data_50088 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50088 _Entry.Title ; Structure and function of the bacterial toxin phenomycin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-11-14 _Entry.Accession_date 2019-11-14 _Entry.Last_release_date 2019-11-15 _Entry.Original_release_date 2019-11-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.1.31 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Jakob Nielsen . T. . 0000-0002-9554-4662 50088 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Danish Center for Ultrahigh Field NMR Spectroscopy, Aarhus' . 50088 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50088 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 389 50088 '15N chemical shifts' 99 50088 '1H chemical shifts' 619 50088 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2020-05-29 2019-11-14 update BMRB 'update entry citation' 50088 1 . . 2020-01-10 2019-11-14 original author 'original release' 50088 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50088 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32220302 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structure and Function of the Bacterial Protein Toxin Phenomycin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 28 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1878-4186 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 528 _Citation.Page_last 539 _Citation.Year 2020 _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 Bente Hansen B. K. . . 50088 1 2 Camilla Larsen C. K. . . 50088 1 3 Jakob Nielsen J. T. . . 50088 1 4 Esben Svenningsen E. B. . . 50088 1 5 Lan Van L. B. . . 50088 1 6 Kristian Jacobsen K. M. . . 50088 1 7 Morten Bjerring M. . . . 50088 1 8 Rasmus Flygaard R. K. . . 50088 1 9 Lasse Jenner L. B. . . 50088 1 10 Lene Nejsum L. N. . . 50088 1 11 Ditlev Brodersen D. E. . . 50088 1 12 Frans Mulder . . . . 50088 1 13 Thomas Tyrring T. . . . 50088 1 14 Thomas Poulsen T. B. . . 50088 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50088 _Assembly.ID 1 _Assembly.Name Phenomycin _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 Phenomycin 1 $entity_1 . . yes native no no . . . 50088 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50088 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Phenomycin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; NPKTIKAAAYNQARSTLADA GSRTAAKSHPIHGKTDVPVS YGTSLLAAARDEFRQADKKL PAKDKKSDMSIAHYNAVHSA AKTMGIDTW ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 1 GLY . 50088 1 2 2 ALA . 50088 1 3 3 MET . 50088 1 4 4 ALA . 50088 1 5 5 ASN . 50088 1 6 6 PRO . 50088 1 7 7 LYS . 50088 1 8 8 THR . 50088 1 9 9 ILE . 50088 1 10 10 LYS . 50088 1 11 11 ALA . 50088 1 12 12 ALA . 50088 1 13 13 ALA . 50088 1 14 14 TYR . 50088 1 15 15 ASN . 50088 1 16 16 GLN . 50088 1 17 17 ALA . 50088 1 18 18 ARG . 50088 1 19 19 SER . 50088 1 20 20 THR . 50088 1 21 21 LEU . 50088 1 22 22 ALA . 50088 1 23 23 ASP . 50088 1 24 24 ALA . 50088 1 25 25 GLY . 50088 1 26 26 SER . 50088 1 27 27 ARG . 50088 1 28 28 THR . 50088 1 29 29 ALA . 50088 1 30 30 ALA . 50088 1 31 31 LYS . 50088 1 32 32 SER . 50088 1 33 33 HIS . 50088 1 34 34 PRO . 50088 1 35 35 ILE . 50088 1 36 36 HIS . 50088 1 37 37 GLY . 50088 1 38 38 LYS . 50088 1 39 39 THR . 50088 1 40 40 ASP . 50088 1 41 41 VAL . 50088 1 42 42 PRO . 50088 1 43 43 VAL . 50088 1 44 44 SER . 50088 1 45 45 TYR . 50088 1 46 46 GLY . 50088 1 47 47 THR . 50088 1 48 48 SER . 50088 1 49 49 LEU . 50088 1 50 50 LEU . 50088 1 51 51 ALA . 50088 1 52 52 ALA . 50088 1 53 53 ALA . 50088 1 54 54 ARG . 50088 1 55 55 ASP . 50088 1 56 56 GLU . 50088 1 57 57 PHE . 50088 1 58 58 ARG . 50088 1 59 59 GLN . 50088 1 60 60 ALA . 50088 1 61 61 ASP . 50088 1 62 62 LYS . 50088 1 63 63 LYS . 50088 1 64 64 LEU . 50088 1 65 65 PRO . 50088 1 66 66 ALA . 50088 1 67 67 LYS . 50088 1 68 68 ASP . 50088 1 69 69 LYS . 50088 1 70 70 LYS . 50088 1 71 71 SER . 50088 1 72 72 ASP . 50088 1 73 73 MET . 50088 1 74 74 SER . 50088 1 75 75 ILE . 50088 1 76 76 ALA . 50088 1 77 77 HIS . 50088 1 78 78 TYR . 50088 1 79 79 ASN . 50088 1 80 80 ALA . 50088 1 81 81 VAL . 50088 1 82 82 HIS . 50088 1 83 83 SER . 50088 1 84 84 ALA . 50088 1 85 85 ALA . 50088 1 86 86 LYS . 50088 1 87 87 THR . 50088 1 88 88 MET . 50088 1 89 89 GLY . 50088 1 90 90 ILE . 50088 1 91 91 ASP . 50088 1 92 92 THR . 50088 1 93 93 TRP . 50088 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 . ASN 1 1 50088 1 . PRO 2 2 50088 1 . LYS 3 3 50088 1 . THR 4 4 50088 1 . ILE 5 5 50088 1 . LYS 6 6 50088 1 . ALA 7 7 50088 1 . ALA 8 8 50088 1 . ALA 9 9 50088 1 . TYR 10 10 50088 1 . ASN 11 11 50088 1 . GLN 12 12 50088 1 . ALA 13 13 50088 1 . ARG 14 14 50088 1 . SER 15 15 50088 1 . THR 16 16 50088 1 . LEU 17 17 50088 1 . ALA 18 18 50088 1 . ASP 19 19 50088 1 . ALA 20 20 50088 1 . GLY 21 21 50088 1 . SER 22 22 50088 1 . ARG 23 23 50088 1 . THR 24 24 50088 1 . ALA 25 25 50088 1 . ALA 26 26 50088 1 . LYS 27 27 50088 1 . SER 28 28 50088 1 . HIS 29 29 50088 1 . PRO 30 30 50088 1 . ILE 31 31 50088 1 . HIS 32 32 50088 1 . GLY 33 33 50088 1 . LYS 34 34 50088 1 . THR 35 35 50088 1 . ASP 36 36 50088 1 . VAL 37 37 50088 1 . PRO 38 38 50088 1 . VAL 39 39 50088 1 . SER 40 40 50088 1 . TYR 41 41 50088 1 . GLY 42 42 50088 1 . THR 43 43 50088 1 . SER 44 44 50088 1 . LEU 45 45 50088 1 . LEU 46 46 50088 1 . ALA 47 47 50088 1 . ALA 48 48 50088 1 . ALA 49 49 50088 1 . ARG 50 50 50088 1 . ASP 51 51 50088 1 . GLU 52 52 50088 1 . PHE 53 53 50088 1 . ARG 54 54 50088 1 . GLN 55 55 50088 1 . ALA 56 56 50088 1 . ASP 57 57 50088 1 . LYS 58 58 50088 1 . LYS 59 59 50088 1 . LEU 60 60 50088 1 . PRO 61 61 50088 1 . ALA 62 62 50088 1 . LYS 63 63 50088 1 . ASP 64 64 50088 1 . LYS 65 65 50088 1 . LYS 66 66 50088 1 . SER 67 67 50088 1 . ASP 68 68 50088 1 . MET 69 69 50088 1 . SER 70 70 50088 1 . ILE 71 71 50088 1 . ALA 72 72 50088 1 . HIS 73 73 50088 1 . TYR 74 74 50088 1 . ASN 75 75 50088 1 . ALA 76 76 50088 1 . VAL 77 77 50088 1 . HIS 78 78 50088 1 . SER 79 79 50088 1 . ALA 80 80 50088 1 . ALA 81 81 50088 1 . LYS 82 82 50088 1 . THR 83 83 50088 1 . MET 84 84 50088 1 . GLY 85 85 50088 1 . ILE 86 86 50088 1 . ASP 87 87 50088 1 . THR 88 88 50088 1 . TRP 89 89 50088 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50088 _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 . 66429 organism . 'Streptomyces fervens MA 564-Cl' 'Streptomyces fervens MA 564-Cl' . . Bacteria . Streptomyces fervens . . . . . . . . . . . . . 50088 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50088 _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' . . . . . BL21 . . plasmid . . pETM11 . . . 50088 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50088 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1-2 . . mM . . . . 50088 1 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 50088 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 50088 _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' 10 . mM 50088 1 pH 3.25 0.1 pH 50088 1 pressure 1 . atm 50088 1 temperature 298 . K 50088 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50088 _Software.ID 1 _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 . . 50088 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'peak picking' 50088 1 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50088 _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' . . 50088 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure solution' 50088 2 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50088 _Software.ID 3 _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' . . 50088 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 50088 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50088 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'with a shielded-gradient TXI probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50088 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50088 _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 . . . . . . . . . . . . . . . . 50088 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50088 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50088 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50088 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50088 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50088 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50088 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50088 1 9 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50088 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 50088 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 50088 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 50088 _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 na indirect 0.251449530 . . . . . 50088 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.000000000 . . . . . 50088 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 50088 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 50088 _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' . . . 50088 1 2 '2D 1H-13C HSQC' . . . 50088 1 3 '3D HNCACB' . . . 50088 1 4 '3D HNCO' . . . 50088 1 5 '3D HBHA(CO)NH' . . . 50088 1 6 '3D H(CCO)NH' . . . 50088 1 7 '3D C(CO)NH' . . . 50088 1 8 '3D HCCH-TOCSY' . . . 50088 1 9 '3D HN(CA)CO' . . . 50088 1 10 '3D 1H-15N NOESY' . . . 50088 1 11 '3D 1H-13C NOESY' . . . 50088 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 3.870 0.020 . 2 . . . . . 1 GLY HA2 . 50088 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.870 0.020 . 2 . . . . . 1 GLY HA3 . 50088 1 3 . 1 . 1 1 1 GLY C C 13 169.680 0.400 . 1 . . . . . 1 GLY C . 50088 1 4 . 1 . 1 1 1 GLY CA C 13 43.200 0.400 . 1 . . . . . 1 GLY CA . 50088 1 5 . 1 . 1 2 2 ALA H H 1 8.639 0.020 . 1 . . . . . 2 ALA H . 50088 1 6 . 1 . 1 2 2 ALA HA H 1 4.400 0.020 . 1 . . . . . 2 ALA HA . 50088 1 7 . 1 . 1 2 2 ALA HB1 H 1 1.420 0.020 . 1 . . . . . 2 ALA HB1 . 50088 1 8 . 1 . 1 2 2 ALA HB2 H 1 1.420 0.020 . 1 . . . . . 2 ALA HB2 . 50088 1 9 . 1 . 1 2 2 ALA HB3 H 1 1.420 0.020 . 1 . . . . . 2 ALA HB3 . 50088 1 10 . 1 . 1 2 2 ALA C C 13 177.590 0.400 . 1 . . . . . 2 ALA C . 50088 1 11 . 1 . 1 2 2 ALA CA C 13 52.360 0.400 . 1 . . . . . 2 ALA CA . 50088 1 12 . 1 . 1 2 2 ALA CB C 13 19.310 0.400 . 1 . . . . . 2 ALA CB . 50088 1 13 . 1 . 1 2 2 ALA N N 15 123.670 0.400 . 1 . . . . . 2 ALA N . 50088 1 14 . 1 . 1 3 3 MET H H 1 8.494 0.020 . 1 . . . . . 3 MET H . 50088 1 15 . 1 . 1 3 3 MET HA H 1 4.510 0.020 . 1 . . . . . 3 MET HA . 50088 1 16 . 1 . 1 3 3 MET HB2 H 1 2.089 0.020 . 2 . . . . . 3 MET HB2 . 50088 1 17 . 1 . 1 3 3 MET HB3 H 1 2.018 0.020 . 2 . . . . . 3 MET HB3 . 50088 1 18 . 1 . 1 3 3 MET HG2 H 1 2.660 0.020 . 2 . . . . . 3 MET HG2 . 50088 1 19 . 1 . 1 3 3 MET HG3 H 1 2.595 0.020 . 2 . . . . . 3 MET HG3 . 50088 1 20 . 1 . 1 3 3 MET HE1 H 1 2.150 0.020 . 1 . . . . . 3 MET HE1 . 50088 1 21 . 1 . 1 3 3 MET HE2 H 1 2.150 0.020 . 1 . . . . . 3 MET HE2 . 50088 1 22 . 1 . 1 3 3 MET HE3 H 1 2.150 0.020 . 1 . . . . . 3 MET HE3 . 50088 1 23 . 1 . 1 3 3 MET C C 13 175.440 0.400 . 1 . . . . . 3 MET C . 50088 1 24 . 1 . 1 3 3 MET CA C 13 55.210 0.400 . 1 . . . . . 3 MET CA . 50088 1 25 . 1 . 1 3 3 MET CB C 13 32.956 0.400 . 1 . . . . . 3 MET CB . 50088 1 26 . 1 . 1 3 3 MET CG C 13 31.893 0.400 . 1 . . . . . 3 MET CG . 50088 1 27 . 1 . 1 3 3 MET CE C 13 16.873 0.400 . 1 . . . . . 3 MET CE . 50088 1 28 . 1 . 1 3 3 MET N N 15 120.346 0.400 . 1 . . . . . 3 MET N . 50088 1 29 . 1 . 1 4 4 ALA H H 1 8.351 0.020 . 1 . . . . . 4 ALA H . 50088 1 30 . 1 . 1 4 4 ALA HA H 1 4.430 0.020 . 1 . . . . . 4 ALA HA . 50088 1 31 . 1 . 1 4 4 ALA HB1 H 1 1.430 0.020 . 1 . . . . . 4 ALA HB1 . 50088 1 32 . 1 . 1 4 4 ALA HB2 H 1 1.430 0.020 . 1 . . . . . 4 ALA HB2 . 50088 1 33 . 1 . 1 4 4 ALA HB3 H 1 1.430 0.020 . 1 . . . . . 4 ALA HB3 . 50088 1 34 . 1 . 1 4 4 ALA C C 13 176.870 0.400 . 1 . . . . . 4 ALA C . 50088 1 35 . 1 . 1 4 4 ALA CA C 13 51.830 0.400 . 1 . . . . . 4 ALA CA . 50088 1 36 . 1 . 1 4 4 ALA CB C 13 19.960 0.400 . 1 . . . . . 4 ALA CB . 50088 1 37 . 1 . 1 4 4 ALA N N 15 125.718 0.400 . 1 . . . . . 4 ALA N . 50088 1 38 . 1 . 1 5 5 ASN H H 1 8.528 0.020 . 1 . . . . . 5 ASN H . 50088 1 39 . 1 . 1 5 5 ASN HA H 1 5.141 0.020 . 1 . . . . . 5 ASN HA . 50088 1 40 . 1 . 1 5 5 ASN HB2 H 1 2.862 0.020 . 2 . . . . . 5 ASN HB2 . 50088 1 41 . 1 . 1 5 5 ASN HB3 H 1 2.802 0.020 . 2 . . . . . 5 ASN HB3 . 50088 1 42 . 1 . 1 5 5 ASN HD21 H 1 7.761 0.020 . 2 . . . . . 5 ASN HD21 . 50088 1 43 . 1 . 1 5 5 ASN HD22 H 1 7.892 0.020 . 2 . . . . . 5 ASN HD22 . 50088 1 44 . 1 . 1 5 5 ASN C C 13 173.650 0.400 . 1 . . . . . 5 ASN C . 50088 1 45 . 1 . 1 5 5 ASN CA C 13 50.983 0.400 . 1 . . . . . 5 ASN CA . 50088 1 46 . 1 . 1 5 5 ASN CB C 13 38.133 0.400 . 1 . . . . . 5 ASN CB . 50088 1 47 . 1 . 1 5 5 ASN N N 15 119.615 0.400 . 1 . . . . . 5 ASN N . 50088 1 48 . 1 . 1 5 5 ASN ND2 N 15 112.562 0.400 . 1 . . . . . 5 ASN ND2 . 50088 1 49 . 1 . 1 6 6 PRO HA H 1 4.680 0.020 . 1 . . . . . 6 PRO HA . 50088 1 50 . 1 . 1 6 6 PRO HB2 H 1 2.356 0.020 . 2 . . . . . 6 PRO HB2 . 50088 1 51 . 1 . 1 6 6 PRO HB3 H 1 2.451 0.020 . 2 . . . . . 6 PRO HB3 . 50088 1 52 . 1 . 1 6 6 PRO HG2 H 1 1.883 0.020 . 2 . . . . . 6 PRO HG2 . 50088 1 53 . 1 . 1 6 6 PRO HG3 H 1 2.345 0.020 . 2 . . . . . 6 PRO HG3 . 50088 1 54 . 1 . 1 6 6 PRO HD2 H 1 3.573 0.020 . 2 . . . . . 6 PRO HD2 . 50088 1 55 . 1 . 1 6 6 PRO HD3 H 1 3.977 0.020 . 2 . . . . . 6 PRO HD3 . 50088 1 56 . 1 . 1 6 6 PRO C C 13 175.990 0.400 . 1 . . . . . 6 PRO C . 50088 1 57 . 1 . 1 6 6 PRO CA C 13 62.440 0.400 . 1 . . . . . 6 PRO CA . 50088 1 58 . 1 . 1 6 6 PRO CB C 13 32.179 0.400 . 1 . . . . . 6 PRO CB . 50088 1 59 . 1 . 1 6 6 PRO CG C 13 28.562 0.400 . 1 . . . . . 6 PRO CG . 50088 1 60 . 1 . 1 6 6 PRO CD C 13 50.419 0.400 . 1 . . . . . 6 PRO CD . 50088 1 61 . 1 . 1 7 7 LYS H H 1 8.650 0.020 . 1 . . . . . 7 LYS H . 50088 1 62 . 1 . 1 7 7 LYS HA H 1 4.360 0.020 . 1 . . . . . 7 LYS HA . 50088 1 63 . 1 . 1 7 7 LYS HB2 H 1 1.936 0.020 . 2 . . . . . 7 LYS HB2 . 50088 1 64 . 1 . 1 7 7 LYS HB3 H 1 1.987 0.020 . 2 . . . . . 7 LYS HB3 . 50088 1 65 . 1 . 1 7 7 LYS HG2 H 1 1.560 0.020 . 2 . . . . . 7 LYS HG2 . 50088 1 66 . 1 . 1 7 7 LYS HG3 H 1 1.684 0.020 . 2 . . . . . 7 LYS HG3 . 50088 1 67 . 1 . 1 7 7 LYS HD2 H 1 1.734 0.020 . 2 . . . . . 7 LYS HD2 . 50088 1 68 . 1 . 1 7 7 LYS HD3 H 1 1.734 0.020 . 2 . . . . . 7 LYS HD3 . 50088 1 69 . 1 . 1 7 7 LYS HE2 H 1 3.086 0.020 . 2 . . . . . 7 LYS HE2 . 50088 1 70 . 1 . 1 7 7 LYS HE3 H 1 3.086 0.020 . 2 . . . . . 7 LYS HE3 . 50088 1 71 . 1 . 1 7 7 LYS C C 13 178.310 0.400 . 1 . . . . . 7 LYS C . 50088 1 72 . 1 . 1 7 7 LYS CA C 13 57.860 0.400 . 1 . . . . . 7 LYS CA . 50088 1 73 . 1 . 1 7 7 LYS CB C 13 33.365 0.400 . 1 . . . . . 7 LYS CB . 50088 1 74 . 1 . 1 7 7 LYS CG C 13 25.402 0.400 . 1 . . . . . 7 LYS CG . 50088 1 75 . 1 . 1 7 7 LYS CD C 13 29.070 0.400 . 1 . . . . . 7 LYS CD . 50088 1 76 . 1 . 1 7 7 LYS CE C 13 41.945 0.400 . 1 . . . . . 7 LYS CE . 50088 1 77 . 1 . 1 7 7 LYS N N 15 117.562 0.400 . 1 . . . . . 7 LYS N . 50088 1 78 . 1 . 1 8 8 THR H H 1 7.837 0.020 . 1 . . . . . 8 THR H . 50088 1 79 . 1 . 1 8 8 THR HA H 1 5.010 0.020 . 1 . . . . . 8 THR HA . 50088 1 80 . 1 . 1 8 8 THR HB H 1 4.100 0.020 . 1 . . . . . 8 THR HB . 50088 1 81 . 1 . 1 8 8 THR HG21 H 1 1.026 0.020 . 1 . . . . . 8 THR HG21 . 50088 1 82 . 1 . 1 8 8 THR HG22 H 1 1.026 0.020 . 1 . . . . . 8 THR HG22 . 50088 1 83 . 1 . 1 8 8 THR HG23 H 1 1.026 0.020 . 1 . . . . . 8 THR HG23 . 50088 1 84 . 1 . 1 8 8 THR C C 13 172.500 0.400 . 1 . . . . . 8 THR C . 50088 1 85 . 1 . 1 8 8 THR CA C 13 59.120 0.400 . 1 . . . . . 8 THR CA . 50088 1 86 . 1 . 1 8 8 THR CB C 13 72.720 0.400 . 1 . . . . . 8 THR CB . 50088 1 87 . 1 . 1 8 8 THR CG2 C 13 21.218 0.400 . 1 . . . . . 8 THR CG2 . 50088 1 88 . 1 . 1 8 8 THR N N 15 109.739 0.400 . 1 . . . . . 8 THR N . 50088 1 89 . 1 . 1 9 9 ILE H H 1 9.197 0.020 . 1 . . . . . 9 ILE H . 50088 1 90 . 1 . 1 9 9 ILE HA H 1 4.680 0.020 . 1 . . . . . 9 ILE HA . 50088 1 91 . 1 . 1 9 9 ILE HB H 1 1.869 0.020 . 1 . . . . . 9 ILE HB . 50088 1 92 . 1 . 1 9 9 ILE HG12 H 1 1.061 0.020 . 2 . . . . . 9 ILE HG12 . 50088 1 93 . 1 . 1 9 9 ILE HG13 H 1 1.344 0.020 . 2 . . . . . 9 ILE HG13 . 50088 1 94 . 1 . 1 9 9 ILE HG21 H 1 1.091 0.020 . 1 . . . . . 9 ILE HG21 . 50088 1 95 . 1 . 1 9 9 ILE HG22 H 1 1.091 0.020 . 1 . . . . . 9 ILE HG22 . 50088 1 96 . 1 . 1 9 9 ILE HG23 H 1 1.091 0.020 . 1 . . . . . 9 ILE HG23 . 50088 1 97 . 1 . 1 9 9 ILE HD11 H 1 1.088 0.020 . 1 . . . . . 9 ILE HD11 . 50088 1 98 . 1 . 1 9 9 ILE HD12 H 1 1.088 0.020 . 1 . . . . . 9 ILE HD12 . 50088 1 99 . 1 . 1 9 9 ILE HD13 H 1 1.088 0.020 . 1 . . . . . 9 ILE HD13 . 50088 1 100 . 1 . 1 9 9 ILE C C 13 175.180 0.400 . 1 . . . . . 9 ILE C . 50088 1 101 . 1 . 1 9 9 ILE CA C 13 59.120 0.400 . 1 . . . . . 9 ILE CA . 50088 1 102 . 1 . 1 9 9 ILE CB C 13 42.104 0.400 . 1 . . . . . 9 ILE CB . 50088 1 103 . 1 . 1 9 9 ILE CG1 C 13 26.027 0.400 . 1 . . . . . 9 ILE CG1 . 50088 1 104 . 1 . 1 9 9 ILE CG2 C 13 18.353 0.400 . 1 . . . . . 9 ILE CG2 . 50088 1 105 . 1 . 1 9 9 ILE CD1 C 13 16.138 0.400 . 1 . . . . . 9 ILE CD1 . 50088 1 106 . 1 . 1 9 9 ILE N N 15 114.865 0.400 . 1 . . . . . 9 ILE N . 50088 1 107 . 1 . 1 10 10 LYS H H 1 8.895 0.020 . 1 . . . . . 10 LYS H . 50088 1 108 . 1 . 1 10 10 LYS HA H 1 4.700 0.020 . 1 . . . . . 10 LYS HA . 50088 1 109 . 1 . 1 10 10 LYS HB2 H 1 2.084 0.020 . 2 . . . . . 10 LYS HB2 . 50088 1 110 . 1 . 1 10 10 LYS HB3 H 1 1.964 0.020 . 2 . . . . . 10 LYS HB3 . 50088 1 111 . 1 . 1 10 10 LYS HG2 H 1 1.657 0.020 . 2 . . . . . 10 LYS HG2 . 50088 1 112 . 1 . 1 10 10 LYS HG3 H 1 1.760 0.020 . 2 . . . . . 10 LYS HG3 . 50088 1 113 . 1 . 1 10 10 LYS HD2 H 1 1.738 0.020 . 2 . . . . . 10 LYS HD2 . 50088 1 114 . 1 . 1 10 10 LYS HD3 H 1 1.920 0.020 . 2 . . . . . 10 LYS HD3 . 50088 1 115 . 1 . 1 10 10 LYS HE2 H 1 3.057 0.020 . 2 . . . . . 10 LYS HE2 . 50088 1 116 . 1 . 1 10 10 LYS HE3 H 1 3.057 0.020 . 2 . . . . . 10 LYS HE3 . 50088 1 117 . 1 . 1 10 10 LYS C C 13 178.410 0.400 . 1 . . . . . 10 LYS C . 50088 1 118 . 1 . 1 10 10 LYS CA C 13 55.590 0.400 . 1 . . . . . 10 LYS CA . 50088 1 119 . 1 . 1 10 10 LYS CB C 13 32.171 0.400 . 1 . . . . . 10 LYS CB . 50088 1 120 . 1 . 1 10 10 LYS CG C 13 24.909 0.400 . 1 . . . . . 10 LYS CG . 50088 1 121 . 1 . 1 10 10 LYS CD C 13 28.398 0.400 . 1 . . . . . 10 LYS CD . 50088 1 122 . 1 . 1 10 10 LYS CE C 13 42.014 0.400 . 1 . . . . . 10 LYS CE . 50088 1 123 . 1 . 1 10 10 LYS N N 15 122.304 0.400 . 1 . . . . . 10 LYS N . 50088 1 124 . 1 . 1 11 11 ALA H H 1 8.782 0.020 . 1 . . . . . 11 ALA H . 50088 1 125 . 1 . 1 11 11 ALA HA H 1 3.820 0.020 . 1 . . . . . 11 ALA HA . 50088 1 126 . 1 . 1 11 11 ALA HB1 H 1 1.320 0.020 . 1 . . . . . 11 ALA HB1 . 50088 1 127 . 1 . 1 11 11 ALA HB2 H 1 1.320 0.020 . 1 . . . . . 11 ALA HB2 . 50088 1 128 . 1 . 1 11 11 ALA HB3 H 1 1.320 0.020 . 1 . . . . . 11 ALA HB3 . 50088 1 129 . 1 . 1 11 11 ALA C C 13 178.700 0.400 . 1 . . . . . 11 ALA C . 50088 1 130 . 1 . 1 11 11 ALA CA C 13 55.600 0.400 . 1 . . . . . 11 ALA CA . 50088 1 131 . 1 . 1 11 11 ALA CB C 13 18.150 0.400 . 1 . . . . . 11 ALA CB . 50088 1 132 . 1 . 1 11 11 ALA N N 15 128.144 0.400 . 1 . . . . . 11 ALA N . 50088 1 133 . 1 . 1 12 12 ALA H H 1 8.958 0.020 . 1 . . . . . 12 ALA H . 50088 1 134 . 1 . 1 12 12 ALA HA H 1 4.230 0.020 . 1 . . . . . 12 ALA HA . 50088 1 135 . 1 . 1 12 12 ALA HB1 H 1 1.520 0.020 . 1 . . . . . 12 ALA HB1 . 50088 1 136 . 1 . 1 12 12 ALA HB2 H 1 1.520 0.020 . 1 . . . . . 12 ALA HB2 . 50088 1 137 . 1 . 1 12 12 ALA HB3 H 1 1.520 0.020 . 1 . . . . . 12 ALA HB3 . 50088 1 138 . 1 . 1 12 12 ALA C C 13 180.230 0.400 . 1 . . . . . 12 ALA C . 50088 1 139 . 1 . 1 12 12 ALA CA C 13 55.030 0.400 . 1 . . . . . 12 ALA CA . 50088 1 140 . 1 . 1 12 12 ALA CB C 13 18.160 0.400 . 1 . . . . . 12 ALA CB . 50088 1 141 . 1 . 1 12 12 ALA N N 15 116.717 0.400 . 1 . . . . . 12 ALA N . 50088 1 142 . 1 . 1 13 13 ALA H H 1 6.904 0.020 . 1 . . . . . 13 ALA H . 50088 1 143 . 1 . 1 13 13 ALA HA H 1 4.230 0.020 . 1 . . . . . 13 ALA HA . 50088 1 144 . 1 . 1 13 13 ALA HB1 H 1 1.650 0.020 . 1 . . . . . 13 ALA HB1 . 50088 1 145 . 1 . 1 13 13 ALA HB2 H 1 1.650 0.020 . 1 . . . . . 13 ALA HB2 . 50088 1 146 . 1 . 1 13 13 ALA HB3 H 1 1.650 0.020 . 1 . . . . . 13 ALA HB3 . 50088 1 147 . 1 . 1 13 13 ALA C C 13 178.960 0.400 . 1 . . . . . 13 ALA C . 50088 1 148 . 1 . 1 13 13 ALA CA C 13 54.370 0.400 . 1 . . . . . 13 ALA CA . 50088 1 149 . 1 . 1 13 13 ALA CB C 13 18.550 0.400 . 1 . . . . . 13 ALA CB . 50088 1 150 . 1 . 1 13 13 ALA N N 15 120.308 0.400 . 1 . . . . . 13 ALA N . 50088 1 151 . 1 . 1 14 14 TYR H H 1 8.106 0.020 . 1 . . . . . 14 TYR H . 50088 1 152 . 1 . 1 14 14 TYR HA H 1 4.210 0.020 . 1 . . . . . 14 TYR HA . 50088 1 153 . 1 . 1 14 14 TYR HB2 H 1 2.692 0.020 . 2 . . . . . 14 TYR HB2 . 50088 1 154 . 1 . 1 14 14 TYR HB3 H 1 3.257 0.020 . 2 . . . . . 14 TYR HB3 . 50088 1 155 . 1 . 1 14 14 TYR HD1 H 1 7.207 0.020 . 1 . . . . . 14 TYR HD1 . 50088 1 156 . 1 . 1 14 14 TYR HD2 H 1 7.207 0.020 . 1 . . . . . 14 TYR HD2 . 50088 1 157 . 1 . 1 14 14 TYR HE1 H 1 6.779 0.020 . 1 . . . . . 14 TYR HE1 . 50088 1 158 . 1 . 1 14 14 TYR HE2 H 1 6.779 0.020 . 1 . . . . . 14 TYR HE2 . 50088 1 159 . 1 . 1 14 14 TYR C C 13 176.660 0.400 . 1 . . . . . 14 TYR C . 50088 1 160 . 1 . 1 14 14 TYR CA C 13 61.560 0.400 . 1 . . . . . 14 TYR CA . 50088 1 161 . 1 . 1 14 14 TYR CB C 13 37.631 0.400 . 1 . . . . . 14 TYR CB . 50088 1 162 . 1 . 1 14 14 TYR CD1 C 13 133.000 0.400 . 3 . . . . . 14 TYR CD1 . 50088 1 163 . 1 . 1 14 14 TYR CD2 C 13 133.000 0.400 . 3 . . . . . 14 TYR CD2 . 50088 1 164 . 1 . 1 14 14 TYR CE1 C 13 117.360 0.400 . 3 . . . . . 14 TYR CE1 . 50088 1 165 . 1 . 1 14 14 TYR N N 15 120.064 0.400 . 1 . . . . . 14 TYR N . 50088 1 166 . 1 . 1 15 15 ASN H H 1 8.779 0.020 . 1 . . . . . 15 ASN H . 50088 1 167 . 1 . 1 15 15 ASN HA H 1 4.440 0.020 . 1 . . . . . 15 ASN HA . 50088 1 168 . 1 . 1 15 15 ASN HB2 H 1 2.944 0.020 . 2 . . . . . 15 ASN HB2 . 50088 1 169 . 1 . 1 15 15 ASN HB3 H 1 2.944 0.020 . 2 . . . . . 15 ASN HB3 . 50088 1 170 . 1 . 1 15 15 ASN HD21 H 1 7.519 0.020 . 2 . . . . . 15 ASN HD21 . 50088 1 171 . 1 . 1 15 15 ASN HD22 H 1 7.519 0.020 . 2 . . . . . 15 ASN HD22 . 50088 1 172 . 1 . 1 15 15 ASN C C 13 179.270 0.400 . 1 . . . . . 15 ASN C . 50088 1 173 . 1 . 1 15 15 ASN CA C 13 55.320 0.400 . 1 . . . . . 15 ASN CA . 50088 1 174 . 1 . 1 15 15 ASN CB C 13 36.747 0.400 . 1 . . . . . 15 ASN CB . 50088 1 175 . 1 . 1 15 15 ASN N N 15 117.679 0.400 . 1 . . . . . 15 ASN N . 50088 1 176 . 1 . 1 15 15 ASN ND2 N 15 107.552 0.400 . 1 . . . . . 15 ASN ND2 . 50088 1 177 . 1 . 1 16 16 GLN H H 1 8.025 0.020 . 1 . . . . . 16 GLN H . 50088 1 178 . 1 . 1 16 16 GLN HA H 1 4.220 0.020 . 1 . . . . . 16 GLN HA . 50088 1 179 . 1 . 1 16 16 GLN HB2 H 1 2.279 0.020 . 2 . . . . . 16 GLN HB2 . 50088 1 180 . 1 . 1 16 16 GLN HB3 H 1 2.126 0.020 . 2 . . . . . 16 GLN HB3 . 50088 1 181 . 1 . 1 16 16 GLN HG2 H 1 2.428 0.020 . 2 . . . . . 16 GLN HG2 . 50088 1 182 . 1 . 1 16 16 GLN HG3 H 1 2.481 0.020 . 2 . . . . . 16 GLN HG3 . 50088 1 183 . 1 . 1 16 16 GLN HE21 H 1 7.340 0.020 . 2 . . . . . 16 GLN HE21 . 50088 1 184 . 1 . 1 16 16 GLN HE22 H 1 6.895 0.020 . 2 . . . . . 16 GLN HE22 . 50088 1 185 . 1 . 1 16 16 GLN C C 13 177.940 0.400 . 1 . . . . . 16 GLN C . 50088 1 186 . 1 . 1 16 16 GLN CA C 13 58.750 0.400 . 1 . . . . . 16 GLN CA . 50088 1 187 . 1 . 1 16 16 GLN CB C 13 28.200 0.400 . 1 . . . . . 16 GLN CB . 50088 1 188 . 1 . 1 16 16 GLN CG C 13 33.578 0.400 . 1 . . . . . 16 GLN CG . 50088 1 189 . 1 . 1 16 16 GLN N N 15 122.509 0.400 . 1 . . . . . 16 GLN N . 50088 1 190 . 1 . 1 16 16 GLN NE2 N 15 111.898 0.400 . 1 . . . . . 16 GLN NE2 . 50088 1 191 . 1 . 1 17 17 ALA H H 1 8.625 0.020 . 1 . . . . . 17 ALA H . 50088 1 192 . 1 . 1 17 17 ALA HA H 1 3.950 0.020 . 1 . . . . . 17 ALA HA . 50088 1 193 . 1 . 1 17 17 ALA HB1 H 1 1.540 0.020 . 1 . . . . . 17 ALA HB1 . 50088 1 194 . 1 . 1 17 17 ALA HB2 H 1 1.540 0.020 . 1 . . . . . 17 ALA HB2 . 50088 1 195 . 1 . 1 17 17 ALA HB3 H 1 1.540 0.020 . 1 . . . . . 17 ALA HB3 . 50088 1 196 . 1 . 1 17 17 ALA C C 13 178.830 0.400 . 1 . . . . . 17 ALA C . 50088 1 197 . 1 . 1 17 17 ALA CA C 13 55.130 0.400 . 1 . . . . . 17 ALA CA . 50088 1 198 . 1 . 1 17 17 ALA CB C 13 18.610 0.400 . 1 . . . . . 17 ALA CB . 50088 1 199 . 1 . 1 17 17 ALA N N 15 124.563 0.400 . 1 . . . . . 17 ALA N . 50088 1 200 . 1 . 1 18 18 ARG H H 1 8.829 0.020 . 1 . . . . . 18 ARG H . 50088 1 201 . 1 . 1 18 18 ARG HA H 1 3.560 0.020 . 1 . . . . . 18 ARG HA . 50088 1 202 . 1 . 1 18 18 ARG HB2 H 1 1.375 0.020 . 2 . . . . . 18 ARG HB2 . 50088 1 203 . 1 . 1 18 18 ARG HB3 H 1 1.667 0.020 . 2 . . . . . 18 ARG HB3 . 50088 1 204 . 1 . 1 18 18 ARG HG2 H 1 1.423 0.020 . 2 . . . . . 18 ARG HG2 . 50088 1 205 . 1 . 1 18 18 ARG HG3 H 1 1.259 0.020 . 2 . . . . . 18 ARG HG3 . 50088 1 206 . 1 . 1 18 18 ARG HD2 H 1 2.899 0.020 . 2 . . . . . 18 ARG HD2 . 50088 1 207 . 1 . 1 18 18 ARG HD3 H 1 3.087 0.020 . 2 . . . . . 18 ARG HD3 . 50088 1 208 . 1 . 1 18 18 ARG HE H 1 7.220 0.020 . 1 . . . . . 18 ARG HE . 50088 1 209 . 1 . 1 18 18 ARG HH11 H 1 6.579 0.020 . 2 . . . . . 18 ARG HH11 . 50088 1 210 . 1 . 1 18 18 ARG C C 13 177.720 0.400 . 1 . . . . . 18 ARG C . 50088 1 211 . 1 . 1 18 18 ARG CA C 13 60.080 0.400 . 1 . . . . . 18 ARG CA . 50088 1 212 . 1 . 1 18 18 ARG CB C 13 28.974 0.400 . 1 . . . . . 18 ARG CB . 50088 1 213 . 1 . 1 18 18 ARG CG C 13 26.393 0.400 . 1 . . . . . 18 ARG CG . 50088 1 214 . 1 . 1 18 18 ARG CD C 13 42.660 0.400 . 1 . . . . . 18 ARG CD . 50088 1 215 . 1 . 1 18 18 ARG N N 15 117.707 0.400 . 1 . . . . . 18 ARG N . 50088 1 216 . 1 . 1 18 18 ARG NE N 15 83.625 0.400 . 1 . . . . . 18 ARG NE . 50088 1 217 . 1 . 1 18 18 ARG NH1 N 15 71.471 0.400 . 1 . . . . . 18 ARG NH1 . 50088 1 218 . 1 . 1 19 19 SER H H 1 7.756 0.020 . 1 . . . . . 19 SER H . 50088 1 219 . 1 . 1 19 19 SER HA H 1 4.118 0.020 . 1 . . . . . 19 SER HA . 50088 1 220 . 1 . 1 19 19 SER HB2 H 1 4.040 0.020 . 2 . . . . . 19 SER HB2 . 50088 1 221 . 1 . 1 19 19 SER HB3 H 1 4.096 0.020 . 2 . . . . . 19 SER HB3 . 50088 1 222 . 1 . 1 19 19 SER C C 13 176.040 0.400 . 1 . . . . . 19 SER C . 50088 1 223 . 1 . 1 19 19 SER CA C 13 62.152 0.400 . 1 . . . . . 19 SER CA . 50088 1 224 . 1 . 1 19 19 SER CB C 13 62.823 0.400 . 1 . . . . . 19 SER CB . 50088 1 225 . 1 . 1 19 19 SER N N 15 114.926 0.400 . 1 . . . . . 19 SER N . 50088 1 226 . 1 . 1 20 20 THR H H 1 8.583 0.020 . 1 . . . . . 20 THR H . 50088 1 227 . 1 . 1 20 20 THR HA H 1 4.380 0.020 . 1 . . . . . 20 THR HA . 50088 1 228 . 1 . 1 20 20 THR HB H 1 3.940 0.020 . 1 . . . . . 20 THR HB . 50088 1 229 . 1 . 1 20 20 THR HG21 H 1 1.276 0.020 . 1 . . . . . 20 THR HG21 . 50088 1 230 . 1 . 1 20 20 THR HG22 H 1 1.276 0.020 . 1 . . . . . 20 THR HG22 . 50088 1 231 . 1 . 1 20 20 THR HG23 H 1 1.276 0.020 . 1 . . . . . 20 THR HG23 . 50088 1 232 . 1 . 1 20 20 THR C C 13 177.360 0.400 . 1 . . . . . 20 THR C . 50088 1 233 . 1 . 1 20 20 THR CA C 13 66.790 0.400 . 1 . . . . . 20 THR CA . 50088 1 234 . 1 . 1 20 20 THR CB C 13 69.010 0.400 . 1 . . . . . 20 THR CB . 50088 1 235 . 1 . 1 20 20 THR CG2 C 13 21.291 0.400 . 1 . . . . . 20 THR CG2 . 50088 1 236 . 1 . 1 20 20 THR N N 15 119.814 0.400 . 1 . . . . . 20 THR N . 50088 1 237 . 1 . 1 21 21 LEU H H 1 8.129 0.020 . 1 . . . . . 21 LEU H . 50088 1 238 . 1 . 1 21 21 LEU HA H 1 4.020 0.020 . 1 . . . . . 21 LEU HA . 50088 1 239 . 1 . 1 21 21 LEU HB2 H 1 1.059 0.020 . 2 . . . . . 21 LEU HB2 . 50088 1 240 . 1 . 1 21 21 LEU HB3 H 1 1.808 0.020 . 2 . . . . . 21 LEU HB3 . 50088 1 241 . 1 . 1 21 21 LEU HG H 1 1.713 0.020 . 1 . . . . . 21 LEU HG . 50088 1 242 . 1 . 1 21 21 LEU HD11 H 1 0.556 0.020 . 2 . . . . . 21 LEU HD11 . 50088 1 243 . 1 . 1 21 21 LEU HD12 H 1 0.556 0.020 . 2 . . . . . 21 LEU HD12 . 50088 1 244 . 1 . 1 21 21 LEU HD13 H 1 0.556 0.020 . 2 . . . . . 21 LEU HD13 . 50088 1 245 . 1 . 1 21 21 LEU HD21 H 1 0.717 0.020 . 2 . . . . . 21 LEU HD21 . 50088 1 246 . 1 . 1 21 21 LEU HD22 H 1 0.717 0.020 . 2 . . . . . 21 LEU HD22 . 50088 1 247 . 1 . 1 21 21 LEU HD23 H 1 0.717 0.020 . 2 . . . . . 21 LEU HD23 . 50088 1 248 . 1 . 1 21 21 LEU C C 13 178.760 0.400 . 1 . . . . . 21 LEU C . 50088 1 249 . 1 . 1 21 21 LEU CA C 13 57.900 0.400 . 1 . . . . . 21 LEU CA . 50088 1 250 . 1 . 1 21 21 LEU CB C 13 41.801 0.400 . 1 . . . . . 21 LEU CB . 50088 1 251 . 1 . 1 21 21 LEU CG C 13 26.293 0.400 . 1 . . . . . 21 LEU CG . 50088 1 252 . 1 . 1 21 21 LEU CD1 C 13 25.434 0.400 . 2 . . . . . 21 LEU CD1 . 50088 1 253 . 1 . 1 21 21 LEU CD2 C 13 22.954 0.400 . 2 . . . . . 21 LEU CD2 . 50088 1 254 . 1 . 1 21 21 LEU N N 15 120.661 0.400 . 1 . . . . . 21 LEU N . 50088 1 255 . 1 . 1 22 22 ALA H H 1 8.974 0.020 . 1 . . . . . 22 ALA H . 50088 1 256 . 1 . 1 22 22 ALA HA H 1 4.570 0.020 . 1 . . . . . 22 ALA HA . 50088 1 257 . 1 . 1 22 22 ALA HB1 H 1 1.440 0.020 . 1 . . . . . 22 ALA HB1 . 50088 1 258 . 1 . 1 22 22 ALA HB2 H 1 1.440 0.020 . 1 . . . . . 22 ALA HB2 . 50088 1 259 . 1 . 1 22 22 ALA HB3 H 1 1.440 0.020 . 1 . . . . . 22 ALA HB3 . 50088 1 260 . 1 . 1 22 22 ALA C C 13 181.960 0.400 . 1 . . . . . 22 ALA C . 50088 1 261 . 1 . 1 22 22 ALA CA C 13 55.100 0.400 . 1 . . . . . 22 ALA CA . 50088 1 262 . 1 . 1 22 22 ALA CB C 13 17.240 0.400 . 1 . . . . . 22 ALA CB . 50088 1 263 . 1 . 1 22 22 ALA N N 15 124.804 0.400 . 1 . . . . . 22 ALA N . 50088 1 264 . 1 . 1 23 23 ASP H H 1 8.958 0.020 . 1 . . . . . 23 ASP H . 50088 1 265 . 1 . 1 23 23 ASP HA H 1 4.510 0.020 . 1 . . . . . 23 ASP HA . 50088 1 266 . 1 . 1 23 23 ASP HB2 H 1 2.932 0.020 . 2 . . . . . 23 ASP HB2 . 50088 1 267 . 1 . 1 23 23 ASP HB3 H 1 3.019 0.020 . 2 . . . . . 23 ASP HB3 . 50088 1 268 . 1 . 1 23 23 ASP C C 13 176.300 0.400 . 1 . . . . . 23 ASP C . 50088 1 269 . 1 . 1 23 23 ASP CA C 13 55.560 0.400 . 1 . . . . . 23 ASP CA . 50088 1 270 . 1 . 1 23 23 ASP CB C 13 37.846 0.400 . 1 . . . . . 23 ASP CB . 50088 1 271 . 1 . 1 23 23 ASP N N 15 119.432 0.400 . 1 . . . . . 23 ASP N . 50088 1 272 . 1 . 1 24 24 ALA H H 1 7.407 0.020 . 1 . . . . . 24 ALA H . 50088 1 273 . 1 . 1 24 24 ALA HA H 1 4.550 0.020 . 1 . . . . . 24 ALA HA . 50088 1 274 . 1 . 1 24 24 ALA HB1 H 1 1.600 0.020 . 1 . . . . . 24 ALA HB1 . 50088 1 275 . 1 . 1 24 24 ALA HB2 H 1 1.600 0.020 . 1 . . . . . 24 ALA HB2 . 50088 1 276 . 1 . 1 24 24 ALA HB3 H 1 1.600 0.020 . 1 . . . . . 24 ALA HB3 . 50088 1 277 . 1 . 1 24 24 ALA C C 13 176.250 0.400 . 1 . . . . . 24 ALA C . 50088 1 278 . 1 . 1 24 24 ALA CA C 13 51.710 0.400 . 1 . . . . . 24 ALA CA . 50088 1 279 . 1 . 1 24 24 ALA CB C 13 19.190 0.400 . 1 . . . . . 24 ALA CB . 50088 1 280 . 1 . 1 24 24 ALA N N 15 119.996 0.400 . 1 . . . . . 24 ALA N . 50088 1 281 . 1 . 1 25 25 GLY H H 1 7.819 0.020 . 1 . . . . . 25 GLY H . 50088 1 282 . 1 . 1 25 25 GLY HA2 H 1 4.860 0.020 . 2 . . . . . 25 GLY HA2 . 50088 1 283 . 1 . 1 25 25 GLY HA3 H 1 3.860 0.020 . 2 . . . . . 25 GLY HA3 . 50088 1 284 . 1 . 1 25 25 GLY C C 13 175.180 0.400 . 1 . . . . . 25 GLY C . 50088 1 285 . 1 . 1 25 25 GLY CA C 13 44.920 0.400 . 1 . . . . . 25 GLY CA . 50088 1 286 . 1 . 1 25 25 GLY N N 15 104.205 0.400 . 1 . . . . . 25 GLY N . 50088 1 287 . 1 . 1 26 26 SER H H 1 8.315 0.020 . 1 . . . . . 26 SER H . 50088 1 288 . 1 . 1 26 26 SER HA H 1 4.582 0.020 . 1 . . . . . 26 SER HA . 50088 1 289 . 1 . 1 26 26 SER HB2 H 1 3.445 0.020 . 2 . . . . . 26 SER HB2 . 50088 1 290 . 1 . 1 26 26 SER HB3 H 1 3.445 0.020 . 2 . . . . . 26 SER HB3 . 50088 1 291 . 1 . 1 26 26 SER C C 13 175.740 0.400 . 1 . . . . . 26 SER C . 50088 1 292 . 1 . 1 26 26 SER CA C 13 56.945 0.400 . 1 . . . . . 26 SER CA . 50088 1 293 . 1 . 1 26 26 SER CB C 13 62.645 0.400 . 1 . . . . . 26 SER CB . 50088 1 294 . 1 . 1 26 26 SER N N 15 113.894 0.400 . 1 . . . . . 26 SER N . 50088 1 295 . 1 . 1 27 27 ARG H H 1 11.398 0.020 . 1 . . . . . 27 ARG H . 50088 1 296 . 1 . 1 27 27 ARG HA H 1 4.241 0.020 . 1 . . . . . 27 ARG HA . 50088 1 297 . 1 . 1 27 27 ARG HB2 H 1 1.967 0.020 . 2 . . . . . 27 ARG HB2 . 50088 1 298 . 1 . 1 27 27 ARG HB3 H 1 1.906 0.020 . 2 . . . . . 27 ARG HB3 . 50088 1 299 . 1 . 1 27 27 ARG HG2 H 1 1.867 0.020 . 2 . . . . . 27 ARG HG2 . 50088 1 300 . 1 . 1 27 27 ARG HG3 H 1 1.777 0.020 . 2 . . . . . 27 ARG HG3 . 50088 1 301 . 1 . 1 27 27 ARG HD2 H 1 3.271 0.020 . 2 . . . . . 27 ARG HD2 . 50088 1 302 . 1 . 1 27 27 ARG HD3 H 1 3.271 0.020 . 2 . . . . . 27 ARG HD3 . 50088 1 303 . 1 . 1 27 27 ARG HE H 1 7.234 0.020 . 1 . . . . . 27 ARG HE . 50088 1 304 . 1 . 1 27 27 ARG C C 13 180.100 0.400 . 1 . . . . . 27 ARG C . 50088 1 305 . 1 . 1 27 27 ARG CA C 13 58.249 0.400 . 1 . . . . . 27 ARG CA . 50088 1 306 . 1 . 1 27 27 ARG CB C 13 29.654 0.400 . 1 . . . . . 27 ARG CB . 50088 1 307 . 1 . 1 27 27 ARG CG C 13 27.581 0.400 . 1 . . . . . 27 ARG CG . 50088 1 308 . 1 . 1 27 27 ARG CD C 13 42.916 0.400 . 1 . . . . . 27 ARG CD . 50088 1 309 . 1 . 1 27 27 ARG N N 15 106.450 0.400 . 1 . . . . . 27 ARG N . 50088 1 310 . 1 . 1 27 27 ARG NE N 15 84.991 0.400 . 1 . . . . . 27 ARG NE . 50088 1 311 . 1 . 1 28 28 THR H H 1 9.261 0.020 . 1 . . . . . 28 THR H . 50088 1 312 . 1 . 1 28 28 THR HA H 1 3.870 0.020 . 1 . . . . . 28 THR HA . 50088 1 313 . 1 . 1 28 28 THR HB H 1 4.370 0.020 . 1 . . . . . 28 THR HB . 50088 1 314 . 1 . 1 28 28 THR HG21 H 1 1.203 0.020 . 1 . . . . . 28 THR HG21 . 50088 1 315 . 1 . 1 28 28 THR HG22 H 1 1.203 0.020 . 1 . . . . . 28 THR HG22 . 50088 1 316 . 1 . 1 28 28 THR HG23 H 1 1.203 0.020 . 1 . . . . . 28 THR HG23 . 50088 1 317 . 1 . 1 28 28 THR C C 13 178.320 0.400 . 1 . . . . . 28 THR C . 50088 1 318 . 1 . 1 28 28 THR CA C 13 65.470 0.400 . 1 . . . . . 28 THR CA . 50088 1 319 . 1 . 1 28 28 THR CB C 13 68.290 0.400 . 1 . . . . . 28 THR CB . 50088 1 320 . 1 . 1 28 28 THR CG2 C 13 21.867 0.400 . 1 . . . . . 28 THR CG2 . 50088 1 321 . 1 . 1 28 28 THR N N 15 114.151 0.400 . 1 . . . . . 28 THR N . 50088 1 322 . 1 . 1 29 29 ALA H H 1 8.143 0.020 . 1 . . . . . 29 ALA H . 50088 1 323 . 1 . 1 29 29 ALA HA H 1 3.870 0.020 . 1 . . . . . 29 ALA HA . 50088 1 324 . 1 . 1 29 29 ALA HB1 H 1 1.330 0.020 . 1 . . . . . 29 ALA HB1 . 50088 1 325 . 1 . 1 29 29 ALA HB2 H 1 1.330 0.020 . 1 . . . . . 29 ALA HB2 . 50088 1 326 . 1 . 1 29 29 ALA HB3 H 1 1.330 0.020 . 1 . . . . . 29 ALA HB3 . 50088 1 327 . 1 . 1 29 29 ALA C C 13 179.610 0.400 . 1 . . . . . 29 ALA C . 50088 1 328 . 1 . 1 29 29 ALA CA C 13 54.900 0.400 . 1 . . . . . 29 ALA CA . 50088 1 329 . 1 . 1 29 29 ALA CB C 13 19.180 0.400 . 1 . . . . . 29 ALA CB . 50088 1 330 . 1 . 1 29 29 ALA N N 15 126.249 0.400 . 1 . . . . . 29 ALA N . 50088 1 331 . 1 . 1 30 30 ALA H H 1 7.488 0.020 . 1 . . . . . 30 ALA H . 50088 1 332 . 1 . 1 30 30 ALA HA H 1 3.920 0.020 . 1 . . . . . 30 ALA HA . 50088 1 333 . 1 . 1 30 30 ALA HB1 H 1 1.580 0.020 . 1 . . . . . 30 ALA HB1 . 50088 1 334 . 1 . 1 30 30 ALA HB2 H 1 1.580 0.020 . 1 . . . . . 30 ALA HB2 . 50088 1 335 . 1 . 1 30 30 ALA HB3 H 1 1.580 0.020 . 1 . . . . . 30 ALA HB3 . 50088 1 336 . 1 . 1 30 30 ALA C C 13 178.780 0.400 . 1 . . . . . 30 ALA C . 50088 1 337 . 1 . 1 30 30 ALA CA C 13 54.650 0.400 . 1 . . . . . 30 ALA CA . 50088 1 338 . 1 . 1 30 30 ALA CB C 13 18.480 0.400 . 1 . . . . . 30 ALA CB . 50088 1 339 . 1 . 1 30 30 ALA N N 15 118.517 0.400 . 1 . . . . . 30 ALA N . 50088 1 340 . 1 . 1 31 31 LYS H H 1 7.600 0.020 . 1 . . . . . 31 LYS H . 50088 1 341 . 1 . 1 31 31 LYS HA H 1 4.190 0.020 . 1 . . . . . 31 LYS HA . 50088 1 342 . 1 . 1 31 31 LYS HB2 H 1 1.842 0.020 . 2 . . . . . 31 LYS HB2 . 50088 1 343 . 1 . 1 31 31 LYS HB3 H 1 1.904 0.020 . 2 . . . . . 31 LYS HB3 . 50088 1 344 . 1 . 1 31 31 LYS HG2 H 1 1.545 0.020 . 2 . . . . . 31 LYS HG2 . 50088 1 345 . 1 . 1 31 31 LYS HG3 H 1 1.585 0.020 . 2 . . . . . 31 LYS HG3 . 50088 1 346 . 1 . 1 31 31 LYS HD2 H 1 1.636 0.020 . 2 . . . . . 31 LYS HD2 . 50088 1 347 . 1 . 1 31 31 LYS HD3 H 1 1.636 0.020 . 2 . . . . . 31 LYS HD3 . 50088 1 348 . 1 . 1 31 31 LYS HE2 H 1 3.005 0.020 . 2 . . . . . 31 LYS HE2 . 50088 1 349 . 1 . 1 31 31 LYS HE3 H 1 3.005 0.020 . 2 . . . . . 31 LYS HE3 . 50088 1 350 . 1 . 1 31 31 LYS C C 13 177.900 0.400 . 1 . . . . . 31 LYS C . 50088 1 351 . 1 . 1 31 31 LYS CA C 13 56.700 0.400 . 1 . . . . . 31 LYS CA . 50088 1 352 . 1 . 1 31 31 LYS CB C 13 32.707 0.400 . 1 . . . . . 31 LYS CB . 50088 1 353 . 1 . 1 31 31 LYS CG C 13 25.052 0.400 . 1 . . . . . 31 LYS CG . 50088 1 354 . 1 . 1 31 31 LYS CD C 13 28.987 0.400 . 1 . . . . . 31 LYS CD . 50088 1 355 . 1 . 1 31 31 LYS CE C 13 41.977 0.400 . 1 . . . . . 31 LYS CE . 50088 1 356 . 1 . 1 31 31 LYS N N 15 114.835 0.400 . 1 . . . . . 31 LYS N . 50088 1 357 . 1 . 1 32 32 SER H H 1 7.364 0.020 . 1 . . . . . 32 SER H . 50088 1 358 . 1 . 1 32 32 SER HA H 1 4.360 0.020 . 1 . . . . . 32 SER HA . 50088 1 359 . 1 . 1 32 32 SER HB2 H 1 3.997 0.020 . 2 . . . . . 32 SER HB2 . 50088 1 360 . 1 . 1 32 32 SER HB3 H 1 4.044 0.020 . 2 . . . . . 32 SER HB3 . 50088 1 361 . 1 . 1 32 32 SER C C 13 173.630 0.400 . 1 . . . . . 32 SER C . 50088 1 362 . 1 . 1 32 32 SER CA C 13 59.270 0.400 . 1 . . . . . 32 SER CA . 50088 1 363 . 1 . 1 32 32 SER CB C 13 63.483 0.400 . 1 . . . . . 32 SER CB . 50088 1 364 . 1 . 1 32 32 SER N N 15 117.384 0.400 . 1 . . . . . 32 SER N . 50088 1 365 . 1 . 1 33 33 HIS H H 1 8.869 0.020 . 1 . . . . . 33 HIS H . 50088 1 366 . 1 . 1 33 33 HIS HA H 1 5.109 0.020 . 1 . . . . . 33 HIS HA . 50088 1 367 . 1 . 1 33 33 HIS HB2 H 1 3.182 0.020 . 2 . . . . . 33 HIS HB2 . 50088 1 368 . 1 . 1 33 33 HIS HB3 H 1 3.329 0.020 . 2 . . . . . 33 HIS HB3 . 50088 1 369 . 1 . 1 33 33 HIS HD2 H 1 7.434 0.020 . 1 . . . . . 33 HIS HD2 . 50088 1 370 . 1 . 1 33 33 HIS C C 13 173.150 0.400 . 1 . . . . . 33 HIS C . 50088 1 371 . 1 . 1 33 33 HIS CA C 13 52.794 0.400 . 1 . . . . . 33 HIS CA . 50088 1 372 . 1 . 1 33 33 HIS CB C 13 28.311 0.400 . 1 . . . . . 33 HIS CB . 50088 1 373 . 1 . 1 33 33 HIS CD2 C 13 119.470 0.400 . 1 . . . . . 33 HIS CD2 . 50088 1 374 . 1 . 1 33 33 HIS N N 15 121.835 0.400 . 1 . . . . . 33 HIS N . 50088 1 375 . 1 . 1 34 34 PRO HA H 1 4.560 0.020 . 1 . . . . . 34 PRO HA . 50088 1 376 . 1 . 1 34 34 PRO HB2 H 1 1.633 0.020 . 2 . . . . . 34 PRO HB2 . 50088 1 377 . 1 . 1 34 34 PRO HB3 H 1 2.234 0.020 . 2 . . . . . 34 PRO HB3 . 50088 1 378 . 1 . 1 34 34 PRO HG2 H 1 1.967 0.020 . 2 . . . . . 34 PRO HG2 . 50088 1 379 . 1 . 1 34 34 PRO HG3 H 1 2.055 0.020 . 2 . . . . . 34 PRO HG3 . 50088 1 380 . 1 . 1 34 34 PRO HD2 H 1 3.771 0.020 . 2 . . . . . 34 PRO HD2 . 50088 1 381 . 1 . 1 34 34 PRO HD3 H 1 3.844 0.020 . 2 . . . . . 34 PRO HD3 . 50088 1 382 . 1 . 1 34 34 PRO C C 13 176.100 0.400 . 1 . . . . . 34 PRO C . 50088 1 383 . 1 . 1 34 34 PRO CA C 13 62.580 0.400 . 1 . . . . . 34 PRO CA . 50088 1 384 . 1 . 1 34 34 PRO CB C 13 31.989 0.400 . 1 . . . . . 34 PRO CB . 50088 1 385 . 1 . 1 34 34 PRO CG C 13 27.168 0.400 . 1 . . . . . 34 PRO CG . 50088 1 386 . 1 . 1 34 34 PRO CD C 13 50.522 0.400 . 1 . . . . . 34 PRO CD . 50088 1 387 . 1 . 1 35 35 ILE H H 1 9.930 0.020 . 1 . . . . . 35 ILE H . 50088 1 388 . 1 . 1 35 35 ILE HA H 1 4.190 0.020 . 1 . . . . . 35 ILE HA . 50088 1 389 . 1 . 1 35 35 ILE HB H 1 1.748 0.020 . 1 . . . . . 35 ILE HB . 50088 1 390 . 1 . 1 35 35 ILE HG12 H 1 1.302 0.020 . 2 . . . . . 35 ILE HG12 . 50088 1 391 . 1 . 1 35 35 ILE HG13 H 1 1.329 0.020 . 2 . . . . . 35 ILE HG13 . 50088 1 392 . 1 . 1 35 35 ILE HG21 H 1 0.745 0.020 . 1 . . . . . 35 ILE HG21 . 50088 1 393 . 1 . 1 35 35 ILE HG22 H 1 0.745 0.020 . 1 . . . . . 35 ILE HG22 . 50088 1 394 . 1 . 1 35 35 ILE HG23 H 1 0.745 0.020 . 1 . . . . . 35 ILE HG23 . 50088 1 395 . 1 . 1 35 35 ILE HD11 H 1 0.326 0.020 . 1 . . . . . 35 ILE HD11 . 50088 1 396 . 1 . 1 35 35 ILE HD12 H 1 0.326 0.020 . 1 . . . . . 35 ILE HD12 . 50088 1 397 . 1 . 1 35 35 ILE HD13 H 1 0.326 0.020 . 1 . . . . . 35 ILE HD13 . 50088 1 398 . 1 . 1 35 35 ILE C C 13 176.290 0.400 . 1 . . . . . 35 ILE C . 50088 1 399 . 1 . 1 35 35 ILE CA C 13 60.310 0.400 . 1 . . . . . 35 ILE CA . 50088 1 400 . 1 . 1 35 35 ILE CB C 13 38.063 0.400 . 1 . . . . . 35 ILE CB . 50088 1 401 . 1 . 1 35 35 ILE CG1 C 13 27.233 0.400 . 1 . . . . . 35 ILE CG1 . 50088 1 402 . 1 . 1 35 35 ILE CG2 C 13 17.826 0.400 . 1 . . . . . 35 ILE CG2 . 50088 1 403 . 1 . 1 35 35 ILE CD1 C 13 11.577 0.400 . 1 . . . . . 35 ILE CD1 . 50088 1 404 . 1 . 1 35 35 ILE N N 15 123.893 0.400 . 1 . . . . . 35 ILE N . 50088 1 405 . 1 . 1 36 36 HIS H H 1 8.883 0.020 . 1 . . . . . 36 HIS H . 50088 1 406 . 1 . 1 36 36 HIS HA H 1 5.030 0.020 . 1 . . . . . 36 HIS HA . 50088 1 407 . 1 . 1 36 36 HIS HB2 H 1 3.156 0.020 . 2 . . . . . 36 HIS HB2 . 50088 1 408 . 1 . 1 36 36 HIS HB3 H 1 3.286 0.020 . 2 . . . . . 36 HIS HB3 . 50088 1 409 . 1 . 1 36 36 HIS HD2 H 1 7.316 0.020 . 1 . . . . . 36 HIS HD2 . 50088 1 410 . 1 . 1 36 36 HIS C C 13 174.400 0.400 . 1 . . . . . 36 HIS C . 50088 1 411 . 1 . 1 36 36 HIS CA C 13 54.250 0.400 . 1 . . . . . 36 HIS CA . 50088 1 412 . 1 . 1 36 36 HIS CB C 13 30.768 0.400 . 1 . . . . . 36 HIS CB . 50088 1 413 . 1 . 1 36 36 HIS CD2 C 13 119.470 0.400 . 1 . . . . . 36 HIS CD2 . 50088 1 414 . 1 . 1 36 36 HIS N N 15 125.201 0.400 . 1 . . . . . 36 HIS N . 50088 1 415 . 1 . 1 37 37 GLY H H 1 8.793 0.020 . 1 . . . . . 37 GLY H . 50088 1 416 . 1 . 1 37 37 GLY HA2 H 1 4.160 0.020 . 2 . . . . . 37 GLY HA2 . 50088 1 417 . 1 . 1 37 37 GLY HA3 H 1 3.790 0.020 . 2 . . . . . 37 GLY HA3 . 50088 1 418 . 1 . 1 37 37 GLY C C 13 173.320 0.400 . 1 . . . . . 37 GLY C . 50088 1 419 . 1 . 1 37 37 GLY CA C 13 45.810 0.400 . 1 . . . . . 37 GLY CA . 50088 1 420 . 1 . 1 37 37 GLY N N 15 110.589 0.400 . 1 . . . . . 37 GLY N . 50088 1 421 . 1 . 1 38 38 LYS H H 1 7.458 0.020 . 1 . . . . . 38 LYS H . 50088 1 422 . 1 . 1 38 38 LYS HA H 1 4.660 0.020 . 1 . . . . . 38 LYS HA . 50088 1 423 . 1 . 1 38 38 LYS HB2 H 1 1.412 0.020 . 2 . . . . . 38 LYS HB2 . 50088 1 424 . 1 . 1 38 38 LYS HB3 H 1 1.888 0.020 . 2 . . . . . 38 LYS HB3 . 50088 1 425 . 1 . 1 38 38 LYS HG2 H 1 1.401 0.020 . 2 . . . . . 38 LYS HG2 . 50088 1 426 . 1 . 1 38 38 LYS HG3 H 1 1.401 0.020 . 2 . . . . . 38 LYS HG3 . 50088 1 427 . 1 . 1 38 38 LYS HD2 H 1 1.767 0.020 . 2 . . . . . 38 LYS HD2 . 50088 1 428 . 1 . 1 38 38 LYS HD3 H 1 1.767 0.020 . 2 . . . . . 38 LYS HD3 . 50088 1 429 . 1 . 1 38 38 LYS HE2 H 1 3.100 0.020 . 2 . . . . . 38 LYS HE2 . 50088 1 430 . 1 . 1 38 38 LYS HE3 H 1 3.100 0.020 . 2 . . . . . 38 LYS HE3 . 50088 1 431 . 1 . 1 38 38 LYS C C 13 176.040 0.400 . 1 . . . . . 38 LYS C . 50088 1 432 . 1 . 1 38 38 LYS CA C 13 54.660 0.400 . 1 . . . . . 38 LYS CA . 50088 1 433 . 1 . 1 38 38 LYS CB C 13 35.111 0.400 . 1 . . . . . 38 LYS CB . 50088 1 434 . 1 . 1 38 38 LYS CG C 13 24.347 0.400 . 1 . . . . . 38 LYS CG . 50088 1 435 . 1 . 1 38 38 LYS CD C 13 28.946 0.400 . 1 . . . . . 38 LYS CD . 50088 1 436 . 1 . 1 38 38 LYS CE C 13 42.010 0.400 . 1 . . . . . 38 LYS CE . 50088 1 437 . 1 . 1 38 38 LYS N N 15 117.315 0.400 . 1 . . . . . 38 LYS N . 50088 1 438 . 1 . 1 39 39 THR H H 1 8.550 0.020 . 1 . . . . . 39 THR H . 50088 1 439 . 1 . 1 39 39 THR HA H 1 4.290 0.020 . 1 . . . . . 39 THR HA . 50088 1 440 . 1 . 1 39 39 THR HB H 1 4.200 0.020 . 1 . . . . . 39 THR HB . 50088 1 441 . 1 . 1 39 39 THR HG21 H 1 1.302 0.020 . 1 . . . . . 39 THR HG21 . 50088 1 442 . 1 . 1 39 39 THR HG22 H 1 1.302 0.020 . 1 . . . . . 39 THR HG22 . 50088 1 443 . 1 . 1 39 39 THR HG23 H 1 1.302 0.020 . 1 . . . . . 39 THR HG23 . 50088 1 444 . 1 . 1 39 39 THR C C 13 174.900 0.400 . 1 . . . . . 39 THR C . 50088 1 445 . 1 . 1 39 39 THR CA C 13 63.950 0.400 . 1 . . . . . 39 THR CA . 50088 1 446 . 1 . 1 39 39 THR CB C 13 69.200 0.400 . 1 . . . . . 39 THR CB . 50088 1 447 . 1 . 1 39 39 THR CG2 C 13 21.761 0.400 . 1 . . . . . 39 THR CG2 . 50088 1 448 . 1 . 1 39 39 THR N N 15 114.966 0.400 . 1 . . . . . 39 THR N . 50088 1 449 . 1 . 1 40 40 ASP H H 1 8.140 0.020 . 1 . . . . . 40 ASP H . 50088 1 450 . 1 . 1 40 40 ASP HA H 1 5.450 0.020 . 1 . . . . . 40 ASP HA . 50088 1 451 . 1 . 1 40 40 ASP HB2 H 1 2.482 0.020 . 2 . . . . . 40 ASP HB2 . 50088 1 452 . 1 . 1 40 40 ASP HB3 H 1 2.550 0.020 . 2 . . . . . 40 ASP HB3 . 50088 1 453 . 1 . 1 40 40 ASP C C 13 173.880 0.400 . 1 . . . . . 40 ASP C . 50088 1 454 . 1 . 1 40 40 ASP CA C 13 52.940 0.400 . 1 . . . . . 40 ASP CA . 50088 1 455 . 1 . 1 40 40 ASP CB C 13 42.895 0.400 . 1 . . . . . 40 ASP CB . 50088 1 456 . 1 . 1 40 40 ASP N N 15 121.785 0.400 . 1 . . . . . 40 ASP N . 50088 1 457 . 1 . 1 41 41 VAL H H 1 9.132 0.020 . 1 . . . . . 41 VAL H . 50088 1 458 . 1 . 1 41 41 VAL HA H 1 4.740 0.020 . 1 . . . . . 41 VAL HA . 50088 1 459 . 1 . 1 41 41 VAL HB H 1 1.658 0.020 . 1 . . . . . 41 VAL HB . 50088 1 460 . 1 . 1 41 41 VAL HG11 H 1 0.571 0.020 . 2 . . . . . 41 VAL HG11 . 50088 1 461 . 1 . 1 41 41 VAL HG12 H 1 0.571 0.020 . 2 . . . . . 41 VAL HG12 . 50088 1 462 . 1 . 1 41 41 VAL HG13 H 1 0.571 0.020 . 2 . . . . . 41 VAL HG13 . 50088 1 463 . 1 . 1 41 41 VAL HG21 H 1 0.413 0.020 . 2 . . . . . 41 VAL HG21 . 50088 1 464 . 1 . 1 41 41 VAL HG22 H 1 0.413 0.020 . 2 . . . . . 41 VAL HG22 . 50088 1 465 . 1 . 1 41 41 VAL HG23 H 1 0.413 0.020 . 2 . . . . . 41 VAL HG23 . 50088 1 466 . 1 . 1 41 41 VAL C C 13 172.250 0.400 . 1 . . . . . 41 VAL C . 50088 1 467 . 1 . 1 41 41 VAL CA C 13 57.780 0.400 . 1 . . . . . 41 VAL CA . 50088 1 468 . 1 . 1 41 41 VAL CB C 13 32.681 0.400 . 1 . . . . . 41 VAL CB . 50088 1 469 . 1 . 1 41 41 VAL CG1 C 13 22.524 0.400 . 2 . . . . . 41 VAL CG1 . 50088 1 470 . 1 . 1 41 41 VAL CG2 C 13 17.705 0.400 . 2 . . . . . 41 VAL CG2 . 50088 1 471 . 1 . 1 41 41 VAL N N 15 113.361 0.400 . 1 . . . . . 41 VAL N . 50088 1 472 . 1 . 1 42 42 PRO HA H 1 4.510 0.020 . 1 . . . . . 42 PRO HA . 50088 1 473 . 1 . 1 42 42 PRO HB2 H 1 2.033 0.020 . 2 . . . . . 42 PRO HB2 . 50088 1 474 . 1 . 1 42 42 PRO HB3 H 1 2.589 0.020 . 2 . . . . . 42 PRO HB3 . 50088 1 475 . 1 . 1 42 42 PRO HG2 H 1 2.108 0.020 . 2 . . . . . 42 PRO HG2 . 50088 1 476 . 1 . 1 42 42 PRO HG3 H 1 2.043 0.020 . 2 . . . . . 42 PRO HG3 . 50088 1 477 . 1 . 1 42 42 PRO HD2 H 1 2.995 0.020 . 2 . . . . . 42 PRO HD2 . 50088 1 478 . 1 . 1 42 42 PRO HD3 H 1 3.707 0.020 . 2 . . . . . 42 PRO HD3 . 50088 1 479 . 1 . 1 42 42 PRO C C 13 177.560 0.400 . 1 . . . . . 42 PRO C . 50088 1 480 . 1 . 1 42 42 PRO CA C 13 63.280 0.400 . 1 . . . . . 42 PRO CA . 50088 1 481 . 1 . 1 42 42 PRO CB C 13 32.487 0.400 . 1 . . . . . 42 PRO CB . 50088 1 482 . 1 . 1 42 42 PRO CG C 13 27.711 0.400 . 1 . . . . . 42 PRO CG . 50088 1 483 . 1 . 1 42 42 PRO CD C 13 50.268 0.400 . 1 . . . . . 42 PRO CD . 50088 1 484 . 1 . 1 43 43 VAL H H 1 7.909 0.020 . 1 . . . . . 43 VAL H . 50088 1 485 . 1 . 1 43 43 VAL HA H 1 3.930 0.020 . 1 . . . . . 43 VAL HA . 50088 1 486 . 1 . 1 43 43 VAL HB H 1 1.915 0.020 . 1 . . . . . 43 VAL HB . 50088 1 487 . 1 . 1 43 43 VAL HG11 H 1 1.145 0.020 . 2 . . . . . 43 VAL HG11 . 50088 1 488 . 1 . 1 43 43 VAL HG12 H 1 1.145 0.020 . 2 . . . . . 43 VAL HG12 . 50088 1 489 . 1 . 1 43 43 VAL HG13 H 1 1.145 0.020 . 2 . . . . . 43 VAL HG13 . 50088 1 490 . 1 . 1 43 43 VAL HG21 H 1 1.106 0.020 . 2 . . . . . 43 VAL HG21 . 50088 1 491 . 1 . 1 43 43 VAL HG22 H 1 1.106 0.020 . 2 . . . . . 43 VAL HG22 . 50088 1 492 . 1 . 1 43 43 VAL HG23 H 1 1.106 0.020 . 2 . . . . . 43 VAL HG23 . 50088 1 493 . 1 . 1 43 43 VAL C C 13 176.250 0.400 . 1 . . . . . 43 VAL C . 50088 1 494 . 1 . 1 43 43 VAL CA C 13 64.900 0.400 . 1 . . . . . 43 VAL CA . 50088 1 495 . 1 . 1 43 43 VAL CB C 13 31.949 0.400 . 1 . . . . . 43 VAL CB . 50088 1 496 . 1 . 1 43 43 VAL CG1 C 13 19.387 0.400 . 2 . . . . . 43 VAL CG1 . 50088 1 497 . 1 . 1 43 43 VAL CG2 C 13 22.497 0.400 . 2 . . . . . 43 VAL CG2 . 50088 1 498 . 1 . 1 43 43 VAL N N 15 122.834 0.400 . 1 . . . . . 43 VAL N . 50088 1 499 . 1 . 1 44 44 SER H H 1 8.279 0.020 . 1 . . . . . 44 SER H . 50088 1 500 . 1 . 1 44 44 SER HA H 1 4.620 0.020 . 1 . . . . . 44 SER HA . 50088 1 501 . 1 . 1 44 44 SER HB2 H 1 3.982 0.020 . 2 . . . . . 44 SER HB2 . 50088 1 502 . 1 . 1 44 44 SER HB3 H 1 3.982 0.020 . 2 . . . . . 44 SER HB3 . 50088 1 503 . 1 . 1 44 44 SER C C 13 177.200 0.400 . 1 . . . . . 44 SER C . 50088 1 504 . 1 . 1 44 44 SER CA C 13 60.080 0.400 . 1 . . . . . 44 SER CA . 50088 1 505 . 1 . 1 44 44 SER CB C 13 61.739 0.400 . 1 . . . . . 44 SER CB . 50088 1 506 . 1 . 1 44 44 SER N N 15 116.963 0.400 . 1 . . . . . 44 SER N . 50088 1 507 . 1 . 1 45 45 TYR H H 1 8.267 0.020 . 1 . . . . . 45 TYR H . 50088 1 508 . 1 . 1 45 45 TYR HA H 1 4.320 0.020 . 1 . . . . . 45 TYR HA . 50088 1 509 . 1 . 1 45 45 TYR HB2 H 1 2.737 0.020 . 2 . . . . . 45 TYR HB2 . 50088 1 510 . 1 . 1 45 45 TYR HB3 H 1 3.020 0.020 . 2 . . . . . 45 TYR HB3 . 50088 1 511 . 1 . 1 45 45 TYR HD1 H 1 6.906 0.020 . 1 . . . . . 45 TYR HD1 . 50088 1 512 . 1 . 1 45 45 TYR HD2 H 1 6.906 0.020 . 1 . . . . . 45 TYR HD2 . 50088 1 513 . 1 . 1 45 45 TYR HE1 H 1 6.829 0.020 . 1 . . . . . 45 TYR HE1 . 50088 1 514 . 1 . 1 45 45 TYR HE2 H 1 6.829 0.020 . 1 . . . . . 45 TYR HE2 . 50088 1 515 . 1 . 1 45 45 TYR C C 13 179.660 0.400 . 1 . . . . . 45 TYR C . 50088 1 516 . 1 . 1 45 45 TYR CA C 13 61.340 0.400 . 1 . . . . . 45 TYR CA . 50088 1 517 . 1 . 1 45 45 TYR CB C 13 36.873 0.400 . 1 . . . . . 45 TYR CB . 50088 1 518 . 1 . 1 45 45 TYR CD1 C 13 131.726 0.400 . 3 . . . . . 45 TYR CD1 . 50088 1 519 . 1 . 1 45 45 TYR CD2 C 13 131.726 0.400 . 3 . . . . . 45 TYR CD2 . 50088 1 520 . 1 . 1 45 45 TYR CE1 C 13 117.457 0.400 . 3 . . . . . 45 TYR CE1 . 50088 1 521 . 1 . 1 45 45 TYR CE2 C 13 117.457 0.400 . 3 . . . . . 45 TYR CE2 . 50088 1 522 . 1 . 1 45 45 TYR N N 15 123.131 0.400 . 1 . . . . . 45 TYR N . 50088 1 523 . 1 . 1 46 46 GLY H H 1 7.826 0.020 . 1 . . . . . 46 GLY H . 50088 1 524 . 1 . 1 46 46 GLY HA2 H 1 3.949 0.020 . 2 . . . . . 46 GLY HA2 . 50088 1 525 . 1 . 1 46 46 GLY HA3 H 1 4.010 0.020 . 2 . . . . . 46 GLY HA3 . 50088 1 526 . 1 . 1 46 46 GLY C C 13 175.180 0.400 . 1 . . . . . 46 GLY C . 50088 1 527 . 1 . 1 46 46 GLY CA C 13 47.883 0.400 . 1 . . . . . 46 GLY CA . 50088 1 528 . 1 . 1 46 46 GLY N N 15 106.525 0.400 . 1 . . . . . 46 GLY N . 50088 1 529 . 1 . 1 47 47 THR H H 1 8.808 0.020 . 1 . . . . . 47 THR H . 50088 1 530 . 1 . 1 47 47 THR HA H 1 4.560 0.020 . 1 . . . . . 47 THR HA . 50088 1 531 . 1 . 1 47 47 THR HB H 1 3.960 0.020 . 1 . . . . . 47 THR HB . 50088 1 532 . 1 . 1 47 47 THR HG21 H 1 1.471 0.020 . 1 . . . . . 47 THR HG21 . 50088 1 533 . 1 . 1 47 47 THR HG22 H 1 1.471 0.020 . 1 . . . . . 47 THR HG22 . 50088 1 534 . 1 . 1 47 47 THR HG23 H 1 1.471 0.020 . 1 . . . . . 47 THR HG23 . 50088 1 535 . 1 . 1 47 47 THR C C 13 177.540 0.400 . 1 . . . . . 47 THR C . 50088 1 536 . 1 . 1 47 47 THR CA C 13 66.260 0.400 . 1 . . . . . 47 THR CA . 50088 1 537 . 1 . 1 47 47 THR CB C 13 67.420 0.400 . 1 . . . . . 47 THR CB . 50088 1 538 . 1 . 1 47 47 THR CG2 C 13 22.985 0.400 . 1 . . . . . 47 THR CG2 . 50088 1 539 . 1 . 1 47 47 THR N N 15 114.645 0.400 . 1 . . . . . 47 THR N . 50088 1 540 . 1 . 1 48 48 SER H H 1 8.215 0.020 . 1 . . . . . 48 SER H . 50088 1 541 . 1 . 1 48 48 SER HA H 1 4.317 0.020 . 1 . . . . . 48 SER HA . 50088 1 542 . 1 . 1 48 48 SER HB2 H 1 3.982 0.020 . 2 . . . . . 48 SER HB2 . 50088 1 543 . 1 . 1 48 48 SER HB3 H 1 4.054 0.020 . 2 . . . . . 48 SER HB3 . 50088 1 544 . 1 . 1 48 48 SER C C 13 176.410 0.400 . 1 . . . . . 48 SER C . 50088 1 545 . 1 . 1 48 48 SER CA C 13 62.020 0.400 . 1 . . . . . 48 SER CA . 50088 1 546 . 1 . 1 48 48 SER CB C 13 62.560 0.400 . 1 . . . . . 48 SER CB . 50088 1 547 . 1 . 1 48 48 SER N N 15 117.896 0.400 . 1 . . . . . 48 SER N . 50088 1 548 . 1 . 1 49 49 LEU H H 1 7.157 0.020 . 1 . . . . . 49 LEU H . 50088 1 549 . 1 . 1 49 49 LEU HA H 1 4.060 0.020 . 1 . . . . . 49 LEU HA . 50088 1 550 . 1 . 1 49 49 LEU HB2 H 1 1.958 0.020 . 2 . . . . . 49 LEU HB2 . 50088 1 551 . 1 . 1 49 49 LEU HB3 H 1 1.958 0.020 . 2 . . . . . 49 LEU HB3 . 50088 1 552 . 1 . 1 49 49 LEU HG H 1 1.187 0.020 . 1 . . . . . 49 LEU HG . 50088 1 553 . 1 . 1 49 49 LEU HD11 H 1 0.796 0.020 . 2 . . . . . 49 LEU HD11 . 50088 1 554 . 1 . 1 49 49 LEU HD12 H 1 0.796 0.020 . 2 . . . . . 49 LEU HD12 . 50088 1 555 . 1 . 1 49 49 LEU HD13 H 1 0.796 0.020 . 2 . . . . . 49 LEU HD13 . 50088 1 556 . 1 . 1 49 49 LEU HD21 H 1 0.371 0.020 . 2 . . . . . 49 LEU HD21 . 50088 1 557 . 1 . 1 49 49 LEU HD22 H 1 0.371 0.020 . 2 . . . . . 49 LEU HD22 . 50088 1 558 . 1 . 1 49 49 LEU HD23 H 1 0.371 0.020 . 2 . . . . . 49 LEU HD23 . 50088 1 559 . 1 . 1 49 49 LEU C C 13 178.860 0.400 . 1 . . . . . 49 LEU C . 50088 1 560 . 1 . 1 49 49 LEU CA C 13 58.120 0.400 . 1 . . . . . 49 LEU CA . 50088 1 561 . 1 . 1 49 49 LEU CB C 13 42.660 0.400 . 1 . . . . . 49 LEU CB . 50088 1 562 . 1 . 1 49 49 LEU CG C 13 26.033 0.400 . 1 . . . . . 49 LEU CG . 50088 1 563 . 1 . 1 49 49 LEU CD1 C 13 22.559 0.400 . 2 . . . . . 49 LEU CD1 . 50088 1 564 . 1 . 1 49 49 LEU CD2 C 13 25.917 0.400 . 2 . . . . . 49 LEU CD2 . 50088 1 565 . 1 . 1 49 49 LEU N N 15 123.809 0.400 . 1 . . . . . 49 LEU N . 50088 1 566 . 1 . 1 50 50 LEU H H 1 7.705 0.020 . 1 . . . . . 50 LEU H . 50088 1 567 . 1 . 1 50 50 LEU HA H 1 3.570 0.020 . 1 . . . . . 50 LEU HA . 50088 1 568 . 1 . 1 50 50 LEU HB2 H 1 1.388 0.020 . 2 . . . . . 50 LEU HB2 . 50088 1 569 . 1 . 1 50 50 LEU HB3 H 1 0.362 0.020 . 2 . . . . . 50 LEU HB3 . 50088 1 570 . 1 . 1 50 50 LEU HG H 1 1.435 0.020 . 1 . . . . . 50 LEU HG . 50088 1 571 . 1 . 1 50 50 LEU HD11 H 1 0.135 0.020 . 2 . . . . . 50 LEU HD11 . 50088 1 572 . 1 . 1 50 50 LEU HD12 H 1 0.135 0.020 . 2 . . . . . 50 LEU HD12 . 50088 1 573 . 1 . 1 50 50 LEU HD13 H 1 0.135 0.020 . 2 . . . . . 50 LEU HD13 . 50088 1 574 . 1 . 1 50 50 LEU HD21 H 1 0.318 0.020 . 2 . . . . . 50 LEU HD21 . 50088 1 575 . 1 . 1 50 50 LEU HD22 H 1 0.318 0.020 . 2 . . . . . 50 LEU HD22 . 50088 1 576 . 1 . 1 50 50 LEU HD23 H 1 0.318 0.020 . 2 . . . . . 50 LEU HD23 . 50088 1 577 . 1 . 1 50 50 LEU C C 13 177.980 0.400 . 1 . . . . . 50 LEU C . 50088 1 578 . 1 . 1 50 50 LEU CA C 13 57.460 0.400 . 1 . . . . . 50 LEU CA . 50088 1 579 . 1 . 1 50 50 LEU CB C 13 41.274 0.400 . 1 . . . . . 50 LEU CB . 50088 1 580 . 1 . 1 50 50 LEU CG C 13 25.532 0.400 . 1 . . . . . 50 LEU CG . 50088 1 581 . 1 . 1 50 50 LEU CD1 C 13 25.988 0.400 . 2 . . . . . 50 LEU CD1 . 50088 1 582 . 1 . 1 50 50 LEU CD2 C 13 23.060 0.400 . 2 . . . . . 50 LEU CD2 . 50088 1 583 . 1 . 1 50 50 LEU N N 15 117.204 0.400 . 1 . . . . . 50 LEU N . 50088 1 584 . 1 . 1 51 51 ALA H H 1 8.529 0.020 . 1 . . . . . 51 ALA H . 50088 1 585 . 1 . 1 51 51 ALA HA H 1 3.960 0.020 . 1 . . . . . 51 ALA HA . 50088 1 586 . 1 . 1 51 51 ALA HB1 H 1 1.650 0.020 . 1 . . . . . 51 ALA HB1 . 50088 1 587 . 1 . 1 51 51 ALA HB2 H 1 1.650 0.020 . 1 . . . . . 51 ALA HB2 . 50088 1 588 . 1 . 1 51 51 ALA HB3 H 1 1.650 0.020 . 1 . . . . . 51 ALA HB3 . 50088 1 589 . 1 . 1 51 51 ALA C C 13 179.220 0.400 . 1 . . . . . 51 ALA C . 50088 1 590 . 1 . 1 51 51 ALA CA C 13 55.510 0.400 . 1 . . . . . 51 ALA CA . 50088 1 591 . 1 . 1 51 51 ALA CB C 13 18.250 0.400 . 1 . . . . . 51 ALA CB . 50088 1 592 . 1 . 1 51 51 ALA N N 15 120.779 0.400 . 1 . . . . . 51 ALA N . 50088 1 593 . 1 . 1 52 52 ALA H H 1 7.946 0.020 . 1 . . . . . 52 ALA H . 50088 1 594 . 1 . 1 52 52 ALA HA H 1 4.180 0.020 . 1 . . . . . 52 ALA HA . 50088 1 595 . 1 . 1 52 52 ALA HB1 H 1 1.460 0.020 . 1 . . . . . 52 ALA HB1 . 50088 1 596 . 1 . 1 52 52 ALA HB2 H 1 1.460 0.020 . 1 . . . . . 52 ALA HB2 . 50088 1 597 . 1 . 1 52 52 ALA HB3 H 1 1.460 0.020 . 1 . . . . . 52 ALA HB3 . 50088 1 598 . 1 . 1 52 52 ALA C C 13 180.770 0.400 . 1 . . . . . 52 ALA C . 50088 1 599 . 1 . 1 52 52 ALA CA C 13 54.710 0.400 . 1 . . . . . 52 ALA CA . 50088 1 600 . 1 . 1 52 52 ALA CB C 13 17.940 0.400 . 1 . . . . . 52 ALA CB . 50088 1 601 . 1 . 1 52 52 ALA N N 15 118.072 0.400 . 1 . . . . . 52 ALA N . 50088 1 602 . 1 . 1 53 53 ALA H H 1 7.454 0.020 . 1 . . . . . 53 ALA H . 50088 1 603 . 1 . 1 53 53 ALA HA H 1 3.690 0.020 . 1 . . . . . 53 ALA HA . 50088 1 604 . 1 . 1 53 53 ALA HB1 H 1 1.070 0.020 . 1 . . . . . 53 ALA HB1 . 50088 1 605 . 1 . 1 53 53 ALA HB2 H 1 1.070 0.020 . 1 . . . . . 53 ALA HB2 . 50088 1 606 . 1 . 1 53 53 ALA HB3 H 1 1.070 0.020 . 1 . . . . . 53 ALA HB3 . 50088 1 607 . 1 . 1 53 53 ALA C C 13 177.100 0.400 . 1 . . . . . 53 ALA C . 50088 1 608 . 1 . 1 53 53 ALA CA C 13 54.530 0.400 . 1 . . . . . 53 ALA CA . 50088 1 609 . 1 . 1 53 53 ALA CB C 13 18.410 0.400 . 1 . . . . . 53 ALA CB . 50088 1 610 . 1 . 1 53 53 ALA N N 15 120.112 0.400 . 1 . . . . . 53 ALA N . 50088 1 611 . 1 . 1 54 54 ARG H H 1 8.677 0.020 . 1 . . . . . 54 ARG H . 50088 1 612 . 1 . 1 54 54 ARG HA H 1 4.080 0.020 . 1 . . . . . 54 ARG HA . 50088 1 613 . 1 . 1 54 54 ARG HB2 H 1 1.985 0.020 . 2 . . . . . 54 ARG HB2 . 50088 1 614 . 1 . 1 54 54 ARG HB3 H 1 2.379 0.020 . 2 . . . . . 54 ARG HB3 . 50088 1 615 . 1 . 1 54 54 ARG HG2 H 1 1.444 0.020 . 2 . . . . . 54 ARG HG2 . 50088 1 616 . 1 . 1 54 54 ARG HG3 H 1 2.079 0.020 . 2 . . . . . 54 ARG HG3 . 50088 1 617 . 1 . 1 54 54 ARG HD2 H 1 3.278 0.020 . 2 . . . . . 54 ARG HD2 . 50088 1 618 . 1 . 1 54 54 ARG HD3 H 1 3.386 0.020 . 2 . . . . . 54 ARG HD3 . 50088 1 619 . 1 . 1 54 54 ARG HE H 1 7.153 0.020 . 1 . . . . . 54 ARG HE . 50088 1 620 . 1 . 1 54 54 ARG C C 13 177.820 0.400 . 1 . . . . . 54 ARG C . 50088 1 621 . 1 . 1 54 54 ARG CA C 13 59.390 0.400 . 1 . . . . . 54 ARG CA . 50088 1 622 . 1 . 1 54 54 ARG CB C 13 30.243 0.400 . 1 . . . . . 54 ARG CB . 50088 1 623 . 1 . 1 54 54 ARG CG C 13 25.876 0.400 . 1 . . . . . 54 ARG CG . 50088 1 624 . 1 . 1 54 54 ARG CD C 13 44.267 0.400 . 1 . . . . . 54 ARG CD . 50088 1 625 . 1 . 1 54 54 ARG N N 15 118.007 0.400 . 1 . . . . . 54 ARG N . 50088 1 626 . 1 . 1 54 54 ARG NE N 15 83.715 0.400 . 1 . . . . . 54 ARG NE . 50088 1 627 . 1 . 1 55 55 ASP H H 1 8.354 0.020 . 1 . . . . . 55 ASP H . 50088 1 628 . 1 . 1 55 55 ASP HA H 1 4.460 0.020 . 1 . . . . . 55 ASP HA . 50088 1 629 . 1 . 1 55 55 ASP HB2 H 1 2.834 0.020 . 2 . . . . . 55 ASP HB2 . 50088 1 630 . 1 . 1 55 55 ASP HB3 H 1 2.834 0.020 . 2 . . . . . 55 ASP HB3 . 50088 1 631 . 1 . 1 55 55 ASP C C 13 178.440 0.400 . 1 . . . . . 55 ASP C . 50088 1 632 . 1 . 1 55 55 ASP CA C 13 57.100 0.400 . 1 . . . . . 55 ASP CA . 50088 1 633 . 1 . 1 55 55 ASP CB C 13 38.950 0.400 . 1 . . . . . 55 ASP CB . 50088 1 634 . 1 . 1 55 55 ASP N N 15 118.285 0.400 . 1 . . . . . 55 ASP N . 50088 1 635 . 1 . 1 56 56 GLU H H 1 7.974 0.020 . 1 . . . . . 56 GLU H . 50088 1 636 . 1 . 1 56 56 GLU HA H 1 4.090 0.020 . 1 . . . . . 56 GLU HA . 50088 1 637 . 1 . 1 56 56 GLU HB2 H 1 2.043 0.020 . 2 . . . . . 56 GLU HB2 . 50088 1 638 . 1 . 1 56 56 GLU HB3 H 1 2.071 0.020 . 2 . . . . . 56 GLU HB3 . 50088 1 639 . 1 . 1 56 56 GLU HG2 H 1 2.138 0.020 . 2 . . . . . 56 GLU HG2 . 50088 1 640 . 1 . 1 56 56 GLU HG3 H 1 2.437 0.020 . 2 . . . . . 56 GLU HG3 . 50088 1 641 . 1 . 1 56 56 GLU C C 13 179.940 0.400 . 1 . . . . . 56 GLU C . 50088 1 642 . 1 . 1 56 56 GLU CA C 13 58.870 0.400 . 1 . . . . . 56 GLU CA . 50088 1 643 . 1 . 1 56 56 GLU CB C 13 29.154 0.400 . 1 . . . . . 56 GLU CB . 50088 1 644 . 1 . 1 56 56 GLU CG C 13 35.088 0.400 . 1 . . . . . 56 GLU CG . 50088 1 645 . 1 . 1 56 56 GLU N N 15 122.257 0.400 . 1 . . . . . 56 GLU N . 50088 1 646 . 1 . 1 57 57 PHE H H 1 9.004 0.020 . 1 . . . . . 57 PHE H . 50088 1 647 . 1 . 1 57 57 PHE HA H 1 4.590 0.020 . 1 . . . . . 57 PHE HA . 50088 1 648 . 1 . 1 57 57 PHE HB2 H 1 3.337 0.020 . 2 . . . . . 57 PHE HB2 . 50088 1 649 . 1 . 1 57 57 PHE HB3 H 1 3.023 0.020 . 2 . . . . . 57 PHE HB3 . 50088 1 650 . 1 . 1 57 57 PHE HD1 H 1 6.870 0.020 . 1 . . . . . 57 PHE HD1 . 50088 1 651 . 1 . 1 57 57 PHE HD2 H 1 6.870 0.020 . 1 . . . . . 57 PHE HD2 . 50088 1 652 . 1 . 1 57 57 PHE HE1 H 1 7.100 0.020 . 1 . . . . . 57 PHE HE1 . 50088 1 653 . 1 . 1 57 57 PHE HE2 H 1 7.100 0.020 . 1 . . . . . 57 PHE HE2 . 50088 1 654 . 1 . 1 57 57 PHE C C 13 177.490 0.400 . 1 . . . . . 57 PHE C . 50088 1 655 . 1 . 1 57 57 PHE CA C 13 56.800 0.400 . 1 . . . . . 57 PHE CA . 50088 1 656 . 1 . 1 57 57 PHE CB C 13 36.923 0.400 . 1 . . . . . 57 PHE CB . 50088 1 657 . 1 . 1 57 57 PHE CD1 C 13 128.400 0.400 . 3 . . . . . 57 PHE CD1 . 50088 1 658 . 1 . 1 57 57 PHE CD2 C 13 128.400 0.400 . 3 . . . . . 57 PHE CD2 . 50088 1 659 . 1 . 1 57 57 PHE CE1 C 13 132.900 0.400 . 3 . . . . . 57 PHE CE1 . 50088 1 660 . 1 . 1 57 57 PHE CE2 C 13 132.900 0.400 . 3 . . . . . 57 PHE CE2 . 50088 1 661 . 1 . 1 57 57 PHE N N 15 120.757 0.400 . 1 . . . . . 57 PHE N . 50088 1 662 . 1 . 1 58 58 ARG H H 1 8.862 0.020 . 1 . . . . . 58 ARG H . 50088 1 663 . 1 . 1 58 58 ARG HA H 1 4.430 0.020 . 1 . . . . . 58 ARG HA . 50088 1 664 . 1 . 1 58 58 ARG HB2 H 1 2.054 0.020 . 2 . . . . . 58 ARG HB2 . 50088 1 665 . 1 . 1 58 58 ARG HB3 H 1 2.104 0.020 . 2 . . . . . 58 ARG HB3 . 50088 1 666 . 1 . 1 58 58 ARG HG2 H 1 2.311 0.020 . 2 . . . . . 58 ARG HG2 . 50088 1 667 . 1 . 1 58 58 ARG HG3 H 1 2.311 0.020 . 2 . . . . . 58 ARG HG3 . 50088 1 668 . 1 . 1 58 58 ARG HD2 H 1 3.339 0.020 . 2 . . . . . 58 ARG HD2 . 50088 1 669 . 1 . 1 58 58 ARG HD3 H 1 3.385 0.020 . 2 . . . . . 58 ARG HD3 . 50088 1 670 . 1 . 1 58 58 ARG HE H 1 6.952 0.020 . 1 . . . . . 58 ARG HE . 50088 1 671 . 1 . 1 58 58 ARG C C 13 179.920 0.400 . 1 . . . . . 58 ARG C . 50088 1 672 . 1 . 1 58 58 ARG CA C 13 60.120 0.400 . 1 . . . . . 58 ARG CA . 50088 1 673 . 1 . 1 58 58 ARG CB C 13 30.222 0.400 . 1 . . . . . 58 ARG CB . 50088 1 674 . 1 . 1 58 58 ARG CG C 13 28.251 0.400 . 1 . . . . . 58 ARG CG . 50088 1 675 . 1 . 1 58 58 ARG CD C 13 44.237 0.400 . 1 . . . . . 58 ARG CD . 50088 1 676 . 1 . 1 58 58 ARG N N 15 117.885 0.400 . 1 . . . . . 58 ARG N . 50088 1 677 . 1 . 1 58 58 ARG NE N 15 83.410 0.400 . 1 . . . . . 58 ARG NE . 50088 1 678 . 1 . 1 59 59 GLN H H 1 7.736 0.020 . 1 . . . . . 59 GLN H . 50088 1 679 . 1 . 1 59 59 GLN HA H 1 4.244 0.020 . 1 . . . . . 59 GLN HA . 50088 1 680 . 1 . 1 59 59 GLN HB2 H 1 2.294 0.020 . 2 . . . . . 59 GLN HB2 . 50088 1 681 . 1 . 1 59 59 GLN HB3 H 1 2.294 0.020 . 2 . . . . . 59 GLN HB3 . 50088 1 682 . 1 . 1 59 59 GLN HG2 H 1 2.573 0.020 . 2 . . . . . 59 GLN HG2 . 50088 1 683 . 1 . 1 59 59 GLN HG3 H 1 2.573 0.020 . 2 . . . . . 59 GLN HG3 . 50088 1 684 . 1 . 1 59 59 GLN HE21 H 1 6.983 0.020 . 2 . . . . . 59 GLN HE21 . 50088 1 685 . 1 . 1 59 59 GLN HE22 H 1 7.552 0.020 . 2 . . . . . 59 GLN HE22 . 50088 1 686 . 1 . 1 59 59 GLN C C 13 178.260 0.400 . 1 . . . . . 59 GLN C . 50088 1 687 . 1 . 1 59 59 GLN CA C 13 58.779 0.400 . 1 . . . . . 59 GLN CA . 50088 1 688 . 1 . 1 59 59 GLN CB C 13 28.249 0.400 . 1 . . . . . 59 GLN CB . 50088 1 689 . 1 . 1 59 59 GLN CG C 13 33.543 0.400 . 1 . . . . . 59 GLN CG . 50088 1 690 . 1 . 1 59 59 GLN N N 15 117.433 0.400 . 1 . . . . . 59 GLN N . 50088 1 691 . 1 . 1 59 59 GLN NE2 N 15 112.115 0.400 . 1 . . . . . 59 GLN NE2 . 50088 1 692 . 1 . 1 60 60 ALA H H 1 8.398 0.020 . 1 . . . . . 60 ALA H . 50088 1 693 . 1 . 1 60 60 ALA HA H 1 4.360 0.020 . 1 . . . . . 60 ALA HA . 50088 1 694 . 1 . 1 60 60 ALA HB1 H 1 1.790 0.020 . 1 . . . . . 60 ALA HB1 . 50088 1 695 . 1 . 1 60 60 ALA HB2 H 1 1.790 0.020 . 1 . . . . . 60 ALA HB2 . 50088 1 696 . 1 . 1 60 60 ALA HB3 H 1 1.790 0.020 . 1 . . . . . 60 ALA HB3 . 50088 1 697 . 1 . 1 60 60 ALA C C 13 180.200 0.400 . 1 . . . . . 60 ALA C . 50088 1 698 . 1 . 1 60 60 ALA CA C 13 54.690 0.400 . 1 . . . . . 60 ALA CA . 50088 1 699 . 1 . 1 60 60 ALA CB C 13 18.390 0.400 . 1 . . . . . 60 ALA CB . 50088 1 700 . 1 . 1 60 60 ALA N N 15 122.119 0.400 . 1 . . . . . 60 ALA N . 50088 1 701 . 1 . 1 61 61 ASP H H 1 8.462 0.020 . 1 . . . . . 61 ASP H . 50088 1 702 . 1 . 1 61 61 ASP HA H 1 4.890 0.020 . 1 . . . . . 61 ASP HA . 50088 1 703 . 1 . 1 61 61 ASP HB2 H 1 2.981 0.020 . 2 . . . . . 61 ASP HB2 . 50088 1 704 . 1 . 1 61 61 ASP HB3 H 1 3.107 0.020 . 2 . . . . . 61 ASP HB3 . 50088 1 705 . 1 . 1 61 61 ASP C C 13 177.120 0.400 . 1 . . . . . 61 ASP C . 50088 1 706 . 1 . 1 61 61 ASP CA C 13 54.510 0.400 . 1 . . . . . 61 ASP CA . 50088 1 707 . 1 . 1 61 61 ASP CB C 13 40.368 0.400 . 1 . . . . . 61 ASP CB . 50088 1 708 . 1 . 1 61 61 ASP N N 15 116.391 0.400 . 1 . . . . . 61 ASP N . 50088 1 709 . 1 . 1 62 62 LYS H H 1 7.198 0.020 . 1 . . . . . 62 LYS H . 50088 1 710 . 1 . 1 62 62 LYS HA H 1 4.040 0.020 . 1 . . . . . 62 LYS HA . 50088 1 711 . 1 . 1 62 62 LYS HB2 H 1 1.962 0.020 . 2 . . . . . 62 LYS HB2 . 50088 1 712 . 1 . 1 62 62 LYS HB3 H 1 2.094 0.020 . 2 . . . . . 62 LYS HB3 . 50088 1 713 . 1 . 1 62 62 LYS HG2 H 1 1.612 0.020 . 2 . . . . . 62 LYS HG2 . 50088 1 714 . 1 . 1 62 62 LYS HG3 H 1 1.657 0.020 . 2 . . . . . 62 LYS HG3 . 50088 1 715 . 1 . 1 62 62 LYS HD2 H 1 1.675 0.020 . 2 . . . . . 62 LYS HD2 . 50088 1 716 . 1 . 1 62 62 LYS HD3 H 1 1.675 0.020 . 2 . . . . . 62 LYS HD3 . 50088 1 717 . 1 . 1 62 62 LYS HE2 H 1 3.072 0.020 . 2 . . . . . 62 LYS HE2 . 50088 1 718 . 1 . 1 62 62 LYS HE3 H 1 3.072 0.020 . 2 . . . . . 62 LYS HE3 . 50088 1 719 . 1 . 1 62 62 LYS C C 13 177.560 0.400 . 1 . . . . . 62 LYS C . 50088 1 720 . 1 . 1 62 62 LYS CA C 13 59.940 0.400 . 1 . . . . . 62 LYS CA . 50088 1 721 . 1 . 1 62 62 LYS CB C 13 33.106 0.400 . 1 . . . . . 62 LYS CB . 50088 1 722 . 1 . 1 62 62 LYS CG C 13 24.515 0.400 . 1 . . . . . 62 LYS CG . 50088 1 723 . 1 . 1 62 62 LYS CD C 13 29.096 0.400 . 1 . . . . . 62 LYS CD . 50088 1 724 . 1 . 1 62 62 LYS CE C 13 42.045 0.400 . 1 . . . . . 62 LYS CE . 50088 1 725 . 1 . 1 62 62 LYS N N 15 120.473 0.400 . 1 . . . . . 62 LYS N . 50088 1 726 . 1 . 1 63 63 LYS H H 1 8.589 0.020 . 1 . . . . . 63 LYS H . 50088 1 727 . 1 . 1 63 63 LYS HA H 1 4.336 0.020 . 1 . . . . . 63 LYS HA . 50088 1 728 . 1 . 1 63 63 LYS HB2 H 1 2.051 0.020 . 2 . . . . . 63 LYS HB2 . 50088 1 729 . 1 . 1 63 63 LYS HB3 H 1 1.816 0.020 . 2 . . . . . 63 LYS HB3 . 50088 1 730 . 1 . 1 63 63 LYS HG2 H 1 1.519 0.020 . 2 . . . . . 63 LYS HG2 . 50088 1 731 . 1 . 1 63 63 LYS HG3 H 1 1.557 0.020 . 2 . . . . . 63 LYS HG3 . 50088 1 732 . 1 . 1 63 63 LYS HD2 H 1 1.786 0.020 . 2 . . . . . 63 LYS HD2 . 50088 1 733 . 1 . 1 63 63 LYS HD3 H 1 1.786 0.020 . 2 . . . . . 63 LYS HD3 . 50088 1 734 . 1 . 1 63 63 LYS HE2 H 1 3.101 0.020 . 2 . . . . . 63 LYS HE2 . 50088 1 735 . 1 . 1 63 63 LYS HE3 H 1 3.101 0.020 . 2 . . . . . 63 LYS HE3 . 50088 1 736 . 1 . 1 63 63 LYS C C 13 177.180 0.400 . 1 . . . . . 63 LYS C . 50088 1 737 . 1 . 1 63 63 LYS CA C 13 56.428 0.400 . 1 . . . . . 63 LYS CA . 50088 1 738 . 1 . 1 63 63 LYS CB C 13 31.872 0.400 . 1 . . . . . 63 LYS CB . 50088 1 739 . 1 . 1 63 63 LYS CG C 13 25.080 0.400 . 1 . . . . . 63 LYS CG . 50088 1 740 . 1 . 1 63 63 LYS CD C 13 29.039 0.400 . 1 . . . . . 63 LYS CD . 50088 1 741 . 1 . 1 63 63 LYS CE C 13 42.064 0.400 . 1 . . . . . 63 LYS CE . 50088 1 742 . 1 . 1 63 63 LYS N N 15 114.856 0.400 . 1 . . . . . 63 LYS N . 50088 1 743 . 1 . 1 64 64 LEU H H 1 7.639 0.020 . 1 . . . . . 64 LEU H . 50088 1 744 . 1 . 1 64 64 LEU HA H 1 4.499 0.020 . 1 . . . . . 64 LEU HA . 50088 1 745 . 1 . 1 64 64 LEU HB2 H 1 1.430 0.020 . 2 . . . . . 64 LEU HB2 . 50088 1 746 . 1 . 1 64 64 LEU HB3 H 1 1.693 0.020 . 2 . . . . . 64 LEU HB3 . 50088 1 747 . 1 . 1 64 64 LEU HG H 1 1.869 0.020 . 1 . . . . . 64 LEU HG . 50088 1 748 . 1 . 1 64 64 LEU HD11 H 1 0.950 0.020 . 2 . . . . . 64 LEU HD11 . 50088 1 749 . 1 . 1 64 64 LEU HD12 H 1 0.950 0.020 . 2 . . . . . 64 LEU HD12 . 50088 1 750 . 1 . 1 64 64 LEU HD13 H 1 0.950 0.020 . 2 . . . . . 64 LEU HD13 . 50088 1 751 . 1 . 1 64 64 LEU HD21 H 1 0.986 0.020 . 2 . . . . . 64 LEU HD21 . 50088 1 752 . 1 . 1 64 64 LEU HD22 H 1 0.986 0.020 . 2 . . . . . 64 LEU HD22 . 50088 1 753 . 1 . 1 64 64 LEU HD23 H 1 0.986 0.020 . 2 . . . . . 64 LEU HD23 . 50088 1 754 . 1 . 1 64 64 LEU C C 13 174.640 0.400 . 1 . . . . . 64 LEU C . 50088 1 755 . 1 . 1 64 64 LEU CA C 13 53.739 0.400 . 1 . . . . . 64 LEU CA . 50088 1 756 . 1 . 1 64 64 LEU CB C 13 40.782 0.400 . 1 . . . . . 64 LEU CB . 50088 1 757 . 1 . 1 64 64 LEU CG C 13 27.342 0.400 . 1 . . . . . 64 LEU CG . 50088 1 758 . 1 . 1 64 64 LEU CD1 C 13 25.273 0.400 . 2 . . . . . 64 LEU CD1 . 50088 1 759 . 1 . 1 64 64 LEU CD2 C 13 22.525 0.400 . 2 . . . . . 64 LEU CD2 . 50088 1 760 . 1 . 1 64 64 LEU N N 15 121.742 0.400 . 1 . . . . . 64 LEU N . 50088 1 761 . 1 . 1 65 65 PRO HA H 1 4.480 0.020 . 1 . . . . . 65 PRO HA . 50088 1 762 . 1 . 1 65 65 PRO HB2 H 1 2.460 0.020 . 2 . . . . . 65 PRO HB2 . 50088 1 763 . 1 . 1 65 65 PRO HB3 H 1 1.881 0.020 . 2 . . . . . 65 PRO HB3 . 50088 1 764 . 1 . 1 65 65 PRO HG2 H 1 1.923 0.020 . 2 . . . . . 65 PRO HG2 . 50088 1 765 . 1 . 1 65 65 PRO HG3 H 1 2.183 0.020 . 2 . . . . . 65 PRO HG3 . 50088 1 766 . 1 . 1 65 65 PRO HD2 H 1 3.718 0.020 . 2 . . . . . 65 PRO HD2 . 50088 1 767 . 1 . 1 65 65 PRO HD3 H 1 3.943 0.020 . 2 . . . . . 65 PRO HD3 . 50088 1 768 . 1 . 1 65 65 PRO C C 13 177.600 0.400 . 1 . . . . . 65 PRO C . 50088 1 769 . 1 . 1 65 65 PRO CA C 13 62.540 0.400 . 1 . . . . . 65 PRO CA . 50088 1 770 . 1 . 1 65 65 PRO CB C 13 32.185 0.400 . 1 . . . . . 65 PRO CB . 50088 1 771 . 1 . 1 65 65 PRO CG C 13 26.827 0.400 . 1 . . . . . 65 PRO CG . 50088 1 772 . 1 . 1 65 65 PRO CD C 13 50.236 0.400 . 1 . . . . . 65 PRO CD . 50088 1 773 . 1 . 1 66 66 ALA H H 1 8.714 0.020 . 1 . . . . . 66 ALA H . 50088 1 774 . 1 . 1 66 66 ALA HA H 1 3.870 0.020 . 1 . . . . . 66 ALA HA . 50088 1 775 . 1 . 1 66 66 ALA HB1 H 1 1.520 0.020 . 1 . . . . . 66 ALA HB1 . 50088 1 776 . 1 . 1 66 66 ALA HB2 H 1 1.520 0.020 . 1 . . . . . 66 ALA HB2 . 50088 1 777 . 1 . 1 66 66 ALA HB3 H 1 1.520 0.020 . 1 . . . . . 66 ALA HB3 . 50088 1 778 . 1 . 1 66 66 ALA C C 13 180.560 0.400 . 1 . . . . . 66 ALA C . 50088 1 779 . 1 . 1 66 66 ALA CA C 13 55.920 0.400 . 1 . . . . . 66 ALA CA . 50088 1 780 . 1 . 1 66 66 ALA CB C 13 18.110 0.400 . 1 . . . . . 66 ALA CB . 50088 1 781 . 1 . 1 66 66 ALA N N 15 126.013 0.400 . 1 . . . . . 66 ALA N . 50088 1 782 . 1 . 1 67 67 LYS H H 1 8.477 0.020 . 1 . . . . . 67 LYS H . 50088 1 783 . 1 . 1 67 67 LYS HA H 1 4.280 0.020 . 1 . . . . . 67 LYS HA . 50088 1 784 . 1 . 1 67 67 LYS HB2 H 1 1.946 0.020 . 2 . . . . . 67 LYS HB2 . 50088 1 785 . 1 . 1 67 67 LYS HB3 H 1 1.837 0.020 . 2 . . . . . 67 LYS HB3 . 50088 1 786 . 1 . 1 67 67 LYS HG2 H 1 1.383 0.020 . 2 . . . . . 67 LYS HG2 . 50088 1 787 . 1 . 1 67 67 LYS HG3 H 1 1.347 0.020 . 2 . . . . . 67 LYS HG3 . 50088 1 788 . 1 . 1 67 67 LYS HD2 H 1 1.836 0.020 . 2 . . . . . 67 LYS HD2 . 50088 1 789 . 1 . 1 67 67 LYS HD3 H 1 1.836 0.020 . 2 . . . . . 67 LYS HD3 . 50088 1 790 . 1 . 1 67 67 LYS HE2 H 1 3.096 0.020 . 2 . . . . . 67 LYS HE2 . 50088 1 791 . 1 . 1 67 67 LYS HE3 H 1 3.096 0.020 . 2 . . . . . 67 LYS HE3 . 50088 1 792 . 1 . 1 67 67 LYS C C 13 176.530 0.400 . 1 . . . . . 67 LYS C . 50088 1 793 . 1 . 1 67 67 LYS CA C 13 57.780 0.400 . 1 . . . . . 67 LYS CA . 50088 1 794 . 1 . 1 67 67 LYS CB C 13 31.407 0.400 . 1 . . . . . 67 LYS CB . 50088 1 795 . 1 . 1 67 67 LYS CG C 13 23.859 0.400 . 1 . . . . . 67 LYS CG . 50088 1 796 . 1 . 1 67 67 LYS CD C 13 29.328 0.400 . 1 . . . . . 67 LYS CD . 50088 1 797 . 1 . 1 67 67 LYS CE C 13 42.104 0.400 . 1 . . . . . 67 LYS CE . 50088 1 798 . 1 . 1 67 67 LYS N N 15 113.766 0.400 . 1 . . . . . 67 LYS N . 50088 1 799 . 1 . 1 68 68 ASP H H 1 7.908 0.020 . 1 . . . . . 68 ASP H . 50088 1 800 . 1 . 1 68 68 ASP HA H 1 4.940 0.020 . 1 . . . . . 68 ASP HA . 50088 1 801 . 1 . 1 68 68 ASP HB2 H 1 3.181 0.020 . 2 . . . . . 68 ASP HB2 . 50088 1 802 . 1 . 1 68 68 ASP HB3 H 1 2.745 0.020 . 2 . . . . . 68 ASP HB3 . 50088 1 803 . 1 . 1 68 68 ASP C C 13 174.120 0.400 . 1 . . . . . 68 ASP C . 50088 1 804 . 1 . 1 68 68 ASP CA C 13 52.730 0.400 . 1 . . . . . 68 ASP CA . 50088 1 805 . 1 . 1 68 68 ASP CB C 13 39.915 0.400 . 1 . . . . . 68 ASP CB . 50088 1 806 . 1 . 1 68 68 ASP N N 15 118.120 0.400 . 1 . . . . . 68 ASP N . 50088 1 807 . 1 . 1 69 69 LYS H H 1 7.500 0.020 . 1 . . . . . 69 LYS H . 50088 1 808 . 1 . 1 69 69 LYS HA H 1 5.080 0.020 . 1 . . . . . 69 LYS HA . 50088 1 809 . 1 . 1 69 69 LYS HB2 H 1 1.376 0.020 . 2 . . . . . 69 LYS HB2 . 50088 1 810 . 1 . 1 69 69 LYS HB3 H 1 1.729 0.020 . 2 . . . . . 69 LYS HB3 . 50088 1 811 . 1 . 1 69 69 LYS HG2 H 1 1.335 0.020 . 2 . . . . . 69 LYS HG2 . 50088 1 812 . 1 . 1 69 69 LYS HG3 H 1 0.796 0.020 . 2 . . . . . 69 LYS HG3 . 50088 1 813 . 1 . 1 69 69 LYS HD2 H 1 1.681 0.020 . 2 . . . . . 69 LYS HD2 . 50088 1 814 . 1 . 1 69 69 LYS HD3 H 1 1.306 0.020 . 2 . . . . . 69 LYS HD3 . 50088 1 815 . 1 . 1 69 69 LYS HE2 H 1 2.662 0.020 . 2 . . . . . 69 LYS HE2 . 50088 1 816 . 1 . 1 69 69 LYS HE3 H 1 2.983 0.020 . 2 . . . . . 69 LYS HE3 . 50088 1 817 . 1 . 1 69 69 LYS C C 13 175.660 0.400 . 1 . . . . . 69 LYS C . 50088 1 818 . 1 . 1 69 69 LYS CA C 13 55.530 0.400 . 1 . . . . . 69 LYS CA . 50088 1 819 . 1 . 1 69 69 LYS CB C 13 37.435 0.400 . 1 . . . . . 69 LYS CB . 50088 1 820 . 1 . 1 69 69 LYS CG C 13 26.029 0.400 . 1 . . . . . 69 LYS CG . 50088 1 821 . 1 . 1 69 69 LYS CD C 13 29.274 0.400 . 1 . . . . . 69 LYS CD . 50088 1 822 . 1 . 1 69 69 LYS CE C 13 42.269 0.400 . 1 . . . . . 69 LYS CE . 50088 1 823 . 1 . 1 69 69 LYS N N 15 118.172 0.400 . 1 . . . . . 69 LYS N . 50088 1 824 . 1 . 1 70 70 LYS H H 1 9.300 0.020 . 1 . . . . . 70 LYS H . 50088 1 825 . 1 . 1 70 70 LYS HA H 1 4.280 0.020 . 1 . . . . . 70 LYS HA . 50088 1 826 . 1 . 1 70 70 LYS HB2 H 1 1.041 0.020 . 2 . . . . . 70 LYS HB2 . 50088 1 827 . 1 . 1 70 70 LYS HB3 H 1 1.022 0.020 . 2 . . . . . 70 LYS HB3 . 50088 1 828 . 1 . 1 70 70 LYS HG2 H 1 1.027 0.020 . 2 . . . . . 70 LYS HG2 . 50088 1 829 . 1 . 1 70 70 LYS HG3 H 1 0.772 0.020 . 2 . . . . . 70 LYS HG3 . 50088 1 830 . 1 . 1 70 70 LYS HD2 H 1 1.167 0.020 . 2 . . . . . 70 LYS HD2 . 50088 1 831 . 1 . 1 70 70 LYS HD3 H 1 0.892 0.020 . 2 . . . . . 70 LYS HD3 . 50088 1 832 . 1 . 1 70 70 LYS HE2 H 1 2.576 0.020 . 2 . . . . . 70 LYS HE2 . 50088 1 833 . 1 . 1 70 70 LYS HE3 H 1 2.576 0.020 . 2 . . . . . 70 LYS HE3 . 50088 1 834 . 1 . 1 70 70 LYS C C 13 175.750 0.400 . 1 . . . . . 70 LYS C . 50088 1 835 . 1 . 1 70 70 LYS CA C 13 55.800 0.400 . 1 . . . . . 70 LYS CA . 50088 1 836 . 1 . 1 70 70 LYS CB C 13 35.689 0.400 . 1 . . . . . 70 LYS CB . 50088 1 837 . 1 . 1 70 70 LYS CG C 13 24.834 0.400 . 1 . . . . . 70 LYS CG . 50088 1 838 . 1 . 1 70 70 LYS CD C 13 29.113 0.400 . 1 . . . . . 70 LYS CD . 50088 1 839 . 1 . 1 70 70 LYS CE C 13 41.713 0.400 . 1 . . . . . 70 LYS CE . 50088 1 840 . 1 . 1 70 70 LYS N N 15 120.764 0.400 . 1 . . . . . 70 LYS N . 50088 1 841 . 1 . 1 71 71 SER H H 1 9.230 0.020 . 1 . . . . . 71 SER H . 50088 1 842 . 1 . 1 71 71 SER HA H 1 4.610 0.020 . 1 . . . . . 71 SER HA . 50088 1 843 . 1 . 1 71 71 SER HB2 H 1 3.967 0.020 . 2 . . . . . 71 SER HB2 . 50088 1 844 . 1 . 1 71 71 SER HB3 H 1 3.967 0.020 . 2 . . . . . 71 SER HB3 . 50088 1 845 . 1 . 1 71 71 SER C C 13 175.320 0.400 . 1 . . . . . 71 SER C . 50088 1 846 . 1 . 1 71 71 SER CA C 13 59.020 0.400 . 1 . . . . . 71 SER CA . 50088 1 847 . 1 . 1 71 71 SER CB C 13 63.336 0.400 . 1 . . . . . 71 SER CB . 50088 1 848 . 1 . 1 71 71 SER N N 15 121.826 0.400 . 1 . . . . . 71 SER N . 50088 1 849 . 1 . 1 72 72 ASP H H 1 9.101 0.020 . 1 . . . . . 72 ASP H . 50088 1 850 . 1 . 1 72 72 ASP HA H 1 4.250 0.020 . 1 . . . . . 72 ASP HA . 50088 1 851 . 1 . 1 72 72 ASP HB2 H 1 2.885 0.020 . 2 . . . . . 72 ASP HB2 . 50088 1 852 . 1 . 1 72 72 ASP HB3 H 1 3.199 0.020 . 2 . . . . . 72 ASP HB3 . 50088 1 853 . 1 . 1 72 72 ASP C C 13 173.040 0.400 . 1 . . . . . 72 ASP C . 50088 1 854 . 1 . 1 72 72 ASP CA C 13 55.020 0.400 . 1 . . . . . 72 ASP CA . 50088 1 855 . 1 . 1 72 72 ASP CB C 13 38.553 0.400 . 1 . . . . . 72 ASP CB . 50088 1 856 . 1 . 1 72 72 ASP N N 15 110.891 0.400 . 1 . . . . . 72 ASP N . 50088 1 857 . 1 . 1 73 73 MET H H 1 8.037 0.020 . 1 . . . . . 73 MET H . 50088 1 858 . 1 . 1 73 73 MET HA H 1 5.170 0.020 . 1 . . . . . 73 MET HA . 50088 1 859 . 1 . 1 73 73 MET HB2 H 1 2.505 0.020 . 2 . . . . . 73 MET HB2 . 50088 1 860 . 1 . 1 73 73 MET HB3 H 1 2.284 0.020 . 2 . . . . . 73 MET HB3 . 50088 1 861 . 1 . 1 73 73 MET HG2 H 1 2.884 0.020 . 2 . . . . . 73 MET HG2 . 50088 1 862 . 1 . 1 73 73 MET HG3 H 1 2.923 0.020 . 2 . . . . . 73 MET HG3 . 50088 1 863 . 1 . 1 73 73 MET HE1 H 1 2.489 0.020 . 1 . . . . . 73 MET HE1 . 50088 1 864 . 1 . 1 73 73 MET HE2 H 1 2.489 0.020 . 1 . . . . . 73 MET HE2 . 50088 1 865 . 1 . 1 73 73 MET HE3 H 1 2.489 0.020 . 1 . . . . . 73 MET HE3 . 50088 1 866 . 1 . 1 73 73 MET C C 13 173.560 0.400 . 1 . . . . . 73 MET C . 50088 1 867 . 1 . 1 73 73 MET CA C 13 54.350 0.400 . 1 . . . . . 73 MET CA . 50088 1 868 . 1 . 1 73 73 MET CB C 13 37.947 0.400 . 1 . . . . . 73 MET CB . 50088 1 869 . 1 . 1 73 73 MET CG C 13 31.660 0.400 . 1 . . . . . 73 MET CG . 50088 1 870 . 1 . 1 73 73 MET CE C 13 18.258 0.400 . 1 . . . . . 73 MET CE . 50088 1 871 . 1 . 1 73 73 MET N N 15 116.586 0.400 . 1 . . . . . 73 MET N . 50088 1 872 . 1 . 1 74 74 SER H H 1 10.404 0.020 . 1 . . . . . 74 SER H . 50088 1 873 . 1 . 1 74 74 SER HA H 1 4.540 0.020 . 1 . . . . . 74 SER HA . 50088 1 874 . 1 . 1 74 74 SER HB2 H 1 3.751 0.020 . 2 . . . . . 74 SER HB2 . 50088 1 875 . 1 . 1 74 74 SER HB3 H 1 3.751 0.020 . 2 . . . . . 74 SER HB3 . 50088 1 876 . 1 . 1 74 74 SER C C 13 173.840 0.400 . 1 . . . . . 74 SER C . 50088 1 877 . 1 . 1 74 74 SER CA C 13 57.530 0.400 . 1 . . . . . 74 SER CA . 50088 1 878 . 1 . 1 74 74 SER CB C 13 63.849 0.400 . 1 . . . . . 74 SER CB . 50088 1 879 . 1 . 1 74 74 SER N N 15 117.350 0.400 . 1 . . . . . 74 SER N . 50088 1 880 . 1 . 1 75 75 ILE H H 1 8.096 0.020 . 1 . . . . . 75 ILE H . 50088 1 881 . 1 . 1 75 75 ILE HA H 1 3.680 0.020 . 1 . . . . . 75 ILE HA . 50088 1 882 . 1 . 1 75 75 ILE HB H 1 1.868 0.020 . 1 . . . . . 75 ILE HB . 50088 1 883 . 1 . 1 75 75 ILE HG12 H 1 1.202 0.020 . 2 . . . . . 75 ILE HG12 . 50088 1 884 . 1 . 1 75 75 ILE HG13 H 1 1.488 0.020 . 2 . . . . . 75 ILE HG13 . 50088 1 885 . 1 . 1 75 75 ILE HG21 H 1 0.952 0.020 . 1 . . . . . 75 ILE HG21 . 50088 1 886 . 1 . 1 75 75 ILE HG22 H 1 0.952 0.020 . 1 . . . . . 75 ILE HG22 . 50088 1 887 . 1 . 1 75 75 ILE HG23 H 1 0.952 0.020 . 1 . . . . . 75 ILE HG23 . 50088 1 888 . 1 . 1 75 75 ILE HD11 H 1 0.794 0.020 . 1 . . . . . 75 ILE HD11 . 50088 1 889 . 1 . 1 75 75 ILE HD12 H 1 0.794 0.020 . 1 . . . . . 75 ILE HD12 . 50088 1 890 . 1 . 1 75 75 ILE HD13 H 1 0.794 0.020 . 1 . . . . . 75 ILE HD13 . 50088 1 891 . 1 . 1 75 75 ILE C C 13 177.540 0.400 . 1 . . . . . 75 ILE C . 50088 1 892 . 1 . 1 75 75 ILE CA C 13 64.870 0.400 . 1 . . . . . 75 ILE CA . 50088 1 893 . 1 . 1 75 75 ILE CB C 13 36.908 0.400 . 1 . . . . . 75 ILE CB . 50088 1 894 . 1 . 1 75 75 ILE CG1 C 13 29.218 0.400 . 1 . . . . . 75 ILE CG1 . 50088 1 895 . 1 . 1 75 75 ILE CG2 C 13 17.567 0.400 . 1 . . . . . 75 ILE CG2 . 50088 1 896 . 1 . 1 75 75 ILE CD1 C 13 11.634 0.400 . 1 . . . . . 75 ILE CD1 . 50088 1 897 . 1 . 1 75 75 ILE N N 15 121.708 0.400 . 1 . . . . . 75 ILE N . 50088 1 898 . 1 . 1 76 76 ALA H H 1 8.573 0.020 . 1 . . . . . 76 ALA H . 50088 1 899 . 1 . 1 76 76 ALA HA H 1 4.180 0.020 . 1 . . . . . 76 ALA HA . 50088 1 900 . 1 . 1 76 76 ALA HB1 H 1 1.250 0.020 . 1 . . . . . 76 ALA HB1 . 50088 1 901 . 1 . 1 76 76 ALA HB2 H 1 1.250 0.020 . 1 . . . . . 76 ALA HB2 . 50088 1 902 . 1 . 1 76 76 ALA HB3 H 1 1.250 0.020 . 1 . . . . . 76 ALA HB3 . 50088 1 903 . 1 . 1 76 76 ALA C C 13 181.800 0.400 . 1 . . . . . 76 ALA C . 50088 1 904 . 1 . 1 76 76 ALA CA C 13 55.150 0.400 . 1 . . . . . 76 ALA CA . 50088 1 905 . 1 . 1 76 76 ALA CB C 13 17.970 0.400 . 1 . . . . . 76 ALA CB . 50088 1 906 . 1 . 1 76 76 ALA N N 15 120.502 0.400 . 1 . . . . . 76 ALA N . 50088 1 907 . 1 . 1 77 77 HIS H H 1 7.925 0.020 . 1 . . . . . 77 HIS H . 50088 1 908 . 1 . 1 77 77 HIS HA H 1 3.910 0.020 . 1 . . . . . 77 HIS HA . 50088 1 909 . 1 . 1 77 77 HIS HB2 H 1 2.703 0.020 . 2 . . . . . 77 HIS HB2 . 50088 1 910 . 1 . 1 77 77 HIS HB3 H 1 3.272 0.020 . 2 . . . . . 77 HIS HB3 . 50088 1 911 . 1 . 1 77 77 HIS HD2 H 1 6.052 0.020 . 1 . . . . . 77 HIS HD2 . 50088 1 912 . 1 . 1 77 77 HIS C C 13 175.380 0.400 . 1 . . . . . 77 HIS C . 50088 1 913 . 1 . 1 77 77 HIS CA C 13 57.310 0.400 . 1 . . . . . 77 HIS CA . 50088 1 914 . 1 . 1 77 77 HIS CB C 13 28.153 0.400 . 1 . . . . . 77 HIS CB . 50088 1 915 . 1 . 1 77 77 HIS CD2 C 13 116.665 0.400 . 1 . . . . . 77 HIS CD2 . 50088 1 916 . 1 . 1 77 77 HIS N N 15 119.119 0.400 . 1 . . . . . 77 HIS N . 50088 1 917 . 1 . 1 78 78 TYR H H 1 9.471 0.020 . 1 . . . . . 78 TYR H . 50088 1 918 . 1 . 1 78 78 TYR HA H 1 4.310 0.020 . 1 . . . . . 78 TYR HA . 50088 1 919 . 1 . 1 78 78 TYR HB2 H 1 3.174 0.020 . 2 . . . . . 78 TYR HB2 . 50088 1 920 . 1 . 1 78 78 TYR HB3 H 1 3.354 0.020 . 2 . . . . . 78 TYR HB3 . 50088 1 921 . 1 . 1 78 78 TYR HD1 H 1 7.201 0.020 . 1 . . . . . 78 TYR HD1 . 50088 1 922 . 1 . 1 78 78 TYR HD2 H 1 7.201 0.020 . 1 . . . . . 78 TYR HD2 . 50088 1 923 . 1 . 1 78 78 TYR HE1 H 1 6.788 0.020 . 1 . . . . . 78 TYR HE1 . 50088 1 924 . 1 . 1 78 78 TYR HE2 H 1 6.788 0.020 . 1 . . . . . 78 TYR HE2 . 50088 1 925 . 1 . 1 78 78 TYR C C 13 178.320 0.400 . 1 . . . . . 78 TYR C . 50088 1 926 . 1 . 1 78 78 TYR CA C 13 62.470 0.400 . 1 . . . . . 78 TYR CA . 50088 1 927 . 1 . 1 78 78 TYR CB C 13 38.058 0.400 . 1 . . . . . 78 TYR CB . 50088 1 928 . 1 . 1 78 78 TYR CD1 C 13 121.138 0.400 . 3 . . . . . 78 TYR CD1 . 50088 1 929 . 1 . 1 78 78 TYR CD2 C 13 121.138 0.400 . 3 . . . . . 78 TYR CD2 . 50088 1 930 . 1 . 1 78 78 TYR CE1 C 13 121.780 0.400 . 3 . . . . . 78 TYR CE1 . 50088 1 931 . 1 . 1 78 78 TYR CE2 C 13 121.780 0.400 . 3 . . . . . 78 TYR CE2 . 50088 1 932 . 1 . 1 78 78 TYR N N 15 122.875 0.400 . 1 . . . . . 78 TYR N . 50088 1 933 . 1 . 1 79 79 ASN H H 1 9.259 0.020 . 1 . . . . . 79 ASN H . 50088 1 934 . 1 . 1 79 79 ASN HA H 1 4.510 0.020 . 1 . . . . . 79 ASN HA . 50088 1 935 . 1 . 1 79 79 ASN HB2 H 1 2.994 0.020 . 2 . . . . . 79 ASN HB2 . 50088 1 936 . 1 . 1 79 79 ASN HB3 H 1 2.922 0.020 . 2 . . . . . 79 ASN HB3 . 50088 1 937 . 1 . 1 79 79 ASN HD21 H 1 6.883 0.020 . 2 . . . . . 79 ASN HD21 . 50088 1 938 . 1 . 1 79 79 ASN HD22 H 1 7.682 0.020 . 2 . . . . . 79 ASN HD22 . 50088 1 939 . 1 . 1 79 79 ASN C C 13 178.260 0.400 . 1 . . . . . 79 ASN C . 50088 1 940 . 1 . 1 79 79 ASN CA C 13 55.430 0.400 . 1 . . . . . 79 ASN CA . 50088 1 941 . 1 . 1 79 79 ASN CB C 13 37.055 0.400 . 1 . . . . . 79 ASN CB . 50088 1 942 . 1 . 1 79 79 ASN N N 15 119.127 0.400 . 1 . . . . . 79 ASN N . 50088 1 943 . 1 . 1 79 79 ASN ND2 N 15 110.892 0.400 . 1 . . . . . 79 ASN ND2 . 50088 1 944 . 1 . 1 80 80 ALA H H 1 7.968 0.020 . 1 . . . . . 80 ALA H . 50088 1 945 . 1 . 1 80 80 ALA HA H 1 4.260 0.020 . 1 . . . . . 80 ALA HA . 50088 1 946 . 1 . 1 80 80 ALA HB1 H 1 1.570 0.020 . 1 . . . . . 80 ALA HB1 . 50088 1 947 . 1 . 1 80 80 ALA HB2 H 1 1.570 0.020 . 1 . . . . . 80 ALA HB2 . 50088 1 948 . 1 . 1 80 80 ALA HB3 H 1 1.570 0.020 . 1 . . . . . 80 ALA HB3 . 50088 1 949 . 1 . 1 80 80 ALA C C 13 178.960 0.400 . 1 . . . . . 80 ALA C . 50088 1 950 . 1 . 1 80 80 ALA CA C 13 55.350 0.400 . 1 . . . . . 80 ALA CA . 50088 1 951 . 1 . 1 80 80 ALA CB C 13 18.480 0.400 . 1 . . . . . 80 ALA CB . 50088 1 952 . 1 . 1 80 80 ALA N N 15 124.549 0.400 . 1 . . . . . 80 ALA N . 50088 1 953 . 1 . 1 81 81 VAL H H 1 8.358 0.020 . 1 . . . . . 81 VAL H . 50088 1 954 . 1 . 1 81 81 VAL HA H 1 3.420 0.020 . 1 . . . . . 81 VAL HA . 50088 1 955 . 1 . 1 81 81 VAL HB H 1 2.109 0.020 . 1 . . . . . 81 VAL HB . 50088 1 956 . 1 . 1 81 81 VAL HG11 H 1 0.699 0.020 . 2 . . . . . 81 VAL HG11 . 50088 1 957 . 1 . 1 81 81 VAL HG12 H 1 0.699 0.020 . 2 . . . . . 81 VAL HG12 . 50088 1 958 . 1 . 1 81 81 VAL HG13 H 1 0.699 0.020 . 2 . . . . . 81 VAL HG13 . 50088 1 959 . 1 . 1 81 81 VAL HG21 H 1 1.158 0.020 . 2 . . . . . 81 VAL HG21 . 50088 1 960 . 1 . 1 81 81 VAL HG22 H 1 1.158 0.020 . 2 . . . . . 81 VAL HG22 . 50088 1 961 . 1 . 1 81 81 VAL HG23 H 1 1.158 0.020 . 2 . . . . . 81 VAL HG23 . 50088 1 962 . 1 . 1 81 81 VAL C C 13 177.200 0.400 . 1 . . . . . 81 VAL C . 50088 1 963 . 1 . 1 81 81 VAL CA C 13 67.150 0.400 . 1 . . . . . 81 VAL CA . 50088 1 964 . 1 . 1 81 81 VAL CB C 13 31.441 0.400 . 1 . . . . . 81 VAL CB . 50088 1 965 . 1 . 1 81 81 VAL CG1 C 13 21.971 0.400 . 2 . . . . . 81 VAL CG1 . 50088 1 966 . 1 . 1 81 81 VAL CG2 C 13 23.140 0.400 . 2 . . . . . 81 VAL CG2 . 50088 1 967 . 1 . 1 81 81 VAL N N 15 118.191 0.400 . 1 . . . . . 81 VAL N . 50088 1 968 . 1 . 1 82 82 HIS H H 1 8.447 0.020 . 1 . . . . . 82 HIS H . 50088 1 969 . 1 . 1 82 82 HIS HA H 1 4.040 0.020 . 1 . . . . . 82 HIS HA . 50088 1 970 . 1 . 1 82 82 HIS HB2 H 1 3.225 0.020 . 2 . . . . . 82 HIS HB2 . 50088 1 971 . 1 . 1 82 82 HIS HB3 H 1 2.956 0.020 . 2 . . . . . 82 HIS HB3 . 50088 1 972 . 1 . 1 82 82 HIS HD2 H 1 6.875 0.020 . 1 . . . . . 82 HIS HD2 . 50088 1 973 . 1 . 1 82 82 HIS C C 13 177.120 0.400 . 1 . . . . . 82 HIS C . 50088 1 974 . 1 . 1 82 82 HIS CA C 13 60.160 0.400 . 1 . . . . . 82 HIS CA . 50088 1 975 . 1 . 1 82 82 HIS CB C 13 27.730 0.400 . 1 . . . . . 82 HIS CB . 50088 1 976 . 1 . 1 82 82 HIS CD2 C 13 119.460 0.400 . 1 . . . . . 82 HIS CD2 . 50088 1 977 . 1 . 1 82 82 HIS N N 15 115.938 0.400 . 1 . . . . . 82 HIS N . 50088 1 978 . 1 . 1 83 83 SER H H 1 8.652 0.020 . 1 . . . . . 83 SER H . 50088 1 979 . 1 . 1 83 83 SER HA H 1 4.310 0.020 . 1 . . . . . 83 SER HA . 50088 1 980 . 1 . 1 83 83 SER HB2 H 1 4.017 0.020 . 2 . . . . . 83 SER HB2 . 50088 1 981 . 1 . 1 83 83 SER HB3 H 1 4.017 0.020 . 2 . . . . . 83 SER HB3 . 50088 1 982 . 1 . 1 83 83 SER C C 13 176.720 0.400 . 1 . . . . . 83 SER C . 50088 1 983 . 1 . 1 83 83 SER CA C 13 61.353 0.400 . 1 . . . . . 83 SER CA . 50088 1 984 . 1 . 1 83 83 SER CB C 13 62.562 0.400 . 1 . . . . . 83 SER CB . 50088 1 985 . 1 . 1 83 83 SER N N 15 116.378 0.400 . 1 . . . . . 83 SER N . 50088 1 986 . 1 . 1 84 84 ALA H H 1 8.359 0.020 . 1 . . . . . 84 ALA H . 50088 1 987 . 1 . 1 84 84 ALA HA H 1 4.020 0.020 . 1 . . . . . 84 ALA HA . 50088 1 988 . 1 . 1 84 84 ALA HB1 H 1 1.360 0.020 . 1 . . . . . 84 ALA HB1 . 50088 1 989 . 1 . 1 84 84 ALA HB2 H 1 1.360 0.020 . 1 . . . . . 84 ALA HB2 . 50088 1 990 . 1 . 1 84 84 ALA HB3 H 1 1.360 0.020 . 1 . . . . . 84 ALA HB3 . 50088 1 991 . 1 . 1 84 84 ALA C C 13 178.370 0.400 . 1 . . . . . 84 ALA C . 50088 1 992 . 1 . 1 84 84 ALA CA C 13 55.030 0.400 . 1 . . . . . 84 ALA CA . 50088 1 993 . 1 . 1 84 84 ALA CB C 13 18.390 0.400 . 1 . . . . . 84 ALA CB . 50088 1 994 . 1 . 1 84 84 ALA N N 15 124.208 0.400 . 1 . . . . . 84 ALA N . 50088 1 995 . 1 . 1 85 85 ALA H H 1 8.106 0.020 . 1 . . . . . 85 ALA H . 50088 1 996 . 1 . 1 85 85 ALA HA H 1 3.630 0.020 . 1 . . . . . 85 ALA HA . 50088 1 997 . 1 . 1 85 85 ALA HB1 H 1 1.180 0.020 . 1 . . . . . 85 ALA HB1 . 50088 1 998 . 1 . 1 85 85 ALA HB2 H 1 1.180 0.020 . 1 . . . . . 85 ALA HB2 . 50088 1 999 . 1 . 1 85 85 ALA HB3 H 1 1.180 0.020 . 1 . . . . . 85 ALA HB3 . 50088 1 1000 . 1 . 1 85 85 ALA C C 13 179.500 0.400 . 1 . . . . . 85 ALA C . 50088 1 1001 . 1 . 1 85 85 ALA CA C 13 56.180 0.400 . 1 . . . . . 85 ALA CA . 50088 1 1002 . 1 . 1 85 85 ALA CB C 13 18.440 0.400 . 1 . . . . . 85 ALA CB . 50088 1 1003 . 1 . 1 85 85 ALA N N 15 120.060 0.400 . 1 . . . . . 85 ALA N . 50088 1 1004 . 1 . 1 86 86 LYS H H 1 8.009 0.020 . 1 . . . . . 86 LYS H . 50088 1 1005 . 1 . 1 86 86 LYS HA H 1 4.130 0.020 . 1 . . . . . 86 LYS HA . 50088 1 1006 . 1 . 1 86 86 LYS HB2 H 1 1.953 0.020 . 2 . . . . . 86 LYS HB2 . 50088 1 1007 . 1 . 1 86 86 LYS HB3 H 1 2.026 0.020 . 2 . . . . . 86 LYS HB3 . 50088 1 1008 . 1 . 1 86 86 LYS HG2 H 1 1.542 0.020 . 2 . . . . . 86 LYS HG2 . 50088 1 1009 . 1 . 1 86 86 LYS HG3 H 1 1.484 0.020 . 2 . . . . . 86 LYS HG3 . 50088 1 1010 . 1 . 1 86 86 LYS HD2 H 1 1.693 0.020 . 2 . . . . . 86 LYS HD2 . 50088 1 1011 . 1 . 1 86 86 LYS HD3 H 1 1.693 0.020 . 2 . . . . . 86 LYS HD3 . 50088 1 1012 . 1 . 1 86 86 LYS HE2 H 1 3.005 0.020 . 2 . . . . . 86 LYS HE2 . 50088 1 1013 . 1 . 1 86 86 LYS HE3 H 1 3.005 0.020 . 2 . . . . . 86 LYS HE3 . 50088 1 1014 . 1 . 1 86 86 LYS C C 13 180.560 0.400 . 1 . . . . . 86 LYS C . 50088 1 1015 . 1 . 1 86 86 LYS CA C 13 59.100 0.400 . 1 . . . . . 86 LYS CA . 50088 1 1016 . 1 . 1 86 86 LYS CB C 13 31.803 0.400 . 1 . . . . . 86 LYS CB . 50088 1 1017 . 1 . 1 86 86 LYS CG C 13 24.641 0.400 . 1 . . . . . 86 LYS CG . 50088 1 1018 . 1 . 1 86 86 LYS CD C 13 29.198 0.400 . 1 . . . . . 86 LYS CD . 50088 1 1019 . 1 . 1 86 86 LYS CE C 13 41.977 0.400 . 1 . . . . . 86 LYS CE . 50088 1 1020 . 1 . 1 86 86 LYS N N 15 119.251 0.400 . 1 . . . . . 86 LYS N . 50088 1 1021 . 1 . 1 87 87 THR H H 1 8.601 0.020 . 1 . . . . . 87 THR H . 50088 1 1022 . 1 . 1 87 87 THR HA H 1 3.904 0.020 . 1 . . . . . 87 THR HA . 50088 1 1023 . 1 . 1 87 87 THR HB H 1 4.374 0.020 . 1 . . . . . 87 THR HB . 50088 1 1024 . 1 . 1 87 87 THR HG21 H 1 1.291 0.020 . 1 . . . . . 87 THR HG21 . 50088 1 1025 . 1 . 1 87 87 THR HG22 H 1 1.291 0.020 . 1 . . . . . 87 THR HG22 . 50088 1 1026 . 1 . 1 87 87 THR HG23 H 1 1.291 0.020 . 1 . . . . . 87 THR HG23 . 50088 1 1027 . 1 . 1 87 87 THR C C 13 175.240 0.400 . 1 . . . . . 87 THR C . 50088 1 1028 . 1 . 1 87 87 THR CA C 13 66.692 0.400 . 1 . . . . . 87 THR CA . 50088 1 1029 . 1 . 1 87 87 THR CB C 13 68.713 0.400 . 1 . . . . . 87 THR CB . 50088 1 1030 . 1 . 1 87 87 THR CG2 C 13 22.594 0.400 . 1 . . . . . 87 THR CG2 . 50088 1 1031 . 1 . 1 87 87 THR N N 15 118.889 0.400 . 1 . . . . . 87 THR N . 50088 1 1032 . 1 . 1 88 88 MET H H 1 7.301 0.020 . 1 . . . . . 88 MET H . 50088 1 1033 . 1 . 1 88 88 MET HA H 1 4.210 0.020 . 1 . . . . . 88 MET HA . 50088 1 1034 . 1 . 1 88 88 MET HB2 H 1 2.093 0.020 . 2 . . . . . 88 MET HB2 . 50088 1 1035 . 1 . 1 88 88 MET HB3 H 1 2.187 0.020 . 2 . . . . . 88 MET HB3 . 50088 1 1036 . 1 . 1 88 88 MET HG2 H 1 1.951 0.020 . 2 . . . . . 88 MET HG2 . 50088 1 1037 . 1 . 1 88 88 MET HG3 H 1 2.731 0.020 . 2 . . . . . 88 MET HG3 . 50088 1 1038 . 1 . 1 88 88 MET HE1 H 1 1.806 0.020 . 1 . . . . . 88 MET HE1 . 50088 1 1039 . 1 . 1 88 88 MET HE2 H 1 1.806 0.020 . 1 . . . . . 88 MET HE2 . 50088 1 1040 . 1 . 1 88 88 MET HE3 H 1 1.806 0.020 . 1 . . . . . 88 MET HE3 . 50088 1 1041 . 1 . 1 88 88 MET C C 13 174.540 0.400 . 1 . . . . . 88 MET C . 50088 1 1042 . 1 . 1 88 88 MET CA C 13 57.520 0.400 . 1 . . . . . 88 MET CA . 50088 1 1043 . 1 . 1 88 88 MET CB C 13 35.066 0.400 . 1 . . . . . 88 MET CB . 50088 1 1044 . 1 . 1 88 88 MET CG C 13 32.654 0.400 . 1 . . . . . 88 MET CG . 50088 1 1045 . 1 . 1 88 88 MET CE C 13 16.269 0.400 . 1 . . . . . 88 MET CE . 50088 1 1046 . 1 . 1 88 88 MET N N 15 115.319 0.400 . 1 . . . . . 88 MET N . 50088 1 1047 . 1 . 1 89 89 GLY H H 1 8.033 0.020 . 1 . . . . . 89 GLY H . 50088 1 1048 . 1 . 1 89 89 GLY HA2 H 1 4.140 0.020 . 2 . . . . . 89 GLY HA2 . 50088 1 1049 . 1 . 1 89 89 GLY HA3 H 1 3.900 0.020 . 2 . . . . . 89 GLY HA3 . 50088 1 1050 . 1 . 1 89 89 GLY C C 13 174.100 0.400 . 1 . . . . . 89 GLY C . 50088 1 1051 . 1 . 1 89 89 GLY CA C 13 45.900 0.400 . 1 . . . . . 89 GLY CA . 50088 1 1052 . 1 . 1 89 89 GLY N N 15 108.661 0.400 . 1 . . . . . 89 GLY N . 50088 1 1053 . 1 . 1 90 90 ILE H H 1 7.899 0.020 . 1 . . . . . 90 ILE H . 50088 1 1054 . 1 . 1 90 90 ILE HA H 1 4.000 0.020 . 1 . . . . . 90 ILE HA . 50088 1 1055 . 1 . 1 90 90 ILE HB H 1 1.480 0.020 . 1 . . . . . 90 ILE HB . 50088 1 1056 . 1 . 1 90 90 ILE HG12 H 1 0.793 0.020 . 2 . . . . . 90 ILE HG12 . 50088 1 1057 . 1 . 1 90 90 ILE HG13 H 1 1.571 0.020 . 2 . . . . . 90 ILE HG13 . 50088 1 1058 . 1 . 1 90 90 ILE HG21 H 1 1.023 0.020 . 1 . . . . . 90 ILE HG21 . 50088 1 1059 . 1 . 1 90 90 ILE HG22 H 1 1.023 0.020 . 1 . . . . . 90 ILE HG22 . 50088 1 1060 . 1 . 1 90 90 ILE HG23 H 1 1.023 0.020 . 1 . . . . . 90 ILE HG23 . 50088 1 1061 . 1 . 1 90 90 ILE HD11 H 1 0.921 0.020 . 1 . . . . . 90 ILE HD11 . 50088 1 1062 . 1 . 1 90 90 ILE HD12 H 1 0.921 0.020 . 1 . . . . . 90 ILE HD12 . 50088 1 1063 . 1 . 1 90 90 ILE HD13 H 1 0.921 0.020 . 1 . . . . . 90 ILE HD13 . 50088 1 1064 . 1 . 1 90 90 ILE C C 13 174.440 0.400 . 1 . . . . . 90 ILE C . 50088 1 1065 . 1 . 1 90 90 ILE CA C 13 61.150 0.400 . 1 . . . . . 90 ILE CA . 50088 1 1066 . 1 . 1 90 90 ILE CB C 13 40.221 0.400 . 1 . . . . . 90 ILE CB . 50088 1 1067 . 1 . 1 90 90 ILE CG1 C 13 27.710 0.400 . 1 . . . . . 90 ILE CG1 . 50088 1 1068 . 1 . 1 90 90 ILE CG2 C 13 18.718 0.400 . 1 . . . . . 90 ILE CG2 . 50088 1 1069 . 1 . 1 90 90 ILE CD1 C 13 14.042 0.400 . 1 . . . . . 90 ILE CD1 . 50088 1 1070 . 1 . 1 90 90 ILE N N 15 118.792 0.400 . 1 . . . . . 90 ILE N . 50088 1 1071 . 1 . 1 91 91 ASP H H 1 8.609 0.020 . 1 . . . . . 91 ASP H . 50088 1 1072 . 1 . 1 91 91 ASP HA H 1 4.970 0.020 . 1 . . . . . 91 ASP HA . 50088 1 1073 . 1 . 1 91 91 ASP HB2 H 1 2.898 0.020 . 2 . . . . . 91 ASP HB2 . 50088 1 1074 . 1 . 1 91 91 ASP HB3 H 1 2.898 0.020 . 2 . . . . . 91 ASP HB3 . 50088 1 1075 . 1 . 1 91 91 ASP C C 13 175.180 0.400 . 1 . . . . . 91 ASP C . 50088 1 1076 . 1 . 1 91 91 ASP CA C 13 54.200 0.400 . 1 . . . . . 91 ASP CA . 50088 1 1077 . 1 . 1 91 91 ASP CB C 13 40.491 0.400 . 1 . . . . . 91 ASP CB . 50088 1 1078 . 1 . 1 91 91 ASP N N 15 124.017 0.400 . 1 . . . . . 91 ASP N . 50088 1 1079 . 1 . 1 92 92 THR H H 1 8.284 0.020 . 1 . . . . . 92 THR H . 50088 1 1080 . 1 . 1 92 92 THR HA H 1 4.340 0.020 . 1 . . . . . 92 THR HA . 50088 1 1081 . 1 . 1 92 92 THR HB H 1 4.040 0.020 . 1 . . . . . 92 THR HB . 50088 1 1082 . 1 . 1 92 92 THR HG21 H 1 1.102 0.020 . 1 . . . . . 92 THR HG21 . 50088 1 1083 . 1 . 1 92 92 THR HG22 H 1 1.102 0.020 . 1 . . . . . 92 THR HG22 . 50088 1 1084 . 1 . 1 92 92 THR HG23 H 1 1.102 0.020 . 1 . . . . . 92 THR HG23 . 50088 1 1085 . 1 . 1 92 92 THR C C 13 171.840 0.400 . 1 . . . . . 92 THR C . 50088 1 1086 . 1 . 1 92 92 THR CA C 13 61.240 0.400 . 1 . . . . . 92 THR CA . 50088 1 1087 . 1 . 1 92 92 THR CB C 13 70.350 0.400 . 1 . . . . . 92 THR CB . 50088 1 1088 . 1 . 1 92 92 THR CG2 C 13 20.766 0.400 . 1 . . . . . 92 THR CG2 . 50088 1 1089 . 1 . 1 92 92 THR N N 15 114.339 0.400 . 1 . . . . . 92 THR N . 50088 1 1090 . 1 . 1 93 93 TRP H H 1 7.549 0.020 . 1 . . . . . 93 TRP H . 50088 1 1091 . 1 . 1 93 93 TRP HA H 1 4.540 0.020 . 1 . . . . . 93 TRP HA . 50088 1 1092 . 1 . 1 93 93 TRP HB2 H 1 3.298 0.020 . 2 . . . . . 93 TRP HB2 . 50088 1 1093 . 1 . 1 93 93 TRP HB3 H 1 3.243 0.020 . 2 . . . . . 93 TRP HB3 . 50088 1 1094 . 1 . 1 93 93 TRP HD1 H 1 6.701 0.020 . 1 . . . . . 93 TRP HD1 . 50088 1 1095 . 1 . 1 93 93 TRP HE1 H 1 9.419 0.020 . 1 . . . . . 93 TRP HE1 . 50088 1 1096 . 1 . 1 93 93 TRP HE3 H 1 6.743 0.020 . 1 . . . . . 93 TRP HE3 . 50088 1 1097 . 1 . 1 93 93 TRP HZ2 H 1 6.743 0.020 . 1 . . . . . 93 TRP HZ2 . 50088 1 1098 . 1 . 1 93 93 TRP HH2 H 1 6.865 0.020 . 1 . . . . . 93 TRP HH2 . 50088 1 1099 . 1 . 1 93 93 TRP C C 13 178.790 0.400 . 1 . . . . . 93 TRP C . 50088 1 1100 . 1 . 1 93 93 TRP CA C 13 58.180 0.400 . 1 . . . . . 93 TRP CA . 50088 1 1101 . 1 . 1 93 93 TRP CB C 13 29.442 0.400 . 1 . . . . . 93 TRP CB . 50088 1 1102 . 1 . 1 93 93 TRP CD1 C 13 126.293 0.400 . 1 . . . . . 93 TRP CD1 . 50088 1 1103 . 1 . 1 93 93 TRP CE3 C 13 126.306 0.400 . 1 . . . . . 93 TRP CE3 . 50088 1 1104 . 1 . 1 93 93 TRP CZ2 C 13 113.141 0.400 . 1 . . . . . 93 TRP CZ2 . 50088 1 1105 . 1 . 1 93 93 TRP CH2 C 13 126.306 0.400 . 1 . . . . . 93 TRP CH2 . 50088 1 1106 . 1 . 1 93 93 TRP N N 15 126.688 0.400 . 1 . . . . . 93 TRP N . 50088 1 1107 . 1 . 1 93 93 TRP NE1 N 15 126.626 0.400 . 1 . . . . . 93 TRP NE1 . 50088 1 stop_ save_