2 PRO C C 13 177.505 0.005 . . . . . . B 102 PRO C . 34448 1 980 . 2 . 1 2 2 PRO CA C 13 63.579 0.102 . . . . . . B 102 PRO CA . 34448 1 981 . 2 . 1 2 2 PRO CB C 13 32.174 0.045 . . . . . . B 102 PRO CB . 34448 1 982 . 2 . 1 2 2 PRO CG C 13 27.166 0.091 . . . . . . B 102 PRO CG . 34448 1 983 . 2 . 1 2 2 PRO CD C 13 49.676 0.024 . . . . . . B 102 PRO CD . 34448 1 984 . 2 . 1 3 3 GLY H H 1 8.637 0.002 . . . . . . B 103 GLY H . 34448 1 985 . 2 . 1 3 3 GLY HA2 H 1 3.950 0.005 . . . . . . B 103 GLY HA2 . 34448 1 986 . 2 . 1 3 3 GLY HA3 H 1 3.950 0.005 . . . . . . B 103 GLY HA3 . 34448 1 987 . 2 . 1 3 3 GLY C C 13 174.174 0.007 . . . . . . B 103 GLY C . 34448 1 988 . 2 . 1 3 3 GLY CA C 13 45.418 0.139 . . . . . . B 103 GLY CA . 34448 1 989 . 2 . 1 3 3 GLY N N 15 109.906 0.020 . . . . . . B 103 GLY N . 34448 1 990 . 2 . 1 4 4 SER H H 1 8.058 0.002 . . . . . . B 104 SER H . 34448 1 991 . 2 . 1 4 4 SER HA H 1 4.394 0.004 . . . . . . B 104 SER HA . 34448 1 992 . 2 . 1 4 4 SER HB2 H 1 3.765 0.002 . . . . . . B 104 SER HB2 . 34448 1 993 . 2 . 1 4 4 SER HB3 H 1 3.765 0.002 . . . . . . B 104 SER HB3 . 34448 1 994 . 2 . 1 4 4 SER C C 13 174.041 0.066 . . . . . . B 104 SER C . 34448 1 995 . 2 . 1 4 4 SER CA C 13 58.462 0.155 . . . . . . B 104 SER CA . 34448 1 996 . 2 . 1 4 4 SER CB C 13 63.851 0.068 . . . . . . B 104 SER CB . 34448 1 997 . 2 . 1 4 4 SER N N 15 115.369 0.010 . . . . . . B 104 SER N . 34448 1 998 . 2 . 1 5 5 TYR H H 1 8.208 0.002 . . . . . . B 105 TYR H . 34448 1 999 . 2 . 1 5 5 TYR HA H 1 4.566 0.006 . . . . . . B 105 TYR HA . 34448 1 1000 . 2 . 1 5 5 TYR HB2 H 1 3.028 0.002 . . . . . . B 105 TYR HB2 . 34448 1 1001 . 2 . 1 5 5 TYR HB3 H 1 2.924 0.003 . . . . . . B 105 TYR HB3 . 34448 1 1002 . 2 . 1 5 5 TYR HD1 H 1 7.092 0.003 . . . . . . B 105 TYR HD1 . 34448 1 1003 . 2 . 1 5 5 TYR HD2 H 1 7.092 0.003 . . . . . . B 105 TYR HD2 . 34448 1 1004 . 2 . 1 5 5 TYR HE1 H 1 6.792 0.002 . . . . . . B 105 TYR HE1 . 34448 1 1005 . 2 . 1 5 5 TYR HE2 H 1 6.792 0.002 . . . . . . B 105 TYR HE2 . 34448 1 1006 . 2 . 1 5 5 TYR C C 13 174.977 0.006 . . . . . . B 105 TYR C . 34448 1 1007 . 2 . 1 5 5 TYR CA C 13 57.703 0.148 . . . . . . B 105 TYR CA . 34448 1 1008 . 2 . 1 5 5 TYR CB C 13 38.773 0.021 . . . . . . B 105 TYR CB . 34448 1 1009 . 2 . 1 5 5 TYR CD1 C 13 133.307 0.021 . . . . . . B 105 TYR CD1 . 34448 1 1010 . 2 . 1 5 5 TYR CE1 C 13 118.155 0.005 . . . . . . B 105 TYR CE1 . 34448 1 1011 . 2 . 1 5 5 TYR N N 15 121.995 0.019 . . . . . . B 105 TYR N . 34448 1 1012 . 2 . 1 6 6 ALA H H 1 8.045 0.005 . . . . . . B 106 ALA H . 34448 1 1013 . 2 . 1 6 6 ALA HA H 1 4.535 0.009 . . . . . . B 106 ALA HA . 34448 1 1014 . 2 . 1 6 6 ALA HB1 H 1 1.286 0.001 . . . . . . B 106 ALA HB1 . 34448 1 1015 . 2 . 1 6 6 ALA HB2 H 1 1.286 0.001 . . . . . . B 106 ALA HB2 . 34448 1 1016 . 2 . 1 6 6 ALA HB3 H 1 1.286 0.001 . . . . . . B 106 ALA HB3 . 34448 1 1017 . 2 . 1 6 6 ALA C C 13 174.903 0.000 . . . . . . B 106 ALA C . 34448 1 1018 . 2 . 1 6 6 ALA CA C 13 50.505 0.119 . . . . . . B 106 ALA CA . 34448 1 1019 . 2 . 1 6 6 ALA CB C 13 18.503 0.011 . . . . . . B 106 ALA CB . 34448 1 1020 . 2 . 1 6 6 ALA N N 15 127.237 0.017 . . . . . . B 106 ALA N . 34448 1 1021 . 2 . 1 7 7 PRO HA H 1 4.364 0.003 . . . . . . B 107 PRO HA . 34448 1 1022 . 2 . 1 7 7 PRO HB2 H 1 2.300 0.002 . . . . . . B 107 PRO HB2 . 34448 1 1023 . 2 . 1 7 7 PRO HB3 H 1 1.892 0.006 . . . . . . B 107 PRO HB3 . 34448 1 1024 . 2 . 1 7 7 PRO HG2 H 1 1.969 0.011 . . . . . . B 107 PRO HG2 . 34448 1 1025 . 2 . 1 7 7 PRO HG3 H 1 1.930 0.008 . . . . . . B 107 PRO HG3 . 34448 1 1026 . 2 . 1 7 7 PRO HD2 H 1 3.492 0.004 . . . . . . B 107 PRO HD2 . 34448 1 1027 . 2 . 1 7 7 PRO HD3 H 1 3.618 0.001 . . . . . . B 107 PRO HD3 . 34448 1 1028 . 2 . 1 7 7 PRO C C 13 178.023 0.000 . . . . . . B 107 PRO C . 34448 1 1029 . 2 . 1 7 7 PRO CA C 13 63.098 0.071 . . . . . . B 107 PRO CA . 34448 1 1030 . 2 . 1 7 7 PRO CB C 13 32.052 0.117 . . . . . . B 107 PRO CB . 34448 1 1031 . 2 . 1 7 7 PRO CG C 13 27.594 0.032 . . . . . . B 107 PRO CG . 34448 1 1032 . 2 . 1 7 7 PRO CD C 13 50.357 0.058 . . . . . . B 107 PRO CD . 34448 1 1033 . 2 . 1 8 8 LEU H H 1 8.595 0.002 . . . . . . B 108 LEU H . 34448 1 1034 . 2 . 1 8 8 LEU HA H 1 4.195 0.002 . . . . . . B 108 LEU HA . 34448 1 1035 . 2 . 1 8 8 LEU HB2 H 1 1.685 0.002 . . . . . . B 108 LEU HB2 . 34448 1 1036 . 2 . 1 8 8 LEU HB3 H 1 1.529 0.011 . . . . . . B 108 LEU HB3 . 34448 1 1037 . 2 . 1 8 8 LEU HG H 1 1.586 0.002 . . . . . . B 108 LEU HG . 34448 1 1038 . 2 . 1 8 8 LEU HD11 H 1 0.689 0.001 . . . . . . B 108 LEU HD11 . 34448 1 1039 . 2 . 1 8 8 LEU HD12 H 1 0.689 0.001 . . . . . . B 108 LEU HD12 . 34448 1 1040 . 2 . 1 8 8 LEU HD13 H 1 0.689 0.001 . . . . . . B 108 LEU HD13 . 34448 1 1041 . 2 . 1 8 8 LEU HD21 H 1 0.660 0.002 . . . . . . B 108 LEU HD21 . 34448 1 1042 . 2 . 1 8 8 LEU HD22 H 1 0.660 0.002 . . . . . . B 108 LEU HD22 . 34448 1 1043 . 2 . 1 8 8 LEU HD23 H 1 0.660 0.002 . . . . . . B 108 LEU HD23 . 34448 1 1044 . 2 . 1 8 8 LEU C C 13 177.643 0.009 . . . . . . B 108 LEU C . 34448 1 1045 . 2 . 1 8 8 LEU CA C 13 56.712 0.113 . . . . . . B 108 LEU CA . 34448 1 1046 . 2 . 1 8 8 LEU CB C 13 42.350 0.058 . . . . . . B 108 LEU CB . 34448 1 1047 . 2 . 1 8 8 LEU CG C 13 27.214 0.054 . . . . . . B 108 LEU CG . 34448 1 1048 . 2 . 1 8 8 LEU CD1 C 13 24.264 0.066 . . . . . . B 108 LEU CD1 . 34448 1 1049 . 2 . 1 8 8 LEU CD2 C 13 25.084 0.078 . . . . . . B 108 LEU CD2 . 34448 1 1050 . 2 . 1 8 8 LEU N N 15 123.046 0.017 . . . . . . B 108 LEU N . 34448 1 1051 . 2 . 1 9 9 ASP H H 1 8.389 0.004 . . . . . . B 109 ASP H . 34448 1 1052 . 2 . 1 9 9 ASP HA H 1 4.746 0.007 . . . . . . B 109 ASP HA . 34448 1 1053 . 2 . 1 9 9 ASP HB2 H 1 2.990 0.002 . . . . . . B 109 ASP HB2 . 34448 1 1054 . 2 . 1 9 9 ASP HB3 H 1 2.748 0.003 . . . . . . B 109 ASP HB3 . 34448 1 1055 . 2 . 1 9 9 ASP C C 13 177.269 0.008 . . . . . . B 109 ASP C . 34448 1 1056 . 2 . 1 9 9 ASP CA C 13 53.844 0.187 . . . . . . B 109 ASP CA . 34448 1 1057 . 2 . 1 9 9 ASP CB C 13 40.367 0.027 . . . . . . B 109 ASP CB . 34448 1 1058 . 2 . 1 9 9 ASP N N 15 117.407 0.014 . . . . . . B 109 ASP N . 34448 1 1059 . 2 . 1 10 10 THR H H 1 7.880 0.002 . . . . . . B 110 THR H . 34448 1 1060 . 2 . 1 10 10 THR HA H 1 3.932 0.003 . . . . . . B 110 THR HA . 34448 1 1061 . 2 . 1 10 10 THR HB H 1 4.071 0.005 . . . . . . B 110 THR HB . 34448 1 1062 . 2 . 1 10 10 THR HG21 H 1 1.226 0.009 . . . . . . B 110 THR HG21 . 34448 1 1063 . 2 . 1 10 10 THR HG22 H 1 1.226 0.009 . . . . . . B 110 THR HG22 . 34448 1 1064 . 2 . 1 10 10 THR HG23 H 1 1.226 0.009 . . . . . . B 110 THR HG23 . 34448 1 1065 . 2 . 1 10 10 THR C C 13 176.209 0.000 . . . . . . B 110 THR C . 34448 1 1066 . 2 . 1 10 10 THR CA C 13 66.515 0.125 . . . . . . B 110 THR CA . 34448 1 1067 . 2 . 1 10 10 THR CB C 13 68.863 0.098 . . . . . . B 110 THR CB . 34448 1 1068 . 2 . 1 10 10 THR CG2 C 13 21.691 0.063 . . . . . . B 110 THR CG2 . 34448 1 1069 . 2 . 1 10 10 THR N N 15 116.010 0.033 . . . . . . B 110 THR N . 34448 1 1070 . 2 . 1 11 11 GLU H H 1 8.598 0.003 . . . . . . B 111 GLU H . 34448 1 1071 . 2 . 1 11 11 GLU HA H 1 4.163 0.008 . . . . . . B 111 GLU HA . 34448 1 1072 . 2 . 1 11 11 GLU HB2 H 1 1.902 0.010 . . . . . . B 111 GLU HB2 . 34448 1 1073 . 2 . 1 11 11 GLU HB3 H 1 1.902 0.010 . . . . . . B 111 GLU HB3 . 34448 1 1074 . 2 . 1 11 11 GLU HG2 H 1 2.304 0.008 . . . . . . B 111 GLU HG2 . 34448 1 1075 . 2 . 1 11 11 GLU HG3 H 1 2.304 0.008 . . . . . . B 111 GLU HG3 . 34448 1 1076 . 2 . 1 11 11 GLU C C 13 177.520 0.000 . . . . . . B 111 GLU C . 34448 1 1077 . 2 . 1 11 11 GLU CA C 13 59.987 0.056 . . . . . . B 111 GLU CA . 34448 1 1078 . 2 . 1 11 11 GLU CB C 13 27.996 0.062 . . . . . . B 111 GLU CB . 34448 1 1079 . 2 . 1 11 11 GLU CG C 13 36.358 0.010 . . . . . . B 111 GLU CG . 34448 1 1080 . 2 . 1 11 11 GLU N N 15 119.387 0.058 . . . . . . B 111 GLU N . 34448 1 1081 . 2 . 1 12 12 LEU H H 1 7.563 0.002 . . . . . . B 112 LEU H . 34448 1 1082 . 2 . 1 12 12 LEU HA H 1 3.966 0.004 . . . . . . B 112 LEU HA . 34448 1 1083 . 2 . 1 12 12 LEU HB2 H 1 2.152 0.014 . . . . . . B 112 LEU HB2 . 34448 1 1084 . 2 . 1 12 12 LEU HB3 H 1 1.467 0.008 . . . . . . B 112 LEU HB3 . 34448 1 1085 . 2 . 1 12 12 LEU HG H 1 1.579 0.002 . . . . . . B 112 LEU HG . 34448 1 1086 . 2 . 1 12 12 LEU HD11 H 1 0.879 0.003 . . . . . . B 112 LEU HD11 . 34448 1 1087 . 2 . 1 12 12 LEU HD12 H 1 0.879 0.003 . . . . . . B 112 LEU HD12 . 34448 1 1088 . 2 . 1 12 12 LEU HD13 H 1 0.879 0.003 . . . . . . B 112 LEU HD13 . 34448 1 1089 . 2 . 1 12 12 LEU HD21 H 1 0.860 0.003 . . . . . . B 112 LEU HD21 . 34448 1 1090 . 2 . 1 12 12 LEU HD22 H 1 0.860 0.003 . . . . . . B 112 LEU HD22 . 34448 1 1091 . 2 . 1 12 12 LEU HD23 H 1 0.860 0.003 . . . . . . B 112 LEU HD23 . 34448 1 1092 . 2 . 1 12 12 LEU C C 13 177.711 0.000 . . . . . . B 112 LEU C . 34448 1 1093 . 2 . 1 12 12 LEU CA C 13 57.925 0.100 . . . . . . B 112 LEU CA . 34448 1 1094 . 2 . 1 12 12 LEU CB C 13 42.090 0.114 . . . . . . B 112 LEU CB . 34448 1 1095 . 2 . 1 12 12 LEU CG C 13 27.158 0.038 . . . . . . B 112 LEU CG . 34448 1 1096 . 2 . 1 12 12 LEU CD1 C 13 28.396 0.089 . . . . . . B 112 LEU CD1 . 34448 1 1097 . 2 . 1 12 12 LEU CD2 C 13 22.889 0.022 . . . . . . B 112 LEU CD2 . 34448 1 1098 . 2 . 1 12 12 LEU N N 15 120.406 0.021 . . . . . . B 112 LEU N . 34448 1 1099 . 2 . 1 13 13 SER H H 1 8.465 0.005 . . . . . . B 113 SER H . 34448 1 1100 . 2 . 1 13 13 SER HA H 1 4.381 0.014 . . . . . . B 113 SER HA . 34448 1 1101 . 2 . 1 13 13 SER HB2 H 1 3.838 0.004 . . . . . . B 113 SER HB2 . 34448 1 1102 . 2 . 1 13 13 SER HB3 H 1 3.897 0.009 . . . . . . B 113 SER HB3 . 34448 1 1103 . 2 . 1 13 13 SER C C 13 177.266 0.000 . . . . . . B 113 SER C . 34448 1 1104 . 2 . 1 13 13 SER CA C 13 61.462 0.125 . . . . . . B 113 SER CA . 34448 1 1105 . 2 . 1 13 13 SER CB C 13 62.717 0.061 . . . . . . B 113 SER CB . 34448 1 1106 . 2 . 1 13 13 SER N N 15 114.509 0.013 . . . . . . B 113 SER N . 34448 1 1107 . 2 . 1 14 14 GLU H H 1 7.660 0.002 . . . . . . B 114 GLU H . 34448 1 1108 . 2 . 1 14 14 GLU HA H 1 3.996 0.008 . . . . . . B 114 GLU HA . 34448 1 1109 . 2 . 1 14 14 GLU HB2 H 1 2.148 0.001 . . . . . . B 114 GLU HB2 . 34448 1 1110 . 2 . 1 14 14 GLU HB3 H 1 2.072 0.007 . . . . . . B 114 GLU HB3 . 34448 1 1111 . 2 . 1 14 14 GLU HG2 H 1 2.054 0.009 . . . . . . B 114 GLU HG2 . 34448 1 1112 . 2 . 1 14 14 GLU HG3 H 1 2.376 0.002 . . . . . . B 114 GLU HG3 . 34448 1 1113 . 2 . 1 14 14 GLU C C 13 179.282 0.002 . . . . . . B 114 GLU C . 34448 1 1114 . 2 . 1 14 14 GLU CA C 13 59.246 0.085 . . . . . . B 114 GLU CA . 34448 1 1115 . 2 . 1 14 14 GLU CB C 13 29.537 0.121 . . . . . . B 114 GLU CB . 34448 1 1116 . 2 . 1 14 14 GLU CG C 13 36.330 0.051 . . . . . . B 114 GLU CG . 34448 1 1117 . 2 . 1 14 14 GLU N N 15 121.291 0.001 . . . . . . B 114 GLU N . 34448 1 1118 . 2 . 1 15 15 ILE H H 1 7.726 0.004 . . . . . . B 115 ILE H . 34448 1 1119 . 2 . 1 15 15 ILE HA H 1 3.862 0.004 . . . . . . B 115 ILE HA . 34448 1 1120 . 2 . 1 15 15 ILE HB H 1 2.198 0.006 . . . . . . B 115 ILE HB . 34448 1 1121 . 2 . 1 15 15 ILE HG12 H 1 1.771 0.004 . . . . . . B 115 ILE HG12 . 34448 1 1122 . 2 . 1 15 15 ILE HG13 H 1 1.288 0.008 . . . . . . B 115 ILE HG13 . 34448 1 1123 . 2 . 1 15 15 ILE HG21 H 1 1.010 0.002 . . . . . . B 115 ILE HG21 . 34448 1 1124 . 2 . 1 15 15 ILE HG22 H 1 1.010 0.002 . . . . . . B 115 ILE HG22 . 34448 1 1125 . 2 . 1 15 15 ILE HG23 H 1 1.010 0.002 . . . . . . B 115 ILE HG23 . 34448 1 1126 . 2 . 1 15 15 ILE HD11 H 1 0.742 0.002 . . . . . . B 115 ILE HD11 . 34448 1 1127 . 2 . 1 15 15 ILE HD12 H 1 0.742 0.002 . . . . . . B 115 ILE HD12 . 34448 1 1128 . 2 . 1 15 15 ILE HD13 H 1 0.742 0.002 . . . . . . B 115 ILE HD13 . 34448 1 1129 . 2 . 1 15 15 ILE C C 13 178.803 0.030 . . . . . . B 115 ILE C . 34448 1 1130 . 2 . 1 15 15 ILE CA C 13 62.458 0.106 . . . . . . B 115 ILE CA . 34448 1 1131 . 2 . 1 15 15 ILE CB C 13 36.362 0.101 . . . . . . B 115 ILE CB . 34448 1 1132 . 2 . 1 15 15 ILE CG1 C 13 29.794 0.065 . . . . . . B 115 ILE CG1 . 34448 1 1133 . 2 . 1 15 15 ILE CG2 C 13 19.939 0.049 . . . . . . B 115 ILE CG2 . 34448 1 1134 . 2 . 1 15 15 ILE CD1 C 13 10.808 0.072 . . . . . . B 115 ILE CD1 . 34448 1 1135 . 2 . 1 15 15 ILE N N 15 119.944 0.021 . . . . . . B 115 ILE N . 34448 1 1136 . 2 . 1 16 16 GLU H H 1 8.716 0.004 . . . . . . B 116 GLU H . 34448 1 1137 . 2 . 1 16 16 GLU HA H 1 3.775 0.003 . . . . . . B 116 GLU HA . 34448 1 1138 . 2 . 1 16 16 GLU HB2 H 1 1.905 0.002 . . . . . . B 116 GLU HB2 . 34448 1 1139 . 2 . 1 16 16 GLU HB3 H 1 2.254 0.006 . . . . . . B 116 GLU HB3 . 34448 1 1140 . 2 . 1 16 16 GLU HG2 H 1 2.464 0.004 . . . . . . B 116 GLU HG2 . 34448 1 1141 . 2 . 1 16 16 GLU HG3 H 1 2.211 0.007 . . . . . . B 116 GLU HG3 . 34448 1 1142 . 2 . 1 16 16 GLU C C 13 177.901 0.004 . . . . . . B 116 GLU C . 34448 1 1143 . 2 . 1 16 16 GLU CA C 13 58.961 0.094 . . . . . . B 116 GLU CA . 34448 1 1144 . 2 . 1 16 16 GLU CB C 13 30.010 0.061 . . . . . . B 116 GLU CB . 34448 1 1145 . 2 . 1 16 16 GLU CG C 13 37.794 0.057 . . . . . . B 116 GLU CG . 34448 1 1146 . 2 . 1 16 16 GLU N N 15 119.942 0.014 . . . . . . B 116 GLU N . 34448 1 1147 . 2 . 1 17 17 GLY H H 1 7.426 0.003 . . . . . . B 117 GLY H . 34448 1 1148 . 2 . 1 17 17 GLY HA2 H 1 4.260 0.004 . . . . . . B 117 GLY HA2 . 34448 1 1149 . 2 . 1 17 17 GLY HA3 H 1 3.772 0.007 . . . . . . B 117 GLY HA3 . 34448 1 1150 . 2 . 1 17 17 GLY C C 13 174.474 0.000 . . . . . . B 117 GLY C . 34448 1 1151 . 2 . 1 17 17 GLY CA C 13 45.049 0.054 . . . . . . B 117 GLY CA . 34448 1 1152 . 2 . 1 17 17 GLY N N 15 103.360 0.024 . . . . . . B 117 GLY N . 34448 1 1153 . 2 . 1 18 18 LEU H H 1 7.394 0.002 . . . . . . B 118 LEU H . 34448 1 1154 . 2 . 1 18 18 LEU HA H 1 4.448 0.007 . . . . . . B 118 LEU HA . 34448 1 1155 . 2 . 1 18 18 LEU HB2 H 1 1.418 0.005 . . . . . . B 118 LEU HB2 . 34448 1 1156 . 2 . 1 18 18 LEU HB3 H 1 1.994 0.006 . . . . . . B 118 LEU HB3 . 34448 1 1157 . 2 . 1 18 18 LEU HG H 1 2.226 0.002 . . . . . . B 118 LEU HG . 34448 1 1158 . 2 . 1 18 18 LEU HD11 H 1 0.845 0.003 . . . . . . B 118 LEU HD11 . 34448 1 1159 . 2 . 1 18 18 LEU HD12 H 1 0.845 0.003 . . . . . . B 118 LEU HD12 . 34448 1 1160 . 2 . 1 18 18 LEU HD13 H 1 0.845 0.003 . . . . . . B 118 LEU HD13 . 34448 1 1161 . 2 . 1 18 18 LEU HD21 H 1 0.872 0.006 . . . . . . B 118 LEU HD21 . 34448 1 1162 . 2 . 1 18 18 LEU HD22 H 1 0.872 0.006 . . . . . . B 118 LEU HD22 . 34448 1 1163 . 2 . 1 18 18 LEU HD23 H 1 0.872 0.006 . . . . . . B 118 LEU HD23 . 34448 1 1164 . 2 . 1 18 18 LEU C C 13 177.259 0.009 . . . . . . B 118 LEU C . 34448 1 1165 . 2 . 1 18 18 LEU CA C 13 55.319 0.103 . . . . . . B 118 LEU CA . 34448 1 1166 . 2 . 1 18 18 LEU CB C 13 42.662 0.058 . . . . . . B 118 LEU CB . 34448 1 1167 . 2 . 1 18 18 LEU CG C 13 25.973 0.149 . . . . . . B 118 LEU CG . 34448 1 1168 . 2 . 1 18 18 LEU CD1 C 13 22.475 0.054 . . . . . . B 118 LEU CD1 . 34448 1 1169 . 2 . 1 18 18 LEU CD2 C 13 26.767 0.054 . . . . . . B 118 LEU CD2 . 34448 1 1170 . 2 . 1 18 18 LEU N N 15 121.142 0.009 . . . . . . B 118 LEU N . 34448 1 1171 . 2 . 1 19 19 GLN H H 1 9.181 0.003 . . . . . . B 119 GLN H . 34448 1 1172 . 2 . 1 19 19 GLN HA H 1 4.588 0.003 . . . . . . B 119 GLN HA . 34448 1 1173 . 2 . 1 19 19 GLN HB2 H 1 2.468 0.004 . . . . . . B 119 GLN HB2 . 34448 1 1174 . 2 . 1 19 19 GLN HB3 H 1 2.073 0.006 . . . . . . B 119 GLN HB3 . 34448 1 1175 . 2 . 1 19 19 GLN HG2 H 1 2.541 0.001 . . . . . . B 119 GLN HG2 . 34448 1 1176 . 2 . 1 19 19 GLN HG3 H 1 2.480 0.007 . . . . . . B 119 GLN HG3 . 34448 1 1177 . 2 . 1 19 19 GLN HE21 H 1 7.539 0.002 . . . . . . B 119 GLN HE21 . 34448 1 1178 . 2 . 1 19 19 GLN HE22 H 1 6.899 0.001 . . . . . . B 119 GLN HE22 . 34448 1 1179 . 2 . 1 19 19 GLN C C 13 177.370 0.007 . . . . . . B 119 GLN C . 34448 1 1180 . 2 . 1 19 19 GLN CA C 13 54.222 0.094 . . . . . . B 119 GLN CA . 34448 1 1181 . 2 . 1 19 19 GLN CB C 13 30.214 0.054 . . . . . . B 119 GLN CB . 34448 1 1182 . 2 . 1 19 19 GLN CG C 13 34.300 0.079 . . . . . . B 119 GLN CG . 34448 1 1183 . 2 . 1 19 19 GLN N N 15 121.433 0.009 . . . . . . B 119 GLN N . 34448 1 1184 . 2 . 1 19 19 GLN NE2 N 15 113.730 0.002 . . . . . . B 119 GLN NE2 . 34448 1 1185 . 2 . 1 20 20 ASP H H 1 8.861 0.001 . . . . . . B 120 ASP H . 34448 1 1186 . 2 . 1 20 20 ASP HA H 1 4.448 0.007 . . . . . . B 120 ASP HA . 34448 1 1187 . 2 . 1 20 20 ASP HB2 H 1 2.723 0.004 . . . . . . B 120 ASP HB2 . 34448 1 1188 . 2 . 1 20 20 ASP HB3 H 1 2.723 0.004 . . . . . . B 120 ASP HB3 . 34448 1 1189 . 2 . 1 20 20 ASP C C 13 178.332 0.017 . . . . . . B 120 ASP C . 34448 1 1190 . 2 . 1 20 20 ASP CA C 13 58.937 0.155 . . . . . . B 120 ASP CA . 34448 1 1191 . 2 . 1 20 20 ASP CB C 13 40.508 0.062 . . . . . . B 120 ASP CB . 34448 1 1192 . 2 . 1 20 20 ASP N N 15 122.285 0.004 . . . . . . B 120 ASP N . 34448 1 1193 . 2 . 1 21 21 ASP H H 1 8.857 0.003 . . . . . . B 121 ASP H . 34448 1 1194 . 2 . 1 21 21 ASP HA H 1 4.256 0.005 . . . . . . B 121 ASP HA . 34448 1 1195 . 2 . 1 21 21 ASP HB2 H 1 2.518 0.010 . . . . . . B 121 ASP HB2 . 34448 1 1196 . 2 . 1 21 21 ASP HB3 H 1 2.606 0.004 . . . . . . B 121 ASP HB3 . 34448 1 1197 . 2 . 1 21 21 ASP C C 13 178.971 0.005 . . . . . . B 121 ASP C . 34448 1 1198 . 2 . 1 21 21 ASP CA C 13 57.375 0.131 . . . . . . B 121 ASP CA . 34448 1 1199 . 2 . 1 21 21 ASP CB C 13 39.789 0.058 . . . . . . B 121 ASP CB . 34448 1 1200 . 2 . 1 21 21 ASP N N 15 117.147 0.019 . . . . . . B 121 ASP N . 34448 1 1201 . 2 . 1 22 22 ASP H H 1 7.385 0.003 . . . . . . B 122 ASP H . 34448 1 1202 . 2 . 1 22 22 ASP HA H 1 4.470 0.003 . . . . . . B 122 ASP HA . 34448 1 1203 . 2 . 1 22 22 ASP HB2 H 1 2.891 0.002 . . . . . . B 122 ASP HB2 . 34448 1 1204 . 2 . 1 22 22 ASP HB3 H 1 2.747 0.006 . . . . . . B 122 ASP HB3 . 34448 1 1205 . 2 . 1 22 22 ASP C C 13 179.039 0.014 . . . . . . B 122 ASP C . 34448 1 1206 . 2 . 1 22 22 ASP CA C 13 56.824 0.148 . . . . . . B 122 ASP CA . 34448 1 1207 . 2 . 1 22 22 ASP CB C 13 42.326 0.065 . . . . . . B 122 ASP CB . 34448 1 1208 . 2 . 1 22 22 ASP N N 15 119.462 0.006 . . . . . . B 122 ASP N . 34448 1 1209 . 2 . 1 23 23 LEU H H 1 8.148 0.003 . . . . . . B 123 LEU H . 34448 1 1210 . 2 . 1 23 23 LEU HA H 1 3.978 0.003 . . . . . . B 123 LEU HA . 34448 1 1211 . 2 . 1 23 23 LEU HB2 H 1 1.991 0.005 . . . . . . B 123 LEU HB2 . 34448 1 1212 . 2 . 1 23 23 LEU HB3 H 1 1.467 0.004 . . . . . . B 123 LEU HB3 . 34448 1 1213 . 2 . 1 23 23 LEU HG H 1 1.667 0.006 . . . . . . B 123 LEU HG . 34448 1 1214 . 2 . 1 23 23 LEU HD11 H 1 0.817 0.001 . . . . . . B 123 LEU HD11 . 34448 1 1215 . 2 . 1 23 23 LEU HD12 H 1 0.817 0.001 . . . . . . B 123 LEU HD12 . 34448 1 1216 . 2 . 1 23 23 LEU HD13 H 1 0.817 0.001 . . . . . . B 123 LEU HD13 . 34448 1 1217 . 2 . 1 23 23 LEU HD21 H 1 0.914 0.007 . . . . . . B 123 LEU HD21 . 34448 1 1218 . 2 . 1 23 23 LEU HD22 H 1 0.914 0.007 . . . . . . B 123 LEU HD22 . 34448 1 1219 . 2 . 1 23 23 LEU HD23 H 1 0.914 0.007 . . . . . . B 123 LEU HD23 . 34448 1 1220 . 2 . 1 23 23 LEU C C 13 178.054 0.013 . . . . . . B 123 LEU C . 34448 1 1221 . 2 . 1 23 23 LEU CA C 13 57.777 0.119 . . . . . . B 123 LEU CA . 34448 1 1222 . 2 . 1 23 23 LEU CB C 13 42.320 0.075 . . . . . . B 123 LEU CB . 34448 1 1223 . 2 . 1 23 23 LEU CG C 13 26.786 0.095 . . . . . . B 123 LEU CG . 34448 1 1224 . 2 . 1 23 23 LEU CD1 C 13 24.805 0.048 . . . . . . B 123 LEU CD1 . 34448 1 1225 . 2 . 1 23 23 LEU CD2 C 13 26.162 0.076 . . . . . . B 123 LEU CD2 . 34448 1 1226 . 2 . 1 23 23 LEU N N 15 121.195 0.007 . . . . . . B 123 LEU N . 34448 1 1227 . 2 . 1 24 24 ALA H H 1 8.243 0.002 . . . . . . B 124 ALA H . 34448 1 1228 . 2 . 1 24 24 ALA HA H 1 3.498 0.003 . . . . . . B 124 ALA HA . 34448 1 1229 . 2 . 1 24 24 ALA HB1 H 1 0.871 0.002 . . . . . . B 124 ALA HB1 . 34448 1 1230 . 2 . 1 24 24 ALA HB2 H 1 0.871 0.002 . . . . . . B 124 ALA HB2 . 34448 1 1231 . 2 . 1 24 24 ALA HB3 H 1 0.871 0.002 . . . . . . B 124 ALA HB3 . 34448 1 1232 . 2 . 1 24 24 ALA C C 13 180.228 0.008 . . . . . . B 124 ALA C . 34448 1 1233 . 2 . 1 24 24 ALA CA C 13 55.461 0.131 . . . . . . B 124 ALA CA . 34448 1 1234 . 2 . 1 24 24 ALA CB C 13 17.285 0.062 . . . . . . B 124 ALA CB . 34448 1 1235 . 2 . 1 24 24 ALA N N 15 122.032 0.011 . . . . . . B 124 ALA N . 34448 1 1236 . 2 . 1 25 25 ALA H H 1 7.306 0.002 . . . . . . B 125 ALA H . 34448 1 1237 . 2 . 1 25 25 ALA HA H 1 4.083 0.006 . . . . . . B 125 ALA HA . 34448 1 1238 . 2 . 1 25 25 ALA HB1 H 1 1.466 0.006 . . . . . . B 125 ALA HB1 . 34448 1 1239 . 2 . 1 25 25 ALA HB2 H 1 1.466 0.006 . . . . . . B 125 ALA HB2 . 34448 1 1240 . 2 . 1 25 25 ALA HB3 H 1 1.466 0.006 . . . . . . B 125 ALA HB3 . 34448 1 1241 . 2 . 1 25 25 ALA C C 13 179.567 0.003 . . . . . . B 125 ALA C . 34448 1 1242 . 2 . 1 25 25 ALA CA C 13 54.481 0.089 . . . . . . B 125 ALA CA . 34448 1 1243 . 2 . 1 25 25 ALA CB C 13 18.118 0.090 . . . . . . B 125 ALA CB . 34448 1 1244 . 2 . 1 25 25 ALA N N 15 119.329 0.010 . . . . . . B 125 ALA N . 34448 1 1245 . 2 . 1 26 26 LEU H H 1 7.448 0.002 . . . . . . B 126 LEU H . 34448 1 1246 . 2 . 1 26 26 LEU HA H 1 4.147 0.005 . . . . . . B 126 LEU HA . 34448 1 1247 . 2 . 1 26 26 LEU HB2 H 1 1.801 0.001 . . . . . . B 126 LEU HB2 . 34448 1 1248 . 2 . 1 26 26 LEU HB3 H 1 1.539 0.006 . . . . . . B 126 LEU HB3 . 34448 1 1249 . 2 . 1 26 26 LEU HG H 1 1.674 0.004 . . . . . . B 126 LEU HG . 34448 1 1250 . 2 . 1 26 26 LEU HD11 H 1 0.873 0.001 . . . . . . B 126 LEU HD11 . 34448 1 1251 . 2 . 1 26 26 LEU HD12 H 1 0.873 0.001 . . . . . . B 126 LEU HD12 . 34448 1 1252 . 2 . 1 26 26 LEU HD13 H 1 0.873 0.001 . . . . . . B 126 LEU HD13 . 34448 1 1253 . 2 . 1 26 26 LEU HD21 H 1 0.877 0.003 . . . . . . B 126 LEU HD21 . 34448 1 1254 . 2 . 1 26 26 LEU HD22 H 1 0.877 0.003 . . . . . . B 126 LEU HD22 . 34448 1 1255 . 2 . 1 26 26 LEU HD23 H 1 0.877 0.003 . . . . . . B 126 LEU HD23 . 34448 1 1256 . 2 . 1 26 26 LEU C C 13 178.328 0.007 . . . . . . B 126 LEU C . 34448 1 1257 . 2 . 1 26 26 LEU CA C 13 57.190 0.095 . . . . . . B 126 LEU CA . 34448 1 1258 . 2 . 1 26 26 LEU CB C 13 43.600 0.027 . . . . . . B 126 LEU CB . 34448 1 1259 . 2 . 1 26 26 LEU CG C 13 26.928 0.055 . . . . . . B 126 LEU CG . 34448 1 1260 . 2 . 1 26 26 LEU CD1 C 13 24.264 0.107 . . . . . . B 126 LEU CD1 . 34448 1 1261 . 2 . 1 26 26 LEU CD2 C 13 25.075 0.077 . . . . . . B 126 LEU CD2 . 34448 1 1262 . 2 . 1 26 26 LEU N N 15 117.944 0.004 . . . . . . B 126 LEU N . 34448 1 1263 . 2 . 1 27 27 LEU H H 1 8.084 0.007 . . . . . . B 127 LEU H . 34448 1 1264 . 2 . 1 27 27 LEU HA H 1 4.236 0.011 . . . . . . B 127 LEU HA . 34448 1 1265 . 2 . 1 27 27 LEU HB2 H 1 1.763 0.002 . . . . . . B 127 LEU HB2 . 34448 1 1266 . 2 . 1 27 27 LEU HB3 H 1 1.393 0.009 . . . . . . B 127 LEU HB3 . 34448 1 1267 . 2 . 1 27 27 LEU HG H 1 1.828 0.016 . . . . . . B 127 LEU HG . 34448 1 1268 . 2 . 1 27 27 LEU HD11 H 1 0.783 0.005 . . . . . . B 127 LEU HD11 . 34448 1 1269 . 2 . 1 27 27 LEU HD12 H 1 0.783 0.005 . . . . . . B 127 LEU HD12 . 34448 1 1270 . 2 . 1 27 27 LEU HD13 H 1 0.783 0.005 . . . . . . B 127 LEU HD13 . 34448 1 1271 . 2 . 1 27 27 LEU HD21 H 1 1.041 0.004 . . . . . . B 127 LEU HD21 . 34448 1 1272 . 2 . 1 27 27 LEU HD22 H 1 1.041 0.004 . . . . . . B 127 LEU HD22 . 34448 1 1273 . 2 . 1 27 27 LEU HD23 H 1 1.041 0.004 . . . . . . B 127 LEU HD23 . 34448 1 1274 . 2 . 1 27 27 LEU C C 13 177.814 0.013 . . . . . . B 127 LEU C . 34448 1 1275 . 2 . 1 27 27 LEU CA C 13 55.121 0.065 . . . . . . B 127 LEU CA . 34448 1 1276 . 2 . 1 27 27 LEU CB C 13 43.038 0.039 . . . . . . B 127 LEU CB . 34448 1 1277 . 2 . 1 27 27 LEU CG C 13 27.236 0.056 . . . . . . B 127 LEU CG . 34448 1 1278 . 2 . 1 27 27 LEU CD1 C 13 23.186 0.048 . . . . . . B 127 LEU CD1 . 34448 1 1279 . 2 . 1 27 27 LEU CD2 C 13 26.407 0.061 . . . . . . B 127 LEU CD2 . 34448 1 1280 . 2 . 1 27 27 LEU N N 15 115.234 0.000 . . . . . . B 127 LEU N . 34448 1 1281 . 2 . 1 28 28 GLY H H 1 7.716 0.003 . . . . . . B 128 GLY H . 34448 1 1282 . 2 . 1 28 28 GLY HA2 H 1 3.749 0.015 . . . . . . B 128 GLY HA2 . 34448 1 1283 . 2 . 1 28 28 GLY HA3 H 1 3.749 0.015 . . . . . . B 128 GLY HA3 . 34448 1 1284 . 2 . 1 28 28 GLY C C 13 176.260 0.023 . . . . . . B 128 GLY C . 34448 1 1285 . 2 . 1 28 28 GLY CA C 13 46.476 0.077 . . . . . . B 128 GLY CA . 34448 1 1286 . 2 . 1 28 28 GLY N N 15 107.668 0.010 . . . . . . B 128 GLY N . 34448 1 1287 . 2 . 1 29 29 LYS H H 1 8.808 0.003 . . . . . . B 129 LYS H . 34448 1 1288 . 2 . 1 29 29 LYS HA H 1 4.204 0.003 . . . . . . B 129 LYS HA . 34448 1 1289 . 2 . 1 29 29 LYS HB2 H 1 1.895 0.002 . . . . . . B 129 LYS HB2 . 34448 1 1290 . 2 . 1 29 29 LYS HB3 H 1 1.809 0.003 . . . . . . B 129 LYS HB3 . 34448 1 1291 . 2 . 1 29 29 LYS HG2 H 1 1.484 0.005 . . . . . . B 129 LYS HG2 . 34448 1 1292 . 2 . 1 29 29 LYS HG3 H 1 1.353 0.003 . . . . . . B 129 LYS HG3 . 34448 1 1293 . 2 . 1 29 29 LYS HD2 H 1 1.666 0.004 . . . . . . B 129 LYS HD2 . 34448 1 1294 . 2 . 1 29 29 LYS HD3 H 1 1.666 0.004 . . . . . . B 129 LYS HD3 . 34448 1 1295 . 2 . 1 29 29 LYS HE2 H 1 2.995 0.001 . . . . . . B 129 LYS HE2 . 34448 1 1296 . 2 . 1 29 29 LYS HE3 H 1 2.995 0.001 . . . . . . B 129 LYS HE3 . 34448 1 1297 . 2 . 1 29 29 LYS C C 13 176.910 0.016 . . . . . . B 129 LYS C . 34448 1 1298 . 2 . 1 29 29 LYS CA C 13 57.891 0.037 . . . . . . B 129 LYS CA . 34448 1 1299 . 2 . 1 29 29 LYS CB C 13 32.226 0.028 . . . . . . B 129 LYS CB . 34448 1 1300 . 2 . 1 29 29 LYS CG C 13 24.282 0.055 . . . . . . B 129 LYS CG . 34448 1 1301 . 2 . 1 29 29 LYS CD C 13 29.400 0.071 . . . . . . B 129 LYS CD . 34448 1 1302 . 2 . 1 29 29 LYS CE C 13 42.101 0.060 . . . . . . B 129 LYS CE . 34448 1 1303 . 2 . 1 29 29 LYS N N 15 124.948 0.009 . . . . . . B 129 LYS N . 34448 1 1304 . 2 . 1 30 30 GLU H H 1 8.079 0.002 . . . . . . B 130 GLU H . 34448 1 1305 . 2 . 1 30 30 GLU HA H 1 4.480 0.003 . . . . . . B 130 GLU HA . 34448 1 1306 . 2 . 1 30 30 GLU HB2 H 1 2.106 0.001 . . . . . . B 130 GLU HB2 . 34448 1 1307 . 2 . 1 30 30 GLU HB3 H 1 1.757 0.007 . . . . . . B 130 GLU HB3 . 34448 1 1308 . 2 . 1 30 30 GLU HG2 H 1 2.197 0.006 . . . . . . B 130 GLU HG2 . 34448 1 1309 . 2 . 1 30 30 GLU HG3 H 1 2.197 0.006 . . . . . . B 130 GLU HG3 . 34448 1 1310 . 2 . 1 30 30 GLU C C 13 176.135 0.012 . . . . . . B 130 GLU C . 34448 1 1311 . 2 . 1 30 30 GLU CA C 13 55.484 0.073 . . . . . . B 130 GLU CA . 34448 1 1312 . 2 . 1 30 30 GLU CB C 13 28.617 0.076 . . . . . . B 130 GLU CB . 34448 1 1313 . 2 . 1 30 30 GLU CG C 13 35.382 0.051 . . . . . . B 130 GLU CG . 34448 1 1314 . 2 . 1 30 30 GLU N N 15 117.198 0.011 . . . . . . B 130 GLU N . 34448 1 1315 . 2 . 1 31 31 PHE H H 1 7.482 0.003 . . . . . . B 131 PHE H . 34448 1 1316 . 2 . 1 31 31 PHE HA H 1 4.135 0.005 . . . . . . B 131 PHE HA . 34448 1 1317 . 2 . 1 31 31 PHE HB2 H 1 3.000 0.015 . . . . . . B 131 PHE HB2 . 34448 1 1318 . 2 . 1 31 31 PHE HB3 H 1 2.978 0.002 . . . . . . B 131 PHE HB3 . 34448 1 1319 . 2 . 1 31 31 PHE HD1 H 1 6.951 0.004 . . . . . . B 131 PHE HD1 . 34448 1 1320 . 2 . 1 31 31 PHE HD2 H 1 6.951 0.004 . . . . . . B 131 PHE HD2 . 34448 1 1321 . 2 . 1 31 31 PHE HE1 H 1 7.204 0.004 . . . . . . B 131 PHE HE1 . 34448 1 1322 . 2 . 1 31 31 PHE HE2 H 1 7.204 0.004 . . . . . . B 131 PHE HE2 . 34448 1 1323 . 2 . 1 31 31 PHE HZ H 1 7.188 0.004 . . . . . . B 131 PHE HZ . 34448 1 1324 . 2 . 1 31 31 PHE C C 13 175.020 0.000 . . . . . . B 131 PHE C . 34448 1 1325 . 2 . 1 31 31 PHE CA C 13 58.782 0.150 . . . . . . B 131 PHE CA . 34448 1 1326 . 2 . 1 31 31 PHE CB C 13 39.831 0.029 . . . . . . B 131 PHE CB . 34448 1 1327 . 2 . 1 31 31 PHE CD1 C 13 131.388 0.057 . . . . . . B 131 PHE CD1 . 34448 1 1328 . 2 . 1 31 31 PHE CE1 C 13 131.794 0.121 . . . . . . B 131 PHE CE1 . 34448 1 1329 . 2 . 1 31 31 PHE CZ C 13 129.810 0.001 . . . . . . B 131 PHE CZ . 34448 1 1330 . 2 . 1 31 31 PHE N N 15 119.069 0.012 . . . . . . B 131 PHE N . 34448 1 1331 . 2 . 1 32 32 ILE H H 1 8.677 0.004 . . . . . . B 132 ILE H . 34448 1 1332 . 2 . 1 32 32 ILE HA H 1 3.887 0.002 . . . . . . B 132 ILE HA . 34448 1 1333 . 2 . 1 32 32 ILE HB H 1 1.645 0.007 . . . . . . B 132 ILE HB . 34448 1 1334 . 2 . 1 32 32 ILE HG12 H 1 1.617 0.012 . . . . . . B 132 ILE HG12 . 34448 1 1335 . 2 . 1 32 32 ILE HG13 H 1 1.039 0.002 . . . . . . B 132 ILE HG13 . 34448 1 1336 . 2 . 1 32 32 ILE HG21 H 1 0.756 0.007 . . . . . . B 132 ILE HG21 . 34448 1 1337 . 2 . 1 32 32 ILE HG22 H 1 0.756 0.007 . . . . . . B 132 ILE HG22 . 34448 1 1338 . 2 . 1 32 32 ILE HG23 H 1 0.756 0.007 . . . . . . B 132 ILE HG23 . 34448 1 1339 . 2 . 1 32 32 ILE HD11 H 1 0.803 0.002 . . . . . . B 132 ILE HD11 . 34448 1 1340 . 2 . 1 32 32 ILE HD12 H 1 0.803 0.002 . . . . . . B 132 ILE HD12 . 34448 1 1341 . 2 . 1 32 32 ILE HD13 H 1 0.803 0.002 . . . . . . B 132 ILE HD13 . 34448 1 1342 . 2 . 1 32 32 ILE C C 13 175.607 0.011 . . . . . . B 132 ILE C . 34448 1 1343 . 2 . 1 32 32 ILE CA C 13 61.330 0.132 . . . . . . B 132 ILE CA . 34448 1 1344 . 2 . 1 32 32 ILE CB C 13 38.222 0.098 . . . . . . B 132 ILE CB . 34448 1 1345 . 2 . 1 32 32 ILE CG1 C 13 27.449 0.060 . . . . . . B 132 ILE CG1 . 34448 1 1346 . 2 . 1 32 32 ILE CG2 C 13 17.463 0.069 . . . . . . B 132 ILE CG2 . 34448 1 1347 . 2 . 1 32 32 ILE CD1 C 13 13.578 0.062 . . . . . . B 132 ILE CD1 . 34448 1 1348 . 2 . 1 32 32 ILE N N 15 128.993 0.000 . . . . . . B 132 ILE N . 34448 1 1349 . 2 . 1 33 33 ARG H H 1 8.305 0.004 . . . . . . B 133 ARG H . 34448 1 1350 . 2 . 1 33 33 ARG HA H 1 4.206 0.003 . . . . . . B 133 ARG HA . 34448 1 1351 . 2 . 1 33 33 ARG HB2 H 1 1.706 0.001 . . . . . . B 133 ARG HB2 . 34448 1 1352 . 2 . 1 33 33 ARG HB3 H 1 1.805 0.004 . . . . . . B 133 ARG HB3 . 34448 1 1353 . 2 . 1 33 33 ARG HG2 H 1 1.635 0.007 . . . . . . B 133 ARG HG2 . 34448 1 1354 . 2 . 1 33 33 ARG HG3 H 1 1.635 0.007 . . . . . . B 133 ARG HG3 . 34448 1 1355 . 2 . 1 33 33 ARG HD2 H 1 3.212 0.005 . . . . . . B 133 ARG HD2 . 34448 1 1356 . 2 . 1 33 33 ARG HD3 H 1 3.212 0.005 . . . . . . B 133 ARG HD3 . 34448 1 1357 . 2 . 1 33 33 ARG HE H 1 7.322 0.002 . . . . . . B 133 ARG HE . 34448 1 1358 . 2 . 1 33 33 ARG C C 13 176.192 0.007 . . . . . . B 133 ARG C . 34448 1 1359 . 2 . 1 33 33 ARG CA C 13 55.633 0.098 . . . . . . B 133 ARG CA . 34448 1 1360 . 2 . 1 33 33 ARG CB C 13 31.168 0.073 . . . . . . B 133 ARG CB . 34448 1 1361 . 2 . 1 33 33 ARG CG C 13 27.467 0.042 . . . . . . B 133 ARG CG . 34448 1 1362 . 2 . 1 33 33 ARG CD C 13 43.465 0.080 . . . . . . B 133 ARG CD . 34448 1 1363 . 2 . 1 33 33 ARG N N 15 126.677 0.004 . . . . . . B 133 ARG N . 34448 1 1364 . 2 . 1 33 33 ARG NE N 15 84.653 0.057 . . . . . . B 133 ARG NE . 34448 1 1365 . 2 . 1 34 34 GLU H H 1 8.621 0.002 . . . . . . B 134 GLU H . 34448 1 1366 . 2 . 1 34 34 GLU HA H 1 4.245 0.005 . . . . . . B 134 GLU HA . 34448 1 1367 . 2 . 1 34 34 GLU HB2 H 1 2.033 0.003 . . . . . . B 134 GLU HB2 . 34448 1 1368 . 2 . 1 34 34 GLU HB3 H 1 1.958 0.002 . . . . . . B 134 GLU HB3 . 34448 1 1369 . 2 . 1 34 34 GLU HG2 H 1 2.248 0.003 . . . . . . B 134 GLU HG2 . 34448 1 1370 . 2 . 1 34 34 GLU HG3 H 1 2.248 0.003 . . . . . . B 134 GLU HG3 . 34448 1 1371 . 2 . 1 34 34 GLU C C 13 177.265 0.008 . . . . . . B 134 GLU C . 34448 1 1372 . 2 . 1 34 34 GLU CA C 13 57.175 0.126 . . . . . . B 134 GLU CA . 34448 1 1373 . 2 . 1 34 34 GLU CB C 13 30.075 0.058 . . . . . . B 134 GLU CB . 34448 1 1374 . 2 . 1 34 34 GLU CG C 13 36.233 0.062 . . . . . . B 134 GLU CG . 34448 1 1375 . 2 . 1 34 34 GLU N N 15 123.820 0.003 . . . . . . B 134 GLU N . 34448 1 1376 . 2 . 1 35 35 GLY H H 1 8.620 0.002 . . . . . . B 135 GLY H . 34448 1 1377 . 2 . 1 35 35 GLY HA2 H 1 3.999 0.000 . . . . . . B 135 GLY HA2 . 34448 1 1378 . 2 . 1 35 35 GLY HA3 H 1 3.999 0.000 . . . . . . B 135 GLY HA3 . 34448 1 1379 . 2 . 1 35 35 GLY C C 13 174.960 0.000 . . . . . . B 135 GLY C . 34448 1 1380 . 2 . 1 35 35 GLY CA C 13 45.525 0.000 . . . . . . B 135 GLY CA . 34448 1 1381 . 2 . 1 35 35 GLY N N 15 111.154 0.021 . . . . . . B 135 GLY N . 34448 1 1382 . 2 . 1 37 37 GLY H H 1 8.357 0.002 . . . . . . B 137 GLY H . 34448 1 1383 . 2 . 1 37 37 GLY HA2 H 1 3.993 0.000 . . . . . . B 137 GLY HA2 . 34448 1 1384 . 2 . 1 37 37 GLY HA3 H 1 3.993 0.000 . . . . . . B 137 GLY HA3 . 34448 1 1385 . 2 . 1 37 37 GLY N N 15 108.819 0.006 . . . . . . B 137 GLY N . 34448 1 1386 . 2 . 1 38 38 SER H H 1 8.401 0.003 . . . . . . B 138 SER H . 34448 1 1387 . 2 . 1 38 38 SER HA H 1 4.516 0.000 . . . . . . B 138 SER HA . 34448 1 1388 . 2 . 1 38 38 SER N N 15 115.689 0.012 . . . . . . B 138 SER N . 34448 1 1389 . 2 . 1 39 39 GLY H H 1 8.562 0.009 . . . . . . B 139 GLY H . 34448 1 1390 . 2 . 1 39 39 GLY HA2 H 1 4.004 0.000 . . . . . . B 139 GLY HA2 . 34448 1 1391 . 2 . 1 39 39 GLY HA3 H 1 4.004 0.000 . . . . . . B 139 GLY HA3 . 34448 1 1392 . 2 . 1 39 39 GLY N N 15 110.982 0.001 . . . . . . B 139 GLY N . 34448 1 1393 . 2 . 1 40 40 GLY H H 1 8.299 0.002 . . . . . . B 140 GLY H . 34448 1 1394 . 2 . 1 40 40 GLY HA2 H 1 3.983 0.000 . . . . . . B 140 GLY HA2 . 34448 1 1395 . 2 . 1 40 40 GLY HA3 H 1 3.983 0.000 . . . . . . B 140 GLY HA3 . 34448 1 1396 . 2 . 1 40 40 GLY N N 15 108.621 0.006 . . . . . . B 140 GLY N . 34448 1 1397 . 2 . 1 46 46 SER H H 1 8.308 0.002 . . . . . . B 146 SER H . 34448 1 1398 . 2 . 1 46 46 SER HA H 1 4.427 0.013 . . . . . . B 146 SER HA . 34448 1 1399 . 2 . 1 46 46 SER HB2 H 1 3.764 0.002 . . . . . . B 146 SER HB2 . 34448 1 1400 . 2 . 1 46 46 SER HB3 H 1 3.764 0.002 . . . . . . B 146 SER HB3 . 34448 1 1401 . 2 . 1 46 46 SER C C 13 174.789 0.000 . . . . . . B 146 SER C . 34448 1 1402 . 2 . 1 46 46 SER CA C 13 58.513 0.093 . . . . . . B 146 SER CA . 34448 1 1403 . 2 . 1 46 46 SER CB C 13 63.883 0.060 . . . . . . B 146 SER CB . 34448 1 1404 . 2 . 1 46 46 SER N N 15 115.657 0.014 . . . . . . B 146 SER N . 34448 1 1405 . 2 . 1 47 47 MET H H 1 8.449 0.002 . . . . . . B 147 MET H . 34448 1 1406 . 2 . 1 47 47 MET HA H 1 4.478 0.003 . . . . . . B 147 MET HA . 34448 1 1407 . 2 . 1 47 47 MET HB2 H 1 1.995 0.004 . . . . . . B 147 MET HB2 . 34448 1 1408 . 2 . 1 47 47 MET HB3 H 1 2.094 0.004 . . . . . . B 147 MET HB3 . 34448 1 1409 . 2 . 1 47 47 MET HG2 H 1 2.585 0.009 . . . . . . B 147 MET HG2 . 34448 1 1410 . 2 . 1 47 47 MET HG3 H 1 2.510 0.003 . . . . . . B 147 MET HG3 . 34448 1 1411 . 2 . 1 47 47 MET HE1 H 1 2.081 0.000 . . . . . . B 147 MET HE1 . 34448 1 1412 . 2 . 1 47 47 MET HE2 H 1 2.081 0.000 . . . . . . B 147 MET HE2 . 34448 1 1413 . 2 . 1 47 47 MET HE3 H 1 2.081 0.000 . . . . . . B 147 MET HE3 . 34448 1 1414 . 2 . 1 47 47 MET C C 13 175.934 0.003 . . . . . . B 147 MET C . 34448 1 1415 . 2 . 1 47 47 MET CA C 13 55.690 0.095 . . . . . . B 147 MET CA . 34448 1 1416 . 2 . 1 47 47 MET CB C 13 32.670 0.052 . . . . . . B 147 MET CB . 34448 1 1417 . 2 . 1 47 47 MET CG C 13 32.052 0.011 . . . . . . B 147 MET CG . 34448 1 1418 . 2 . 1 47 47 MET CE C 13 16.952 0.000 . . . . . . B 147 MET CE . 34448 1 1419 . 2 . 1 47 47 MET N N 15 121.766 0.006 . . . . . . B 147 MET N . 34448 1 1420 . 2 . 1 48 48 ASN H H 1 8.378 0.002 . . . . . . B 148 ASN H . 34448 1 1421 . 2 . 1 48 48 ASN HA H 1 4.675 0.007 . . . . . . B 148 ASN HA . 34448 1 1422 . 2 . 1 48 48 ASN HB2 H 1 2.691 0.003 . . . . . . B 148 ASN HB2 . 34448 1 1423 . 2 . 1 48 48 ASN HB3 H 1 2.770 0.006 . . . . . . B 148 ASN HB3 . 34448 1 1424 . 2 . 1 48 48 ASN HD21 H 1 7.591 0.001 . . . . . . B 148 ASN HD21 . 34448 1 1425 . 2 . 1 48 48 ASN HD22 H 1 6.925 0.001 . . . . . . B 148 ASN HD22 . 34448 1 1426 . 2 . 1 48 48 ASN C C 13 174.645 0.002 . . . . . . B 148 ASN C . 34448 1 1427 . 2 . 1 48 48 ASN CA C 13 53.212 0.122 . . . . . . B 148 ASN CA . 34448 1 1428 . 2 . 1 48 48 ASN CB C 13 38.904 0.035 . . . . . . B 148 ASN CB . 34448 1 1429 . 2 . 1 48 48 ASN N N 15 119.711 0.002 . . . . . . B 148 ASN N . 34448 1 1430 . 2 . 1 48 48 ASN ND2 N 15 113.021 0.003 . . . . . . B 148 ASN ND2 . 34448 1 1431 . 2 . 1 49 49 LYS H H 1 8.241 0.002 . . . . . . B 149 LYS H . 34448 1 1432 . 2 . 1 49 49 LYS HA H 1 4.604 0.003 . . . . . . B 149 LYS HA . 34448 1 1433 . 2 . 1 49 49 LYS HB2 H 1 1.812 0.001 . . . . . . B 149 LYS HB2 . 34448 1 1434 . 2 . 1 49 49 LYS HB3 H 1 1.712 0.001 . . . . . . B 149 LYS HB3 . 34448 1 1435 . 2 . 1 49 49 LYS HG2 H 1 1.444 0.002 . . . . . . B 149 LYS HG2 . 34448 1 1436 . 2 . 1 49 49 LYS HG3 H 1 1.444 0.002 . . . . . . B 149 LYS HG3 . 34448 1 1437 . 2 . 1 49 49 LYS HD2 H 1 1.685 0.003 . . . . . . B 149 LYS HD2 . 34448 1 1438 . 2 . 1 49 49 LYS HD3 H 1 1.685 0.003 . . . . . . B 149 LYS HD3 . 34448 1 1439 . 2 . 1 49 49 LYS HE2 H 1 2.995 0.001 . . . . . . B 149 LYS HE2 . 34448 1 1440 . 2 . 1 49 49 LYS HE3 H 1 2.995 0.001 . . . . . . B 149 LYS HE3 . 34448 1 1441 . 2 . 1 49 49 LYS C C 13 174.429 0.000 . . . . . . B 149 LYS C . 34448 1 1442 . 2 . 1 49 49 LYS CA C 13 54.276 0.085 . . . . . . B 149 LYS CA . 34448 1 1443 . 2 . 1 49 49 LYS CB C 13 32.605 0.027 . . . . . . B 149 LYS CB . 34448 1 1444 . 2 . 1 49 49 LYS CG C 13 24.563 0.055 . . . . . . B 149 LYS CG . 34448 1 1445 . 2 . 1 49 49 LYS CD C 13 29.228 0.059 . . . . . . B 149 LYS CD . 34448 1 1446 . 2 . 1 49 49 LYS CE C 13 42.203 0.003 . . . . . . B 149 LYS CE . 34448 1 1447 . 2 . 1 49 49 LYS N N 15 122.854 0.003 . . . . . . B 149 LYS N . 34448 1 1448 . 2 . 1 50 50 PRO HA H 1 4.527 0.001 . . . . . . B 150 PRO HA . 34448 1 1449 . 2 . 1 50 50 PRO HB2 H 1 1.939 0.003 . . . . . . B 150 PRO HB2 . 34448 1 1450 . 2 . 1 50 50 PRO HB3 H 1 2.322 0.006 . . . . . . B 150 PRO HB3 . 34448 1 1451 . 2 . 1 50 50 PRO HG2 H 1 2.017 0.006 . . . . . . B 150 PRO HG2 . 34448 1 1452 . 2 . 1 50 50 PRO HG3 H 1 2.017 0.006 . . . . . . B 150 PRO HG3 . 34448 1 1453 . 2 . 1 50 50 PRO HD2 H 1 3.803 0.003 . . . . . . B 150 PRO HD2 . 34448 1 1454 . 2 . 1 50 50 PRO HD3 H 1 3.646 0.002 . . . . . . B 150 PRO HD3 . 34448 1 1455 . 2 . 1 50 50 PRO C C 13 177.207 0.003 . . . . . . B 150 PRO C . 34448 1 1456 . 2 . 1 50 50 PRO CA C 13 63.274 0.117 . . . . . . B 150 PRO CA . 34448 1 1457 . 2 . 1 50 50 PRO CB C 13 32.263 0.065 . . . . . . B 150 PRO CB . 34448 1 1458 . 2 . 1 50 50 PRO CG C 13 27.429 0.023 . . . . . . B 150 PRO CG . 34448 1 1459 . 2 . 1 50 50 PRO CD C 13 50.699 0.038 . . . . . . B 150 PRO CD . 34448 1 1460 . 2 . 1 51 51 THR H H 1 8.391 0.002 . . . . . . B 151 THR H . 34448 1 1461 . 2 . 1 51 51 THR HA H 1 4.393 0.003 . . . . . . B 151 THR HA . 34448 1 1462 . 2 . 1 51 51 THR HB H 1 4.282 0.004 . . . . . . B 151 THR HB . 34448 1 1463 . 2 . 1 51 51 THR HG21 H 1 1.238 0.001 . . . . . . B 151 THR HG21 . 34448 1 1464 . 2 . 1 51 51 THR HG22 H 1 1.238 0.001 . . . . . . B 151 THR HG22 . 34448 1 1465 . 2 . 1 51 51 THR HG23 H 1 1.238 0.001 . . . . . . B 151 THR HG23 . 34448 1 1466 . 2 . 1 51 51 THR C C 13 174.869 0.008 . . . . . . B 151 THR C . 34448 1 1467 . 2 . 1 51 51 THR CA C 13 61.833 0.146 . . . . . . B 151 THR CA . 34448 1 1468 . 2 . 1 51 51 THR CB C 13 70.289 0.166 . . . . . . B 151 THR CB . 34448 1 1469 . 2 . 1 51 51 THR CG2 C 13 21.677 0.000 . . . . . . B 151 THR CG2 . 34448 1 1470 . 2 . 1 51 51 THR N N 15 114.254 0.002 . . . . . . B 151 THR N . 34448 1 1471 . 2 . 1 52 52 SER H H 1 8.416 0.002 . . . . . . B 152 SER H . 34448 1 1472 . 2 . 1 52 52 SER HA H 1 4.526 0.003 . . . . . . B 152 SER HA . 34448 1 1473 . 2 . 1 52 52 SER HB2 H 1 3.880 0.009 . . . . . . B 152 SER HB2 . 34448 1 1474 . 2 . 1 52 52 SER HB3 H 1 3.880 0.009 . . . . . . B 152 SER HB3 . 34448 1 1475 . 2 . 1 52 52 SER C C 13 174.891 0.007 . . . . . . B 152 SER C . 34448 1 1476 . 2 . 1 52 52 SER CA C 13 58.500 0.112 . . . . . . B 152 SER CA . 34448 1 1477 . 2 . 1 52 52 SER CB C 13 64.028 0.074 . . . . . . B 152 SER CB . 34448 1 1478 . 2 . 1 52 52 SER N N 15 117.776 0.003 . . . . . . B 152 SER N . 34448 1 1479 . 2 . 1 53 53 SER H H 1 8.530 0.001 . . . . . . B 153 SER H . 34448 1 1480 . 2 . 1 53 53 SER HA H 1 4.521 0.007 . . . . . . B 153 SER HA . 34448 1 1481 . 2 . 1 53 53 SER HB2 H 1 3.892 0.003 . . . . . . B 153 SER HB2 . 34448 1 1482 . 2 . 1 53 53 SER HB3 H 1 3.892 0.003 . . . . . . B 153 SER HB3 . 34448 1 1483 . 2 . 1 53 53 SER C C 13 174.434 0.023 . . . . . . B 153 SER C . 34448 1 1484 . 2 . 1 53 53 SER CA C 13 58.898 0.131 . . . . . . B 153 SER CA . 34448 1 1485 . 2 . 1 53 53 SER CB C 13 63.845 0.117 . . . . . . B 153 SER CB . 34448 1 1486 . 2 . 1 53 53 SER N N 15 117.867 0.007 . . . . . . B 153 SER N . 34448 1 1487 . 2 . 1 54 54 ASP H H 1 8.320 0.001 . . . . . . B 154 ASP H . 34448 1 1488 . 2 . 1 54 54 ASP HA H 1 4.710 0.005 . . . . . . B 154 ASP HA . 34448 1 1489 . 2 . 1 54 54 ASP HB2 H 1 2.683 0.013 . . . . . . B 154 ASP HB2 . 34448 1 1490 . 2 . 1 54 54 ASP HB3 H 1 2.621 0.002 . . . . . . B 154 ASP HB3 . 34448 1 1491 . 2 . 1 54 54 ASP C C 13 176.919 0.014 . . . . . . B 154 ASP C . 34448 1 1492 . 2 . 1 54 54 ASP CA C 13 54.545 0.117 . . . . . . B 154 ASP CA . 34448 1 1493 . 2 . 1 54 54 ASP CB C 13 41.297 0.037 . . . . . . B 154 ASP CB . 34448 1 1494 . 2 . 1 54 54 ASP N N 15 121.713 0.012 . . . . . . B 154 ASP N . 34448 1 1495 . 2 . 1 55 55 GLY H H 1 8.411 0.002 . . . . . . B 155 GLY H . 34448 1 1496 . 2 . 1 55 55 GLY HA2 H 1 4.019 0.010 . . . . . . B 155 GLY HA2 . 34448 1 1497 . 2 . 1 55 55 GLY HA3 H 1 4.019 0.010 . . . . . . B 155 GLY HA3 . 34448 1 1498 . 2 . 1 55 55 GLY C C 13 174.988 0.016 . . . . . . B 155 GLY C . 34448 1 1499 . 2 . 1 55 55 GLY CA C 13 46.535 0.120 . . . . . . B 155 GLY CA . 34448 1 1500 . 2 . 1 55 55 GLY N N 15 109.535 0.008 . . . . . . B 155 GLY N . 34448 1 1501 . 2 . 1 56 56 TRP H H 1 8.042 0.002 . . . . . . B 156 TRP H . 34448 1 1502 . 2 . 1 56 56 TRP HA H 1 4.551 0.005 . . . . . . B 156 TRP HA . 34448 1 1503 . 2 . 1 56 56 TRP HB2 H 1 3.498 0.003 . . . . . . B 156 TRP HB2 . 34448 1 1504 . 2 . 1 56 56 TRP HB3 H 1 3.170 0.005 . . . . . . B 156 TRP HB3 . 34448 1 1505 . 2 . 1 56 56 TRP HD1 H 1 7.428 0.002 . . . . . . B 156 TRP HD1 . 34448 1 1506 . 2 . 1 56 56 TRP HE1 H 1 10.360 0.003 . . . . . . B 156 TRP HE1 . 34448 1 1507 . 2 . 1 56 56 TRP HE3 H 1 7.173 0.015 . . . . . . B 156 TRP HE3 . 34448 1 1508 . 2 . 1 56 56 TRP HZ2 H 1 7.137 0.002 . . . . . . B 156 TRP HZ2 . 34448 1 1509 . 2 . 1 56 56 TRP HZ3 H 1 6.140 0.010 . . . . . . B 156 TRP HZ3 . 34448 1 1510 . 2 . 1 56 56 TRP HH2 H 1 6.752 0.009 . . . . . . B 156 TRP HH2 . 34448 1 1511 . 2 . 1 56 56 TRP C C 13 177.651 0.008 . . . . . . B 156 TRP C . 34448 1 1512 . 2 . 1 56 56 TRP CA C 13 58.400 0.100 . . . . . . B 156 TRP CA . 34448 1 1513 . 2 . 1 56 56 TRP CB C 13 28.953 0.048 . . . . . . B 156 TRP CB . 34448 1 1514 . 2 . 1 56 56 TRP CD1 C 13 127.507 0.028 . . . . . . B 156 TRP CD1 . 34448 1 1515 . 2 . 1 56 56 TRP CE3 C 13 121.001 0.000 . . . . . . B 156 TRP CE3 . 34448 1 1516 . 2 . 1 56 56 TRP CZ2 C 13 114.218 0.011 . . . . . . B 156 TRP CZ2 . 34448 1 1517 . 2 . 1 56 56 TRP CZ3 C 13 120.844 0.091 . . . . . . B 156 TRP CZ3 . 34448 1 1518 . 2 . 1 56 56 TRP CH2 C 13 123.171 0.037 . . . . . . B 156 TRP CH2 . 34448 1 1519 . 2 . 1 56 56 TRP N N 15 119.982 0.009 . . . . . . B 156 TRP N . 34448 1 1520 . 2 . 1 56 56 TRP NE1 N 15 130.161 0.013 . . . . . . B 156 TRP NE1 . 34448 1 1521 . 2 . 1 57 57 LYS H H 1 7.256 0.002 . . . . . . B 157 LYS H . 34448 1 1522 . 2 . 1 57 57 LYS HA H 1 3.049 0.008 . . . . . . B 157 LYS HA . 34448 1 1523 . 2 . 1 57 57 LYS HB2 H 1 1.255 0.005 . . . . . . B 157 LYS HB2 . 34448 1 1524 . 2 . 1 57 57 LYS HB3 H 1 1.151 0.004 . . . . . . B 157 LYS HB3 . 34448 1 1525 . 2 . 1 57 57 LYS HG2 H 1 0.399 0.003 . . . . . . B 157 LYS HG2 . 34448 1 1526 . 2 . 1 57 57 LYS HG3 H 1 0.296 0.006 . . . . . . B 157 LYS HG3 . 34448 1 1527 . 2 . 1 57 57 LYS HD2 H 1 1.403 0.004 . . . . . . B 157 LYS HD2 . 34448 1 1528 . 2 . 1 57 57 LYS HD3 H 1 1.403 0.004 . . . . . . B 157 LYS HD3 . 34448 1 1529 . 2 . 1 57 57 LYS HE2 H 1 2.750 0.001 . . . . . . B 157 LYS HE2 . 34448 1 1530 . 2 . 1 57 57 LYS HE3 H 1 2.750 0.001 . . . . . . B 157 LYS HE3 . 34448 1 1531 . 2 . 1 57 57 LYS C C 13 177.411 0.003 . . . . . . B 157 LYS C . 34448 1 1532 . 2 . 1 57 57 LYS CA C 13 60.413 0.114 . . . . . . B 157 LYS CA . 34448 1 1533 . 2 . 1 57 57 LYS CB C 13 31.916 0.072 . . . . . . B 157 LYS CB . 34448 1 1534 . 2 . 1 57 57 LYS CG C 13 24.343 0.029 . . . . . . B 157 LYS CG . 34448 1 1535 . 2 . 1 57 57 LYS CD C 13 29.494 0.088 . . . . . . B 157 LYS CD . 34448 1 1536 . 2 . 1 57 57 LYS CE C 13 42.096 0.061 . . . . . . B 157 LYS CE . 34448 1 1537 . 2 . 1 57 57 LYS N N 15 122.806 0.007 . . . . . . B 157 LYS N . 34448 1 1538 . 2 . 1 58 58 ASP H H 1 7.752 0.002 . . . . . . B 158 ASP H . 34448 1 1539 . 2 . 1 58 58 ASP HA H 1 4.290 0.002 . . . . . . B 158 ASP HA . 34448 1 1540 . 2 . 1 58 58 ASP HB2 H 1 2.668 0.008 . . . . . . B 158 ASP HB2 . 34448 1 1541 . 2 . 1 58 58 ASP HB3 H 1 2.668 0.008 . . . . . . B 158 ASP HB3 . 34448 1 1542 . 2 . 1 58 58 ASP C C 13 179.105 0.006 . . . . . . B 158 ASP C . 34448 1 1543 . 2 . 1 58 58 ASP CA C 13 57.813 0.088 . . . . . . B 158 ASP CA . 34448 1 1544 . 2 . 1 58 58 ASP CB C 13 40.260 0.031 . . . . . . B 158 ASP CB . 34448 1 1545 . 2 . 1 58 58 ASP N N 15 118.461 0.009 . . . . . . B 158 ASP N . 34448 1 1546 . 2 . 1 59 59 ASP H H 1 8.083 0.002 . . . . . . B 159 ASP H . 34448 1 1547 . 2 . 1 59 59 ASP HA H 1 4.394 0.006 . . . . . . B 159 ASP HA . 34448 1 1548 . 2 . 1 59 59 ASP HB2 H 1 2.790 0.009 . . . . . . B 159 ASP HB2 . 34448 1 1549 . 2 . 1 59 59 ASP HB3 H 1 2.720 0.003 . . . . . . B 159 ASP HB3 . 34448 1 1550 . 2 . 1 59 59 ASP C C 13 177.919 0.004 . . . . . . B 159 ASP C . 34448 1 1551 . 2 . 1 59 59 ASP CA C 13 57.335 0.158 . . . . . . B 159 ASP CA . 34448 1 1552 . 2 . 1 59 59 ASP CB C 13 41.561 0.041 . . . . . . B 159 ASP CB . 34448 1 1553 . 2 . 1 59 59 ASP N N 15 120.360 0.011 . . . . . . B 159 ASP N . 34448 1 1554 . 2 . 1 60 60 TYR H H 1 8.182 0.005 . . . . . . B 160 TYR H . 34448 1 1555 . 2 . 1 60 60 TYR HA H 1 3.964 0.003 . . . . . . B 160 TYR HA . 34448 1 1556 . 2 . 1 60 60 TYR HB2 H 1 2.961 0.009 . . . . . . B 160 TYR HB2 . 34448 1 1557 . 2 . 1 60 60 TYR HB3 H 1 3.304 0.003 . . . . . . B 160 TYR HB3 . 34448 1 1558 . 2 . 1 60 60 TYR HD1 H 1 7.050 0.003 . . . . . . B 160 TYR HD1 . 34448 1 1559 . 2 . 1 60 60 TYR HD2 H 1 7.050 0.003 . . . . . . B 160 TYR HD2 . 34448 1 1560 . 2 . 1 60 60 TYR HE1 H 1 6.694 0.002 . . . . . . B 160 TYR HE1 . 34448 1 1561 . 2 . 1 60 60 TYR HE2 H 1 6.694 0.002 . . . . . . B 160 TYR HE2 . 34448 1 1562 . 2 . 1 60 60 TYR C C 13 178.407 0.000 . . . . . . B 160 TYR C . 34448 1 1563 . 2 . 1 60 60 TYR CA C 13 62.870 0.120 . . . . . . B 160 TYR CA . 34448 1 1564 . 2 . 1 60 60 TYR CB C 13 40.319 0.041 . . . . . . B 160 TYR CB . 34448 1 1565 . 2 . 1 60 60 TYR CD1 C 13 132.985 0.032 . . . . . . B 160 TYR CD1 . 34448 1 1566 . 2 . 1 60 60 TYR CE1 C 13 117.703 0.029 . . . . . . B 160 TYR CE1 . 34448 1 1567 . 2 . 1 60 60 TYR N N 15 122.423 0.000 . . . . . . B 160 TYR N . 34448 1 1568 . 2 . 1 61 61 LEU H H 1 8.862 0.004 . . . . . . B 161 LEU H . 34448 1 1569 . 2 . 1 61 61 LEU HA H 1 3.972 0.004 . . . . . . B 161 LEU HA . 34448 1 1570 . 2 . 1 61 61 LEU HB2 H 1 1.959 0.005 . . . . . . B 161 LEU HB2 . 34448 1 1571 . 2 . 1 61 61 LEU HB3 H 1 1.470 0.004 . . . . . . B 161 LEU HB3 . 34448 1 1572 . 2 . 1 61 61 LEU HG H 1 1.792 0.002 . . . . . . B 161 LEU HG . 34448 1 1573 . 2 . 1 61 61 LEU HD11 H 1 0.940 0.003 . . . . . . B 161 LEU HD11 . 34448 1 1574 . 2 . 1 61 61 LEU HD12 H 1 0.940 0.003 . . . . . . B 161 LEU HD12 . 34448 1 1575 . 2 . 1 61 61 LEU HD13 H 1 0.940 0.003 . . . . . . B 161 LEU HD13 . 34448 1 1576 . 2 . 1 61 61 LEU HD21 H 1 0.967 0.002 . . . . . . B 161 LEU HD21 . 34448 1 1577 . 2 . 1 61 61 LEU HD22 H 1 0.967 0.002 . . . . . . B 161 LEU HD22 . 34448 1 1578 . 2 . 1 61 61 LEU HD23 H 1 0.967 0.002 . . . . . . B 161 LEU HD23 . 34448 1 1579 . 2 . 1 61 61 LEU C C 13 178.861 0.000 . . . . . . B 161 LEU C . 34448 1 1580 . 2 . 1 61 61 LEU CA C 13 58.141 0.030 . . . . . . B 161 LEU CA . 34448 1 1581 . 2 . 1 61 61 LEU CB C 13 42.296 0.088 . . . . . . B 161 LEU CB . 34448 1 1582 . 2 . 1 61 61 LEU CG C 13 27.573 0.040 . . . . . . B 161 LEU CG . 34448 1 1583 . 2 . 1 61 61 LEU CD1 C 13 25.034 0.052 . . . . . . B 161 LEU CD1 . 34448 1 1584 . 2 . 1 61 61 LEU CD2 C 13 25.630 0.031 . . . . . . B 161 LEU CD2 . 34448 1 1585 . 2 . 1 61 61 LEU N N 15 117.087 0.033 . . . . . . B 161 LEU N . 34448 1 1586 . 2 . 1 62 62 SER H H 1 7.938 0.003 . . . . . . B 162 SER H . 34448 1 1587 . 2 . 1 62 62 SER HA H 1 4.108 0.002 . . . . . . B 162 SER HA . 34448 1 1588 . 2 . 1 62 62 SER HB2 H 1 4.018 0.005 . . . . . . B 162 SER HB2 . 34448 1 1589 . 2 . 1 62 62 SER HB3 H 1 4.018 0.005 . . . . . . B 162 SER HB3 . 34448 1 1590 . 2 . 1 62 62 SER C C 13 177.850 0.000 . . . . . . B 162 SER C . 34448 1 1591 . 2 . 1 62 62 SER CA C 13 61.724 0.141 . . . . . . B 162 SER CA . 34448 1 1592 . 2 . 1 62 62 SER CB C 13 62.899 0.087 . . . . . . B 162 SER CB . 34448 1 1593 . 2 . 1 62 62 SER N N 15 114.102 0.016 . . . . . . B 162 SER N . 34448 1 1594 . 2 . 1 63 63 ARG H H 1 7.570 0.003 . . . . . . B 163 ARG H . 34448 1 1595 . 2 . 1 63 63 ARG HA H 1 3.997 0.008 . . . . . . B 163 ARG HA . 34448 1 1596 . 2 . 1 63 63 ARG HB2 H 1 1.920 0.007 . . . . . . B 163 ARG HB2 . 34448 1 1597 . 2 . 1 63 63 ARG HB3 H 1 1.808 0.006 . . . . . . B 163 ARG HB3 . 34448 1 1598 . 2 . 1 63 63 ARG HG2 H 1 1.647 0.006 . . . . . . B 163 ARG HG2 . 34448 1 1599 . 2 . 1 63 63 ARG HG3 H 1 1.857 0.000 . . . . . . B 163 ARG HG3 . 34448 1 1600 . 2 . 1 63 63 ARG HD2 H 1 3.233 0.005 . . . . . . B 163 ARG HD2 . 34448 1 1601 . 2 . 1 63 63 ARG HD3 H 1 2.946 0.001 . . . . . . B 163 ARG HD3 . 34448 1 1602 . 2 . 1 63 63 ARG HE H 1 7.344 0.000 . . . . . . B 163 ARG HE . 34448 1 1603 . 2 . 1 63 63 ARG C C 13 180.478 0.003 . . . . . . B 163 ARG C . 34448 1 1604 . 2 . 1 63 63 ARG CA C 13 59.174 0.080 . . . . . . B 163 ARG CA . 34448 1 1605 . 2 . 1 63 63 ARG CB C 13 31.622 0.054 . . . . . . B 163 ARG CB . 34448 1 1606 . 2 . 1 63 63 ARG CG C 13 26.953 0.069 . . . . . . B 163 ARG CG . 34448 1 1607 . 2 . 1 63 63 ARG CD C 13 44.273 0.079 . . . . . . B 163 ARG CD . 34448 1 1608 . 2 . 1 63 63 ARG N N 15 120.783 0.014 . . . . . . B 163 ARG N . 34448 1 1609 . 2 . 1 63 63 ARG NE N 15 85.030 0.000 . . . . . . B 163 ARG NE . 34448 1 1610 . 2 . 1 64 64 LEU H H 1 8.676 0.003 . . . . . . B 164 LEU H . 34448 1 1611 . 2 . 1 64 64 LEU HA H 1 3.805 0.004 . . . . . . B 164 LEU HA . 34448 1 1612 . 2 . 1 64 64 LEU HB2 H 1 2.145 0.015 . . . . . . B 164 LEU HB2 . 34448 1 1613 . 2 . 1 64 64 LEU HB3 H 1 1.201 0.003 . . . . . . B 164 LEU HB3 . 34448 1 1614 . 2 . 1 64 64 LEU HG H 1 1.820 0.008 . . . . . . B 164 LEU HG . 34448 1 1615 . 2 . 1 64 64 LEU HD11 H 1 0.575 0.005 . . . . . . B 164 LEU HD11 . 34448 1 1616 . 2 . 1 64 64 LEU HD12 H 1 0.575 0.005 . . . . . . B 164 LEU HD12 . 34448 1 1617 . 2 . 1 64 64 LEU HD13 H 1 0.575 0.005 . . . . . . B 164 LEU HD13 . 34448 1 1618 . 2 . 1 64 64 LEU HD21 H 1 0.925 0.008 . . . . . . B 164 LEU HD21 . 34448 1 1619 . 2 . 1 64 64 LEU HD22 H 1 0.925 0.008 . . . . . . B 164 LEU HD22 . 34448 1 1620 . 2 . 1 64 64 LEU HD23 H 1 0.925 0.008 . . . . . . B 164 LEU HD23 . 34448 1 1621 . 2 . 1 64 64 LEU C C 13 179.130 0.007 . . . . . . B 164 LEU C . 34448 1 1622 . 2 . 1 64 64 LEU CA C 13 57.946 0.064 . . . . . . B 164 LEU CA . 34448 1 1623 . 2 . 1 64 64 LEU CB C 13 42.178 0.134 . . . . . . B 164 LEU CB . 34448 1 1624 . 2 . 1 64 64 LEU CG C 13 25.782 0.125 . . . . . . B 164 LEU CG . 34448 1 1625 . 2 . 1 64 64 LEU CD1 C 13 24.050 0.049 . . . . . . B 164 LEU CD1 . 34448 1 1626 . 2 . 1 64 64 LEU CD2 C 13 27.428 0.067 . . . . . . B 164 LEU CD2 . 34448 1 1627 . 2 . 1 64 64 LEU N N 15 120.900 0.003 . . . . . . B 164 LEU N . 34448 1 1628 . 2 . 1 65 65 SER H H 1 8.025 0.002 . . . . . . B 165 SER H . 34448 1 1629 . 2 . 1 65 65 SER HA H 1 4.358 0.018 . . . . . . B 165 SER HA . 34448 1 1630 . 2 . 1 65 65 SER HB2 H 1 4.083 0.002 . . . . . . B 165 SER HB2 . 34448 1 1631 . 2 . 1 65 65 SER HB3 H 1 3.979 0.001 . . . . . . B 165 SER HB3 . 34448 1 1632 . 2 . 1 65 65 SER C C 13 175.924 0.000 . . . . . . B 165 SER C . 34448 1 1633 . 2 . 1 65 65 SER CA C 13 61.166 0.126 . . . . . . B 165 SER CA . 34448 1 1634 . 2 . 1 65 65 SER CB C 13 63.528 0.034 . . . . . . B 165 SER CB . 34448 1 1635 . 2 . 1 65 65 SER N N 15 110.678 0.010 . . . . . . B 165 SER N . 34448 1 1636 . 2 . 1 66 66 ARG H H 1 7.121 0.002 . . . . . . B 166 ARG H . 34448 1 1637 . 2 . 1 66 66 ARG HA H 1 4.395 0.004 . . . . . . B 166 ARG HA . 34448 1 1638 . 2 . 1 66 66 ARG HB2 H 1 1.693 0.012 . . . . . . B 166 ARG HB2 . 34448 1 1639 . 2 . 1 66 66 ARG HB3 H 1 2.125 0.003 . . . . . . B 166 ARG HB3 . 34448 1 1640 . 2 . 1 66 66 ARG HG2 H 1 1.835 0.008 . . . . . . B 166 ARG HG2 . 34448 1 1641 . 2 . 1 66 66 ARG HG3 H 1 1.655 0.014 . . . . . . B 166 ARG HG3 . 34448 1 1642 . 2 . 1 66 66 ARG HD2 H 1 3.252 0.003 . . . . . . B 166 ARG HD2 . 34448 1 1643 . 2 . 1 66 66 ARG HD3 H 1 3.205 0.000 . . . . . . B 166 ARG HD3 . 34448 1 1644 . 2 . 1 66 66 ARG HE H 1 7.213 0.002 . . . . . . B 166 ARG HE . 34448 1 1645 . 2 . 1 66 66 ARG C C 13 176.662 0.010 . . . . . . B 166 ARG C . 34448 1 1646 . 2 . 1 66 66 ARG CA C 13 55.991 0.088 . . . . . . B 166 ARG CA . 34448 1 1647 . 2 . 1 66 66 ARG CB C 13 30.881 0.106 . . . . . . B 166 ARG CB . 34448 1 1648 . 2 . 1 66 66 ARG CG C 13 27.694 0.114 . . . . . . B 166 ARG CG . 34448 1 1649 . 2 . 1 66 66 ARG CD C 13 43.524 0.062 . . . . . . B 166 ARG CD . 34448 1 1650 . 2 . 1 66 66 ARG N N 15 119.628 0.006 . . . . . . B 166 ARG N . 34448 1 1651 . 2 . 1 66 66 ARG NE N 15 84.849 0.018 . . . . . . B 166 ARG NE . 34448 1 1652 . 2 . 1 67 67 LEU H H 1 7.498 0.004 . . . . . . B 167 LEU H . 34448 1 1653 . 2 . 1 67 67 LEU HA H 1 4.488 0.005 . . . . . . B 167 LEU HA . 34448 1 1654 . 2 . 1 67 67 LEU HB2 H 1 1.502 0.001 . . . . . . B 167 LEU HB2 . 34448 1 1655 . 2 . 1 67 67 LEU HB3 H 1 2.022 0.013 . . . . . . B 167 LEU HB3 . 34448 1 1656 . 2 . 1 67 67 LEU HG H 1 2.090 0.003 . . . . . . B 167 LEU HG . 34448 1 1657 . 2 . 1 67 67 LEU HD11 H 1 0.739 0.008 . . . . . . B 167 LEU HD11 . 34448 1 1658 . 2 . 1 67 67 LEU HD12 H 1 0.739 0.008 . . . . . . B 167 LEU HD12 . 34448 1 1659 . 2 . 1 67 67 LEU HD13 H 1 0.739 0.008 . . . . . . B 167 LEU HD13 . 34448 1 1660 . 2 . 1 67 67 LEU HD21 H 1 0.734 0.002 . . . . . . B 167 LEU HD21 . 34448 1 1661 . 2 . 1 67 67 LEU HD22 H 1 0.734 0.002 . . . . . . B 167 LEU HD22 . 34448 1 1662 . 2 . 1 67 67 LEU HD23 H 1 0.734 0.002 . . . . . . B 167 LEU HD23 . 34448 1 1663 . 2 . 1 67 67 LEU C C 13 176.986 0.006 . . . . . . B 167 LEU C . 34448 1 1664 . 2 . 1 67 67 LEU CA C 13 54.230 0.071 . . . . . . B 167 LEU CA . 34448 1 1665 . 2 . 1 67 67 LEU CB C 13 42.207 0.077 . . . . . . B 167 LEU CB . 34448 1 1666 . 2 . 1 67 67 LEU CG C 13 26.146 0.088 . . . . . . B 167 LEU CG . 34448 1 1667 . 2 . 1 67 67 LEU CD1 C 13 22.579 0.058 . . . . . . B 167 LEU CD1 . 34448 1 1668 . 2 . 1 67 67 LEU CD2 C 13 26.372 0.094 . . . . . . B 167 LEU CD2 . 34448 1 1669 . 2 . 1 67 67 LEU N N 15 120.173 0.003 . . . . . . B 167 LEU N . 34448 1 1670 . 2 . 1 68 68 SER H H 1 9.213 0.002 . . . . . . B 168 SER H . 34448 1 1671 . 2 . 1 68 68 SER HA H 1 4.537 0.005 . . . . . . B 168 SER HA . 34448 1 1672 . 2 . 1 68 68 SER HB2 H 1 4.058 0.002 . . . . . . B 168 SER HB2 . 34448 1 1673 . 2 . 1 68 68 SER HB3 H 1 4.491 0.011 . . . . . . B 168 SER HB3 . 34448 1 1674 . 2 . 1 68 68 SER C C 13 175.379 0.003 . . . . . . B 168 SER C . 34448 1 1675 . 2 . 1 68 68 SER CA C 13 56.588 0.124 . . . . . . B 168 SER CA . 34448 1 1676 . 2 . 1 68 68 SER CB C 13 65.692 0.057 . . . . . . B 168 SER CB . 34448 1 1677 . 2 . 1 68 68 SER N N 15 116.230 0.012 . . . . . . B 168 SER N . 34448 1 1678 . 2 . 1 69 69 LYS H H 1 9.050 0.001 . . . . . . B 169 LYS H . 34448 1 1679 . 2 . 1 69 69 LYS HA H 1 3.896 0.007 . . . . . . B 169 LYS HA . 34448 1 1680 . 2 . 1 69 69 LYS HB2 H 1 1.781 0.015 . . . . . . B 169 LYS HB2 . 34448 1 1681 . 2 . 1 69 69 LYS HB3 H 1 1.826 0.002 . . . . . . B 169 LYS HB3 . 34448 1 1682 . 2 . 1 69 69 LYS HG2 H 1 1.195 0.004 . . . . . . B 169 LYS HG2 . 34448 1 1683 . 2 . 1 69 69 LYS HG3 H 1 1.402 0.007 . . . . . . B 169 LYS HG3 . 34448 1 1684 . 2 . 1 69 69 LYS HD2 H 1 1.664 0.002 . . . . . . B 169 LYS HD2 . 34448 1 1685 . 2 . 1 69 69 LYS HD3 H 1 1.713 0.001 . . . . . . B 169 LYS HD3 . 34448 1 1686 . 2 . 1 69 69 LYS HE2 H 1 3.014 0.009 . . . . . . B 169 LYS HE2 . 34448 1 1687 . 2 . 1 69 69 LYS HE3 H 1 3.014 0.009 . . . . . . B 169 LYS HE3 . 34448 1 1688 . 2 . 1 69 69 LYS C C 13 178.050 0.018 . . . . . . B 169 LYS C . 34448 1 1689 . 2 . 1 69 69 LYS CA C 13 61.756 0.156 . . . . . . B 169 LYS CA . 34448 1 1690 . 2 . 1 69 69 LYS CB C 13 31.708 0.103 . . . . . . B 169 LYS CB . 34448 1 1691 . 2 . 1 69 69 LYS CG C 13 26.345 0.067 . . . . . . B 169 LYS CG . 34448 1 1692 . 2 . 1 69 69 LYS CD C 13 30.063 0.111 . . . . . . B 169 LYS CD . 34448 1 1693 . 2 . 1 69 69 LYS CE C 13 42.470 0.061 . . . . . . B 169 LYS CE . 34448 1 1694 . 2 . 1 69 69 LYS N N 15 121.056 0.004 . . . . . . B 169 LYS N . 34448 1 1695 . 2 . 1 70 70 ASN H H 1 8.578 0.003 . . . . . . B 170 ASN H . 34448 1 1696 . 2 . 1 70 70 ASN HA H 1 4.512 0.007 . . . . . . B 170 ASN HA . 34448 1 1697 . 2 . 1 70 70 ASN HB2 H 1 2.369 0.003 . . . . . . B 170 ASN HB2 . 34448 1 1698 . 2 . 1 70 70 ASN HB3 H 1 2.662 0.007 . . . . . . B 170 ASN HB3 . 34448 1 1699 . 2 . 1 70 70 ASN HD21 H 1 7.405 0.003 . . . . . . B 170 ASN HD21 . 34448 1 1700 . 2 . 1 70 70 ASN HD22 H 1 6.761 0.001 . . . . . . B 170 ASN HD22 . 34448 1 1701 . 2 . 1 70 70 ASN C C 13 177.932 0.021 . . . . . . B 170 ASN C . 34448 1 1702 . 2 . 1 70 70 ASN CA C 13 56.236 0.085 . . . . . . B 170 ASN CA . 34448 1 1703 . 2 . 1 70 70 ASN CB C 13 38.753 0.057 . . . . . . B 170 ASN CB . 34448 1 1704 . 2 . 1 70 70 ASN N N 15 116.482 0.000 . . . . . . B 170 ASN N . 34448 1 1705 . 2 . 1 70 70 ASN ND2 N 15 111.971 0.001 . . . . . . B 170 ASN ND2 . 34448 1 1706 . 2 . 1 71 71 GLN H H 1 7.936 0.004 . . . . . . B 171 GLN H . 34448 1 1707 . 2 . 1 71 71 GLN HA H 1 3.755 0.004 . . . . . . B 171 GLN HA . 34448 1 1708 . 2 . 1 71 71 GLN HB2 H 1 1.763 0.004 . . . . . . B 171 GLN HB2 . 34448 1 1709 . 2 . 1 71 71 GLN HB3 H 1 2.630 0.014 . . . . . . B 171 GLN HB3 . 34448 1 1710 . 2 . 1 71 71 GLN HG2 H 1 2.195 0.007 . . . . . . B 171 GLN HG2 . 34448 1 1711 . 2 . 1 71 71 GLN HG3 H 1 2.481 0.003 . . . . . . B 171 GLN HG3 . 34448 1 1712 . 2 . 1 71 71 GLN HE21 H 1 7.593 0.004 . . . . . . B 171 GLN HE21 . 34448 1 1713 . 2 . 1 71 71 GLN HE22 H 1 7.318 0.002 . . . . . . B 171 GLN HE22 . 34448 1 1714 . 2 . 1 71 71 GLN C C 13 177.934 0.003 . . . . . . B 171 GLN C . 34448 1 1715 . 2 . 1 71 71 GLN CA C 13 59.694 0.062 . . . . . . B 171 GLN CA . 34448 1 1716 . 2 . 1 71 71 GLN CB C 13 30.780 0.066 . . . . . . B 171 GLN CB . 34448 1 1717 . 2 . 1 71 71 GLN CG C 13 36.691 0.060 . . . . . . B 171 GLN CG . 34448 1 1718 . 2 . 1 71 71 GLN N N 15 118.295 0.008 . . . . . . B 171 GLN N . 34448 1 1719 . 2 . 1 71 71 GLN NE2 N 15 115.053 0.004 . . . . . . B 171 GLN NE2 . 34448 1 1720 . 2 . 1 72 72 LEU H H 1 8.689 0.012 . . . . . . B 172 LEU H . 34448 1 1721 . 2 . 1 72 72 LEU HA H 1 3.917 0.009 . . . . . . B 172 LEU HA . 34448 1 1722 . 2 . 1 72 72 LEU HB2 H 1 1.371 0.009 . . . . . . B 172 LEU HB2 . 34448 1 1723 . 2 . 1 72 72 LEU HB3 H 1 2.074 0.008 . . . . . . B 172 LEU HB3 . 34448 1 1724 . 2 . 1 72 72 LEU HG H 1 1.755 0.000 . . . . . . B 172 LEU HG . 34448 1 1725 . 2 . 1 72 72 LEU HD11 H 1 0.868 0.011 . . . . . . B 172 LEU HD11 . 34448 1 1726 . 2 . 1 72 72 LEU HD12 H 1 0.868 0.011 . . . . . . B 172 LEU HD12 . 34448 1 1727 . 2 . 1 72 72 LEU HD13 H 1 0.868 0.011 . . . . . . B 172 LEU HD13 . 34448 1 1728 . 2 . 1 72 72 LEU HD21 H 1 0.856 0.004 . . . . . . B 172 LEU HD21 . 34448 1 1729 . 2 . 1 72 72 LEU HD22 H 1 0.856 0.004 . . . . . . B 172 LEU HD22 . 34448 1 1730 . 2 . 1 72 72 LEU HD23 H 1 0.856 0.004 . . . . . . B 172 LEU HD23 . 34448 1 1731 . 2 . 1 72 72 LEU C C 13 179.406 0.006 . . . . . . B 172 LEU C . 34448 1 1732 . 2 . 1 72 72 LEU CA C 13 58.364 0.108 . . . . . . B 172 LEU CA . 34448 1 1733 . 2 . 1 72 72 LEU CB C 13 43.537 0.102 . . . . . . B 172 LEU CB . 34448 1 1734 . 2 . 1 72 72 LEU CD1 C 13 25.038 0.073 . . . . . . B 172 LEU CD1 . 34448 1 1735 . 2 . 1 72 72 LEU CD2 C 13 26.579 0.086 . . . . . . B 172 LEU CD2 . 34448 1 1736 . 2 . 1 72 72 LEU N N 15 119.869 0.042 . . . . . . B 172 LEU N . 34448 1 1737 . 2 . 1 73 73 MET H H 1 8.653 0.001 . . . . . . B 173 MET H . 34448 1 1738 . 2 . 1 73 73 MET HA H 1 3.928 0.004 . . . . . . B 173 MET HA . 34448 1 1739 . 2 . 1 73 73 MET HB2 H 1 1.805 0.004 . . . . . . B 173 MET HB2 . 34448 1 1740 . 2 . 1 73 73 MET HB3 H 1 2.484 0.008 . . . . . . B 173 MET HB3 . 34448 1 1741 . 2 . 1 73 73 MET HG2 H 1 2.903 0.002 . . . . . . B 173 MET HG2 . 34448 1 1742 . 2 . 1 73 73 MET HG3 H 1 2.092 0.003 . . . . . . B 173 MET HG3 . 34448 1 1743 . 2 . 1 73 73 MET HE1 H 1 2.122 0.007 . . . . . . B 173 MET HE1 . 34448 1 1744 . 2 . 1 73 73 MET HE2 H 1 2.122 0.007 . . . . . . B 173 MET HE2 . 34448 1 1745 . 2 . 1 73 73 MET HE3 H 1 2.122 0.007 . . . . . . B 173 MET HE3 . 34448 1 1746 . 2 . 1 73 73 MET C C 13 177.108 0.004 . . . . . . B 173 MET C . 34448 1 1747 . 2 . 1 73 73 MET CA C 13 60.699 0.120 . . . . . . B 173 MET CA . 34448 1 1748 . 2 . 1 73 73 MET CB C 13 34.653 0.058 . . . . . . B 173 MET CB . 34448 1 1749 . 2 . 1 73 73 MET CG C 13 32.263 0.033 . . . . . . B 173 MET CG . 34448 1 1750 . 2 . 1 73 73 MET CE C 13 16.483 0.000 . . . . . . B 173 MET CE . 34448 1 1751 . 2 . 1 73 73 MET N N 15 118.903 0.001 . . . . . . B 173 MET N . 34448 1 1752 . 2 . 1 74 74 ALA H H 1 7.920 0.003 . . . . . . B 174 ALA H . 34448 1 1753 . 2 . 1 74 74 ALA HA H 1 3.906 0.002 . . . . . . B 174 ALA HA . 34448 1 1754 . 2 . 1 74 74 ALA HB1 H 1 1.424 0.007 . . . . . . B 174 ALA HB1 . 34448 1 1755 . 2 . 1 74 74 ALA HB2 H 1 1.424 0.007 . . . . . . B 174 ALA HB2 . 34448 1 1756 . 2 . 1 74 74 ALA HB3 H 1 1.424 0.007 . . . . . . B 174 ALA HB3 . 34448 1 1757 . 2 . 1 74 74 ALA C C 13 179.302 0.009 . . . . . . B 174 ALA C . 34448 1 1758 . 2 . 1 74 74 ALA CA C 13 55.246 0.106 . . . . . . B 174 ALA CA . 34448 1 1759 . 2 . 1 74 74 ALA CB C 13 18.561 0.061 . . . . . . B 174 ALA CB . 34448 1 1760 . 2 . 1 74 74 ALA N N 15 119.392 0.001 . . . . . . B 174 ALA N . 34448 1 1761 . 2 . 1 75 75 LEU H H 1 8.606 0.003 . . . . . . B 175 LEU H . 34448 1 1762 . 2 . 1 75 75 LEU HA H 1 3.947 0.004 . . . . . . B 175 LEU HA . 34448 1 1763 . 2 . 1 75 75 LEU HB2 H 1 1.572 0.008 . . . . . . B 175 LEU HB2 . 34448 1 1764 . 2 . 1 75 75 LEU HB3 H 1 1.572 0.008 . . . . . . B 175 LEU HB3 . 34448 1 1765 . 2 . 1 75 75 LEU HG H 1 1.463 0.011 . . . . . . B 175 LEU HG . 34448 1 1766 . 2 . 1 75 75 LEU HD11 H 1 0.436 0.004 . . . . . . B 175 LEU HD11 . 34448 1 1767 . 2 . 1 75 75 LEU HD12 H 1 0.436 0.004 . . . . . . B 175 LEU HD12 . 34448 1 1768 . 2 . 1 75 75 LEU HD13 H 1 0.436 0.004 . . . . . . B 175 LEU HD13 . 34448 1 1769 . 2 . 1 75 75 LEU HD21 H 1 0.641 0.004 . . . . . . B 175 LEU HD21 . 34448 1 1770 . 2 . 1 75 75 LEU HD22 H 1 0.641 0.004 . . . . . . B 175 LEU HD22 . 34448 1 1771 . 2 . 1 75 75 LEU HD23 H 1 0.641 0.004 . . . . . . B 175 LEU HD23 . 34448 1 1772 . 2 . 1 75 75 LEU C C 13 177.476 0.032 . . . . . . B 175 LEU C . 34448 1 1773 . 2 . 1 75 75 LEU CA C 13 57.995 0.085 . . . . . . B 175 LEU CA . 34448 1 1774 . 2 . 1 75 75 LEU CB C 13 42.158 0.116 . . . . . . B 175 LEU CB . 34448 1 1775 . 2 . 1 75 75 LEU CG C 13 27.265 0.072 . . . . . . B 175 LEU CG . 34448 1 1776 . 2 . 1 75 75 LEU CD1 C 13 25.265 0.043 . . . . . . B 175 LEU CD1 . 34448 1 1777 . 2 . 1 75 75 LEU CD2 C 13 24.826 0.002 . . . . . . B 175 LEU CD2 . 34448 1 1778 . 2 . 1 75 75 LEU N N 15 119.692 0.097 . . . . . . B 175 LEU N . 34448 1 1779 . 2 . 1 76 76 ALA H H 1 8.292 0.005 . . . . . . B 176 ALA H . 34448 1 1780 . 2 . 1 76 76 ALA HA H 1 3.959 0.007 . . . . . . B 176 ALA HA . 34448 1 1781 . 2 . 1 76 76 ALA HB1 H 1 1.576 0.003 . . . . . . B 176 ALA HB1 . 34448 1 1782 . 2 . 1 76 76 ALA HB2 H 1 1.576 0.003 . . . . . . B 176 ALA HB2 . 34448 1 1783 . 2 . 1 76 76 ALA HB3 H 1 1.576 0.003 . . . . . . B 176 ALA HB3 . 34448 1 1784 . 2 . 1 76 76 ALA C C 13 179.055 0.009 . . . . . . B 176 ALA C . 34448 1 1785 . 2 . 1 76 76 ALA CA C 13 55.945 0.082 . . . . . . B 176 ALA CA . 34448 1 1786 . 2 . 1 76 76 ALA CB C 13 17.954 0.077 . . . . . . B 176 ALA CB . 34448 1 1787 . 2 . 1 76 76 ALA N N 15 120.747 0.000 . . . . . . B 176 ALA N . 34448 1 1788 . 2 . 1 77 77 LEU H H 1 8.070 0.002 . . . . . . B 177 LEU H . 34448 1 1789 . 2 . 1 77 77 LEU HA H 1 4.115 0.005 . . . . . . B 177 LEU HA . 34448 1 1790 . 2 . 1 77 77 LEU HB2 H 1 1.894 0.002 . . . . . . B 177 LEU HB2 . 34448 1 1791 . 2 . 1 77 77 LEU HB3 H 1 1.676 0.011 . . . . . . B 177 LEU HB3 . 34448 1 1792 . 2 . 1 77 77 LEU HG H 1 1.723 0.001 . . . . . . B 177 LEU HG . 34448 1 1793 . 2 . 1 77 77 LEU HD11 H 1 0.892 0.001 . . . . . . B 177 LEU HD11 . 34448 1 1794 . 2 . 1 77 77 LEU HD12 H 1 0.892 0.001 . . . . . . B 177 LEU HD12 . 34448 1 1795 . 2 . 1 77 77 LEU HD13 H 1 0.892 0.001 . . . . . . B 177 LEU HD13 . 34448 1 1796 . 2 . 1 77 77 LEU HD21 H 1 0.889 0.002 . . . . . . B 177 LEU HD21 . 34448 1 1797 . 2 . 1 77 77 LEU HD22 H 1 0.889 0.002 . . . . . . B 177 LEU HD22 . 34448 1 1798 . 2 . 1 77 77 LEU HD23 H 1 0.889 0.002 . . . . . . B 177 LEU HD23 . 34448 1 1799 . 2 . 1 77 77 LEU C C 13 178.455 0.017 . . . . . . B 177 LEU C . 34448 1 1800 . 2 . 1 77 77 LEU CA C 13 58.631 0.085 . . . . . . B 177 LEU CA . 34448 1 1801 . 2 . 1 77 77 LEU CB C 13 42.370 0.060 . . . . . . B 177 LEU CB . 34448 1 1802 . 2 . 1 77 77 LEU CG C 13 26.648 0.161 . . . . . . B 177 LEU CG . 34448 1 1803 . 2 . 1 77 77 LEU CD1 C 13 25.553 0.035 . . . . . . B 177 LEU CD1 . 34448 1 1804 . 2 . 1 77 77 LEU CD2 C 13 24.747 0.074 . . . . . . B 177 LEU CD2 . 34448 1 1805 . 2 . 1 77 77 LEU N N 15 116.297 0.008 . . . . . . B 177 LEU N . 34448 1 1806 . 2 . 1 78 78 LYS H H 1 8.177 0.003 . . . . . . B 178 LYS H . 34448 1 1807 . 2 . 1 78 78 LYS HA H 1 4.126 0.009 . . . . . . B 178 LYS HA . 34448 1 1808 . 2 . 1 78 78 LYS HB2 H 1 1.981 0.005 . . . . . . B 178 LYS HB2 . 34448 1 1809 . 2 . 1 78 78 LYS HB3 H 1 2.081 0.003 . . . . . . B 178 LYS HB3 . 34448 1 1810 . 2 . 1 78 78 LYS HG2 H 1 1.538 0.013 . . . . . . B 178 LYS HG2 . 34448 1 1811 . 2 . 1 78 78 LYS HG3 H 1 1.440 0.008 . . . . . . B 178 LYS HG3 . 34448 1 1812 . 2 . 1 78 78 LYS HD2 H 1 1.695 0.001 . . . . . . B 178 LYS HD2 . 34448 1 1813 . 2 . 1 78 78 LYS HD3 H 1 1.654 0.004 . . . . . . B 178 LYS HD3 . 34448 1 1814 . 2 . 1 78 78 LYS HE2 H 1 2.911 0.007 . . . . . . B 178 LYS HE2 . 34448 1 1815 . 2 . 1 78 78 LYS HE3 H 1 2.911 0.007 . . . . . . B 178 LYS HE3 . 34448 1 1816 . 2 . 1 78 78 LYS C C 13 179.686 0.025 . . . . . . B 178 LYS C . 34448 1 1817 . 2 . 1 78 78 LYS CA C 13 59.259 0.072 . . . . . . B 178 LYS CA . 34448 1 1818 . 2 . 1 78 78 LYS CB C 13 32.249 0.078 . . . . . . B 178 LYS CB . 34448 1 1819 . 2 . 1 78 78 LYS CG C 13 24.815 0.027 . . . . . . B 178 LYS CG . 34448 1 1820 . 2 . 1 78 78 LYS CD C 13 29.235 0.040 . . . . . . B 178 LYS CD . 34448 1 1821 . 2 . 1 78 78 LYS CE C 13 41.871 0.052 . . . . . . B 178 LYS CE . 34448 1 1822 . 2 . 1 78 78 LYS N N 15 119.294 0.002 . . . . . . B 178 LYS N . 34448 1 1823 . 2 . 1 79 79 LEU H H 1 8.706 0.004 . . . . . . B 179 LEU H . 34448 1 1824 . 2 . 1 79 79 LEU HA H 1 4.058 0.009 . . . . . . B 179 LEU HA . 34448 1 1825 . 2 . 1 79 79 LEU HB2 H 1 1.262 0.003 . . . . . . B 179 LEU HB2 . 34448 1 1826 . 2 . 1 79 79 LEU HB3 H 1 2.076 0.011 . . . . . . B 179 LEU HB3 . 34448 1 1827 . 2 . 1 79 79 LEU HG H 1 1.813 0.016 . . . . . . B 179 LEU HG . 34448 1 1828 . 2 . 1 79 79 LEU HD11 H 1 0.794 0.002 . . . . . . B 179 LEU HD11 . 34448 1 1829 . 2 . 1 79 79 LEU HD12 H 1 0.794 0.002 . . . . . . B 179 LEU HD12 . 34448 1 1830 . 2 . 1 79 79 LEU HD13 H 1 0.794 0.002 . . . . . . B 179 LEU HD13 . 34448 1 1831 . 2 . 1 79 79 LEU HD21 H 1 1.023 0.004 . . . . . . B 179 LEU HD21 . 34448 1 1832 . 2 . 1 79 79 LEU HD22 H 1 1.023 0.004 . . . . . . B 179 LEU HD22 . 34448 1 1833 . 2 . 1 79 79 LEU HD23 H 1 1.023 0.004 . . . . . . B 179 LEU HD23 . 34448 1 1834 . 2 . 1 79 79 LEU C C 13 180.030 0.019 . . . . . . B 179 LEU C . 34448 1 1835 . 2 . 1 79 79 LEU CA C 13 57.980 0.103 . . . . . . B 179 LEU CA . 34448 1 1836 . 2 . 1 79 79 LEU CB C 13 43.550 0.101 . . . . . . B 179 LEU CB . 34448 1 1837 . 2 . 1 79 79 LEU CG C 13 27.626 0.044 . . . . . . B 179 LEU CG . 34448 1 1838 . 2 . 1 79 79 LEU CD1 C 13 23.456 0.057 . . . . . . B 179 LEU CD1 . 34448 1 1839 . 2 . 1 79 79 LEU CD2 C 13 27.060 0.075 . . . . . . B 179 LEU CD2 . 34448 1 1840 . 2 . 1 79 79 LEU N N 15 118.605 0.004 . . . . . . B 179 LEU N . 34448 1 1841 . 2 . 1 80 80 LYS H H 1 8.722 0.002 . . . . . . B 180 LYS H . 34448 1 1842 . 2 . 1 80 80 LYS HA H 1 4.059 0.011 . . . . . . B 180 LYS HA . 34448 1 1843 . 2 . 1 80 80 LYS C C 13 178.093 0.013 . . . . . . B 180 LYS C . 34448 1 1844 . 2 . 1 80 80 LYS CA C 13 57.731 0.134 . . . . . . B 180 LYS CA . 34448 1 1845 . 2 . 1 80 80 LYS CB C 13 30.562 0.003 . . . . . . B 180 LYS CB . 34448 1 1846 . 2 . 1 80 80 LYS CE C 13 43.518 0.000 . . . . . . B 180 LYS CE . 34448 1 1847 . 2 . 1 80 80 LYS N N 15 121.631 0.005 . . . . . . B 180 LYS N . 34448 1 1848 . 2 . 1 81 81 GLN H H 1 8.848 0.002 . . . . . . B 181 GLN H . 34448 1 1849 . 2 . 1 81 81 GLN HA H 1 3.900 0.005 . . . . . . B 181 GLN HA . 34448 1 1850 . 2 . 1 81 81 GLN HB2 H 1 2.469 0.002 . . . . . . B 181 GLN HB2 . 34448 1 1851 . 2 . 1 81 81 GLN HB3 H 1 2.262 0.004 . . . . . . B 181 GLN HB3 . 34448 1 1852 . 2 . 1 81 81 GLN HG2 H 1 2.479 0.002 . . . . . . B 181 GLN HG2 . 34448 1 1853 . 2 . 1 81 81 GLN HG3 H 1 2.610 0.003 . . . . . . B 181 GLN HG3 . 34448 1 1854 . 2 . 1 81 81 GLN HE21 H 1 7.620 0.002 . . . . . . B 181 GLN HE21 . 34448 1 1855 . 2 . 1 81 81 GLN HE22 H 1 6.857 0.001 . . . . . . B 181 GLN HE22 . 34448 1 1856 . 2 . 1 81 81 GLN C C 13 178.508 0.019 . . . . . . B 181 GLN C . 34448 1 1857 . 2 . 1 81 81 GLN CA C 13 59.652 0.053 . . . . . . B 181 GLN CA . 34448 1 1858 . 2 . 1 81 81 GLN CB C 13 28.478 0.079 . . . . . . B 181 GLN CB . 34448 1 1859 . 2 . 1 81 81 GLN CG C 13 34.360 0.067 . . . . . . B 181 GLN CG . 34448 1 1860 . 2 . 1 81 81 GLN N N 15 118.782 0.007 . . . . . . B 181 GLN N . 34448 1 1861 . 2 . 1 81 81 GLN NE2 N 15 111.161 0.009 . . . . . . B 181 GLN NE2 . 34448 1 1862 . 2 . 1 82 82 GLN H H 1 7.935 0.002 . . . . . . B 182 GLN H . 34448 1 1863 . 2 . 1 82 82 GLN HA H 1 4.097 0.006 . . . . . . B 182 GLN HA . 34448 1 1864 . 2 . 1 82 82 GLN HB2 H 1 2.153 0.014 . . . . . . B 182 GLN HB2 . 34448 1 1865 . 2 . 1 82 82 GLN HB3 H 1 2.217 0.022 . . . . . . B 182 GLN HB3 . 34448 1 1866 . 2 . 1 82 82 GLN HG2 H 1 2.436 0.003 . . . . . . B 182 GLN HG2 . 34448 1 1867 . 2 . 1 82 82 GLN HG3 H 1 2.617 0.003 . . . . . . B 182 GLN HG3 . 34448 1 1868 . 2 . 1 82 82 GLN HE21 H 1 7.213 0.032 . . . . . . B 182 GLN HE21 . 34448 1 1869 . 2 . 1 82 82 GLN HE22 H 1 7.329 0.028 . . . . . . B 182 GLN HE22 . 34448 1 1870 . 2 . 1 82 82 GLN C C 13 178.243 0.015 . . . . . . B 182 GLN C . 34448 1 1871 . 2 . 1 82 82 GLN CA C 13 58.669 0.147 . . . . . . B 182 GLN CA . 34448 1 1872 . 2 . 1 82 82 GLN CB C 13 28.578 0.101 . . . . . . B 182 GLN CB . 34448 1 1873 . 2 . 1 82 82 GLN CG C 13 34.447 0.066 . . . . . . B 182 GLN CG . 34448 1 1874 . 2 . 1 82 82 GLN N N 15 117.095 0.000 . . . . . . B 182 GLN N . 34448 1 1875 . 2 . 1 82 82 GLN NE2 N 15 110.523 0.008 . . . . . . B 182 GLN NE2 . 34448 1 1876 . 2 . 1 83 83 GLN H H 1 7.624 0.002 . . . . . . B 183 GLN H . 34448 1 1877 . 2 . 1 83 83 GLN HA H 1 4.060 0.003 . . . . . . B 183 GLN HA . 34448 1 1878 . 2 . 1 83 83 GLN HB2 H 1 2.162 0.007 . . . . . . B 183 GLN HB2 . 34448 1 1879 . 2 . 1 83 83 GLN HB3 H 1 2.267 0.007 . . . . . . B 183 GLN HB3 . 34448 1 1880 . 2 . 1 83 83 GLN HG2 H 1 2.183 0.006 . . . . . . B 183 GLN HG2 . 34448 1 1881 . 2 . 1 83 83 GLN HG3 H 1 2.538 0.083 . . . . . . B 183 GLN HG3 . 34448 1 1882 . 2 . 1 83 83 GLN HE21 H 1 7.679 0.002 . . . . . . B 183 GLN HE21 . 34448 1 1883 . 2 . 1 83 83 GLN HE22 H 1 7.005 0.001 . . . . . . B 183 GLN HE22 . 34448 1 1884 . 2 . 1 83 83 GLN C C 13 178.380 0.019 . . . . . . B 183 GLN C . 34448 1 1885 . 2 . 1 83 83 GLN CA C 13 58.345 0.093 . . . . . . B 183 GLN CA . 34448 1 1886 . 2 . 1 83 83 GLN CB C 13 29.155 0.084 . . . . . . B 183 GLN CB . 34448 1 1887 . 2 . 1 83 83 GLN CG C 13 33.926 0.072 . . . . . . B 183 GLN CG . 34448 1 1888 . 2 . 1 83 83 GLN N N 15 118.825 0.002 . . . . . . B 183 GLN N . 34448 1 1889 . 2 . 1 83 83 GLN NE2 N 15 111.633 0.004 . . . . . . B 183 GLN NE2 . 34448 1 1890 . 2 . 1 84 84 LEU H H 1 7.733 0.006 . . . . . . B 184 LEU H . 34448 1 1891 . 2 . 1 84 84 LEU HA H 1 4.078 0.005 . . . . . . B 184 LEU HA . 34448 1 1892 . 2 . 1 84 84 LEU HB2 H 1 1.636 0.004 . . . . . . B 184 LEU HB2 . 34448 1 1893 . 2 . 1 84 84 LEU HB3 H 1 1.387 0.007 . . . . . . B 184 LEU HB3 . 34448 1 1894 . 2 . 1 84 84 LEU HG H 1 1.464 0.004 . . . . . . B 184 LEU HG . 34448 1 1895 . 2 . 1 84 84 LEU HD11 H 1 0.499 0.002 . . . . . . B 184 LEU HD11 . 34448 1 1896 . 2 . 1 84 84 LEU HD12 H 1 0.499 0.002 . . . . . . B 184 LEU HD12 . 34448 1 1897 . 2 . 1 84 84 LEU HD13 H 1 0.499 0.002 . . . . . . B 184 LEU HD13 . 34448 1 1898 . 2 . 1 84 84 LEU HD21 H 1 0.045 0.004 . . . . . . B 184 LEU HD21 . 34448 1 1899 . 2 . 1 84 84 LEU HD22 H 1 0.045 0.004 . . . . . . B 184 LEU HD22 . 34448 1 1900 . 2 . 1 84 84 LEU HD23 H 1 0.045 0.004 . . . . . . B 184 LEU HD23 . 34448 1 1901 . 2 . 1 84 84 LEU C C 13 178.508 0.032 . . . . . . B 184 LEU C . 34448 1 1902 . 2 . 1 84 84 LEU CA C 13 56.212 0.032 . . . . . . B 184 LEU CA . 34448 1 1903 . 2 . 1 84 84 LEU CB C 13 42.107 0.061 . . . . . . B 184 LEU CB . 34448 1 1904 . 2 . 1 84 84 LEU CG C 13 26.459 0.136 . . . . . . B 184 LEU CG . 34448 1 1905 . 2 . 1 84 84 LEU CD1 C 13 22.585 0.051 . . . . . . B 184 LEU CD1 . 34448 1 1906 . 2 . 1 84 84 LEU CD2 C 13 24.790 0.064 . . . . . . B 184 LEU CD2 . 34448 1 1907 . 2 . 1 84 84 LEU N N 15 118.382 0.005 . . . . . . B 184 LEU N . 34448 1 1908 . 2 . 1 85 85 GLU H H 1 7.845 0.005 . . . . . . B 185 GLU H . 34448 1 1909 . 2 . 1 85 85 GLU HA H 1 4.214 0.003 . . . . . . B 185 GLU HA . 34448 1 1910 . 2 . 1 85 85 GLU HB2 H 1 2.111 0.000 . . . . . . B 185 GLU HB2 . 34448 1 1911 . 2 . 1 85 85 GLU HB3 H 1 2.030 0.001 . . . . . . B 185 GLU HB3 . 34448 1 1912 . 2 . 1 85 85 GLU HG2 H 1 2.437 0.001 . . . . . . B 185 GLU HG2 . 34448 1 1913 . 2 . 1 85 85 GLU HG3 H 1 2.300 0.012 . . . . . . B 185 GLU HG3 . 34448 1 1914 . 2 . 1 85 85 GLU C C 13 176.827 0.013 . . . . . . B 185 GLU C . 34448 1 1915 . 2 . 1 85 85 GLU CA C 13 57.214 0.082 . . . . . . B 185 GLU CA . 34448 1 1916 . 2 . 1 85 85 GLU CB C 13 29.864 0.048 . . . . . . B 185 GLU CB . 34448 1 1917 . 2 . 1 85 85 GLU CG C 13 36.522 0.038 . . . . . . B 185 GLU CG . 34448 1 1918 . 2 . 1 85 85 GLU N N 15 118.644 0.005 . . . . . . B 185 GLU N . 34448 1 1919 . 2 . 1 86 86 GLN H H 1 7.875 0.002 . . . . . . B 186 GLN H . 34448 1 1920 . 2 . 1 86 86 GLN HA H 1 4.328 0.006 . . . . . . B 186 GLN HA . 34448 1 1921 . 2 . 1 86 86 GLN HB2 H 1 2.195 0.011 . . . . . . B 186 GLN HB2 . 34448 1 1922 . 2 . 1 86 86 GLN HB3 H 1 2.058 0.004 . . . . . . B 186 GLN HB3 . 34448 1 1923 . 2 . 1 86 86 GLN HG2 H 1 2.440 0.002 . . . . . . B 186 GLN HG2 . 34448 1 1924 . 2 . 1 86 86 GLN HG3 H 1 2.440 0.002 . . . . . . B 186 GLN HG3 . 34448 1 1925 . 2 . 1 86 86 GLN HE21 H 1 7.567 0.001 . . . . . . B 186 GLN HE21 . 34448 1 1926 . 2 . 1 86 86 GLN HE22 H 1 6.855 0.001 . . . . . . B 186 GLN HE22 . 34448 1 1927 . 2 . 1 86 86 GLN C C 13 175.773 0.005 . . . . . . B 186 GLN C . 34448 1 1928 . 2 . 1 86 86 GLN CA C 13 56.213 0.088 . . . . . . B 186 GLN CA . 34448 1 1929 . 2 . 1 86 86 GLN CB C 13 29.466 0.056 . . . . . . B 186 GLN CB . 34448 1 1930 . 2 . 1 86 86 GLN CG C 13 33.972 0.086 . . . . . . B 186 GLN CG . 34448 1 1931 . 2 . 1 86 86 GLN N N 15 119.465 0.006 . . . . . . B 186 GLN N . 34448 1 1932 . 2 . 1 86 86 GLN NE2 N 15 112.437 0.006 . . . . . . B 186 GLN NE2 . 34448 1 1933 . 2 . 1 87 87 GLY H H 1 7.924 0.002 . . . . . . B 187 GLY H . 34448 1 1934 . 2 . 1 87 87 GLY HA2 H 1 3.761 0.000 . . . . . . B 187 GLY HA2 . 34448 1 1935 . 2 . 1 87 87 GLY HA3 H 1 3.761 0.000 . . . . . . B 187 GLY HA3 . 34448 1 1936 . 2 . 1 87 87 GLY C C 13 179.057 0.000 . . . . . . B 187 GLY C . 34448 1 1937 . 2 . 1 87 87 GLY CA C 13 46.444 0.000 . . . . . . B 187 GLY CA . 34448 1 1938 . 2 . 1 87 87 GLY N N 15 115.487 0.003 . . . . . . B 187 GLY N . 34448 1 stop_ save_