data_25627 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25627 _Entry.Title ; Solution structure of the meiosis-expressed gene 1 (Meig1) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-05-16 _Entry.Accession_date 2015-05-16 _Entry.Last_release_date 2016-01-19 _Entry.Original_release_date 2016-01-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 David Williams . C. Jr. 25627 2 Ninad Walavalkar . M. . 25627 3 William Buchwald . A. . 25627 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25627 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PROTEIN . 25627 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25627 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 410 25627 '15N chemical shifts' 99 25627 '1H chemical shifts' 623 25627 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-01-19 . original BMRB . 25627 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N2Y 'BMRB Entry Tracking System' 25627 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25627 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26726850 _Citation.Full_citation . _Citation.Title ; Dissecting the structural basis of MEIG1 interaction with PACRG ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 6 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 18278 _Citation.Page_last 18278 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Wei Li . . . 25627 1 2 Ninad Walavalkar . M. . 25627 1 3 William Buchwald . A. . 25627 1 4 Maria Teves . E. . 25627 1 5 Ling Zhang . . . 25627 1 6 Junping Liu . . . 25627 1 7 S. Bilinovich . . . 25627 1 8 Darrell Peterson . . . 25627 1 9 Jerome Strauss . F. III 25627 1 10 David Williams . C. Jr. 25627 1 11 Zhibing Zhang . . . 25627 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25627 _Assembly.ID 1 _Assembly.Name 'meiosis-expressed gene 1 (Meig1)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 25627 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25627 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; GSHMMATSDVKPKSISRAKK WSEEIENLYRFQQAGYRDEI EYKQVKQVAMVDRWPETGYV KKLQRRDNTFFYYNKERECE DKEVHKVKVYVY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11256.876 _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 -3 GLY . 25627 1 2 -2 SER . 25627 1 3 -1 HIS . 25627 1 4 0 MET . 25627 1 5 1 MET . 25627 1 6 2 ALA . 25627 1 7 3 THR . 25627 1 8 4 SER . 25627 1 9 5 ASP . 25627 1 10 6 VAL . 25627 1 11 7 LYS . 25627 1 12 8 PRO . 25627 1 13 9 LYS . 25627 1 14 10 SER . 25627 1 15 11 ILE . 25627 1 16 12 SER . 25627 1 17 13 ARG . 25627 1 18 14 ALA . 25627 1 19 15 LYS . 25627 1 20 16 LYS . 25627 1 21 17 TRP . 25627 1 22 18 SER . 25627 1 23 19 GLU . 25627 1 24 20 GLU . 25627 1 25 21 ILE . 25627 1 26 22 GLU . 25627 1 27 23 ASN . 25627 1 28 24 LEU . 25627 1 29 25 TYR . 25627 1 30 26 ARG . 25627 1 31 27 PHE . 25627 1 32 28 GLN . 25627 1 33 29 GLN . 25627 1 34 30 ALA . 25627 1 35 31 GLY . 25627 1 36 32 TYR . 25627 1 37 33 ARG . 25627 1 38 34 ASP . 25627 1 39 35 GLU . 25627 1 40 36 ILE . 25627 1 41 37 GLU . 25627 1 42 38 TYR . 25627 1 43 39 LYS . 25627 1 44 40 GLN . 25627 1 45 41 VAL . 25627 1 46 42 LYS . 25627 1 47 43 GLN . 25627 1 48 44 VAL . 25627 1 49 45 ALA . 25627 1 50 46 MET . 25627 1 51 47 VAL . 25627 1 52 48 ASP . 25627 1 53 49 ARG . 25627 1 54 50 TRP . 25627 1 55 51 PRO . 25627 1 56 52 GLU . 25627 1 57 53 THR . 25627 1 58 54 GLY . 25627 1 59 55 TYR . 25627 1 60 56 VAL . 25627 1 61 57 LYS . 25627 1 62 58 LYS . 25627 1 63 59 LEU . 25627 1 64 60 GLN . 25627 1 65 61 ARG . 25627 1 66 62 ARG . 25627 1 67 63 ASP . 25627 1 68 64 ASN . 25627 1 69 65 THR . 25627 1 70 66 PHE . 25627 1 71 67 PHE . 25627 1 72 68 TYR . 25627 1 73 69 TYR . 25627 1 74 70 ASN . 25627 1 75 71 LYS . 25627 1 76 72 GLU . 25627 1 77 73 ARG . 25627 1 78 74 GLU . 25627 1 79 75 CYS . 25627 1 80 76 GLU . 25627 1 81 77 ASP . 25627 1 82 78 LYS . 25627 1 83 79 GLU . 25627 1 84 80 VAL . 25627 1 85 81 HIS . 25627 1 86 82 LYS . 25627 1 87 83 VAL . 25627 1 88 84 LYS . 25627 1 89 85 VAL . 25627 1 90 86 TYR . 25627 1 91 87 VAL . 25627 1 92 88 TYR . 25627 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25627 1 . SER 2 2 25627 1 . HIS 3 3 25627 1 . MET 4 4 25627 1 . MET 5 5 25627 1 . ALA 6 6 25627 1 . THR 7 7 25627 1 . SER 8 8 25627 1 . ASP 9 9 25627 1 . VAL 10 10 25627 1 . LYS 11 11 25627 1 . PRO 12 12 25627 1 . LYS 13 13 25627 1 . SER 14 14 25627 1 . ILE 15 15 25627 1 . SER 16 16 25627 1 . ARG 17 17 25627 1 . ALA 18 18 25627 1 . LYS 19 19 25627 1 . LYS 20 20 25627 1 . TRP 21 21 25627 1 . SER 22 22 25627 1 . GLU 23 23 25627 1 . GLU 24 24 25627 1 . ILE 25 25 25627 1 . GLU 26 26 25627 1 . ASN 27 27 25627 1 . LEU 28 28 25627 1 . TYR 29 29 25627 1 . ARG 30 30 25627 1 . PHE 31 31 25627 1 . GLN 32 32 25627 1 . GLN 33 33 25627 1 . ALA 34 34 25627 1 . GLY 35 35 25627 1 . TYR 36 36 25627 1 . ARG 37 37 25627 1 . ASP 38 38 25627 1 . GLU 39 39 25627 1 . ILE 40 40 25627 1 . GLU 41 41 25627 1 . TYR 42 42 25627 1 . LYS 43 43 25627 1 . GLN 44 44 25627 1 . VAL 45 45 25627 1 . LYS 46 46 25627 1 . GLN 47 47 25627 1 . VAL 48 48 25627 1 . ALA 49 49 25627 1 . MET 50 50 25627 1 . VAL 51 51 25627 1 . ASP 52 52 25627 1 . ARG 53 53 25627 1 . TRP 54 54 25627 1 . PRO 55 55 25627 1 . GLU 56 56 25627 1 . THR 57 57 25627 1 . GLY 58 58 25627 1 . TYR 59 59 25627 1 . VAL 60 60 25627 1 . LYS 61 61 25627 1 . LYS 62 62 25627 1 . LEU 63 63 25627 1 . GLN 64 64 25627 1 . ARG 65 65 25627 1 . ARG 66 66 25627 1 . ASP 67 67 25627 1 . ASN 68 68 25627 1 . THR 69 69 25627 1 . PHE 70 70 25627 1 . PHE 71 71 25627 1 . TYR 72 72 25627 1 . TYR 73 73 25627 1 . ASN 74 74 25627 1 . LYS 75 75 25627 1 . GLU 76 76 25627 1 . ARG 77 77 25627 1 . GLU 78 78 25627 1 . CYS 79 79 25627 1 . GLU 80 80 25627 1 . ASP 81 81 25627 1 . LYS 82 82 25627 1 . GLU 83 83 25627 1 . VAL 84 84 25627 1 . HIS 85 85 25627 1 . LYS 86 86 25627 1 . VAL 87 87 25627 1 . LYS 88 88 25627 1 . VAL 89 89 25627 1 . TYR 90 90 25627 1 . VAL 91 91 25627 1 . TYR 92 92 25627 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25627 _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 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 25627 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 25627 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28a . . . 25627 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25627 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25627 1 2 Meig1 '[U-99% 13C; U-99% 15N]' . . 1 $entity . . . 0.5 1 mM . . . . 25627 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25627 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25627 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 25627 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 40 . mM 25627 1 pH 6.5 . pH 25627 1 pressure 1 . atm 25627 1 temperature 298 . K 25627 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25627 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25627 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25627 1 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 25627 _Software.ID 2 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25627 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25627 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25627 _Software.ID 3 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25627 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25627 3 'structure solution' 25627 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25627 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25627 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25627 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25627 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25627 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25627 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 25627 1 2 spectrometer_2 Bruker Avance . 850 . . . 25627 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25627 _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 $spectrometer_1 . . . . . . . . . . . . . . . . 25627 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25627 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25627 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25627 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25627 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25627 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25627 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25627 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25627 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25627 1 11 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25627 1 12 '2D IPAP-HSQC' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25627 1 13 '2D IPAP-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25627 1 14 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25627 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25627 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 25627 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 25627 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 25627 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25627 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25627 1 2 '3D CBCA(CO)NH' . . . 25627 1 3 '3D C(CO)NH' . . . 25627 1 4 '3D HNCO' . . . 25627 1 5 '3D HNCA' . . . 25627 1 6 '3D HNCACB' . . . 25627 1 7 '3D HBHA(CO)NH' . . . 25627 1 8 '3D HCCH-TOCSY' . . . 25627 1 9 '3D 1H-15N NOESY' . . . 25627 1 10 '3D 1H-13C NOESY' . . . 25627 1 14 '2D 1H-13C HSQC aromatic' . . . 25627 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CcpNMR . . 25627 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 HIS HA H 1 4.130 0.000 . 1 . . . A -1 HIS HA . 25627 1 2 . 1 1 3 3 HIS HB2 H 1 3.087 0.000 . 2 . . . A -1 HIS HB2 . 25627 1 3 . 1 1 3 3 HIS HB3 H 1 2.827 0.000 . 2 . . . A -1 HIS HB3 . 25627 1 4 . 1 1 3 3 HIS CA C 13 54.849 0.000 . 1 . . . A -1 HIS CA . 25627 1 5 . 1 1 3 3 HIS CB C 13 31.673 0.000 . 1 . . . A -1 HIS CB . 25627 1 6 . 1 1 4 4 MET H H 1 8.332 0.003 . 1 . . . A 0 MET H . 25627 1 7 . 1 1 4 4 MET HA H 1 4.350 0.000 . 1 . . . A 0 MET HA . 25627 1 8 . 1 1 4 4 MET HB2 H 1 1.977 0.010 . 1 . . . A 0 MET HB2 . 25627 1 9 . 1 1 4 4 MET HG2 H 1 2.298 0.013 . 2 . . . A 0 MET HG2 . 25627 1 10 . 1 1 4 4 MET HG3 H 1 2.132 0.000 . 2 . . . A 0 MET HG3 . 25627 1 11 . 1 1 4 4 MET C C 13 175.829 0.000 . 1 . . . A 0 MET C . 25627 1 12 . 1 1 4 4 MET CA C 13 55.134 0.000 . 1 . . . A 0 MET CA . 25627 1 13 . 1 1 4 4 MET CB C 13 32.391 0.000 . 1 . . . A 0 MET CB . 25627 1 14 . 1 1 4 4 MET N N 15 120.413 0.016 . 1 . . . A 0 MET N . 25627 1 15 . 1 1 5 5 MET H H 1 8.287 0.003 . 1 . . . A 1 MET H . 25627 1 16 . 1 1 5 5 MET HA H 1 4.443 0.001 . 1 . . . A 1 MET HA . 25627 1 17 . 1 1 5 5 MET HB2 H 1 1.987 0.000 . 1 . . . A 1 MET HB2 . 25627 1 18 . 1 1 5 5 MET HB3 H 1 1.988 0.000 . 1 . . . A 1 MET HB3 . 25627 1 19 . 1 1 5 5 MET HG2 H 1 2.551 0.000 . 1 . . . A 1 MET HG2 . 25627 1 20 . 1 1 5 5 MET C C 13 175.772 0.000 . 1 . . . A 1 MET C . 25627 1 21 . 1 1 5 5 MET CA C 13 55.446 0.048 . 1 . . . A 1 MET CA . 25627 1 22 . 1 1 5 5 MET CB C 13 32.774 0.000 . 1 . . . A 1 MET CB . 25627 1 23 . 1 1 5 5 MET N N 15 121.120 0.023 . 1 . . . A 1 MET N . 25627 1 24 . 1 1 6 6 ALA H H 1 8.373 0.002 . 1 . . . A 2 ALA H . 25627 1 25 . 1 1 6 6 ALA HA H 1 4.367 0.011 . 1 . . . A 2 ALA HA . 25627 1 26 . 1 1 6 6 ALA HB1 H 1 1.391 0.000 . 1 . . . A 2 ALA HB1 . 25627 1 27 . 1 1 6 6 ALA HB2 H 1 1.391 0.000 . 1 . . . A 2 ALA HB2 . 25627 1 28 . 1 1 6 6 ALA HB3 H 1 1.391 0.000 . 1 . . . A 2 ALA HB3 . 25627 1 29 . 1 1 6 6 ALA C C 13 177.821 0.000 . 1 . . . A 2 ALA C . 25627 1 30 . 1 1 6 6 ALA CA C 13 52.568 0.000 . 1 . . . A 2 ALA CA . 25627 1 31 . 1 1 6 6 ALA CB C 13 19.237 0.000 . 1 . . . A 2 ALA CB . 25627 1 32 . 1 1 6 6 ALA N N 15 125.673 0.026 . 1 . . . A 2 ALA N . 25627 1 33 . 1 1 7 7 THR H H 1 8.099 0.002 . 1 . . . A 3 THR H . 25627 1 34 . 1 1 7 7 THR HA H 1 4.354 0.004 . 1 . . . A 3 THR HA . 25627 1 35 . 1 1 7 7 THR HB H 1 4.251 0.005 . 1 . . . A 3 THR HB . 25627 1 36 . 1 1 7 7 THR HG21 H 1 1.189 0.007 . 1 . . . A 3 THR HG21 . 25627 1 37 . 1 1 7 7 THR HG22 H 1 1.189 0.007 . 1 . . . A 3 THR HG22 . 25627 1 38 . 1 1 7 7 THR HG23 H 1 1.189 0.007 . 1 . . . A 3 THR HG23 . 25627 1 39 . 1 1 7 7 THR C C 13 174.577 0.000 . 1 . . . A 3 THR C . 25627 1 40 . 1 1 7 7 THR CA C 13 61.679 0.055 . 1 . . . A 3 THR CA . 25627 1 41 . 1 1 7 7 THR CB C 13 69.864 0.028 . 1 . . . A 3 THR CB . 25627 1 42 . 1 1 7 7 THR CG2 C 13 21.622 0.132 . 1 . . . A 3 THR CG2 . 25627 1 43 . 1 1 7 7 THR N N 15 113.038 0.016 . 1 . . . A 3 THR N . 25627 1 44 . 1 1 8 8 SER H H 1 8.238 0.008 . 1 . . . A 4 SER H . 25627 1 45 . 1 1 8 8 SER HA H 1 4.440 0.006 . 1 . . . A 4 SER HA . 25627 1 46 . 1 1 8 8 SER HB2 H 1 3.831 0.014 . 2 . . . A 4 SER HB2 . 25627 1 47 . 1 1 8 8 SER HB3 H 1 3.846 0.005 . 2 . . . A 4 SER HB3 . 25627 1 48 . 1 1 8 8 SER C C 13 173.887 0.000 . 1 . . . A 4 SER C . 25627 1 49 . 1 1 8 8 SER CA C 13 58.314 0.027 . 1 . . . A 4 SER CA . 25627 1 50 . 1 1 8 8 SER CB C 13 63.951 0.053 . 1 . . . A 4 SER CB . 25627 1 51 . 1 1 8 8 SER N N 15 117.235 0.040 . 1 . . . A 4 SER N . 25627 1 52 . 1 1 9 9 ASP H H 1 8.321 0.002 . 1 . . . A 5 ASP H . 25627 1 53 . 1 1 9 9 ASP HA H 1 4.583 0.003 . 1 . . . A 5 ASP HA . 25627 1 54 . 1 1 9 9 ASP HB2 H 1 2.611 0.015 . 2 . . . A 5 ASP HB2 . 25627 1 55 . 1 1 9 9 ASP HB3 H 1 2.570 0.018 . 2 . . . A 5 ASP HB3 . 25627 1 56 . 1 1 9 9 ASP C C 13 175.690 0.000 . 1 . . . A 5 ASP C . 25627 1 57 . 1 1 9 9 ASP CA C 13 54.146 0.031 . 1 . . . A 5 ASP CA . 25627 1 58 . 1 1 9 9 ASP CB C 13 41.166 0.060 . 1 . . . A 5 ASP CB . 25627 1 59 . 1 1 9 9 ASP N N 15 122.543 0.027 . 1 . . . A 5 ASP N . 25627 1 60 . 1 1 10 10 VAL H H 1 7.942 0.011 . 1 . . . A 6 VAL H . 25627 1 61 . 1 1 10 10 VAL HA H 1 4.098 0.008 . 1 . . . A 6 VAL HA . 25627 1 62 . 1 1 10 10 VAL HB H 1 1.959 0.012 . 1 . . . A 6 VAL HB . 25627 1 63 . 1 1 10 10 VAL HG11 H 1 0.834 0.006 . 1 . . . A 6 VAL HG11 . 25627 1 64 . 1 1 10 10 VAL HG12 H 1 0.834 0.006 . 1 . . . A 6 VAL HG12 . 25627 1 65 . 1 1 10 10 VAL HG13 H 1 0.834 0.006 . 1 . . . A 6 VAL HG13 . 25627 1 66 . 1 1 10 10 VAL HG21 H 1 0.847 0.004 . 1 . . . A 6 VAL HG21 . 25627 1 67 . 1 1 10 10 VAL HG22 H 1 0.847 0.004 . 1 . . . A 6 VAL HG22 . 25627 1 68 . 1 1 10 10 VAL HG23 H 1 0.847 0.004 . 1 . . . A 6 VAL HG23 . 25627 1 69 . 1 1 10 10 VAL C C 13 175.211 0.000 . 1 . . . A 6 VAL C . 25627 1 70 . 1 1 10 10 VAL CA C 13 62.322 0.017 . 1 . . . A 6 VAL CA . 25627 1 71 . 1 1 10 10 VAL CB C 13 32.581 0.050 . 1 . . . A 6 VAL CB . 25627 1 72 . 1 1 10 10 VAL CG1 C 13 21.461 0.084 . 1 . . . A 6 VAL CG1 . 25627 1 73 . 1 1 10 10 VAL CG2 C 13 20.560 0.042 . 1 . . . A 6 VAL CG2 . 25627 1 74 . 1 1 10 10 VAL N N 15 121.235 0.074 . 1 . . . A 6 VAL N . 25627 1 75 . 1 1 11 11 LYS H H 1 8.383 0.009 . 1 . . . A 7 LYS H . 25627 1 76 . 1 1 11 11 LYS HB2 H 1 1.799 0.002 . 2 . . . A 7 LYS HB2 . 25627 1 77 . 1 1 11 11 LYS HB3 H 1 1.696 0.008 . 2 . . . A 7 LYS HB3 . 25627 1 78 . 1 1 11 11 LYS HG3 H 1 1.439 0.009 . 1 . . . A 7 LYS HG3 . 25627 1 79 . 1 1 11 11 LYS HD2 H 1 1.687 0.016 . 1 . . . A 7 LYS HD2 . 25627 1 80 . 1 1 11 11 LYS HE2 H 1 2.998 0.003 . 1 . . . A 7 LYS HE2 . 25627 1 81 . 1 1 11 11 LYS CA C 13 53.311 0.034 . 1 . . . A 7 LYS CA . 25627 1 82 . 1 1 11 11 LYS CB C 13 33.494 0.081 . 1 . . . A 7 LYS CB . 25627 1 83 . 1 1 11 11 LYS CG C 13 24.675 0.070 . 1 . . . A 7 LYS CG . 25627 1 84 . 1 1 11 11 LYS CD C 13 29.333 0.072 . 1 . . . A 7 LYS CD . 25627 1 85 . 1 1 11 11 LYS CE C 13 42.254 0.043 . 1 . . . A 7 LYS CE . 25627 1 86 . 1 1 11 11 LYS N N 15 125.356 0.080 . 1 . . . A 7 LYS N . 25627 1 87 . 1 1 12 12 PRO HA H 1 3.959 0.009 . 1 . . . A 8 PRO HA . 25627 1 88 . 1 1 12 12 PRO HB2 H 1 1.738 0.014 . 2 . . . A 8 PRO HB2 . 25627 1 89 . 1 1 12 12 PRO HB3 H 1 1.663 0.008 . 2 . . . A 8 PRO HB3 . 25627 1 90 . 1 1 12 12 PRO HG2 H 1 1.889 0.006 . 2 . . . A 8 PRO HG2 . 25627 1 91 . 1 1 12 12 PRO HG3 H 1 1.566 0.012 . 2 . . . A 8 PRO HG3 . 25627 1 92 . 1 1 12 12 PRO HD2 H 1 3.615 0.005 . 2 . . . A 8 PRO HD2 . 25627 1 93 . 1 1 12 12 PRO HD3 H 1 3.582 0.002 . 2 . . . A 8 PRO HD3 . 25627 1 94 . 1 1 12 12 PRO C C 13 176.346 0.101 . 1 . . . A 8 PRO C . 25627 1 95 . 1 1 12 12 PRO CA C 13 62.993 0.036 . 1 . . . A 8 PRO CA . 25627 1 96 . 1 1 12 12 PRO CB C 13 32.003 0.057 . 1 . . . A 8 PRO CB . 25627 1 97 . 1 1 12 12 PRO CG C 13 27.470 0.035 . 1 . . . A 8 PRO CG . 25627 1 98 . 1 1 12 12 PRO CD C 13 50.141 0.030 . 1 . . . A 8 PRO CD . 25627 1 99 . 1 1 13 13 LYS H H 1 9.393 0.005 . 1 . . . A 9 LYS H . 25627 1 100 . 1 1 13 13 LYS HA H 1 4.287 0.007 . 1 . . . A 9 LYS HA . 25627 1 101 . 1 1 13 13 LYS HB2 H 1 1.743 0.007 . 2 . . . A 9 LYS HB2 . 25627 1 102 . 1 1 13 13 LYS HB3 H 1 1.668 0.010 . 2 . . . A 9 LYS HB3 . 25627 1 103 . 1 1 13 13 LYS HG2 H 1 1.359 0.004 . 2 . . . A 9 LYS HG2 . 25627 1 104 . 1 1 13 13 LYS HG3 H 1 1.438 0.018 . 2 . . . A 9 LYS HG3 . 25627 1 105 . 1 1 13 13 LYS HD2 H 1 1.625 0.002 . 1 . . . A 9 LYS HD2 . 25627 1 106 . 1 1 13 13 LYS HE3 H 1 3.002 0.003 . 1 . . . A 9 LYS HE3 . 25627 1 107 . 1 1 13 13 LYS C C 13 177.164 0.077 . 1 . . . A 9 LYS C . 25627 1 108 . 1 1 13 13 LYS CA C 13 57.222 0.058 . 1 . . . A 9 LYS CA . 25627 1 109 . 1 1 13 13 LYS CB C 13 33.962 0.048 . 1 . . . A 9 LYS CB . 25627 1 110 . 1 1 13 13 LYS CG C 13 25.190 0.040 . 1 . . . A 9 LYS CG . 25627 1 111 . 1 1 13 13 LYS CD C 13 29.233 0.055 . 1 . . . A 9 LYS CD . 25627 1 112 . 1 1 13 13 LYS CE C 13 42.282 0.000 . 1 . . . A 9 LYS CE . 25627 1 113 . 1 1 13 13 LYS N N 15 122.609 0.064 . 1 . . . A 9 LYS N . 25627 1 114 . 1 1 14 14 SER H H 1 7.846 0.009 . 1 . . . A 10 SER H . 25627 1 115 . 1 1 14 14 SER HA H 1 4.563 0.008 . 1 . . . A 10 SER HA . 25627 1 116 . 1 1 14 14 SER HB2 H 1 3.712 0.011 . 2 . . . A 10 SER HB2 . 25627 1 117 . 1 1 14 14 SER HB3 H 1 3.682 0.013 . 2 . . . A 10 SER HB3 . 25627 1 118 . 1 1 14 14 SER C C 13 171.697 0.070 . 1 . . . A 10 SER C . 25627 1 119 . 1 1 14 14 SER CA C 13 57.614 0.035 . 1 . . . A 10 SER CA . 25627 1 120 . 1 1 14 14 SER CB C 13 64.687 0.024 . 1 . . . A 10 SER CB . 25627 1 121 . 1 1 14 14 SER N N 15 111.655 0.039 . 1 . . . A 10 SER N . 25627 1 122 . 1 1 15 15 ILE H H 1 8.128 0.014 . 1 . . . A 11 ILE H . 25627 1 123 . 1 1 15 15 ILE HA H 1 4.531 0.009 . 1 . . . A 11 ILE HA . 25627 1 124 . 1 1 15 15 ILE HB H 1 1.530 0.010 . 1 . . . A 11 ILE HB . 25627 1 125 . 1 1 15 15 ILE HG12 H 1 1.404 0.009 . 2 . . . A 11 ILE HG12 . 25627 1 126 . 1 1 15 15 ILE HG13 H 1 0.882 0.011 . 2 . . . A 11 ILE HG13 . 25627 1 127 . 1 1 15 15 ILE HG21 H 1 0.549 0.007 . 1 . . . A 11 ILE HG21 . 25627 1 128 . 1 1 15 15 ILE HG22 H 1 0.549 0.007 . 1 . . . A 11 ILE HG22 . 25627 1 129 . 1 1 15 15 ILE HG23 H 1 0.549 0.007 . 1 . . . A 11 ILE HG23 . 25627 1 130 . 1 1 15 15 ILE HD11 H 1 0.868 0.013 . 1 . . . A 11 ILE HD11 . 25627 1 131 . 1 1 15 15 ILE HD12 H 1 0.868 0.013 . 1 . . . A 11 ILE HD12 . 25627 1 132 . 1 1 15 15 ILE HD13 H 1 0.868 0.013 . 1 . . . A 11 ILE HD13 . 25627 1 133 . 1 1 15 15 ILE C C 13 175.460 0.073 . 1 . . . A 11 ILE C . 25627 1 134 . 1 1 15 15 ILE CA C 13 60.794 0.031 . 1 . . . A 11 ILE CA . 25627 1 135 . 1 1 15 15 ILE CB C 13 41.105 0.038 . 1 . . . A 11 ILE CB . 25627 1 136 . 1 1 15 15 ILE CG1 C 13 27.212 0.029 . 1 . . . A 11 ILE CG1 . 25627 1 137 . 1 1 15 15 ILE CG2 C 13 17.246 0.030 . 1 . . . A 11 ILE CG2 . 25627 1 138 . 1 1 15 15 ILE CD1 C 13 14.307 0.018 . 1 . . . A 11 ILE CD1 . 25627 1 139 . 1 1 15 15 ILE N N 15 121.054 0.055 . 1 . . . A 11 ILE N . 25627 1 140 . 1 1 16 16 SER H H 1 8.782 0.008 . 1 . . . A 12 SER H . 25627 1 141 . 1 1 16 16 SER HA H 1 4.757 0.012 . 1 . . . A 12 SER HA . 25627 1 142 . 1 1 16 16 SER HB3 H 1 3.716 0.005 . 1 . . . A 12 SER HB3 . 25627 1 143 . 1 1 16 16 SER C C 13 172.771 0.067 . 1 . . . A 12 SER C . 25627 1 144 . 1 1 16 16 SER CA C 13 56.498 0.000 . 1 . . . A 12 SER CA . 25627 1 145 . 1 1 16 16 SER CB C 13 65.418 0.015 . 1 . . . A 12 SER CB . 25627 1 146 . 1 1 16 16 SER N N 15 122.340 0.089 . 1 . . . A 12 SER N . 25627 1 147 . 1 1 17 17 ARG H H 1 8.374 0.022 . 1 . . . A 13 ARG H . 25627 1 148 . 1 1 17 17 ARG HA H 1 4.876 0.004 . 1 . . . A 13 ARG HA . 25627 1 149 . 1 1 17 17 ARG HB2 H 1 1.978 0.009 . 2 . . . A 13 ARG HB2 . 25627 1 150 . 1 1 17 17 ARG HB3 H 1 1.698 0.006 . 2 . . . A 13 ARG HB3 . 25627 1 151 . 1 1 17 17 ARG HG2 H 1 1.599 0.002 . 2 . . . A 13 ARG HG2 . 25627 1 152 . 1 1 17 17 ARG HG3 H 1 1.670 0.006 . 2 . . . A 13 ARG HG3 . 25627 1 153 . 1 1 17 17 ARG HD2 H 1 3.184 0.006 . 1 . . . A 13 ARG HD2 . 25627 1 154 . 1 1 17 17 ARG C C 13 176.720 0.070 . 1 . . . A 13 ARG C . 25627 1 155 . 1 1 17 17 ARG CA C 13 54.308 0.065 . 1 . . . A 13 ARG CA . 25627 1 156 . 1 1 17 17 ARG CB C 13 31.754 0.053 . 1 . . . A 13 ARG CB . 25627 1 157 . 1 1 17 17 ARG CG C 13 27.164 0.043 . 1 . . . A 13 ARG CG . 25627 1 158 . 1 1 17 17 ARG CD C 13 43.295 0.073 . 1 . . . A 13 ARG CD . 25627 1 159 . 1 1 17 17 ARG N N 15 119.603 0.044 . 1 . . . A 13 ARG N . 25627 1 160 . 1 1 18 18 ALA H H 1 8.725 0.010 . 1 . . . A 14 ALA H . 25627 1 161 . 1 1 18 18 ALA HA H 1 4.110 0.005 . 1 . . . A 14 ALA HA . 25627 1 162 . 1 1 18 18 ALA HB1 H 1 1.345 0.005 . 1 . . . A 14 ALA HB1 . 25627 1 163 . 1 1 18 18 ALA HB2 H 1 1.345 0.005 . 1 . . . A 14 ALA HB2 . 25627 1 164 . 1 1 18 18 ALA HB3 H 1 1.345 0.005 . 1 . . . A 14 ALA HB3 . 25627 1 165 . 1 1 18 18 ALA C C 13 176.523 0.000 . 1 . . . A 14 ALA C . 25627 1 166 . 1 1 18 18 ALA CA C 13 52.542 0.035 . 1 . . . A 14 ALA CA . 25627 1 167 . 1 1 18 18 ALA CB C 13 20.087 0.024 . 1 . . . A 14 ALA CB . 25627 1 168 . 1 1 18 18 ALA N N 15 127.004 0.054 . 1 . . . A 14 ALA N . 25627 1 169 . 1 1 19 19 LYS H H 1 8.518 0.003 . 1 . . . A 15 LYS H . 25627 1 170 . 1 1 19 19 LYS HA H 1 4.372 0.008 . 1 . . . A 15 LYS HA . 25627 1 171 . 1 1 19 19 LYS HB2 H 1 1.888 0.010 . 2 . . . A 15 LYS HB2 . 25627 1 172 . 1 1 19 19 LYS HB3 H 1 1.705 0.007 . 2 . . . A 15 LYS HB3 . 25627 1 173 . 1 1 19 19 LYS HG2 H 1 1.491 0.004 . 2 . . . A 15 LYS HG2 . 25627 1 174 . 1 1 19 19 LYS HG3 H 1 1.415 0.009 . 2 . . . A 15 LYS HG3 . 25627 1 175 . 1 1 19 19 LYS HD2 H 1 1.680 0.001 . 1 . . . A 15 LYS HD2 . 25627 1 176 . 1 1 19 19 LYS HE3 H 1 3.017 0.005 . 1 . . . A 15 LYS HE3 . 25627 1 177 . 1 1 19 19 LYS C C 13 176.383 0.076 . 1 . . . A 15 LYS C . 25627 1 178 . 1 1 19 19 LYS CA C 13 56.626 0.029 . 1 . . . A 15 LYS CA . 25627 1 179 . 1 1 19 19 LYS CB C 13 34.610 0.038 . 1 . . . A 15 LYS CB . 25627 1 180 . 1 1 19 19 LYS CG C 13 25.107 0.044 . 1 . . . A 15 LYS CG . 25627 1 181 . 1 1 19 19 LYS CD C 13 29.189 0.063 . 1 . . . A 15 LYS CD . 25627 1 182 . 1 1 19 19 LYS CE C 13 42.359 0.000 . 1 . . . A 15 LYS CE . 25627 1 183 . 1 1 19 19 LYS N N 15 117.157 0.036 . 1 . . . A 15 LYS N . 25627 1 184 . 1 1 20 20 LYS H H 1 7.429 0.007 . 1 . . . A 16 LYS H . 25627 1 185 . 1 1 20 20 LYS HA H 1 4.575 0.006 . 1 . . . A 16 LYS HA . 25627 1 186 . 1 1 20 20 LYS HB2 H 1 1.811 0.010 . 2 . . . A 16 LYS HB2 . 25627 1 187 . 1 1 20 20 LYS HB3 H 1 1.890 0.010 . 2 . . . A 16 LYS HB3 . 25627 1 188 . 1 1 20 20 LYS HG2 H 1 1.479 0.012 . 2 . . . A 16 LYS HG2 . 25627 1 189 . 1 1 20 20 LYS HG3 H 1 1.395 0.007 . 2 . . . A 16 LYS HG3 . 25627 1 190 . 1 1 20 20 LYS HD3 H 1 1.736 0.004 . 1 . . . A 16 LYS HD3 . 25627 1 191 . 1 1 20 20 LYS HE3 H 1 3.073 0.004 . 1 . . . A 16 LYS HE3 . 25627 1 192 . 1 1 20 20 LYS C C 13 174.584 0.071 . 1 . . . A 16 LYS C . 25627 1 193 . 1 1 20 20 LYS CA C 13 54.694 0.044 . 1 . . . A 16 LYS CA . 25627 1 194 . 1 1 20 20 LYS CB C 13 35.604 0.055 . 1 . . . A 16 LYS CB . 25627 1 195 . 1 1 20 20 LYS CG C 13 23.845 0.062 . 1 . . . A 16 LYS CG . 25627 1 196 . 1 1 20 20 LYS CD C 13 29.490 0.075 . 1 . . . A 16 LYS CD . 25627 1 197 . 1 1 20 20 LYS CE C 13 42.284 0.041 . 1 . . . A 16 LYS CE . 25627 1 198 . 1 1 20 20 LYS N N 15 116.265 0.064 . 1 . . . A 16 LYS N . 25627 1 199 . 1 1 21 21 TRP H H 1 9.412 0.009 . 1 . . . A 17 TRP H . 25627 1 200 . 1 1 21 21 TRP HA H 1 3.785 0.006 . 1 . . . A 17 TRP HA . 25627 1 201 . 1 1 21 21 TRP HB2 H 1 3.171 0.021 . 2 . . . A 17 TRP HB2 . 25627 1 202 . 1 1 21 21 TRP HB3 H 1 3.046 0.011 . 2 . . . A 17 TRP HB3 . 25627 1 203 . 1 1 21 21 TRP HD1 H 1 6.874 0.011 . 1 . . . A 17 TRP HD1 . 25627 1 204 . 1 1 21 21 TRP HE1 H 1 11.539 0.007 . 1 . . . A 17 TRP HE1 . 25627 1 205 . 1 1 21 21 TRP HZ2 H 1 7.095 0.013 . 1 . . . A 17 TRP HZ2 . 25627 1 206 . 1 1 21 21 TRP C C 13 174.781 0.067 . 1 . . . A 17 TRP C . 25627 1 207 . 1 1 21 21 TRP CA C 13 61.877 0.045 . 1 . . . A 17 TRP CA . 25627 1 208 . 1 1 21 21 TRP CB C 13 28.921 0.059 . 1 . . . A 17 TRP CB . 25627 1 209 . 1 1 21 21 TRP CD1 C 13 125.158 0.062 . 1 . . . A 17 TRP CD1 . 25627 1 210 . 1 1 21 21 TRP N N 15 123.638 0.040 . 1 . . . A 17 TRP N . 25627 1 211 . 1 1 21 21 TRP NE1 N 15 132.406 0.059 . 1 . . . A 17 TRP NE1 . 25627 1 212 . 1 1 22 22 SER H H 1 6.081 0.012 . 1 . . . A 18 SER H . 25627 1 213 . 1 1 22 22 SER HA H 1 3.831 0.020 . 1 . . . A 18 SER HA . 25627 1 214 . 1 1 22 22 SER HB2 H 1 3.876 0.015 . 2 . . . A 18 SER HB2 . 25627 1 215 . 1 1 22 22 SER HB3 H 1 4.002 0.020 . 2 . . . A 18 SER HB3 . 25627 1 216 . 1 1 22 22 SER C C 13 172.100 0.070 . 1 . . . A 18 SER C . 25627 1 217 . 1 1 22 22 SER CA C 13 56.830 0.038 . 1 . . . A 18 SER CA . 25627 1 218 . 1 1 22 22 SER CB C 13 66.241 0.029 . 1 . . . A 18 SER CB . 25627 1 219 . 1 1 22 22 SER N N 15 119.926 0.057 . 1 . . . A 18 SER N . 25627 1 220 . 1 1 23 23 GLU H H 1 9.355 0.011 . 1 . . . A 19 GLU H . 25627 1 221 . 1 1 23 23 GLU HA H 1 3.647 0.004 . 1 . . . A 19 GLU HA . 25627 1 222 . 1 1 23 23 GLU HB3 H 1 2.176 0.007 . 1 . . . A 19 GLU HB3 . 25627 1 223 . 1 1 23 23 GLU HG2 H 1 2.663 0.010 . 2 . . . A 19 GLU HG2 . 25627 1 224 . 1 1 23 23 GLU HG3 H 1 2.679 0.006 . 2 . . . A 19 GLU HG3 . 25627 1 225 . 1 1 23 23 GLU C C 13 177.682 0.069 . 1 . . . A 19 GLU C . 25627 1 226 . 1 1 23 23 GLU CA C 13 60.579 0.024 . 1 . . . A 19 GLU CA . 25627 1 227 . 1 1 23 23 GLU CB C 13 28.623 0.064 . 1 . . . A 19 GLU CB . 25627 1 228 . 1 1 23 23 GLU CG C 13 36.749 0.076 . 1 . . . A 19 GLU CG . 25627 1 229 . 1 1 23 23 GLU N N 15 120.673 0.074 . 1 . . . A 19 GLU N . 25627 1 230 . 1 1 24 24 GLU H H 1 7.946 0.008 . 1 . . . A 20 GLU H . 25627 1 231 . 1 1 24 24 GLU HA H 1 4.224 0.004 . 1 . . . A 20 GLU HA . 25627 1 232 . 1 1 24 24 GLU HB2 H 1 1.879 0.002 . 2 . . . A 20 GLU HB2 . 25627 1 233 . 1 1 24 24 GLU HB3 H 1 1.988 0.010 . 2 . . . A 20 GLU HB3 . 25627 1 234 . 1 1 24 24 GLU HG2 H 1 2.329 0.012 . 2 . . . A 20 GLU HG2 . 25627 1 235 . 1 1 24 24 GLU HG3 H 1 2.288 0.012 . 2 . . . A 20 GLU HG3 . 25627 1 236 . 1 1 24 24 GLU C C 13 179.454 0.061 . 1 . . . A 20 GLU C . 25627 1 237 . 1 1 24 24 GLU CA C 13 59.251 0.032 . 1 . . . A 20 GLU CA . 25627 1 238 . 1 1 24 24 GLU CB C 13 29.715 0.060 . 1 . . . A 20 GLU CB . 25627 1 239 . 1 1 24 24 GLU CG C 13 36.403 0.066 . 1 . . . A 20 GLU CG . 25627 1 240 . 1 1 24 24 GLU N N 15 117.979 0.034 . 1 . . . A 20 GLU N . 25627 1 241 . 1 1 25 25 ILE H H 1 7.122 0.010 . 1 . . . A 21 ILE H . 25627 1 242 . 1 1 25 25 ILE HA H 1 3.777 0.013 . 1 . . . A 21 ILE HA . 25627 1 243 . 1 1 25 25 ILE HB H 1 1.798 0.005 . 1 . . . A 21 ILE HB . 25627 1 244 . 1 1 25 25 ILE HG12 H 1 1.707 0.012 . 2 . . . A 21 ILE HG12 . 25627 1 245 . 1 1 25 25 ILE HG13 H 1 1.436 0.007 . 2 . . . A 21 ILE HG13 . 25627 1 246 . 1 1 25 25 ILE HG21 H 1 1.000 0.009 . 1 . . . A 21 ILE HG21 . 25627 1 247 . 1 1 25 25 ILE HG22 H 1 1.000 0.009 . 1 . . . A 21 ILE HG22 . 25627 1 248 . 1 1 25 25 ILE HG23 H 1 1.000 0.009 . 1 . . . A 21 ILE HG23 . 25627 1 249 . 1 1 25 25 ILE HD11 H 1 0.707 0.007 . 1 . . . A 21 ILE HD11 . 25627 1 250 . 1 1 25 25 ILE HD12 H 1 0.707 0.007 . 1 . . . A 21 ILE HD12 . 25627 1 251 . 1 1 25 25 ILE HD13 H 1 0.707 0.007 . 1 . . . A 21 ILE HD13 . 25627 1 252 . 1 1 25 25 ILE C C 13 176.700 0.060 . 1 . . . A 21 ILE C . 25627 1 253 . 1 1 25 25 ILE CA C 13 61.978 0.078 . 1 . . . A 21 ILE CA . 25627 1 254 . 1 1 25 25 ILE CB C 13 36.094 0.088 . 1 . . . A 21 ILE CB . 25627 1 255 . 1 1 25 25 ILE CG1 C 13 28.872 0.041 . 1 . . . A 21 ILE CG1 . 25627 1 256 . 1 1 25 25 ILE CG2 C 13 18.845 0.028 . 1 . . . A 21 ILE CG2 . 25627 1 257 . 1 1 25 25 ILE CD1 C 13 10.707 0.018 . 1 . . . A 21 ILE CD1 . 25627 1 258 . 1 1 25 25 ILE N N 15 121.560 0.056 . 1 . . . A 21 ILE N . 25627 1 259 . 1 1 26 26 GLU H H 1 8.017 0.012 . 1 . . . A 22 GLU H . 25627 1 260 . 1 1 26 26 GLU HA H 1 3.999 0.011 . 1 . . . A 22 GLU HA . 25627 1 261 . 1 1 26 26 GLU HB2 H 1 2.290 0.004 . 2 . . . A 22 GLU HB2 . 25627 1 262 . 1 1 26 26 GLU HB3 H 1 1.929 0.006 . 2 . . . A 22 GLU HB3 . 25627 1 263 . 1 1 26 26 GLU HG2 H 1 1.433 0.010 . 2 . . . A 22 GLU HG2 . 25627 1 264 . 1 1 26 26 GLU HG3 H 1 1.075 0.016 . 2 . . . A 22 GLU HG3 . 25627 1 265 . 1 1 26 26 GLU C C 13 178.416 0.053 . 1 . . . A 22 GLU C . 25627 1 266 . 1 1 26 26 GLU CA C 13 59.018 0.049 . 1 . . . A 22 GLU CA . 25627 1 267 . 1 1 26 26 GLU CB C 13 28.152 0.043 . 1 . . . A 22 GLU CB . 25627 1 268 . 1 1 26 26 GLU CG C 13 33.341 0.060 . 1 . . . A 22 GLU CG . 25627 1 269 . 1 1 26 26 GLU N N 15 121.372 0.067 . 1 . . . A 22 GLU N . 25627 1 270 . 1 1 27 27 ASN H H 1 7.352 0.006 . 1 . . . A 23 ASN H . 25627 1 271 . 1 1 27 27 ASN HA H 1 4.737 0.013 . 1 . . . A 23 ASN HA . 25627 1 272 . 1 1 27 27 ASN HB2 H 1 2.997 0.012 . 2 . . . A 23 ASN HB2 . 25627 1 273 . 1 1 27 27 ASN HB3 H 1 2.884 0.013 . 2 . . . A 23 ASN HB3 . 25627 1 274 . 1 1 27 27 ASN HD21 H 1 7.060 0.011 . 1 . . . A 23 ASN HD21 . 25627 1 275 . 1 1 27 27 ASN HD22 H 1 7.772 0.005 . 1 . . . A 23 ASN HD22 . 25627 1 276 . 1 1 27 27 ASN C C 13 177.565 0.066 . 1 . . . A 23 ASN C . 25627 1 277 . 1 1 27 27 ASN CA C 13 56.364 0.030 . 1 . . . A 23 ASN CA . 25627 1 278 . 1 1 27 27 ASN CB C 13 38.806 0.073 . 1 . . . A 23 ASN CB . 25627 1 279 . 1 1 27 27 ASN N N 15 114.717 0.050 . 1 . . . A 23 ASN N . 25627 1 280 . 1 1 27 27 ASN ND2 N 15 112.192 0.011 . 1 . . . A 23 ASN ND2 . 25627 1 281 . 1 1 28 28 LEU H H 1 8.232 0.011 . 1 . . . A 24 LEU H . 25627 1 282 . 1 1 28 28 LEU HA H 1 4.403 0.006 . 1 . . . A 24 LEU HA . 25627 1 283 . 1 1 28 28 LEU HB2 H 1 1.777 0.007 . 2 . . . A 24 LEU HB2 . 25627 1 284 . 1 1 28 28 LEU HB3 H 1 2.071 0.009 . 2 . . . A 24 LEU HB3 . 25627 1 285 . 1 1 28 28 LEU HG H 1 2.048 0.010 . 1 . . . A 24 LEU HG . 25627 1 286 . 1 1 28 28 LEU HD11 H 1 1.411 0.009 . 2 . . . A 24 LEU HD11 . 25627 1 287 . 1 1 28 28 LEU HD12 H 1 1.411 0.009 . 2 . . . A 24 LEU HD12 . 25627 1 288 . 1 1 28 28 LEU HD13 H 1 1.411 0.009 . 2 . . . A 24 LEU HD13 . 25627 1 289 . 1 1 28 28 LEU HD21 H 1 1.186 0.011 . 2 . . . A 24 LEU HD21 . 25627 1 290 . 1 1 28 28 LEU HD22 H 1 1.186 0.011 . 2 . . . A 24 LEU HD22 . 25627 1 291 . 1 1 28 28 LEU HD23 H 1 1.186 0.011 . 2 . . . A 24 LEU HD23 . 25627 1 292 . 1 1 28 28 LEU C C 13 178.487 0.057 . 1 . . . A 24 LEU C . 25627 1 293 . 1 1 28 28 LEU CA C 13 59.497 0.025 . 1 . . . A 24 LEU CA . 25627 1 294 . 1 1 28 28 LEU CB C 13 42.235 0.045 . 1 . . . A 24 LEU CB . 25627 1 295 . 1 1 28 28 LEU CG C 13 27.227 0.012 . 1 . . . A 24 LEU CG . 25627 1 296 . 1 1 28 28 LEU CD1 C 13 23.070 0.029 . 2 . . . A 24 LEU CD1 . 25627 1 297 . 1 1 28 28 LEU CD2 C 13 26.385 0.079 . 2 . . . A 24 LEU CD2 . 25627 1 298 . 1 1 28 28 LEU N N 15 122.083 0.049 . 1 . . . A 24 LEU N . 25627 1 299 . 1 1 29 29 TYR H H 1 9.056 0.008 . 1 . . . A 25 TYR H . 25627 1 300 . 1 1 29 29 TYR HA H 1 4.075 0.007 . 1 . . . A 25 TYR HA . 25627 1 301 . 1 1 29 29 TYR HB2 H 1 3.197 0.008 . 2 . . . A 25 TYR HB2 . 25627 1 302 . 1 1 29 29 TYR HB3 H 1 3.490 0.012 . 2 . . . A 25 TYR HB3 . 25627 1 303 . 1 1 29 29 TYR HD1 H 1 7.023 0.004 . 1 . . . A 25 TYR HD1 . 25627 1 304 . 1 1 29 29 TYR HD2 H 1 7.023 0.004 . 1 . . . A 25 TYR HD2 . 25627 1 305 . 1 1 29 29 TYR HE1 H 1 6.797 0.008 . 1 . . . A 25 TYR HE1 . 25627 1 306 . 1 1 29 29 TYR HE2 H 1 6.797 0.008 . 1 . . . A 25 TYR HE2 . 25627 1 307 . 1 1 29 29 TYR C C 13 177.164 0.000 . 1 . . . A 25 TYR C . 25627 1 308 . 1 1 29 29 TYR CA C 13 61.541 0.039 . 1 . . . A 25 TYR CA . 25627 1 309 . 1 1 29 29 TYR CB C 13 37.534 0.052 . 1 . . . A 25 TYR CB . 25627 1 310 . 1 1 29 29 TYR CD1 C 13 133.416 0.033 . 1 . . . A 25 TYR CD1 . 25627 1 311 . 1 1 29 29 TYR CD2 C 13 133.416 0.033 . 1 . . . A 25 TYR CD2 . 25627 1 312 . 1 1 29 29 TYR CE1 C 13 118.146 0.000 . 1 . . . A 25 TYR CE1 . 25627 1 313 . 1 1 29 29 TYR CE2 C 13 118.146 0.000 . 1 . . . A 25 TYR CE2 . 25627 1 314 . 1 1 29 29 TYR N N 15 118.898 0.036 . 1 . . . A 25 TYR N . 25627 1 315 . 1 1 30 30 ARG H H 1 7.672 0.004 . 1 . . . A 26 ARG H . 25627 1 316 . 1 1 30 30 ARG HA H 1 3.358 0.006 . 1 . . . A 26 ARG HA . 25627 1 317 . 1 1 30 30 ARG HB2 H 1 1.484 0.008 . 2 . . . A 26 ARG HB2 . 25627 1 318 . 1 1 30 30 ARG HB3 H 1 0.239 0.008 . 2 . . . A 26 ARG HB3 . 25627 1 319 . 1 1 30 30 ARG HG2 H 1 2.182 0.007 . 2 . . . A 26 ARG HG2 . 25627 1 320 . 1 1 30 30 ARG HG3 H 1 0.797 0.006 . 2 . . . A 26 ARG HG3 . 25627 1 321 . 1 1 30 30 ARG HD2 H 1 2.780 0.006 . 2 . . . A 26 ARG HD2 . 25627 1 322 . 1 1 30 30 ARG HD3 H 1 2.889 0.006 . 2 . . . A 26 ARG HD3 . 25627 1 323 . 1 1 30 30 ARG HE H 1 7.869 0.004 . 1 . . . A 26 ARG HE . 25627 1 324 . 1 1 30 30 ARG C C 13 179.709 0.000 . 1 . . . A 26 ARG C . 25627 1 325 . 1 1 30 30 ARG CA C 13 60.269 0.032 . 1 . . . A 26 ARG CA . 25627 1 326 . 1 1 30 30 ARG CB C 13 28.594 0.030 . 1 . . . A 26 ARG CB . 25627 1 327 . 1 1 30 30 ARG CG C 13 30.392 0.061 . 1 . . . A 26 ARG CG . 25627 1 328 . 1 1 30 30 ARG CD C 13 43.760 0.028 . 1 . . . A 26 ARG CD . 25627 1 329 . 1 1 30 30 ARG N N 15 119.000 0.055 . 1 . . . A 26 ARG N . 25627 1 330 . 1 1 30 30 ARG NE N 15 84.768 0.041 . 1 . . . A 26 ARG NE . 25627 1 331 . 1 1 31 31 PHE H H 1 8.497 0.005 . 1 . . . A 27 PHE H . 25627 1 332 . 1 1 31 31 PHE HA H 1 3.870 0.007 . 1 . . . A 27 PHE HA . 25627 1 333 . 1 1 31 31 PHE HB2 H 1 2.985 0.005 . 1 . . . A 27 PHE HB2 . 25627 1 334 . 1 1 31 31 PHE C C 13 178.542 0.067 . 1 . . . A 27 PHE C . 25627 1 335 . 1 1 31 31 PHE CA C 13 64.432 0.040 . 1 . . . A 27 PHE CA . 25627 1 336 . 1 1 31 31 PHE CB C 13 37.960 0.069 . 1 . . . A 27 PHE CB . 25627 1 337 . 1 1 31 31 PHE N N 15 119.640 0.052 . 1 . . . A 27 PHE N . 25627 1 338 . 1 1 32 32 GLN H H 1 8.995 0.011 . 1 . . . A 28 GLN H . 25627 1 339 . 1 1 32 32 GLN HA H 1 4.725 0.008 . 1 . . . A 28 GLN HA . 25627 1 340 . 1 1 32 32 GLN HB2 H 1 2.091 0.009 . 2 . . . A 28 GLN HB2 . 25627 1 341 . 1 1 32 32 GLN HB3 H 1 2.075 0.014 . 2 . . . A 28 GLN HB3 . 25627 1 342 . 1 1 32 32 GLN HG2 H 1 3.001 0.010 . 2 . . . A 28 GLN HG2 . 25627 1 343 . 1 1 32 32 GLN HG3 H 1 3.120 0.013 . 2 . . . A 28 GLN HG3 . 25627 1 344 . 1 1 32 32 GLN HE21 H 1 8.624 0.003 . 1 . . . A 28 GLN HE21 . 25627 1 345 . 1 1 32 32 GLN HE22 H 1 9.071 0.004 . 1 . . . A 28 GLN HE22 . 25627 1 346 . 1 1 32 32 GLN C C 13 182.258 0.064 . 1 . . . A 28 GLN C . 25627 1 347 . 1 1 32 32 GLN CA C 13 58.963 0.000 . 1 . . . A 28 GLN CA . 25627 1 348 . 1 1 32 32 GLN CB C 13 26.761 0.058 . 1 . . . A 28 GLN CB . 25627 1 349 . 1 1 32 32 GLN CG C 13 36.086 0.042 . 1 . . . A 28 GLN CG . 25627 1 350 . 1 1 32 32 GLN N N 15 120.400 0.036 . 1 . . . A 28 GLN N . 25627 1 351 . 1 1 32 32 GLN NE2 N 15 114.963 0.043 . 1 . . . A 28 GLN NE2 . 25627 1 352 . 1 1 33 33 GLN H H 1 8.728 0.011 . 1 . . . A 29 GLN H . 25627 1 353 . 1 1 33 33 GLN HA H 1 3.956 0.007 . 1 . . . A 29 GLN HA . 25627 1 354 . 1 1 33 33 GLN HB2 H 1 2.026 0.007 . 2 . . . A 29 GLN HB2 . 25627 1 355 . 1 1 33 33 GLN HB3 H 1 2.037 0.006 . 2 . . . A 29 GLN HB3 . 25627 1 356 . 1 1 33 33 GLN HG2 H 1 1.789 0.012 . 2 . . . A 29 GLN HG2 . 25627 1 357 . 1 1 33 33 GLN HG3 H 1 1.783 0.009 . 2 . . . A 29 GLN HG3 . 25627 1 358 . 1 1 33 33 GLN HE21 H 1 6.820 0.009 . 1 . . . A 29 GLN HE21 . 25627 1 359 . 1 1 33 33 GLN HE22 H 1 7.030 0.006 . 1 . . . A 29 GLN HE22 . 25627 1 360 . 1 1 33 33 GLN C C 13 177.046 0.068 . 1 . . . A 29 GLN C . 25627 1 361 . 1 1 33 33 GLN CA C 13 58.229 0.048 . 1 . . . A 29 GLN CA . 25627 1 362 . 1 1 33 33 GLN CB C 13 29.211 0.060 . 1 . . . A 29 GLN CB . 25627 1 363 . 1 1 33 33 GLN CG C 13 34.035 0.031 . 1 . . . A 29 GLN CG . 25627 1 364 . 1 1 33 33 GLN N N 15 122.649 0.060 . 1 . . . A 29 GLN N . 25627 1 365 . 1 1 33 33 GLN NE2 N 15 113.523 0.031 . 1 . . . A 29 GLN NE2 . 25627 1 366 . 1 1 34 34 ALA H H 1 7.120 0.008 . 1 . . . A 30 ALA H . 25627 1 367 . 1 1 34 34 ALA HA H 1 4.129 0.007 . 1 . . . A 30 ALA HA . 25627 1 368 . 1 1 34 34 ALA HB1 H 1 1.637 0.008 . 1 . . . A 30 ALA HB1 . 25627 1 369 . 1 1 34 34 ALA HB2 H 1 1.637 0.008 . 1 . . . A 30 ALA HB2 . 25627 1 370 . 1 1 34 34 ALA HB3 H 1 1.637 0.008 . 1 . . . A 30 ALA HB3 . 25627 1 371 . 1 1 34 34 ALA C C 13 175.371 0.082 . 1 . . . A 30 ALA C . 25627 1 372 . 1 1 34 34 ALA CA C 13 52.212 0.084 . 1 . . . A 30 ALA CA . 25627 1 373 . 1 1 34 34 ALA CB C 13 19.196 0.044 . 1 . . . A 30 ALA CB . 25627 1 374 . 1 1 34 34 ALA N N 15 117.672 0.065 . 1 . . . A 30 ALA N . 25627 1 375 . 1 1 35 35 GLY H H 1 7.474 0.012 . 1 . . . A 31 GLY H . 25627 1 376 . 1 1 35 35 GLY HA2 H 1 3.632 0.003 . 2 . . . A 31 GLY HA2 . 25627 1 377 . 1 1 35 35 GLY HA3 H 1 3.938 0.008 . 2 . . . A 31 GLY HA3 . 25627 1 378 . 1 1 35 35 GLY C C 13 173.625 0.000 . 1 . . . A 31 GLY C . 25627 1 379 . 1 1 35 35 GLY CA C 13 45.308 0.038 . 1 . . . A 31 GLY CA . 25627 1 380 . 1 1 35 35 GLY N N 15 103.200 0.056 . 1 . . . A 31 GLY N . 25627 1 381 . 1 1 36 36 TYR H H 1 8.403 0.012 . 1 . . . A 32 TYR H . 25627 1 382 . 1 1 36 36 TYR HA H 1 4.937 0.006 . 1 . . . A 32 TYR HA . 25627 1 383 . 1 1 36 36 TYR HB2 H 1 3.160 0.009 . 2 . . . A 32 TYR HB2 . 25627 1 384 . 1 1 36 36 TYR HB3 H 1 2.766 0.011 . 2 . . . A 32 TYR HB3 . 25627 1 385 . 1 1 36 36 TYR HD1 H 1 6.983 0.009 . 1 . . . A 32 TYR HD1 . 25627 1 386 . 1 1 36 36 TYR HD2 H 1 6.983 0.009 . 1 . . . A 32 TYR HD2 . 25627 1 387 . 1 1 36 36 TYR C C 13 174.419 0.059 . 1 . . . A 32 TYR C . 25627 1 388 . 1 1 36 36 TYR CA C 13 56.212 0.048 . 1 . . . A 32 TYR CA . 25627 1 389 . 1 1 36 36 TYR CB C 13 42.414 0.052 . 1 . . . A 32 TYR CB . 25627 1 390 . 1 1 36 36 TYR CD1 C 13 133.407 0.000 . 1 . . . A 32 TYR CD1 . 25627 1 391 . 1 1 36 36 TYR CD2 C 13 133.407 0.000 . 1 . . . A 32 TYR CD2 . 25627 1 392 . 1 1 36 36 TYR N N 15 121.303 0.040 . 1 . . . A 32 TYR N . 25627 1 393 . 1 1 37 37 ARG H H 1 9.571 0.005 . 1 . . . A 33 ARG H . 25627 1 394 . 1 1 37 37 ARG HA H 1 3.951 0.008 . 1 . . . A 33 ARG HA . 25627 1 395 . 1 1 37 37 ARG HB2 H 1 1.083 0.009 . 2 . . . A 33 ARG HB2 . 25627 1 396 . 1 1 37 37 ARG HB3 H 1 1.450 0.010 . 2 . . . A 33 ARG HB3 . 25627 1 397 . 1 1 37 37 ARG HG2 H 1 1.666 0.006 . 2 . . . A 33 ARG HG2 . 25627 1 398 . 1 1 37 37 ARG HG3 H 1 1.006 0.019 . 2 . . . A 33 ARG HG3 . 25627 1 399 . 1 1 37 37 ARG HD3 H 1 2.821 0.006 . 1 . . . A 33 ARG HD3 . 25627 1 400 . 1 1 37 37 ARG C C 13 175.618 0.068 . 1 . . . A 33 ARG C . 25627 1 401 . 1 1 37 37 ARG CA C 13 60.574 0.019 . 1 . . . A 33 ARG CA . 25627 1 402 . 1 1 37 37 ARG CB C 13 31.985 0.040 . 1 . . . A 33 ARG CB . 25627 1 403 . 1 1 37 37 ARG CG C 13 27.646 0.049 . 1 . . . A 33 ARG CG . 25627 1 404 . 1 1 37 37 ARG CD C 13 43.427 0.065 . 1 . . . A 33 ARG CD . 25627 1 405 . 1 1 37 37 ARG N N 15 118.245 0.053 . 1 . . . A 33 ARG N . 25627 1 406 . 1 1 38 38 ASP H H 1 6.995 0.009 . 1 . . . A 34 ASP H . 25627 1 407 . 1 1 38 38 ASP HA H 1 3.823 0.011 . 1 . . . A 34 ASP HA . 25627 1 408 . 1 1 38 38 ASP HB2 H 1 3.541 0.007 . 2 . . . A 34 ASP HB2 . 25627 1 409 . 1 1 38 38 ASP HB3 H 1 2.788 0.006 . 2 . . . A 34 ASP HB3 . 25627 1 410 . 1 1 38 38 ASP C C 13 174.754 0.071 . 1 . . . A 34 ASP C . 25627 1 411 . 1 1 38 38 ASP CA C 13 52.265 0.045 . 1 . . . A 34 ASP CA . 25627 1 412 . 1 1 38 38 ASP CB C 13 39.819 0.061 . 1 . . . A 34 ASP CB . 25627 1 413 . 1 1 38 38 ASP N N 15 105.630 0.047 . 1 . . . A 34 ASP N . 25627 1 414 . 1 1 39 39 GLU H H 1 7.818 0.009 . 1 . . . A 35 GLU H . 25627 1 415 . 1 1 39 39 GLU HA H 1 2.903 0.004 . 1 . . . A 35 GLU HA . 25627 1 416 . 1 1 39 39 GLU HB2 H 1 1.671 0.012 . 2 . . . A 35 GLU HB2 . 25627 1 417 . 1 1 39 39 GLU HB3 H 1 1.715 0.006 . 2 . . . A 35 GLU HB3 . 25627 1 418 . 1 1 39 39 GLU HG2 H 1 2.037 0.005 . 2 . . . A 35 GLU HG2 . 25627 1 419 . 1 1 39 39 GLU HG3 H 1 2.155 0.004 . 2 . . . A 35 GLU HG3 . 25627 1 420 . 1 1 39 39 GLU C C 13 177.043 0.088 . 1 . . . A 35 GLU C . 25627 1 421 . 1 1 39 39 GLU CA C 13 58.601 0.052 . 1 . . . A 35 GLU CA . 25627 1 422 . 1 1 39 39 GLU CB C 13 30.113 0.045 . 1 . . . A 35 GLU CB . 25627 1 423 . 1 1 39 39 GLU CG C 13 36.824 0.044 . 1 . . . A 35 GLU CG . 25627 1 424 . 1 1 39 39 GLU N N 15 118.215 0.042 . 1 . . . A 35 GLU N . 25627 1 425 . 1 1 40 40 ILE H H 1 6.833 0.009 . 1 . . . A 36 ILE H . 25627 1 426 . 1 1 40 40 ILE HA H 1 3.421 0.008 . 1 . . . A 36 ILE HA . 25627 1 427 . 1 1 40 40 ILE HB H 1 1.971 0.005 . 1 . . . A 36 ILE HB . 25627 1 428 . 1 1 40 40 ILE HG12 H 1 1.239 0.007 . 2 . . . A 36 ILE HG12 . 25627 1 429 . 1 1 40 40 ILE HG13 H 1 0.915 0.006 . 2 . . . A 36 ILE HG13 . 25627 1 430 . 1 1 40 40 ILE HG21 H 1 0.528 0.004 . 1 . . . A 36 ILE HG21 . 25627 1 431 . 1 1 40 40 ILE HG22 H 1 0.528 0.004 . 1 . . . A 36 ILE HG22 . 25627 1 432 . 1 1 40 40 ILE HG23 H 1 0.528 0.004 . 1 . . . A 36 ILE HG23 . 25627 1 433 . 1 1 40 40 ILE HD11 H 1 0.475 0.004 . 1 . . . A 36 ILE HD11 . 25627 1 434 . 1 1 40 40 ILE HD12 H 1 0.475 0.004 . 1 . . . A 36 ILE HD12 . 25627 1 435 . 1 1 40 40 ILE HD13 H 1 0.475 0.004 . 1 . . . A 36 ILE HD13 . 25627 1 436 . 1 1 40 40 ILE C C 13 179.143 0.081 . 1 . . . A 36 ILE C . 25627 1 437 . 1 1 40 40 ILE CA C 13 64.460 0.028 . 1 . . . A 36 ILE CA . 25627 1 438 . 1 1 40 40 ILE CB C 13 36.502 0.048 . 1 . . . A 36 ILE CB . 25627 1 439 . 1 1 40 40 ILE CG1 C 13 29.103 0.054 . 1 . . . A 36 ILE CG1 . 25627 1 440 . 1 1 40 40 ILE CG2 C 13 17.157 0.019 . 1 . . . A 36 ILE CG2 . 25627 1 441 . 1 1 40 40 ILE CD1 C 13 12.499 0.038 . 1 . . . A 36 ILE CD1 . 25627 1 442 . 1 1 40 40 ILE N N 15 118.404 0.056 . 1 . . . A 36 ILE N . 25627 1 443 . 1 1 41 41 GLU H H 1 8.463 0.012 . 1 . . . A 37 GLU H . 25627 1 444 . 1 1 41 41 GLU HA H 1 4.006 0.004 . 1 . . . A 37 GLU HA . 25627 1 445 . 1 1 41 41 GLU HB2 H 1 2.118 0.006 . 2 . . . A 37 GLU HB2 . 25627 1 446 . 1 1 41 41 GLU HB3 H 1 1.950 0.002 . 2 . . . A 37 GLU HB3 . 25627 1 447 . 1 1 41 41 GLU HG2 H 1 2.494 0.006 . 2 . . . A 37 GLU HG2 . 25627 1 448 . 1 1 41 41 GLU HG3 H 1 2.565 0.012 . 2 . . . A 37 GLU HG3 . 25627 1 449 . 1 1 41 41 GLU C C 13 178.417 0.066 . 1 . . . A 37 GLU C . 25627 1 450 . 1 1 41 41 GLU CA C 13 59.424 0.059 . 1 . . . A 37 GLU CA . 25627 1 451 . 1 1 41 41 GLU CB C 13 29.898 0.041 . 1 . . . A 37 GLU CB . 25627 1 452 . 1 1 41 41 GLU CG C 13 37.572 0.041 . 1 . . . A 37 GLU CG . 25627 1 453 . 1 1 41 41 GLU N N 15 120.573 0.041 . 1 . . . A 37 GLU N . 25627 1 454 . 1 1 42 42 TYR H H 1 7.949 0.015 . 1 . . . A 38 TYR H . 25627 1 455 . 1 1 42 42 TYR HA H 1 3.483 0.006 . 1 . . . A 38 TYR HA . 25627 1 456 . 1 1 42 42 TYR HB2 H 1 2.567 0.007 . 2 . . . A 38 TYR HB2 . 25627 1 457 . 1 1 42 42 TYR HB3 H 1 2.664 0.017 . 2 . . . A 38 TYR HB3 . 25627 1 458 . 1 1 42 42 TYR HD1 H 1 5.742 0.011 . 1 . . . A 38 TYR HD1 . 25627 1 459 . 1 1 42 42 TYR HD2 H 1 5.742 0.011 . 1 . . . A 38 TYR HD2 . 25627 1 460 . 1 1 42 42 TYR HE1 H 1 6.963 0.013 . 1 . . . A 38 TYR HE1 . 25627 1 461 . 1 1 42 42 TYR HE2 H 1 6.963 0.013 . 1 . . . A 38 TYR HE2 . 25627 1 462 . 1 1 42 42 TYR C C 13 176.772 0.071 . 1 . . . A 38 TYR C . 25627 1 463 . 1 1 42 42 TYR CA C 13 62.767 0.028 . 1 . . . A 38 TYR CA . 25627 1 464 . 1 1 42 42 TYR CB C 13 39.979 0.052 . 1 . . . A 38 TYR CB . 25627 1 465 . 1 1 42 42 TYR CE1 C 13 118.732 0.083 . 1 . . . A 38 TYR CE1 . 25627 1 466 . 1 1 42 42 TYR CE2 C 13 118.732 0.083 . 1 . . . A 38 TYR CE2 . 25627 1 467 . 1 1 42 42 TYR N N 15 117.942 0.036 . 1 . . . A 38 TYR N . 25627 1 468 . 1 1 43 43 LYS H H 1 8.287 0.015 . 1 . . . A 39 LYS H . 25627 1 469 . 1 1 43 43 LYS HA H 1 3.648 0.011 . 1 . . . A 39 LYS HA . 25627 1 470 . 1 1 43 43 LYS HB2 H 1 1.792 0.010 . 2 . . . A 39 LYS HB2 . 25627 1 471 . 1 1 43 43 LYS HB3 H 1 1.916 0.005 . 2 . . . A 39 LYS HB3 . 25627 1 472 . 1 1 43 43 LYS HG2 H 1 1.781 0.008 . 2 . . . A 39 LYS HG2 . 25627 1 473 . 1 1 43 43 LYS HG3 H 1 1.295 0.006 . 2 . . . A 39 LYS HG3 . 25627 1 474 . 1 1 43 43 LYS HD2 H 1 1.666 0.007 . 2 . . . A 39 LYS HD2 . 25627 1 475 . 1 1 43 43 LYS HD3 H 1 1.590 0.002 . 2 . . . A 39 LYS HD3 . 25627 1 476 . 1 1 43 43 LYS HE3 H 1 2.747 0.006 . 1 . . . A 39 LYS HE3 . 25627 1 477 . 1 1 43 43 LYS C C 13 179.543 0.074 . 1 . . . A 39 LYS C . 25627 1 478 . 1 1 43 43 LYS CA C 13 60.647 0.033 . 1 . . . A 39 LYS CA . 25627 1 479 . 1 1 43 43 LYS CB C 13 32.223 0.063 . 1 . . . A 39 LYS CB . 25627 1 480 . 1 1 43 43 LYS CG C 13 26.641 0.032 . 1 . . . A 39 LYS CG . 25627 1 481 . 1 1 43 43 LYS CD C 13 29.780 0.069 . 1 . . . A 39 LYS CD . 25627 1 482 . 1 1 43 43 LYS CE C 13 41.803 0.056 . 1 . . . A 39 LYS CE . 25627 1 483 . 1 1 43 43 LYS N N 15 115.539 0.049 . 1 . . . A 39 LYS N . 25627 1 484 . 1 1 44 44 GLN H H 1 7.605 0.007 . 1 . . . A 40 GLN H . 25627 1 485 . 1 1 44 44 GLN HA H 1 4.011 0.010 . 1 . . . A 40 GLN HA . 25627 1 486 . 1 1 44 44 GLN HB2 H 1 2.200 0.005 . 2 . . . A 40 GLN HB2 . 25627 1 487 . 1 1 44 44 GLN HB3 H 1 2.270 0.010 . 2 . . . A 40 GLN HB3 . 25627 1 488 . 1 1 44 44 GLN HG2 H 1 2.523 0.009 . 2 . . . A 40 GLN HG2 . 25627 1 489 . 1 1 44 44 GLN HG3 H 1 2.344 0.013 . 2 . . . A 40 GLN HG3 . 25627 1 490 . 1 1 44 44 GLN HE21 H 1 6.943 0.000 . 1 . . . A 40 GLN HE21 . 25627 1 491 . 1 1 44 44 GLN HE22 H 1 7.864 0.003 . 1 . . . A 40 GLN HE22 . 25627 1 492 . 1 1 44 44 GLN C C 13 178.263 0.064 . 1 . . . A 40 GLN C . 25627 1 493 . 1 1 44 44 GLN CA C 13 58.753 0.026 . 1 . . . A 40 GLN CA . 25627 1 494 . 1 1 44 44 GLN CB C 13 28.576 0.076 . 1 . . . A 40 GLN CB . 25627 1 495 . 1 1 44 44 GLN CG C 13 33.797 0.059 . 1 . . . A 40 GLN CG . 25627 1 496 . 1 1 44 44 GLN N N 15 118.265 0.059 . 1 . . . A 40 GLN N . 25627 1 497 . 1 1 44 44 GLN NE2 N 15 113.669 0.074 . 1 . . . A 40 GLN NE2 . 25627 1 498 . 1 1 45 45 VAL H H 1 8.470 0.005 . 1 . . . A 41 VAL H . 25627 1 499 . 1 1 45 45 VAL HA H 1 3.762 0.006 . 1 . . . A 41 VAL HA . 25627 1 500 . 1 1 45 45 VAL HB H 1 2.044 0.015 . 1 . . . A 41 VAL HB . 25627 1 501 . 1 1 45 45 VAL HG11 H 1 1.048 0.007 . 1 . . . A 41 VAL HG11 . 25627 1 502 . 1 1 45 45 VAL HG12 H 1 1.048 0.007 . 1 . . . A 41 VAL HG12 . 25627 1 503 . 1 1 45 45 VAL HG13 H 1 1.048 0.007 . 1 . . . A 41 VAL HG13 . 25627 1 504 . 1 1 45 45 VAL HG21 H 1 1.259 0.006 . 1 . . . A 41 VAL HG21 . 25627 1 505 . 1 1 45 45 VAL HG22 H 1 1.259 0.006 . 1 . . . A 41 VAL HG22 . 25627 1 506 . 1 1 45 45 VAL HG23 H 1 1.259 0.006 . 1 . . . A 41 VAL HG23 . 25627 1 507 . 1 1 45 45 VAL C C 13 178.092 0.057 . 1 . . . A 41 VAL C . 25627 1 508 . 1 1 45 45 VAL CA C 13 65.709 0.040 . 1 . . . A 41 VAL CA . 25627 1 509 . 1 1 45 45 VAL CB C 13 32.642 0.068 . 1 . . . A 41 VAL CB . 25627 1 510 . 1 1 45 45 VAL CG1 C 13 21.533 0.051 . 1 . . . A 41 VAL CG1 . 25627 1 511 . 1 1 45 45 VAL CG2 C 13 23.484 0.032 . 1 . . . A 41 VAL CG2 . 25627 1 512 . 1 1 45 45 VAL N N 15 118.627 0.030 . 1 . . . A 41 VAL N . 25627 1 513 . 1 1 46 46 LYS H H 1 8.263 0.013 . 1 . . . A 42 LYS H . 25627 1 514 . 1 1 46 46 LYS HA H 1 4.250 0.007 . 1 . . . A 42 LYS HA . 25627 1 515 . 1 1 46 46 LYS HB2 H 1 1.108 0.006 . 2 . . . A 42 LYS HB2 . 25627 1 516 . 1 1 46 46 LYS HB3 H 1 1.543 0.006 . 2 . . . A 42 LYS HB3 . 25627 1 517 . 1 1 46 46 LYS HG2 H 1 0.877 0.013 . 2 . . . A 42 LYS HG2 . 25627 1 518 . 1 1 46 46 LYS HG3 H 1 1.011 0.009 . 2 . . . A 42 LYS HG3 . 25627 1 519 . 1 1 46 46 LYS HD2 H 1 1.595 0.006 . 2 . . . A 42 LYS HD2 . 25627 1 520 . 1 1 46 46 LYS HD3 H 1 1.447 0.004 . 2 . . . A 42 LYS HD3 . 25627 1 521 . 1 1 46 46 LYS HE2 H 1 2.814 0.006 . 1 . . . A 42 LYS HE2 . 25627 1 522 . 1 1 46 46 LYS C C 13 176.102 0.068 . 1 . . . A 42 LYS C . 25627 1 523 . 1 1 46 46 LYS CA C 13 53.901 0.041 . 1 . . . A 42 LYS CA . 25627 1 524 . 1 1 46 46 LYS CB C 13 31.165 0.038 . 1 . . . A 42 LYS CB . 25627 1 525 . 1 1 46 46 LYS CG C 13 23.717 0.025 . 1 . . . A 42 LYS CG . 25627 1 526 . 1 1 46 46 LYS CD C 13 27.593 0.031 . 1 . . . A 42 LYS CD . 25627 1 527 . 1 1 46 46 LYS CE C 13 42.865 0.062 . 1 . . . A 42 LYS CE . 25627 1 528 . 1 1 46 46 LYS N N 15 115.117 0.049 . 1 . . . A 42 LYS N . 25627 1 529 . 1 1 47 47 GLN H H 1 7.717 0.009 . 1 . . . A 43 GLN H . 25627 1 530 . 1 1 47 47 GLN HA H 1 3.968 0.012 . 1 . . . A 43 GLN HA . 25627 1 531 . 1 1 47 47 GLN HB2 H 1 2.162 0.008 . 2 . . . A 43 GLN HB2 . 25627 1 532 . 1 1 47 47 GLN HB3 H 1 2.121 0.004 . 2 . . . A 43 GLN HB3 . 25627 1 533 . 1 1 47 47 GLN HG2 H 1 2.183 0.003 . 2 . . . A 43 GLN HG2 . 25627 1 534 . 1 1 47 47 GLN HG3 H 1 2.177 0.000 . 2 . . . A 43 GLN HG3 . 25627 1 535 . 1 1 47 47 GLN HE21 H 1 6.823 0.008 . 1 . . . A 43 GLN HE21 . 25627 1 536 . 1 1 47 47 GLN HE22 H 1 7.683 0.009 . 1 . . . A 43 GLN HE22 . 25627 1 537 . 1 1 47 47 GLN C C 13 175.125 0.067 . 1 . . . A 43 GLN C . 25627 1 538 . 1 1 47 47 GLN CA C 13 56.555 0.017 . 1 . . . A 43 GLN CA . 25627 1 539 . 1 1 47 47 GLN CB C 13 25.912 0.052 . 1 . . . A 43 GLN CB . 25627 1 540 . 1 1 47 47 GLN CG C 13 34.208 0.061 . 1 . . . A 43 GLN CG . 25627 1 541 . 1 1 47 47 GLN N N 15 116.108 0.056 . 1 . . . A 43 GLN N . 25627 1 542 . 1 1 47 47 GLN NE2 N 15 113.474 0.084 . 1 . . . A 43 GLN NE2 . 25627 1 543 . 1 1 48 48 VAL H H 1 6.817 0.006 . 1 . . . A 44 VAL H . 25627 1 544 . 1 1 48 48 VAL HA H 1 4.558 0.008 . 1 . . . A 44 VAL HA . 25627 1 545 . 1 1 48 48 VAL HB H 1 2.183 0.008 . 1 . . . A 44 VAL HB . 25627 1 546 . 1 1 48 48 VAL HG11 H 1 0.758 0.009 . 1 . . . A 44 VAL HG11 . 25627 1 547 . 1 1 48 48 VAL HG12 H 1 0.758 0.009 . 1 . . . A 44 VAL HG12 . 25627 1 548 . 1 1 48 48 VAL HG13 H 1 0.758 0.009 . 1 . . . A 44 VAL HG13 . 25627 1 549 . 1 1 48 48 VAL HG21 H 1 0.919 0.007 . 1 . . . A 44 VAL HG21 . 25627 1 550 . 1 1 48 48 VAL HG22 H 1 0.919 0.007 . 1 . . . A 44 VAL HG22 . 25627 1 551 . 1 1 48 48 VAL HG23 H 1 0.919 0.007 . 1 . . . A 44 VAL HG23 . 25627 1 552 . 1 1 48 48 VAL C C 13 175.431 0.088 . 1 . . . A 44 VAL C . 25627 1 553 . 1 1 48 48 VAL CA C 13 59.240 0.044 . 1 . . . A 44 VAL CA . 25627 1 554 . 1 1 48 48 VAL CB C 13 34.732 0.051 . 1 . . . A 44 VAL CB . 25627 1 555 . 1 1 48 48 VAL CG1 C 13 21.729 0.041 . 1 . . . A 44 VAL CG1 . 25627 1 556 . 1 1 48 48 VAL CG2 C 13 19.450 0.030 . 1 . . . A 44 VAL CG2 . 25627 1 557 . 1 1 48 48 VAL N N 15 110.285 0.052 . 1 . . . A 44 VAL N . 25627 1 558 . 1 1 49 49 ALA H H 1 8.571 0.011 . 1 . . . A 45 ALA H . 25627 1 559 . 1 1 49 49 ALA HA H 1 4.355 0.006 . 1 . . . A 45 ALA HA . 25627 1 560 . 1 1 49 49 ALA HB1 H 1 1.421 0.007 . 1 . . . A 45 ALA HB1 . 25627 1 561 . 1 1 49 49 ALA HB2 H 1 1.421 0.007 . 1 . . . A 45 ALA HB2 . 25627 1 562 . 1 1 49 49 ALA HB3 H 1 1.421 0.007 . 1 . . . A 45 ALA HB3 . 25627 1 563 . 1 1 49 49 ALA C C 13 177.543 0.000 . 1 . . . A 45 ALA C . 25627 1 564 . 1 1 49 49 ALA CA C 13 52.821 0.020 . 1 . . . A 45 ALA CA . 25627 1 565 . 1 1 49 49 ALA CB C 13 19.812 0.034 . 1 . . . A 45 ALA CB . 25627 1 566 . 1 1 49 49 ALA N N 15 123.422 0.057 . 1 . . . A 45 ALA N . 25627 1 567 . 1 1 50 50 MET H H 1 7.657 0.006 . 1 . . . A 46 MET H . 25627 1 568 . 1 1 50 50 MET HA H 1 4.724 0.006 . 1 . . . A 46 MET HA . 25627 1 569 . 1 1 50 50 MET HB2 H 1 1.993 0.007 . 2 . . . A 46 MET HB2 . 25627 1 570 . 1 1 50 50 MET HB3 H 1 2.101 0.002 . 2 . . . A 46 MET HB3 . 25627 1 571 . 1 1 50 50 MET HG3 H 1 2.436 0.007 . 1 . . . A 46 MET HG3 . 25627 1 572 . 1 1 50 50 MET C C 13 173.698 0.000 . 1 . . . A 46 MET C . 25627 1 573 . 1 1 50 50 MET CA C 13 54.230 0.016 . 1 . . . A 46 MET CA . 25627 1 574 . 1 1 50 50 MET CB C 13 34.793 0.052 . 1 . . . A 46 MET CB . 25627 1 575 . 1 1 50 50 MET CG C 13 31.231 0.046 . 1 . . . A 46 MET CG . 25627 1 576 . 1 1 50 50 MET N N 15 114.808 0.048 . 1 . . . A 46 MET N . 25627 1 577 . 1 1 51 51 VAL H H 1 8.459 0.009 . 1 . . . A 47 VAL H . 25627 1 578 . 1 1 51 51 VAL HA H 1 4.279 0.006 . 1 . . . A 47 VAL HA . 25627 1 579 . 1 1 51 51 VAL HB H 1 2.019 0.009 . 1 . . . A 47 VAL HB . 25627 1 580 . 1 1 51 51 VAL HG11 H 1 0.923 0.009 . 1 . . . A 47 VAL HG11 . 25627 1 581 . 1 1 51 51 VAL HG12 H 1 0.923 0.009 . 1 . . . A 47 VAL HG12 . 25627 1 582 . 1 1 51 51 VAL HG13 H 1 0.923 0.009 . 1 . . . A 47 VAL HG13 . 25627 1 583 . 1 1 51 51 VAL HG21 H 1 0.978 0.017 . 1 . . . A 47 VAL HG21 . 25627 1 584 . 1 1 51 51 VAL HG22 H 1 0.978 0.017 . 1 . . . A 47 VAL HG22 . 25627 1 585 . 1 1 51 51 VAL HG23 H 1 0.978 0.017 . 1 . . . A 47 VAL HG23 . 25627 1 586 . 1 1 51 51 VAL C C 13 174.985 0.064 . 1 . . . A 47 VAL C . 25627 1 587 . 1 1 51 51 VAL CA C 13 61.036 0.039 . 1 . . . A 47 VAL CA . 25627 1 588 . 1 1 51 51 VAL CB C 13 33.826 0.043 . 1 . . . A 47 VAL CB . 25627 1 589 . 1 1 51 51 VAL CG1 C 13 22.534 0.023 . 1 . . . A 47 VAL CG1 . 25627 1 590 . 1 1 51 51 VAL CG2 C 13 21.739 0.018 . 1 . . . A 47 VAL CG2 . 25627 1 591 . 1 1 51 51 VAL N N 15 120.757 0.055 . 1 . . . A 47 VAL N . 25627 1 592 . 1 1 52 52 ASP H H 1 8.929 0.016 . 1 . . . A 48 ASP H . 25627 1 593 . 1 1 52 52 ASP HA H 1 4.473 0.006 . 1 . . . A 48 ASP HA . 25627 1 594 . 1 1 52 52 ASP HB2 H 1 2.428 0.011 . 2 . . . A 48 ASP HB2 . 25627 1 595 . 1 1 52 52 ASP HB3 H 1 2.539 0.011 . 2 . . . A 48 ASP HB3 . 25627 1 596 . 1 1 52 52 ASP C C 13 175.819 0.069 . 1 . . . A 48 ASP C . 25627 1 597 . 1 1 52 52 ASP CA C 13 55.472 0.044 . 1 . . . A 48 ASP CA . 25627 1 598 . 1 1 52 52 ASP CB C 13 42.134 0.055 . 1 . . . A 48 ASP CB . 25627 1 599 . 1 1 52 52 ASP N N 15 126.251 0.090 . 1 . . . A 48 ASP N . 25627 1 600 . 1 1 53 53 ARG H H 1 8.534 0.032 . 1 . . . A 49 ARG H . 25627 1 601 . 1 1 53 53 ARG HA H 1 4.759 0.012 . 1 . . . A 49 ARG HA . 25627 1 602 . 1 1 53 53 ARG HB2 H 1 1.419 0.010 . 2 . . . A 49 ARG HB2 . 25627 1 603 . 1 1 53 53 ARG HB3 H 1 1.364 0.006 . 2 . . . A 49 ARG HB3 . 25627 1 604 . 1 1 53 53 ARG HG2 H 1 1.595 0.006 . 2 . . . A 49 ARG HG2 . 25627 1 605 . 1 1 53 53 ARG HG3 H 1 1.230 0.008 . 2 . . . A 49 ARG HG3 . 25627 1 606 . 1 1 53 53 ARG HD2 H 1 3.142 0.021 . 2 . . . A 49 ARG HD2 . 25627 1 607 . 1 1 53 53 ARG HD3 H 1 3.174 0.004 . 2 . . . A 49 ARG HD3 . 25627 1 608 . 1 1 53 53 ARG C C 13 176.363 0.088 . 1 . . . A 49 ARG C . 25627 1 609 . 1 1 53 53 ARG CA C 13 54.614 0.021 . 1 . . . A 49 ARG CA . 25627 1 610 . 1 1 53 53 ARG CB C 13 34.470 0.062 . 1 . . . A 49 ARG CB . 25627 1 611 . 1 1 53 53 ARG CG C 13 28.572 0.042 . 1 . . . A 49 ARG CG . 25627 1 612 . 1 1 53 53 ARG CD C 13 43.112 0.024 . 1 . . . A 49 ARG CD . 25627 1 613 . 1 1 53 53 ARG N N 15 122.995 0.055 . 1 . . . A 49 ARG N . 25627 1 614 . 1 1 54 54 TRP H H 1 9.111 0.007 . 1 . . . A 50 TRP H . 25627 1 615 . 1 1 54 54 TRP HA H 1 4.664 0.014 . 1 . . . A 50 TRP HA . 25627 1 616 . 1 1 54 54 TRP HB2 H 1 3.520 0.007 . 2 . . . A 50 TRP HB2 . 25627 1 617 . 1 1 54 54 TRP HB3 H 1 3.200 0.008 . 2 . . . A 50 TRP HB3 . 25627 1 618 . 1 1 54 54 TRP HD1 H 1 6.908 0.010 . 1 . . . A 50 TRP HD1 . 25627 1 619 . 1 1 54 54 TRP HE1 H 1 9.588 0.005 . 1 . . . A 50 TRP HE1 . 25627 1 620 . 1 1 54 54 TRP HE3 H 1 7.268 0.006 . 1 . . . A 50 TRP HE3 . 25627 1 621 . 1 1 54 54 TRP HZ2 H 1 7.915 0.007 . 1 . . . A 50 TRP HZ2 . 25627 1 622 . 1 1 54 54 TRP HZ3 H 1 7.122 0.006 . 1 . . . A 50 TRP HZ3 . 25627 1 623 . 1 1 54 54 TRP HH2 H 1 7.401 0.004 . 1 . . . A 50 TRP HH2 . 25627 1 624 . 1 1 54 54 TRP CA C 13 55.595 0.072 . 1 . . . A 50 TRP CA . 25627 1 625 . 1 1 54 54 TRP CB C 13 29.113 0.060 . 1 . . . A 50 TRP CB . 25627 1 626 . 1 1 54 54 TRP CD1 C 13 126.672 0.057 . 1 . . . A 50 TRP CD1 . 25627 1 627 . 1 1 54 54 TRP CE3 C 13 120.189 0.000 . 1 . . . A 50 TRP CE3 . 25627 1 628 . 1 1 54 54 TRP CZ2 C 13 115.580 0.048 . 1 . . . A 50 TRP CZ2 . 25627 1 629 . 1 1 54 54 TRP CZ3 C 13 122.035 0.045 . 1 . . . A 50 TRP CZ3 . 25627 1 630 . 1 1 54 54 TRP CH2 C 13 125.381 0.000 . 1 . . . A 50 TRP CH2 . 25627 1 631 . 1 1 54 54 TRP N N 15 125.191 0.053 . 1 . . . A 50 TRP N . 25627 1 632 . 1 1 54 54 TRP NE1 N 15 128.826 0.047 . 1 . . . A 50 TRP NE1 . 25627 1 633 . 1 1 55 55 PRO HA H 1 4.345 0.004 . 1 . . . A 51 PRO HA . 25627 1 634 . 1 1 55 55 PRO HB2 H 1 2.029 0.007 . 2 . . . A 51 PRO HB2 . 25627 1 635 . 1 1 55 55 PRO HB3 H 1 2.409 0.006 . 2 . . . A 51 PRO HB3 . 25627 1 636 . 1 1 55 55 PRO HG2 H 1 2.138 0.006 . 2 . . . A 51 PRO HG2 . 25627 1 637 . 1 1 55 55 PRO HG3 H 1 2.222 0.002 . 2 . . . A 51 PRO HG3 . 25627 1 638 . 1 1 55 55 PRO HD2 H 1 4.153 0.006 . 2 . . . A 51 PRO HD2 . 25627 1 639 . 1 1 55 55 PRO HD3 H 1 4.346 0.006 . 2 . . . A 51 PRO HD3 . 25627 1 640 . 1 1 55 55 PRO C C 13 178.698 0.000 . 1 . . . A 51 PRO C . 25627 1 641 . 1 1 55 55 PRO CA C 13 64.574 0.090 . 1 . . . A 51 PRO CA . 25627 1 642 . 1 1 55 55 PRO CB C 13 32.163 0.070 . 1 . . . A 51 PRO CB . 25627 1 643 . 1 1 55 55 PRO CG C 13 27.685 0.034 . 1 . . . A 51 PRO CG . 25627 1 644 . 1 1 55 55 PRO CD C 13 51.521 0.048 . 1 . . . A 51 PRO CD . 25627 1 645 . 1 1 56 56 GLU H H 1 9.951 0.006 . 1 . . . A 52 GLU H . 25627 1 646 . 1 1 56 56 GLU HA H 1 3.970 0.007 . 1 . . . A 52 GLU HA . 25627 1 647 . 1 1 56 56 GLU HB3 H 1 2.061 0.004 . 1 . . . A 52 GLU HB3 . 25627 1 648 . 1 1 56 56 GLU HG2 H 1 2.449 0.011 . 2 . . . A 52 GLU HG2 . 25627 1 649 . 1 1 56 56 GLU HG3 H 1 2.340 0.007 . 2 . . . A 52 GLU HG3 . 25627 1 650 . 1 1 56 56 GLU C C 13 178.031 0.000 . 1 . . . A 52 GLU C . 25627 1 651 . 1 1 56 56 GLU CA C 13 60.758 0.024 . 1 . . . A 52 GLU CA . 25627 1 652 . 1 1 56 56 GLU CB C 13 29.614 0.063 . 1 . . . A 52 GLU CB . 25627 1 653 . 1 1 56 56 GLU CG C 13 37.152 0.055 . 1 . . . A 52 GLU CG . 25627 1 654 . 1 1 56 56 GLU N N 15 116.570 0.037 . 1 . . . A 52 GLU N . 25627 1 655 . 1 1 57 57 THR H H 1 7.120 0.006 . 1 . . . A 53 THR H . 25627 1 656 . 1 1 57 57 THR HA H 1 4.135 0.006 . 1 . . . A 53 THR HA . 25627 1 657 . 1 1 57 57 THR HB H 1 2.914 0.009 . 1 . . . A 53 THR HB . 25627 1 658 . 1 1 57 57 THR HG21 H 1 0.943 0.007 . 1 . . . A 53 THR HG21 . 25627 1 659 . 1 1 57 57 THR HG22 H 1 0.943 0.007 . 1 . . . A 53 THR HG22 . 25627 1 660 . 1 1 57 57 THR HG23 H 1 0.943 0.007 . 1 . . . A 53 THR HG23 . 25627 1 661 . 1 1 57 57 THR C C 13 175.731 0.000 . 1 . . . A 53 THR C . 25627 1 662 . 1 1 57 57 THR CA C 13 60.427 0.038 . 1 . . . A 53 THR CA . 25627 1 663 . 1 1 57 57 THR CB C 13 70.762 0.077 . 1 . . . A 53 THR CB . 25627 1 664 . 1 1 57 57 THR CG2 C 13 22.042 0.053 . 1 . . . A 53 THR CG2 . 25627 1 665 . 1 1 57 57 THR N N 15 103.788 0.061 . 1 . . . A 53 THR N . 25627 1 666 . 1 1 58 58 GLY H H 1 8.227 0.011 . 1 . . . A 54 GLY H . 25627 1 667 . 1 1 58 58 GLY HA2 H 1 3.789 0.006 . 2 . . . A 54 GLY HA2 . 25627 1 668 . 1 1 58 58 GLY HA3 H 1 4.166 0.005 . 2 . . . A 54 GLY HA3 . 25627 1 669 . 1 1 58 58 GLY C C 13 174.593 0.065 . 1 . . . A 54 GLY C . 25627 1 670 . 1 1 58 58 GLY CA C 13 45.748 0.029 . 1 . . . A 54 GLY CA . 25627 1 671 . 1 1 58 58 GLY N N 15 109.195 0.049 . 1 . . . A 54 GLY N . 25627 1 672 . 1 1 59 59 TYR H H 1 7.353 0.008 . 1 . . . A 55 TYR H . 25627 1 673 . 1 1 59 59 TYR HA H 1 5.705 0.005 . 1 . . . A 55 TYR HA . 25627 1 674 . 1 1 59 59 TYR HB2 H 1 2.876 0.011 . 2 . . . A 55 TYR HB2 . 25627 1 675 . 1 1 59 59 TYR HB3 H 1 3.176 0.006 . 2 . . . A 55 TYR HB3 . 25627 1 676 . 1 1 59 59 TYR HD1 H 1 7.053 0.011 . 1 . . . A 55 TYR HD1 . 25627 1 677 . 1 1 59 59 TYR HD2 H 1 7.053 0.011 . 1 . . . A 55 TYR HD2 . 25627 1 678 . 1 1 59 59 TYR HE1 H 1 6.833 0.005 . 1 . . . A 55 TYR HE1 . 25627 1 679 . 1 1 59 59 TYR HE2 H 1 6.833 0.005 . 1 . . . A 55 TYR HE2 . 25627 1 680 . 1 1 59 59 TYR C C 13 177.556 0.057 . 1 . . . A 55 TYR C . 25627 1 681 . 1 1 59 59 TYR CA C 13 53.730 0.025 . 1 . . . A 55 TYR CA . 25627 1 682 . 1 1 59 59 TYR CB C 13 38.741 0.061 . 1 . . . A 55 TYR CB . 25627 1 683 . 1 1 59 59 TYR CD1 C 13 132.433 0.026 . 1 . . . A 55 TYR CD1 . 25627 1 684 . 1 1 59 59 TYR CD2 C 13 132.433 0.026 . 1 . . . A 55 TYR CD2 . 25627 1 685 . 1 1 59 59 TYR CE1 C 13 117.335 0.038 . 1 . . . A 55 TYR CE1 . 25627 1 686 . 1 1 59 59 TYR CE2 C 13 117.335 0.038 . 1 . . . A 55 TYR CE2 . 25627 1 687 . 1 1 59 59 TYR N N 15 119.038 0.050 . 1 . . . A 55 TYR N . 25627 1 688 . 1 1 60 60 VAL H H 1 8.252 0.006 . 1 . . . A 56 VAL H . 25627 1 689 . 1 1 60 60 VAL HA H 1 3.613 0.005 . 1 . . . A 56 VAL HA . 25627 1 690 . 1 1 60 60 VAL HB H 1 1.259 0.004 . 1 . . . A 56 VAL HB . 25627 1 691 . 1 1 60 60 VAL HG11 H 1 0.377 0.006 . 1 . . . A 56 VAL HG11 . 25627 1 692 . 1 1 60 60 VAL HG12 H 1 0.377 0.006 . 1 . . . A 56 VAL HG12 . 25627 1 693 . 1 1 60 60 VAL HG13 H 1 0.377 0.006 . 1 . . . A 56 VAL HG13 . 25627 1 694 . 1 1 60 60 VAL HG21 H 1 0.484 0.009 . 1 . . . A 56 VAL HG21 . 25627 1 695 . 1 1 60 60 VAL HG22 H 1 0.484 0.009 . 1 . . . A 56 VAL HG22 . 25627 1 696 . 1 1 60 60 VAL HG23 H 1 0.484 0.009 . 1 . . . A 56 VAL HG23 . 25627 1 697 . 1 1 60 60 VAL C C 13 174.564 0.000 . 1 . . . A 56 VAL C . 25627 1 698 . 1 1 60 60 VAL CA C 13 64.767 0.061 . 1 . . . A 56 VAL CA . 25627 1 699 . 1 1 60 60 VAL CB C 13 32.767 0.056 . 1 . . . A 56 VAL CB . 25627 1 700 . 1 1 60 60 VAL CG1 C 13 21.589 0.066 . 1 . . . A 56 VAL CG1 . 25627 1 701 . 1 1 60 60 VAL CG2 C 13 21.765 0.024 . 1 . . . A 56 VAL CG2 . 25627 1 702 . 1 1 60 60 VAL N N 15 120.089 0.025 . 1 . . . A 56 VAL N . 25627 1 703 . 1 1 61 61 LYS H H 1 9.005 0.004 . 1 . . . A 57 LYS H . 25627 1 704 . 1 1 61 61 LYS HA H 1 4.448 0.006 . 1 . . . A 57 LYS HA . 25627 1 705 . 1 1 61 61 LYS HB2 H 1 0.826 0.015 . 2 . . . A 57 LYS HB2 . 25627 1 706 . 1 1 61 61 LYS HB3 H 1 0.870 0.008 . 2 . . . A 57 LYS HB3 . 25627 1 707 . 1 1 61 61 LYS HG2 H 1 0.502 0.012 . 2 . . . A 57 LYS HG2 . 25627 1 708 . 1 1 61 61 LYS HG3 H 1 0.655 0.009 . 2 . . . A 57 LYS HG3 . 25627 1 709 . 1 1 61 61 LYS HD2 H 1 0.179 0.005 . 2 . . . A 57 LYS HD2 . 25627 1 710 . 1 1 61 61 LYS HD3 H 1 0.926 0.015 . 2 . . . A 57 LYS HD3 . 25627 1 711 . 1 1 61 61 LYS HE3 H 1 1.742 0.007 . 1 . . . A 57 LYS HE3 . 25627 1 712 . 1 1 61 61 LYS C C 13 175.256 0.053 . 1 . . . A 57 LYS C . 25627 1 713 . 1 1 61 61 LYS CA C 13 57.983 0.044 . 1 . . . A 57 LYS CA . 25627 1 714 . 1 1 61 61 LYS CB C 13 35.250 0.057 . 1 . . . A 57 LYS CB . 25627 1 715 . 1 1 61 61 LYS CG C 13 24.876 0.052 . 1 . . . A 57 LYS CG . 25627 1 716 . 1 1 61 61 LYS CD C 13 29.673 0.049 . 1 . . . A 57 LYS CD . 25627 1 717 . 1 1 61 61 LYS CE C 13 41.127 0.045 . 1 . . . A 57 LYS CE . 25627 1 718 . 1 1 61 61 LYS N N 15 127.233 0.040 . 1 . . . A 57 LYS N . 25627 1 719 . 1 1 62 62 LYS H H 1 6.921 0.008 . 1 . . . A 58 LYS H . 25627 1 720 . 1 1 62 62 LYS HA H 1 5.370 0.009 . 1 . . . A 58 LYS HA . 25627 1 721 . 1 1 62 62 LYS HB2 H 1 1.642 0.004 . 2 . . . A 58 LYS HB2 . 25627 1 722 . 1 1 62 62 LYS HB3 H 1 1.456 0.003 . 2 . . . A 58 LYS HB3 . 25627 1 723 . 1 1 62 62 LYS HG2 H 1 0.911 0.008 . 2 . . . A 58 LYS HG2 . 25627 1 724 . 1 1 62 62 LYS HG3 H 1 1.008 0.007 . 2 . . . A 58 LYS HG3 . 25627 1 725 . 1 1 62 62 LYS HD2 H 1 1.213 0.005 . 2 . . . A 58 LYS HD2 . 25627 1 726 . 1 1 62 62 LYS HD3 H 1 1.386 0.007 . 2 . . . A 58 LYS HD3 . 25627 1 727 . 1 1 62 62 LYS HE2 H 1 2.593 0.008 . 2 . . . A 58 LYS HE2 . 25627 1 728 . 1 1 62 62 LYS HE3 H 1 2.466 0.009 . 2 . . . A 58 LYS HE3 . 25627 1 729 . 1 1 62 62 LYS C C 13 174.030 0.072 . 1 . . . A 58 LYS C . 25627 1 730 . 1 1 62 62 LYS CA C 13 54.854 0.048 . 1 . . . A 58 LYS CA . 25627 1 731 . 1 1 62 62 LYS CB C 13 35.823 0.054 . 1 . . . A 58 LYS CB . 25627 1 732 . 1 1 62 62 LYS CG C 13 24.003 0.063 . 1 . . . A 58 LYS CG . 25627 1 733 . 1 1 62 62 LYS CD C 13 30.196 0.030 . 1 . . . A 58 LYS CD . 25627 1 734 . 1 1 62 62 LYS CE C 13 41.873 0.052 . 1 . . . A 58 LYS CE . 25627 1 735 . 1 1 62 62 LYS N N 15 115.918 0.067 . 1 . . . A 58 LYS N . 25627 1 736 . 1 1 63 63 LEU H H 1 8.793 0.008 . 1 . . . A 59 LEU H . 25627 1 737 . 1 1 63 63 LEU HA H 1 4.649 0.006 . 1 . . . A 59 LEU HA . 25627 1 738 . 1 1 63 63 LEU HB2 H 1 1.150 0.004 . 2 . . . A 59 LEU HB2 . 25627 1 739 . 1 1 63 63 LEU HB3 H 1 1.490 0.007 . 2 . . . A 59 LEU HB3 . 25627 1 740 . 1 1 63 63 LEU HG H 1 1.073 0.007 . 1 . . . A 59 LEU HG . 25627 1 741 . 1 1 63 63 LEU HD11 H 1 0.005 0.005 . 1 . . . A 59 LEU HD11 . 25627 1 742 . 1 1 63 63 LEU HD12 H 1 0.005 0.005 . 1 . . . A 59 LEU HD12 . 25627 1 743 . 1 1 63 63 LEU HD13 H 1 0.005 0.005 . 1 . . . A 59 LEU HD13 . 25627 1 744 . 1 1 63 63 LEU HD21 H 1 0.256 0.009 . 1 . . . A 59 LEU HD21 . 25627 1 745 . 1 1 63 63 LEU HD22 H 1 0.256 0.009 . 1 . . . A 59 LEU HD22 . 25627 1 746 . 1 1 63 63 LEU HD23 H 1 0.256 0.009 . 1 . . . A 59 LEU HD23 . 25627 1 747 . 1 1 63 63 LEU C C 13 174.451 0.060 . 1 . . . A 59 LEU C . 25627 1 748 . 1 1 63 63 LEU CA C 13 53.472 0.048 . 1 . . . A 59 LEU CA . 25627 1 749 . 1 1 63 63 LEU CB C 13 46.939 0.045 . 1 . . . A 59 LEU CB . 25627 1 750 . 1 1 63 63 LEU CG C 13 26.586 0.025 . 1 . . . A 59 LEU CG . 25627 1 751 . 1 1 63 63 LEU CD1 C 13 22.799 0.056 . 1 . . . A 59 LEU CD1 . 25627 1 752 . 1 1 63 63 LEU CD2 C 13 26.951 0.025 . 1 . . . A 59 LEU CD2 . 25627 1 753 . 1 1 63 63 LEU N N 15 121.666 0.051 . 1 . . . A 59 LEU N . 25627 1 754 . 1 1 64 64 GLN H H 1 8.879 0.015 . 1 . . . A 60 GLN H . 25627 1 755 . 1 1 64 64 GLN HA H 1 4.436 0.008 . 1 . . . A 60 GLN HA . 25627 1 756 . 1 1 64 64 GLN HB2 H 1 1.578 0.007 . 2 . . . A 60 GLN HB2 . 25627 1 757 . 1 1 64 64 GLN HB3 H 1 2.070 0.008 . 2 . . . A 60 GLN HB3 . 25627 1 758 . 1 1 64 64 GLN HG2 H 1 1.195 0.010 . 2 . . . A 60 GLN HG2 . 25627 1 759 . 1 1 64 64 GLN HG3 H 1 2.110 0.007 . 2 . . . A 60 GLN HG3 . 25627 1 760 . 1 1 64 64 GLN HE21 H 1 6.656 0.003 . 1 . . . A 60 GLN HE21 . 25627 1 761 . 1 1 64 64 GLN HE22 H 1 7.056 0.005 . 1 . . . A 60 GLN HE22 . 25627 1 762 . 1 1 64 64 GLN C C 13 176.636 0.078 . 1 . . . A 60 GLN C . 25627 1 763 . 1 1 64 64 GLN CA C 13 54.917 0.049 . 1 . . . A 60 GLN CA . 25627 1 764 . 1 1 64 64 GLN CB C 13 30.336 0.051 . 1 . . . A 60 GLN CB . 25627 1 765 . 1 1 64 64 GLN CG C 13 34.660 0.042 . 1 . . . A 60 GLN CG . 25627 1 766 . 1 1 64 64 GLN N N 15 121.710 0.073 . 1 . . . A 60 GLN N . 25627 1 767 . 1 1 64 64 GLN NE2 N 15 113.652 0.088 . 1 . . . A 60 GLN NE2 . 25627 1 768 . 1 1 65 65 ARG H H 1 9.387 0.010 . 1 . . . A 61 ARG H . 25627 1 769 . 1 1 65 65 ARG HA H 1 4.543 0.003 . 1 . . . A 61 ARG HA . 25627 1 770 . 1 1 65 65 ARG HB3 H 1 2.099 0.007 . 1 . . . A 61 ARG HB3 . 25627 1 771 . 1 1 65 65 ARG HG2 H 1 1.638 0.005 . 2 . . . A 61 ARG HG2 . 25627 1 772 . 1 1 65 65 ARG HG3 H 1 1.686 0.006 . 2 . . . A 61 ARG HG3 . 25627 1 773 . 1 1 65 65 ARG HD2 H 1 2.783 0.019 . 2 . . . A 61 ARG HD2 . 25627 1 774 . 1 1 65 65 ARG HD3 H 1 2.834 0.010 . 2 . . . A 61 ARG HD3 . 25627 1 775 . 1 1 65 65 ARG C C 13 178.315 0.081 . 1 . . . A 61 ARG C . 25627 1 776 . 1 1 65 65 ARG CA C 13 57.573 0.050 . 1 . . . A 61 ARG CA . 25627 1 777 . 1 1 65 65 ARG CB C 13 31.901 0.053 . 1 . . . A 61 ARG CB . 25627 1 778 . 1 1 65 65 ARG CG C 13 28.261 0.031 . 1 . . . A 61 ARG CG . 25627 1 779 . 1 1 65 65 ARG CD C 13 43.756 0.036 . 1 . . . A 61 ARG CD . 25627 1 780 . 1 1 65 65 ARG N N 15 126.172 0.042 . 1 . . . A 61 ARG N . 25627 1 781 . 1 1 66 66 ARG H H 1 9.385 0.012 . 1 . . . A 62 ARG H . 25627 1 782 . 1 1 66 66 ARG HA H 1 3.868 0.015 . 1 . . . A 62 ARG HA . 25627 1 783 . 1 1 66 66 ARG HB2 H 1 1.895 0.008 . 2 . . . A 62 ARG HB2 . 25627 1 784 . 1 1 66 66 ARG HB3 H 1 1.605 0.010 . 2 . . . A 62 ARG HB3 . 25627 1 785 . 1 1 66 66 ARG HG2 H 1 1.899 0.011 . 1 . . . A 62 ARG HG2 . 25627 1 786 . 1 1 66 66 ARG HD2 H 1 3.195 0.007 . 2 . . . A 62 ARG HD2 . 25627 1 787 . 1 1 66 66 ARG HD3 H 1 3.007 0.009 . 2 . . . A 62 ARG HD3 . 25627 1 788 . 1 1 66 66 ARG HE H 1 6.529 0.005 . 1 . . . A 62 ARG HE . 25627 1 789 . 1 1 66 66 ARG C C 13 176.508 0.066 . 1 . . . A 62 ARG C . 25627 1 790 . 1 1 66 66 ARG CA C 13 59.863 0.039 . 1 . . . A 62 ARG CA . 25627 1 791 . 1 1 66 66 ARG CB C 13 29.464 0.041 . 1 . . . A 62 ARG CB . 25627 1 792 . 1 1 66 66 ARG CG C 13 29.909 0.021 . 1 . . . A 62 ARG CG . 25627 1 793 . 1 1 66 66 ARG CD C 13 43.426 0.030 . 1 . . . A 62 ARG CD . 25627 1 794 . 1 1 66 66 ARG N N 15 123.754 0.063 . 1 . . . A 62 ARG N . 25627 1 795 . 1 1 66 66 ARG NE N 15 116.828 0.022 . 1 . . . A 62 ARG NE . 25627 1 796 . 1 1 67 67 ASP H H 1 7.505 0.008 . 1 . . . A 63 ASP H . 25627 1 797 . 1 1 67 67 ASP HA H 1 4.431 0.010 . 1 . . . A 63 ASP HA . 25627 1 798 . 1 1 67 67 ASP HB2 H 1 2.477 0.004 . 2 . . . A 63 ASP HB2 . 25627 1 799 . 1 1 67 67 ASP HB3 H 1 3.068 0.006 . 2 . . . A 63 ASP HB3 . 25627 1 800 . 1 1 67 67 ASP C C 13 176.163 0.092 . 1 . . . A 63 ASP C . 25627 1 801 . 1 1 67 67 ASP CA C 13 53.186 0.040 . 1 . . . A 63 ASP CA . 25627 1 802 . 1 1 67 67 ASP CB C 13 39.756 0.063 . 1 . . . A 63 ASP CB . 25627 1 803 . 1 1 67 67 ASP N N 15 116.155 0.046 . 1 . . . A 63 ASP N . 25627 1 804 . 1 1 68 68 ASN H H 1 7.791 0.009 . 1 . . . A 64 ASN H . 25627 1 805 . 1 1 68 68 ASN HA H 1 4.087 0.006 . 1 . . . A 64 ASN HA . 25627 1 806 . 1 1 68 68 ASN HB2 H 1 2.852 0.009 . 2 . . . A 64 ASN HB2 . 25627 1 807 . 1 1 68 68 ASN HB3 H 1 3.285 0.006 . 2 . . . A 64 ASN HB3 . 25627 1 808 . 1 1 68 68 ASN HD21 H 1 6.774 0.007 . 1 . . . A 64 ASN HD21 . 25627 1 809 . 1 1 68 68 ASN HD22 H 1 7.368 0.003 . 1 . . . A 64 ASN HD22 . 25627 1 810 . 1 1 68 68 ASN C C 13 175.432 0.089 . 1 . . . A 64 ASN C . 25627 1 811 . 1 1 68 68 ASN CA C 13 55.430 0.037 . 1 . . . A 64 ASN CA . 25627 1 812 . 1 1 68 68 ASN CB C 13 36.034 0.033 . 1 . . . A 64 ASN CB . 25627 1 813 . 1 1 68 68 ASN N N 15 110.183 0.046 . 1 . . . A 64 ASN N . 25627 1 814 . 1 1 68 68 ASN ND2 N 15 111.452 0.040 . 1 . . . A 64 ASN ND2 . 25627 1 815 . 1 1 69 69 THR H H 1 7.921 0.008 . 1 . . . A 65 THR H . 25627 1 816 . 1 1 69 69 THR HA H 1 4.414 0.008 . 1 . . . A 65 THR HA . 25627 1 817 . 1 1 69 69 THR HB H 1 4.349 0.003 . 1 . . . A 65 THR HB . 25627 1 818 . 1 1 69 69 THR HG21 H 1 1.214 0.006 . 1 . . . A 65 THR HG21 . 25627 1 819 . 1 1 69 69 THR HG22 H 1 1.214 0.006 . 1 . . . A 65 THR HG22 . 25627 1 820 . 1 1 69 69 THR HG23 H 1 1.214 0.006 . 1 . . . A 65 THR HG23 . 25627 1 821 . 1 1 69 69 THR C C 13 173.653 0.058 . 1 . . . A 65 THR C . 25627 1 822 . 1 1 69 69 THR CA C 13 62.342 0.052 . 1 . . . A 65 THR CA . 25627 1 823 . 1 1 69 69 THR CB C 13 70.946 0.059 . 1 . . . A 65 THR CB . 25627 1 824 . 1 1 69 69 THR CG2 C 13 21.931 0.044 . 1 . . . A 65 THR CG2 . 25627 1 825 . 1 1 69 69 THR N N 15 112.736 0.047 . 1 . . . A 65 THR N . 25627 1 826 . 1 1 70 70 PHE H H 1 8.926 0.010 . 1 . . . A 66 PHE H . 25627 1 827 . 1 1 70 70 PHE HA H 1 5.144 0.006 . 1 . . . A 66 PHE HA . 25627 1 828 . 1 1 70 70 PHE HB2 H 1 2.853 0.006 . 2 . . . A 66 PHE HB2 . 25627 1 829 . 1 1 70 70 PHE HB3 H 1 2.272 0.006 . 2 . . . A 66 PHE HB3 . 25627 1 830 . 1 1 70 70 PHE HD1 H 1 7.066 0.003 . 1 . . . A 66 PHE HD1 . 25627 1 831 . 1 1 70 70 PHE HD2 H 1 7.066 0.003 . 1 . . . A 66 PHE HD2 . 25627 1 832 . 1 1 70 70 PHE HE1 H 1 7.375 0.015 . 1 . . . A 66 PHE HE1 . 25627 1 833 . 1 1 70 70 PHE HE2 H 1 7.375 0.015 . 1 . . . A 66 PHE HE2 . 25627 1 834 . 1 1 70 70 PHE C C 13 174.762 0.064 . 1 . . . A 66 PHE C . 25627 1 835 . 1 1 70 70 PHE CA C 13 58.479 0.056 . 1 . . . A 66 PHE CA . 25627 1 836 . 1 1 70 70 PHE CB C 13 42.263 0.044 . 1 . . . A 66 PHE CB . 25627 1 837 . 1 1 70 70 PHE CD1 C 13 131.489 0.052 . 1 . . . A 66 PHE CD1 . 25627 1 838 . 1 1 70 70 PHE CD2 C 13 131.489 0.052 . 1 . . . A 66 PHE CD2 . 25627 1 839 . 1 1 70 70 PHE CE1 C 13 131.502 0.010 . 1 . . . A 66 PHE CE1 . 25627 1 840 . 1 1 70 70 PHE CE2 C 13 131.502 0.010 . 1 . . . A 66 PHE CE2 . 25627 1 841 . 1 1 70 70 PHE N N 15 118.850 0.041 . 1 . . . A 66 PHE N . 25627 1 842 . 1 1 71 71 PHE H H 1 9.142 0.010 . 1 . . . A 67 PHE H . 25627 1 843 . 1 1 71 71 PHE HA H 1 4.664 0.005 . 1 . . . A 67 PHE HA . 25627 1 844 . 1 1 71 71 PHE HB2 H 1 2.548 0.008 . 2 . . . A 67 PHE HB2 . 25627 1 845 . 1 1 71 71 PHE HB3 H 1 2.872 0.010 . 2 . . . A 67 PHE HB3 . 25627 1 846 . 1 1 71 71 PHE HD1 H 1 6.870 0.009 . 1 . . . A 67 PHE HD1 . 25627 1 847 . 1 1 71 71 PHE HD2 H 1 6.870 0.009 . 1 . . . A 67 PHE HD2 . 25627 1 848 . 1 1 71 71 PHE HE1 H 1 7.207 0.002 . 1 . . . A 67 PHE HE1 . 25627 1 849 . 1 1 71 71 PHE HE2 H 1 7.207 0.002 . 1 . . . A 67 PHE HE2 . 25627 1 850 . 1 1 71 71 PHE C C 13 173.553 0.066 . 1 . . . A 67 PHE C . 25627 1 851 . 1 1 71 71 PHE CA C 13 55.904 0.058 . 1 . . . A 67 PHE CA . 25627 1 852 . 1 1 71 71 PHE CB C 13 42.337 0.045 . 1 . . . A 67 PHE CB . 25627 1 853 . 1 1 71 71 PHE CD1 C 13 130.384 0.045 . 1 . . . A 67 PHE CD1 . 25627 1 854 . 1 1 71 71 PHE CD2 C 13 130.384 0.045 . 1 . . . A 67 PHE CD2 . 25627 1 855 . 1 1 71 71 PHE N N 15 124.259 0.073 . 1 . . . A 67 PHE N . 25627 1 856 . 1 1 72 72 TYR H H 1 8.064 0.009 . 1 . . . A 68 TYR H . 25627 1 857 . 1 1 72 72 TYR HA H 1 4.871 0.005 . 1 . . . A 68 TYR HA . 25627 1 858 . 1 1 72 72 TYR HB2 H 1 2.625 0.006 . 2 . . . A 68 TYR HB2 . 25627 1 859 . 1 1 72 72 TYR HB3 H 1 3.227 0.006 . 2 . . . A 68 TYR HB3 . 25627 1 860 . 1 1 72 72 TYR HD1 H 1 7.152 0.006 . 1 . . . A 68 TYR HD1 . 25627 1 861 . 1 1 72 72 TYR HD2 H 1 7.152 0.006 . 1 . . . A 68 TYR HD2 . 25627 1 862 . 1 1 72 72 TYR HE1 H 1 6.651 0.002 . 1 . . . A 68 TYR HE1 . 25627 1 863 . 1 1 72 72 TYR HE2 H 1 6.651 0.002 . 1 . . . A 68 TYR HE2 . 25627 1 864 . 1 1 72 72 TYR C C 13 174.835 0.074 . 1 . . . A 68 TYR C . 25627 1 865 . 1 1 72 72 TYR CA C 13 57.393 0.058 . 1 . . . A 68 TYR CA . 25627 1 866 . 1 1 72 72 TYR CB C 13 40.189 0.039 . 1 . . . A 68 TYR CB . 25627 1 867 . 1 1 72 72 TYR CD1 C 13 133.450 0.028 . 1 . . . A 68 TYR CD1 . 25627 1 868 . 1 1 72 72 TYR CD2 C 13 133.450 0.028 . 1 . . . A 68 TYR CD2 . 25627 1 869 . 1 1 72 72 TYR CE1 C 13 117.597 0.037 . 1 . . . A 68 TYR CE1 . 25627 1 870 . 1 1 72 72 TYR CE2 C 13 117.597 0.037 . 1 . . . A 68 TYR CE2 . 25627 1 871 . 1 1 72 72 TYR N N 15 122.881 0.051 . 1 . . . A 68 TYR N . 25627 1 872 . 1 1 73 73 TYR H H 1 8.384 0.005 . 1 . . . A 69 TYR H . 25627 1 873 . 1 1 73 73 TYR HA H 1 5.025 0.006 . 1 . . . A 69 TYR HA . 25627 1 874 . 1 1 73 73 TYR HB2 H 1 3.324 0.008 . 2 . . . A 69 TYR HB2 . 25627 1 875 . 1 1 73 73 TYR HB3 H 1 3.108 0.010 . 2 . . . A 69 TYR HB3 . 25627 1 876 . 1 1 73 73 TYR HD1 H 1 7.011 0.011 . 1 . . . A 69 TYR HD1 . 25627 1 877 . 1 1 73 73 TYR HD2 H 1 7.011 0.011 . 1 . . . A 69 TYR HD2 . 25627 1 878 . 1 1 73 73 TYR HE1 H 1 6.407 0.004 . 1 . . . A 69 TYR HE1 . 25627 1 879 . 1 1 73 73 TYR HE2 H 1 6.407 0.004 . 1 . . . A 69 TYR HE2 . 25627 1 880 . 1 1 73 73 TYR C C 13 177.181 0.000 . 1 . . . A 69 TYR C . 25627 1 881 . 1 1 73 73 TYR CA C 13 56.912 0.041 . 1 . . . A 69 TYR CA . 25627 1 882 . 1 1 73 73 TYR CB C 13 43.423 0.036 . 1 . . . A 69 TYR CB . 25627 1 883 . 1 1 73 73 TYR CD1 C 13 133.353 0.045 . 1 . . . A 69 TYR CD1 . 25627 1 884 . 1 1 73 73 TYR CD2 C 13 133.353 0.045 . 1 . . . A 69 TYR CD2 . 25627 1 885 . 1 1 73 73 TYR CE1 C 13 122.076 0.032 . 1 . . . A 69 TYR CE1 . 25627 1 886 . 1 1 73 73 TYR CE2 C 13 122.076 0.032 . 1 . . . A 69 TYR CE2 . 25627 1 887 . 1 1 73 73 TYR N N 15 118.675 0.033 . 1 . . . A 69 TYR N . 25627 1 888 . 1 1 74 74 ASN H H 1 9.832 0.010 . 1 . . . A 70 ASN H . 25627 1 889 . 1 1 74 74 ASN HA H 1 4.795 0.014 . 1 . . . A 70 ASN HA . 25627 1 890 . 1 1 74 74 ASN HB2 H 1 3.046 0.003 . 2 . . . A 70 ASN HB2 . 25627 1 891 . 1 1 74 74 ASN HB3 H 1 3.002 0.004 . 2 . . . A 70 ASN HB3 . 25627 1 892 . 1 1 74 74 ASN HD21 H 1 6.838 0.007 . 1 . . . A 70 ASN HD21 . 25627 1 893 . 1 1 74 74 ASN HD22 H 1 7.343 0.010 . 1 . . . A 70 ASN HD22 . 25627 1 894 . 1 1 74 74 ASN C C 13 175.433 0.074 . 1 . . . A 70 ASN C . 25627 1 895 . 1 1 74 74 ASN CA C 13 53.359 0.048 . 1 . . . A 70 ASN CA . 25627 1 896 . 1 1 74 74 ASN CB C 13 39.377 0.065 . 1 . . . A 70 ASN CB . 25627 1 897 . 1 1 74 74 ASN N N 15 122.917 0.020 . 1 . . . A 70 ASN N . 25627 1 898 . 1 1 74 74 ASN ND2 N 15 111.170 0.039 . 1 . . . A 70 ASN ND2 . 25627 1 899 . 1 1 75 75 LYS H H 1 8.047 0.010 . 1 . . . A 71 LYS H . 25627 1 900 . 1 1 75 75 LYS HA H 1 2.239 0.004 . 1 . . . A 71 LYS HA . 25627 1 901 . 1 1 75 75 LYS HB2 H 1 0.489 0.008 . 2 . . . A 71 LYS HB2 . 25627 1 902 . 1 1 75 75 LYS HB3 H 1 0.194 0.007 . 2 . . . A 71 LYS HB3 . 25627 1 903 . 1 1 75 75 LYS HG2 H 1 0.677 0.011 . 2 . . . A 71 LYS HG2 . 25627 1 904 . 1 1 75 75 LYS HG3 H 1 0.699 0.005 . 2 . . . A 71 LYS HG3 . 25627 1 905 . 1 1 75 75 LYS HD2 H 1 1.343 0.002 . 2 . . . A 71 LYS HD2 . 25627 1 906 . 1 1 75 75 LYS HD3 H 1 1.264 0.003 . 2 . . . A 71 LYS HD3 . 25627 1 907 . 1 1 75 75 LYS HE2 H 1 2.683 0.006 . 2 . . . A 71 LYS HE2 . 25627 1 908 . 1 1 75 75 LYS HE3 H 1 2.740 0.001 . 2 . . . A 71 LYS HE3 . 25627 1 909 . 1 1 75 75 LYS C C 13 175.495 0.065 . 1 . . . A 71 LYS C . 25627 1 910 . 1 1 75 75 LYS CA C 13 58.421 0.048 . 1 . . . A 71 LYS CA . 25627 1 911 . 1 1 75 75 LYS CB C 13 32.077 0.061 . 1 . . . A 71 LYS CB . 25627 1 912 . 1 1 75 75 LYS CG C 13 23.784 0.039 . 1 . . . A 71 LYS CG . 25627 1 913 . 1 1 75 75 LYS CD C 13 29.474 0.031 . 1 . . . A 71 LYS CD . 25627 1 914 . 1 1 75 75 LYS CE C 13 41.673 0.073 . 1 . . . A 71 LYS CE . 25627 1 915 . 1 1 75 75 LYS N N 15 123.116 0.034 . 1 . . . A 71 LYS N . 25627 1 916 . 1 1 76 76 GLU H H 1 7.335 0.008 . 1 . . . A 72 GLU H . 25627 1 917 . 1 1 76 76 GLU HA H 1 4.378 0.006 . 1 . . . A 72 GLU HA . 25627 1 918 . 1 1 76 76 GLU HB2 H 1 1.751 0.006 . 2 . . . A 72 GLU HB2 . 25627 1 919 . 1 1 76 76 GLU HB3 H 1 2.034 0.011 . 2 . . . A 72 GLU HB3 . 25627 1 920 . 1 1 76 76 GLU HG3 H 1 2.161 0.007 . 1 . . . A 72 GLU HG3 . 25627 1 921 . 1 1 76 76 GLU C C 13 175.018 0.066 . 1 . . . A 72 GLU C . 25627 1 922 . 1 1 76 76 GLU CA C 13 54.807 0.037 . 1 . . . A 72 GLU CA . 25627 1 923 . 1 1 76 76 GLU CB C 13 30.432 0.058 . 1 . . . A 72 GLU CB . 25627 1 924 . 1 1 76 76 GLU CG C 13 36.414 0.067 . 1 . . . A 72 GLU CG . 25627 1 925 . 1 1 76 76 GLU N N 15 113.242 0.082 . 1 . . . A 72 GLU N . 25627 1 926 . 1 1 77 77 ARG H H 1 8.174 0.009 . 1 . . . A 73 ARG H . 25627 1 927 . 1 1 77 77 ARG HA H 1 3.354 0.004 . 1 . . . A 73 ARG HA . 25627 1 928 . 1 1 77 77 ARG HB2 H 1 1.366 0.006 . 2 . . . A 73 ARG HB2 . 25627 1 929 . 1 1 77 77 ARG HB3 H 1 1.625 0.006 . 2 . . . A 73 ARG HB3 . 25627 1 930 . 1 1 77 77 ARG HG2 H 1 0.710 0.005 . 2 . . . A 73 ARG HG2 . 25627 1 931 . 1 1 77 77 ARG HG3 H 1 1.553 0.003 . 2 . . . A 73 ARG HG3 . 25627 1 932 . 1 1 77 77 ARG HD2 H 1 2.100 0.004 . 2 . . . A 73 ARG HD2 . 25627 1 933 . 1 1 77 77 ARG HD3 H 1 1.054 0.011 . 2 . . . A 73 ARG HD3 . 25627 1 934 . 1 1 77 77 ARG C C 13 175.859 0.000 . 1 . . . A 73 ARG C . 25627 1 935 . 1 1 77 77 ARG CA C 13 57.674 0.020 . 1 . . . A 73 ARG CA . 25627 1 936 . 1 1 77 77 ARG CB C 13 31.134 0.040 . 1 . . . A 73 ARG CB . 25627 1 937 . 1 1 77 77 ARG CG C 13 25.927 0.047 . 1 . . . A 73 ARG CG . 25627 1 938 . 1 1 77 77 ARG CD C 13 42.676 0.065 . 1 . . . A 73 ARG CD . 25627 1 939 . 1 1 77 77 ARG N N 15 118.120 0.035 . 1 . . . A 73 ARG N . 25627 1 940 . 1 1 78 78 GLU H H 1 10.788 0.009 . 1 . . . A 74 GLU H . 25627 1 941 . 1 1 78 78 GLU HA H 1 4.493 0.006 . 1 . . . A 74 GLU HA . 25627 1 942 . 1 1 78 78 GLU HB2 H 1 2.415 0.008 . 2 . . . A 74 GLU HB2 . 25627 1 943 . 1 1 78 78 GLU HB3 H 1 2.129 0.006 . 2 . . . A 74 GLU HB3 . 25627 1 944 . 1 1 78 78 GLU HG2 H 1 2.397 0.009 . 2 . . . A 74 GLU HG2 . 25627 1 945 . 1 1 78 78 GLU HG3 H 1 2.610 0.006 . 2 . . . A 74 GLU HG3 . 25627 1 946 . 1 1 78 78 GLU C C 13 176.415 0.075 . 1 . . . A 74 GLU C . 25627 1 947 . 1 1 78 78 GLU CA C 13 57.061 0.020 . 1 . . . A 74 GLU CA . 25627 1 948 . 1 1 78 78 GLU CB C 13 33.462 0.054 . 1 . . . A 74 GLU CB . 25627 1 949 . 1 1 78 78 GLU CG C 13 37.392 0.034 . 1 . . . A 74 GLU CG . 25627 1 950 . 1 1 78 78 GLU N N 15 127.360 0.036 . 1 . . . A 74 GLU N . 25627 1 951 . 1 1 79 79 CYS H H 1 9.198 0.006 . 1 . . . A 75 CYS H . 25627 1 952 . 1 1 79 79 CYS HA H 1 3.476 0.011 . 1 . . . A 75 CYS HA . 25627 1 953 . 1 1 79 79 CYS HB2 H 1 3.021 0.006 . 2 . . . A 75 CYS HB2 . 25627 1 954 . 1 1 79 79 CYS HB3 H 1 1.657 0.007 . 2 . . . A 75 CYS HB3 . 25627 1 955 . 1 1 79 79 CYS C C 13 174.198 0.073 . 1 . . . A 75 CYS C . 25627 1 956 . 1 1 79 79 CYS CA C 13 59.022 0.038 . 1 . . . A 75 CYS CA . 25627 1 957 . 1 1 79 79 CYS CB C 13 26.222 0.042 . 1 . . . A 75 CYS CB . 25627 1 958 . 1 1 79 79 CYS N N 15 123.441 0.057 . 1 . . . A 75 CYS N . 25627 1 959 . 1 1 80 80 GLU H H 1 8.452 0.014 . 1 . . . A 76 GLU H . 25627 1 960 . 1 1 80 80 GLU HA H 1 3.995 0.007 . 1 . . . A 76 GLU HA . 25627 1 961 . 1 1 80 80 GLU HB2 H 1 2.215 0.017 . 2 . . . A 76 GLU HB2 . 25627 1 962 . 1 1 80 80 GLU HB3 H 1 1.824 0.005 . 2 . . . A 76 GLU HB3 . 25627 1 963 . 1 1 80 80 GLU HG2 H 1 2.225 0.019 . 2 . . . A 76 GLU HG2 . 25627 1 964 . 1 1 80 80 GLU HG3 H 1 2.309 0.006 . 2 . . . A 76 GLU HG3 . 25627 1 965 . 1 1 80 80 GLU C C 13 177.122 0.055 . 1 . . . A 76 GLU C . 25627 1 966 . 1 1 80 80 GLU CA C 13 56.816 0.000 . 1 . . . A 76 GLU CA . 25627 1 967 . 1 1 80 80 GLU CB C 13 30.668 0.104 . 1 . . . A 76 GLU CB . 25627 1 968 . 1 1 80 80 GLU CG C 13 36.799 0.000 . 1 . . . A 76 GLU CG . 25627 1 969 . 1 1 80 80 GLU N N 15 131.177 0.044 . 1 . . . A 76 GLU N . 25627 1 970 . 1 1 81 81 ASP H H 1 9.067 0.010 . 1 . . . A 77 ASP H . 25627 1 971 . 1 1 81 81 ASP HA H 1 4.336 0.007 . 1 . . . A 77 ASP HA . 25627 1 972 . 1 1 81 81 ASP HB3 H 1 2.656 0.008 . 1 . . . A 77 ASP HB3 . 25627 1 973 . 1 1 81 81 ASP C C 13 179.545 0.064 . 1 . . . A 77 ASP C . 25627 1 974 . 1 1 81 81 ASP CA C 13 58.610 0.039 . 1 . . . A 77 ASP CA . 25627 1 975 . 1 1 81 81 ASP CB C 13 39.949 0.054 . 1 . . . A 77 ASP CB . 25627 1 976 . 1 1 81 81 ASP N N 15 123.154 0.035 . 1 . . . A 77 ASP N . 25627 1 977 . 1 1 82 82 LYS H H 1 8.664 0.011 . 1 . . . A 78 LYS H . 25627 1 978 . 1 1 82 82 LYS HA H 1 4.298 0.006 . 1 . . . A 78 LYS HA . 25627 1 979 . 1 1 82 82 LYS HB2 H 1 1.878 0.011 . 2 . . . A 78 LYS HB2 . 25627 1 980 . 1 1 82 82 LYS HB3 H 1 2.002 0.006 . 2 . . . A 78 LYS HB3 . 25627 1 981 . 1 1 82 82 LYS HG3 H 1 1.429 0.009 . 1 . . . A 78 LYS HG3 . 25627 1 982 . 1 1 82 82 LYS HD2 H 1 1.692 0.010 . 1 . . . A 78 LYS HD2 . 25627 1 983 . 1 1 82 82 LYS HE2 H 1 3.007 0.007 . 1 . . . A 78 LYS HE2 . 25627 1 984 . 1 1 82 82 LYS C C 13 176.146 0.090 . 1 . . . A 78 LYS C . 25627 1 985 . 1 1 82 82 LYS CA C 13 58.484 0.047 . 1 . . . A 78 LYS CA . 25627 1 986 . 1 1 82 82 LYS CB C 13 31.840 0.073 . 1 . . . A 78 LYS CB . 25627 1 987 . 1 1 82 82 LYS CG C 13 24.486 0.070 . 1 . . . A 78 LYS CG . 25627 1 988 . 1 1 82 82 LYS CD C 13 29.476 0.000 . 1 . . . A 78 LYS CD . 25627 1 989 . 1 1 82 82 LYS CE C 13 42.132 0.027 . 1 . . . A 78 LYS CE . 25627 1 990 . 1 1 82 82 LYS N N 15 116.055 0.045 . 1 . . . A 78 LYS N . 25627 1 991 . 1 1 83 83 GLU H H 1 7.735 0.007 . 1 . . . A 79 GLU H . 25627 1 992 . 1 1 83 83 GLU HA H 1 4.447 0.007 . 1 . . . A 79 GLU HA . 25627 1 993 . 1 1 83 83 GLU HB2 H 1 2.014 0.012 . 2 . . . A 79 GLU HB2 . 25627 1 994 . 1 1 83 83 GLU HB3 H 1 2.311 0.012 . 2 . . . A 79 GLU HB3 . 25627 1 995 . 1 1 83 83 GLU HG2 H 1 2.081 0.002 . 2 . . . A 79 GLU HG2 . 25627 1 996 . 1 1 83 83 GLU HG3 H 1 2.548 0.019 . 2 . . . A 79 GLU HG3 . 25627 1 997 . 1 1 83 83 GLU C C 13 177.666 0.069 . 1 . . . A 79 GLU C . 25627 1 998 . 1 1 83 83 GLU CA C 13 55.605 0.036 . 1 . . . A 79 GLU CA . 25627 1 999 . 1 1 83 83 GLU CB C 13 30.988 0.057 . 1 . . . A 79 GLU CB . 25627 1 1000 . 1 1 83 83 GLU CG C 13 36.366 0.055 . 1 . . . A 79 GLU CG . 25627 1 1001 . 1 1 83 83 GLU N N 15 117.481 0.051 . 1 . . . A 79 GLU N . 25627 1 1002 . 1 1 84 84 VAL H H 1 7.274 0.006 . 1 . . . A 80 VAL H . 25627 1 1003 . 1 1 84 84 VAL HA H 1 3.243 0.008 . 1 . . . A 80 VAL HA . 25627 1 1004 . 1 1 84 84 VAL HB H 1 2.093 0.005 . 1 . . . A 80 VAL HB . 25627 1 1005 . 1 1 84 84 VAL HG11 H 1 0.610 0.005 . 1 . . . A 80 VAL HG11 . 25627 1 1006 . 1 1 84 84 VAL HG12 H 1 0.610 0.005 . 1 . . . A 80 VAL HG12 . 25627 1 1007 . 1 1 84 84 VAL HG13 H 1 0.610 0.005 . 1 . . . A 80 VAL HG13 . 25627 1 1008 . 1 1 84 84 VAL HG21 H 1 1.187 0.009 . 1 . . . A 80 VAL HG21 . 25627 1 1009 . 1 1 84 84 VAL HG22 H 1 1.187 0.009 . 1 . . . A 80 VAL HG22 . 25627 1 1010 . 1 1 84 84 VAL HG23 H 1 1.187 0.009 . 1 . . . A 80 VAL HG23 . 25627 1 1011 . 1 1 84 84 VAL C C 13 176.731 0.000 . 1 . . . A 80 VAL C . 25627 1 1012 . 1 1 84 84 VAL CA C 13 66.875 0.051 . 1 . . . A 80 VAL CA . 25627 1 1013 . 1 1 84 84 VAL CB C 13 32.173 0.065 . 1 . . . A 80 VAL CB . 25627 1 1014 . 1 1 84 84 VAL CG1 C 13 21.526 0.039 . 1 . . . A 80 VAL CG1 . 25627 1 1015 . 1 1 84 84 VAL CG2 C 13 24.771 0.024 . 1 . . . A 80 VAL CG2 . 25627 1 1016 . 1 1 84 84 VAL N N 15 121.192 0.043 . 1 . . . A 80 VAL N . 25627 1 1017 . 1 1 85 85 HIS H H 1 8.157 0.010 . 1 . . . A 81 HIS H . 25627 1 1018 . 1 1 85 85 HIS HA H 1 4.648 0.002 . 1 . . . A 81 HIS HA . 25627 1 1019 . 1 1 85 85 HIS HB2 H 1 3.061 0.016 . 2 . . . A 81 HIS HB2 . 25627 1 1020 . 1 1 85 85 HIS HB3 H 1 3.245 0.006 . 2 . . . A 81 HIS HB3 . 25627 1 1021 . 1 1 85 85 HIS HD2 H 1 7.015 0.003 . 1 . . . A 81 HIS HD2 . 25627 1 1022 . 1 1 85 85 HIS C C 13 175.330 0.082 . 1 . . . A 81 HIS C . 25627 1 1023 . 1 1 85 85 HIS CA C 13 57.747 0.032 . 1 . . . A 81 HIS CA . 25627 1 1024 . 1 1 85 85 HIS CB C 13 29.180 0.066 . 1 . . . A 81 HIS CB . 25627 1 1025 . 1 1 85 85 HIS N N 15 112.861 0.016 . 1 . . . A 81 HIS N . 25627 1 1026 . 1 1 86 86 LYS H H 1 7.264 0.011 . 1 . . . A 82 LYS H . 25627 1 1027 . 1 1 86 86 LYS HA H 1 4.011 0.006 . 1 . . . A 82 LYS HA . 25627 1 1028 . 1 1 86 86 LYS HB2 H 1 1.853 0.015 . 2 . . . A 82 LYS HB2 . 25627 1 1029 . 1 1 86 86 LYS HB3 H 1 1.937 0.020 . 2 . . . A 82 LYS HB3 . 25627 1 1030 . 1 1 86 86 LYS HG2 H 1 1.118 0.011 . 2 . . . A 82 LYS HG2 . 25627 1 1031 . 1 1 86 86 LYS HG3 H 1 0.694 0.005 . 2 . . . A 82 LYS HG3 . 25627 1 1032 . 1 1 86 86 LYS HD2 H 1 1.685 0.011 . 1 . . . A 82 LYS HD2 . 25627 1 1033 . 1 1 86 86 LYS HE2 H 1 2.940 0.003 . 2 . . . A 82 LYS HE2 . 25627 1 1034 . 1 1 86 86 LYS HE3 H 1 3.009 0.005 . 2 . . . A 82 LYS HE3 . 25627 1 1035 . 1 1 86 86 LYS C C 13 177.430 0.000 . 1 . . . A 82 LYS C . 25627 1 1036 . 1 1 86 86 LYS CA C 13 56.591 0.037 . 1 . . . A 82 LYS CA . 25627 1 1037 . 1 1 86 86 LYS CB C 13 33.083 0.043 . 1 . . . A 82 LYS CB . 25627 1 1038 . 1 1 86 86 LYS CG C 13 25.425 0.052 . 1 . . . A 82 LYS CG . 25627 1 1039 . 1 1 86 86 LYS CD C 13 29.611 0.038 . 1 . . . A 82 LYS CD . 25627 1 1040 . 1 1 86 86 LYS CE C 13 42.315 0.034 . 1 . . . A 82 LYS CE . 25627 1 1041 . 1 1 86 86 LYS N N 15 117.850 0.031 . 1 . . . A 82 LYS N . 25627 1 1042 . 1 1 87 87 VAL H H 1 8.126 0.010 . 1 . . . A 83 VAL H . 25627 1 1043 . 1 1 87 87 VAL HA H 1 3.880 0.012 . 1 . . . A 83 VAL HA . 25627 1 1044 . 1 1 87 87 VAL HB H 1 2.324 0.007 . 1 . . . A 83 VAL HB . 25627 1 1045 . 1 1 87 87 VAL HG11 H 1 1.062 0.005 . 1 . . . A 83 VAL HG11 . 25627 1 1046 . 1 1 87 87 VAL HG12 H 1 1.062 0.005 . 1 . . . A 83 VAL HG12 . 25627 1 1047 . 1 1 87 87 VAL HG13 H 1 1.062 0.005 . 1 . . . A 83 VAL HG13 . 25627 1 1048 . 1 1 87 87 VAL HG21 H 1 1.201 0.005 . 1 . . . A 83 VAL HG21 . 25627 1 1049 . 1 1 87 87 VAL HG22 H 1 1.201 0.005 . 1 . . . A 83 VAL HG22 . 25627 1 1050 . 1 1 87 87 VAL HG23 H 1 1.201 0.005 . 1 . . . A 83 VAL HG23 . 25627 1 1051 . 1 1 87 87 VAL C C 13 175.239 0.072 . 1 . . . A 83 VAL C . 25627 1 1052 . 1 1 87 87 VAL CA C 13 63.812 0.046 . 1 . . . A 83 VAL CA . 25627 1 1053 . 1 1 87 87 VAL CB C 13 31.548 0.070 . 1 . . . A 83 VAL CB . 25627 1 1054 . 1 1 87 87 VAL CG1 C 13 22.974 0.093 . 1 . . . A 83 VAL CG1 . 25627 1 1055 . 1 1 87 87 VAL CG2 C 13 23.473 0.048 . 1 . . . A 83 VAL CG2 . 25627 1 1056 . 1 1 87 87 VAL N N 15 123.619 0.050 . 1 . . . A 83 VAL N . 25627 1 1057 . 1 1 88 88 LYS H H 1 9.031 0.008 . 1 . . . A 84 LYS H . 25627 1 1058 . 1 1 88 88 LYS HA H 1 4.453 0.004 . 1 . . . A 84 LYS HA . 25627 1 1059 . 1 1 88 88 LYS HB2 H 1 1.017 0.005 . 2 . . . A 84 LYS HB2 . 25627 1 1060 . 1 1 88 88 LYS HB3 H 1 1.614 0.007 . 2 . . . A 84 LYS HB3 . 25627 1 1061 . 1 1 88 88 LYS HG2 H 1 1.423 0.008 . 2 . . . A 84 LYS HG2 . 25627 1 1062 . 1 1 88 88 LYS HG3 H 1 1.160 0.006 . 2 . . . A 84 LYS HG3 . 25627 1 1063 . 1 1 88 88 LYS HD2 H 1 1.573 0.006 . 1 . . . A 84 LYS HD2 . 25627 1 1064 . 1 1 88 88 LYS HE3 H 1 2.928 0.006 . 1 . . . A 84 LYS HE3 . 25627 1 1065 . 1 1 88 88 LYS C C 13 174.399 0.000 . 1 . . . A 84 LYS C . 25627 1 1066 . 1 1 88 88 LYS CA C 13 55.817 0.050 . 1 . . . A 84 LYS CA . 25627 1 1067 . 1 1 88 88 LYS CB C 13 34.106 0.037 . 1 . . . A 84 LYS CB . 25627 1 1068 . 1 1 88 88 LYS CG C 13 26.244 0.041 . 1 . . . A 84 LYS CG . 25627 1 1069 . 1 1 88 88 LYS CD C 13 29.341 0.090 . 1 . . . A 84 LYS CD . 25627 1 1070 . 1 1 88 88 LYS CE C 13 42.390 0.032 . 1 . . . A 84 LYS CE . 25627 1 1071 . 1 1 88 88 LYS N N 15 128.994 0.051 . 1 . . . A 84 LYS N . 25627 1 1072 . 1 1 89 89 VAL H H 1 8.299 0.006 . 1 . . . A 85 VAL H . 25627 1 1073 . 1 1 89 89 VAL HA H 1 4.030 0.007 . 1 . . . A 85 VAL HA . 25627 1 1074 . 1 1 89 89 VAL HB H 1 1.662 0.006 . 1 . . . A 85 VAL HB . 25627 1 1075 . 1 1 89 89 VAL HG11 H 1 0.714 0.021 . 1 . . . A 85 VAL HG11 . 25627 1 1076 . 1 1 89 89 VAL HG12 H 1 0.714 0.021 . 1 . . . A 85 VAL HG12 . 25627 1 1077 . 1 1 89 89 VAL HG13 H 1 0.714 0.021 . 1 . . . A 85 VAL HG13 . 25627 1 1078 . 1 1 89 89 VAL HG21 H 1 0.661 0.016 . 1 . . . A 85 VAL HG21 . 25627 1 1079 . 1 1 89 89 VAL HG22 H 1 0.661 0.016 . 1 . . . A 85 VAL HG22 . 25627 1 1080 . 1 1 89 89 VAL HG23 H 1 0.661 0.016 . 1 . . . A 85 VAL HG23 . 25627 1 1081 . 1 1 89 89 VAL C C 13 175.482 0.082 . 1 . . . A 85 VAL C . 25627 1 1082 . 1 1 89 89 VAL CA C 13 61.642 0.044 . 1 . . . A 85 VAL CA . 25627 1 1083 . 1 1 89 89 VAL CB C 13 32.488 0.065 . 1 . . . A 85 VAL CB . 25627 1 1084 . 1 1 89 89 VAL CG1 C 13 20.928 0.029 . 1 . . . A 85 VAL CG1 . 25627 1 1085 . 1 1 89 89 VAL CG2 C 13 20.111 0.021 . 1 . . . A 85 VAL CG2 . 25627 1 1086 . 1 1 89 89 VAL N N 15 120.723 0.094 . 1 . . . A 85 VAL N . 25627 1 1087 . 1 1 90 90 TYR H H 1 8.077 0.007 . 1 . . . A 86 TYR H . 25627 1 1088 . 1 1 90 90 TYR HA H 1 4.726 0.005 . 1 . . . A 86 TYR HA . 25627 1 1089 . 1 1 90 90 TYR HB2 H 1 2.336 0.003 . 2 . . . A 86 TYR HB2 . 25627 1 1090 . 1 1 90 90 TYR HB3 H 1 2.727 0.005 . 2 . . . A 86 TYR HB3 . 25627 1 1091 . 1 1 90 90 TYR HD1 H 1 6.921 0.010 . 1 . . . A 86 TYR HD1 . 25627 1 1092 . 1 1 90 90 TYR HD2 H 1 6.921 0.010 . 1 . . . A 86 TYR HD2 . 25627 1 1093 . 1 1 90 90 TYR HE1 H 1 6.796 0.003 . 1 . . . A 86 TYR HE1 . 25627 1 1094 . 1 1 90 90 TYR HE2 H 1 6.796 0.003 . 1 . . . A 86 TYR HE2 . 25627 1 1095 . 1 1 90 90 TYR C C 13 175.214 0.068 . 1 . . . A 86 TYR C . 25627 1 1096 . 1 1 90 90 TYR CA C 13 58.540 0.011 . 1 . . . A 86 TYR CA . 25627 1 1097 . 1 1 90 90 TYR CB C 13 41.052 0.052 . 1 . . . A 86 TYR CB . 25627 1 1098 . 1 1 90 90 TYR CD1 C 13 133.191 0.032 . 1 . . . A 86 TYR CD1 . 25627 1 1099 . 1 1 90 90 TYR CD2 C 13 133.191 0.032 . 1 . . . A 86 TYR CD2 . 25627 1 1100 . 1 1 90 90 TYR CE1 C 13 118.663 0.053 . 1 . . . A 86 TYR CE1 . 25627 1 1101 . 1 1 90 90 TYR CE2 C 13 118.663 0.053 . 1 . . . A 86 TYR CE2 . 25627 1 1102 . 1 1 90 90 TYR N N 15 126.214 0.056 . 1 . . . A 86 TYR N . 25627 1 1103 . 1 1 91 91 VAL H H 1 8.133 0.010 . 1 . . . A 87 VAL H . 25627 1 1104 . 1 1 91 91 VAL HA H 1 4.196 0.007 . 1 . . . A 87 VAL HA . 25627 1 1105 . 1 1 91 91 VAL HB H 1 1.915 0.005 . 1 . . . A 87 VAL HB . 25627 1 1106 . 1 1 91 91 VAL HG11 H 1 0.961 0.014 . 1 . . . A 87 VAL HG11 . 25627 1 1107 . 1 1 91 91 VAL HG12 H 1 0.961 0.014 . 1 . . . A 87 VAL HG12 . 25627 1 1108 . 1 1 91 91 VAL HG13 H 1 0.961 0.014 . 1 . . . A 87 VAL HG13 . 25627 1 1109 . 1 1 91 91 VAL HG21 H 1 0.780 0.005 . 1 . . . A 87 VAL HG21 . 25627 1 1110 . 1 1 91 91 VAL HG22 H 1 0.780 0.005 . 1 . . . A 87 VAL HG22 . 25627 1 1111 . 1 1 91 91 VAL HG23 H 1 0.780 0.005 . 1 . . . A 87 VAL HG23 . 25627 1 1112 . 1 1 91 91 VAL C C 13 174.322 0.084 . 1 . . . A 87 VAL C . 25627 1 1113 . 1 1 91 91 VAL CA C 13 61.901 0.033 . 1 . . . A 87 VAL CA . 25627 1 1114 . 1 1 91 91 VAL CB C 13 33.779 0.047 . 1 . . . A 87 VAL CB . 25627 1 1115 . 1 1 91 91 VAL CG1 C 13 21.317 0.034 . 1 . . . A 87 VAL CG1 . 25627 1 1116 . 1 1 91 91 VAL CG2 C 13 21.079 0.062 . 1 . . . A 87 VAL CG2 . 25627 1 1117 . 1 1 91 91 VAL N N 15 123.680 0.045 . 1 . . . A 87 VAL N . 25627 1 1118 . 1 1 92 92 TYR H H 1 8.603 0.009 . 1 . . . A 88 TYR H . 25627 1 1119 . 1 1 92 92 TYR HA H 1 4.265 0.010 . 1 . . . A 88 TYR HA . 25627 1 1120 . 1 1 92 92 TYR HB2 H 1 3.123 0.005 . 2 . . . A 88 TYR HB2 . 25627 1 1121 . 1 1 92 92 TYR HB3 H 1 2.644 0.006 . 2 . . . A 88 TYR HB3 . 25627 1 1122 . 1 1 92 92 TYR HD1 H 1 6.967 0.007 . 1 . . . A 88 TYR HD1 . 25627 1 1123 . 1 1 92 92 TYR HD2 H 1 6.967 0.007 . 1 . . . A 88 TYR HD2 . 25627 1 1124 . 1 1 92 92 TYR HE1 H 1 6.535 0.004 . 1 . . . A 88 TYR HE1 . 25627 1 1125 . 1 1 92 92 TYR HE2 H 1 6.535 0.004 . 1 . . . A 88 TYR HE2 . 25627 1 1126 . 1 1 92 92 TYR CA C 13 60.847 0.035 . 1 . . . A 88 TYR CA . 25627 1 1127 . 1 1 92 92 TYR CB C 13 40.319 0.059 . 1 . . . A 88 TYR CB . 25627 1 1128 . 1 1 92 92 TYR CD1 C 13 132.977 0.067 . 1 . . . A 88 TYR CD1 . 25627 1 1129 . 1 1 92 92 TYR CD2 C 13 132.977 0.067 . 1 . . . A 88 TYR CD2 . 25627 1 1130 . 1 1 92 92 TYR CE1 C 13 117.566 0.042 . 1 . . . A 88 TYR CE1 . 25627 1 1131 . 1 1 92 92 TYR CE2 C 13 117.566 0.042 . 1 . . . A 88 TYR CE2 . 25627 1 1132 . 1 1 92 92 TYR N N 15 132.073 0.031 . 1 . . . A 88 TYR N . 25627 1 stop_ save_