data_25703 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25703 _Entry.Title ; Structure of the reduced and oxidized state of the mutant D24A of yeast thioredoxin 1: insight into the mechanism for the closing of the water cavity ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-07-13 _Entry.Accession_date 2015-07-13 _Entry.Last_release_date 2015-10-26 _Entry.Original_release_date 2015-10-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Anwar Iqbal . . . . 25703 2 Adolfo Moraes . H. . . 25703 3 'Ana Paula' Valente . . . . 25703 4 Fabio Almeida . C.L. . . 25703 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' . 25703 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NMR Spectroscopy' . 25703 'Protein Hydration' . 25703 'Redox Catalytic Activity' . 25703 'Saccharomyces Cerevisiae' . 25703 Thioredoxin . 25703 'Water Cavity' . 25703 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25703 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 421 25703 '15N chemical shifts' 101 25703 '1H chemical shifts' 656 25703 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-08-09 2015-07-13 update BMRB 'update entry citation' 25703 1 . . 2015-10-26 2015-07-13 original author 'original release' 25703 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25702 'reduced form of thioredoxin 1 from Sacharomyces cerevisiae' 25703 PDB 2N5B 'BMRB Entry Tracking System' 25703 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 25703 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26482062 _Citation.Full_citation . _Citation.Title ; Structures of the reduced and oxidized state of the mutant D24A of yeast thioredoxin 1: insights into the mechanism for the closing of the water cavity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 63 _Citation.Journal_issue 4 _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 417 _Citation.Page_last 423 _Citation.Year 2015 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Anwar Iqbal . . . . 25703 1 2 Adolfo Moraes . H. . . 25703 1 3 'Ana Paula' Valente . . . . 25703 1 4 Fabio Almeida . C.L. . . 25703 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25703 _Assembly.ID 1 _Assembly.Name 'oxidized form of thioredoxin 1 from Sacharomyces cerevisiae' _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 'oxidized form of thioredoxin 1 from Sacharomyces cerevisiae' 1 $Yeast_Thioredoxin_1_Oxidized A . yes native no no . . . 25703 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Yeast_Thioredoxin_1_Oxidized _Entity.Sf_category entity _Entity.Sf_framecode Yeast_Thioredoxin_1_Oxidized _Entity.Entry_ID 25703 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Yeast_Thioredoxin_1_Oxidized _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 ; MVTQFKTASEFDSAIAQDKL VVVAFYATWCGPCKMIAPMI EKFSEQYPQADFYKLDVDEL GDVAQKNEVSAMPTLLLFKN GKEVAKVVGANPAAIKQAIA ANA ; _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 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation D24A _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11201.019 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 25703 1 2 2 VAL . 25703 1 3 3 THR . 25703 1 4 4 GLN . 25703 1 5 5 PHE . 25703 1 6 6 LYS . 25703 1 7 7 THR . 25703 1 8 8 ALA . 25703 1 9 9 SER . 25703 1 10 10 GLU . 25703 1 11 11 PHE . 25703 1 12 12 ASP . 25703 1 13 13 SER . 25703 1 14 14 ALA . 25703 1 15 15 ILE . 25703 1 16 16 ALA . 25703 1 17 17 GLN . 25703 1 18 18 ASP . 25703 1 19 19 LYS . 25703 1 20 20 LEU . 25703 1 21 21 VAL . 25703 1 22 22 VAL . 25703 1 23 23 VAL . 25703 1 24 24 ALA . 25703 1 25 25 PHE . 25703 1 26 26 TYR . 25703 1 27 27 ALA . 25703 1 28 28 THR . 25703 1 29 29 TRP . 25703 1 30 30 CYS . 25703 1 31 31 GLY . 25703 1 32 32 PRO . 25703 1 33 33 CYS . 25703 1 34 34 LYS . 25703 1 35 35 MET . 25703 1 36 36 ILE . 25703 1 37 37 ALA . 25703 1 38 38 PRO . 25703 1 39 39 MET . 25703 1 40 40 ILE . 25703 1 41 41 GLU . 25703 1 42 42 LYS . 25703 1 43 43 PHE . 25703 1 44 44 SER . 25703 1 45 45 GLU . 25703 1 46 46 GLN . 25703 1 47 47 TYR . 25703 1 48 48 PRO . 25703 1 49 49 GLN . 25703 1 50 50 ALA . 25703 1 51 51 ASP . 25703 1 52 52 PHE . 25703 1 53 53 TYR . 25703 1 54 54 LYS . 25703 1 55 55 LEU . 25703 1 56 56 ASP . 25703 1 57 57 VAL . 25703 1 58 58 ASP . 25703 1 59 59 GLU . 25703 1 60 60 LEU . 25703 1 61 61 GLY . 25703 1 62 62 ASP . 25703 1 63 63 VAL . 25703 1 64 64 ALA . 25703 1 65 65 GLN . 25703 1 66 66 LYS . 25703 1 67 67 ASN . 25703 1 68 68 GLU . 25703 1 69 69 VAL . 25703 1 70 70 SER . 25703 1 71 71 ALA . 25703 1 72 72 MET . 25703 1 73 73 PRO . 25703 1 74 74 THR . 25703 1 75 75 LEU . 25703 1 76 76 LEU . 25703 1 77 77 LEU . 25703 1 78 78 PHE . 25703 1 79 79 LYS . 25703 1 80 80 ASN . 25703 1 81 81 GLY . 25703 1 82 82 LYS . 25703 1 83 83 GLU . 25703 1 84 84 VAL . 25703 1 85 85 ALA . 25703 1 86 86 LYS . 25703 1 87 87 VAL . 25703 1 88 88 VAL . 25703 1 89 89 GLY . 25703 1 90 90 ALA . 25703 1 91 91 ASN . 25703 1 92 92 PRO . 25703 1 93 93 ALA . 25703 1 94 94 ALA . 25703 1 95 95 ILE . 25703 1 96 96 LYS . 25703 1 97 97 GLN . 25703 1 98 98 ALA . 25703 1 99 99 ILE . 25703 1 100 100 ALA . 25703 1 101 101 ALA . 25703 1 102 102 ASN . 25703 1 103 103 ALA . 25703 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25703 1 . VAL 2 2 25703 1 . THR 3 3 25703 1 . GLN 4 4 25703 1 . PHE 5 5 25703 1 . LYS 6 6 25703 1 . THR 7 7 25703 1 . ALA 8 8 25703 1 . SER 9 9 25703 1 . GLU 10 10 25703 1 . PHE 11 11 25703 1 . ASP 12 12 25703 1 . SER 13 13 25703 1 . ALA 14 14 25703 1 . ILE 15 15 25703 1 . ALA 16 16 25703 1 . GLN 17 17 25703 1 . ASP 18 18 25703 1 . LYS 19 19 25703 1 . LEU 20 20 25703 1 . VAL 21 21 25703 1 . VAL 22 22 25703 1 . VAL 23 23 25703 1 . ALA 24 24 25703 1 . PHE 25 25 25703 1 . TYR 26 26 25703 1 . ALA 27 27 25703 1 . THR 28 28 25703 1 . TRP 29 29 25703 1 . CYS 30 30 25703 1 . GLY 31 31 25703 1 . PRO 32 32 25703 1 . CYS 33 33 25703 1 . LYS 34 34 25703 1 . MET 35 35 25703 1 . ILE 36 36 25703 1 . ALA 37 37 25703 1 . PRO 38 38 25703 1 . MET 39 39 25703 1 . ILE 40 40 25703 1 . GLU 41 41 25703 1 . LYS 42 42 25703 1 . PHE 43 43 25703 1 . SER 44 44 25703 1 . GLU 45 45 25703 1 . GLN 46 46 25703 1 . TYR 47 47 25703 1 . PRO 48 48 25703 1 . GLN 49 49 25703 1 . ALA 50 50 25703 1 . ASP 51 51 25703 1 . PHE 52 52 25703 1 . TYR 53 53 25703 1 . LYS 54 54 25703 1 . LEU 55 55 25703 1 . ASP 56 56 25703 1 . VAL 57 57 25703 1 . ASP 58 58 25703 1 . GLU 59 59 25703 1 . LEU 60 60 25703 1 . GLY 61 61 25703 1 . ASP 62 62 25703 1 . VAL 63 63 25703 1 . ALA 64 64 25703 1 . GLN 65 65 25703 1 . LYS 66 66 25703 1 . ASN 67 67 25703 1 . GLU 68 68 25703 1 . VAL 69 69 25703 1 . SER 70 70 25703 1 . ALA 71 71 25703 1 . MET 72 72 25703 1 . PRO 73 73 25703 1 . THR 74 74 25703 1 . LEU 75 75 25703 1 . LEU 76 76 25703 1 . LEU 77 77 25703 1 . PHE 78 78 25703 1 . LYS 79 79 25703 1 . ASN 80 80 25703 1 . GLY 81 81 25703 1 . LYS 82 82 25703 1 . GLU 83 83 25703 1 . VAL 84 84 25703 1 . ALA 85 85 25703 1 . LYS 86 86 25703 1 . VAL 87 87 25703 1 . VAL 88 88 25703 1 . GLY 89 89 25703 1 . ALA 90 90 25703 1 . ASN 91 91 25703 1 . PRO 92 92 25703 1 . ALA 93 93 25703 1 . ALA 94 94 25703 1 . ILE 95 95 25703 1 . LYS 96 96 25703 1 . GLN 97 97 25703 1 . ALA 98 98 25703 1 . ILE 99 99 25703 1 . ALA 100 100 25703 1 . ALA 101 101 25703 1 . ASN 102 102 25703 1 . ALA 103 103 25703 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 25703 _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 $Yeast_Thioredoxin_1_Oxidized . . 'SACCHAROMYCES CEREVISIAE' . 'SACCHAROMYCES CEREVISIAE' "baker's yeast" . . Eukaryota Fungi SACCHAROMYCES CEREVISIAE . . . . . . . . . . . . . 25703 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 25703 _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 $Yeast_Thioredoxin_1_Oxidized . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . PET17B . . . 25703 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_D24A_oxidized _Sample.Sf_category sample _Sample.Sf_framecode D24A_oxidized _Sample.Entry_ID 25703 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details NMR _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 yTrx1D24A '[U-100% 13C; U-100% 15N]' . . 1 $Yeast_Thioredoxin_1_Oxidized . . 850 . . uM . . . . 25703 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25703 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25703 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 25703 _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' 0.02 . M 25703 1 pH 7 . pH 25703 1 pressure 1 . atm 25703 1 temperature 298 . K 25703 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 25703 _Software.ID 1 _Software.Name ARIA _Software.Version aria2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25703 1 "Linge, O'Donoghue and Nilges" . . 25703 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25703 1 'structure solution' 25703 1 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 25703 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25703 _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 . 600 . . . 25703 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 25703 _Experiment_list.ID 1 _Experiment_list.Details 'TORSION ANGLE SIMULATED ANNEALING' 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 $D24A_oxidized isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25703 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $D24A_oxidized isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25703 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $D24A_oxidized isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25703 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $D24A_oxidized isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25703 1 5 '3D HCCH-COSY' no . . . . . . . . . . 1 $D24A_oxidized isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25703 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $D24A_oxidized isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25703 1 7 '3D HNCO' no . . . . . . . . . . 1 $D24A_oxidized isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25703 1 8 '3D HNCACB' no . . . . . . . . . . 1 $D24A_oxidized isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25703 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $D24A_oxidized isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25703 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $D24A_oxidized isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25703 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $D24A_oxidized isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25703 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $D24A_oxidized isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25703 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 25703 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25703 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25703 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25703 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 25703 _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' . . . 25703 1 2 '2D 1H-13C HSQC aliphatic' . . . 25703 1 3 '2D 1H-13C HSQC aromatic' . . . 25703 1 4 '3D HCCH-TOCSY' . . . 25703 1 5 '3D HCCH-COSY' . . . 25703 1 6 '3D CBCA(CO)NH' . . . 25703 1 7 '3D HNCO' . . . 25703 1 8 '3D HNCACB' . . . 25703 1 9 '3D HBHA(CO)NH' . . . 25703 1 10 '3D 1H-13C NOESY' . . . 25703 1 11 '3D 1H-15N NOESY' . . . 25703 1 12 '3D 1H-13C NOESY aromatic' . . . 25703 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.069 0.015 . 1 . . . A 1 MET HA . 25703 1 2 . 1 1 1 1 MET HB3 H 1 2.043 0.041 . 1 . . . A 1 MET HB3 . 25703 1 3 . 1 1 1 1 MET HG2 H 1 2.400 0.009 . 2 . . . A 1 MET HG2 . 25703 1 4 . 1 1 1 1 MET HG3 H 1 2.344 0.001 . 2 . . . A 1 MET HG3 . 25703 1 5 . 1 1 1 1 MET C C 13 170.824 0.000 . 1 . . . A 1 MET C . 25703 1 6 . 1 1 1 1 MET CA C 13 55.416 0.159 . 1 . . . A 1 MET CA . 25703 1 7 . 1 1 1 1 MET CB C 13 33.331 0.003 . 1 . . . A 1 MET CB . 25703 1 8 . 1 1 1 1 MET CG C 13 30.994 0.037 . 1 . . . A 1 MET CG . 25703 1 9 . 1 1 2 2 VAL H H 1 8.576 0.012 . 1 . . . A 2 VAL H . 25703 1 10 . 1 1 2 2 VAL HA H 1 4.054 0.012 . 1 . . . A 2 VAL HA . 25703 1 11 . 1 1 2 2 VAL HB H 1 1.777 0.035 . 1 . . . A 2 VAL HB . 25703 1 12 . 1 1 2 2 VAL HG11 H 1 0.620 0.020 . 2 . . . A 2 VAL HG11 . 25703 1 13 . 1 1 2 2 VAL HG12 H 1 0.620 0.020 . 2 . . . A 2 VAL HG12 . 25703 1 14 . 1 1 2 2 VAL HG13 H 1 0.620 0.020 . 2 . . . A 2 VAL HG13 . 25703 1 15 . 1 1 2 2 VAL HG21 H 1 0.536 0.040 . 2 . . . A 2 VAL HG21 . 25703 1 16 . 1 1 2 2 VAL HG22 H 1 0.536 0.040 . 2 . . . A 2 VAL HG22 . 25703 1 17 . 1 1 2 2 VAL HG23 H 1 0.536 0.040 . 2 . . . A 2 VAL HG23 . 25703 1 18 . 1 1 2 2 VAL CA C 13 61.397 0.139 . 1 . . . A 2 VAL CA . 25703 1 19 . 1 1 2 2 VAL CB C 13 32.844 0.176 . 1 . . . A 2 VAL CB . 25703 1 20 . 1 1 2 2 VAL CG2 C 13 21.135 0.042 . 1 . . . A 2 VAL CG2 . 25703 1 21 . 1 1 2 2 VAL N N 15 125.982 0.013 . 1 . . . A 2 VAL N . 25703 1 22 . 1 1 3 3 THR H H 1 7.787 0.018 . 1 . . . A 3 THR H . 25703 1 23 . 1 1 3 3 THR HA H 1 4.120 0.023 . 1 . . . A 3 THR HA . 25703 1 24 . 1 1 3 3 THR HB H 1 3.644 0.023 . 1 . . . A 3 THR HB . 25703 1 25 . 1 1 3 3 THR HG21 H 1 1.093 0.020 . 1 . . . A 3 THR HG21 . 25703 1 26 . 1 1 3 3 THR HG22 H 1 1.093 0.020 . 1 . . . A 3 THR HG22 . 25703 1 27 . 1 1 3 3 THR HG23 H 1 1.093 0.020 . 1 . . . A 3 THR HG23 . 25703 1 28 . 1 1 3 3 THR C C 13 172.671 0.000 . 1 . . . A 3 THR C . 25703 1 29 . 1 1 3 3 THR CA C 13 64.010 0.039 . 1 . . . A 3 THR CA . 25703 1 30 . 1 1 3 3 THR CB C 13 70.030 0.018 . 1 . . . A 3 THR CB . 25703 1 31 . 1 1 3 3 THR CG2 C 13 21.807 0.108 . 1 . . . A 3 THR CG2 . 25703 1 32 . 1 1 3 3 THR N N 15 126.926 0.029 . 1 . . . A 3 THR N . 25703 1 33 . 1 1 4 4 GLN H H 1 8.976 0.011 . 1 . . . A 4 GLN H . 25703 1 34 . 1 1 4 4 GLN HA H 1 4.726 0.026 . 1 . . . A 4 GLN HA . 25703 1 35 . 1 1 4 4 GLN HB2 H 1 1.732 0.003 . 1 . . . A 4 GLN HB2 . 25703 1 36 . 1 1 4 4 GLN HB3 H 1 1.752 0.029 . 1 . . . A 4 GLN HB3 . 25703 1 37 . 1 1 4 4 GLN HG2 H 1 2.310 0.024 . 1 . . . A 4 GLN HG2 . 25703 1 38 . 1 1 4 4 GLN HG3 H 1 2.342 0.021 . 1 . . . A 4 GLN HG3 . 25703 1 39 . 1 1 4 4 GLN HE21 H 1 7.164 0.004 . 1 . . . A 4 GLN HE21 . 25703 1 40 . 1 1 4 4 GLN HE22 H 1 6.561 0.007 . 1 . . . A 4 GLN HE22 . 25703 1 41 . 1 1 4 4 GLN C C 13 176.254 0.000 . 1 . . . A 4 GLN C . 25703 1 42 . 1 1 4 4 GLN CA C 13 54.925 0.013 . 1 . . . A 4 GLN CA . 25703 1 43 . 1 1 4 4 GLN CB C 13 30.039 0.049 . 1 . . . A 4 GLN CB . 25703 1 44 . 1 1 4 4 GLN CG C 13 32.821 0.124 . 1 . . . A 4 GLN CG . 25703 1 45 . 1 1 4 4 GLN N N 15 128.743 0.023 . 1 . . . A 4 GLN N . 25703 1 46 . 1 1 4 4 GLN NE2 N 15 110.531 0.021 . 1 . . . A 4 GLN NE2 . 25703 1 47 . 1 1 5 5 PHE H H 1 8.434 0.015 . 1 . . . A 5 PHE H . 25703 1 48 . 1 1 5 5 PHE HA H 1 4.793 0.013 . 1 . . . A 5 PHE HA . 25703 1 49 . 1 1 5 5 PHE HB2 H 1 2.544 0.027 . 2 . . . A 5 PHE HB2 . 25703 1 50 . 1 1 5 5 PHE HB3 H 1 3.023 0.014 . 2 . . . A 5 PHE HB3 . 25703 1 51 . 1 1 5 5 PHE HD1 H 1 7.065 0.015 . 1 . . . A 5 PHE HD1 . 25703 1 52 . 1 1 5 5 PHE HD2 H 1 7.065 0.015 . 1 . . . A 5 PHE HD2 . 25703 1 53 . 1 1 5 5 PHE HE1 H 1 6.628 0.033 . 1 . . . A 5 PHE HE1 . 25703 1 54 . 1 1 5 5 PHE HE2 H 1 6.628 0.033 . 1 . . . A 5 PHE HE2 . 25703 1 55 . 1 1 5 5 PHE HZ H 1 5.745 0.004 . 1 . . . A 5 PHE HZ . 25703 1 56 . 1 1 5 5 PHE C C 13 175.627 0.000 . 1 . . . A 5 PHE C . 25703 1 57 . 1 1 5 5 PHE CA C 13 59.080 0.089 . 1 . . . A 5 PHE CA . 25703 1 58 . 1 1 5 5 PHE CB C 13 41.083 0.035 . 1 . . . A 5 PHE CB . 25703 1 59 . 1 1 5 5 PHE CD1 C 13 129.404 0.153 . 1 . . . A 5 PHE CD1 . 25703 1 60 . 1 1 5 5 PHE CD2 C 13 129.404 0.153 . 1 . . . A 5 PHE CD2 . 25703 1 61 . 1 1 5 5 PHE CE1 C 13 131.656 0.047 . 1 . . . A 5 PHE CE1 . 25703 1 62 . 1 1 5 5 PHE CE2 C 13 131.656 0.047 . 1 . . . A 5 PHE CE2 . 25703 1 63 . 1 1 5 5 PHE CZ C 13 128.921 0.009 . 1 . . . A 5 PHE CZ . 25703 1 64 . 1 1 5 5 PHE N N 15 127.295 0.026 . 1 . . . A 5 PHE N . 25703 1 65 . 1 1 6 6 LYS H H 1 9.821 0.012 . 1 . . . A 6 LYS H . 25703 1 66 . 1 1 6 6 LYS HA H 1 4.623 0.014 . 1 . . . A 6 LYS HA . 25703 1 67 . 1 1 6 6 LYS HB2 H 1 1.989 0.020 . 2 . . . A 6 LYS HB2 . 25703 1 68 . 1 1 6 6 LYS HB3 H 1 1.948 0.024 . 2 . . . A 6 LYS HB3 . 25703 1 69 . 1 1 6 6 LYS HG2 H 1 1.544 0.039 . 2 . . . A 6 LYS HG2 . 25703 1 70 . 1 1 6 6 LYS HG3 H 1 1.608 0.034 . 2 . . . A 6 LYS HG3 . 25703 1 71 . 1 1 6 6 LYS HD2 H 1 1.661 0.016 . 2 . . . A 6 LYS HD2 . 25703 1 72 . 1 1 6 6 LYS HD3 H 1 1.639 0.000 . 2 . . . A 6 LYS HD3 . 25703 1 73 . 1 1 6 6 LYS HE3 H 1 2.945 0.004 . 1 . . . A 6 LYS HE3 . 25703 1 74 . 1 1 6 6 LYS C C 13 176.504 0.000 . 1 . . . A 6 LYS C . 25703 1 75 . 1 1 6 6 LYS CA C 13 56.526 0.029 . 1 . . . A 6 LYS CA . 25703 1 76 . 1 1 6 6 LYS CB C 13 34.660 0.059 . 1 . . . A 6 LYS CB . 25703 1 77 . 1 1 6 6 LYS CG C 13 24.985 0.102 . 1 . . . A 6 LYS CG . 25703 1 78 . 1 1 6 6 LYS CD C 13 29.588 0.084 . 1 . . . A 6 LYS CD . 25703 1 79 . 1 1 6 6 LYS CE C 13 42.721 0.000 . 1 . . . A 6 LYS CE . 25703 1 80 . 1 1 6 6 LYS N N 15 120.464 0.024 . 1 . . . A 6 LYS N . 25703 1 81 . 1 1 7 7 THR H H 1 7.467 0.011 . 1 . . . A 7 THR H . 25703 1 82 . 1 1 7 7 THR HA H 1 4.738 0.044 . 1 . . . A 7 THR HA . 25703 1 83 . 1 1 7 7 THR HB H 1 4.483 0.005 . 1 . . . A 7 THR HB . 25703 1 84 . 1 1 7 7 THR HG21 H 1 1.137 0.014 . 1 . . . A 7 THR HG21 . 25703 1 85 . 1 1 7 7 THR HG22 H 1 1.137 0.014 . 1 . . . A 7 THR HG22 . 25703 1 86 . 1 1 7 7 THR HG23 H 1 1.137 0.014 . 1 . . . A 7 THR HG23 . 25703 1 87 . 1 1 7 7 THR C C 13 173.410 0.000 . 1 . . . A 7 THR C . 25703 1 88 . 1 1 7 7 THR CA C 13 59.287 0.050 . 1 . . . A 7 THR CA . 25703 1 89 . 1 1 7 7 THR CB C 13 73.138 0.040 . 1 . . . A 7 THR CB . 25703 1 90 . 1 1 7 7 THR CG2 C 13 22.166 0.000 . 1 . . . A 7 THR CG2 . 25703 1 91 . 1 1 7 7 THR N N 15 108.286 0.012 . 1 . . . A 7 THR N . 25703 1 92 . 1 1 8 8 ALA H H 1 9.038 0.013 . 1 . . . A 8 ALA H . 25703 1 93 . 1 1 8 8 ALA HA H 1 3.705 0.017 . 1 . . . A 8 ALA HA . 25703 1 94 . 1 1 8 8 ALA HB1 H 1 1.304 0.020 . 1 . . . A 8 ALA HB1 . 25703 1 95 . 1 1 8 8 ALA HB2 H 1 1.304 0.020 . 1 . . . A 8 ALA HB2 . 25703 1 96 . 1 1 8 8 ALA HB3 H 1 1.304 0.020 . 1 . . . A 8 ALA HB3 . 25703 1 97 . 1 1 8 8 ALA C C 13 178.859 0.000 . 1 . . . A 8 ALA C . 25703 1 98 . 1 1 8 8 ALA CA C 13 55.453 0.073 . 1 . . . A 8 ALA CA . 25703 1 99 . 1 1 8 8 ALA CB C 13 18.689 0.022 . 1 . . . A 8 ALA CB . 25703 1 100 . 1 1 8 8 ALA N N 15 125.007 0.013 . 1 . . . A 8 ALA N . 25703 1 101 . 1 1 9 9 SER H H 1 8.159 0.016 . 1 . . . A 9 SER H . 25703 1 102 . 1 1 9 9 SER HA H 1 4.124 0.014 . 1 . . . A 9 SER HA . 25703 1 103 . 1 1 9 9 SER HB2 H 1 3.797 0.046 . 2 . . . A 9 SER HB2 . 25703 1 104 . 1 1 9 9 SER HB3 H 1 3.803 0.036 . 2 . . . A 9 SER HB3 . 25703 1 105 . 1 1 9 9 SER C C 13 176.575 0.000 . 1 . . . A 9 SER C . 25703 1 106 . 1 1 9 9 SER CA C 13 61.528 0.042 . 1 . . . A 9 SER CA . 25703 1 107 . 1 1 9 9 SER CB C 13 62.703 0.114 . 1 . . . A 9 SER CB . 25703 1 108 . 1 1 9 9 SER N N 15 113.408 0.039 . 1 . . . A 9 SER N . 25703 1 109 . 1 1 10 10 GLU H H 1 7.552 0.024 . 1 . . . A 10 GLU H . 25703 1 110 . 1 1 10 10 GLU HA H 1 3.853 0.011 . 1 . . . A 10 GLU HA . 25703 1 111 . 1 1 10 10 GLU HB2 H 1 2.387 0.089 . 2 . . . A 10 GLU HB2 . 25703 1 112 . 1 1 10 10 GLU HB3 H 1 2.386 0.090 . 2 . . . A 10 GLU HB3 . 25703 1 113 . 1 1 10 10 GLU HG2 H 1 2.486 0.010 . 2 . . . A 10 GLU HG2 . 25703 1 114 . 1 1 10 10 GLU HG3 H 1 2.479 0.014 . 2 . . . A 10 GLU HG3 . 25703 1 115 . 1 1 10 10 GLU C C 13 178.294 0.000 . 1 . . . A 10 GLU C . 25703 1 116 . 1 1 10 10 GLU CA C 13 59.266 0.114 . 1 . . . A 10 GLU CA . 25703 1 117 . 1 1 10 10 GLU CB C 13 31.536 0.096 . 1 . . . A 10 GLU CB . 25703 1 118 . 1 1 10 10 GLU CG C 13 32.680 0.073 . 1 . . . A 10 GLU CG . 25703 1 119 . 1 1 10 10 GLU N N 15 123.005 0.015 . 1 . . . A 10 GLU N . 25703 1 120 . 1 1 11 11 PHE H H 1 6.632 0.014 . 1 . . . A 11 PHE H . 25703 1 121 . 1 1 11 11 PHE HA H 1 2.864 0.013 . 1 . . . A 11 PHE HA . 25703 1 122 . 1 1 11 11 PHE HB2 H 1 1.504 0.011 . 2 . . . A 11 PHE HB2 . 25703 1 123 . 1 1 11 11 PHE HB3 H 1 2.905 0.016 . 2 . . . A 11 PHE HB3 . 25703 1 124 . 1 1 11 11 PHE HD1 H 1 6.670 0.040 . 1 . . . A 11 PHE HD1 . 25703 1 125 . 1 1 11 11 PHE HD2 H 1 6.670 0.040 . 1 . . . A 11 PHE HD2 . 25703 1 126 . 1 1 11 11 PHE HE1 H 1 6.977 0.000 . 1 . . . A 11 PHE HE1 . 25703 1 127 . 1 1 11 11 PHE HE2 H 1 6.977 0.000 . 1 . . . A 11 PHE HE2 . 25703 1 128 . 1 1 11 11 PHE C C 13 176.786 0.000 . 1 . . . A 11 PHE C . 25703 1 129 . 1 1 11 11 PHE CA C 13 61.182 0.030 . 1 . . . A 11 PHE CA . 25703 1 130 . 1 1 11 11 PHE CB C 13 38.202 0.071 . 1 . . . A 11 PHE CB . 25703 1 131 . 1 1 11 11 PHE CD1 C 13 132.336 0.093 . 1 . . . A 11 PHE CD1 . 25703 1 132 . 1 1 11 11 PHE CD2 C 13 132.336 0.093 . 1 . . . A 11 PHE CD2 . 25703 1 133 . 1 1 11 11 PHE CE1 C 13 131.127 0.000 . 1 . . . A 11 PHE CE1 . 25703 1 134 . 1 1 11 11 PHE CE2 C 13 131.127 0.000 . 1 . . . A 11 PHE CE2 . 25703 1 135 . 1 1 11 11 PHE N N 15 121.633 0.021 . 1 . . . A 11 PHE N . 25703 1 136 . 1 1 12 12 ASP H H 1 7.687 0.022 . 1 . . . A 12 ASP H . 25703 1 137 . 1 1 12 12 ASP HA H 1 3.841 0.008 . 1 . . . A 12 ASP HA . 25703 1 138 . 1 1 12 12 ASP HB2 H 1 2.462 0.027 . 2 . . . A 12 ASP HB2 . 25703 1 139 . 1 1 12 12 ASP HB3 H 1 2.474 0.019 . 2 . . . A 12 ASP HB3 . 25703 1 140 . 1 1 12 12 ASP C C 13 178.286 0.000 . 1 . . . A 12 ASP C . 25703 1 141 . 1 1 12 12 ASP CA C 13 57.547 0.074 . 1 . . . A 12 ASP CA . 25703 1 142 . 1 1 12 12 ASP CB C 13 40.790 0.023 . 1 . . . A 12 ASP CB . 25703 1 143 . 1 1 12 12 ASP N N 15 118.991 0.015 . 1 . . . A 12 ASP N . 25703 1 144 . 1 1 13 13 SER H H 1 7.563 0.018 . 1 . . . A 13 SER H . 25703 1 145 . 1 1 13 13 SER HA H 1 4.022 0.015 . 1 . . . A 13 SER HA . 25703 1 146 . 1 1 13 13 SER HB2 H 1 4.008 0.001 . 2 . . . A 13 SER HB2 . 25703 1 147 . 1 1 13 13 SER HB3 H 1 3.728 0.012 . 2 . . . A 13 SER HB3 . 25703 1 148 . 1 1 13 13 SER C C 13 175.827 0.000 . 1 . . . A 13 SER C . 25703 1 149 . 1 1 13 13 SER CA C 13 61.410 0.089 . 1 . . . A 13 SER CA . 25703 1 150 . 1 1 13 13 SER CB C 13 63.499 0.040 . 1 . . . A 13 SER CB . 25703 1 151 . 1 1 13 13 SER N N 15 112.966 0.046 . 1 . . . A 13 SER N . 25703 1 152 . 1 1 14 14 ALA H H 1 7.671 0.019 . 1 . . . A 14 ALA H . 25703 1 153 . 1 1 14 14 ALA HA H 1 4.025 0.021 . 1 . . . A 14 ALA HA . 25703 1 154 . 1 1 14 14 ALA HB1 H 1 1.101 0.015 . 1 . . . A 14 ALA HB1 . 25703 1 155 . 1 1 14 14 ALA HB2 H 1 1.101 0.015 . 1 . . . A 14 ALA HB2 . 25703 1 156 . 1 1 14 14 ALA HB3 H 1 1.101 0.015 . 1 . . . A 14 ALA HB3 . 25703 1 157 . 1 1 14 14 ALA C C 13 179.909 0.000 . 1 . . . A 14 ALA C . 25703 1 158 . 1 1 14 14 ALA CA C 13 54.710 0.060 . 1 . . . A 14 ALA CA . 25703 1 159 . 1 1 14 14 ALA CB C 13 19.286 0.034 . 1 . . . A 14 ALA CB . 25703 1 160 . 1 1 14 14 ALA N N 15 124.823 0.028 . 1 . . . A 14 ALA N . 25703 1 161 . 1 1 15 15 ILE H H 1 7.195 0.025 . 1 . . . A 15 ILE H . 25703 1 162 . 1 1 15 15 ILE HA H 1 3.721 0.014 . 1 . . . A 15 ILE HA . 25703 1 163 . 1 1 15 15 ILE HB H 1 1.041 0.007 . 1 . . . A 15 ILE HB . 25703 1 164 . 1 1 15 15 ILE HG12 H 1 0.597 0.020 . 2 . . . A 15 ILE HG12 . 25703 1 165 . 1 1 15 15 ILE HG13 H 1 0.622 0.023 . 2 . . . A 15 ILE HG13 . 25703 1 166 . 1 1 15 15 ILE HG21 H 1 0.660 0.009 . 1 . . . A 15 ILE HG21 . 25703 1 167 . 1 1 15 15 ILE HG22 H 1 0.660 0.009 . 1 . . . A 15 ILE HG22 . 25703 1 168 . 1 1 15 15 ILE HG23 H 1 0.660 0.009 . 1 . . . A 15 ILE HG23 . 25703 1 169 . 1 1 15 15 ILE HD11 H 1 0.057 0.007 . 1 . . . A 15 ILE HD11 . 25703 1 170 . 1 1 15 15 ILE HD12 H 1 0.057 0.007 . 1 . . . A 15 ILE HD12 . 25703 1 171 . 1 1 15 15 ILE HD13 H 1 0.057 0.007 . 1 . . . A 15 ILE HD13 . 25703 1 172 . 1 1 15 15 ILE C C 13 175.512 0.000 . 1 . . . A 15 ILE C . 25703 1 173 . 1 1 15 15 ILE CA C 13 64.058 0.031 . 1 . . . A 15 ILE CA . 25703 1 174 . 1 1 15 15 ILE CB C 13 38.277 0.036 . 1 . . . A 15 ILE CB . 25703 1 175 . 1 1 15 15 ILE CG1 C 13 25.653 0.116 . 1 . . . A 15 ILE CG1 . 25703 1 176 . 1 1 15 15 ILE CG2 C 13 17.451 0.019 . 1 . . . A 15 ILE CG2 . 25703 1 177 . 1 1 15 15 ILE CD1 C 13 15.443 0.067 . 1 . . . A 15 ILE CD1 . 25703 1 178 . 1 1 15 15 ILE N N 15 108.002 0.012 . 1 . . . A 15 ILE N . 25703 1 179 . 1 1 16 16 ALA H H 1 6.623 0.010 . 1 . . . A 16 ALA H . 25703 1 180 . 1 1 16 16 ALA HA H 1 4.013 0.012 . 1 . . . A 16 ALA HA . 25703 1 181 . 1 1 16 16 ALA HB1 H 1 1.285 0.009 . 1 . . . A 16 ALA HB1 . 25703 1 182 . 1 1 16 16 ALA HB2 H 1 1.285 0.009 . 1 . . . A 16 ALA HB2 . 25703 1 183 . 1 1 16 16 ALA HB3 H 1 1.285 0.009 . 1 . . . A 16 ALA HB3 . 25703 1 184 . 1 1 16 16 ALA C C 13 176.636 0.000 . 1 . . . A 16 ALA C . 25703 1 185 . 1 1 16 16 ALA CA C 13 52.318 0.056 . 1 . . . A 16 ALA CA . 25703 1 186 . 1 1 16 16 ALA CB C 13 18.956 0.061 . 1 . . . A 16 ALA CB . 25703 1 187 . 1 1 16 16 ALA N N 15 123.051 0.040 . 1 . . . A 16 ALA N . 25703 1 188 . 1 1 17 17 GLN H H 1 7.140 0.015 . 1 . . . A 17 GLN H . 25703 1 189 . 1 1 17 17 GLN HA H 1 4.198 0.008 . 1 . . . A 17 GLN HA . 25703 1 190 . 1 1 17 17 GLN HB2 H 1 1.782 0.020 . 2 . . . A 17 GLN HB2 . 25703 1 191 . 1 1 17 17 GLN HB3 H 1 1.780 0.023 . 2 . . . A 17 GLN HB3 . 25703 1 192 . 1 1 17 17 GLN HG2 H 1 2.115 0.040 . 2 . . . A 17 GLN HG2 . 25703 1 193 . 1 1 17 17 GLN HG3 H 1 2.632 0.010 . 2 . . . A 17 GLN HG3 . 25703 1 194 . 1 1 17 17 GLN C C 13 174.965 0.000 . 1 . . . A 17 GLN C . 25703 1 195 . 1 1 17 17 GLN CA C 13 56.422 0.033 . 1 . . . A 17 GLN CA . 25703 1 196 . 1 1 17 17 GLN CB C 13 34.338 0.049 . 1 . . . A 17 GLN CB . 25703 1 197 . 1 1 17 17 GLN CG C 13 35.649 0.207 . 1 . . . A 17 GLN CG . 25703 1 198 . 1 1 17 17 GLN N N 15 116.236 0.009 . 1 . . . A 17 GLN N . 25703 1 199 . 1 1 18 18 ASP H H 1 8.651 0.016 . 1 . . . A 18 ASP H . 25703 1 200 . 1 1 18 18 ASP HA H 1 4.998 0.000 . 1 . . . A 18 ASP HA . 25703 1 201 . 1 1 18 18 ASP HB2 H 1 2.443 0.018 . 2 . . . A 18 ASP HB2 . 25703 1 202 . 1 1 18 18 ASP HB3 H 1 2.660 0.013 . 2 . . . A 18 ASP HB3 . 25703 1 203 . 1 1 18 18 ASP C C 13 174.817 0.000 . 1 . . . A 18 ASP C . 25703 1 204 . 1 1 18 18 ASP CB C 13 39.414 0.047 . 1 . . . A 18 ASP CB . 25703 1 205 . 1 1 18 18 ASP N N 15 123.905 0.022 . 1 . . . A 18 ASP N . 25703 1 206 . 1 1 19 19 LYS H H 1 7.950 0.010 . 1 . . . A 19 LYS H . 25703 1 207 . 1 1 19 19 LYS HA H 1 4.384 0.009 . 1 . . . A 19 LYS HA . 25703 1 208 . 1 1 19 19 LYS HB3 H 1 1.764 0.002 . 1 . . . A 19 LYS HB3 . 25703 1 209 . 1 1 19 19 LYS HG2 H 1 1.197 0.018 . 2 . . . A 19 LYS HG2 . 25703 1 210 . 1 1 19 19 LYS HG3 H 1 1.210 0.016 . 2 . . . A 19 LYS HG3 . 25703 1 211 . 1 1 19 19 LYS HD2 H 1 1.478 0.014 . 2 . . . A 19 LYS HD2 . 25703 1 212 . 1 1 19 19 LYS HD3 H 1 1.479 0.017 . 2 . . . A 19 LYS HD3 . 25703 1 213 . 1 1 19 19 LYS HE3 H 1 2.792 0.031 . 1 . . . A 19 LYS HE3 . 25703 1 214 . 1 1 19 19 LYS C C 13 172.740 0.000 . 1 . . . A 19 LYS C . 25703 1 215 . 1 1 19 19 LYS CA C 13 55.163 0.087 . 1 . . . A 19 LYS CA . 25703 1 216 . 1 1 19 19 LYS CB C 13 34.721 0.034 . 1 . . . A 19 LYS CB . 25703 1 217 . 1 1 19 19 LYS CG C 13 23.390 0.054 . 1 . . . A 19 LYS CG . 25703 1 218 . 1 1 19 19 LYS CD C 13 28.763 0.000 . 1 . . . A 19 LYS CD . 25703 1 219 . 1 1 19 19 LYS CE C 13 41.036 0.143 . 1 . . . A 19 LYS CE . 25703 1 220 . 1 1 19 19 LYS N N 15 119.499 0.020 . 1 . . . A 19 LYS N . 25703 1 221 . 1 1 20 20 LEU H H 1 8.641 0.018 . 1 . . . A 20 LEU H . 25703 1 222 . 1 1 20 20 LEU HA H 1 4.972 0.112 . 1 . . . A 20 LEU HA . 25703 1 223 . 1 1 20 20 LEU HB2 H 1 1.284 0.001 . 2 . . . A 20 LEU HB2 . 25703 1 224 . 1 1 20 20 LEU HB3 H 1 1.797 0.014 . 2 . . . A 20 LEU HB3 . 25703 1 225 . 1 1 20 20 LEU HG H 1 1.228 0.019 . 1 . . . A 20 LEU HG . 25703 1 226 . 1 1 20 20 LEU HD11 H 1 0.699 0.031 . 2 . . . A 20 LEU HD11 . 25703 1 227 . 1 1 20 20 LEU HD12 H 1 0.699 0.031 . 2 . . . A 20 LEU HD12 . 25703 1 228 . 1 1 20 20 LEU HD13 H 1 0.699 0.031 . 2 . . . A 20 LEU HD13 . 25703 1 229 . 1 1 20 20 LEU HD21 H 1 0.538 0.035 . 2 . . . A 20 LEU HD21 . 25703 1 230 . 1 1 20 20 LEU HD22 H 1 0.538 0.035 . 2 . . . A 20 LEU HD22 . 25703 1 231 . 1 1 20 20 LEU HD23 H 1 0.538 0.035 . 2 . . . A 20 LEU HD23 . 25703 1 232 . 1 1 20 20 LEU C C 13 173.937 0.000 . 1 . . . A 20 LEU C . 25703 1 233 . 1 1 20 20 LEU CA C 13 57.132 0.874 . 1 . . . A 20 LEU CA . 25703 1 234 . 1 1 20 20 LEU CB C 13 42.012 0.036 . 1 . . . A 20 LEU CB . 25703 1 235 . 1 1 20 20 LEU CG C 13 27.462 0.051 . 1 . . . A 20 LEU CG . 25703 1 236 . 1 1 20 20 LEU CD1 C 13 21.863 0.060 . 2 . . . A 20 LEU CD1 . 25703 1 237 . 1 1 20 20 LEU CD2 C 13 23.194 0.000 . 2 . . . A 20 LEU CD2 . 25703 1 238 . 1 1 20 20 LEU N N 15 121.877 0.038 . 1 . . . A 20 LEU N . 25703 1 239 . 1 1 21 21 VAL H H 1 9.263 0.010 . 1 . . . A 21 VAL H . 25703 1 240 . 1 1 21 21 VAL HA H 1 4.439 0.025 . 1 . . . A 21 VAL HA . 25703 1 241 . 1 1 21 21 VAL HB H 1 1.991 0.039 . 1 . . . A 21 VAL HB . 25703 1 242 . 1 1 21 21 VAL HG11 H 1 1.048 0.022 . 2 . . . A 21 VAL HG11 . 25703 1 243 . 1 1 21 21 VAL HG12 H 1 1.048 0.022 . 2 . . . A 21 VAL HG12 . 25703 1 244 . 1 1 21 21 VAL HG13 H 1 1.048 0.022 . 2 . . . A 21 VAL HG13 . 25703 1 245 . 1 1 21 21 VAL HG21 H 1 0.536 0.000 . 2 . . . A 21 VAL HG21 . 25703 1 246 . 1 1 21 21 VAL HG22 H 1 0.536 0.000 . 2 . . . A 21 VAL HG22 . 25703 1 247 . 1 1 21 21 VAL HG23 H 1 0.536 0.000 . 2 . . . A 21 VAL HG23 . 25703 1 248 . 1 1 21 21 VAL C C 13 173.493 0.000 . 1 . . . A 21 VAL C . 25703 1 249 . 1 1 21 21 VAL CA C 13 62.510 0.056 . 1 . . . A 21 VAL CA . 25703 1 250 . 1 1 21 21 VAL CB C 13 34.732 0.155 . 1 . . . A 21 VAL CB . 25703 1 251 . 1 1 21 21 VAL CG1 C 13 21.482 0.013 . 1 . . . A 21 VAL CG1 . 25703 1 252 . 1 1 21 21 VAL N N 15 129.812 0.027 . 1 . . . A 21 VAL N . 25703 1 253 . 1 1 22 22 VAL H H 1 9.006 0.021 . 1 . . . A 22 VAL H . 25703 1 254 . 1 1 22 22 VAL HA H 1 4.408 0.012 . 1 . . . A 22 VAL HA . 25703 1 255 . 1 1 22 22 VAL HB H 1 1.263 0.017 . 1 . . . A 22 VAL HB . 25703 1 256 . 1 1 22 22 VAL HG11 H 1 0.111 0.018 . 2 . . . A 22 VAL HG11 . 25703 1 257 . 1 1 22 22 VAL HG12 H 1 0.111 0.018 . 2 . . . A 22 VAL HG12 . 25703 1 258 . 1 1 22 22 VAL HG13 H 1 0.111 0.018 . 2 . . . A 22 VAL HG13 . 25703 1 259 . 1 1 22 22 VAL HG21 H 1 0.640 0.023 . 2 . . . A 22 VAL HG21 . 25703 1 260 . 1 1 22 22 VAL HG22 H 1 0.640 0.023 . 2 . . . A 22 VAL HG22 . 25703 1 261 . 1 1 22 22 VAL HG23 H 1 0.640 0.023 . 2 . . . A 22 VAL HG23 . 25703 1 262 . 1 1 22 22 VAL C C 13 174.331 0.000 . 1 . . . A 22 VAL C . 25703 1 263 . 1 1 22 22 VAL CA C 13 61.561 0.083 . 1 . . . A 22 VAL CA . 25703 1 264 . 1 1 22 22 VAL CB C 13 33.630 0.020 . 1 . . . A 22 VAL CB . 25703 1 265 . 1 1 22 22 VAL CG1 C 13 20.405 0.111 . 2 . . . A 22 VAL CG1 . 25703 1 266 . 1 1 22 22 VAL CG2 C 13 21.614 0.067 . 2 . . . A 22 VAL CG2 . 25703 1 267 . 1 1 22 22 VAL N N 15 131.684 0.017 . 1 . . . A 22 VAL N . 25703 1 268 . 1 1 23 23 VAL H H 1 9.551 0.028 . 1 . . . A 23 VAL H . 25703 1 269 . 1 1 23 23 VAL HA H 1 4.422 0.005 . 1 . . . A 23 VAL HA . 25703 1 270 . 1 1 23 23 VAL HB H 1 2.405 0.032 . 1 . . . A 23 VAL HB . 25703 1 271 . 1 1 23 23 VAL HG11 H 1 0.631 0.003 . 2 . . . A 23 VAL HG11 . 25703 1 272 . 1 1 23 23 VAL HG12 H 1 0.631 0.003 . 2 . . . A 23 VAL HG12 . 25703 1 273 . 1 1 23 23 VAL HG13 H 1 0.631 0.003 . 2 . . . A 23 VAL HG13 . 25703 1 274 . 1 1 23 23 VAL HG21 H 1 1.094 0.021 . 2 . . . A 23 VAL HG21 . 25703 1 275 . 1 1 23 23 VAL HG22 H 1 1.094 0.021 . 2 . . . A 23 VAL HG22 . 25703 1 276 . 1 1 23 23 VAL HG23 H 1 1.094 0.021 . 2 . . . A 23 VAL HG23 . 25703 1 277 . 1 1 23 23 VAL C C 13 174.342 0.000 . 1 . . . A 23 VAL C . 25703 1 278 . 1 1 23 23 VAL CA C 13 61.672 0.129 . 1 . . . A 23 VAL CA . 25703 1 279 . 1 1 23 23 VAL CB C 13 34.042 0.044 . 1 . . . A 23 VAL CB . 25703 1 280 . 1 1 23 23 VAL CG1 C 13 22.446 0.019 . 2 . . . A 23 VAL CG1 . 25703 1 281 . 1 1 23 23 VAL CG2 C 13 19.325 0.049 . 2 . . . A 23 VAL CG2 . 25703 1 282 . 1 1 23 23 VAL N N 15 126.475 0.019 . 1 . . . A 23 VAL N . 25703 1 283 . 1 1 24 24 ALA H H 1 8.991 0.016 . 1 . . . A 24 ALA H . 25703 1 284 . 1 1 24 24 ALA HA H 1 4.953 0.011 . 1 . . . A 24 ALA HA . 25703 1 285 . 1 1 24 24 ALA HB1 H 1 1.238 0.013 . 1 . . . A 24 ALA HB1 . 25703 1 286 . 1 1 24 24 ALA HB2 H 1 1.238 0.013 . 1 . . . A 24 ALA HB2 . 25703 1 287 . 1 1 24 24 ALA HB3 H 1 1.238 0.013 . 1 . . . A 24 ALA HB3 . 25703 1 288 . 1 1 24 24 ALA C C 13 174.683 0.000 . 1 . . . A 24 ALA C . 25703 1 289 . 1 1 24 24 ALA CA C 13 51.712 0.043 . 1 . . . A 24 ALA CA . 25703 1 290 . 1 1 24 24 ALA CB C 13 20.149 0.052 . 1 . . . A 24 ALA CB . 25703 1 291 . 1 1 24 24 ALA N N 15 131.649 0.106 . 1 . . . A 24 ALA N . 25703 1 292 . 1 1 25 25 PHE H H 1 9.231 0.020 . 1 . . . A 25 PHE H . 25703 1 293 . 1 1 25 25 PHE HA H 1 5.002 0.014 . 1 . . . A 25 PHE HA . 25703 1 294 . 1 1 25 25 PHE HB2 H 1 2.546 0.019 . 2 . . . A 25 PHE HB2 . 25703 1 295 . 1 1 25 25 PHE HB3 H 1 3.303 0.016 . 2 . . . A 25 PHE HB3 . 25703 1 296 . 1 1 25 25 PHE HD1 H 1 7.275 0.012 . 1 . . . A 25 PHE HD1 . 25703 1 297 . 1 1 25 25 PHE HD2 H 1 7.275 0.012 . 1 . . . A 25 PHE HD2 . 25703 1 298 . 1 1 25 25 PHE HE1 H 1 6.778 0.000 . 1 . . . A 25 PHE HE1 . 25703 1 299 . 1 1 25 25 PHE HE2 H 1 6.778 0.000 . 1 . . . A 25 PHE HE2 . 25703 1 300 . 1 1 25 25 PHE C C 13 174.231 0.000 . 1 . . . A 25 PHE C . 25703 1 301 . 1 1 25 25 PHE CA C 13 58.196 0.063 . 1 . . . A 25 PHE CA . 25703 1 302 . 1 1 25 25 PHE CB C 13 40.231 0.042 . 1 . . . A 25 PHE CB . 25703 1 303 . 1 1 25 25 PHE CD1 C 13 132.375 0.000 . 1 . . . A 25 PHE CD1 . 25703 1 304 . 1 1 25 25 PHE CD2 C 13 132.375 0.000 . 1 . . . A 25 PHE CD2 . 25703 1 305 . 1 1 25 25 PHE CE1 C 13 132.519 0.000 . 1 . . . A 25 PHE CE1 . 25703 1 306 . 1 1 25 25 PHE CE2 C 13 132.519 0.000 . 1 . . . A 25 PHE CE2 . 25703 1 307 . 1 1 25 25 PHE N N 15 124.535 0.076 . 1 . . . A 25 PHE N . 25703 1 308 . 1 1 26 26 TYR H H 1 8.869 0.013 . 1 . . . A 26 TYR H . 25703 1 309 . 1 1 26 26 TYR HA H 1 5.112 0.002 . 1 . . . A 26 TYR HA . 25703 1 310 . 1 1 26 26 TYR HB2 H 1 2.669 0.034 . 2 . . . A 26 TYR HB2 . 25703 1 311 . 1 1 26 26 TYR HB3 H 1 2.803 0.022 . 2 . . . A 26 TYR HB3 . 25703 1 312 . 1 1 26 26 TYR HD1 H 1 6.745 0.017 . 1 . . . A 26 TYR HD1 . 25703 1 313 . 1 1 26 26 TYR HD2 H 1 6.745 0.017 . 1 . . . A 26 TYR HD2 . 25703 1 314 . 1 1 26 26 TYR HE1 H 1 6.374 0.014 . 1 . . . A 26 TYR HE1 . 25703 1 315 . 1 1 26 26 TYR HE2 H 1 6.374 0.014 . 1 . . . A 26 TYR HE2 . 25703 1 316 . 1 1 26 26 TYR C C 13 170.727 0.000 . 1 . . . A 26 TYR C . 25703 1 317 . 1 1 26 26 TYR CA C 13 55.240 0.078 . 1 . . . A 26 TYR CA . 25703 1 318 . 1 1 26 26 TYR CB C 13 43.023 0.044 . 1 . . . A 26 TYR CB . 25703 1 319 . 1 1 26 26 TYR CD1 C 13 132.554 0.000 . 1 . . . A 26 TYR CD1 . 25703 1 320 . 1 1 26 26 TYR CD2 C 13 132.554 0.000 . 1 . . . A 26 TYR CD2 . 25703 1 321 . 1 1 26 26 TYR CE1 C 13 117.707 0.044 . 1 . . . A 26 TYR CE1 . 25703 1 322 . 1 1 26 26 TYR CE2 C 13 117.707 0.044 . 1 . . . A 26 TYR CE2 . 25703 1 323 . 1 1 26 26 TYR N N 15 121.986 0.026 . 1 . . . A 26 TYR N . 25703 1 324 . 1 1 27 27 ALA H H 1 6.235 0.010 . 1 . . . A 27 ALA H . 25703 1 325 . 1 1 27 27 ALA HA H 1 4.329 0.009 . 1 . . . A 27 ALA HA . 25703 1 326 . 1 1 27 27 ALA HB1 H 1 0.21 0.010 . 1 . . . A 27 ALA HB1 . 25703 1 327 . 1 1 27 27 ALA HB2 H 1 0.21 0.010 . 1 . . . A 27 ALA HB2 . 25703 1 328 . 1 1 27 27 ALA HB3 H 1 0.21 0.010 . 1 . . . A 27 ALA HB3 . 25703 1 329 . 1 1 27 27 ALA C C 13 178.755 0.000 . 1 . . . A 27 ALA C . 25703 1 330 . 1 1 27 27 ALA CA C 13 50.966 0.078 . 1 . . . A 27 ALA CA . 25703 1 331 . 1 1 27 27 ALA CB C 13 22.735 0.037 . 1 . . . A 27 ALA CB . 25703 1 332 . 1 1 27 27 ALA N N 15 117.474 0.011 . 1 . . . A 27 ALA N . 25703 1 333 . 1 1 28 28 THR H H 1 10.381 0.012 . 1 . . . A 28 THR H . 25703 1 334 . 1 1 28 28 THR HA H 1 3.907 0.010 . 1 . . . A 28 THR HA . 25703 1 335 . 1 1 28 28 THR HB H 1 4.213 0.068 . 1 . . . A 28 THR HB . 25703 1 336 . 1 1 28 28 THR HG21 H 1 1.353 0.025 . 1 . . . A 28 THR HG21 . 25703 1 337 . 1 1 28 28 THR HG22 H 1 1.353 0.025 . 1 . . . A 28 THR HG22 . 25703 1 338 . 1 1 28 28 THR HG23 H 1 1.353 0.025 . 1 . . . A 28 THR HG23 . 25703 1 339 . 1 1 28 28 THR C C 13 174.360 0.000 . 1 . . . A 28 THR C . 25703 1 340 . 1 1 28 28 THR CA C 13 65.865 0.021 . 1 . . . A 28 THR CA . 25703 1 341 . 1 1 28 28 THR CB C 13 69.336 0.018 . 1 . . . A 28 THR CB . 25703 1 342 . 1 1 28 28 THR CG2 C 13 18.653 0.236 . 1 . . . A 28 THR CG2 . 25703 1 343 . 1 1 28 28 THR N N 15 119.624 0.038 . 1 . . . A 28 THR N . 25703 1 344 . 1 1 29 29 TRP H H 1 6.472 0.010 . 1 . . . A 29 TRP H . 25703 1 345 . 1 1 29 29 TRP HA H 1 4.590 0.004 . 1 . . . A 29 TRP HA . 25703 1 346 . 1 1 29 29 TRP HB2 H 1 3.123 0.015 . 2 . . . A 29 TRP HB2 . 25703 1 347 . 1 1 29 29 TRP HB3 H 1 3.645 0.007 . 2 . . . A 29 TRP HB3 . 25703 1 348 . 1 1 29 29 TRP HD1 H 1 7.296 0.021 . 1 . . . A 29 TRP HD1 . 25703 1 349 . 1 1 29 29 TRP HE1 H 1 11.362 0.012 . 1 . . . A 29 TRP HE1 . 25703 1 350 . 1 1 29 29 TRP HE3 H 1 7.043 0.000 . 1 . . . A 29 TRP HE3 . 25703 1 351 . 1 1 29 29 TRP HZ2 H 1 7.360 0.004 . 1 . . . A 29 TRP HZ2 . 25703 1 352 . 1 1 29 29 TRP HZ3 H 1 7.295 0.000 . 1 . . . A 29 TRP HZ3 . 25703 1 353 . 1 1 29 29 TRP HH2 H 1 7.105 0.000 . 1 . . . A 29 TRP HH2 . 25703 1 354 . 1 1 29 29 TRP CA C 13 53.924 0.069 . 1 . . . A 29 TRP CA . 25703 1 355 . 1 1 29 29 TRP CB C 13 29.460 0.140 . 1 . . . A 29 TRP CB . 25703 1 356 . 1 1 29 29 TRP CD1 C 13 129.199 0.000 . 1 . . . A 29 TRP CD1 . 25703 1 357 . 1 1 29 29 TRP CE3 C 13 121.278 0.000 . 1 . . . A 29 TRP CE3 . 25703 1 358 . 1 1 29 29 TRP CZ2 C 13 115.250 0.000 . 1 . . . A 29 TRP CZ2 . 25703 1 359 . 1 1 29 29 TRP CZ3 C 13 120.952 0.000 . 1 . . . A 29 TRP CZ3 . 25703 1 360 . 1 1 29 29 TRP CH2 C 13 124.962 0.000 . 1 . . . A 29 TRP CH2 . 25703 1 361 . 1 1 29 29 TRP N N 15 115.983 0.011 . 1 . . . A 29 TRP N . 25703 1 362 . 1 1 29 29 TRP NE1 N 15 139.734 0.001 . 1 . . . A 29 TRP NE1 . 25703 1 363 . 1 1 30 30 CYS HA H 1 3.857 0.011 . 1 . . . A 30 CYS HA . 25703 1 364 . 1 1 30 30 CYS HB2 H 1 2.228 0.021 . 2 . . . A 30 CYS HB2 . 25703 1 365 . 1 1 30 30 CYS HB3 H 1 2.493 0.002 . 2 . . . A 30 CYS HB3 . 25703 1 366 . 1 1 30 30 CYS CA C 13 58.536 0.000 . 1 . . . A 30 CYS CA . 25703 1 367 . 1 1 30 30 CYS CB C 13 37.005 0.056 . 1 . . . A 30 CYS CB . 25703 1 368 . 1 1 31 31 GLY HA2 H 1 3.972 0.006 . 2 . . . A 31 GLY HA2 . 25703 1 369 . 1 1 31 31 GLY HA3 H 1 4.197 0.009 . 2 . . . A 31 GLY HA3 . 25703 1 370 . 1 1 31 31 GLY CA C 13 48.989 0.017 . 1 . . . A 31 GLY CA . 25703 1 371 . 1 1 32 32 PRO HA H 1 4.398 0.011 . 1 . . . A 32 PRO HA . 25703 1 372 . 1 1 32 32 PRO HB2 H 1 2.490 0.006 . 1 . . . A 32 PRO HB2 . 25703 1 373 . 1 1 32 32 PRO HB3 H 1 2.491 0.005 . 1 . . . A 32 PRO HB3 . 25703 1 374 . 1 1 32 32 PRO HG2 H 1 1.643 0.004 . 1 . . . A 32 PRO HG2 . 25703 1 375 . 1 1 32 32 PRO HG3 H 1 1.640 0.013 . 1 . . . A 32 PRO HG3 . 25703 1 376 . 1 1 32 32 PRO HD2 H 1 3.875 0.008 . 1 . . . A 32 PRO HD2 . 25703 1 377 . 1 1 32 32 PRO HD3 H 1 3.815 0.008 . 1 . . . A 32 PRO HD3 . 25703 1 378 . 1 1 32 32 PRO C C 13 177.189 0.000 . 1 . . . A 32 PRO C . 25703 1 379 . 1 1 32 32 PRO CA C 13 65.366 0.044 . 1 . . . A 32 PRO CA . 25703 1 380 . 1 1 32 32 PRO CB C 13 32.289 0.000 . 1 . . . A 32 PRO CB . 25703 1 381 . 1 1 32 32 PRO CG C 13 32.075 0.006 . 1 . . . A 32 PRO CG . 25703 1 382 . 1 1 32 32 PRO CD C 13 52.419 0.038 . 1 . . . A 32 PRO CD . 25703 1 383 . 1 1 33 33 CYS H H 1 7.991 0.012 . 1 . . . A 33 CYS H . 25703 1 384 . 1 1 33 33 CYS HA H 1 4.223 0.022 . 1 . . . A 33 CYS HA . 25703 1 385 . 1 1 33 33 CYS HB2 H 1 2.893 0.003 . 1 . . . A 33 CYS HB2 . 25703 1 386 . 1 1 33 33 CYS HB3 H 1 2.886 0.006 . 1 . . . A 33 CYS HB3 . 25703 1 387 . 1 1 33 33 CYS CA C 13 65.801 0.064 . 1 . . . A 33 CYS CA . 25703 1 388 . 1 1 33 33 CYS CB C 13 34.949 0.026 . 1 . . . A 33 CYS CB . 25703 1 389 . 1 1 33 33 CYS N N 15 111.468 0.021 . 1 . . . A 33 CYS N . 25703 1 390 . 1 1 34 34 LYS HA H 1 3.968 0.024 . 1 . . . A 34 LYS HA . 25703 1 391 . 1 1 34 34 LYS HB2 H 1 1.935 0.026 . 1 . . . A 34 LYS HB2 . 25703 1 392 . 1 1 34 34 LYS HB3 H 1 1.889 0.000 . 1 . . . A 34 LYS HB3 . 25703 1 393 . 1 1 34 34 LYS C C 13 178.052 0.000 . 1 . . . A 34 LYS C . 25703 1 394 . 1 1 34 34 LYS CA C 13 59.661 0.000 . 1 . . . A 34 LYS CA . 25703 1 395 . 1 1 34 34 LYS CB C 13 32.513 0.026 . 1 . . . A 34 LYS CB . 25703 1 396 . 1 1 35 35 MET H H 1 7.326 0.007 . 1 . . . A 35 MET H . 25703 1 397 . 1 1 35 35 MET HA H 1 4.194 0.008 . 1 . . . A 35 MET HA . 25703 1 398 . 1 1 35 35 MET HB3 H 1 2.132 0.019 . 1 . . . A 35 MET HB3 . 25703 1 399 . 1 1 35 35 MET HG2 H 1 2.641 0.002 . 2 . . . A 35 MET HG2 . 25703 1 400 . 1 1 35 35 MET HG3 H 1 2.487 0.012 . 2 . . . A 35 MET HG3 . 25703 1 401 . 1 1 35 35 MET C C 13 177.451 0.000 . 1 . . . A 35 MET C . 25703 1 402 . 1 1 35 35 MET CA C 13 57.938 0.059 . 1 . . . A 35 MET CA . 25703 1 403 . 1 1 35 35 MET CB C 13 32.628 0.000 . 1 . . . A 35 MET CB . 25703 1 404 . 1 1 35 35 MET CG C 13 32.412 0.055 . 1 . . . A 35 MET CG . 25703 1 405 . 1 1 35 35 MET N N 15 117.236 0.016 . 1 . . . A 35 MET N . 25703 1 406 . 1 1 36 36 ILE H H 1 7.315 0.023 . 1 . . . A 36 ILE H . 25703 1 407 . 1 1 36 36 ILE HA H 1 4.345 0.014 . 1 . . . A 36 ILE HA . 25703 1 408 . 1 1 36 36 ILE HB H 1 1.871 0.012 . 1 . . . A 36 ILE HB . 25703 1 409 . 1 1 36 36 ILE HG12 H 1 1.404 0.022 . 2 . . . A 36 ILE HG12 . 25703 1 410 . 1 1 36 36 ILE HG13 H 1 1.425 0.011 . 2 . . . A 36 ILE HG13 . 25703 1 411 . 1 1 36 36 ILE HG21 H 1 0.773 0.017 . 1 . . . A 36 ILE HG21 . 25703 1 412 . 1 1 36 36 ILE HG22 H 1 0.773 0.017 . 1 . . . A 36 ILE HG22 . 25703 1 413 . 1 1 36 36 ILE HG23 H 1 0.773 0.017 . 1 . . . A 36 ILE HG23 . 25703 1 414 . 1 1 36 36 ILE HD11 H 1 0.873 0.028 . 1 . . . A 36 ILE HD11 . 25703 1 415 . 1 1 36 36 ILE HD12 H 1 0.873 0.028 . 1 . . . A 36 ILE HD12 . 25703 1 416 . 1 1 36 36 ILE HD13 H 1 0.873 0.028 . 1 . . . A 36 ILE HD13 . 25703 1 417 . 1 1 36 36 ILE C C 13 176.183 0.000 . 1 . . . A 36 ILE C . 25703 1 418 . 1 1 36 36 ILE CA C 13 60.656 0.053 . 1 . . . A 36 ILE CA . 25703 1 419 . 1 1 36 36 ILE CB C 13 39.657 0.023 . 1 . . . A 36 ILE CB . 25703 1 420 . 1 1 36 36 ILE CG1 C 13 28.431 0.055 . 1 . . . A 36 ILE CG1 . 25703 1 421 . 1 1 36 36 ILE CG2 C 13 14.212 0.017 . 1 . . . A 36 ILE CG2 . 25703 1 422 . 1 1 36 36 ILE CD1 C 13 12.341 0.036 . 1 . . . A 36 ILE CD1 . 25703 1 423 . 1 1 36 36 ILE N N 15 113.758 0.004 . 1 . . . A 36 ILE N . 25703 1 424 . 1 1 37 37 ALA H H 1 7.447 0.011 . 1 . . . A 37 ALA H . 25703 1 425 . 1 1 37 37 ALA HA H 1 4.095 0.018 . 1 . . . A 37 ALA HA . 25703 1 426 . 1 1 37 37 ALA HB1 H 1 1.289 0.015 . 1 . . . A 37 ALA HB1 . 25703 1 427 . 1 1 37 37 ALA HB2 H 1 1.289 0.015 . 1 . . . A 37 ALA HB2 . 25703 1 428 . 1 1 37 37 ALA HB3 H 1 1.289 0.015 . 1 . . . A 37 ALA HB3 . 25703 1 429 . 1 1 37 37 ALA CA C 13 57.562 0.095 . 1 . . . A 37 ALA CA . 25703 1 430 . 1 1 37 37 ALA CB C 13 15.912 0.053 . 1 . . . A 37 ALA CB . 25703 1 431 . 1 1 37 37 ALA N N 15 126.738 0.009 . 1 . . . A 37 ALA N . 25703 1 432 . 1 1 38 38 PRO HA H 1 4.270 0.132 . 1 . . . A 38 PRO HA . 25703 1 433 . 1 1 38 38 PRO HB2 H 1 2.325 0.019 . 1 . . . A 38 PRO HB2 . 25703 1 434 . 1 1 38 38 PRO HB3 H 1 2.345 0.000 . 1 . . . A 38 PRO HB3 . 25703 1 435 . 1 1 38 38 PRO HD3 H 1 4.247 0.032 . 1 . . . A 38 PRO HD3 . 25703 1 436 . 1 1 38 38 PRO C C 13 178.922 0.000 . 1 . . . A 38 PRO C . 25703 1 437 . 1 1 38 38 PRO CA C 13 65.743 0.373 . 1 . . . A 38 PRO CA . 25703 1 438 . 1 1 38 38 PRO CB C 13 31.224 0.000 . 1 . . . A 38 PRO CB . 25703 1 439 . 1 1 38 38 PRO CD C 13 50.880 0.018 . 1 . . . A 38 PRO CD . 25703 1 440 . 1 1 39 39 MET H H 1 7.063 0.018 . 1 . . . A 39 MET H . 25703 1 441 . 1 1 39 39 MET HA H 1 3.859 0.016 . 1 . . . A 39 MET HA . 25703 1 442 . 1 1 39 39 MET HB2 H 1 2.239 0.022 . 2 . . . A 39 MET HB2 . 25703 1 443 . 1 1 39 39 MET HB3 H 1 1.687 0.025 . 2 . . . A 39 MET HB3 . 25703 1 444 . 1 1 39 39 MET HG3 H 1 2.310 0.028 . 1 . . . A 39 MET HG3 . 25703 1 445 . 1 1 39 39 MET C C 13 174.441 0.000 . 1 . . . A 39 MET C . 25703 1 446 . 1 1 39 39 MET CA C 13 58.390 0.133 . 1 . . . A 39 MET CA . 25703 1 447 . 1 1 39 39 MET CB C 13 31.394 0.116 . 1 . . . A 39 MET CB . 25703 1 448 . 1 1 39 39 MET CG C 13 32.465 0.054 . 1 . . . A 39 MET CG . 25703 1 449 . 1 1 39 39 MET N N 15 118.310 0.029 . 1 . . . A 39 MET N . 25703 1 450 . 1 1 40 40 ILE H H 1 7.752 0.017 . 1 . . . A 40 ILE H . 25703 1 451 . 1 1 40 40 ILE HA H 1 3.595 0.014 . 1 . . . A 40 ILE HA . 25703 1 452 . 1 1 40 40 ILE HB H 1 2.068 0.012 . 1 . . . A 40 ILE HB . 25703 1 453 . 1 1 40 40 ILE HG13 H 1 1.917 0.018 . 1 . . . A 40 ILE HG13 . 25703 1 454 . 1 1 40 40 ILE HG21 H 1 0.977 0.015 . 1 . . . A 40 ILE HG21 . 25703 1 455 . 1 1 40 40 ILE HG22 H 1 0.977 0.015 . 1 . . . A 40 ILE HG22 . 25703 1 456 . 1 1 40 40 ILE HG23 H 1 0.977 0.015 . 1 . . . A 40 ILE HG23 . 25703 1 457 . 1 1 40 40 ILE HD11 H 1 0.832 0.013 . 1 . . . A 40 ILE HD11 . 25703 1 458 . 1 1 40 40 ILE HD12 H 1 0.832 0.013 . 1 . . . A 40 ILE HD12 . 25703 1 459 . 1 1 40 40 ILE HD13 H 1 0.832 0.013 . 1 . . . A 40 ILE HD13 . 25703 1 460 . 1 1 40 40 ILE C C 13 177.267 0.000 . 1 . . . A 40 ILE C . 25703 1 461 . 1 1 40 40 ILE CA C 13 64.393 0.037 . 1 . . . A 40 ILE CA . 25703 1 462 . 1 1 40 40 ILE CB C 13 36.259 0.091 . 1 . . . A 40 ILE CB . 25703 1 463 . 1 1 40 40 ILE CG1 C 13 27.490 0.000 . 1 . . . A 40 ILE CG1 . 25703 1 464 . 1 1 40 40 ILE CG2 C 13 18.381 0.025 . 1 . . . A 40 ILE CG2 . 25703 1 465 . 1 1 40 40 ILE CD1 C 13 14.493 0.084 . 1 . . . A 40 ILE CD1 . 25703 1 466 . 1 1 40 40 ILE N N 15 119.013 0.063 . 1 . . . A 40 ILE N . 25703 1 467 . 1 1 41 41 GLU H H 1 7.442 0.022 . 1 . . . A 41 GLU H . 25703 1 468 . 1 1 41 41 GLU HA H 1 3.572 0.007 . 1 . . . A 41 GLU HA . 25703 1 469 . 1 1 41 41 GLU HB3 H 1 1.952 0.022 . 1 . . . A 41 GLU HB3 . 25703 1 470 . 1 1 41 41 GLU C C 13 179.597 0.000 . 1 . . . A 41 GLU C . 25703 1 471 . 1 1 41 41 GLU CA C 13 59.878 0.019 . 1 . . . A 41 GLU CA . 25703 1 472 . 1 1 41 41 GLU CB C 13 29.900 0.000 . 1 . . . A 41 GLU CB . 25703 1 473 . 1 1 41 41 GLU N N 15 119.530 0.031 . 1 . . . A 41 GLU N . 25703 1 474 . 1 1 42 42 LYS H H 1 7.428 0.023 . 1 . . . A 42 LYS H . 25703 1 475 . 1 1 42 42 LYS HA H 1 3.932 0.013 . 1 . . . A 42 LYS HA . 25703 1 476 . 1 1 42 42 LYS HB2 H 1 1.679 0.017 . 2 . . . A 42 LYS HB2 . 25703 1 477 . 1 1 42 42 LYS HB3 H 1 1.682 0.023 . 2 . . . A 42 LYS HB3 . 25703 1 478 . 1 1 42 42 LYS HG2 H 1 1.389 0.015 . 2 . . . A 42 LYS HG2 . 25703 1 479 . 1 1 42 42 LYS HG3 H 1 1.385 0.021 . 2 . . . A 42 LYS HG3 . 25703 1 480 . 1 1 42 42 LYS HD2 H 1 1.617 0.014 . 2 . . . A 42 LYS HD2 . 25703 1 481 . 1 1 42 42 LYS HD3 H 1 1.618 0.017 . 2 . . . A 42 LYS HD3 . 25703 1 482 . 1 1 42 42 LYS HE3 H 1 2.786 0.000 . 1 . . . A 42 LYS HE3 . 25703 1 483 . 1 1 42 42 LYS C C 13 179.390 0.000 . 1 . . . A 42 LYS C . 25703 1 484 . 1 1 42 42 LYS CA C 13 59.532 0.061 . 1 . . . A 42 LYS CA . 25703 1 485 . 1 1 42 42 LYS CB C 13 31.281 0.108 . 1 . . . A 42 LYS CB . 25703 1 486 . 1 1 42 42 LYS CG C 13 22.247 0.002 . 1 . . . A 42 LYS CG . 25703 1 487 . 1 1 42 42 LYS CD C 13 25.825 0.042 . 1 . . . A 42 LYS CD . 25703 1 488 . 1 1 42 42 LYS CE C 13 40.378 0.000 . 1 . . . A 42 LYS CE . 25703 1 489 . 1 1 42 42 LYS N N 15 122.053 0.233 . 1 . . . A 42 LYS N . 25703 1 490 . 1 1 43 43 PHE H H 1 8.337 0.013 . 1 . . . A 43 PHE H . 25703 1 491 . 1 1 43 43 PHE HA H 1 4.639 0.036 . 1 . . . A 43 PHE HA . 25703 1 492 . 1 1 43 43 PHE HB2 H 1 3.065 0.015 . 2 . . . A 43 PHE HB2 . 25703 1 493 . 1 1 43 43 PHE HB3 H 1 3.160 0.039 . 2 . . . A 43 PHE HB3 . 25703 1 494 . 1 1 43 43 PHE HD1 H 1 7.154 0.017 . 1 . . . A 43 PHE HD1 . 25703 1 495 . 1 1 43 43 PHE HD2 H 1 7.154 0.017 . 1 . . . A 43 PHE HD2 . 25703 1 496 . 1 1 43 43 PHE C C 13 177.337 0.000 . 1 . . . A 43 PHE C . 25703 1 497 . 1 1 43 43 PHE CA C 13 59.331 0.054 . 1 . . . A 43 PHE CA . 25703 1 498 . 1 1 43 43 PHE CB C 13 37.737 0.032 . 1 . . . A 43 PHE CB . 25703 1 499 . 1 1 43 43 PHE CD1 C 13 131.152 0.016 . 1 . . . A 43 PHE CD1 . 25703 1 500 . 1 1 43 43 PHE CD2 C 13 131.152 0.016 . 1 . . . A 43 PHE CD2 . 25703 1 501 . 1 1 43 43 PHE N N 15 120.250 0.017 . 1 . . . A 43 PHE N . 25703 1 502 . 1 1 44 44 SER H H 1 7.754 0.019 . 1 . . . A 44 SER H . 25703 1 503 . 1 1 44 44 SER HA H 1 2.967 0.020 . 1 . . . A 44 SER HA . 25703 1 504 . 1 1 44 44 SER HB2 H 1 2.745 0.011 . 2 . . . A 44 SER HB2 . 25703 1 505 . 1 1 44 44 SER HB3 H 1 3.176 0.020 . 2 . . . A 44 SER HB3 . 25703 1 506 . 1 1 44 44 SER C C 13 174.934 0.000 . 1 . . . A 44 SER C . 25703 1 507 . 1 1 44 44 SER CA C 13 61.159 0.050 . 1 . . . A 44 SER CA . 25703 1 508 . 1 1 44 44 SER CB C 13 62.353 0.007 . 1 . . . A 44 SER CB . 25703 1 509 . 1 1 44 44 SER N N 15 117.203 0.110 . 1 . . . A 44 SER N . 25703 1 510 . 1 1 45 45 GLU H H 1 6.884 0.012 . 1 . . . A 45 GLU H . 25703 1 511 . 1 1 45 45 GLU HA H 1 4.049 0.017 . 1 . . . A 45 GLU HA . 25703 1 512 . 1 1 45 45 GLU HB2 H 1 2.024 0.012 . 2 . . . A 45 GLU HB2 . 25703 1 513 . 1 1 45 45 GLU HB3 H 1 2.017 0.015 . 2 . . . A 45 GLU HB3 . 25703 1 514 . 1 1 45 45 GLU C C 13 177.360 0.000 . 1 . . . A 45 GLU C . 25703 1 515 . 1 1 45 45 GLU CA C 13 57.739 0.032 . 1 . . . A 45 GLU CA . 25703 1 516 . 1 1 45 45 GLU CB C 13 30.191 0.055 . 1 . . . A 45 GLU CB . 25703 1 517 . 1 1 45 45 GLU N N 15 121.664 0.027 . 1 . . . A 45 GLU N . 25703 1 518 . 1 1 46 46 GLN H H 1 7.551 0.245 . 1 . . . A 46 GLN H . 25703 1 519 . 1 1 46 46 GLN HA H 1 3.948 0.050 . 1 . . . A 46 GLN HA . 25703 1 520 . 1 1 46 46 GLN HB2 H 1 2.051 0.037 . 1 . . . A 46 GLN HB2 . 25703 1 521 . 1 1 46 46 GLN HB3 H 1 2.019 0.012 . 1 . . . A 46 GLN HB3 . 25703 1 522 . 1 1 46 46 GLN HG2 H 1 2.268 0.000 . 1 . . . A 46 GLN HG2 . 25703 1 523 . 1 1 46 46 GLN HG3 H 1 2.290 0.042 . 1 . . . A 46 GLN HG3 . 25703 1 524 . 1 1 46 46 GLN HE21 H 1 7.194 0.004 . 1 . . . A 46 GLN HE21 . 25703 1 525 . 1 1 46 46 GLN HE22 H 1 7.609 0.005 . 1 . . . A 46 GLN HE22 . 25703 1 526 . 1 1 46 46 GLN C C 13 177.431 0.000 . 1 . . . A 46 GLN C . 25703 1 527 . 1 1 46 46 GLN CA C 13 58.372 1.009 . 1 . . . A 46 GLN CA . 25703 1 528 . 1 1 46 46 GLN CB C 13 30.160 0.027 . 1 . . . A 46 GLN CB . 25703 1 529 . 1 1 46 46 GLN CG C 13 34.160 0.436 . 1 . . . A 46 GLN CG . 25703 1 530 . 1 1 46 46 GLN N N 15 118.766 0.126 . 1 . . . A 46 GLN N . 25703 1 531 . 1 1 46 46 GLN NE2 N 15 114.479 0.017 . 1 . . . A 46 GLN NE2 . 25703 1 532 . 1 1 47 47 TYR H H 1 7.426 0.016 . 1 . . . A 47 TYR H . 25703 1 533 . 1 1 47 47 TYR HA H 1 4.971 0.008 . 1 . . . A 47 TYR HA . 25703 1 534 . 1 1 47 47 TYR HB2 H 1 2.899 0.033 . 2 . . . A 47 TYR HB2 . 25703 1 535 . 1 1 47 47 TYR HB3 H 1 2.882 0.023 . 2 . . . A 47 TYR HB3 . 25703 1 536 . 1 1 47 47 TYR HD1 H 1 7.180 0.019 . 1 . . . A 47 TYR HD1 . 25703 1 537 . 1 1 47 47 TYR HD2 H 1 7.180 0.019 . 1 . . . A 47 TYR HD2 . 25703 1 538 . 1 1 47 47 TYR HE1 H 1 6.571 0.008 . 1 . . . A 47 TYR HE1 . 25703 1 539 . 1 1 47 47 TYR HE2 H 1 6.571 0.008 . 1 . . . A 47 TYR HE2 . 25703 1 540 . 1 1 47 47 TYR CA C 13 56.523 0.030 . 1 . . . A 47 TYR CA . 25703 1 541 . 1 1 47 47 TYR CB C 13 38.479 0.032 . 1 . . . A 47 TYR CB . 25703 1 542 . 1 1 47 47 TYR CD1 C 13 133.472 0.153 . 1 . . . A 47 TYR CD1 . 25703 1 543 . 1 1 47 47 TYR CD2 C 13 133.472 0.153 . 1 . . . A 47 TYR CD2 . 25703 1 544 . 1 1 47 47 TYR CE1 C 13 117.060 0.043 . 1 . . . A 47 TYR CE1 . 25703 1 545 . 1 1 47 47 TYR CE2 C 13 117.060 0.043 . 1 . . . A 47 TYR CE2 . 25703 1 546 . 1 1 47 47 TYR N N 15 117.012 0.021 . 1 . . . A 47 TYR N . 25703 1 547 . 1 1 48 48 PRO HA H 1 4.388 0.023 . 1 . . . A 48 PRO HA . 25703 1 548 . 1 1 48 48 PRO HB2 H 1 2.490 0.004 . 2 . . . A 48 PRO HB2 . 25703 1 549 . 1 1 48 48 PRO HB3 H 1 2.495 0.003 . 2 . . . A 48 PRO HB3 . 25703 1 550 . 1 1 48 48 PRO C C 13 176.927 0.000 . 1 . . . A 48 PRO C . 25703 1 551 . 1 1 48 48 PRO CA C 13 65.425 0.055 . 1 . . . A 48 PRO CA . 25703 1 552 . 1 1 48 48 PRO CB C 13 32.619 0.100 . 1 . . . A 48 PRO CB . 25703 1 553 . 1 1 49 49 GLN H H 1 9.624 0.008 . 1 . . . A 49 GLN H . 25703 1 554 . 1 1 49 49 GLN HA H 1 4.369 0.009 . 1 . . . A 49 GLN HA . 25703 1 555 . 1 1 49 49 GLN HB2 H 1 2.119 0.020 . 2 . . . A 49 GLN HB2 . 25703 1 556 . 1 1 49 49 GLN HB3 H 1 2.180 0.049 . 2 . . . A 49 GLN HB3 . 25703 1 557 . 1 1 49 49 GLN HG2 H 1 2.624 0.011 . 2 . . . A 49 GLN HG2 . 25703 1 558 . 1 1 49 49 GLN HG3 H 1 2.618 0.010 . 2 . . . A 49 GLN HG3 . 25703 1 559 . 1 1 49 49 GLN HE21 H 1 7.519 0.003 . 1 . . . A 49 GLN HE21 . 25703 1 560 . 1 1 49 49 GLN HE22 H 1 7.728 0.001 . 1 . . . A 49 GLN HE22 . 25703 1 561 . 1 1 49 49 GLN C C 13 174.438 0.000 . 1 . . . A 49 GLN C . 25703 1 562 . 1 1 49 49 GLN CA C 13 56.832 0.025 . 1 . . . A 49 GLN CA . 25703 1 563 . 1 1 49 49 GLN CB C 13 28.164 0.088 . 1 . . . A 49 GLN CB . 25703 1 564 . 1 1 49 49 GLN CG C 13 33.743 0.013 . 1 . . . A 49 GLN CG . 25703 1 565 . 1 1 49 49 GLN N N 15 120.194 0.056 . 1 . . . A 49 GLN N . 25703 1 566 . 1 1 49 49 GLN NE2 N 15 112.785 0.014 . 1 . . . A 49 GLN NE2 . 25703 1 567 . 1 1 50 50 ALA H H 1 8.179 0.015 . 1 . . . A 50 ALA H . 25703 1 568 . 1 1 50 50 ALA HA H 1 5.048 0.006 . 1 . . . A 50 ALA HA . 25703 1 569 . 1 1 50 50 ALA HB1 H 1 1.207 0.018 . 1 . . . A 50 ALA HB1 . 25703 1 570 . 1 1 50 50 ALA HB2 H 1 1.207 0.018 . 1 . . . A 50 ALA HB2 . 25703 1 571 . 1 1 50 50 ALA HB3 H 1 1.207 0.018 . 1 . . . A 50 ALA HB3 . 25703 1 572 . 1 1 50 50 ALA C C 13 174.685 0.000 . 1 . . . A 50 ALA C . 25703 1 573 . 1 1 50 50 ALA CA C 13 50.518 0.018 . 1 . . . A 50 ALA CA . 25703 1 574 . 1 1 50 50 ALA CB C 13 22.754 0.049 . 1 . . . A 50 ALA CB . 25703 1 575 . 1 1 50 50 ALA N N 15 128.180 0.022 . 1 . . . A 50 ALA N . 25703 1 576 . 1 1 51 51 ASP H H 1 8.435 0.014 . 1 . . . A 51 ASP H . 25703 1 577 . 1 1 51 51 ASP HA H 1 5.102 0.007 . 1 . . . A 51 ASP HA . 25703 1 578 . 1 1 51 51 ASP HB2 H 1 2.525 0.006 . 2 . . . A 51 ASP HB2 . 25703 1 579 . 1 1 51 51 ASP HB3 H 1 2.651 0.006 . 2 . . . A 51 ASP HB3 . 25703 1 580 . 1 1 51 51 ASP C C 13 174.171 0.000 . 1 . . . A 51 ASP C . 25703 1 581 . 1 1 51 51 ASP CA C 13 53.515 0.056 . 1 . . . A 51 ASP CA . 25703 1 582 . 1 1 51 51 ASP CB C 13 44.782 0.040 . 1 . . . A 51 ASP CB . 25703 1 583 . 1 1 51 51 ASP N N 15 121.032 0.016 . 1 . . . A 51 ASP N . 25703 1 584 . 1 1 52 52 PHE H H 1 8.983 0.018 . 1 . . . A 52 PHE H . 25703 1 585 . 1 1 52 52 PHE HA H 1 5.172 0.014 . 1 . . . A 52 PHE HA . 25703 1 586 . 1 1 52 52 PHE HB2 H 1 3.290 0.011 . 2 . . . A 52 PHE HB2 . 25703 1 587 . 1 1 52 52 PHE HB3 H 1 2.501 0.010 . 2 . . . A 52 PHE HB3 . 25703 1 588 . 1 1 52 52 PHE HD1 H 1 7.258 0.006 . 1 . . . A 52 PHE HD1 . 25703 1 589 . 1 1 52 52 PHE HD2 H 1 7.258 0.006 . 1 . . . A 52 PHE HD2 . 25703 1 590 . 1 1 52 52 PHE HE1 H 1 6.766 0.002 . 1 . . . A 52 PHE HE1 . 25703 1 591 . 1 1 52 52 PHE HE2 H 1 6.766 0.002 . 1 . . . A 52 PHE HE2 . 25703 1 592 . 1 1 52 52 PHE C C 13 174.110 0.000 . 1 . . . A 52 PHE C . 25703 1 593 . 1 1 52 52 PHE CA C 13 57.189 0.041 . 1 . . . A 52 PHE CA . 25703 1 594 . 1 1 52 52 PHE CB C 13 42.291 0.049 . 1 . . . A 52 PHE CB . 25703 1 595 . 1 1 52 52 PHE CD1 C 13 132.554 0.037 . 1 . . . A 52 PHE CD1 . 25703 1 596 . 1 1 52 52 PHE CD2 C 13 132.554 0.037 . 1 . . . A 52 PHE CD2 . 25703 1 597 . 1 1 52 52 PHE CE1 C 13 132.033 0.082 . 1 . . . A 52 PHE CE1 . 25703 1 598 . 1 1 52 52 PHE CE2 C 13 132.033 0.082 . 1 . . . A 52 PHE CE2 . 25703 1 599 . 1 1 52 52 PHE N N 15 121.696 0.008 . 1 . . . A 52 PHE N . 25703 1 600 . 1 1 53 53 TYR H H 1 9.362 0.010 . 1 . . . A 53 TYR H . 25703 1 601 . 1 1 53 53 TYR HA H 1 5.495 0.009 . 1 . . . A 53 TYR HA . 25703 1 602 . 1 1 53 53 TYR HB2 H 1 2.110 0.033 . 2 . . . A 53 TYR HB2 . 25703 1 603 . 1 1 53 53 TYR HB3 H 1 2.052 0.024 . 2 . . . A 53 TYR HB3 . 25703 1 604 . 1 1 53 53 TYR HD1 H 1 6.255 0.010 . 1 . . . A 53 TYR HD1 . 25703 1 605 . 1 1 53 53 TYR HD2 H 1 6.255 0.010 . 1 . . . A 53 TYR HD2 . 25703 1 606 . 1 1 53 53 TYR HE1 H 1 6.480 0.003 . 1 . . . A 53 TYR HE1 . 25703 1 607 . 1 1 53 53 TYR HE2 H 1 6.480 0.003 . 1 . . . A 53 TYR HE2 . 25703 1 608 . 1 1 53 53 TYR C C 13 174.002 0.000 . 1 . . . A 53 TYR C . 25703 1 609 . 1 1 53 53 TYR CA C 13 56.214 0.015 . 1 . . . A 53 TYR CA . 25703 1 610 . 1 1 53 53 TYR CB C 13 46.407 0.024 . 1 . . . A 53 TYR CB . 25703 1 611 . 1 1 53 53 TYR CD1 C 13 133.726 0.000 . 1 . . . A 53 TYR CD1 . 25703 1 612 . 1 1 53 53 TYR CD2 C 13 133.726 0.000 . 1 . . . A 53 TYR CD2 . 25703 1 613 . 1 1 53 53 TYR CE1 C 13 117.742 0.013 . 1 . . . A 53 TYR CE1 . 25703 1 614 . 1 1 53 53 TYR CE2 C 13 117.742 0.013 . 1 . . . A 53 TYR CE2 . 25703 1 615 . 1 1 53 53 TYR N N 15 122.042 0.016 . 1 . . . A 53 TYR N . 25703 1 616 . 1 1 54 54 LYS H H 1 8.463 0.017 . 1 . . . A 54 LYS H . 25703 1 617 . 1 1 54 54 LYS HA H 1 5.505 0.009 . 1 . . . A 54 LYS HA . 25703 1 618 . 1 1 54 54 LYS HB2 H 1 1.709 0.023 . 2 . . . A 54 LYS HB2 . 25703 1 619 . 1 1 54 54 LYS HB3 H 1 1.570 0.001 . 2 . . . A 54 LYS HB3 . 25703 1 620 . 1 1 54 54 LYS HD2 H 1 1.545 0.011 . 2 . . . A 54 LYS HD2 . 25703 1 621 . 1 1 54 54 LYS HD3 H 1 1.493 0.026 . 2 . . . A 54 LYS HD3 . 25703 1 622 . 1 1 54 54 LYS HE3 H 1 2.627 0.004 . 1 . . . A 54 LYS HE3 . 25703 1 623 . 1 1 54 54 LYS C C 13 172.792 0.000 . 1 . . . A 54 LYS C . 25703 1 624 . 1 1 54 54 LYS CA C 13 53.943 0.065 . 1 . . . A 54 LYS CA . 25703 1 625 . 1 1 54 54 LYS CB C 13 36.950 0.049 . 1 . . . A 54 LYS CB . 25703 1 626 . 1 1 54 54 LYS CD C 13 30.027 0.119 . 1 . . . A 54 LYS CD . 25703 1 627 . 1 1 54 54 LYS CE C 13 42.502 0.088 . 1 . . . A 54 LYS CE . 25703 1 628 . 1 1 54 54 LYS N N 15 116.808 0.021 . 1 . . . A 54 LYS N . 25703 1 629 . 1 1 55 55 LEU H H 1 8.688 0.015 . 1 . . . A 55 LEU H . 25703 1 630 . 1 1 55 55 LEU HA H 1 4.472 0.010 . 1 . . . A 55 LEU HA . 25703 1 631 . 1 1 55 55 LEU HB2 H 1 1.238 0.025 . 1 . . . A 55 LEU HB2 . 25703 1 632 . 1 1 55 55 LEU HB3 H 1 1.160 0.023 . 1 . . . A 55 LEU HB3 . 25703 1 633 . 1 1 55 55 LEU HG H 1 1.402 0.036 . 1 . . . A 55 LEU HG . 25703 1 634 . 1 1 55 55 LEU HD11 H 1 0.513 0.027 . 1 . . . A 55 LEU HD11 . 25703 1 635 . 1 1 55 55 LEU HD12 H 1 0.513 0.027 . 1 . . . A 55 LEU HD12 . 25703 1 636 . 1 1 55 55 LEU HD13 H 1 0.513 0.027 . 1 . . . A 55 LEU HD13 . 25703 1 637 . 1 1 55 55 LEU HD21 H 1 0.751 0.015 . 1 . . . A 55 LEU HD21 . 25703 1 638 . 1 1 55 55 LEU HD22 H 1 0.751 0.015 . 1 . . . A 55 LEU HD22 . 25703 1 639 . 1 1 55 55 LEU HD23 H 1 0.751 0.015 . 1 . . . A 55 LEU HD23 . 25703 1 640 . 1 1 55 55 LEU C C 13 171.652 0.000 . 1 . . . A 55 LEU C . 25703 1 641 . 1 1 55 55 LEU CA C 13 55.906 0.019 . 1 . . . A 55 LEU CA . 25703 1 642 . 1 1 55 55 LEU CB C 13 46.528 0.162 . 1 . . . A 55 LEU CB . 25703 1 643 . 1 1 55 55 LEU CG C 13 27.224 0.455 . 1 . . . A 55 LEU CG . 25703 1 644 . 1 1 55 55 LEU CD1 C 13 26.536 0.104 . 1 . . . A 55 LEU CD1 . 25703 1 645 . 1 1 55 55 LEU N N 15 123.826 0.043 . 1 . . . A 55 LEU N . 25703 1 646 . 1 1 56 56 ASP H H 1 8.595 0.010 . 1 . . . A 56 ASP H . 25703 1 647 . 1 1 56 56 ASP HA H 1 4.130 0.034 . 1 . . . A 56 ASP HA . 25703 1 648 . 1 1 56 56 ASP HB2 H 1 2.715 0.011 . 2 . . . A 56 ASP HB2 . 25703 1 649 . 1 1 56 56 ASP HB3 H 1 2.159 0.012 . 2 . . . A 56 ASP HB3 . 25703 1 650 . 1 1 56 56 ASP C C 13 177.692 0.000 . 1 . . . A 56 ASP C . 25703 1 651 . 1 1 56 56 ASP CA C 13 54.074 0.003 . 1 . . . A 56 ASP CA . 25703 1 652 . 1 1 56 56 ASP CB C 13 41.388 0.044 . 1 . . . A 56 ASP CB . 25703 1 653 . 1 1 56 56 ASP N N 15 127.169 0.021 . 1 . . . A 56 ASP N . 25703 1 654 . 1 1 57 57 VAL H H 1 8.712 0.010 . 1 . . . A 57 VAL H . 25703 1 655 . 1 1 57 57 VAL HA H 1 3.491 0.009 . 1 . . . A 57 VAL HA . 25703 1 656 . 1 1 57 57 VAL HB H 1 2.230 0.010 . 1 . . . A 57 VAL HB . 25703 1 657 . 1 1 57 57 VAL HG11 H 1 0.942 0.010 . 2 . . . A 57 VAL HG11 . 25703 1 658 . 1 1 57 57 VAL HG12 H 1 0.942 0.010 . 2 . . . A 57 VAL HG12 . 25703 1 659 . 1 1 57 57 VAL HG13 H 1 0.942 0.010 . 2 . . . A 57 VAL HG13 . 25703 1 660 . 1 1 57 57 VAL HG21 H 1 1.094 0.014 . 2 . . . A 57 VAL HG21 . 25703 1 661 . 1 1 57 57 VAL HG22 H 1 1.094 0.014 . 2 . . . A 57 VAL HG22 . 25703 1 662 . 1 1 57 57 VAL HG23 H 1 1.094 0.014 . 2 . . . A 57 VAL HG23 . 25703 1 663 . 1 1 57 57 VAL C C 13 175.413 0.000 . 1 . . . A 57 VAL C . 25703 1 664 . 1 1 57 57 VAL CA C 13 65.095 0.050 . 1 . . . A 57 VAL CA . 25703 1 665 . 1 1 57 57 VAL CB C 13 31.658 0.099 . 1 . . . A 57 VAL CB . 25703 1 666 . 1 1 57 57 VAL CG1 C 13 19.236 0.149 . 2 . . . A 57 VAL CG1 . 25703 1 667 . 1 1 57 57 VAL CG2 C 13 23.322 0.059 . 2 . . . A 57 VAL CG2 . 25703 1 668 . 1 1 57 57 VAL N N 15 123.562 0.071 . 1 . . . A 57 VAL N . 25703 1 669 . 1 1 58 58 ASP H H 1 8.670 0.012 . 1 . . . A 58 ASP H . 25703 1 670 . 1 1 58 58 ASP HA H 1 4.827 0.000 . 1 . . . A 58 ASP HA . 25703 1 671 . 1 1 58 58 ASP HB2 H 1 2.560 0.000 . 2 . . . A 58 ASP HB2 . 25703 1 672 . 1 1 58 58 ASP HB3 H 1 2.511 0.007 . 2 . . . A 58 ASP HB3 . 25703 1 673 . 1 1 58 58 ASP C C 13 177.131 0.000 . 1 . . . A 58 ASP C . 25703 1 674 . 1 1 58 58 ASP CA C 13 57.693 0.000 . 1 . . . A 58 ASP CA . 25703 1 675 . 1 1 58 58 ASP CB C 13 40.827 0.036 . 1 . . . A 58 ASP CB . 25703 1 676 . 1 1 58 58 ASP N N 15 120.070 0.091 . 1 . . . A 58 ASP N . 25703 1 677 . 1 1 59 59 GLU H H 1 7.616 0.019 . 1 . . . A 59 GLU H . 25703 1 678 . 1 1 59 59 GLU HA H 1 4.358 0.012 . 1 . . . A 59 GLU HA . 25703 1 679 . 1 1 59 59 GLU HB2 H 1 2.113 0.022 . 2 . . . A 59 GLU HB2 . 25703 1 680 . 1 1 59 59 GLU HB3 H 1 2.080 0.043 . 2 . . . A 59 GLU HB3 . 25703 1 681 . 1 1 59 59 GLU HG2 H 1 2.458 0.014 . 2 . . . A 59 GLU HG2 . 25703 1 682 . 1 1 59 59 GLU HG3 H 1 2.455 0.013 . 2 . . . A 59 GLU HG3 . 25703 1 683 . 1 1 59 59 GLU C C 13 176.606 0.000 . 1 . . . A 59 GLU C . 25703 1 684 . 1 1 59 59 GLU CA C 13 57.881 0.032 . 1 . . . A 59 GLU CA . 25703 1 685 . 1 1 59 59 GLU CB C 13 32.138 0.070 . 1 . . . A 59 GLU CB . 25703 1 686 . 1 1 59 59 GLU CG C 13 33.356 0.008 . 1 . . . A 59 GLU CG . 25703 1 687 . 1 1 59 59 GLU N N 15 120.889 0.161 . 1 . . . A 59 GLU N . 25703 1 688 . 1 1 60 60 LEU H H 1 7.690 0.010 . 1 . . . A 60 LEU H . 25703 1 689 . 1 1 60 60 LEU HA H 1 4.916 0.009 . 1 . . . A 60 LEU HA . 25703 1 690 . 1 1 60 60 LEU HB2 H 1 2.619 0.013 . 2 . . . A 60 LEU HB2 . 25703 1 691 . 1 1 60 60 LEU HB3 H 1 1.446 0.017 . 2 . . . A 60 LEU HB3 . 25703 1 692 . 1 1 60 60 LEU HG H 1 1.514 0.065 . 1 . . . A 60 LEU HG . 25703 1 693 . 1 1 60 60 LEU HD11 H 1 0.557 0.036 . 1 . . . A 60 LEU HD11 . 25703 1 694 . 1 1 60 60 LEU HD12 H 1 0.557 0.036 . 1 . . . A 60 LEU HD12 . 25703 1 695 . 1 1 60 60 LEU HD13 H 1 0.557 0.036 . 1 . . . A 60 LEU HD13 . 25703 1 696 . 1 1 60 60 LEU C C 13 176.538 0.000 . 1 . . . A 60 LEU C . 25703 1 697 . 1 1 60 60 LEU CA C 13 52.864 0.016 . 1 . . . A 60 LEU CA . 25703 1 698 . 1 1 60 60 LEU CB C 13 42.270 0.160 . 1 . . . A 60 LEU CB . 25703 1 699 . 1 1 60 60 LEU CG C 13 27.768 1.018 . 1 . . . A 60 LEU CG . 25703 1 700 . 1 1 60 60 LEU CD1 C 13 23.284 0.215 . 1 . . . A 60 LEU CD1 . 25703 1 701 . 1 1 60 60 LEU N N 15 122.457 0.032 . 1 . . . A 60 LEU N . 25703 1 702 . 1 1 61 61 GLY H H 1 8.267 0.010 . 1 . . . A 61 GLY H . 25703 1 703 . 1 1 61 61 GLY HA2 H 1 3.829 0.016 . 2 . . . A 61 GLY HA2 . 25703 1 704 . 1 1 61 61 GLY HA3 H 1 3.975 0.016 . 2 . . . A 61 GLY HA3 . 25703 1 705 . 1 1 61 61 GLY C C 13 175.917 0.000 . 1 . . . A 61 GLY C . 25703 1 706 . 1 1 61 61 GLY CA C 13 48.760 0.021 . 1 . . . A 61 GLY CA . 25703 1 707 . 1 1 61 61 GLY N N 15 112.065 0.019 . 1 . . . A 61 GLY N . 25703 1 708 . 1 1 62 62 ASP H H 1 9.155 0.006 . 1 . . . A 62 ASP H . 25703 1 709 . 1 1 62 62 ASP HA H 1 4.302 0.008 . 1 . . . A 62 ASP HA . 25703 1 710 . 1 1 62 62 ASP HB2 H 1 2.480 0.016 . 2 . . . A 62 ASP HB2 . 25703 1 711 . 1 1 62 62 ASP HB3 H 1 2.597 0.010 . 2 . . . A 62 ASP HB3 . 25703 1 712 . 1 1 62 62 ASP C C 13 178.355 0.000 . 1 . . . A 62 ASP C . 25703 1 713 . 1 1 62 62 ASP CA C 13 57.045 0.049 . 1 . . . A 62 ASP CA . 25703 1 714 . 1 1 62 62 ASP CB C 13 39.646 0.013 . 1 . . . A 62 ASP CB . 25703 1 715 . 1 1 62 62 ASP N N 15 120.904 0.025 . 1 . . . A 62 ASP N . 25703 1 716 . 1 1 63 63 VAL H H 1 7.263 0.017 . 1 . . . A 63 VAL H . 25703 1 717 . 1 1 63 63 VAL HA H 1 3.310 0.011 . 1 . . . A 63 VAL HA . 25703 1 718 . 1 1 63 63 VAL HB H 1 1.864 0.014 . 1 . . . A 63 VAL HB . 25703 1 719 . 1 1 63 63 VAL HG11 H 1 0.602 0.172 . 2 . . . A 63 VAL HG11 . 25703 1 720 . 1 1 63 63 VAL HG12 H 1 0.602 0.172 . 2 . . . A 63 VAL HG12 . 25703 1 721 . 1 1 63 63 VAL HG13 H 1 0.602 0.172 . 2 . . . A 63 VAL HG13 . 25703 1 722 . 1 1 63 63 VAL HG21 H 1 -0.272 0.010 . 2 . . . A 63 VAL HG21 . 25703 1 723 . 1 1 63 63 VAL HG22 H 1 -0.272 0.010 . 2 . . . A 63 VAL HG22 . 25703 1 724 . 1 1 63 63 VAL HG23 H 1 -0.272 0.010 . 2 . . . A 63 VAL HG23 . 25703 1 725 . 1 1 63 63 VAL C C 13 178.724 0.000 . 1 . . . A 63 VAL C . 25703 1 726 . 1 1 63 63 VAL CA C 13 65.878 0.070 . 1 . . . A 63 VAL CA . 25703 1 727 . 1 1 63 63 VAL CB C 13 31.718 0.036 . 1 . . . A 63 VAL CB . 25703 1 728 . 1 1 63 63 VAL CG1 C 13 20.856 0.085 . 2 . . . A 63 VAL CG1 . 25703 1 729 . 1 1 63 63 VAL CG2 C 13 20.904 0.044 . 2 . . . A 63 VAL CG2 . 25703 1 730 . 1 1 63 63 VAL N N 15 121.465 0.083 . 1 . . . A 63 VAL N . 25703 1 731 . 1 1 64 64 ALA H H 1 7.248 0.015 . 1 . . . A 64 ALA H . 25703 1 732 . 1 1 64 64 ALA HA H 1 3.774 0.013 . 1 . . . A 64 ALA HA . 25703 1 733 . 1 1 64 64 ALA HB1 H 1 1.480 0.005 . 1 . . . A 64 ALA HB1 . 25703 1 734 . 1 1 64 64 ALA HB2 H 1 1.480 0.005 . 1 . . . A 64 ALA HB2 . 25703 1 735 . 1 1 64 64 ALA HB3 H 1 1.480 0.005 . 1 . . . A 64 ALA HB3 . 25703 1 736 . 1 1 64 64 ALA C C 13 177.984 0.000 . 1 . . . A 64 ALA C . 25703 1 737 . 1 1 64 64 ALA CA C 13 56.326 0.069 . 1 . . . A 64 ALA CA . 25703 1 738 . 1 1 64 64 ALA CB C 13 18.296 0.052 . 1 . . . A 64 ALA CB . 25703 1 739 . 1 1 64 64 ALA N N 15 123.341 0.028 . 1 . . . A 64 ALA N . 25703 1 740 . 1 1 65 65 GLN H H 1 8.276 0.009 . 1 . . . A 65 GLN H . 25703 1 741 . 1 1 65 65 GLN HA H 1 4.013 0.014 . 1 . . . A 65 GLN HA . 25703 1 742 . 1 1 65 65 GLN HB2 H 1 2.090 0.003 . 1 . . . A 65 GLN HB2 . 25703 1 743 . 1 1 65 65 GLN HB3 H 1 2.086 0.010 . 1 . . . A 65 GLN HB3 . 25703 1 744 . 1 1 65 65 GLN HG2 H 1 2.339 0.014 . 2 . . . A 65 GLN HG2 . 25703 1 745 . 1 1 65 65 GLN HG3 H 1 2.248 0.016 . 2 . . . A 65 GLN HG3 . 25703 1 746 . 1 1 65 65 GLN CA C 13 59.524 0.150 . 1 . . . A 65 GLN CA . 25703 1 747 . 1 1 65 65 GLN CB C 13 28.802 0.083 . 1 . . . A 65 GLN CB . 25703 1 748 . 1 1 65 65 GLN CG C 13 32.501 0.122 . 1 . . . A 65 GLN CG . 25703 1 749 . 1 1 65 65 GLN N N 15 118.749 0.011 . 1 . . . A 65 GLN N . 25703 1 750 . 1 1 66 66 LYS H H 1 7.984 0.011 . 1 . . . A 66 LYS H . 25703 1 751 . 1 1 66 66 LYS HA H 1 4.033 0.016 . 1 . . . A 66 LYS HA . 25703 1 752 . 1 1 66 66 LYS HB2 H 1 1.828 0.013 . 2 . . . A 66 LYS HB2 . 25703 1 753 . 1 1 66 66 LYS HB3 H 1 1.778 0.013 . 2 . . . A 66 LYS HB3 . 25703 1 754 . 1 1 66 66 LYS HG3 H 1 1.451 0.020 . 1 . . . A 66 LYS HG3 . 25703 1 755 . 1 1 66 66 LYS HE3 H 1 2.793 0.002 . 1 . . . A 66 LYS HE3 . 25703 1 756 . 1 1 66 66 LYS C C 13 176.439 0.000 . 1 . . . A 66 LYS C . 25703 1 757 . 1 1 66 66 LYS CA C 13 59.276 0.025 . 1 . . . A 66 LYS CA . 25703 1 758 . 1 1 66 66 LYS CB C 13 32.706 0.054 . 1 . . . A 66 LYS CB . 25703 1 759 . 1 1 66 66 LYS CG C 13 25.669 0.067 . 1 . . . A 66 LYS CG . 25703 1 760 . 1 1 66 66 LYS CE C 13 42.244 0.003 . 1 . . . A 66 LYS CE . 25703 1 761 . 1 1 66 66 LYS N N 15 120.950 0.147 . 1 . . . A 66 LYS N . 25703 1 762 . 1 1 67 67 ASN H H 1 7.052 0.009 . 1 . . . A 67 ASN H . 25703 1 763 . 1 1 67 67 ASN HA H 1 4.698 0.025 . 1 . . . A 67 ASN HA . 25703 1 764 . 1 1 67 67 ASN HB2 H 1 2.781 0.013 . 2 . . . A 67 ASN HB2 . 25703 1 765 . 1 1 67 67 ASN HB3 H 1 2.093 0.022 . 2 . . . A 67 ASN HB3 . 25703 1 766 . 1 1 67 67 ASN HD21 H 1 7.563 0.010 . 1 . . . A 67 ASN HD21 . 25703 1 767 . 1 1 67 67 ASN HD22 H 1 6.103 0.007 . 1 . . . A 67 ASN HD22 . 25703 1 768 . 1 1 67 67 ASN C C 13 171.075 0.000 . 1 . . . A 67 ASN C . 25703 1 769 . 1 1 67 67 ASN CA C 13 54.555 0.000 . 1 . . . A 67 ASN CA . 25703 1 770 . 1 1 67 67 ASN CB C 13 40.572 0.063 . 1 . . . A 67 ASN CB . 25703 1 771 . 1 1 67 67 ASN N N 15 115.512 0.027 . 1 . . . A 67 ASN N . 25703 1 772 . 1 1 67 67 ASN ND2 N 15 114.796 0.021 . 1 . . . A 67 ASN ND2 . 25703 1 773 . 1 1 68 68 GLU H H 1 7.708 0.013 . 1 . . . A 68 GLU H . 25703 1 774 . 1 1 68 68 GLU HA H 1 3.724 0.016 . 1 . . . A 68 GLU HA . 25703 1 775 . 1 1 68 68 GLU HB2 H 1 1.941 0.005 . 2 . . . A 68 GLU HB2 . 25703 1 776 . 1 1 68 68 GLU HB3 H 1 2.061 0.006 . 2 . . . A 68 GLU HB3 . 25703 1 777 . 1 1 68 68 GLU HG2 H 1 2.297 0.002 . 2 . . . A 68 GLU HG2 . 25703 1 778 . 1 1 68 68 GLU HG3 H 1 2.380 0.010 . 2 . . . A 68 GLU HG3 . 25703 1 779 . 1 1 68 68 GLU C C 13 175.135 0.000 . 1 . . . A 68 GLU C . 25703 1 780 . 1 1 68 68 GLU CA C 13 57.472 0.019 . 1 . . . A 68 GLU CA . 25703 1 781 . 1 1 68 68 GLU CB C 13 27.320 0.103 . 1 . . . A 68 GLU CB . 25703 1 782 . 1 1 68 68 GLU CG C 13 34.125 0.139 . 1 . . . A 68 GLU CG . 25703 1 783 . 1 1 68 68 GLU N N 15 115.540 0.054 . 1 . . . A 68 GLU N . 25703 1 784 . 1 1 69 69 VAL H H 1 7.786 0.013 . 1 . . . A 69 VAL H . 25703 1 785 . 1 1 69 69 VAL HA H 1 3.891 0.008 . 1 . . . A 69 VAL HA . 25703 1 786 . 1 1 69 69 VAL HB H 1 1.412 0.011 . 1 . . . A 69 VAL HB . 25703 1 787 . 1 1 69 69 VAL HG11 H 1 0.466 0.017 . 2 . . . A 69 VAL HG11 . 25703 1 788 . 1 1 69 69 VAL HG12 H 1 0.466 0.017 . 2 . . . A 69 VAL HG12 . 25703 1 789 . 1 1 69 69 VAL HG13 H 1 0.466 0.017 . 2 . . . A 69 VAL HG13 . 25703 1 790 . 1 1 69 69 VAL HG21 H 1 -0.198 0.013 . 2 . . . A 69 VAL HG21 . 25703 1 791 . 1 1 69 69 VAL HG22 H 1 -0.198 0.013 . 2 . . . A 69 VAL HG22 . 25703 1 792 . 1 1 69 69 VAL HG23 H 1 -0.198 0.013 . 2 . . . A 69 VAL HG23 . 25703 1 793 . 1 1 69 69 VAL C C 13 174.845 0.000 . 1 . . . A 69 VAL C . 25703 1 794 . 1 1 69 69 VAL CA C 13 63.315 0.044 . 1 . . . A 69 VAL CA . 25703 1 795 . 1 1 69 69 VAL CB C 13 31.259 0.010 . 1 . . . A 69 VAL CB . 25703 1 796 . 1 1 69 69 VAL CG2 C 13 20.956 0.113 . 1 . . . A 69 VAL CG2 . 25703 1 797 . 1 1 69 69 VAL N N 15 121.037 0.011 . 1 . . . A 69 VAL N . 25703 1 798 . 1 1 70 70 SER H H 1 8.556 0.008 . 1 . . . A 70 SER H . 25703 1 799 . 1 1 70 70 SER HA H 1 4.453 0.004 . 1 . . . A 70 SER HA . 25703 1 800 . 1 1 70 70 SER HB2 H 1 3.579 0.004 . 2 . . . A 70 SER HB2 . 25703 1 801 . 1 1 70 70 SER HB3 H 1 3.822 0.009 . 2 . . . A 70 SER HB3 . 25703 1 802 . 1 1 70 70 SER C C 13 172.450 0.000 . 1 . . . A 70 SER C . 25703 1 803 . 1 1 70 70 SER CA C 13 58.194 0.030 . 1 . . . A 70 SER CA . 25703 1 804 . 1 1 70 70 SER CB C 13 65.148 0.020 . 1 . . . A 70 SER CB . 25703 1 805 . 1 1 70 70 SER N N 15 123.071 0.066 . 1 . . . A 70 SER N . 25703 1 806 . 1 1 71 71 ALA H H 1 7.884 0.007 . 1 . . . A 71 ALA H . 25703 1 807 . 1 1 71 71 ALA HA H 1 4.554 0.010 . 1 . . . A 71 ALA HA . 25703 1 808 . 1 1 71 71 ALA HB1 H 1 1.213 0.018 . 1 . . . A 71 ALA HB1 . 25703 1 809 . 1 1 71 71 ALA HB2 H 1 1.213 0.018 . 1 . . . A 71 ALA HB2 . 25703 1 810 . 1 1 71 71 ALA HB3 H 1 1.213 0.018 . 1 . . . A 71 ALA HB3 . 25703 1 811 . 1 1 71 71 ALA C C 13 175.018 0.000 . 1 . . . A 71 ALA C . 25703 1 812 . 1 1 71 71 ALA CA C 13 51.898 0.008 . 1 . . . A 71 ALA CA . 25703 1 813 . 1 1 71 71 ALA CB C 13 21.560 0.044 . 1 . . . A 71 ALA CB . 25703 1 814 . 1 1 71 71 ALA N N 15 127.000 0.071 . 1 . . . A 71 ALA N . 25703 1 815 . 1 1 72 72 MET H H 1 8.664 0.008 . 1 . . . A 72 MET H . 25703 1 816 . 1 1 72 72 MET HA H 1 4.827 0.001 . 1 . . . A 72 MET HA . 25703 1 817 . 1 1 72 72 MET HB2 H 1 1.696 0.011 . 2 . . . A 72 MET HB2 . 25703 1 818 . 1 1 72 72 MET HB3 H 1 1.582 0.006 . 2 . . . A 72 MET HB3 . 25703 1 819 . 1 1 72 72 MET HE1 H 1 2.036 0.008 . 1 . . . A 72 MET HE1 . 25703 1 820 . 1 1 72 72 MET HE2 H 1 2.036 0.008 . 1 . . . A 72 MET HE2 . 25703 1 821 . 1 1 72 72 MET HE3 H 1 2.036 0.008 . 1 . . . A 72 MET HE3 . 25703 1 822 . 1 1 72 72 MET CA C 13 57.888 0.062 . 1 . . . A 72 MET CA . 25703 1 823 . 1 1 72 72 MET CB C 13 36.102 0.003 . 1 . . . A 72 MET CB . 25703 1 824 . 1 1 72 72 MET CE C 13 17.522 0.012 . 1 . . . A 72 MET CE . 25703 1 825 . 1 1 72 72 MET N N 15 120.240 0.015 . 1 . . . A 72 MET N . 25703 1 826 . 1 1 73 73 PRO HA H 1 4.988 0.011 . 1 . . . A 73 PRO HA . 25703 1 827 . 1 1 73 73 PRO HB2 H 1 2.669 0.006 . 1 . . . A 73 PRO HB2 . 25703 1 828 . 1 1 73 73 PRO HB3 H 1 2.674 0.000 . 1 . . . A 73 PRO HB3 . 25703 1 829 . 1 1 73 73 PRO C C 13 175.162 0.000 . 1 . . . A 73 PRO C . 25703 1 830 . 1 1 73 73 PRO CA C 13 64.042 0.000 . 1 . . . A 73 PRO CA . 25703 1 831 . 1 1 73 73 PRO CB C 13 35.151 0.000 . 1 . . . A 73 PRO CB . 25703 1 832 . 1 1 74 74 THR H H 1 7.490 0.013 . 1 . . . A 74 THR H . 25703 1 833 . 1 1 74 74 THR HA H 1 4.995 0.015 . 1 . . . A 74 THR HA . 25703 1 834 . 1 1 74 74 THR HB H 1 3.731 0.010 . 1 . . . A 74 THR HB . 25703 1 835 . 1 1 74 74 THR HG21 H 1 0.952 0.019 . 1 . . . A 74 THR HG21 . 25703 1 836 . 1 1 74 74 THR HG22 H 1 0.952 0.019 . 1 . . . A 74 THR HG22 . 25703 1 837 . 1 1 74 74 THR HG23 H 1 0.952 0.019 . 1 . . . A 74 THR HG23 . 25703 1 838 . 1 1 74 74 THR C C 13 170.891 0.000 . 1 . . . A 74 THR C . 25703 1 839 . 1 1 74 74 THR CA C 13 63.926 0.153 . 1 . . . A 74 THR CA . 25703 1 840 . 1 1 74 74 THR CB C 13 73.856 0.077 . 1 . . . A 74 THR CB . 25703 1 841 . 1 1 74 74 THR CG2 C 13 22.443 0.019 . 1 . . . A 74 THR CG2 . 25703 1 842 . 1 1 74 74 THR N N 15 114.942 0.031 . 1 . . . A 74 THR N . 25703 1 843 . 1 1 75 75 LEU H H 1 9.427 0.013 . 1 . . . A 75 LEU H . 25703 1 844 . 1 1 75 75 LEU HA H 1 5.493 0.015 . 1 . . . A 75 LEU HA . 25703 1 845 . 1 1 75 75 LEU HB3 H 1 1.588 0.011 . 1 . . . A 75 LEU HB3 . 25703 1 846 . 1 1 75 75 LEU HD11 H 1 0.877 0.036 . 2 . . . A 75 LEU HD11 . 25703 1 847 . 1 1 75 75 LEU HD12 H 1 0.877 0.036 . 2 . . . A 75 LEU HD12 . 25703 1 848 . 1 1 75 75 LEU HD13 H 1 0.877 0.036 . 2 . . . A 75 LEU HD13 . 25703 1 849 . 1 1 75 75 LEU HD21 H 1 0.909 0.010 . 2 . . . A 75 LEU HD21 . 25703 1 850 . 1 1 75 75 LEU HD22 H 1 0.909 0.010 . 2 . . . A 75 LEU HD22 . 25703 1 851 . 1 1 75 75 LEU HD23 H 1 0.909 0.010 . 2 . . . A 75 LEU HD23 . 25703 1 852 . 1 1 75 75 LEU C C 13 174.331 0.000 . 1 . . . A 75 LEU C . 25703 1 853 . 1 1 75 75 LEU CA C 13 53.852 0.069 . 1 . . . A 75 LEU CA . 25703 1 854 . 1 1 75 75 LEU CB C 13 45.160 0.067 . 1 . . . A 75 LEU CB . 25703 1 855 . 1 1 75 75 LEU CD1 C 13 24.576 0.029 . 2 . . . A 75 LEU CD1 . 25703 1 856 . 1 1 75 75 LEU CD2 C 13 24.643 0.000 . 2 . . . A 75 LEU CD2 . 25703 1 857 . 1 1 75 75 LEU N N 15 132.149 0.030 . 1 . . . A 75 LEU N . 25703 1 858 . 1 1 76 76 LEU H H 1 9.240 0.014 . 1 . . . A 76 LEU H . 25703 1 859 . 1 1 76 76 LEU HA H 1 4.932 0.017 . 1 . . . A 76 LEU HA . 25703 1 860 . 1 1 76 76 LEU HB3 H 1 1.912 0.015 . 1 . . . A 76 LEU HB3 . 25703 1 861 . 1 1 76 76 LEU HG H 1 1.553 0.016 . 1 . . . A 76 LEU HG . 25703 1 862 . 1 1 76 76 LEU HD11 H 1 0.910 0.003 . 2 . . . A 76 LEU HD11 . 25703 1 863 . 1 1 76 76 LEU HD12 H 1 0.910 0.003 . 2 . . . A 76 LEU HD12 . 25703 1 864 . 1 1 76 76 LEU HD13 H 1 0.910 0.003 . 2 . . . A 76 LEU HD13 . 25703 1 865 . 1 1 76 76 LEU HD21 H 1 0.811 0.011 . 2 . . . A 76 LEU HD21 . 25703 1 866 . 1 1 76 76 LEU HD22 H 1 0.811 0.011 . 2 . . . A 76 LEU HD22 . 25703 1 867 . 1 1 76 76 LEU HD23 H 1 0.811 0.011 . 2 . . . A 76 LEU HD23 . 25703 1 868 . 1 1 76 76 LEU C C 13 173.732 0.000 . 1 . . . A 76 LEU C . 25703 1 869 . 1 1 76 76 LEU CA C 13 54.032 0.036 . 1 . . . A 76 LEU CA . 25703 1 870 . 1 1 76 76 LEU CB C 13 46.726 0.021 . 1 . . . A 76 LEU CB . 25703 1 871 . 1 1 76 76 LEU CG C 13 28.125 0.142 . 1 . . . A 76 LEU CG . 25703 1 872 . 1 1 76 76 LEU CD1 C 13 24.614 0.015 . 2 . . . A 76 LEU CD1 . 25703 1 873 . 1 1 76 76 LEU CD2 C 13 24.575 0.047 . 2 . . . A 76 LEU CD2 . 25703 1 874 . 1 1 76 76 LEU N N 15 124.814 0.027 . 1 . . . A 76 LEU N . 25703 1 875 . 1 1 77 77 LEU H H 1 8.175 0.015 . 1 . . . A 77 LEU H . 25703 1 876 . 1 1 77 77 LEU HA H 1 5.251 0.009 . 1 . . . A 77 LEU HA . 25703 1 877 . 1 1 77 77 LEU HB2 H 1 1.328 0.021 . 2 . . . A 77 LEU HB2 . 25703 1 878 . 1 1 77 77 LEU HB3 H 1 1.256 0.010 . 2 . . . A 77 LEU HB3 . 25703 1 879 . 1 1 77 77 LEU HG H 1 1.554 0.024 . 1 . . . A 77 LEU HG . 25703 1 880 . 1 1 77 77 LEU HD11 H 1 0.545 0.013 . 2 . . . A 77 LEU HD11 . 25703 1 881 . 1 1 77 77 LEU HD12 H 1 0.545 0.013 . 2 . . . A 77 LEU HD12 . 25703 1 882 . 1 1 77 77 LEU HD13 H 1 0.545 0.013 . 2 . . . A 77 LEU HD13 . 25703 1 883 . 1 1 77 77 LEU HD21 H 1 0.559 0.020 . 2 . . . A 77 LEU HD21 . 25703 1 884 . 1 1 77 77 LEU HD22 H 1 0.559 0.020 . 2 . . . A 77 LEU HD22 . 25703 1 885 . 1 1 77 77 LEU HD23 H 1 0.559 0.020 . 2 . . . A 77 LEU HD23 . 25703 1 886 . 1 1 77 77 LEU C C 13 174.442 0.000 . 1 . . . A 77 LEU C . 25703 1 887 . 1 1 77 77 LEU CA C 13 55.087 0.069 . 1 . . . A 77 LEU CA . 25703 1 888 . 1 1 77 77 LEU CB C 13 43.250 0.035 . 1 . . . A 77 LEU CB . 25703 1 889 . 1 1 77 77 LEU CG C 13 28.884 0.191 . 1 . . . A 77 LEU CG . 25703 1 890 . 1 1 77 77 LEU CD1 C 13 28.336 0.059 . 1 . . . A 77 LEU CD1 . 25703 1 891 . 1 1 77 77 LEU CD2 C 13 28.360 0.025 . 1 . . . A 77 LEU CD2 . 25703 1 892 . 1 1 77 77 LEU N N 15 123.770 0.017 . 1 . . . A 77 LEU N . 25703 1 893 . 1 1 78 78 PHE H H 1 9.742 0.013 . 1 . . . A 78 PHE H . 25703 1 894 . 1 1 78 78 PHE HA H 1 5.397 0.006 . 1 . . . A 78 PHE HA . 25703 1 895 . 1 1 78 78 PHE HB2 H 1 2.792 0.016 . 2 . . . A 78 PHE HB2 . 25703 1 896 . 1 1 78 78 PHE HB3 H 1 2.770 0.018 . 2 . . . A 78 PHE HB3 . 25703 1 897 . 1 1 78 78 PHE HD1 H 1 6.786 0.013 . 1 . . . A 78 PHE HD1 . 25703 1 898 . 1 1 78 78 PHE HD2 H 1 6.786 0.013 . 1 . . . A 78 PHE HD2 . 25703 1 899 . 1 1 78 78 PHE HE1 H 1 7.247 0.017 . 1 . . . A 78 PHE HE1 . 25703 1 900 . 1 1 78 78 PHE HE2 H 1 7.247 0.017 . 1 . . . A 78 PHE HE2 . 25703 1 901 . 1 1 78 78 PHE C C 13 173.920 0.000 . 1 . . . A 78 PHE C . 25703 1 902 . 1 1 78 78 PHE CA C 13 56.867 0.033 . 1 . . . A 78 PHE CA . 25703 1 903 . 1 1 78 78 PHE CB C 13 44.858 0.029 . 1 . . . A 78 PHE CB . 25703 1 904 . 1 1 78 78 PHE CD1 C 13 131.957 0.000 . 1 . . . A 78 PHE CD1 . 25703 1 905 . 1 1 78 78 PHE CD2 C 13 131.957 0.000 . 1 . . . A 78 PHE CD2 . 25703 1 906 . 1 1 78 78 PHE CE1 C 13 132.518 0.000 . 1 . . . A 78 PHE CE1 . 25703 1 907 . 1 1 78 78 PHE CE2 C 13 132.518 0.000 . 1 . . . A 78 PHE CE2 . 25703 1 908 . 1 1 78 78 PHE N N 15 122.975 0.016 . 1 . . . A 78 PHE N . 25703 1 909 . 1 1 79 79 LYS H H 1 8.745 0.013 . 1 . . . A 79 LYS H . 25703 1 910 . 1 1 79 79 LYS HA H 1 4.817 0.016 . 1 . . . A 79 LYS HA . 25703 1 911 . 1 1 79 79 LYS HB2 H 1 1.581 0.014 . 2 . . . A 79 LYS HB2 . 25703 1 912 . 1 1 79 79 LYS HB3 H 1 1.657 0.017 . 2 . . . A 79 LYS HB3 . 25703 1 913 . 1 1 79 79 LYS HG3 H 1 1.163 0.015 . 1 . . . A 79 LYS HG3 . 25703 1 914 . 1 1 79 79 LYS HE3 H 1 2.964 0.000 . 1 . . . A 79 LYS HE3 . 25703 1 915 . 1 1 79 79 LYS C C 13 177.194 0.000 . 1 . . . A 79 LYS C . 25703 1 916 . 1 1 79 79 LYS CA C 13 57.980 0.134 . 1 . . . A 79 LYS CA . 25703 1 917 . 1 1 79 79 LYS CB C 13 37.031 0.123 . 1 . . . A 79 LYS CB . 25703 1 918 . 1 1 79 79 LYS CG C 13 25.434 0.000 . 1 . . . A 79 LYS CG . 25703 1 919 . 1 1 79 79 LYS CE C 13 42.365 0.000 . 1 . . . A 79 LYS CE . 25703 1 920 . 1 1 79 79 LYS N N 15 118.164 0.028 . 1 . . . A 79 LYS N . 25703 1 921 . 1 1 80 80 ASN H H 1 8.893 0.012 . 1 . . . A 80 ASN H . 25703 1 922 . 1 1 80 80 ASN HA H 1 4.291 0.014 . 1 . . . A 80 ASN HA . 25703 1 923 . 1 1 80 80 ASN HB2 H 1 3.052 0.013 . 2 . . . A 80 ASN HB2 . 25703 1 924 . 1 1 80 80 ASN HB3 H 1 2.608 0.010 . 2 . . . A 80 ASN HB3 . 25703 1 925 . 1 1 80 80 ASN HD21 H 1 7.354 0.002 . 1 . . . A 80 ASN HD21 . 25703 1 926 . 1 1 80 80 ASN HD22 H 1 6.880 0.004 . 1 . . . A 80 ASN HD22 . 25703 1 927 . 1 1 80 80 ASN C C 13 174.868 0.000 . 1 . . . A 80 ASN C . 25703 1 928 . 1 1 80 80 ASN CA C 13 54.925 0.026 . 1 . . . A 80 ASN CA . 25703 1 929 . 1 1 80 80 ASN CB C 13 38.055 0.016 . 1 . . . A 80 ASN CB . 25703 1 930 . 1 1 80 80 ASN N N 15 126.660 0.031 . 1 . . . A 80 ASN N . 25703 1 931 . 1 1 80 80 ASN ND2 N 15 112.252 0.021 . 1 . . . A 80 ASN ND2 . 25703 1 932 . 1 1 81 81 GLY H H 1 8.639 0.016 . 1 . . . A 81 GLY H . 25703 1 933 . 1 1 81 81 GLY HA2 H 1 3.345 0.009 . 2 . . . A 81 GLY HA2 . 25703 1 934 . 1 1 81 81 GLY HA3 H 1 4.094 0.020 . 2 . . . A 81 GLY HA3 . 25703 1 935 . 1 1 81 81 GLY C C 13 172.724 0.000 . 1 . . . A 81 GLY C . 25703 1 936 . 1 1 81 81 GLY CA C 13 46.145 0.020 . 1 . . . A 81 GLY CA . 25703 1 937 . 1 1 81 81 GLY N N 15 103.991 0.021 . 1 . . . A 81 GLY N . 25703 1 938 . 1 1 82 82 LYS H H 1 7.576 0.010 . 1 . . . A 82 LYS H . 25703 1 939 . 1 1 82 82 LYS HA H 1 4.937 0.007 . 1 . . . A 82 LYS HA . 25703 1 940 . 1 1 82 82 LYS HB2 H 1 1.696 0.019 . 2 . . . A 82 LYS HB2 . 25703 1 941 . 1 1 82 82 LYS HB3 H 1 1.785 0.001 . 2 . . . A 82 LYS HB3 . 25703 1 942 . 1 1 82 82 LYS HG3 H 1 1.369 0.020 . 1 . . . A 82 LYS HG3 . 25703 1 943 . 1 1 82 82 LYS HD2 H 1 1.731 0.005 . 2 . . . A 82 LYS HD2 . 25703 1 944 . 1 1 82 82 LYS HD3 H 1 1.729 0.002 . 2 . . . A 82 LYS HD3 . 25703 1 945 . 1 1 82 82 LYS HE3 H 1 3.001 0.004 . 1 . . . A 82 LYS HE3 . 25703 1 946 . 1 1 82 82 LYS C C 13 174.364 0.000 . 1 . . . A 82 LYS C . 25703 1 947 . 1 1 82 82 LYS CA C 13 55.602 0.000 . 1 . . . A 82 LYS CA . 25703 1 948 . 1 1 82 82 LYS CB C 13 35.830 0.136 . 1 . . . A 82 LYS CB . 25703 1 949 . 1 1 82 82 LYS CG C 13 24.827 0.000 . 1 . . . A 82 LYS CG . 25703 1 950 . 1 1 82 82 LYS CD C 13 28.753 0.094 . 1 . . . A 82 LYS CD . 25703 1 951 . 1 1 82 82 LYS CE C 13 42.209 0.000 . 1 . . . A 82 LYS CE . 25703 1 952 . 1 1 82 82 LYS N N 15 120.266 0.021 . 1 . . . A 82 LYS N . 25703 1 953 . 1 1 83 83 GLU H H 1 8.819 0.010 . 1 . . . A 83 GLU H . 25703 1 954 . 1 1 83 83 GLU HA H 1 3.867 0.027 . 1 . . . A 83 GLU HA . 25703 1 955 . 1 1 83 83 GLU HB2 H 1 1.703 0.020 . 2 . . . A 83 GLU HB2 . 25703 1 956 . 1 1 83 83 GLU HB3 H 1 1.704 0.024 . 2 . . . A 83 GLU HB3 . 25703 1 957 . 1 1 83 83 GLU C C 13 176.728 0.000 . 1 . . . A 83 GLU C . 25703 1 958 . 1 1 83 83 GLU CA C 13 57.345 0.077 . 1 . . . A 83 GLU CA . 25703 1 959 . 1 1 83 83 GLU CB C 13 30.927 0.001 . 1 . . . A 83 GLU CB . 25703 1 960 . 1 1 83 83 GLU N N 15 126.445 0.030 . 1 . . . A 83 GLU N . 25703 1 961 . 1 1 84 84 VAL H H 1 9.258 0.013 . 1 . . . A 84 VAL H . 25703 1 962 . 1 1 84 84 VAL HA H 1 4.417 0.013 . 1 . . . A 84 VAL HA . 25703 1 963 . 1 1 84 84 VAL HB H 1 2.096 0.016 . 1 . . . A 84 VAL HB . 25703 1 964 . 1 1 84 84 VAL HG11 H 1 0.445 0.017 . 2 . . . A 84 VAL HG11 . 25703 1 965 . 1 1 84 84 VAL HG12 H 1 0.445 0.017 . 2 . . . A 84 VAL HG12 . 25703 1 966 . 1 1 84 84 VAL HG13 H 1 0.445 0.017 . 2 . . . A 84 VAL HG13 . 25703 1 967 . 1 1 84 84 VAL HG21 H 1 0.839 0.021 . 2 . . . A 84 VAL HG21 . 25703 1 968 . 1 1 84 84 VAL HG22 H 1 0.839 0.021 . 2 . . . A 84 VAL HG22 . 25703 1 969 . 1 1 84 84 VAL HG23 H 1 0.839 0.021 . 2 . . . A 84 VAL HG23 . 25703 1 970 . 1 1 84 84 VAL C C 13 175.128 0.000 . 1 . . . A 84 VAL C . 25703 1 971 . 1 1 84 84 VAL CA C 13 61.453 0.048 . 1 . . . A 84 VAL CA . 25703 1 972 . 1 1 84 84 VAL CB C 13 33.692 0.068 . 1 . . . A 84 VAL CB . 25703 1 973 . 1 1 84 84 VAL CG1 C 13 19.059 0.053 . 2 . . . A 84 VAL CG1 . 25703 1 974 . 1 1 84 84 VAL CG2 C 13 21.892 0.077 . 2 . . . A 84 VAL CG2 . 25703 1 975 . 1 1 84 84 VAL N N 15 123.147 0.043 . 1 . . . A 84 VAL N . 25703 1 976 . 1 1 85 85 ALA H H 1 7.573 0.015 . 1 . . . A 85 ALA H . 25703 1 977 . 1 1 85 85 ALA HA H 1 4.414 0.012 . 1 . . . A 85 ALA HA . 25703 1 978 . 1 1 85 85 ALA HB1 H 1 1.255 0.018 . 1 . . . A 85 ALA HB1 . 25703 1 979 . 1 1 85 85 ALA HB2 H 1 1.255 0.018 . 1 . . . A 85 ALA HB2 . 25703 1 980 . 1 1 85 85 ALA HB3 H 1 1.255 0.018 . 1 . . . A 85 ALA HB3 . 25703 1 981 . 1 1 85 85 ALA C C 13 173.291 0.000 . 1 . . . A 85 ALA C . 25703 1 982 . 1 1 85 85 ALA CA C 13 53.133 0.026 . 1 . . . A 85 ALA CA . 25703 1 983 . 1 1 85 85 ALA CB C 13 22.544 0.140 . 1 . . . A 85 ALA CB . 25703 1 984 . 1 1 85 85 ALA N N 15 122.281 0.016 . 1 . . . A 85 ALA N . 25703 1 985 . 1 1 86 86 LYS H H 1 8.014 0.022 . 1 . . . A 86 LYS H . 25703 1 986 . 1 1 86 86 LYS HA H 1 4.933 0.013 . 1 . . . A 86 LYS HA . 25703 1 987 . 1 1 86 86 LYS HB2 H 1 1.652 0.027 . 2 . . . A 86 LYS HB2 . 25703 1 988 . 1 1 86 86 LYS HB3 H 1 1.573 0.011 . 2 . . . A 86 LYS HB3 . 25703 1 989 . 1 1 86 86 LYS HG2 H 1 0.953 0.036 . 2 . . . A 86 LYS HG2 . 25703 1 990 . 1 1 86 86 LYS HG3 H 1 0.994 0.007 . 2 . . . A 86 LYS HG3 . 25703 1 991 . 1 1 86 86 LYS HE3 H 1 2.822 0.006 . 1 . . . A 86 LYS HE3 . 25703 1 992 . 1 1 86 86 LYS C C 13 174.506 0.000 . 1 . . . A 86 LYS C . 25703 1 993 . 1 1 86 86 LYS CA C 13 55.860 0.040 . 1 . . . A 86 LYS CA . 25703 1 994 . 1 1 86 86 LYS CB C 13 35.979 0.060 . 1 . . . A 86 LYS CB . 25703 1 995 . 1 1 86 86 LYS CG C 13 24.794 0.118 . 1 . . . A 86 LYS CG . 25703 1 996 . 1 1 86 86 LYS CE C 13 42.480 0.017 . 1 . . . A 86 LYS CE . 25703 1 997 . 1 1 86 86 LYS N N 15 120.704 0.196 . 1 . . . A 86 LYS N . 25703 1 998 . 1 1 87 87 VAL H H 1 9.186 0.019 . 1 . . . A 87 VAL H . 25703 1 999 . 1 1 87 87 VAL HA H 1 4.276 0.012 . 1 . . . A 87 VAL HA . 25703 1 1000 . 1 1 87 87 VAL HB H 1 1.882 0.015 . 1 . . . A 87 VAL HB . 25703 1 1001 . 1 1 87 87 VAL HG11 H 1 0.814 0.031 . 2 . . . A 87 VAL HG11 . 25703 1 1002 . 1 1 87 87 VAL HG12 H 1 0.814 0.031 . 2 . . . A 87 VAL HG12 . 25703 1 1003 . 1 1 87 87 VAL HG13 H 1 0.814 0.031 . 2 . . . A 87 VAL HG13 . 25703 1 1004 . 1 1 87 87 VAL HG21 H 1 0.684 0.045 . 2 . . . A 87 VAL HG21 . 25703 1 1005 . 1 1 87 87 VAL HG22 H 1 0.684 0.045 . 2 . . . A 87 VAL HG22 . 25703 1 1006 . 1 1 87 87 VAL HG23 H 1 0.684 0.045 . 2 . . . A 87 VAL HG23 . 25703 1 1007 . 1 1 87 87 VAL C C 13 174.002 0.000 . 1 . . . A 87 VAL C . 25703 1 1008 . 1 1 87 87 VAL CA C 13 62.070 0.110 . 1 . . . A 87 VAL CA . 25703 1 1009 . 1 1 87 87 VAL CB C 13 34.958 0.023 . 1 . . . A 87 VAL CB . 25703 1 1010 . 1 1 87 87 VAL CG1 C 13 21.808 0.258 . 2 . . . A 87 VAL CG1 . 25703 1 1011 . 1 1 87 87 VAL CG2 C 13 20.884 0.022 . 2 . . . A 87 VAL CG2 . 25703 1 1012 . 1 1 87 87 VAL N N 15 126.817 0.032 . 1 . . . A 87 VAL N . 25703 1 1013 . 1 1 88 88 VAL H H 1 9.026 0.007 . 1 . . . A 88 VAL H . 25703 1 1014 . 1 1 88 88 VAL HA H 1 4.446 0.026 . 1 . . . A 88 VAL HA . 25703 1 1015 . 1 1 88 88 VAL HB H 1 1.911 0.014 . 1 . . . A 88 VAL HB . 25703 1 1016 . 1 1 88 88 VAL HG11 H 1 0.661 0.006 . 2 . . . A 88 VAL HG11 . 25703 1 1017 . 1 1 88 88 VAL HG12 H 1 0.661 0.006 . 2 . . . A 88 VAL HG12 . 25703 1 1018 . 1 1 88 88 VAL HG13 H 1 0.661 0.006 . 2 . . . A 88 VAL HG13 . 25703 1 1019 . 1 1 88 88 VAL HG21 H 1 0.892 0.015 . 2 . . . A 88 VAL HG21 . 25703 1 1020 . 1 1 88 88 VAL HG22 H 1 0.892 0.015 . 2 . . . A 88 VAL HG22 . 25703 1 1021 . 1 1 88 88 VAL HG23 H 1 0.892 0.015 . 2 . . . A 88 VAL HG23 . 25703 1 1022 . 1 1 88 88 VAL C C 13 175.594 0.000 . 1 . . . A 88 VAL C . 25703 1 1023 . 1 1 88 88 VAL CA C 13 62.462 0.018 . 1 . . . A 88 VAL CA . 25703 1 1024 . 1 1 88 88 VAL CB C 13 33.275 0.010 . 1 . . . A 88 VAL CB . 25703 1 1025 . 1 1 88 88 VAL CG1 C 13 20.976 0.407 . 2 . . . A 88 VAL CG1 . 25703 1 1026 . 1 1 88 88 VAL CG2 C 13 21.181 0.054 . 2 . . . A 88 VAL CG2 . 25703 1 1027 . 1 1 88 88 VAL N N 15 129.683 0.019 . 1 . . . A 88 VAL N . 25703 1 1028 . 1 1 89 89 GLY H H 1 8.298 0.011 . 1 . . . A 89 GLY H . 25703 1 1029 . 1 1 89 89 GLY HA2 H 1 3.613 0.010 . 2 . . . A 89 GLY HA2 . 25703 1 1030 . 1 1 89 89 GLY HA3 H 1 4.474 0.016 . 2 . . . A 89 GLY HA3 . 25703 1 1031 . 1 1 89 89 GLY CA C 13 44.014 0.020 . 1 . . . A 89 GLY CA . 25703 1 1032 . 1 1 89 89 GLY N N 15 114.918 0.035 . 1 . . . A 89 GLY N . 25703 1 1033 . 1 1 90 90 ALA HA H 1 4.227 0.007 . 1 . . . A 90 ALA HA . 25703 1 1034 . 1 1 90 90 ALA HB1 H 1 1.244 0.008 . 1 . . . A 90 ALA HB1 . 25703 1 1035 . 1 1 90 90 ALA HB2 H 1 1.244 0.008 . 1 . . . A 90 ALA HB2 . 25703 1 1036 . 1 1 90 90 ALA HB3 H 1 1.244 0.008 . 1 . . . A 90 ALA HB3 . 25703 1 1037 . 1 1 90 90 ALA C C 13 174.279 0.000 . 1 . . . A 90 ALA C . 25703 1 1038 . 1 1 90 90 ALA CA C 13 50.915 0.062 . 1 . . . A 90 ALA CA . 25703 1 1039 . 1 1 90 90 ALA CB C 13 18.480 0.063 . 1 . . . A 90 ALA CB . 25703 1 1040 . 1 1 91 91 ASN H H 1 7.360 0.016 . 1 . . . A 91 ASN H . 25703 1 1041 . 1 1 91 91 ASN HA H 1 5.114 0.008 . 1 . . . A 91 ASN HA . 25703 1 1042 . 1 1 91 91 ASN HB2 H 1 2.589 0.014 . 2 . . . A 91 ASN HB2 . 25703 1 1043 . 1 1 91 91 ASN HB3 H 1 2.881 0.008 . 2 . . . A 91 ASN HB3 . 25703 1 1044 . 1 1 91 91 ASN HD21 H 1 7.711 0.003 . 1 . . . A 91 ASN HD21 . 25703 1 1045 . 1 1 91 91 ASN HD22 H 1 7.067 0.005 . 1 . . . A 91 ASN HD22 . 25703 1 1046 . 1 1 91 91 ASN CA C 13 50.500 0.033 . 1 . . . A 91 ASN CA . 25703 1 1047 . 1 1 91 91 ASN CB C 13 39.514 0.066 . 1 . . . A 91 ASN CB . 25703 1 1048 . 1 1 91 91 ASN N N 15 121.022 0.007 . 1 . . . A 91 ASN N . 25703 1 1049 . 1 1 91 91 ASN ND2 N 15 113.545 0.027 . 1 . . . A 91 ASN ND2 . 25703 1 1050 . 1 1 92 92 PRO HA H 1 4.116 0.022 . 1 . . . A 92 PRO HA . 25703 1 1051 . 1 1 92 92 PRO HG3 H 1 1.892 0.021 . 1 . . . A 92 PRO HG3 . 25703 1 1052 . 1 1 92 92 PRO HD2 H 1 3.814 0.012 . 2 . . . A 92 PRO HD2 . 25703 1 1053 . 1 1 92 92 PRO HD3 H 1 3.995 0.002 . 2 . . . A 92 PRO HD3 . 25703 1 1054 . 1 1 92 92 PRO CA C 13 63.392 0.023 . 1 . . . A 92 PRO CA . 25703 1 1055 . 1 1 92 92 PRO CG C 13 27.764 0.317 . 1 . . . A 92 PRO CG . 25703 1 1056 . 1 1 92 92 PRO CD C 13 51.213 0.018 . 1 . . . A 92 PRO CD . 25703 1 1057 . 1 1 93 93 ALA HA H 1 4.074 0.026 . 1 . . . A 93 ALA HA . 25703 1 1058 . 1 1 93 93 ALA HB1 H 1 1.391 0.024 . 1 . . . A 93 ALA HB1 . 25703 1 1059 . 1 1 93 93 ALA HB2 H 1 1.391 0.024 . 1 . . . A 93 ALA HB2 . 25703 1 1060 . 1 1 93 93 ALA HB3 H 1 1.391 0.024 . 1 . . . A 93 ALA HB3 . 25703 1 1061 . 1 1 93 93 ALA C C 13 179.673 0.000 . 1 . . . A 93 ALA C . 25703 1 1062 . 1 1 93 93 ALA CA C 13 55.353 0.602 . 1 . . . A 93 ALA CA . 25703 1 1063 . 1 1 93 93 ALA CB C 13 18.455 0.023 . 1 . . . A 93 ALA CB . 25703 1 1064 . 1 1 94 94 ALA H H 1 7.228 0.009 . 1 . . . A 94 ALA H . 25703 1 1065 . 1 1 94 94 ALA HA H 1 4.064 0.021 . 1 . . . A 94 ALA HA . 25703 1 1066 . 1 1 94 94 ALA HB1 H 1 1.374 0.007 . 1 . . . A 94 ALA HB1 . 25703 1 1067 . 1 1 94 94 ALA HB2 H 1 1.374 0.007 . 1 . . . A 94 ALA HB2 . 25703 1 1068 . 1 1 94 94 ALA HB3 H 1 1.374 0.007 . 1 . . . A 94 ALA HB3 . 25703 1 1069 . 1 1 94 94 ALA C C 13 180.373 0.000 . 1 . . . A 94 ALA C . 25703 1 1070 . 1 1 94 94 ALA CA C 13 55.418 0.316 . 1 . . . A 94 ALA CA . 25703 1 1071 . 1 1 94 94 ALA CB C 13 19.268 0.026 . 1 . . . A 94 ALA CB . 25703 1 1072 . 1 1 94 94 ALA N N 15 121.514 0.010 . 1 . . . A 94 ALA N . 25703 1 1073 . 1 1 95 95 ILE H H 1 7.738 0.013 . 1 . . . A 95 ILE H . 25703 1 1074 . 1 1 95 95 ILE HA H 1 3.358 0.009 . 1 . . . A 95 ILE HA . 25703 1 1075 . 1 1 95 95 ILE HB H 1 1.898 0.020 . 1 . . . A 95 ILE HB . 25703 1 1076 . 1 1 95 95 ILE HG13 H 1 0.847 0.032 . 1 . . . A 95 ILE HG13 . 25703 1 1077 . 1 1 95 95 ILE HG21 H 1 0.750 0.015 . 1 . . . A 95 ILE HG21 . 25703 1 1078 . 1 1 95 95 ILE HG22 H 1 0.750 0.015 . 1 . . . A 95 ILE HG22 . 25703 1 1079 . 1 1 95 95 ILE HG23 H 1 0.750 0.015 . 1 . . . A 95 ILE HG23 . 25703 1 1080 . 1 1 95 95 ILE HD11 H 1 0.766 0.010 . 1 . . . A 95 ILE HD11 . 25703 1 1081 . 1 1 95 95 ILE HD12 H 1 0.766 0.010 . 1 . . . A 95 ILE HD12 . 25703 1 1082 . 1 1 95 95 ILE HD13 H 1 0.766 0.010 . 1 . . . A 95 ILE HD13 . 25703 1 1083 . 1 1 95 95 ILE C C 13 175.639 0.000 . 1 . . . A 95 ILE C . 25703 1 1084 . 1 1 95 95 ILE CA C 13 66.564 0.044 . 1 . . . A 95 ILE CA . 25703 1 1085 . 1 1 95 95 ILE CB C 13 38.854 0.070 . 1 . . . A 95 ILE CB . 25703 1 1086 . 1 1 95 95 ILE CG1 C 13 22.378 0.197 . 1 . . . A 95 ILE CG1 . 25703 1 1087 . 1 1 95 95 ILE CG2 C 13 18.293 0.037 . 1 . . . A 95 ILE CG2 . 25703 1 1088 . 1 1 95 95 ILE CD1 C 13 21.894 0.005 . 1 . . . A 95 ILE CD1 . 25703 1 1089 . 1 1 95 95 ILE N N 15 120.330 0.023 . 1 . . . A 95 ILE N . 25703 1 1090 . 1 1 96 96 LYS H H 1 8.087 0.014 . 1 . . . A 96 LYS H . 25703 1 1091 . 1 1 96 96 LYS HA H 1 3.144 0.014 . 1 . . . A 96 LYS HA . 25703 1 1092 . 1 1 96 96 LYS HB3 H 1 1.712 0.013 . 1 . . . A 96 LYS HB3 . 25703 1 1093 . 1 1 96 96 LYS HG2 H 1 1.167 0.011 . 2 . . . A 96 LYS HG2 . 25703 1 1094 . 1 1 96 96 LYS HG3 H 1 1.229 0.022 . 2 . . . A 96 LYS HG3 . 25703 1 1095 . 1 1 96 96 LYS HD2 H 1 1.543 0.000 . 2 . . . A 96 LYS HD2 . 25703 1 1096 . 1 1 96 96 LYS HD3 H 1 1.633 0.015 . 2 . . . A 96 LYS HD3 . 25703 1 1097 . 1 1 96 96 LYS HE3 H 1 2.807 0.000 . 1 . . . A 96 LYS HE3 . 25703 1 1098 . 1 1 96 96 LYS C C 13 177.288 0.000 . 1 . . . A 96 LYS C . 25703 1 1099 . 1 1 96 96 LYS CA C 13 60.420 0.063 . 1 . . . A 96 LYS CA . 25703 1 1100 . 1 1 96 96 LYS CB C 13 32.612 0.000 . 1 . . . A 96 LYS CB . 25703 1 1101 . 1 1 96 96 LYS CG C 13 23.528 0.098 . 1 . . . A 96 LYS CG . 25703 1 1102 . 1 1 96 96 LYS CD C 13 30.282 0.003 . 1 . . . A 96 LYS CD . 25703 1 1103 . 1 1 96 96 LYS CE C 13 42.335 0.000 . 1 . . . A 96 LYS CE . 25703 1 1104 . 1 1 96 96 LYS N N 15 119.846 0.025 . 1 . . . A 96 LYS N . 25703 1 1105 . 1 1 97 97 GLN H H 1 7.700 0.010 . 1 . . . A 97 GLN H . 25703 1 1106 . 1 1 97 97 GLN HA H 1 3.848 0.011 . 1 . . . A 97 GLN HA . 25703 1 1107 . 1 1 97 97 GLN HB2 H 1 1.975 0.032 . 2 . . . A 97 GLN HB2 . 25703 1 1108 . 1 1 97 97 GLN HB3 H 1 2.021 0.020 . 2 . . . A 97 GLN HB3 . 25703 1 1109 . 1 1 97 97 GLN HE21 H 1 6.732 0.006 . 1 . . . A 97 GLN HE21 . 25703 1 1110 . 1 1 97 97 GLN HE22 H 1 7.352 0.011 . 1 . . . A 97 GLN HE22 . 25703 1 1111 . 1 1 97 97 GLN C C 13 177.461 0.000 . 1 . . . A 97 GLN C . 25703 1 1112 . 1 1 97 97 GLN CA C 13 59.069 0.047 . 1 . . . A 97 GLN CA . 25703 1 1113 . 1 1 97 97 GLN CB C 13 28.799 0.140 . 1 . . . A 97 GLN CB . 25703 1 1114 . 1 1 97 97 GLN N N 15 116.484 0.014 . 1 . . . A 97 GLN N . 25703 1 1115 . 1 1 97 97 GLN NE2 N 15 112.403 0.048 . 1 . . . A 97 GLN NE2 . 25703 1 1116 . 1 1 98 98 ALA H H 1 7.456 0.017 . 1 . . . A 98 ALA H . 25703 1 1117 . 1 1 98 98 ALA HA H 1 3.921 0.008 . 1 . . . A 98 ALA HA . 25703 1 1118 . 1 1 98 98 ALA HB1 H 1 1.151 0.009 . 1 . . . A 98 ALA HB1 . 25703 1 1119 . 1 1 98 98 ALA HB2 H 1 1.151 0.009 . 1 . . . A 98 ALA HB2 . 25703 1 1120 . 1 1 98 98 ALA HB3 H 1 1.151 0.009 . 1 . . . A 98 ALA HB3 . 25703 1 1121 . 1 1 98 98 ALA C C 13 174.452 0.000 . 1 . . . A 98 ALA C . 25703 1 1122 . 1 1 98 98 ALA CA C 13 55.207 0.018 . 1 . . . A 98 ALA CA . 25703 1 1123 . 1 1 98 98 ALA CB C 13 18.356 0.024 . 1 . . . A 98 ALA CB . 25703 1 1124 . 1 1 98 98 ALA N N 15 121.852 0.114 . 1 . . . A 98 ALA N . 25703 1 1125 . 1 1 99 99 ILE H H 1 7.692 0.022 . 1 . . . A 99 ILE H . 25703 1 1126 . 1 1 99 99 ILE HA H 1 3.037 0.014 . 1 . . . A 99 ILE HA . 25703 1 1127 . 1 1 99 99 ILE HB H 1 1.126 0.016 . 1 . . . A 99 ILE HB . 25703 1 1128 . 1 1 99 99 ILE HG13 H 1 0.407 0.019 . 1 . . . A 99 ILE HG13 . 25703 1 1129 . 1 1 99 99 ILE HG21 H 1 0.530 0.016 . 1 . . . A 99 ILE HG21 . 25703 1 1130 . 1 1 99 99 ILE HG22 H 1 0.530 0.016 . 1 . . . A 99 ILE HG22 . 25703 1 1131 . 1 1 99 99 ILE HG23 H 1 0.530 0.016 . 1 . . . A 99 ILE HG23 . 25703 1 1132 . 1 1 99 99 ILE HD11 H 1 -0.150 0.014 . 1 . . . A 99 ILE HD11 . 25703 1 1133 . 1 1 99 99 ILE HD12 H 1 -0.150 0.014 . 1 . . . A 99 ILE HD12 . 25703 1 1134 . 1 1 99 99 ILE HD13 H 1 -0.150 0.014 . 1 . . . A 99 ILE HD13 . 25703 1 1135 . 1 1 99 99 ILE C C 13 176.476 0.000 . 1 . . . A 99 ILE C . 25703 1 1136 . 1 1 99 99 ILE CA C 13 65.925 0.028 . 1 . . . A 99 ILE CA . 25703 1 1137 . 1 1 99 99 ILE CB C 13 38.622 0.024 . 1 . . . A 99 ILE CB . 25703 1 1138 . 1 1 99 99 ILE CG1 C 13 29.267 0.007 . 1 . . . A 99 ILE CG1 . 25703 1 1139 . 1 1 99 99 ILE CG2 C 13 15.202 0.019 . 1 . . . A 99 ILE CG2 . 25703 1 1140 . 1 1 99 99 ILE CD1 C 13 16.372 0.064 . 1 . . . A 99 ILE CD1 . 25703 1 1141 . 1 1 99 99 ILE N N 15 118.810 0.085 . 1 . . . A 99 ILE N . 25703 1 1142 . 1 1 100 100 ALA H H 1 8.164 0.024 . 1 . . . A 100 ALA H . 25703 1 1143 . 1 1 100 100 ALA HA H 1 3.713 0.017 . 1 . . . A 100 ALA HA . 25703 1 1144 . 1 1 100 100 ALA HB1 H 1 1.336 0.017 . 1 . . . A 100 ALA HB1 . 25703 1 1145 . 1 1 100 100 ALA HB2 H 1 1.336 0.017 . 1 . . . A 100 ALA HB2 . 25703 1 1146 . 1 1 100 100 ALA HB3 H 1 1.336 0.017 . 1 . . . A 100 ALA HB3 . 25703 1 1147 . 1 1 100 100 ALA C C 13 179.910 0.000 . 1 . . . A 100 ALA C . 25703 1 1148 . 1 1 100 100 ALA CA C 13 55.491 0.008 . 1 . . . A 100 ALA CA . 25703 1 1149 . 1 1 100 100 ALA CB C 13 18.656 0.050 . 1 . . . A 100 ALA CB . 25703 1 1150 . 1 1 100 100 ALA N N 15 120.478 0.012 . 1 . . . A 100 ALA N . 25703 1 1151 . 1 1 101 101 ALA H H 1 7.649 0.020 . 1 . . . A 101 ALA H . 25703 1 1152 . 1 1 101 101 ALA HA H 1 4.084 0.011 . 1 . . . A 101 ALA HA . 25703 1 1153 . 1 1 101 101 ALA HB1 H 1 1.311 0.022 . 1 . . . A 101 ALA HB1 . 25703 1 1154 . 1 1 101 101 ALA HB2 H 1 1.311 0.022 . 1 . . . A 101 ALA HB2 . 25703 1 1155 . 1 1 101 101 ALA HB3 H 1 1.311 0.022 . 1 . . . A 101 ALA HB3 . 25703 1 1156 . 1 1 101 101 ALA C C 13 177.705 0.000 . 1 . . . A 101 ALA C . 25703 1 1157 . 1 1 101 101 ALA CA C 13 54.113 0.075 . 1 . . . A 101 ALA CA . 25703 1 1158 . 1 1 101 101 ALA CB C 13 19.576 0.027 . 1 . . . A 101 ALA CB . 25703 1 1159 . 1 1 101 101 ALA N N 15 116.616 0.066 . 1 . . . A 101 ALA N . 25703 1 1160 . 1 1 102 102 ASN H H 1 7.110 0.012 . 1 . . . A 102 ASN H . 25703 1 1161 . 1 1 102 102 ASN HA H 1 4.753 0.022 . 1 . . . A 102 ASN HA . 25703 1 1162 . 1 1 102 102 ASN HB2 H 1 2.509 0.008 . 2 . . . A 102 ASN HB2 . 25703 1 1163 . 1 1 102 102 ASN HB3 H 1 2.147 0.017 . 2 . . . A 102 ASN HB3 . 25703 1 1164 . 1 1 102 102 ASN HD21 H 1 7.107 0.012 . 1 . . . A 102 ASN HD21 . 25703 1 1165 . 1 1 102 102 ASN HD22 H 1 8.110 0.001 . 1 . . . A 102 ASN HD22 . 25703 1 1166 . 1 1 102 102 ASN C C 13 172.210 0.000 . 1 . . . A 102 ASN C . 25703 1 1167 . 1 1 102 102 ASN CA C 13 54.809 0.190 . 1 . . . A 102 ASN CA . 25703 1 1168 . 1 1 102 102 ASN CB C 13 43.388 0.023 . 1 . . . A 102 ASN CB . 25703 1 1169 . 1 1 102 102 ASN N N 15 114.293 0.014 . 1 . . . A 102 ASN N . 25703 1 1170 . 1 1 102 102 ASN ND2 N 15 116.939 0.023 . 1 . . . A 102 ASN ND2 . 25703 1 1171 . 1 1 103 103 ALA H H 1 7.466 0.007 . 1 . . . A 103 ALA H . 25703 1 1172 . 1 1 103 103 ALA HA H 1 3.919 0.010 . 1 . . . A 103 ALA HA . 25703 1 1173 . 1 1 103 103 ALA HB1 H 1 1.163 0.015 . 1 . . . A 103 ALA HB1 . 25703 1 1174 . 1 1 103 103 ALA HB2 H 1 1.163 0.015 . 1 . . . A 103 ALA HB2 . 25703 1 1175 . 1 1 103 103 ALA HB3 H 1 1.163 0.015 . 1 . . . A 103 ALA HB3 . 25703 1 1176 . 1 1 103 103 ALA CA C 13 55.185 0.021 . 1 . . . A 103 ALA CA . 25703 1 1177 . 1 1 103 103 ALA CB C 13 19.377 0.028 . 1 . . . A 103 ALA CB . 25703 1 1178 . 1 1 103 103 ALA N N 15 130.232 0.018 . 1 . . . A 103 ALA N . 25703 1 stop_ save_