data_25905 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25905 _Entry.Title ; Solution structure of the bromodomain of Trypanosoma brucei Bromodomain Factor 2(BDF2) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-11-23 _Entry.Accession_date 2015-11-23 _Entry.Last_release_date 2016-11-17 _Entry.Original_release_date 2016-11-17 _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 'NMR, 20 STRUCTURES' _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 Xiao Yang . . . . 25905 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 PSI:Biology 'Hefei National Laboratory for Physical Sciences at Microscale' . 25905 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PROTEIN . 25905 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25905 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 292 25905 '15N chemical shifts' 112 25905 '1H chemical shifts' 501 25905 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-11-17 . original BMRB . 25905 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N9G 'BMRB Entry Tracking System' 25905 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25905 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the bromodomain of Trypanosoma brucei Bromodomain Factor 2(BDF2) ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Xiao Yang . . . . 25905 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25905 _Assembly.ID 1 _Assembly.Name 'bromodomain of Trypanosoma brucei Bromodomain Factor 2(BDF2)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 25905 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25905 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSKNERDTSFNKNGCLVFVS RLWDLDKLGMFHHPVSAEEL PDYHTVIKRPVDLSSIRDGI EKGTYATDVDVQNDVARMIT NALEYNAKGSTWYQEAMSFR KTYLDLARQSG ; _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 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12723.368 _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 . 25905 1 2 2 SER . 25905 1 3 3 LYS . 25905 1 4 4 ASN . 25905 1 5 5 GLU . 25905 1 6 6 ARG . 25905 1 7 7 ASP . 25905 1 8 8 THR . 25905 1 9 9 SER . 25905 1 10 10 PHE . 25905 1 11 11 ASN . 25905 1 12 12 LYS . 25905 1 13 13 ASN . 25905 1 14 14 GLY . 25905 1 15 15 CYS . 25905 1 16 16 LEU . 25905 1 17 17 VAL . 25905 1 18 18 PHE . 25905 1 19 19 VAL . 25905 1 20 20 SER . 25905 1 21 21 ARG . 25905 1 22 22 LEU . 25905 1 23 23 TRP . 25905 1 24 24 ASP . 25905 1 25 25 LEU . 25905 1 26 26 ASP . 25905 1 27 27 LYS . 25905 1 28 28 LEU . 25905 1 29 29 GLY . 25905 1 30 30 MET . 25905 1 31 31 PHE . 25905 1 32 32 HIS . 25905 1 33 33 HIS . 25905 1 34 34 PRO . 25905 1 35 35 VAL . 25905 1 36 36 SER . 25905 1 37 37 ALA . 25905 1 38 38 GLU . 25905 1 39 39 GLU . 25905 1 40 40 LEU . 25905 1 41 41 PRO . 25905 1 42 42 ASP . 25905 1 43 43 TYR . 25905 1 44 44 HIS . 25905 1 45 45 THR . 25905 1 46 46 VAL . 25905 1 47 47 ILE . 25905 1 48 48 LYS . 25905 1 49 49 ARG . 25905 1 50 50 PRO . 25905 1 51 51 VAL . 25905 1 52 52 ASP . 25905 1 53 53 LEU . 25905 1 54 54 SER . 25905 1 55 55 SER . 25905 1 56 56 ILE . 25905 1 57 57 ARG . 25905 1 58 58 ASP . 25905 1 59 59 GLY . 25905 1 60 60 ILE . 25905 1 61 61 GLU . 25905 1 62 62 LYS . 25905 1 63 63 GLY . 25905 1 64 64 THR . 25905 1 65 65 TYR . 25905 1 66 66 ALA . 25905 1 67 67 THR . 25905 1 68 68 ASP . 25905 1 69 69 VAL . 25905 1 70 70 ASP . 25905 1 71 71 VAL . 25905 1 72 72 GLN . 25905 1 73 73 ASN . 25905 1 74 74 ASP . 25905 1 75 75 VAL . 25905 1 76 76 ALA . 25905 1 77 77 ARG . 25905 1 78 78 MET . 25905 1 79 79 ILE . 25905 1 80 80 THR . 25905 1 81 81 ASN . 25905 1 82 82 ALA . 25905 1 83 83 LEU . 25905 1 84 84 GLU . 25905 1 85 85 TYR . 25905 1 86 86 ASN . 25905 1 87 87 ALA . 25905 1 88 88 LYS . 25905 1 89 89 GLY . 25905 1 90 90 SER . 25905 1 91 91 THR . 25905 1 92 92 TRP . 25905 1 93 93 TYR . 25905 1 94 94 GLN . 25905 1 95 95 GLU . 25905 1 96 96 ALA . 25905 1 97 97 MET . 25905 1 98 98 SER . 25905 1 99 99 PHE . 25905 1 100 100 ARG . 25905 1 101 101 LYS . 25905 1 102 102 THR . 25905 1 103 103 TYR . 25905 1 104 104 LEU . 25905 1 105 105 ASP . 25905 1 106 106 LEU . 25905 1 107 107 ALA . 25905 1 108 108 ARG . 25905 1 109 109 GLN . 25905 1 110 110 SER . 25905 1 111 111 GLY . 25905 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 25905 1 . SER 2 2 25905 1 . LYS 3 3 25905 1 . ASN 4 4 25905 1 . GLU 5 5 25905 1 . ARG 6 6 25905 1 . ASP 7 7 25905 1 . THR 8 8 25905 1 . SER 9 9 25905 1 . PHE 10 10 25905 1 . ASN 11 11 25905 1 . LYS 12 12 25905 1 . ASN 13 13 25905 1 . GLY 14 14 25905 1 . CYS 15 15 25905 1 . LEU 16 16 25905 1 . VAL 17 17 25905 1 . PHE 18 18 25905 1 . VAL 19 19 25905 1 . SER 20 20 25905 1 . ARG 21 21 25905 1 . LEU 22 22 25905 1 . TRP 23 23 25905 1 . ASP 24 24 25905 1 . LEU 25 25 25905 1 . ASP 26 26 25905 1 . LYS 27 27 25905 1 . LEU 28 28 25905 1 . GLY 29 29 25905 1 . MET 30 30 25905 1 . PHE 31 31 25905 1 . HIS 32 32 25905 1 . HIS 33 33 25905 1 . PRO 34 34 25905 1 . VAL 35 35 25905 1 . SER 36 36 25905 1 . ALA 37 37 25905 1 . GLU 38 38 25905 1 . GLU 39 39 25905 1 . LEU 40 40 25905 1 . PRO 41 41 25905 1 . ASP 42 42 25905 1 . TYR 43 43 25905 1 . HIS 44 44 25905 1 . THR 45 45 25905 1 . VAL 46 46 25905 1 . ILE 47 47 25905 1 . LYS 48 48 25905 1 . ARG 49 49 25905 1 . PRO 50 50 25905 1 . VAL 51 51 25905 1 . ASP 52 52 25905 1 . LEU 53 53 25905 1 . SER 54 54 25905 1 . SER 55 55 25905 1 . ILE 56 56 25905 1 . ARG 57 57 25905 1 . ASP 58 58 25905 1 . GLY 59 59 25905 1 . ILE 60 60 25905 1 . GLU 61 61 25905 1 . LYS 62 62 25905 1 . GLY 63 63 25905 1 . THR 64 64 25905 1 . TYR 65 65 25905 1 . ALA 66 66 25905 1 . THR 67 67 25905 1 . ASP 68 68 25905 1 . VAL 69 69 25905 1 . ASP 70 70 25905 1 . VAL 71 71 25905 1 . GLN 72 72 25905 1 . ASN 73 73 25905 1 . ASP 74 74 25905 1 . VAL 75 75 25905 1 . ALA 76 76 25905 1 . ARG 77 77 25905 1 . MET 78 78 25905 1 . ILE 79 79 25905 1 . THR 80 80 25905 1 . ASN 81 81 25905 1 . ALA 82 82 25905 1 . LEU 83 83 25905 1 . GLU 84 84 25905 1 . TYR 85 85 25905 1 . ASN 86 86 25905 1 . ALA 87 87 25905 1 . LYS 88 88 25905 1 . GLY 89 89 25905 1 . SER 90 90 25905 1 . THR 91 91 25905 1 . TRP 92 92 25905 1 . TYR 93 93 25905 1 . GLN 94 94 25905 1 . GLU 95 95 25905 1 . ALA 96 96 25905 1 . MET 97 97 25905 1 . SER 98 98 25905 1 . PHE 99 99 25905 1 . ARG 100 100 25905 1 . LYS 101 101 25905 1 . THR 102 102 25905 1 . TYR 103 103 25905 1 . LEU 104 104 25905 1 . ASP 105 105 25905 1 . LEU 106 106 25905 1 . ALA 107 107 25905 1 . ARG 108 108 25905 1 . GLN 109 109 25905 1 . SER 110 110 25905 1 . GLY 111 111 25905 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 25905 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 5691 organism . 'Trypanosoma brucei' kinetoplastids . . Eukaryota . Trypanosoma brucei . . . . . . . . . . . . . 25905 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 25905 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-22b . . . 25905 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25905 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity 'natural abundance' . . 1 $entity . . 0.5 . . mM . . . . 25905 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 25905 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25905 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25905 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 25905 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25905 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25905 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 25905 _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 pH 6.8 . pH 25905 1 pressure 1 . atm 25905 1 temperature 298 . K 25905 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25905 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25905 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25905 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 25905 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 25905 _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 DMX . 500 . . . 25905 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 25905 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25905 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 25905 _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 . . . . . 25905 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25905 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25905 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 25905 _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' . . . 25905 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 2 2 SER HA H 1 4.479 0.02 . . . . . A 2 SER HA . 25905 1 2 . 1 1 2 2 SER HB2 H 1 3.895 0.02 . . . . . A 2 SER HB2 . 25905 1 3 . 1 1 2 2 SER CA C 13 58.201 0.2 . . . . . A 2 SER CA . 25905 1 4 . 1 1 2 2 SER CB C 13 63.944 0.2 . . . . . A 2 SER CB . 25905 1 5 . 1 1 3 3 LYS H H 1 8.372 0.02 . . . . . A 3 LYS H . 25905 1 6 . 1 1 3 3 LYS HA H 1 4.302 0.02 . . . . . A 3 LYS HA . 25905 1 7 . 1 1 3 3 LYS HB2 H 1 1.770 0.02 . . . . . A 3 LYS HB2 . 25905 1 8 . 1 1 3 3 LYS HG2 H 1 1.383 0.02 . . . . . A 3 LYS HG2 . 25905 1 9 . 1 1 3 3 LYS HE2 H 1 2.946 0.02 . . . . . A 3 LYS HE2 . 25905 1 10 . 1 1 3 3 LYS CA C 13 56.824 0.2 . . . . . A 3 LYS CA . 25905 1 11 . 1 1 3 3 LYS CB C 13 33.020 0.2 . . . . . A 3 LYS CB . 25905 1 12 . 1 1 3 3 LYS CG C 13 24.667 0.2 . . . . . A 3 LYS CG . 25905 1 13 . 1 1 3 3 LYS CD C 13 29.183 0.2 . . . . . A 3 LYS CD . 25905 1 14 . 1 1 3 3 LYS CE C 13 42.596 0.2 . . . . . A 3 LYS CE . 25905 1 15 . 1 1 3 3 LYS N N 15 122.735 0.2 . . . . . A 3 LYS N . 25905 1 16 . 1 1 4 4 ASN H H 1 8.602 0.02 . . . . . A 4 ASN H . 25905 1 17 . 1 1 4 4 ASN HA H 1 4.649 0.02 . . . . . A 4 ASN HA . 25905 1 18 . 1 1 4 4 ASN HB2 H 1 2.776 0.02 . . . . . A 4 ASN HB2 . 25905 1 19 . 1 1 4 4 ASN CA C 13 53.347 0.2 . . . . . A 4 ASN CA . 25905 1 20 . 1 1 4 4 ASN CB C 13 38.932 0.2 . . . . . A 4 ASN CB . 25905 1 21 . 1 1 4 4 ASN N N 15 120.046 0.2 . . . . . A 4 ASN N . 25905 1 22 . 1 1 5 5 GLU H H 1 8.438 0.02 . . . . . A 5 GLU H . 25905 1 23 . 1 1 5 5 GLU HA H 1 4.242 0.02 . . . . . A 5 GLU HA . 25905 1 24 . 1 1 5 5 GLU HB2 H 1 2.000 0.02 . . . . . A 5 GLU HB2 . 25905 1 25 . 1 1 5 5 GLU HG2 H 1 2.216 0.02 . . . . . A 5 GLU HG2 . 25905 1 26 . 1 1 5 5 GLU CA C 13 56.936 0.2 . . . . . A 5 GLU CA . 25905 1 27 . 1 1 5 5 GLU CB C 13 30.339 0.2 . . . . . A 5 GLU CB . 25905 1 28 . 1 1 5 5 GLU CG C 13 36.259 0.2 . . . . . A 5 GLU CG . 25905 1 29 . 1 1 5 5 GLU N N 15 121.760 0.2 . . . . . A 5 GLU N . 25905 1 30 . 1 1 6 6 ARG H H 1 8.356 0.02 . . . . . A 6 ARG H . 25905 1 31 . 1 1 6 6 ARG HA H 1 4.288 0.02 . . . . . A 6 ARG HA . 25905 1 32 . 1 1 6 6 ARG HB2 H 1 1.788 0.02 . . . . . A 6 ARG HB2 . 25905 1 33 . 1 1 6 6 ARG HG2 H 1 1.586 0.02 . . . . . A 6 ARG HG2 . 25905 1 34 . 1 1 6 6 ARG HD2 H 1 3.151 0.02 . . . . . A 6 ARG HD2 . 25905 1 35 . 1 1 6 6 ARG CA C 13 56.283 0.2 . . . . . A 6 ARG CA . 25905 1 36 . 1 1 6 6 ARG CB C 13 30.593 0.2 . . . . . A 6 ARG CB . 25905 1 37 . 1 1 6 6 ARG CG C 13 26.883 0.2 . . . . . A 6 ARG CG . 25905 1 38 . 1 1 6 6 ARG CD C 13 43.362 0.2 . . . . . A 6 ARG CD . 25905 1 39 . 1 1 6 6 ARG N N 15 120.975 0.2 . . . . . A 6 ARG N . 25905 1 40 . 1 1 7 7 ASP H H 1 8.388 0.02 . . . . . A 7 ASP H . 25905 1 41 . 1 1 7 7 ASP HA H 1 4.654 0.02 . . . . . A 7 ASP HA . 25905 1 42 . 1 1 7 7 ASP HB2 H 1 2.711 0.02 . . . . . A 7 ASP HB2 . 25905 1 43 . 1 1 7 7 ASP CA C 13 54.654 0.2 . . . . . A 7 ASP CA . 25905 1 44 . 1 1 7 7 ASP CB C 13 41.219 0.2 . . . . . A 7 ASP CB . 25905 1 45 . 1 1 7 7 ASP N N 15 121.521 0.2 . . . . . A 7 ASP N . 25905 1 46 . 1 1 8 8 THR H H 1 8.148 0.02 . . . . . A 8 THR H . 25905 1 47 . 1 1 8 8 THR HA H 1 4.436 0.02 . . . . . A 8 THR HA . 25905 1 48 . 1 1 8 8 THR HG21 H 1 1.160 0.02 . . . . . A 8 THR HG21 . 25905 1 49 . 1 1 8 8 THR HG22 H 1 1.160 0.02 . . . . . A 8 THR HG22 . 25905 1 50 . 1 1 8 8 THR HG23 H 1 1.160 0.02 . . . . . A 8 THR HG23 . 25905 1 51 . 1 1 8 8 THR CA C 13 61.387 0.2 . . . . . A 8 THR CA . 25905 1 52 . 1 1 8 8 THR CB C 13 69.623 0.2 . . . . . A 8 THR CB . 25905 1 53 . 1 1 8 8 THR CG2 C 13 21.337 0.2 . . . . . A 8 THR CG2 . 25905 1 54 . 1 1 8 8 THR N N 15 113.888 0.2 . . . . . A 8 THR N . 25905 1 55 . 1 1 9 9 SER H H 1 8.400 0.02 . . . . . A 9 SER H . 25905 1 56 . 1 1 9 9 SER HA H 1 4.482 0.02 . . . . . A 9 SER HA . 25905 1 57 . 1 1 9 9 SER HB2 H 1 3.906 0.02 . . . . . A 9 SER HB2 . 25905 1 58 . 1 1 9 9 SER CA C 13 59.079 0.2 . . . . . A 9 SER CA . 25905 1 59 . 1 1 9 9 SER CB C 13 64.154 0.2 . . . . . A 9 SER CB . 25905 1 60 . 1 1 9 9 SER N N 15 117.862 0.2 . . . . . A 9 SER N . 25905 1 61 . 1 1 10 10 PHE H H 1 8.319 0.02 . . . . . A 10 PHE H . 25905 1 62 . 1 1 10 10 PHE CA C 13 55.526 0.2 . . . . . A 10 PHE CA . 25905 1 63 . 1 1 10 10 PHE CB C 13 41.210 0.2 . . . . . A 10 PHE CB . 25905 1 64 . 1 1 10 10 PHE N N 15 124.125 0.2 . . . . . A 10 PHE N . 25905 1 65 . 1 1 11 11 ASN HA H 1 4.617 0.02 . . . . . A 11 ASN HA . 25905 1 66 . 1 1 11 11 ASN HB2 H 1 3.083 0.02 . . . . . A 11 ASN HB2 . 25905 1 67 . 1 1 11 11 ASN HB3 H 1 2.778 0.02 . . . . . A 11 ASN HB3 . 25905 1 68 . 1 1 11 11 ASN HD21 H 1 7.557 0.02 . . . . . A 11 ASN HD21 . 25905 1 69 . 1 1 11 11 ASN CA C 13 50.779 0.2 . . . . . A 11 ASN CA . 25905 1 70 . 1 1 11 11 ASN CB C 13 37.108 0.2 . . . . . A 11 ASN CB . 25905 1 71 . 1 1 11 11 ASN ND2 N 15 111.574 0.2 . . . . . A 11 ASN ND2 . 25905 1 72 . 1 1 12 12 LYS H H 1 7.891 0.02 . . . . . A 12 LYS H . 25905 1 73 . 1 1 12 12 LYS HA H 1 2.998 0.02 . . . . . A 12 LYS HA . 25905 1 74 . 1 1 12 12 LYS HB2 H 1 1.643 0.02 . . . . . A 12 LYS HB2 . 25905 1 75 . 1 1 12 12 LYS HG2 H 1 1.104 0.02 . . . . . A 12 LYS HG2 . 25905 1 76 . 1 1 12 12 LYS HD2 H 1 1.691 0.02 . . . . . A 12 LYS HD2 . 25905 1 77 . 1 1 12 12 LYS CA C 13 60.936 0.2 . . . . . A 12 LYS CA . 25905 1 78 . 1 1 12 12 LYS CB C 13 32.665 0.2 . . . . . A 12 LYS CB . 25905 1 79 . 1 1 12 12 LYS CG C 13 24.758 0.2 . . . . . A 12 LYS CG . 25905 1 80 . 1 1 12 12 LYS N N 15 125.928 0.2 . . . . . A 12 LYS N . 25905 1 81 . 1 1 13 13 ASN H H 1 8.658 0.02 . . . . . A 13 ASN H . 25905 1 82 . 1 1 13 13 ASN HA H 1 4.298 0.02 . . . . . A 13 ASN HA . 25905 1 83 . 1 1 13 13 ASN HB2 H 1 2.716 0.02 . . . . . A 13 ASN HB2 . 25905 1 84 . 1 1 13 13 ASN HD21 H 1 6.920 0.02 . . . . . A 13 ASN HD21 . 25905 1 85 . 1 1 13 13 ASN CA C 13 56.575 0.2 . . . . . A 13 ASN CA . 25905 1 86 . 1 1 13 13 ASN CB C 13 37.894 0.2 . . . . . A 13 ASN CB . 25905 1 87 . 1 1 13 13 ASN N N 15 115.119 0.2 . . . . . A 13 ASN N . 25905 1 88 . 1 1 13 13 ASN ND2 N 15 113.173 0.2 . . . . . A 13 ASN ND2 . 25905 1 89 . 1 1 14 14 GLY H H 1 7.767 0.02 . . . . . A 14 GLY H . 25905 1 90 . 1 1 14 14 GLY HA2 H 1 3.868 0.02 . . . . . A 14 GLY HA2 . 25905 1 91 . 1 1 14 14 GLY HA3 H 1 3.464 0.02 . . . . . A 14 GLY HA3 . 25905 1 92 . 1 1 14 14 GLY CA C 13 47.721 0.2 . . . . . A 14 GLY CA . 25905 1 93 . 1 1 14 14 GLY N N 15 108.366 0.2 . . . . . A 14 GLY N . 25905 1 94 . 1 1 15 15 CYS H H 1 8.323 0.02 . . . . . A 15 CYS H . 25905 1 95 . 1 1 15 15 CYS HA H 1 4.231 0.02 . . . . . A 15 CYS HA . 25905 1 96 . 1 1 15 15 CYS HB2 H 1 3.146 0.02 . . . . . A 15 CYS HB2 . 25905 1 97 . 1 1 15 15 CYS HB3 H 1 2.504 0.02 . . . . . A 15 CYS HB3 . 25905 1 98 . 1 1 15 15 CYS CA C 13 65.697 0.2 . . . . . A 15 CYS CA . 25905 1 99 . 1 1 15 15 CYS CB C 13 26.602 0.2 . . . . . A 15 CYS CB . 25905 1 100 . 1 1 15 15 CYS N N 15 120.383 0.2 . . . . . A 15 CYS N . 25905 1 101 . 1 1 16 16 LEU H H 1 8.126 0.02 . . . . . A 16 LEU H . 25905 1 102 . 1 1 16 16 LEU HA H 1 4.074 0.02 . . . . . A 16 LEU HA . 25905 1 103 . 1 1 16 16 LEU HB2 H 1 2.056 0.02 . . . . . A 16 LEU HB2 . 25905 1 104 . 1 1 16 16 LEU HB3 H 1 1.424 0.02 . . . . . A 16 LEU HB3 . 25905 1 105 . 1 1 16 16 LEU HD11 H 1 0.879 0.02 . . . . . A 16 LEU HD11 . 25905 1 106 . 1 1 16 16 LEU HD12 H 1 0.879 0.02 . . . . . A 16 LEU HD12 . 25905 1 107 . 1 1 16 16 LEU HD13 H 1 0.879 0.02 . . . . . A 16 LEU HD13 . 25905 1 108 . 1 1 16 16 LEU CA C 13 58.346 0.2 . . . . . A 16 LEU CA . 25905 1 109 . 1 1 16 16 LEU CB C 13 41.010 0.2 . . . . . A 16 LEU CB . 25905 1 110 . 1 1 16 16 LEU CG C 13 25.497 0.2 . . . . . A 16 LEU CG . 25905 1 111 . 1 1 16 16 LEU CD1 C 13 23.329 0.2 . . . . . A 16 LEU CD1 . 25905 1 112 . 1 1 16 16 LEU CD2 C 13 20.825 0.2 . . . . . A 16 LEU CD2 . 25905 1 113 . 1 1 16 16 LEU N N 15 120.420 0.2 . . . . . A 16 LEU N . 25905 1 114 . 1 1 17 17 VAL H H 1 8.360 0.02 . . . . . A 17 VAL H . 25905 1 115 . 1 1 17 17 VAL HA H 1 3.647 0.02 . . . . . A 17 VAL HA . 25905 1 116 . 1 1 17 17 VAL HB H 1 2.330 0.02 . . . . . A 17 VAL HB . 25905 1 117 . 1 1 17 17 VAL HG21 H 1 1.024 0.02 . . . . . A 17 VAL HG21 . 25905 1 118 . 1 1 17 17 VAL HG22 H 1 1.024 0.02 . . . . . A 17 VAL HG22 . 25905 1 119 . 1 1 17 17 VAL HG23 H 1 1.024 0.02 . . . . . A 17 VAL HG23 . 25905 1 120 . 1 1 17 17 VAL CA C 13 66.885 0.2 . . . . . A 17 VAL CA . 25905 1 121 . 1 1 17 17 VAL CB C 13 31.753 0.2 . . . . . A 17 VAL CB . 25905 1 122 . 1 1 17 17 VAL CG1 C 13 23.068 0.2 . . . . . A 17 VAL CG1 . 25905 1 123 . 1 1 17 17 VAL CG2 C 13 21.132 0.2 . . . . . A 17 VAL CG2 . 25905 1 124 . 1 1 17 17 VAL N N 15 123.733 0.2 . . . . . A 17 VAL N . 25905 1 125 . 1 1 18 18 PHE H H 1 8.552 0.02 . . . . . A 18 PHE H . 25905 1 126 . 1 1 18 18 PHE HA H 1 4.474 0.02 . . . . . A 18 PHE HA . 25905 1 127 . 1 1 18 18 PHE HB2 H 1 3.472 0.02 . . . . . A 18 PHE HB2 . 25905 1 128 . 1 1 18 18 PHE CA C 13 59.090 0.2 . . . . . A 18 PHE CA . 25905 1 129 . 1 1 18 18 PHE CB C 13 39.585 0.2 . . . . . A 18 PHE CB . 25905 1 130 . 1 1 18 18 PHE N N 15 121.885 0.2 . . . . . A 18 PHE N . 25905 1 131 . 1 1 19 19 VAL H H 1 8.150 0.02 . . . . . A 19 VAL H . 25905 1 132 . 1 1 19 19 VAL HA H 1 3.264 0.02 . . . . . A 19 VAL HA . 25905 1 133 . 1 1 19 19 VAL HB H 1 2.094 0.02 . . . . . A 19 VAL HB . 25905 1 134 . 1 1 19 19 VAL HG21 H 1 0.922 0.02 . . . . . A 19 VAL HG21 . 25905 1 135 . 1 1 19 19 VAL HG22 H 1 0.922 0.02 . . . . . A 19 VAL HG22 . 25905 1 136 . 1 1 19 19 VAL HG23 H 1 0.922 0.02 . . . . . A 19 VAL HG23 . 25905 1 137 . 1 1 19 19 VAL CA C 13 67.236 0.2 . . . . . A 19 VAL CA . 25905 1 138 . 1 1 19 19 VAL CB C 13 31.439 0.2 . . . . . A 19 VAL CB . 25905 1 139 . 1 1 19 19 VAL N N 15 116.866 0.2 . . . . . A 19 VAL N . 25905 1 140 . 1 1 20 20 SER H H 1 8.154 0.02 . . . . . A 20 SER H . 25905 1 141 . 1 1 20 20 SER HA H 1 4.155 0.02 . . . . . A 20 SER HA . 25905 1 142 . 1 1 20 20 SER HB2 H 1 3.988 0.02 . . . . . A 20 SER HB2 . 25905 1 143 . 1 1 20 20 SER HB3 H 1 3.988 0.02 . . . . . A 20 SER HB3 . 25905 1 144 . 1 1 20 20 SER CA C 13 62.654 0.2 . . . . . A 20 SER CA . 25905 1 145 . 1 1 20 20 SER N N 15 116.718 0.2 . . . . . A 20 SER N . 25905 1 146 . 1 1 21 21 ARG H H 1 8.517 0.02 . . . . . A 21 ARG H . 25905 1 147 . 1 1 21 21 ARG HA H 1 4.197 0.02 . . . . . A 21 ARG HA . 25905 1 148 . 1 1 21 21 ARG HB2 H 1 2.044 0.02 . . . . . A 21 ARG HB2 . 25905 1 149 . 1 1 21 21 ARG HB3 H 1 1.809 0.02 . . . . . A 21 ARG HB3 . 25905 1 150 . 1 1 21 21 ARG HD2 H 1 3.115 0.02 . . . . . A 21 ARG HD2 . 25905 1 151 . 1 1 21 21 ARG HE H 1 7.220 0.02 . . . . . A 21 ARG HE . 25905 1 152 . 1 1 21 21 ARG CA C 13 58.669 0.2 . . . . . A 21 ARG CA . 25905 1 153 . 1 1 21 21 ARG CB C 13 29.901 0.2 . . . . . A 21 ARG CB . 25905 1 154 . 1 1 21 21 ARG CG C 13 27.152 0.2 . . . . . A 21 ARG CG . 25905 1 155 . 1 1 21 21 ARG CD C 13 42.818 0.2 . . . . . A 21 ARG CD . 25905 1 156 . 1 1 21 21 ARG N N 15 122.066 0.2 . . . . . A 21 ARG N . 25905 1 157 . 1 1 22 22 LEU H H 1 7.962 0.02 . . . . . A 22 LEU H . 25905 1 158 . 1 1 22 22 LEU HA H 1 3.757 0.02 . . . . . A 22 LEU HA . 25905 1 159 . 1 1 22 22 LEU HB2 H 1 2.023 0.02 . . . . . A 22 LEU HB2 . 25905 1 160 . 1 1 22 22 LEU HB3 H 1 1.138 0.02 . . . . . A 22 LEU HB3 . 25905 1 161 . 1 1 22 22 LEU HG H 1 1.982 0.02 . . . . . A 22 LEU HG . 25905 1 162 . 1 1 22 22 LEU HD21 H 1 0.422 0.02 . . . . . A 22 LEU HD21 . 25905 1 163 . 1 1 22 22 LEU HD22 H 1 0.422 0.02 . . . . . A 22 LEU HD22 . 25905 1 164 . 1 1 22 22 LEU HD23 H 1 0.422 0.02 . . . . . A 22 LEU HD23 . 25905 1 165 . 1 1 22 22 LEU CA C 13 57.837 0.2 . . . . . A 22 LEU CA . 25905 1 166 . 1 1 22 22 LEU CB C 13 42.262 0.2 . . . . . A 22 LEU CB . 25905 1 167 . 1 1 22 22 LEU CG C 13 26.919 0.2 . . . . . A 22 LEU CG . 25905 1 168 . 1 1 22 22 LEU CD2 C 13 22.700 0.2 . . . . . A 22 LEU CD2 . 25905 1 169 . 1 1 22 22 LEU N N 15 120.129 0.2 . . . . . A 22 LEU N . 25905 1 170 . 1 1 23 23 TRP H H 1 8.846 0.02 . . . . . A 23 TRP H . 25905 1 171 . 1 1 23 23 TRP HA H 1 3.622 0.02 . . . . . A 23 TRP HA . 25905 1 172 . 1 1 23 23 TRP HB2 H 1 3.250 0.02 . . . . . A 23 TRP HB2 . 25905 1 173 . 1 1 23 23 TRP HE1 H 1 9.178 0.02 . . . . . A 23 TRP HE1 . 25905 1 174 . 1 1 23 23 TRP CA C 13 61.889 0.2 . . . . . A 23 TRP CA . 25905 1 175 . 1 1 23 23 TRP CB C 13 28.090 0.2 . . . . . A 23 TRP CB . 25905 1 176 . 1 1 23 23 TRP N N 15 119.889 0.2 . . . . . A 23 TRP N . 25905 1 177 . 1 1 23 23 TRP NE1 N 15 131.050 0.2 . . . . . A 23 TRP NE1 . 25905 1 178 . 1 1 24 24 ASP H H 1 7.946 0.02 . . . . . A 24 ASP H . 25905 1 179 . 1 1 24 24 ASP HA H 1 4.551 0.02 . . . . . A 24 ASP HA . 25905 1 180 . 1 1 24 24 ASP HB2 H 1 2.751 0.02 . . . . . A 24 ASP HB2 . 25905 1 181 . 1 1 24 24 ASP CA C 13 56.694 0.2 . . . . . A 24 ASP CA . 25905 1 182 . 1 1 24 24 ASP CB C 13 40.935 0.2 . . . . . A 24 ASP CB . 25905 1 183 . 1 1 24 24 ASP N N 15 118.120 0.2 . . . . . A 24 ASP N . 25905 1 184 . 1 1 25 25 LEU H H 1 7.779 0.02 . . . . . A 25 LEU H . 25905 1 185 . 1 1 25 25 LEU HA H 1 4.169 0.02 . . . . . A 25 LEU HA . 25905 1 186 . 1 1 25 25 LEU HB2 H 1 1.640 0.02 . . . . . A 25 LEU HB2 . 25905 1 187 . 1 1 25 25 LEU HD11 H 1 0.750 0.02 . . . . . A 25 LEU HD11 . 25905 1 188 . 1 1 25 25 LEU HD12 H 1 0.750 0.02 . . . . . A 25 LEU HD12 . 25905 1 189 . 1 1 25 25 LEU HD13 H 1 0.750 0.02 . . . . . A 25 LEU HD13 . 25905 1 190 . 1 1 25 25 LEU HD21 H 1 0.502 0.02 . . . . . A 25 LEU HD21 . 25905 1 191 . 1 1 25 25 LEU HD22 H 1 0.502 0.02 . . . . . A 25 LEU HD22 . 25905 1 192 . 1 1 25 25 LEU HD23 H 1 0.502 0.02 . . . . . A 25 LEU HD23 . 25905 1 193 . 1 1 25 25 LEU CA C 13 56.130 0.2 . . . . . A 25 LEU CA . 25905 1 194 . 1 1 25 25 LEU CB C 13 42.779 0.2 . . . . . A 25 LEU CB . 25905 1 195 . 1 1 25 25 LEU CG C 13 27.031 0.2 . . . . . A 25 LEU CG . 25905 1 196 . 1 1 25 25 LEU CD1 C 13 23.933 0.2 . . . . . A 25 LEU CD1 . 25905 1 197 . 1 1 25 25 LEU CD2 C 13 20.987 0.2 . . . . . A 25 LEU CD2 . 25905 1 198 . 1 1 25 25 LEU N N 15 120.219 0.2 . . . . . A 25 LEU N . 25905 1 199 . 1 1 26 26 ASP H H 1 7.576 0.02 . . . . . A 26 ASP H . 25905 1 200 . 1 1 26 26 ASP HA H 1 4.832 0.02 . . . . . A 26 ASP HA . 25905 1 201 . 1 1 26 26 ASP HB2 H 1 2.944 0.02 . . . . . A 26 ASP HB2 . 25905 1 202 . 1 1 26 26 ASP CA C 13 51.875 0.2 . . . . . A 26 ASP CA . 25905 1 203 . 1 1 26 26 ASP CB C 13 39.658 0.2 . . . . . A 26 ASP CB . 25905 1 204 . 1 1 26 26 ASP N N 15 118.912 0.2 . . . . . A 26 ASP N . 25905 1 205 . 1 1 27 27 LYS H H 1 7.874 0.02 . . . . . A 27 LYS H . 25905 1 206 . 1 1 27 27 LYS CA C 13 58.093 0.2 . . . . . A 27 LYS CA . 25905 1 207 . 1 1 27 27 LYS CB C 13 32.293 0.2 . . . . . A 27 LYS CB . 25905 1 208 . 1 1 27 27 LYS N N 15 126.220 0.2 . . . . . A 27 LYS N . 25905 1 209 . 1 1 28 28 LEU HA H 1 4.109 0.02 . . . . . A 28 LEU HA . 25905 1 210 . 1 1 28 28 LEU HB2 H 1 1.286 0.02 . . . . . A 28 LEU HB2 . 25905 1 211 . 1 1 28 28 LEU HG H 1 1.512 0.02 . . . . . A 28 LEU HG . 25905 1 212 . 1 1 28 28 LEU HD11 H 1 0.683 0.02 . . . . . A 28 LEU HD11 . 25905 1 213 . 1 1 28 28 LEU HD12 H 1 0.683 0.02 . . . . . A 28 LEU HD12 . 25905 1 214 . 1 1 28 28 LEU HD13 H 1 0.683 0.02 . . . . . A 28 LEU HD13 . 25905 1 215 . 1 1 28 28 LEU HD21 H 1 0.558 0.02 . . . . . A 28 LEU HD21 . 25905 1 216 . 1 1 28 28 LEU HD22 H 1 0.558 0.02 . . . . . A 28 LEU HD22 . 25905 1 217 . 1 1 28 28 LEU HD23 H 1 0.558 0.02 . . . . . A 28 LEU HD23 . 25905 1 218 . 1 1 28 28 LEU CA C 13 55.009 0.2 . . . . . A 28 LEU CA . 25905 1 219 . 1 1 28 28 LEU CB C 13 41.765 0.2 . . . . . A 28 LEU CB . 25905 1 220 . 1 1 28 28 LEU CG C 13 28.000 0.2 . . . . . A 28 LEU CG . 25905 1 221 . 1 1 28 28 LEU CD1 C 13 25.983 0.2 . . . . . A 28 LEU CD1 . 25905 1 222 . 1 1 28 28 LEU CD2 C 13 21.727 0.2 . . . . . A 28 LEU CD2 . 25905 1 223 . 1 1 29 29 GLY H H 1 7.291 0.02 . . . . . A 29 GLY H . 25905 1 224 . 1 1 29 29 GLY CA C 13 45.767 0.2 . . . . . A 29 GLY CA . 25905 1 225 . 1 1 29 29 GLY N N 15 110.548 0.2 . . . . . A 29 GLY N . 25905 1 226 . 1 1 30 30 MET H H 1 8.457 0.02 . . . . . A 30 MET H . 25905 1 227 . 1 1 30 30 MET HA H 1 3.665 0.02 . . . . . A 30 MET HA . 25905 1 228 . 1 1 30 30 MET HB2 H 1 1.480 0.02 . . . . . A 30 MET HB2 . 25905 1 229 . 1 1 30 30 MET CA C 13 57.567 0.2 . . . . . A 30 MET CA . 25905 1 230 . 1 1 30 30 MET CB C 13 31.869 0.2 . . . . . A 30 MET CB . 25905 1 231 . 1 1 30 30 MET CG C 13 29.434 0.2 . . . . . A 30 MET CG . 25905 1 232 . 1 1 30 30 MET N N 15 121.581 0.2 . . . . . A 30 MET N . 25905 1 233 . 1 1 31 31 PHE H H 1 10.538 0.02 . . . . . A 31 PHE H . 25905 1 234 . 1 1 31 31 PHE HA H 1 4.970 0.02 . . . . . A 31 PHE HA . 25905 1 235 . 1 1 31 31 PHE HB2 H 1 3.761 0.02 . . . . . A 31 PHE HB2 . 25905 1 236 . 1 1 31 31 PHE HB3 H 1 2.440 0.02 . . . . . A 31 PHE HB3 . 25905 1 237 . 1 1 31 31 PHE CA C 13 56.453 0.2 . . . . . A 31 PHE CA . 25905 1 238 . 1 1 31 31 PHE CB C 13 39.376 0.2 . . . . . A 31 PHE CB . 25905 1 239 . 1 1 31 31 PHE N N 15 123.012 0.2 . . . . . A 31 PHE N . 25905 1 240 . 1 1 32 32 HIS H H 1 6.500 0.02 . . . . . A 32 HIS H . 25905 1 241 . 1 1 32 32 HIS HA H 1 3.708 0.02 . . . . . A 32 HIS HA . 25905 1 242 . 1 1 32 32 HIS HB2 H 1 2.438 0.02 . . . . . A 32 HIS HB2 . 25905 1 243 . 1 1 32 32 HIS HB3 H 1 2.006 0.02 . . . . . A 32 HIS HB3 . 25905 1 244 . 1 1 32 32 HIS CA C 13 57.674 0.2 . . . . . A 32 HIS CA . 25905 1 245 . 1 1 32 32 HIS CB C 13 31.586 0.2 . . . . . A 32 HIS CB . 25905 1 246 . 1 1 32 32 HIS N N 15 117.612 0.2 . . . . . A 32 HIS N . 25905 1 247 . 1 1 33 33 HIS H H 1 8.256 0.02 . . . . . A 33 HIS H . 25905 1 248 . 1 1 33 33 HIS CB C 13 42.106 0.2 . . . . . A 33 HIS CB . 25905 1 249 . 1 1 33 33 HIS N N 15 114.240 0.2 . . . . . A 33 HIS N . 25905 1 250 . 1 1 34 34 PRO HA H 1 4.334 0.02 . . . . . A 34 PRO HA . 25905 1 251 . 1 1 34 34 PRO HB2 H 1 1.720 0.02 . . . . . A 34 PRO HB2 . 25905 1 252 . 1 1 34 34 PRO HB3 H 1 2.295 0.02 . . . . . A 34 PRO HB3 . 25905 1 253 . 1 1 34 34 PRO HG2 H 1 2.087 0.02 . . . . . A 34 PRO HG2 . 25905 1 254 . 1 1 34 34 PRO CA C 13 62.692 0.2 . . . . . A 34 PRO CA . 25905 1 255 . 1 1 34 34 PRO CB C 13 31.967 0.2 . . . . . A 34 PRO CB . 25905 1 256 . 1 1 34 34 PRO CG C 13 27.457 0.2 . . . . . A 34 PRO CG . 25905 1 257 . 1 1 34 34 PRO CD C 13 51.167 0.2 . . . . . A 34 PRO CD . 25905 1 258 . 1 1 35 35 VAL H H 1 8.429 0.02 . . . . . A 35 VAL H . 25905 1 259 . 1 1 35 35 VAL HA H 1 3.621 0.02 . . . . . A 35 VAL HA . 25905 1 260 . 1 1 35 35 VAL HB H 1 1.281 0.02 . . . . . A 35 VAL HB . 25905 1 261 . 1 1 35 35 VAL HG11 H 1 0.293 0.02 . . . . . A 35 VAL HG11 . 25905 1 262 . 1 1 35 35 VAL HG12 H 1 0.293 0.02 . . . . . A 35 VAL HG12 . 25905 1 263 . 1 1 35 35 VAL HG13 H 1 0.293 0.02 . . . . . A 35 VAL HG13 . 25905 1 264 . 1 1 35 35 VAL CA C 13 62.897 0.2 . . . . . A 35 VAL CA . 25905 1 265 . 1 1 35 35 VAL CB C 13 32.334 0.2 . . . . . A 35 VAL CB . 25905 1 266 . 1 1 35 35 VAL CG1 C 13 21.104 0.2 . . . . . A 35 VAL CG1 . 25905 1 267 . 1 1 35 35 VAL N N 15 124.101 0.2 . . . . . A 35 VAL N . 25905 1 268 . 1 1 36 36 SER H H 1 8.665 0.02 . . . . . A 36 SER H . 25905 1 269 . 1 1 36 36 SER HA H 1 4.477 0.02 . . . . . A 36 SER HA . 25905 1 270 . 1 1 36 36 SER HB2 H 1 3.984 0.02 . . . . . A 36 SER HB2 . 25905 1 271 . 1 1 36 36 SER HB3 H 1 3.778 0.02 . . . . . A 36 SER HB3 . 25905 1 272 . 1 1 36 36 SER CA C 13 56.878 0.2 . . . . . A 36 SER CA . 25905 1 273 . 1 1 36 36 SER CB C 13 63.981 0.2 . . . . . A 36 SER CB . 25905 1 274 . 1 1 36 36 SER N N 15 122.295 0.2 . . . . . A 36 SER N . 25905 1 275 . 1 1 37 37 ALA H H 1 8.926 0.02 . . . . . A 37 ALA H . 25905 1 276 . 1 1 37 37 ALA HA H 1 4.103 0.02 . . . . . A 37 ALA HA . 25905 1 277 . 1 1 37 37 ALA HB1 H 1 1.348 0.02 . . . . . A 37 ALA HB1 . 25905 1 278 . 1 1 37 37 ALA HB2 H 1 1.348 0.02 . . . . . A 37 ALA HB2 . 25905 1 279 . 1 1 37 37 ALA HB3 H 1 1.348 0.02 . . . . . A 37 ALA HB3 . 25905 1 280 . 1 1 37 37 ALA CA C 13 53.958 0.2 . . . . . A 37 ALA CA . 25905 1 281 . 1 1 37 37 ALA CB C 13 18.481 0.2 . . . . . A 37 ALA CB . 25905 1 282 . 1 1 37 37 ALA N N 15 130.225 0.2 . . . . . A 37 ALA N . 25905 1 283 . 1 1 38 38 GLU H H 1 7.994 0.02 . . . . . A 38 GLU H . 25905 1 284 . 1 1 38 38 GLU HA H 1 3.979 0.02 . . . . . A 38 GLU HA . 25905 1 285 . 1 1 38 38 GLU HB2 H 1 1.904 0.02 . . . . . A 38 GLU HB2 . 25905 1 286 . 1 1 38 38 GLU HG2 H 1 2.200 0.02 . . . . . A 38 GLU HG2 . 25905 1 287 . 1 1 38 38 GLU CA C 13 58.258 0.2 . . . . . A 38 GLU CA . 25905 1 288 . 1 1 38 38 GLU CB C 13 29.716 0.2 . . . . . A 38 GLU CB . 25905 1 289 . 1 1 38 38 GLU CG C 13 36.662 0.2 . . . . . A 38 GLU CG . 25905 1 290 . 1 1 38 38 GLU N N 15 115.484 0.2 . . . . . A 38 GLU N . 25905 1 291 . 1 1 39 39 GLU H H 1 7.381 0.02 . . . . . A 39 GLU H . 25905 1 292 . 1 1 39 39 GLU HB2 H 1 1.978 0.02 . . . . . A 39 GLU HB2 . 25905 1 293 . 1 1 39 39 GLU HG2 H 1 2.207 0.02 . . . . . A 39 GLU HG2 . 25905 1 294 . 1 1 39 39 GLU CA C 13 57.582 0.2 . . . . . A 39 GLU CA . 25905 1 295 . 1 1 39 39 GLU CB C 13 30.764 0.2 . . . . . A 39 GLU CB . 25905 1 296 . 1 1 39 39 GLU CG C 13 36.246 0.2 . . . . . A 39 GLU CG . 25905 1 297 . 1 1 39 39 GLU N N 15 118.196 0.2 . . . . . A 39 GLU N . 25905 1 298 . 1 1 40 40 LEU H H 1 7.585 0.02 . . . . . A 40 LEU H . 25905 1 299 . 1 1 40 40 LEU CA C 13 52.073 0.2 . . . . . A 40 LEU CA . 25905 1 300 . 1 1 40 40 LEU CB C 13 39.898 0.2 . . . . . A 40 LEU CB . 25905 1 301 . 1 1 40 40 LEU N N 15 118.767 0.2 . . . . . A 40 LEU N . 25905 1 302 . 1 1 41 41 PRO HA H 1 4.597 0.02 . . . . . A 41 PRO HA . 25905 1 303 . 1 1 41 41 PRO HB2 H 1 1.948 0.02 . . . . . A 41 PRO HB2 . 25905 1 304 . 1 1 41 41 PRO HB3 H 1 2.367 0.02 . . . . . A 41 PRO HB3 . 25905 1 305 . 1 1 41 41 PRO CA C 13 65.028 0.2 . . . . . A 41 PRO CA . 25905 1 306 . 1 1 41 41 PRO CB C 13 32.122 0.2 . . . . . A 41 PRO CB . 25905 1 307 . 1 1 41 41 PRO CG C 13 27.245 0.2 . . . . . A 41 PRO CG . 25905 1 308 . 1 1 41 41 PRO CD C 13 41.128 0.2 . . . . . A 41 PRO CD . 25905 1 309 . 1 1 42 42 ASP H H 1 8.361 0.02 . . . . . A 42 ASP H . 25905 1 310 . 1 1 42 42 ASP HA H 1 4.624 0.02 . . . . . A 42 ASP HA . 25905 1 311 . 1 1 42 42 ASP HB2 H 1 2.816 0.02 . . . . . A 42 ASP HB2 . 25905 1 312 . 1 1 42 42 ASP HB3 H 1 2.680 0.02 . . . . . A 42 ASP HB3 . 25905 1 313 . 1 1 42 42 ASP CA C 13 53.883 0.2 . . . . . A 42 ASP CA . 25905 1 314 . 1 1 42 42 ASP CB C 13 40.776 0.2 . . . . . A 42 ASP CB . 25905 1 315 . 1 1 42 42 ASP N N 15 114.709 0.2 . . . . . A 42 ASP N . 25905 1 316 . 1 1 43 43 TYR H H 1 7.871 0.02 . . . . . A 43 TYR H . 25905 1 317 . 1 1 43 43 TYR HA H 1 3.720 0.02 . . . . . A 43 TYR HA . 25905 1 318 . 1 1 43 43 TYR HB2 H 1 2.694 0.02 . . . . . A 43 TYR HB2 . 25905 1 319 . 1 1 43 43 TYR CA C 13 62.349 0.2 . . . . . A 43 TYR CA . 25905 1 320 . 1 1 43 43 TYR CB C 13 39.263 0.2 . . . . . A 43 TYR CB . 25905 1 321 . 1 1 43 43 TYR N N 15 124.466 0.2 . . . . . A 43 TYR N . 25905 1 322 . 1 1 44 44 HIS H H 1 8.703 0.02 . . . . . A 44 HIS H . 25905 1 323 . 1 1 44 44 HIS HA H 1 4.427 0.02 . . . . . A 44 HIS HA . 25905 1 324 . 1 1 44 44 HIS HB2 H 1 3.253 0.02 . . . . . A 44 HIS HB2 . 25905 1 325 . 1 1 44 44 HIS HB3 H 1 3.043 0.02 . . . . . A 44 HIS HB3 . 25905 1 326 . 1 1 44 44 HIS CA C 13 58.183 0.2 . . . . . A 44 HIS CA . 25905 1 327 . 1 1 44 44 HIS CB C 13 29.253 0.2 . . . . . A 44 HIS CB . 25905 1 328 . 1 1 44 44 HIS N N 15 114.631 0.2 . . . . . A 44 HIS N . 25905 1 329 . 1 1 45 45 THR H H 1 7.446 0.02 . . . . . A 45 THR H . 25905 1 330 . 1 1 45 45 THR HA H 1 4.107 0.02 . . . . . A 45 THR HA . 25905 1 331 . 1 1 45 45 THR HG21 H 1 1.096 0.02 . . . . . A 45 THR HG21 . 25905 1 332 . 1 1 45 45 THR HG22 H 1 1.096 0.02 . . . . . A 45 THR HG22 . 25905 1 333 . 1 1 45 45 THR HG23 H 1 1.096 0.02 . . . . . A 45 THR HG23 . 25905 1 334 . 1 1 45 45 THR CA C 13 63.732 0.2 . . . . . A 45 THR CA . 25905 1 335 . 1 1 45 45 THR CB C 13 69.078 0.2 . . . . . A 45 THR CB . 25905 1 336 . 1 1 45 45 THR CG2 C 13 21.729 0.2 . . . . . A 45 THR CG2 . 25905 1 337 . 1 1 45 45 THR N N 15 113.031 0.2 . . . . . A 45 THR N . 25905 1 338 . 1 1 46 46 VAL H H 1 7.244 0.02 . . . . . A 46 VAL H . 25905 1 339 . 1 1 46 46 VAL HA H 1 3.906 0.02 . . . . . A 46 VAL HA . 25905 1 340 . 1 1 46 46 VAL HB H 1 1.929 0.02 . . . . . A 46 VAL HB . 25905 1 341 . 1 1 46 46 VAL HG21 H 1 0.950 0.02 . . . . . A 46 VAL HG21 . 25905 1 342 . 1 1 46 46 VAL HG22 H 1 0.950 0.02 . . . . . A 46 VAL HG22 . 25905 1 343 . 1 1 46 46 VAL HG23 H 1 0.950 0.02 . . . . . A 46 VAL HG23 . 25905 1 344 . 1 1 46 46 VAL CA C 13 64.057 0.2 . . . . . A 46 VAL CA . 25905 1 345 . 1 1 46 46 VAL CB C 13 33.782 0.2 . . . . . A 46 VAL CB . 25905 1 346 . 1 1 46 46 VAL CG2 C 13 21.144 0.2 . . . . . A 46 VAL CG2 . 25905 1 347 . 1 1 46 46 VAL N N 15 120.501 0.2 . . . . . A 46 VAL N . 25905 1 348 . 1 1 47 47 ILE H H 1 8.033 0.02 . . . . . A 47 ILE H . 25905 1 349 . 1 1 47 47 ILE HA H 1 3.982 0.02 . . . . . A 47 ILE HA . 25905 1 350 . 1 1 47 47 ILE HB H 1 1.235 0.02 . . . . . A 47 ILE HB . 25905 1 351 . 1 1 47 47 ILE HG21 H 1 0.646 0.02 . . . . . A 47 ILE HG21 . 25905 1 352 . 1 1 47 47 ILE HG22 H 1 0.646 0.02 . . . . . A 47 ILE HG22 . 25905 1 353 . 1 1 47 47 ILE HG23 H 1 0.646 0.02 . . . . . A 47 ILE HG23 . 25905 1 354 . 1 1 47 47 ILE HD11 H 1 0.477 0.02 . . . . . A 47 ILE HD11 . 25905 1 355 . 1 1 47 47 ILE HD12 H 1 0.477 0.02 . . . . . A 47 ILE HD12 . 25905 1 356 . 1 1 47 47 ILE HD13 H 1 0.477 0.02 . . . . . A 47 ILE HD13 . 25905 1 357 . 1 1 47 47 ILE CA C 13 57.437 0.2 . . . . . A 47 ILE CA . 25905 1 358 . 1 1 47 47 ILE CB C 13 35.105 0.2 . . . . . A 47 ILE CB . 25905 1 359 . 1 1 47 47 ILE CG2 C 13 16.374 0.2 . . . . . A 47 ILE CG2 . 25905 1 360 . 1 1 47 47 ILE CD1 C 13 9.996 0.2 . . . . . A 47 ILE CD1 . 25905 1 361 . 1 1 47 47 ILE N N 15 121.637 0.2 . . . . . A 47 ILE N . 25905 1 362 . 1 1 48 48 LYS H H 1 7.967 0.02 . . . . . A 48 LYS H . 25905 1 363 . 1 1 48 48 LYS HA H 1 4.156 0.02 . . . . . A 48 LYS HA . 25905 1 364 . 1 1 48 48 LYS HB2 H 1 1.781 0.02 . . . . . A 48 LYS HB2 . 25905 1 365 . 1 1 48 48 LYS HB3 H 1 1.691 0.02 . . . . . A 48 LYS HB3 . 25905 1 366 . 1 1 48 48 LYS HG2 H 1 1.403 0.02 . . . . . A 48 LYS HG2 . 25905 1 367 . 1 1 48 48 LYS HD2 H 1 1.602 0.02 . . . . . A 48 LYS HD2 . 25905 1 368 . 1 1 48 48 LYS HE2 H 1 2.912 0.02 . . . . . A 48 LYS HE2 . 25905 1 369 . 1 1 48 48 LYS CA C 13 57.000 0.2 . . . . . A 48 LYS CA . 25905 1 370 . 1 1 48 48 LYS CB C 13 32.759 0.2 . . . . . A 48 LYS CB . 25905 1 371 . 1 1 48 48 LYS CG C 13 24.753 0.2 . . . . . A 48 LYS CG . 25905 1 372 . 1 1 48 48 LYS CD C 13 28.554 0.2 . . . . . A 48 LYS CD . 25905 1 373 . 1 1 48 48 LYS N N 15 124.243 0.2 . . . . . A 48 LYS N . 25905 1 374 . 1 1 49 49 ARG H H 1 8.246 0.02 . . . . . A 49 ARG H . 25905 1 375 . 1 1 49 49 ARG HA H 1 4.754 0.02 . . . . . A 49 ARG HA . 25905 1 376 . 1 1 49 49 ARG HB2 H 1 1.627 0.02 . . . . . A 49 ARG HB2 . 25905 1 377 . 1 1 49 49 ARG CA C 13 53.323 0.2 . . . . . A 49 ARG CA . 25905 1 378 . 1 1 49 49 ARG CB C 13 30.631 0.2 . . . . . A 49 ARG CB . 25905 1 379 . 1 1 49 49 ARG N N 15 118.590 0.2 . . . . . A 49 ARG N . 25905 1 380 . 1 1 50 50 PRO HA H 1 4.126 0.02 . . . . . A 50 PRO HA . 25905 1 381 . 1 1 50 50 PRO HB3 H 1 1.892 0.02 . . . . . A 50 PRO HB3 . 25905 1 382 . 1 1 50 50 PRO CA C 13 63.013 0.2 . . . . . A 50 PRO CA . 25905 1 383 . 1 1 50 50 PRO CB C 13 32.758 0.2 . . . . . A 50 PRO CB . 25905 1 384 . 1 1 50 50 PRO CG C 13 27.517 0.2 . . . . . A 50 PRO CG . 25905 1 385 . 1 1 50 50 PRO CD C 13 51.065 0.2 . . . . . A 50 PRO CD . 25905 1 386 . 1 1 51 51 VAL H H 1 8.260 0.02 . . . . . A 51 VAL H . 25905 1 387 . 1 1 51 51 VAL HA H 1 4.327 0.02 . . . . . A 51 VAL HA . 25905 1 388 . 1 1 51 51 VAL HB H 1 1.842 0.02 . . . . . A 51 VAL HB . 25905 1 389 . 1 1 51 51 VAL HG21 H 1 0.857 0.02 . . . . . A 51 VAL HG21 . 25905 1 390 . 1 1 51 51 VAL HG22 H 1 0.857 0.02 . . . . . A 51 VAL HG22 . 25905 1 391 . 1 1 51 51 VAL HG23 H 1 0.857 0.02 . . . . . A 51 VAL HG23 . 25905 1 392 . 1 1 51 51 VAL CA C 13 62.587 0.2 . . . . . A 51 VAL CA . 25905 1 393 . 1 1 51 51 VAL CB C 13 34.832 0.2 . . . . . A 51 VAL CB . 25905 1 394 . 1 1 51 51 VAL CG2 C 13 21.046 0.2 . . . . . A 51 VAL CG2 . 25905 1 395 . 1 1 51 51 VAL N N 15 120.644 0.2 . . . . . A 51 VAL N . 25905 1 396 . 1 1 52 52 ASP H H 1 7.311 0.02 . . . . . A 52 ASP H . 25905 1 397 . 1 1 52 52 ASP HA H 1 4.831 0.02 . . . . . A 52 ASP HA . 25905 1 398 . 1 1 52 52 ASP HB2 H 1 2.437 0.02 . . . . . A 52 ASP HB2 . 25905 1 399 . 1 1 52 52 ASP HB3 H 1 2.208 0.02 . . . . . A 52 ASP HB3 . 25905 1 400 . 1 1 52 52 ASP CA C 13 53.352 0.2 . . . . . A 52 ASP CA . 25905 1 401 . 1 1 52 52 ASP CB C 13 44.185 0.2 . . . . . A 52 ASP CB . 25905 1 402 . 1 1 52 52 ASP N N 15 121.640 0.2 . . . . . A 52 ASP N . 25905 1 403 . 1 1 53 53 LEU H H 1 9.198 0.02 . . . . . A 53 LEU H . 25905 1 404 . 1 1 53 53 LEU CA C 13 58.591 0.2 . . . . . A 53 LEU CA . 25905 1 405 . 1 1 53 53 LEU CB C 13 43.312 0.2 . . . . . A 53 LEU CB . 25905 1 406 . 1 1 53 53 LEU CG C 13 26.371 0.2 . . . . . A 53 LEU CG . 25905 1 407 . 1 1 53 53 LEU N N 15 117.277 0.2 . . . . . A 53 LEU N . 25905 1 408 . 1 1 54 54 SER H H 1 8.602 0.02 . . . . . A 54 SER H . 25905 1 409 . 1 1 54 54 SER CA C 13 63.185 0.2 . . . . . A 54 SER CA . 25905 1 410 . 1 1 54 54 SER N N 15 118.173 0.2 . . . . . A 54 SER N . 25905 1 411 . 1 1 55 55 SER HA H 1 4.308 0.02 . . . . . A 55 SER HA . 25905 1 412 . 1 1 55 55 SER HB2 H 1 3.948 0.02 . . . . . A 55 SER HB2 . 25905 1 413 . 1 1 55 55 SER CA C 13 61.996 0.2 . . . . . A 55 SER CA . 25905 1 414 . 1 1 55 55 SER CB C 13 62.179 0.2 . . . . . A 55 SER CB . 25905 1 415 . 1 1 56 56 ILE H H 1 8.219 0.02 . . . . . A 56 ILE H . 25905 1 416 . 1 1 56 56 ILE HA H 1 4.300 0.02 . . . . . A 56 ILE HA . 25905 1 417 . 1 1 56 56 ILE HG21 H 1 0.821 0.02 . . . . . A 56 ILE HG21 . 25905 1 418 . 1 1 56 56 ILE HG22 H 1 0.821 0.02 . . . . . A 56 ILE HG22 . 25905 1 419 . 1 1 56 56 ILE HG23 H 1 0.821 0.02 . . . . . A 56 ILE HG23 . 25905 1 420 . 1 1 56 56 ILE HD11 H 1 0.584 0.02 . . . . . A 56 ILE HD11 . 25905 1 421 . 1 1 56 56 ILE HD12 H 1 0.584 0.02 . . . . . A 56 ILE HD12 . 25905 1 422 . 1 1 56 56 ILE HD13 H 1 0.584 0.02 . . . . . A 56 ILE HD13 . 25905 1 423 . 1 1 56 56 ILE CA C 13 65.420 0.2 . . . . . A 56 ILE CA . 25905 1 424 . 1 1 56 56 ILE CB C 13 38.715 0.2 . . . . . A 56 ILE CB . 25905 1 425 . 1 1 56 56 ILE CG2 C 13 17.354 0.2 . . . . . A 56 ILE CG2 . 25905 1 426 . 1 1 56 56 ILE N N 15 125.099 0.2 . . . . . A 56 ILE N . 25905 1 427 . 1 1 57 57 ARG H H 1 8.444 0.02 . . . . . A 57 ARG H . 25905 1 428 . 1 1 57 57 ARG HA H 1 3.810 0.02 . . . . . A 57 ARG HA . 25905 1 429 . 1 1 57 57 ARG HB2 H 1 2.056 0.02 . . . . . A 57 ARG HB2 . 25905 1 430 . 1 1 57 57 ARG HB3 H 1 1.909 0.02 . . . . . A 57 ARG HB3 . 25905 1 431 . 1 1 57 57 ARG HG2 H 1 1.543 0.02 . . . . . A 57 ARG HG2 . 25905 1 432 . 1 1 57 57 ARG HD2 H 1 2.973 0.02 . . . . . A 57 ARG HD2 . 25905 1 433 . 1 1 57 57 ARG HE H 1 7.010 0.02 . . . . . A 57 ARG HE . 25905 1 434 . 1 1 57 57 ARG CA C 13 60.960 0.2 . . . . . A 57 ARG CA . 25905 1 435 . 1 1 57 57 ARG CB C 13 30.303 0.2 . . . . . A 57 ARG CB . 25905 1 436 . 1 1 57 57 ARG CG C 13 26.887 0.2 . . . . . A 57 ARG CG . 25905 1 437 . 1 1 57 57 ARG CD C 13 43.576 0.2 . . . . . A 57 ARG CD . 25905 1 438 . 1 1 57 57 ARG N N 15 120.283 0.2 . . . . . A 57 ARG N . 25905 1 439 . 1 1 58 58 ASP H H 1 8.278 0.02 . . . . . A 58 ASP H . 25905 1 440 . 1 1 58 58 ASP HA H 1 4.365 0.02 . . . . . A 58 ASP HA . 25905 1 441 . 1 1 58 58 ASP HB2 H 1 2.791 0.02 . . . . . A 58 ASP HB2 . 25905 1 442 . 1 1 58 58 ASP HB3 H 1 2.674 0.02 . . . . . A 58 ASP HB3 . 25905 1 443 . 1 1 58 58 ASP CA C 13 57.577 0.2 . . . . . A 58 ASP CA . 25905 1 444 . 1 1 58 58 ASP CB C 13 41.510 0.2 . . . . . A 58 ASP CB . 25905 1 445 . 1 1 58 58 ASP N N 15 117.502 0.2 . . . . . A 58 ASP N . 25905 1 446 . 1 1 59 59 GLY H H 1 8.211 0.02 . . . . . A 59 GLY H . 25905 1 447 . 1 1 59 59 GLY HA2 H 1 3.867 0.02 . . . . . A 59 GLY HA2 . 25905 1 448 . 1 1 59 59 GLY CA C 13 47.719 0.2 . . . . . A 59 GLY CA . 25905 1 449 . 1 1 59 59 GLY N N 15 106.787 0.2 . . . . . A 59 GLY N . 25905 1 450 . 1 1 60 60 ILE H H 1 8.754 0.02 . . . . . A 60 ILE H . 25905 1 451 . 1 1 60 60 ILE HA H 1 4.107 0.02 . . . . . A 60 ILE HA . 25905 1 452 . 1 1 60 60 ILE HB H 1 2.245 0.02 . . . . . A 60 ILE HB . 25905 1 453 . 1 1 60 60 ILE HG21 H 1 1.060 0.02 . . . . . A 60 ILE HG21 . 25905 1 454 . 1 1 60 60 ILE HG22 H 1 1.060 0.02 . . . . . A 60 ILE HG22 . 25905 1 455 . 1 1 60 60 ILE HG23 H 1 1.060 0.02 . . . . . A 60 ILE HG23 . 25905 1 456 . 1 1 60 60 ILE HD11 H 1 0.838 0.02 . . . . . A 60 ILE HD11 . 25905 1 457 . 1 1 60 60 ILE HD12 H 1 0.838 0.02 . . . . . A 60 ILE HD12 . 25905 1 458 . 1 1 60 60 ILE HD13 H 1 0.838 0.02 . . . . . A 60 ILE HD13 . 25905 1 459 . 1 1 60 60 ILE CA C 13 66.269 0.2 . . . . . A 60 ILE CA . 25905 1 460 . 1 1 60 60 ILE CB C 13 38.276 0.2 . . . . . A 60 ILE CB . 25905 1 461 . 1 1 60 60 ILE CG2 C 13 19.105 0.2 . . . . . A 60 ILE CG2 . 25905 1 462 . 1 1 60 60 ILE N N 15 122.919 0.2 . . . . . A 60 ILE N . 25905 1 463 . 1 1 61 61 GLU H H 1 8.312 0.02 . . . . . A 61 GLU H . 25905 1 464 . 1 1 61 61 GLU HA H 1 4.053 0.02 . . . . . A 61 GLU HA . 25905 1 465 . 1 1 61 61 GLU HB2 H 1 2.265 0.02 . . . . . A 61 GLU HB2 . 25905 1 466 . 1 1 61 61 GLU HB3 H 1 2.088 0.02 . . . . . A 61 GLU HB3 . 25905 1 467 . 1 1 61 61 GLU HG2 H 1 2.506 0.02 . . . . . A 61 GLU HG2 . 25905 1 468 . 1 1 61 61 GLU CA C 13 59.736 0.2 . . . . . A 61 GLU CA . 25905 1 469 . 1 1 61 61 GLU CB C 13 29.789 0.2 . . . . . A 61 GLU CB . 25905 1 470 . 1 1 61 61 GLU CG C 13 36.473 0.2 . . . . . A 61 GLU CG . 25905 1 471 . 1 1 61 61 GLU N N 15 118.586 0.2 . . . . . A 61 GLU N . 25905 1 472 . 1 1 62 62 LYS H H 1 8.386 0.02 . . . . . A 62 LYS H . 25905 1 473 . 1 1 62 62 LYS HA H 1 4.265 0.02 . . . . . A 62 LYS HA . 25905 1 474 . 1 1 62 62 LYS HB2 H 1 1.894 0.02 . . . . . A 62 LYS HB2 . 25905 1 475 . 1 1 62 62 LYS HG2 H 1 1.553 0.02 . . . . . A 62 LYS HG2 . 25905 1 476 . 1 1 62 62 LYS HE2 H 1 2.907 0.02 . . . . . A 62 LYS HE2 . 25905 1 477 . 1 1 62 62 LYS CA C 13 56.972 0.2 . . . . . A 62 LYS CA . 25905 1 478 . 1 1 62 62 LYS CB C 13 33.448 0.2 . . . . . A 62 LYS CB . 25905 1 479 . 1 1 62 62 LYS CG C 13 25.799 0.2 . . . . . A 62 LYS CG . 25905 1 480 . 1 1 62 62 LYS CD C 13 29.221 0.2 . . . . . A 62 LYS CD . 25905 1 481 . 1 1 62 62 LYS CE C 13 42.446 0.2 . . . . . A 62 LYS CE . 25905 1 482 . 1 1 62 62 LYS N N 15 116.410 0.2 . . . . . A 62 LYS N . 25905 1 483 . 1 1 63 63 GLY H H 1 7.794 0.02 . . . . . A 63 GLY H . 25905 1 484 . 1 1 63 63 GLY HA2 H 1 4.097 0.02 . . . . . A 63 GLY HA2 . 25905 1 485 . 1 1 63 63 GLY CA C 13 46.529 0.2 . . . . . A 63 GLY CA . 25905 1 486 . 1 1 63 63 GLY N N 15 108.369 0.2 . . . . . A 63 GLY N . 25905 1 487 . 1 1 64 64 THR H H 1 8.541 0.02 . . . . . A 64 THR H . 25905 1 488 . 1 1 64 64 THR HA H 1 3.852 0.02 . . . . . A 64 THR HA . 25905 1 489 . 1 1 64 64 THR CA C 13 63.448 0.2 . . . . . A 64 THR CA . 25905 1 490 . 1 1 64 64 THR CB C 13 68.247 0.2 . . . . . A 64 THR CB . 25905 1 491 . 1 1 64 64 THR CG2 C 13 21.730 0.2 . . . . . A 64 THR CG2 . 25905 1 492 . 1 1 64 64 THR N N 15 112.951 0.2 . . . . . A 64 THR N . 25905 1 493 . 1 1 65 65 TYR H H 1 7.191 0.02 . . . . . A 65 TYR H . 25905 1 494 . 1 1 65 65 TYR HA H 1 4.500 0.02 . . . . . A 65 TYR HA . 25905 1 495 . 1 1 65 65 TYR HB2 H 1 2.643 0.02 . . . . . A 65 TYR HB2 . 25905 1 496 . 1 1 65 65 TYR HB3 H 1 2.343 0.02 . . . . . A 65 TYR HB3 . 25905 1 497 . 1 1 65 65 TYR CA C 13 57.596 0.2 . . . . . A 65 TYR CA . 25905 1 498 . 1 1 65 65 TYR CB C 13 40.730 0.2 . . . . . A 65 TYR CB . 25905 1 499 . 1 1 65 65 TYR N N 15 118.411 0.2 . . . . . A 65 TYR N . 25905 1 500 . 1 1 66 66 ALA H H 1 9.032 0.02 . . . . . A 66 ALA H . 25905 1 501 . 1 1 66 66 ALA HA H 1 3.917 0.02 . . . . . A 66 ALA HA . 25905 1 502 . 1 1 66 66 ALA HB1 H 1 1.379 0.02 . . . . . A 66 ALA HB1 . 25905 1 503 . 1 1 66 66 ALA HB2 H 1 1.379 0.02 . . . . . A 66 ALA HB2 . 25905 1 504 . 1 1 66 66 ALA HB3 H 1 1.379 0.02 . . . . . A 66 ALA HB3 . 25905 1 505 . 1 1 66 66 ALA CA C 13 52.734 0.2 . . . . . A 66 ALA CA . 25905 1 506 . 1 1 66 66 ALA CB C 13 20.379 0.2 . . . . . A 66 ALA CB . 25905 1 507 . 1 1 66 66 ALA N N 15 123.133 0.2 . . . . . A 66 ALA N . 25905 1 508 . 1 1 67 67 THR H H 1 7.363 0.02 . . . . . A 67 THR H . 25905 1 509 . 1 1 67 67 THR HA H 1 4.839 0.02 . . . . . A 67 THR HA . 25905 1 510 . 1 1 67 67 THR HB H 1 4.545 0.02 . . . . . A 67 THR HB . 25905 1 511 . 1 1 67 67 THR HG21 H 1 1.125 0.02 . . . . . A 67 THR HG21 . 25905 1 512 . 1 1 67 67 THR HG22 H 1 1.125 0.02 . . . . . A 67 THR HG22 . 25905 1 513 . 1 1 67 67 THR HG23 H 1 1.125 0.02 . . . . . A 67 THR HG23 . 25905 1 514 . 1 1 67 67 THR CA C 13 60.855 0.2 . . . . . A 67 THR CA . 25905 1 515 . 1 1 67 67 THR CB C 13 73.682 0.2 . . . . . A 67 THR CB . 25905 1 516 . 1 1 67 67 THR CG2 C 13 21.798 0.2 . . . . . A 67 THR CG2 . 25905 1 517 . 1 1 67 67 THR N N 15 103.589 0.2 . . . . . A 67 THR N . 25905 1 518 . 1 1 68 68 ASP H H 1 8.856 0.02 . . . . . A 68 ASP H . 25905 1 519 . 1 1 68 68 ASP HA H 1 4.411 0.02 . . . . . A 68 ASP HA . 25905 1 520 . 1 1 68 68 ASP HB2 H 1 2.388 0.02 . . . . . A 68 ASP HB2 . 25905 1 521 . 1 1 68 68 ASP CA C 13 57.405 0.2 . . . . . A 68 ASP CA . 25905 1 522 . 1 1 68 68 ASP CB C 13 41.087 0.2 . . . . . A 68 ASP CB . 25905 1 523 . 1 1 68 68 ASP N N 15 122.642 0.2 . . . . . A 68 ASP N . 25905 1 524 . 1 1 69 69 VAL H H 1 7.926 0.02 . . . . . A 69 VAL H . 25905 1 525 . 1 1 69 69 VAL HA H 1 3.475 0.02 . . . . . A 69 VAL HA . 25905 1 526 . 1 1 69 69 VAL HB H 1 1.883 0.02 . . . . . A 69 VAL HB . 25905 1 527 . 1 1 69 69 VAL HG21 H 1 0.796 0.02 . . . . . A 69 VAL HG21 . 25905 1 528 . 1 1 69 69 VAL HG22 H 1 0.796 0.02 . . . . . A 69 VAL HG22 . 25905 1 529 . 1 1 69 69 VAL HG23 H 1 0.796 0.02 . . . . . A 69 VAL HG23 . 25905 1 530 . 1 1 69 69 VAL CA C 13 66.100 0.2 . . . . . A 69 VAL CA . 25905 1 531 . 1 1 69 69 VAL CB C 13 31.814 0.2 . . . . . A 69 VAL CB . 25905 1 532 . 1 1 69 69 VAL CG1 C 13 22.977 0.2 . . . . . A 69 VAL CG1 . 25905 1 533 . 1 1 69 69 VAL CG2 C 13 20.932 0.2 . . . . . A 69 VAL CG2 . 25905 1 534 . 1 1 69 69 VAL N N 15 120.437 0.2 . . . . . A 69 VAL N . 25905 1 535 . 1 1 70 70 ASP H H 1 7.752 0.02 . . . . . A 70 ASP H . 25905 1 536 . 1 1 70 70 ASP HA H 1 4.503 0.02 . . . . . A 70 ASP HA . 25905 1 537 . 1 1 70 70 ASP HB2 H 1 3.016 0.02 . . . . . A 70 ASP HB2 . 25905 1 538 . 1 1 70 70 ASP CA C 13 58.077 0.2 . . . . . A 70 ASP CA . 25905 1 539 . 1 1 70 70 ASP CB C 13 41.656 0.2 . . . . . A 70 ASP CB . 25905 1 540 . 1 1 70 70 ASP N N 15 120.353 0.2 . . . . . A 70 ASP N . 25905 1 541 . 1 1 71 71 VAL H H 1 6.981 0.02 . . . . . A 71 VAL H . 25905 1 542 . 1 1 71 71 VAL HA H 1 3.011 0.02 . . . . . A 71 VAL HA . 25905 1 543 . 1 1 71 71 VAL HB H 1 2.343 0.02 . . . . . A 71 VAL HB . 25905 1 544 . 1 1 71 71 VAL HG11 H 1 0.729 0.02 . . . . . A 71 VAL HG11 . 25905 1 545 . 1 1 71 71 VAL HG12 H 1 0.729 0.02 . . . . . A 71 VAL HG12 . 25905 1 546 . 1 1 71 71 VAL HG13 H 1 0.729 0.02 . . . . . A 71 VAL HG13 . 25905 1 547 . 1 1 71 71 VAL HG21 H 1 0.565 0.02 . . . . . A 71 VAL HG21 . 25905 1 548 . 1 1 71 71 VAL HG22 H 1 0.565 0.02 . . . . . A 71 VAL HG22 . 25905 1 549 . 1 1 71 71 VAL HG23 H 1 0.565 0.02 . . . . . A 71 VAL HG23 . 25905 1 550 . 1 1 71 71 VAL CA C 13 66.773 0.2 . . . . . A 71 VAL CA . 25905 1 551 . 1 1 71 71 VAL CB C 13 31.227 0.2 . . . . . A 71 VAL CB . 25905 1 552 . 1 1 71 71 VAL CG1 C 13 22.201 0.2 . . . . . A 71 VAL CG1 . 25905 1 553 . 1 1 71 71 VAL CG2 C 13 20.714 0.2 . . . . . A 71 VAL CG2 . 25905 1 554 . 1 1 71 71 VAL N N 15 120.008 0.2 . . . . . A 71 VAL N . 25905 1 555 . 1 1 72 72 GLN H H 1 7.853 0.02 . . . . . A 72 GLN H . 25905 1 556 . 1 1 72 72 GLN HA H 1 3.824 0.02 . . . . . A 72 GLN HA . 25905 1 557 . 1 1 72 72 GLN HB2 H 1 2.219 0.02 . . . . . A 72 GLN HB2 . 25905 1 558 . 1 1 72 72 GLN HG2 H 1 1.889 0.02 . . . . . A 72 GLN HG2 . 25905 1 559 . 1 1 72 72 GLN HE21 H 1 6.980 0.02 . . . . . A 72 GLN HE21 . 25905 1 560 . 1 1 72 72 GLN CA C 13 60.831 0.2 . . . . . A 72 GLN CA . 25905 1 561 . 1 1 72 72 GLN CB C 13 29.890 0.2 . . . . . A 72 GLN CB . 25905 1 562 . 1 1 72 72 GLN CG C 13 36.418 0.2 . . . . . A 72 GLN CG . 25905 1 563 . 1 1 72 72 GLN N N 15 118.564 0.2 . . . . . A 72 GLN N . 25905 1 564 . 1 1 72 72 GLN NE2 N 15 108.592 0.2 . . . . . A 72 GLN NE2 . 25905 1 565 . 1 1 73 73 ASN H H 1 9.084 0.02 . . . . . A 73 ASN H . 25905 1 566 . 1 1 73 73 ASN HA H 1 4.595 0.02 . . . . . A 73 ASN HA . 25905 1 567 . 1 1 73 73 ASN HB2 H 1 3.053 0.02 . . . . . A 73 ASN HB2 . 25905 1 568 . 1 1 73 73 ASN HB3 H 1 2.884 0.02 . . . . . A 73 ASN HB3 . 25905 1 569 . 1 1 73 73 ASN HD21 H 1 7.980 0.02 . . . . . A 73 ASN HD21 . 25905 1 570 . 1 1 73 73 ASN CA C 13 55.341 0.2 . . . . . A 73 ASN CA . 25905 1 571 . 1 1 73 73 ASN CB C 13 37.472 0.2 . . . . . A 73 ASN CB . 25905 1 572 . 1 1 73 73 ASN N N 15 117.665 0.2 . . . . . A 73 ASN N . 25905 1 573 . 1 1 73 73 ASN ND2 N 15 111.886 0.2 . . . . . A 73 ASN ND2 . 25905 1 574 . 1 1 74 74 ASP H H 1 7.745 0.02 . . . . . A 74 ASP H . 25905 1 575 . 1 1 74 74 ASP HA H 1 4.845 0.02 . . . . . A 74 ASP HA . 25905 1 576 . 1 1 74 74 ASP HB2 H 1 2.874 0.02 . . . . . A 74 ASP HB2 . 25905 1 577 . 1 1 74 74 ASP HB3 H 1 2.515 0.02 . . . . . A 74 ASP HB3 . 25905 1 578 . 1 1 74 74 ASP CA C 13 57.394 0.2 . . . . . A 74 ASP CA . 25905 1 579 . 1 1 74 74 ASP CB C 13 39.400 0.2 . . . . . A 74 ASP CB . 25905 1 580 . 1 1 74 74 ASP N N 15 124.148 0.2 . . . . . A 74 ASP N . 25905 1 581 . 1 1 75 75 VAL H H 1 7.963 0.02 . . . . . A 75 VAL H . 25905 1 582 . 1 1 75 75 VAL HA H 1 3.258 0.02 . . . . . A 75 VAL HA . 25905 1 583 . 1 1 75 75 VAL HB H 1 2.277 0.02 . . . . . A 75 VAL HB . 25905 1 584 . 1 1 75 75 VAL HG11 H 1 0.769 0.02 . . . . . A 75 VAL HG11 . 25905 1 585 . 1 1 75 75 VAL HG12 H 1 0.769 0.02 . . . . . A 75 VAL HG12 . 25905 1 586 . 1 1 75 75 VAL HG13 H 1 0.769 0.02 . . . . . A 75 VAL HG13 . 25905 1 587 . 1 1 75 75 VAL HG21 H 1 0.547 0.02 . . . . . A 75 VAL HG21 . 25905 1 588 . 1 1 75 75 VAL HG22 H 1 0.547 0.02 . . . . . A 75 VAL HG22 . 25905 1 589 . 1 1 75 75 VAL HG23 H 1 0.547 0.02 . . . . . A 75 VAL HG23 . 25905 1 590 . 1 1 75 75 VAL CA C 13 67.125 0.2 . . . . . A 75 VAL CA . 25905 1 591 . 1 1 75 75 VAL CB C 13 31.047 0.2 . . . . . A 75 VAL CB . 25905 1 592 . 1 1 75 75 VAL N N 15 121.980 0.2 . . . . . A 75 VAL N . 25905 1 593 . 1 1 76 76 ALA H H 1 8.502 0.02 . . . . . A 76 ALA H . 25905 1 594 . 1 1 76 76 ALA HA H 1 3.449 0.02 . . . . . A 76 ALA HA . 25905 1 595 . 1 1 76 76 ALA HB1 H 1 1.568 0.02 . . . . . A 76 ALA HB1 . 25905 1 596 . 1 1 76 76 ALA HB2 H 1 1.568 0.02 . . . . . A 76 ALA HB2 . 25905 1 597 . 1 1 76 76 ALA HB3 H 1 1.568 0.02 . . . . . A 76 ALA HB3 . 25905 1 598 . 1 1 76 76 ALA CB C 13 18.165 0.2 . . . . . A 76 ALA CB . 25905 1 599 . 1 1 76 76 ALA N N 15 121.703 0.2 . . . . . A 76 ALA N . 25905 1 600 . 1 1 77 77 ARG H H 1 7.919 0.02 . . . . . A 77 ARG H . 25905 1 601 . 1 1 77 77 ARG CA C 13 58.957 0.2 . . . . . A 77 ARG CA . 25905 1 602 . 1 1 77 77 ARG CB C 13 30.553 0.2 . . . . . A 77 ARG CB . 25905 1 603 . 1 1 77 77 ARG CG C 13 27.499 0.2 . . . . . A 77 ARG CG . 25905 1 604 . 1 1 77 77 ARG N N 15 119.928 0.2 . . . . . A 77 ARG N . 25905 1 605 . 1 1 78 78 MET H H 1 8.166 0.02 . . . . . A 78 MET H . 25905 1 606 . 1 1 78 78 MET HA H 1 3.692 0.02 . . . . . A 78 MET HA . 25905 1 607 . 1 1 78 78 MET HB2 H 1 1.878 0.02 . . . . . A 78 MET HB2 . 25905 1 608 . 1 1 78 78 MET HG2 H 1 2.538 0.02 . . . . . A 78 MET HG2 . 25905 1 609 . 1 1 78 78 MET HE1 H 1 1.966 0.02 . . . . . A 78 MET HE1 . 25905 1 610 . 1 1 78 78 MET HE2 H 1 1.966 0.02 . . . . . A 78 MET HE2 . 25905 1 611 . 1 1 78 78 MET HE3 H 1 1.966 0.02 . . . . . A 78 MET HE3 . 25905 1 612 . 1 1 78 78 MET CA C 13 59.481 0.2 . . . . . A 78 MET CA . 25905 1 613 . 1 1 78 78 MET CB C 13 33.917 0.2 . . . . . A 78 MET CB . 25905 1 614 . 1 1 78 78 MET CG C 13 31.599 0.2 . . . . . A 78 MET CG . 25905 1 615 . 1 1 78 78 MET N N 15 120.866 0.2 . . . . . A 78 MET N . 25905 1 616 . 1 1 79 79 ILE H H 1 7.837 0.02 . . . . . A 79 ILE H . 25905 1 617 . 1 1 79 79 ILE HA H 1 3.455 0.02 . . . . . A 79 ILE HA . 25905 1 618 . 1 1 79 79 ILE HB H 1 1.665 0.02 . . . . . A 79 ILE HB . 25905 1 619 . 1 1 79 79 ILE HD11 H 1 0.831 0.02 . . . . . A 79 ILE HD11 . 25905 1 620 . 1 1 79 79 ILE HD12 H 1 0.831 0.02 . . . . . A 79 ILE HD12 . 25905 1 621 . 1 1 79 79 ILE HD13 H 1 0.831 0.02 . . . . . A 79 ILE HD13 . 25905 1 622 . 1 1 79 79 ILE CA C 13 66.144 0.2 . . . . . A 79 ILE CA . 25905 1 623 . 1 1 79 79 ILE CB C 13 38.638 0.2 . . . . . A 79 ILE CB . 25905 1 624 . 1 1 79 79 ILE CG1 C 13 29.085 0.2 . . . . . A 79 ILE CG1 . 25905 1 625 . 1 1 79 79 ILE CG2 C 13 17.926 0.2 . . . . . A 79 ILE CG2 . 25905 1 626 . 1 1 79 79 ILE N N 15 120.889 0.2 . . . . . A 79 ILE N . 25905 1 627 . 1 1 80 80 THR H H 1 8.586 0.02 . . . . . A 80 THR H . 25905 1 628 . 1 1 80 80 THR HA H 1 4.222 0.02 . . . . . A 80 THR HA . 25905 1 629 . 1 1 80 80 THR HB H 1 3.726 0.02 . . . . . A 80 THR HB . 25905 1 630 . 1 1 80 80 THR HG21 H 1 1.234 0.02 . . . . . A 80 THR HG21 . 25905 1 631 . 1 1 80 80 THR HG22 H 1 1.234 0.02 . . . . . A 80 THR HG22 . 25905 1 632 . 1 1 80 80 THR HG23 H 1 1.234 0.02 . . . . . A 80 THR HG23 . 25905 1 633 . 1 1 80 80 THR CA C 13 67.350 0.2 . . . . . A 80 THR CA . 25905 1 634 . 1 1 80 80 THR CB C 13 68.820 0.2 . . . . . A 80 THR CB . 25905 1 635 . 1 1 80 80 THR CG2 C 13 22.245 0.2 . . . . . A 80 THR CG2 . 25905 1 636 . 1 1 80 80 THR N N 15 117.486 0.2 . . . . . A 80 THR N . 25905 1 637 . 1 1 81 81 ASN H H 1 8.997 0.02 . . . . . A 81 ASN H . 25905 1 638 . 1 1 81 81 ASN HA H 1 4.285 0.02 . . . . . A 81 ASN HA . 25905 1 639 . 1 1 81 81 ASN HB2 H 1 3.109 0.02 . . . . . A 81 ASN HB2 . 25905 1 640 . 1 1 81 81 ASN HB3 H 1 2.678 0.02 . . . . . A 81 ASN HB3 . 25905 1 641 . 1 1 81 81 ASN HD21 H 1 6.786 0.02 . . . . . A 81 ASN HD21 . 25905 1 642 . 1 1 81 81 ASN CA C 13 55.398 0.2 . . . . . A 81 ASN CA . 25905 1 643 . 1 1 81 81 ASN CB C 13 37.743 0.2 . . . . . A 81 ASN CB . 25905 1 644 . 1 1 81 81 ASN N N 15 119.977 0.2 . . . . . A 81 ASN N . 25905 1 645 . 1 1 81 81 ASN ND2 N 15 110.367 0.2 . . . . . A 81 ASN ND2 . 25905 1 646 . 1 1 82 82 ALA H H 1 7.204 0.02 . . . . . A 82 ALA H . 25905 1 647 . 1 1 82 82 ALA HA H 1 3.892 0.02 . . . . . A 82 ALA HA . 25905 1 648 . 1 1 82 82 ALA HB1 H 1 1.774 0.02 . . . . . A 82 ALA HB1 . 25905 1 649 . 1 1 82 82 ALA HB2 H 1 1.774 0.02 . . . . . A 82 ALA HB2 . 25905 1 650 . 1 1 82 82 ALA HB3 H 1 1.774 0.02 . . . . . A 82 ALA HB3 . 25905 1 651 . 1 1 82 82 ALA CA C 13 55.178 0.2 . . . . . A 82 ALA CA . 25905 1 652 . 1 1 82 82 ALA CB C 13 18.984 0.2 . . . . . A 82 ALA CB . 25905 1 653 . 1 1 82 82 ALA N N 15 120.346 0.2 . . . . . A 82 ALA N . 25905 1 654 . 1 1 83 83 LEU H H 1 7.918 0.02 . . . . . A 83 LEU H . 25905 1 655 . 1 1 83 83 LEU HA H 1 4.173 0.02 . . . . . A 83 LEU HA . 25905 1 656 . 1 1 83 83 LEU HB2 H 1 2.011 0.02 . . . . . A 83 LEU HB2 . 25905 1 657 . 1 1 83 83 LEU HB3 H 1 1.464 0.02 . . . . . A 83 LEU HB3 . 25905 1 658 . 1 1 83 83 LEU HG H 1 1.634 0.02 . . . . . A 83 LEU HG . 25905 1 659 . 1 1 83 83 LEU HD11 H 1 0.734 0.02 . . . . . A 83 LEU HD11 . 25905 1 660 . 1 1 83 83 LEU HD12 H 1 0.734 0.02 . . . . . A 83 LEU HD12 . 25905 1 661 . 1 1 83 83 LEU HD13 H 1 0.734 0.02 . . . . . A 83 LEU HD13 . 25905 1 662 . 1 1 83 83 LEU HD21 H 1 0.138 0.02 . . . . . A 83 LEU HD21 . 25905 1 663 . 1 1 83 83 LEU HD22 H 1 0.138 0.02 . . . . . A 83 LEU HD22 . 25905 1 664 . 1 1 83 83 LEU HD23 H 1 0.138 0.02 . . . . . A 83 LEU HD23 . 25905 1 665 . 1 1 83 83 LEU CA C 13 56.799 0.2 . . . . . A 83 LEU CA . 25905 1 666 . 1 1 83 83 LEU CB C 13 41.423 0.2 . . . . . A 83 LEU CB . 25905 1 667 . 1 1 83 83 LEU CG C 13 26.218 0.2 . . . . . A 83 LEU CG . 25905 1 668 . 1 1 83 83 LEU CD1 C 13 23.762 0.2 . . . . . A 83 LEU CD1 . 25905 1 669 . 1 1 83 83 LEU CD2 C 13 21.505 0.2 . . . . . A 83 LEU CD2 . 25905 1 670 . 1 1 83 83 LEU N N 15 119.805 0.2 . . . . . A 83 LEU N . 25905 1 671 . 1 1 84 84 GLU H H 1 8.031 0.02 . . . . . A 84 GLU H . 25905 1 672 . 1 1 84 84 GLU HA H 1 4.210 0.02 . . . . . A 84 GLU HA . 25905 1 673 . 1 1 84 84 GLU HB2 H 1 1.952 0.02 . . . . . A 84 GLU HB2 . 25905 1 674 . 1 1 84 84 GLU HG2 H 1 2.376 0.02 . . . . . A 84 GLU HG2 . 25905 1 675 . 1 1 84 84 GLU HG3 H 1 2.135 0.02 . . . . . A 84 GLU HG3 . 25905 1 676 . 1 1 84 84 GLU CA C 13 57.965 0.2 . . . . . A 84 GLU CA . 25905 1 677 . 1 1 84 84 GLU CB C 13 30.087 0.2 . . . . . A 84 GLU CB . 25905 1 678 . 1 1 84 84 GLU CG C 13 36.280 0.2 . . . . . A 84 GLU CG . 25905 1 679 . 1 1 84 84 GLU N N 15 117.889 0.2 . . . . . A 84 GLU N . 25905 1 680 . 1 1 85 85 TYR H H 1 8.179 0.02 . . . . . A 85 TYR H . 25905 1 681 . 1 1 85 85 TYR HA H 1 4.181 0.02 . . . . . A 85 TYR HA . 25905 1 682 . 1 1 85 85 TYR HB2 H 1 2.937 0.02 . . . . . A 85 TYR HB2 . 25905 1 683 . 1 1 85 85 TYR HB3 H 1 2.750 0.02 . . . . . A 85 TYR HB3 . 25905 1 684 . 1 1 85 85 TYR CA C 13 61.138 0.2 . . . . . A 85 TYR CA . 25905 1 685 . 1 1 85 85 TYR CB C 13 40.665 0.2 . . . . . A 85 TYR CB . 25905 1 686 . 1 1 85 85 TYR N N 15 116.330 0.2 . . . . . A 85 TYR N . 25905 1 687 . 1 1 86 86 ASN H H 1 7.411 0.02 . . . . . A 86 ASN H . 25905 1 688 . 1 1 86 86 ASN HA H 1 4.457 0.02 . . . . . A 86 ASN HA . 25905 1 689 . 1 1 86 86 ASN HB2 H 1 2.739 0.02 . . . . . A 86 ASN HB2 . 25905 1 690 . 1 1 86 86 ASN CA C 13 53.712 0.2 . . . . . A 86 ASN CA . 25905 1 691 . 1 1 86 86 ASN CB C 13 41.230 0.2 . . . . . A 86 ASN CB . 25905 1 692 . 1 1 86 86 ASN N N 15 113.714 0.2 . . . . . A 86 ASN N . 25905 1 693 . 1 1 87 87 ALA H H 1 8.665 0.02 . . . . . A 87 ALA H . 25905 1 694 . 1 1 87 87 ALA HA H 1 4.080 0.02 . . . . . A 87 ALA HA . 25905 1 695 . 1 1 87 87 ALA HB1 H 1 1.324 0.02 . . . . . A 87 ALA HB1 . 25905 1 696 . 1 1 87 87 ALA HB2 H 1 1.324 0.02 . . . . . A 87 ALA HB2 . 25905 1 697 . 1 1 87 87 ALA HB3 H 1 1.324 0.02 . . . . . A 87 ALA HB3 . 25905 1 698 . 1 1 87 87 ALA CA C 13 51.768 0.2 . . . . . A 87 ALA CA . 25905 1 699 . 1 1 87 87 ALA CB C 13 19.004 0.2 . . . . . A 87 ALA CB . 25905 1 700 . 1 1 87 87 ALA N N 15 122.163 0.2 . . . . . A 87 ALA N . 25905 1 701 . 1 1 88 88 LYS H H 1 8.604 0.02 . . . . . A 88 LYS H . 25905 1 702 . 1 1 88 88 LYS HA H 1 2.170 0.02 . . . . . A 88 LYS HA . 25905 1 703 . 1 1 88 88 LYS HB2 H 1 1.380 0.02 . . . . . A 88 LYS HB2 . 25905 1 704 . 1 1 88 88 LYS HG2 H 1 1.047 0.02 . . . . . A 88 LYS HG2 . 25905 1 705 . 1 1 88 88 LYS CA C 13 58.137 0.2 . . . . . A 88 LYS CA . 25905 1 706 . 1 1 88 88 LYS CB C 13 31.508 0.2 . . . . . A 88 LYS CB . 25905 1 707 . 1 1 88 88 LYS CG C 13 25.026 0.2 . . . . . A 88 LYS CG . 25905 1 708 . 1 1 88 88 LYS CD C 13 29.609 0.2 . . . . . A 88 LYS CD . 25905 1 709 . 1 1 88 88 LYS CE C 13 42.008 0.2 . . . . . A 88 LYS CE . 25905 1 710 . 1 1 88 88 LYS N N 15 124.465 0.2 . . . . . A 88 LYS N . 25905 1 711 . 1 1 89 89 GLY H H 1 6.965 0.02 . . . . . A 89 GLY H . 25905 1 712 . 1 1 89 89 GLY HA2 H 1 3.762 0.02 . . . . . A 89 GLY HA2 . 25905 1 713 . 1 1 89 89 GLY CA C 13 45.256 0.2 . . . . . A 89 GLY CA . 25905 1 714 . 1 1 89 89 GLY N N 15 111.214 0.2 . . . . . A 89 GLY N . 25905 1 715 . 1 1 90 90 SER H H 1 8.005 0.02 . . . . . A 90 SER H . 25905 1 716 . 1 1 90 90 SER HA H 1 4.524 0.02 . . . . . A 90 SER HA . 25905 1 717 . 1 1 90 90 SER HB2 H 1 4.142 0.02 . . . . . A 90 SER HB2 . 25905 1 718 . 1 1 90 90 SER CA C 13 58.340 0.2 . . . . . A 90 SER CA . 25905 1 719 . 1 1 90 90 SER CB C 13 66.082 0.2 . . . . . A 90 SER CB . 25905 1 720 . 1 1 90 90 SER N N 15 116.153 0.2 . . . . . A 90 SER N . 25905 1 721 . 1 1 91 91 THR H H 1 8.945 0.02 . . . . . A 91 THR H . 25905 1 722 . 1 1 91 91 THR HA H 1 3.892 0.02 . . . . . A 91 THR HA . 25905 1 723 . 1 1 91 91 THR HG21 H 1 1.074 0.02 . . . . . A 91 THR HG21 . 25905 1 724 . 1 1 91 91 THR HG22 H 1 1.074 0.02 . . . . . A 91 THR HG22 . 25905 1 725 . 1 1 91 91 THR HG23 H 1 1.074 0.02 . . . . . A 91 THR HG23 . 25905 1 726 . 1 1 91 91 THR CA C 13 65.645 0.2 . . . . . A 91 THR CA . 25905 1 727 . 1 1 91 91 THR CB C 13 67.919 0.2 . . . . . A 91 THR CB . 25905 1 728 . 1 1 91 91 THR CG2 C 13 22.195 0.2 . . . . . A 91 THR CG2 . 25905 1 729 . 1 1 91 91 THR N N 15 117.085 0.2 . . . . . A 91 THR N . 25905 1 730 . 1 1 92 92 TRP H H 1 7.834 0.02 . . . . . A 92 TRP H . 25905 1 731 . 1 1 92 92 TRP HA H 1 4.266 0.02 . . . . . A 92 TRP HA . 25905 1 732 . 1 1 92 92 TRP HB2 H 1 2.863 0.02 . . . . . A 92 TRP HB2 . 25905 1 733 . 1 1 92 92 TRP HE1 H 1 8.608 0.02 . . . . . A 92 TRP HE1 . 25905 1 734 . 1 1 92 92 TRP CA C 13 60.153 0.2 . . . . . A 92 TRP CA . 25905 1 735 . 1 1 92 92 TRP CB C 13 28.800 0.2 . . . . . A 92 TRP CB . 25905 1 736 . 1 1 92 92 TRP N N 15 121.387 0.2 . . . . . A 92 TRP N . 25905 1 737 . 1 1 92 92 TRP NE1 N 15 129.009 0.2 . . . . . A 92 TRP NE1 . 25905 1 738 . 1 1 93 93 TYR H H 1 7.640 0.02 . . . . . A 93 TYR H . 25905 1 739 . 1 1 93 93 TYR HA H 1 3.729 0.02 . . . . . A 93 TYR HA . 25905 1 740 . 1 1 93 93 TYR HB2 H 1 3.216 0.02 . . . . . A 93 TYR HB2 . 25905 1 741 . 1 1 93 93 TYR HB3 H 1 2.675 0.02 . . . . . A 93 TYR HB3 . 25905 1 742 . 1 1 93 93 TYR CA C 13 62.268 0.2 . . . . . A 93 TYR CA . 25905 1 743 . 1 1 93 93 TYR CB C 13 40.168 0.2 . . . . . A 93 TYR CB . 25905 1 744 . 1 1 93 93 TYR N N 15 120.162 0.2 . . . . . A 93 TYR N . 25905 1 745 . 1 1 94 94 GLN H H 1 8.427 0.02 . . . . . A 94 GLN H . 25905 1 746 . 1 1 94 94 GLN HA H 1 4.031 0.02 . . . . . A 94 GLN HA . 25905 1 747 . 1 1 94 94 GLN HB2 H 1 2.201 0.02 . . . . . A 94 GLN HB2 . 25905 1 748 . 1 1 94 94 GLN HE21 H 1 6.984 0.02 . . . . . A 94 GLN HE21 . 25905 1 749 . 1 1 94 94 GLN CA C 13 59.147 0.2 . . . . . A 94 GLN CA . 25905 1 750 . 1 1 94 94 GLN CB C 13 28.710 0.2 . . . . . A 94 GLN CB . 25905 1 751 . 1 1 94 94 GLN N N 15 116.090 0.2 . . . . . A 94 GLN N . 25905 1 752 . 1 1 94 94 GLN NE2 N 15 108.606 0.2 . . . . . A 94 GLN NE2 . 25905 1 753 . 1 1 95 95 GLU H H 1 8.154 0.02 . . . . . A 95 GLU H . 25905 1 754 . 1 1 95 95 GLU HA H 1 4.253 0.02 . . . . . A 95 GLU HA . 25905 1 755 . 1 1 95 95 GLU HB2 H 1 2.216 0.02 . . . . . A 95 GLU HB2 . 25905 1 756 . 1 1 95 95 GLU HB3 H 1 2.088 0.02 . . . . . A 95 GLU HB3 . 25905 1 757 . 1 1 95 95 GLU HG2 H 1 2.384 0.02 . . . . . A 95 GLU HG2 . 25905 1 758 . 1 1 95 95 GLU HG3 H 1 2.257 0.02 . . . . . A 95 GLU HG3 . 25905 1 759 . 1 1 95 95 GLU CA C 13 59.384 0.2 . . . . . A 95 GLU CA . 25905 1 760 . 1 1 95 95 GLU CB C 13 28.593 0.2 . . . . . A 95 GLU CB . 25905 1 761 . 1 1 95 95 GLU CG C 13 34.914 0.2 . . . . . A 95 GLU CG . 25905 1 762 . 1 1 95 95 GLU N N 15 120.712 0.2 . . . . . A 95 GLU N . 25905 1 763 . 1 1 96 96 ALA H H 1 8.293 0.02 . . . . . A 96 ALA H . 25905 1 764 . 1 1 96 96 ALA HA H 1 4.071 0.02 . . . . . A 96 ALA HA . 25905 1 765 . 1 1 96 96 ALA HB1 H 1 1.473 0.02 . . . . . A 96 ALA HB1 . 25905 1 766 . 1 1 96 96 ALA HB2 H 1 1.473 0.02 . . . . . A 96 ALA HB2 . 25905 1 767 . 1 1 96 96 ALA HB3 H 1 1.473 0.02 . . . . . A 96 ALA HB3 . 25905 1 768 . 1 1 96 96 ALA CA C 13 56.126 0.2 . . . . . A 96 ALA CA . 25905 1 769 . 1 1 96 96 ALA CB C 13 17.660 0.2 . . . . . A 96 ALA CB . 25905 1 770 . 1 1 96 96 ALA N N 15 122.972 0.2 . . . . . A 96 ALA N . 25905 1 771 . 1 1 97 97 MET H H 1 8.601 0.02 . . . . . A 97 MET H . 25905 1 772 . 1 1 97 97 MET HA H 1 4.285 0.02 . . . . . A 97 MET HA . 25905 1 773 . 1 1 97 97 MET HB2 H 1 2.073 0.02 . . . . . A 97 MET HB2 . 25905 1 774 . 1 1 97 97 MET HG2 H 1 2.453 0.02 . . . . . A 97 MET HG2 . 25905 1 775 . 1 1 97 97 MET CA C 13 57.400 0.2 . . . . . A 97 MET CA . 25905 1 776 . 1 1 97 97 MET CB C 13 30.752 0.2 . . . . . A 97 MET CB . 25905 1 777 . 1 1 97 97 MET CG C 13 32.612 0.2 . . . . . A 97 MET CG . 25905 1 778 . 1 1 97 97 MET N N 15 118.331 0.2 . . . . . A 97 MET N . 25905 1 779 . 1 1 98 98 SER H H 1 7.942 0.02 . . . . . A 98 SER H . 25905 1 780 . 1 1 98 98 SER HA H 1 4.311 0.02 . . . . . A 98 SER HA . 25905 1 781 . 1 1 98 98 SER HB2 H 1 4.191 0.02 . . . . . A 98 SER HB2 . 25905 1 782 . 1 1 98 98 SER CA C 13 62.132 0.2 . . . . . A 98 SER CA . 25905 1 783 . 1 1 98 98 SER N N 15 116.634 0.2 . . . . . A 98 SER N . 25905 1 784 . 1 1 99 99 PHE H H 1 8.679 0.02 . . . . . A 99 PHE H . 25905 1 785 . 1 1 99 99 PHE HA H 1 4.128 0.02 . . . . . A 99 PHE HA . 25905 1 786 . 1 1 99 99 PHE HB2 H 1 3.566 0.02 . . . . . A 99 PHE HB2 . 25905 1 787 . 1 1 99 99 PHE HB3 H 1 2.680 0.02 . . . . . A 99 PHE HB3 . 25905 1 788 . 1 1 99 99 PHE CA C 13 61.828 0.2 . . . . . A 99 PHE CA . 25905 1 789 . 1 1 99 99 PHE CB C 13 38.295 0.2 . . . . . A 99 PHE CB . 25905 1 790 . 1 1 99 99 PHE N N 15 123.747 0.2 . . . . . A 99 PHE N . 25905 1 791 . 1 1 100 100 ARG H H 1 8.862 0.02 . . . . . A 100 ARG H . 25905 1 792 . 1 1 100 100 ARG HA H 1 4.119 0.02 . . . . . A 100 ARG HA . 25905 1 793 . 1 1 100 100 ARG HB2 H 1 2.383 0.02 . . . . . A 100 ARG HB2 . 25905 1 794 . 1 1 100 100 ARG HB3 H 1 1.930 0.02 . . . . . A 100 ARG HB3 . 25905 1 795 . 1 1 100 100 ARG HG2 H 1 1.706 0.02 . . . . . A 100 ARG HG2 . 25905 1 796 . 1 1 100 100 ARG HD2 H 1 3.180 0.02 . . . . . A 100 ARG HD2 . 25905 1 797 . 1 1 100 100 ARG CA C 13 59.997 0.2 . . . . . A 100 ARG CA . 25905 1 798 . 1 1 100 100 ARG CB C 13 29.728 0.2 . . . . . A 100 ARG CB . 25905 1 799 . 1 1 100 100 ARG CG C 13 26.813 0.2 . . . . . A 100 ARG CG . 25905 1 800 . 1 1 100 100 ARG N N 15 121.985 0.2 . . . . . A 100 ARG N . 25905 1 801 . 1 1 101 101 LYS H H 1 7.666 0.02 . . . . . A 101 LYS H . 25905 1 802 . 1 1 101 101 LYS HA H 1 4.250 0.02 . . . . . A 101 LYS HA . 25905 1 803 . 1 1 101 101 LYS HB2 H 1 2.025 0.02 . . . . . A 101 LYS HB2 . 25905 1 804 . 1 1 101 101 LYS HD2 H 1 1.688 0.02 . . . . . A 101 LYS HD2 . 25905 1 805 . 1 1 101 101 LYS HE2 H 1 2.960 0.02 . . . . . A 101 LYS HE2 . 25905 1 806 . 1 1 101 101 LYS CA C 13 58.261 0.2 . . . . . A 101 LYS CA . 25905 1 807 . 1 1 101 101 LYS CB C 13 33.434 0.2 . . . . . A 101 LYS CB . 25905 1 808 . 1 1 101 101 LYS CG C 13 25.228 0.2 . . . . . A 101 LYS CG . 25905 1 809 . 1 1 101 101 LYS CD C 13 29.297 0.2 . . . . . A 101 LYS CD . 25905 1 810 . 1 1 101 101 LYS CE C 13 42.459 0.2 . . . . . A 101 LYS CE . 25905 1 811 . 1 1 101 101 LYS N N 15 115.069 0.2 . . . . . A 101 LYS N . 25905 1 812 . 1 1 102 102 THR H H 1 7.559 0.02 . . . . . A 102 THR H . 25905 1 813 . 1 1 102 102 THR HA H 1 4.633 0.02 . . . . . A 102 THR HA . 25905 1 814 . 1 1 102 102 THR HB H 1 4.087 0.02 . . . . . A 102 THR HB . 25905 1 815 . 1 1 102 102 THR HG21 H 1 1.154 0.02 . . . . . A 102 THR HG21 . 25905 1 816 . 1 1 102 102 THR HG22 H 1 1.154 0.02 . . . . . A 102 THR HG22 . 25905 1 817 . 1 1 102 102 THR HG23 H 1 1.154 0.02 . . . . . A 102 THR HG23 . 25905 1 818 . 1 1 102 102 THR CA C 13 62.886 0.2 . . . . . A 102 THR CA . 25905 1 819 . 1 1 102 102 THR CB C 13 71.786 0.2 . . . . . A 102 THR CB . 25905 1 820 . 1 1 102 102 THR CG2 C 13 21.600 0.2 . . . . . A 102 THR CG2 . 25905 1 821 . 1 1 102 102 THR N N 15 108.543 0.2 . . . . . A 102 THR N . 25905 1 822 . 1 1 103 103 TYR H H 1 8.795 0.02 . . . . . A 103 TYR H . 25905 1 823 . 1 1 103 103 TYR HA H 1 4.169 0.02 . . . . . A 103 TYR HA . 25905 1 824 . 1 1 103 103 TYR HB2 H 1 3.133 0.02 . . . . . A 103 TYR HB2 . 25905 1 825 . 1 1 103 103 TYR HB3 H 1 2.811 0.02 . . . . . A 103 TYR HB3 . 25905 1 826 . 1 1 103 103 TYR CA C 13 62.414 0.2 . . . . . A 103 TYR CA . 25905 1 827 . 1 1 103 103 TYR CB C 13 36.681 0.2 . . . . . A 103 TYR CB . 25905 1 828 . 1 1 103 103 TYR N N 15 122.299 0.2 . . . . . A 103 TYR N . 25905 1 829 . 1 1 104 104 LEU H H 1 7.528 0.02 . . . . . A 104 LEU H . 25905 1 830 . 1 1 104 104 LEU HA H 1 3.644 0.02 . . . . . A 104 LEU HA . 25905 1 831 . 1 1 104 104 LEU HB2 H 1 1.325 0.02 . . . . . A 104 LEU HB2 . 25905 1 832 . 1 1 104 104 LEU HB3 H 1 1.008 0.02 . . . . . A 104 LEU HB3 . 25905 1 833 . 1 1 104 104 LEU HD11 H 1 0.628 0.02 . . . . . A 104 LEU HD11 . 25905 1 834 . 1 1 104 104 LEU HD12 H 1 0.628 0.02 . . . . . A 104 LEU HD12 . 25905 1 835 . 1 1 104 104 LEU HD13 H 1 0.628 0.02 . . . . . A 104 LEU HD13 . 25905 1 836 . 1 1 104 104 LEU HD21 H 1 0.446 0.02 . . . . . A 104 LEU HD21 . 25905 1 837 . 1 1 104 104 LEU HD22 H 1 0.446 0.02 . . . . . A 104 LEU HD22 . 25905 1 838 . 1 1 104 104 LEU HD23 H 1 0.446 0.02 . . . . . A 104 LEU HD23 . 25905 1 839 . 1 1 104 104 LEU CA C 13 57.552 0.2 . . . . . A 104 LEU CA . 25905 1 840 . 1 1 104 104 LEU CB C 13 40.322 0.2 . . . . . A 104 LEU CB . 25905 1 841 . 1 1 104 104 LEU CD1 C 13 24.836 0.2 . . . . . A 104 LEU CD1 . 25905 1 842 . 1 1 104 104 LEU CD2 C 13 23.133 0.2 . . . . . A 104 LEU CD2 . 25905 1 843 . 1 1 104 104 LEU N N 15 121.843 0.2 . . . . . A 104 LEU N . 25905 1 844 . 1 1 105 105 ASP H H 1 7.788 0.02 . . . . . A 105 ASP H . 25905 1 845 . 1 1 105 105 ASP HA H 1 4.330 0.02 . . . . . A 105 ASP HA . 25905 1 846 . 1 1 105 105 ASP HB2 H 1 2.702 0.02 . . . . . A 105 ASP HB2 . 25905 1 847 . 1 1 105 105 ASP HB3 H 1 2.631 0.02 . . . . . A 105 ASP HB3 . 25905 1 848 . 1 1 105 105 ASP CA C 13 57.395 0.2 . . . . . A 105 ASP CA . 25905 1 849 . 1 1 105 105 ASP CB C 13 40.579 0.2 . . . . . A 105 ASP CB . 25905 1 850 . 1 1 105 105 ASP N N 15 121.854 0.2 . . . . . A 105 ASP N . 25905 1 851 . 1 1 106 106 LEU H H 1 7.900 0.02 . . . . . A 106 LEU H . 25905 1 852 . 1 1 106 106 LEU HA H 1 3.982 0.02 . . . . . A 106 LEU HA . 25905 1 853 . 1 1 106 106 LEU HB2 H 1 2.012 0.02 . . . . . A 106 LEU HB2 . 25905 1 854 . 1 1 106 106 LEU HB3 H 1 1.464 0.02 . . . . . A 106 LEU HB3 . 25905 1 855 . 1 1 106 106 LEU HG H 1 1.733 0.02 . . . . . A 106 LEU HG . 25905 1 856 . 1 1 106 106 LEU HD21 H 1 0.730 0.02 . . . . . A 106 LEU HD21 . 25905 1 857 . 1 1 106 106 LEU HD22 H 1 0.730 0.02 . . . . . A 106 LEU HD22 . 25905 1 858 . 1 1 106 106 LEU HD23 H 1 0.730 0.02 . . . . . A 106 LEU HD23 . 25905 1 859 . 1 1 106 106 LEU CA C 13 57.700 0.2 . . . . . A 106 LEU CA . 25905 1 860 . 1 1 106 106 LEU CB C 13 41.721 0.2 . . . . . A 106 LEU CB . 25905 1 861 . 1 1 106 106 LEU CG C 13 27.198 0.2 . . . . . A 106 LEU CG . 25905 1 862 . 1 1 106 106 LEU CD1 C 13 24.645 0.2 . . . . . A 106 LEU CD1 . 25905 1 863 . 1 1 106 106 LEU CD2 C 13 23.498 0.2 . . . . . A 106 LEU CD2 . 25905 1 864 . 1 1 106 106 LEU N N 15 119.721 0.2 . . . . . A 106 LEU N . 25905 1 865 . 1 1 107 107 ALA H H 1 8.317 0.02 . . . . . A 107 ALA H . 25905 1 866 . 1 1 107 107 ALA HA H 1 3.016 0.02 . . . . . A 107 ALA HA . 25905 1 867 . 1 1 107 107 ALA HB1 H 1 0.835 0.02 . . . . . A 107 ALA HB1 . 25905 1 868 . 1 1 107 107 ALA HB2 H 1 0.835 0.02 . . . . . A 107 ALA HB2 . 25905 1 869 . 1 1 107 107 ALA HB3 H 1 0.835 0.02 . . . . . A 107 ALA HB3 . 25905 1 870 . 1 1 107 107 ALA CA C 13 55.647 0.2 . . . . . A 107 ALA CA . 25905 1 871 . 1 1 107 107 ALA CB C 13 17.073 0.2 . . . . . A 107 ALA CB . 25905 1 872 . 1 1 107 107 ALA N N 15 125.543 0.2 . . . . . A 107 ALA N . 25905 1 873 . 1 1 108 108 ARG H H 1 7.682 0.02 . . . . . A 108 ARG H . 25905 1 874 . 1 1 108 108 ARG HA H 1 3.954 0.02 . . . . . A 108 ARG HA . 25905 1 875 . 1 1 108 108 ARG HB2 H 1 1.776 0.02 . . . . . A 108 ARG HB2 . 25905 1 876 . 1 1 108 108 ARG HG2 H 1 1.418 0.02 . . . . . A 108 ARG HG2 . 25905 1 877 . 1 1 108 108 ARG HD2 H 1 3.054 0.02 . . . . . A 108 ARG HD2 . 25905 1 878 . 1 1 108 108 ARG HE H 1 7.232 0.02 . . . . . A 108 ARG HE . 25905 1 879 . 1 1 108 108 ARG CA C 13 59.464 0.2 . . . . . A 108 ARG CA . 25905 1 880 . 1 1 108 108 ARG CB C 13 29.618 0.2 . . . . . A 108 ARG CB . 25905 1 881 . 1 1 108 108 ARG CG C 13 26.825 0.2 . . . . . A 108 ARG CG . 25905 1 882 . 1 1 108 108 ARG N N 15 120.270 0.2 . . . . . A 108 ARG N . 25905 1 883 . 1 1 109 109 GLN H H 1 8.455 0.02 . . . . . A 109 GLN H . 25905 1 884 . 1 1 109 109 GLN HA H 1 3.979 0.02 . . . . . A 109 GLN HA . 25905 1 885 . 1 1 109 109 GLN HB2 H 1 2.087 0.02 . . . . . A 109 GLN HB2 . 25905 1 886 . 1 1 109 109 GLN HG2 H 1 2.526 0.02 . . . . . A 109 GLN HG2 . 25905 1 887 . 1 1 109 109 GLN HG3 H 1 2.363 0.02 . . . . . A 109 GLN HG3 . 25905 1 888 . 1 1 109 109 GLN HE21 H 1 7.356 0.02 . . . . . A 109 GLN HE21 . 25905 1 889 . 1 1 109 109 GLN CA C 13 58.464 0.2 . . . . . A 109 GLN CA . 25905 1 890 . 1 1 109 109 GLN CB C 13 28.978 0.2 . . . . . A 109 GLN CB . 25905 1 891 . 1 1 109 109 GLN CG C 13 34.155 0.2 . . . . . A 109 GLN CG . 25905 1 892 . 1 1 109 109 GLN N N 15 119.528 0.2 . . . . . A 109 GLN N . 25905 1 893 . 1 1 109 109 GLN NE2 N 15 111.662 0.2 . . . . . A 109 GLN NE2 . 25905 1 894 . 1 1 110 110 SER H H 1 7.394 0.02 . . . . . A 110 SER H . 25905 1 895 . 1 1 110 110 SER HA H 1 4.335 0.02 . . . . . A 110 SER HA . 25905 1 896 . 1 1 110 110 SER HB2 H 1 4.176 0.02 . . . . . A 110 SER HB2 . 25905 1 897 . 1 1 110 110 SER HB3 H 1 3.790 0.02 . . . . . A 110 SER HB3 . 25905 1 898 . 1 1 110 110 SER CA C 13 59.317 0.2 . . . . . A 110 SER CA . 25905 1 899 . 1 1 110 110 SER CB C 13 64.083 0.2 . . . . . A 110 SER CB . 25905 1 900 . 1 1 110 110 SER N N 15 113.069 0.2 . . . . . A 110 SER N . 25905 1 901 . 1 1 111 111 GLY H H 1 7.579 0.02 . . . . . A 111 GLY H . 25905 1 902 . 1 1 111 111 GLY HA2 H 1 4.019 0.02 . . . . . A 111 GLY HA2 . 25905 1 903 . 1 1 111 111 GLY HA3 H 1 3.662 0.02 . . . . . A 111 GLY HA3 . 25905 1 904 . 1 1 111 111 GLY CA C 13 45.255 0.2 . . . . . A 111 GLY CA . 25905 1 905 . 1 1 111 111 GLY N N 15 106.249 0.2 . . . . . A 111 GLY N . 25905 1 stop_ save_