data_25816 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25816 _Entry.Title ; Solution structure of PDZ domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-10-05 _Entry.Accession_date 2015-10-05 _Entry.Last_release_date 2015-10-05 _Entry.Original_release_date 2015-10-05 _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 Song Mei . . . . 25816 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' . 25816 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PDZ . 25816 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25816 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 276 25816 '15N chemical shifts' 102 25816 '1H chemical shifts' 572 25816 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 . . 2016-07-22 2015-09-17 update BMRB 'update entry citation' 25816 1 . . 2015-10-05 2015-09-17 original author 'original release' 25816 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N7P 'BMRB Entry Tracking System' 25816 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25816 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26917351 _Citation.Full_citation . _Citation.Title ; Solution structure of Q388A3 PDZ domain from Trypanosoma brucei ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Struct. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 194 _Citation.Journal_issue 2 _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 214 _Citation.Page_last 217 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Song Mei . . . . 25816 1 2 Yuanqiu Dong . . . . 25816 1 3 Jiahai Zhang . . . . 25816 1 4 Xuecheng Zhang . . . . 25816 1 5 Xiaoming Tu . . . . 25816 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25816 _Assembly.ID 1 _Assembly.Name 'PDZ domain' _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 . . . 25816 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25816 _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 ; PLTRPYLGFRVAVGRDSSGC TTLSIQEVTQTYTGSNGGAD LMGPAFAAGLRVGDQLVRFA GYTVTELAAFNTVVARHVRP SASIPVVFSRDGVVMSATIV VGELE ; _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 105 _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 10985.538 _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 . PRO . 25816 1 2 . LEU . 25816 1 3 . THR . 25816 1 4 . ARG . 25816 1 5 . PRO . 25816 1 6 . TYR . 25816 1 7 . LEU . 25816 1 8 . GLY . 25816 1 9 . PHE . 25816 1 10 . ARG . 25816 1 11 . VAL . 25816 1 12 . ALA . 25816 1 13 . VAL . 25816 1 14 . GLY . 25816 1 15 . ARG . 25816 1 16 . ASP . 25816 1 17 . SER . 25816 1 18 . SER . 25816 1 19 . GLY . 25816 1 20 . CYS . 25816 1 21 . THR . 25816 1 22 . THR . 25816 1 23 . LEU . 25816 1 24 . SER . 25816 1 25 . ILE . 25816 1 26 . GLN . 25816 1 27 . GLU . 25816 1 28 . VAL . 25816 1 29 . THR . 25816 1 30 . GLN . 25816 1 31 . THR . 25816 1 32 . TYR . 25816 1 33 . THR . 25816 1 34 . GLY . 25816 1 35 . SER . 25816 1 36 . ASN . 25816 1 37 . GLY . 25816 1 38 . GLY . 25816 1 39 . ALA . 25816 1 40 . ASP . 25816 1 41 . LEU . 25816 1 42 . MET . 25816 1 43 . GLY . 25816 1 44 . PRO . 25816 1 45 . ALA . 25816 1 46 . PHE . 25816 1 47 . ALA . 25816 1 48 . ALA . 25816 1 49 . GLY . 25816 1 50 . LEU . 25816 1 51 . ARG . 25816 1 52 . VAL . 25816 1 53 . GLY . 25816 1 54 . ASP . 25816 1 55 . GLN . 25816 1 56 . LEU . 25816 1 57 . VAL . 25816 1 58 . ARG . 25816 1 59 . PHE . 25816 1 60 . ALA . 25816 1 61 . GLY . 25816 1 62 . TYR . 25816 1 63 . THR . 25816 1 64 . VAL . 25816 1 65 . THR . 25816 1 66 . GLU . 25816 1 67 . LEU . 25816 1 68 . ALA . 25816 1 69 . ALA . 25816 1 70 . PHE . 25816 1 71 . ASN . 25816 1 72 . THR . 25816 1 73 . VAL . 25816 1 74 . VAL . 25816 1 75 . ALA . 25816 1 76 . ARG . 25816 1 77 . HIS . 25816 1 78 . VAL . 25816 1 79 . ARG . 25816 1 80 . PRO . 25816 1 81 . SER . 25816 1 82 . ALA . 25816 1 83 . SER . 25816 1 84 . ILE . 25816 1 85 . PRO . 25816 1 86 . VAL . 25816 1 87 . VAL . 25816 1 88 . PHE . 25816 1 89 . SER . 25816 1 90 . ARG . 25816 1 91 . ASP . 25816 1 92 . GLY . 25816 1 93 . VAL . 25816 1 94 . VAL . 25816 1 95 . MET . 25816 1 96 . SER . 25816 1 97 . ALA . 25816 1 98 . THR . 25816 1 99 . ILE . 25816 1 100 . VAL . 25816 1 101 . VAL . 25816 1 102 . GLY . 25816 1 103 . GLU . 25816 1 104 . LEU . 25816 1 105 . GLU . 25816 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 . PRO 1 1 25816 1 . LEU 2 2 25816 1 . THR 3 3 25816 1 . ARG 4 4 25816 1 . PRO 5 5 25816 1 . TYR 6 6 25816 1 . LEU 7 7 25816 1 . GLY 8 8 25816 1 . PHE 9 9 25816 1 . ARG 10 10 25816 1 . VAL 11 11 25816 1 . ALA 12 12 25816 1 . VAL 13 13 25816 1 . GLY 14 14 25816 1 . ARG 15 15 25816 1 . ASP 16 16 25816 1 . SER 17 17 25816 1 . SER 18 18 25816 1 . GLY 19 19 25816 1 . CYS 20 20 25816 1 . THR 21 21 25816 1 . THR 22 22 25816 1 . LEU 23 23 25816 1 . SER 24 24 25816 1 . ILE 25 25 25816 1 . GLN 26 26 25816 1 . GLU 27 27 25816 1 . VAL 28 28 25816 1 . THR 29 29 25816 1 . GLN 30 30 25816 1 . THR 31 31 25816 1 . TYR 32 32 25816 1 . THR 33 33 25816 1 . GLY 34 34 25816 1 . SER 35 35 25816 1 . ASN 36 36 25816 1 . GLY 37 37 25816 1 . GLY 38 38 25816 1 . ALA 39 39 25816 1 . ASP 40 40 25816 1 . LEU 41 41 25816 1 . MET 42 42 25816 1 . GLY 43 43 25816 1 . PRO 44 44 25816 1 . ALA 45 45 25816 1 . PHE 46 46 25816 1 . ALA 47 47 25816 1 . ALA 48 48 25816 1 . GLY 49 49 25816 1 . LEU 50 50 25816 1 . ARG 51 51 25816 1 . VAL 52 52 25816 1 . GLY 53 53 25816 1 . ASP 54 54 25816 1 . GLN 55 55 25816 1 . LEU 56 56 25816 1 . VAL 57 57 25816 1 . ARG 58 58 25816 1 . PHE 59 59 25816 1 . ALA 60 60 25816 1 . GLY 61 61 25816 1 . TYR 62 62 25816 1 . THR 63 63 25816 1 . VAL 64 64 25816 1 . THR 65 65 25816 1 . GLU 66 66 25816 1 . LEU 67 67 25816 1 . ALA 68 68 25816 1 . ALA 69 69 25816 1 . PHE 70 70 25816 1 . ASN 71 71 25816 1 . THR 72 72 25816 1 . VAL 73 73 25816 1 . VAL 74 74 25816 1 . ALA 75 75 25816 1 . ARG 76 76 25816 1 . HIS 77 77 25816 1 . VAL 78 78 25816 1 . ARG 79 79 25816 1 . PRO 80 80 25816 1 . SER 81 81 25816 1 . ALA 82 82 25816 1 . SER 83 83 25816 1 . ILE 84 84 25816 1 . PRO 85 85 25816 1 . VAL 86 86 25816 1 . VAL 87 87 25816 1 . PHE 88 88 25816 1 . SER 89 89 25816 1 . ARG 90 90 25816 1 . ASP 91 91 25816 1 . GLY 92 92 25816 1 . VAL 93 93 25816 1 . VAL 94 94 25816 1 . MET 95 95 25816 1 . SER 96 96 25816 1 . ALA 97 97 25816 1 . THR 98 98 25816 1 . ILE 99 99 25816 1 . VAL 100 100 25816 1 . VAL 101 101 25816 1 . GLY 102 102 25816 1 . GLU 103 103 25816 1 . LEU 104 104 25816 1 . GLU 105 105 25816 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 25816 _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 . 5690 organism . Trypanosoma Trypanosoma . . Eukaryota . Trypanosoma . . . . . . . . . . . . . . 25816 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 25816 _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 . . . . . . pet28b . . . 25816 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25816 _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 '[U-13C; U-15N]' . . 1 $entity . . 0.5 . . mM . . . . 25816 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25816 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 25816 _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' 0.1 . M 25816 1 pH 6.5 . pH 25816 1 pressure 1 . atm 25816 1 temperature 293 . K 25816 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25816 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25816 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25816 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 25816 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 25816 _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 . 600 . . . 25816 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 25816 _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 . . . . . . . . . . . . . . . . 25816 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 25816 _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 internal direct 0.25144953 . . . . . 25816 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . 25816 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal direct . . . . . . 25816 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 25816 _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' . . . 25816 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 PRO HA H 1 4.382 0.02 . . . . . A 1 PRO HA . 25816 1 2 . 1 1 1 1 PRO HB2 H 1 1.870 0.02 . . . . . A 1 PRO HB2 . 25816 1 3 . 1 1 1 1 PRO HB3 H 1 2.202 0.02 . . . . . A 1 PRO HB3 . 25816 1 4 . 1 1 1 1 PRO HG2 H 1 1.917 0.02 . . . . . A 1 PRO HG2 . 25816 1 5 . 1 1 1 1 PRO HG3 H 1 1.917 0.02 . . . . . A 1 PRO HG3 . 25816 1 6 . 1 1 1 1 PRO HD2 H 1 3.648 0.02 . . . . . A 1 PRO HD2 . 25816 1 7 . 1 1 1 1 PRO HD3 H 1 3.648 0.02 . . . . . A 1 PRO HD3 . 25816 1 8 . 1 1 1 1 PRO CA C 13 62.063 0.2 . . . . . A 1 PRO CA . 25816 1 9 . 1 1 1 1 PRO CB C 13 31.007 0.2 . . . . . A 1 PRO CB . 25816 1 10 . 1 1 1 1 PRO CG C 13 26.243 0.2 . . . . . A 1 PRO CG . 25816 1 11 . 1 1 1 1 PRO CD C 13 49.547 0.2 . . . . . A 1 PRO CD . 25816 1 12 . 1 1 2 2 LEU H H 1 8.535 0.02 . . . . . A 2 LEU H . 25816 1 13 . 1 1 2 2 LEU HA H 1 4.392 0.02 . . . . . A 2 LEU HA . 25816 1 14 . 1 1 2 2 LEU HB2 H 1 1.593 0.02 . . . . . A 2 LEU HB2 . 25816 1 15 . 1 1 2 2 LEU HB3 H 1 1.593 0.02 . . . . . A 2 LEU HB3 . 25816 1 16 . 1 1 2 2 LEU HD11 H 1 0.819 0.02 . . . . . A 2 LEU HD11 . 25816 1 17 . 1 1 2 2 LEU HD12 H 1 0.819 0.02 . . . . . A 2 LEU HD12 . 25816 1 18 . 1 1 2 2 LEU HD13 H 1 0.819 0.02 . . . . . A 2 LEU HD13 . 25816 1 19 . 1 1 2 2 LEU HD21 H 1 0.819 0.02 . . . . . A 2 LEU HD21 . 25816 1 20 . 1 1 2 2 LEU HD22 H 1 0.819 0.02 . . . . . A 2 LEU HD22 . 25816 1 21 . 1 1 2 2 LEU HD23 H 1 0.819 0.02 . . . . . A 2 LEU HD23 . 25816 1 22 . 1 1 2 2 LEU CA C 13 54.332 0.2 . . . . . A 2 LEU CA . 25816 1 23 . 1 1 2 2 LEU CB C 13 41.317 0.2 . . . . . A 2 LEU CB . 25816 1 24 . 1 1 2 2 LEU CG C 13 25.798 0.2 . . . . . A 2 LEU CG . 25816 1 25 . 1 1 2 2 LEU CD1 C 13 23.437 0.2 . . . . . A 2 LEU CD1 . 25816 1 26 . 1 1 2 2 LEU CD2 C 13 22.435 0.2 . . . . . A 2 LEU CD2 . 25816 1 27 . 1 1 2 2 LEU N N 15 122.611 0.2 . . . . . A 2 LEU N . 25816 1 28 . 1 1 3 3 THR H H 1 7.903 0.02 . . . . . A 3 THR H . 25816 1 29 . 1 1 3 3 THR HA H 1 4.777 0.02 . . . . . A 3 THR HA . 25816 1 30 . 1 1 3 3 THR HB H 1 4.100 0.02 . . . . . A 3 THR HB . 25816 1 31 . 1 1 3 3 THR HG21 H 1 1.064 0.02 . . . . . A 3 THR HG21 . 25816 1 32 . 1 1 3 3 THR HG22 H 1 1.064 0.02 . . . . . A 3 THR HG22 . 25816 1 33 . 1 1 3 3 THR HG23 H 1 1.064 0.02 . . . . . A 3 THR HG23 . 25816 1 34 . 1 1 3 3 THR CA C 13 59.259 0.2 . . . . . A 3 THR CA . 25816 1 35 . 1 1 3 3 THR CB C 13 70.185 0.2 . . . . . A 3 THR CB . 25816 1 36 . 1 1 3 3 THR CG2 C 13 20.996 0.2 . . . . . A 3 THR CG2 . 25816 1 37 . 1 1 3 3 THR N N 15 112.475 0.2 . . . . . A 3 THR N . 25816 1 38 . 1 1 4 4 ARG H H 1 8.809 0.02 . . . . . A 4 ARG H . 25816 1 39 . 1 1 4 4 ARG N N 15 120.183 0.2 . . . . . A 4 ARG N . 25816 1 40 . 1 1 5 5 PRO HA H 1 4.372 0.02 . . . . . A 5 PRO HA . 25816 1 41 . 1 1 5 5 PRO HB2 H 1 2.000 0.02 . . . . . A 5 PRO HB2 . 25816 1 42 . 1 1 5 5 PRO HB3 H 1 2.000 0.02 . . . . . A 5 PRO HB3 . 25816 1 43 . 1 1 5 5 PRO CA C 13 65.017 0.2 . . . . . A 5 PRO CA . 25816 1 44 . 1 1 5 5 PRO CB C 13 31.588 0.2 . . . . . A 5 PRO CB . 25816 1 45 . 1 1 5 5 PRO CG C 13 26.192 0.2 . . . . . A 5 PRO CG . 25816 1 46 . 1 1 5 5 PRO CD C 13 49.730 0.2 . . . . . A 5 PRO CD . 25816 1 47 . 1 1 6 6 TYR H H 1 7.530 0.02 . . . . . A 6 TYR H . 25816 1 48 . 1 1 6 6 TYR HA H 1 4.634 0.02 . . . . . A 6 TYR HA . 25816 1 49 . 1 1 6 6 TYR HB2 H 1 2.558 0.02 . . . . . A 6 TYR HB2 . 25816 1 50 . 1 1 6 6 TYR HB3 H 1 2.114 0.02 . . . . . A 6 TYR HB3 . 25816 1 51 . 1 1 6 6 TYR CA C 13 56.076 0.2 . . . . . A 6 TYR CA . 25816 1 52 . 1 1 6 6 TYR CB C 13 41.054 0.2 . . . . . A 6 TYR CB . 25816 1 53 . 1 1 6 6 TYR N N 15 120.727 0.2 . . . . . A 6 TYR N . 25816 1 54 . 1 1 7 7 LEU H H 1 8.500 0.02 . . . . . A 7 LEU H . 25816 1 55 . 1 1 7 7 LEU CB C 13 42.407 0.2 . . . . . A 7 LEU CB . 25816 1 56 . 1 1 7 7 LEU N N 15 126.575 0.2 . . . . . A 7 LEU N . 25816 1 57 . 1 1 8 8 GLY HA2 H 1 3.685 0.02 . . . . . A 8 GLY HA2 . 25816 1 58 . 1 1 8 8 GLY HA3 H 1 3.336 0.02 . . . . . A 8 GLY HA3 . 25816 1 59 . 1 1 8 8 GLY CA C 13 45.707 0.2 . . . . . A 8 GLY CA . 25816 1 60 . 1 1 9 9 PHE H H 1 7.102 0.02 . . . . . A 9 PHE H . 25816 1 61 . 1 1 9 9 PHE HA H 1 5.358 0.02 . . . . . A 9 PHE HA . 25816 1 62 . 1 1 9 9 PHE HB2 H 1 3.256 0.02 . . . . . A 9 PHE HB2 . 25816 1 63 . 1 1 9 9 PHE HB3 H 1 2.878 0.02 . . . . . A 9 PHE HB3 . 25816 1 64 . 1 1 9 9 PHE CA C 13 55.262 0.2 . . . . . A 9 PHE CA . 25816 1 65 . 1 1 9 9 PHE CB C 13 39.454 0.2 . . . . . A 9 PHE CB . 25816 1 66 . 1 1 9 9 PHE N N 15 114.612 0.2 . . . . . A 9 PHE N . 25816 1 67 . 1 1 10 10 ARG H H 1 8.206 0.02 . . . . . A 10 ARG H . 25816 1 68 . 1 1 10 10 ARG HA H 1 4.671 0.02 . . . . . A 10 ARG HA . 25816 1 69 . 1 1 10 10 ARG HB2 H 1 1.833 0.02 . . . . . A 10 ARG HB2 . 25816 1 70 . 1 1 10 10 ARG HB3 H 1 1.517 0.02 . . . . . A 10 ARG HB3 . 25816 1 71 . 1 1 10 10 ARG HD2 H 1 3.117 0.02 . . . . . A 10 ARG HD2 . 25816 1 72 . 1 1 10 10 ARG HD3 H 1 3.117 0.02 . . . . . A 10 ARG HD3 . 25816 1 73 . 1 1 10 10 ARG CA C 13 53.399 0.2 . . . . . A 10 ARG CA . 25816 1 74 . 1 1 10 10 ARG CB C 13 33.815 0.2 . . . . . A 10 ARG CB . 25816 1 75 . 1 1 10 10 ARG CG C 13 26.318 0.2 . . . . . A 10 ARG CG . 25816 1 76 . 1 1 10 10 ARG CD C 13 42.261 0.2 . . . . . A 10 ARG CD . 25816 1 77 . 1 1 10 10 ARG N N 15 117.800 0.2 . . . . . A 10 ARG N . 25816 1 78 . 1 1 11 11 VAL H H 1 8.601 0.02 . . . . . A 11 VAL H . 25816 1 79 . 1 1 11 11 VAL HA H 1 5.167 0.02 . . . . . A 11 VAL HA . 25816 1 80 . 1 1 11 11 VAL HB H 1 1.620 0.02 . . . . . A 11 VAL HB . 25816 1 81 . 1 1 11 11 VAL HG11 H 1 0.323 0.02 . . . . . A 11 VAL HG11 . 25816 1 82 . 1 1 11 11 VAL HG12 H 1 0.323 0.02 . . . . . A 11 VAL HG12 . 25816 1 83 . 1 1 11 11 VAL HG13 H 1 0.323 0.02 . . . . . A 11 VAL HG13 . 25816 1 84 . 1 1 11 11 VAL HG21 H 1 0.323 0.02 . . . . . A 11 VAL HG21 . 25816 1 85 . 1 1 11 11 VAL HG22 H 1 0.323 0.02 . . . . . A 11 VAL HG22 . 25816 1 86 . 1 1 11 11 VAL HG23 H 1 0.323 0.02 . . . . . A 11 VAL HG23 . 25816 1 87 . 1 1 11 11 VAL CA C 13 58.190 0.2 . . . . . A 11 VAL CA . 25816 1 88 . 1 1 11 11 VAL CB C 13 33.875 0.2 . . . . . A 11 VAL CB . 25816 1 89 . 1 1 11 11 VAL CG1 C 13 21.061 0.2 . . . . . A 11 VAL CG1 . 25816 1 90 . 1 1 11 11 VAL CG2 C 13 17.887 0.2 . . . . . A 11 VAL CG2 . 25816 1 91 . 1 1 11 11 VAL N N 15 117.216 0.2 . . . . . A 11 VAL N . 25816 1 92 . 1 1 12 12 ALA H H 1 8.861 0.02 . . . . . A 12 ALA H . 25816 1 93 . 1 1 12 12 ALA HA H 1 4.580 0.02 . . . . . A 12 ALA HA . 25816 1 94 . 1 1 12 12 ALA HB1 H 1 1.250 0.02 . . . . . A 12 ALA HB1 . 25816 1 95 . 1 1 12 12 ALA HB2 H 1 1.250 0.02 . . . . . A 12 ALA HB2 . 25816 1 96 . 1 1 12 12 ALA HB3 H 1 1.250 0.02 . . . . . A 12 ALA HB3 . 25816 1 97 . 1 1 12 12 ALA CA C 13 49.543 0.2 . . . . . A 12 ALA CA . 25816 1 98 . 1 1 12 12 ALA CB C 13 21.782 0.2 . . . . . A 12 ALA CB . 25816 1 99 . 1 1 12 12 ALA N N 15 123.025 0.2 . . . . . A 12 ALA N . 25816 1 100 . 1 1 13 13 VAL H H 1 8.585 0.02 . . . . . A 13 VAL H . 25816 1 101 . 1 1 13 13 VAL HA H 1 4.551 0.02 . . . . . A 13 VAL HA . 25816 1 102 . 1 1 13 13 VAL HB H 1 1.955 0.02 . . . . . A 13 VAL HB . 25816 1 103 . 1 1 13 13 VAL HG11 H 1 1.012 0.02 . . . . . A 13 VAL HG11 . 25816 1 104 . 1 1 13 13 VAL HG12 H 1 1.012 0.02 . . . . . A 13 VAL HG12 . 25816 1 105 . 1 1 13 13 VAL HG13 H 1 1.012 0.02 . . . . . A 13 VAL HG13 . 25816 1 106 . 1 1 13 13 VAL HG21 H 1 1.012 0.02 . . . . . A 13 VAL HG21 . 25816 1 107 . 1 1 13 13 VAL HG22 H 1 1.012 0.02 . . . . . A 13 VAL HG22 . 25816 1 108 . 1 1 13 13 VAL HG23 H 1 1.012 0.02 . . . . . A 13 VAL HG23 . 25816 1 109 . 1 1 13 13 VAL CA C 13 61.283 0.2 . . . . . A 13 VAL CA . 25816 1 110 . 1 1 13 13 VAL CB C 13 31.694 0.2 . . . . . A 13 VAL CB . 25816 1 111 . 1 1 13 13 VAL CG1 C 13 20.938 0.2 . . . . . A 13 VAL CG1 . 25816 1 112 . 1 1 13 13 VAL N N 15 121.395 0.2 . . . . . A 13 VAL N . 25816 1 113 . 1 1 14 14 GLY H H 1 8.789 0.02 . . . . . A 14 GLY H . 25816 1 114 . 1 1 14 14 GLY HA2 H 1 4.450 0.02 . . . . . A 14 GLY HA2 . 25816 1 115 . 1 1 14 14 GLY HA3 H 1 3.616 0.02 . . . . . A 14 GLY HA3 . 25816 1 116 . 1 1 14 14 GLY CA C 13 43.384 0.2 . . . . . A 14 GLY CA . 25816 1 117 . 1 1 14 14 GLY N N 15 117.546 0.2 . . . . . A 14 GLY N . 25816 1 118 . 1 1 15 15 ARG H H 1 8.299 0.02 . . . . . A 15 ARG H . 25816 1 119 . 1 1 15 15 ARG HA H 1 5.110 0.02 . . . . . A 15 ARG HA . 25816 1 120 . 1 1 15 15 ARG HB2 H 1 1.577 0.02 . . . . . A 15 ARG HB2 . 25816 1 121 . 1 1 15 15 ARG HB3 H 1 1.577 0.02 . . . . . A 15 ARG HB3 . 25816 1 122 . 1 1 15 15 ARG HD2 H 1 3.058 0.02 . . . . . A 15 ARG HD2 . 25816 1 123 . 1 1 15 15 ARG HD3 H 1 3.058 0.02 . . . . . A 15 ARG HD3 . 25816 1 124 . 1 1 15 15 ARG HE H 1 8.413 0.02 . . . . . A 15 ARG HE . 25816 1 125 . 1 1 15 15 ARG CA C 13 53.893 0.2 . . . . . A 15 ARG CA . 25816 1 126 . 1 1 15 15 ARG CB C 13 32.756 0.2 . . . . . A 15 ARG CB . 25816 1 127 . 1 1 15 15 ARG CG C 13 26.080 0.2 . . . . . A 15 ARG CG . 25816 1 128 . 1 1 15 15 ARG CD C 13 42.219 0.2 . . . . . A 15 ARG CD . 25816 1 129 . 1 1 15 15 ARG N N 15 120.075 0.2 . . . . . A 15 ARG N . 25816 1 130 . 1 1 16 16 ASP H H 1 8.619 0.02 . . . . . A 16 ASP H . 25816 1 131 . 1 1 16 16 ASP HA H 1 4.745 0.02 . . . . . A 16 ASP HA . 25816 1 132 . 1 1 16 16 ASP HB2 H 1 3.289 0.02 . . . . . A 16 ASP HB2 . 25816 1 133 . 1 1 16 16 ASP HB3 H 1 2.570 0.02 . . . . . A 16 ASP HB3 . 25816 1 134 . 1 1 16 16 ASP CA C 13 51.371 0.2 . . . . . A 16 ASP CA . 25816 1 135 . 1 1 16 16 ASP CB C 13 40.752 0.2 . . . . . A 16 ASP CB . 25816 1 136 . 1 1 16 16 ASP N N 15 123.872 0.2 . . . . . A 16 ASP N . 25816 1 137 . 1 1 17 17 SER H H 1 8.624 0.02 . . . . . A 17 SER H . 25816 1 138 . 1 1 17 17 SER HA H 1 4.196 0.02 . . . . . A 17 SER HA . 25816 1 139 . 1 1 17 17 SER HB2 H 1 3.967 0.02 . . . . . A 17 SER HB2 . 25816 1 140 . 1 1 17 17 SER HB3 H 1 3.967 0.02 . . . . . A 17 SER HB3 . 25816 1 141 . 1 1 17 17 SER CA C 13 59.950 0.2 . . . . . A 17 SER CA . 25816 1 142 . 1 1 17 17 SER CB C 13 61.825 0.2 . . . . . A 17 SER CB . 25816 1 143 . 1 1 17 17 SER N N 15 114.309 0.2 . . . . . A 17 SER N . 25816 1 144 . 1 1 18 18 SER H H 1 8.385 0.02 . . . . . A 18 SER H . 25816 1 145 . 1 1 18 18 SER HA H 1 4.597 0.02 . . . . . A 18 SER HA . 25816 1 146 . 1 1 18 18 SER HB2 H 1 3.996 0.02 . . . . . A 18 SER HB2 . 25816 1 147 . 1 1 18 18 SER HB3 H 1 3.996 0.02 . . . . . A 18 SER HB3 . 25816 1 148 . 1 1 18 18 SER CA C 13 57.732 0.2 . . . . . A 18 SER CA . 25816 1 149 . 1 1 18 18 SER CB C 13 63.470 0.2 . . . . . A 18 SER CB . 25816 1 150 . 1 1 18 18 SER N N 15 117.903 0.2 . . . . . A 18 SER N . 25816 1 151 . 1 1 19 19 GLY H H 1 8.214 0.02 . . . . . A 19 GLY H . 25816 1 152 . 1 1 19 19 GLY HA2 H 1 4.330 0.02 . . . . . A 19 GLY HA2 . 25816 1 153 . 1 1 19 19 GLY HA3 H 1 3.561 0.02 . . . . . A 19 GLY HA3 . 25816 1 154 . 1 1 19 19 GLY CA C 13 44.171 0.2 . . . . . A 19 GLY CA . 25816 1 155 . 1 1 19 19 GLY N N 15 109.883 0.2 . . . . . A 19 GLY N . 25816 1 156 . 1 1 20 20 CYS H H 1 8.286 0.02 . . . . . A 20 CYS H . 25816 1 157 . 1 1 20 20 CYS HA H 1 4.488 0.02 . . . . . A 20 CYS HA . 25816 1 158 . 1 1 20 20 CYS HB2 H 1 2.975 0.02 . . . . . A 20 CYS HB2 . 25816 1 159 . 1 1 20 20 CYS HB3 H 1 2.975 0.02 . . . . . A 20 CYS HB3 . 25816 1 160 . 1 1 20 20 CYS CA C 13 58.037 0.2 . . . . . A 20 CYS CA . 25816 1 161 . 1 1 20 20 CYS CB C 13 26.685 0.2 . . . . . A 20 CYS CB . 25816 1 162 . 1 1 20 20 CYS N N 15 122.167 0.2 . . . . . A 20 CYS N . 25816 1 163 . 1 1 21 21 THR H H 1 8.626 0.02 . . . . . A 21 THR H . 25816 1 164 . 1 1 21 21 THR HA H 1 4.764 0.02 . . . . . A 21 THR HA . 25816 1 165 . 1 1 21 21 THR HB H 1 4.178 0.02 . . . . . A 21 THR HB . 25816 1 166 . 1 1 21 21 THR HG21 H 1 1.258 0.02 . . . . . A 21 THR HG21 . 25816 1 167 . 1 1 21 21 THR HG22 H 1 1.258 0.02 . . . . . A 21 THR HG22 . 25816 1 168 . 1 1 21 21 THR HG23 H 1 1.258 0.02 . . . . . A 21 THR HG23 . 25816 1 169 . 1 1 21 21 THR CA C 13 61.953 0.2 . . . . . A 21 THR CA . 25816 1 170 . 1 1 21 21 THR CB C 13 68.795 0.2 . . . . . A 21 THR CB . 25816 1 171 . 1 1 21 21 THR CG2 C 13 21.448 0.2 . . . . . A 21 THR CG2 . 25816 1 172 . 1 1 21 21 THR N N 15 119.387 0.2 . . . . . A 21 THR N . 25816 1 173 . 1 1 22 22 THR H H 1 8.343 0.02 . . . . . A 22 THR H . 25816 1 174 . 1 1 22 22 THR HA H 1 4.513 0.02 . . . . . A 22 THR HA . 25816 1 175 . 1 1 22 22 THR HB H 1 3.896 0.02 . . . . . A 22 THR HB . 25816 1 176 . 1 1 22 22 THR HG21 H 1 0.987 0.02 . . . . . A 22 THR HG21 . 25816 1 177 . 1 1 22 22 THR HG22 H 1 0.987 0.02 . . . . . A 22 THR HG22 . 25816 1 178 . 1 1 22 22 THR HG23 H 1 0.987 0.02 . . . . . A 22 THR HG23 . 25816 1 179 . 1 1 22 22 THR CA C 13 58.918 0.2 . . . . . A 22 THR CA . 25816 1 180 . 1 1 22 22 THR CB C 13 71.128 0.2 . . . . . A 22 THR CB . 25816 1 181 . 1 1 22 22 THR CG2 C 13 20.590 0.2 . . . . . A 22 THR CG2 . 25816 1 182 . 1 1 22 22 THR N N 15 116.611 0.2 . . . . . A 22 THR N . 25816 1 183 . 1 1 23 23 LEU H H 1 9.157 0.02 . . . . . A 23 LEU H . 25816 1 184 . 1 1 23 23 LEU HA H 1 4.932 0.02 . . . . . A 23 LEU HA . 25816 1 185 . 1 1 23 23 LEU HB2 H 1 1.593 0.02 . . . . . A 23 LEU HB2 . 25816 1 186 . 1 1 23 23 LEU HB3 H 1 0.841 0.02 . . . . . A 23 LEU HB3 . 25816 1 187 . 1 1 23 23 LEU HG H 1 1.253 0.02 . . . . . A 23 LEU HG . 25816 1 188 . 1 1 23 23 LEU HD11 H 1 0.428 0.02 . . . . . A 23 LEU HD11 . 25816 1 189 . 1 1 23 23 LEU HD12 H 1 0.428 0.02 . . . . . A 23 LEU HD12 . 25816 1 190 . 1 1 23 23 LEU HD13 H 1 0.428 0.02 . . . . . A 23 LEU HD13 . 25816 1 191 . 1 1 23 23 LEU HD21 H 1 0.428 0.02 . . . . . A 23 LEU HD21 . 25816 1 192 . 1 1 23 23 LEU HD22 H 1 0.428 0.02 . . . . . A 23 LEU HD22 . 25816 1 193 . 1 1 23 23 LEU HD23 H 1 0.428 0.02 . . . . . A 23 LEU HD23 . 25816 1 194 . 1 1 23 23 LEU CA C 13 52.487 0.2 . . . . . A 23 LEU CA . 25816 1 195 . 1 1 23 23 LEU CB C 13 42.265 0.2 . . . . . A 23 LEU CB . 25816 1 196 . 1 1 23 23 LEU CD1 C 13 24.297 0.2 . . . . . A 23 LEU CD1 . 25816 1 197 . 1 1 23 23 LEU CD2 C 13 23.010 0.2 . . . . . A 23 LEU CD2 . 25816 1 198 . 1 1 23 23 LEU N N 15 122.893 0.2 . . . . . A 23 LEU N . 25816 1 199 . 1 1 24 24 SER H H 1 8.656 0.02 . . . . . A 24 SER H . 25816 1 200 . 1 1 24 24 SER HA H 1 5.173 0.02 . . . . . A 24 SER HA . 25816 1 201 . 1 1 24 24 SER HB2 H 1 3.516 0.02 . . . . . A 24 SER HB2 . 25816 1 202 . 1 1 24 24 SER HB3 H 1 3.516 0.02 . . . . . A 24 SER HB3 . 25816 1 203 . 1 1 24 24 SER CA C 13 55.247 0.2 . . . . . A 24 SER CA . 25816 1 204 . 1 1 24 24 SER CB C 13 64.841 0.2 . . . . . A 24 SER CB . 25816 1 205 . 1 1 24 24 SER N N 15 116.771 0.2 . . . . . A 24 SER N . 25816 1 206 . 1 1 25 25 ILE H H 1 9.023 0.02 . . . . . A 25 ILE H . 25816 1 207 . 1 1 25 25 ILE HA H 1 4.031 0.02 . . . . . A 25 ILE HA . 25816 1 208 . 1 1 25 25 ILE HB H 1 2.034 0.02 . . . . . A 25 ILE HB . 25816 1 209 . 1 1 25 25 ILE CA C 13 61.270 0.2 . . . . . A 25 ILE CA . 25816 1 210 . 1 1 25 25 ILE CB C 13 34.649 0.2 . . . . . A 25 ILE CB . 25816 1 211 . 1 1 25 25 ILE CG2 C 13 18.299 0.2 . . . . . A 25 ILE CG2 . 25816 1 212 . 1 1 25 25 ILE N N 15 122.747 0.2 . . . . . A 25 ILE N . 25816 1 213 . 1 1 26 26 GLN H H 1 9.093 0.02 . . . . . A 26 GLN H . 25816 1 214 . 1 1 26 26 GLN HA H 1 4.429 0.02 . . . . . A 26 GLN HA . 25816 1 215 . 1 1 26 26 GLN HB2 H 1 1.830 0.02 . . . . . A 26 GLN HB2 . 25816 1 216 . 1 1 26 26 GLN HB3 H 1 1.752 0.02 . . . . . A 26 GLN HB3 . 25816 1 217 . 1 1 26 26 GLN HG2 H 1 2.195 0.02 . . . . . A 26 GLN HG2 . 25816 1 218 . 1 1 26 26 GLN HG3 H 1 2.195 0.02 . . . . . A 26 GLN HG3 . 25816 1 219 . 1 1 26 26 GLN HE21 H 1 6.820 0.02 . . . . . A 26 GLN HE21 . 25816 1 220 . 1 1 26 26 GLN CA C 13 54.587 0.2 . . . . . A 26 GLN CA . 25816 1 221 . 1 1 26 26 GLN CB C 13 30.276 0.2 . . . . . A 26 GLN CB . 25816 1 222 . 1 1 26 26 GLN CG C 13 32.532 0.2 . . . . . A 26 GLN CG . 25816 1 223 . 1 1 26 26 GLN N N 15 129.779 0.2 . . . . . A 26 GLN N . 25816 1 224 . 1 1 26 26 GLN NE2 N 15 112.281 0.2 . . . . . A 26 GLN NE2 . 25816 1 225 . 1 1 27 27 GLU H H 1 7.479 0.02 . . . . . A 27 GLU H . 25816 1 226 . 1 1 27 27 GLU CA C 13 54.964 0.2 . . . . . A 27 GLU CA . 25816 1 227 . 1 1 27 27 GLU CB C 13 33.022 0.2 . . . . . A 27 GLU CB . 25816 1 228 . 1 1 27 27 GLU N N 15 118.722 0.2 . . . . . A 27 GLU N . 25816 1 229 . 1 1 28 28 VAL HA H 1 4.443 0.02 . . . . . A 28 VAL HA . 25816 1 230 . 1 1 28 28 VAL HB H 1 1.923 0.02 . . . . . A 28 VAL HB . 25816 1 231 . 1 1 28 28 VAL HG11 H 1 0.920 0.02 . . . . . A 28 VAL HG11 . 25816 1 232 . 1 1 28 28 VAL HG12 H 1 0.920 0.02 . . . . . A 28 VAL HG12 . 25816 1 233 . 1 1 28 28 VAL HG13 H 1 0.920 0.02 . . . . . A 28 VAL HG13 . 25816 1 234 . 1 1 28 28 VAL HG21 H 1 0.621 0.02 . . . . . A 28 VAL HG21 . 25816 1 235 . 1 1 28 28 VAL HG22 H 1 0.621 0.02 . . . . . A 28 VAL HG22 . 25816 1 236 . 1 1 28 28 VAL HG23 H 1 0.621 0.02 . . . . . A 28 VAL HG23 . 25816 1 237 . 1 1 28 28 VAL CA C 13 61.155 0.2 . . . . . A 28 VAL CA . 25816 1 238 . 1 1 28 28 VAL CB C 13 33.680 0.2 . . . . . A 28 VAL CB . 25816 1 239 . 1 1 28 28 VAL CG1 C 13 20.927 0.2 . . . . . A 28 VAL CG1 . 25816 1 240 . 1 1 28 28 VAL CG2 C 13 20.927 0.2 . . . . . A 28 VAL CG2 . 25816 1 241 . 1 1 29 29 THR H H 1 8.009 0.02 . . . . . A 29 THR H . 25816 1 242 . 1 1 29 29 THR HA H 1 4.183 0.02 . . . . . A 29 THR HA . 25816 1 243 . 1 1 29 29 THR HB H 1 3.928 0.02 . . . . . A 29 THR HB . 25816 1 244 . 1 1 29 29 THR HG21 H 1 1.359 0.02 . . . . . A 29 THR HG21 . 25816 1 245 . 1 1 29 29 THR HG22 H 1 1.359 0.02 . . . . . A 29 THR HG22 . 25816 1 246 . 1 1 29 29 THR HG23 H 1 1.359 0.02 . . . . . A 29 THR HG23 . 25816 1 247 . 1 1 29 29 THR CA C 13 62.474 0.2 . . . . . A 29 THR CA . 25816 1 248 . 1 1 29 29 THR CB C 13 68.811 0.2 . . . . . A 29 THR CB . 25816 1 249 . 1 1 29 29 THR CG2 C 13 21.873 0.2 . . . . . A 29 THR CG2 . 25816 1 250 . 1 1 29 29 THR N N 15 124.459 0.2 . . . . . A 29 THR N . 25816 1 251 . 1 1 30 30 GLN H H 1 9.321 0.02 . . . . . A 30 GLN H . 25816 1 252 . 1 1 30 30 GLN HA H 1 3.522 0.02 . . . . . A 30 GLN HA . 25816 1 253 . 1 1 30 30 GLN HB2 H 1 1.703 0.02 . . . . . A 30 GLN HB2 . 25816 1 254 . 1 1 30 30 GLN HB3 H 1 1.703 0.02 . . . . . A 30 GLN HB3 . 25816 1 255 . 1 1 30 30 GLN HG3 H 1 1.381 0.02 . . . . . A 30 GLN HG3 . 25816 1 256 . 1 1 30 30 GLN HE21 H 1 6.735 0.02 . . . . . A 30 GLN HE21 . 25816 1 257 . 1 1 30 30 GLN CA C 13 58.886 0.2 . . . . . A 30 GLN CA . 25816 1 258 . 1 1 30 30 GLN CB C 13 27.305 0.2 . . . . . A 30 GLN CB . 25816 1 259 . 1 1 30 30 GLN CG C 13 32.360 0.2 . . . . . A 30 GLN CG . 25816 1 260 . 1 1 30 30 GLN N N 15 130.053 0.2 . . . . . A 30 GLN N . 25816 1 261 . 1 1 30 30 GLN NE2 N 15 111.068 0.2 . . . . . A 30 GLN NE2 . 25816 1 262 . 1 1 31 31 THR H H 1 7.630 0.02 . . . . . A 31 THR H . 25816 1 263 . 1 1 31 31 THR HA H 1 5.509 0.02 . . . . . A 31 THR HA . 25816 1 264 . 1 1 31 31 THR HB H 1 3.858 0.02 . . . . . A 31 THR HB . 25816 1 265 . 1 1 31 31 THR HG21 H 1 1.032 0.02 . . . . . A 31 THR HG21 . 25816 1 266 . 1 1 31 31 THR HG22 H 1 1.032 0.02 . . . . . A 31 THR HG22 . 25816 1 267 . 1 1 31 31 THR HG23 H 1 1.032 0.02 . . . . . A 31 THR HG23 . 25816 1 268 . 1 1 31 31 THR CA C 13 58.798 0.2 . . . . . A 31 THR CA . 25816 1 269 . 1 1 31 31 THR CB C 13 71.374 0.2 . . . . . A 31 THR CB . 25816 1 270 . 1 1 31 31 THR CG2 C 13 20.935 0.2 . . . . . A 31 THR CG2 . 25816 1 271 . 1 1 31 31 THR N N 15 111.234 0.2 . . . . . A 31 THR N . 25816 1 272 . 1 1 32 32 TYR H H 1 9.359 0.02 . . . . . A 32 TYR H . 25816 1 273 . 1 1 32 32 TYR HA H 1 4.803 0.02 . . . . . A 32 TYR HA . 25816 1 274 . 1 1 32 32 TYR HB2 H 1 2.902 0.02 . . . . . A 32 TYR HB2 . 25816 1 275 . 1 1 32 32 TYR HB3 H 1 2.665 0.02 . . . . . A 32 TYR HB3 . 25816 1 276 . 1 1 32 32 TYR CA C 13 54.799 0.2 . . . . . A 32 TYR CA . 25816 1 277 . 1 1 32 32 TYR CB C 13 39.718 0.2 . . . . . A 32 TYR CB . 25816 1 278 . 1 1 32 32 TYR N N 15 121.998 0.2 . . . . . A 32 TYR N . 25816 1 279 . 1 1 33 33 THR H H 1 7.985 0.02 . . . . . A 33 THR H . 25816 1 280 . 1 1 33 33 THR HA H 1 4.390 0.02 . . . . . A 33 THR HA . 25816 1 281 . 1 1 33 33 THR HB H 1 3.893 0.02 . . . . . A 33 THR HB . 25816 1 282 . 1 1 33 33 THR HG21 H 1 1.126 0.02 . . . . . A 33 THR HG21 . 25816 1 283 . 1 1 33 33 THR HG22 H 1 1.126 0.02 . . . . . A 33 THR HG22 . 25816 1 284 . 1 1 33 33 THR HG23 H 1 1.126 0.02 . . . . . A 33 THR HG23 . 25816 1 285 . 1 1 33 33 THR CA C 13 59.896 0.2 . . . . . A 33 THR CA . 25816 1 286 . 1 1 33 33 THR CB C 13 69.135 0.2 . . . . . A 33 THR CB . 25816 1 287 . 1 1 33 33 THR CG2 C 13 20.731 0.2 . . . . . A 33 THR CG2 . 25816 1 288 . 1 1 33 33 THR N N 15 114.039 0.2 . . . . . A 33 THR N . 25816 1 289 . 1 1 34 34 GLY H H 1 8.698 0.02 . . . . . A 34 GLY H . 25816 1 290 . 1 1 34 34 GLY HA2 H 1 4.332 0.02 . . . . . A 34 GLY HA2 . 25816 1 291 . 1 1 34 34 GLY HA3 H 1 3.710 0.02 . . . . . A 34 GLY HA3 . 25816 1 292 . 1 1 34 34 GLY CA C 13 44.072 0.2 . . . . . A 34 GLY CA . 25816 1 293 . 1 1 34 34 GLY N N 15 113.445 0.2 . . . . . A 34 GLY N . 25816 1 294 . 1 1 35 35 SER H H 1 8.039 0.02 . . . . . A 35 SER H . 25816 1 295 . 1 1 35 35 SER HA H 1 4.264 0.02 . . . . . A 35 SER HA . 25816 1 296 . 1 1 35 35 SER HB2 H 1 3.730 0.02 . . . . . A 35 SER HB2 . 25816 1 297 . 1 1 35 35 SER HB3 H 1 3.730 0.02 . . . . . A 35 SER HB3 . 25816 1 298 . 1 1 35 35 SER CA C 13 57.651 0.2 . . . . . A 35 SER CA . 25816 1 299 . 1 1 35 35 SER CB C 13 63.056 0.2 . . . . . A 35 SER CB . 25816 1 300 . 1 1 35 35 SER N N 15 113.837 0.2 . . . . . A 35 SER N . 25816 1 301 . 1 1 36 36 ASN H H 1 8.767 0.02 . . . . . A 36 ASN H . 25816 1 302 . 1 1 36 36 ASN HA H 1 4.584 0.02 . . . . . A 36 ASN HA . 25816 1 303 . 1 1 36 36 ASN HB2 H 1 2.764 0.02 . . . . . A 36 ASN HB2 . 25816 1 304 . 1 1 36 36 ASN HB3 H 1 2.764 0.02 . . . . . A 36 ASN HB3 . 25816 1 305 . 1 1 36 36 ASN HD21 H 1 6.915 0.02 . . . . . A 36 ASN HD21 . 25816 1 306 . 1 1 36 36 ASN HD22 H 1 7.620 0.02 . . . . . A 36 ASN HD22 . 25816 1 307 . 1 1 36 36 ASN CA C 13 52.781 0.2 . . . . . A 36 ASN CA . 25816 1 308 . 1 1 36 36 ASN CB C 13 37.186 0.2 . . . . . A 36 ASN CB . 25816 1 309 . 1 1 36 36 ASN N N 15 119.749 0.2 . . . . . A 36 ASN N . 25816 1 310 . 1 1 37 37 GLY H H 1 8.496 0.02 . . . . . A 37 GLY H . 25816 1 311 . 1 1 37 37 GLY HA2 H 1 4.054 0.02 . . . . . A 37 GLY HA2 . 25816 1 312 . 1 1 37 37 GLY HA3 H 1 3.686 0.02 . . . . . A 37 GLY HA3 . 25816 1 313 . 1 1 37 37 GLY CA C 13 44.585 0.2 . . . . . A 37 GLY CA . 25816 1 314 . 1 1 37 37 GLY N N 15 110.628 0.2 . . . . . A 37 GLY N . 25816 1 315 . 1 1 38 38 GLY H H 1 7.955 0.02 . . . . . A 38 GLY H . 25816 1 316 . 1 1 38 38 GLY HA2 H 1 3.911 0.02 . . . . . A 38 GLY HA2 . 25816 1 317 . 1 1 38 38 GLY HA3 H 1 3.795 0.02 . . . . . A 38 GLY HA3 . 25816 1 318 . 1 1 38 38 GLY CA C 13 44.100 0.2 . . . . . A 38 GLY CA . 25816 1 319 . 1 1 38 38 GLY N N 15 108.654 0.2 . . . . . A 38 GLY N . 25816 1 320 . 1 1 39 39 ALA H H 1 8.028 0.02 . . . . . A 39 ALA H . 25816 1 321 . 1 1 39 39 ALA HA H 1 4.211 0.02 . . . . . A 39 ALA HA . 25816 1 322 . 1 1 39 39 ALA HB1 H 1 1.283 0.02 . . . . . A 39 ALA HB1 . 25816 1 323 . 1 1 39 39 ALA HB2 H 1 1.283 0.02 . . . . . A 39 ALA HB2 . 25816 1 324 . 1 1 39 39 ALA HB3 H 1 1.283 0.02 . . . . . A 39 ALA HB3 . 25816 1 325 . 1 1 39 39 ALA CA C 13 50.838 0.2 . . . . . A 39 ALA CA . 25816 1 326 . 1 1 39 39 ALA CB C 13 18.729 0.2 . . . . . A 39 ALA CB . 25816 1 327 . 1 1 39 39 ALA N N 15 123.326 0.2 . . . . . A 39 ALA N . 25816 1 328 . 1 1 40 40 ASP H H 1 8.261 0.02 . . . . . A 40 ASP H . 25816 1 329 . 1 1 40 40 ASP HA H 1 4.387 0.02 . . . . . A 40 ASP HA . 25816 1 330 . 1 1 40 40 ASP HB2 H 1 2.401 0.02 . . . . . A 40 ASP HB2 . 25816 1 331 . 1 1 40 40 ASP HB3 H 1 2.401 0.02 . . . . . A 40 ASP HB3 . 25816 1 332 . 1 1 40 40 ASP CA C 13 53.994 0.2 . . . . . A 40 ASP CA . 25816 1 333 . 1 1 40 40 ASP CB C 13 39.627 0.2 . . . . . A 40 ASP CB . 25816 1 334 . 1 1 40 40 ASP N N 15 119.573 0.2 . . . . . A 40 ASP N . 25816 1 335 . 1 1 41 41 LEU H H 1 8.663 0.02 . . . . . A 41 LEU H . 25816 1 336 . 1 1 41 41 LEU HA H 1 4.442 0.02 . . . . . A 41 LEU HA . 25816 1 337 . 1 1 41 41 LEU HB2 H 1 1.153 0.02 . . . . . A 41 LEU HB2 . 25816 1 338 . 1 1 41 41 LEU HB3 H 1 0.908 0.02 . . . . . A 41 LEU HB3 . 25816 1 339 . 1 1 41 41 LEU HD11 H 1 0.730 0.02 . . . . . A 41 LEU HD11 . 25816 1 340 . 1 1 41 41 LEU HD12 H 1 0.730 0.02 . . . . . A 41 LEU HD12 . 25816 1 341 . 1 1 41 41 LEU HD13 H 1 0.730 0.02 . . . . . A 41 LEU HD13 . 25816 1 342 . 1 1 41 41 LEU HD21 H 1 0.730 0.02 . . . . . A 41 LEU HD21 . 25816 1 343 . 1 1 41 41 LEU HD22 H 1 0.730 0.02 . . . . . A 41 LEU HD22 . 25816 1 344 . 1 1 41 41 LEU HD23 H 1 0.730 0.02 . . . . . A 41 LEU HD23 . 25816 1 345 . 1 1 41 41 LEU CA C 13 52.221 0.2 . . . . . A 41 LEU CA . 25816 1 346 . 1 1 41 41 LEU CB C 13 43.009 0.2 . . . . . A 41 LEU CB . 25816 1 347 . 1 1 41 41 LEU CD1 C 13 24.596 0.2 . . . . . A 41 LEU CD1 . 25816 1 348 . 1 1 41 41 LEU CD2 C 13 24.596 0.2 . . . . . A 41 LEU CD2 . 25816 1 349 . 1 1 41 41 LEU N N 15 123.899 0.2 . . . . . A 41 LEU N . 25816 1 350 . 1 1 42 42 MET H H 1 8.553 0.02 . . . . . A 42 MET H . 25816 1 351 . 1 1 42 42 MET HA H 1 4.730 0.02 . . . . . A 42 MET HA . 25816 1 352 . 1 1 42 42 MET HB2 H 1 2.233 0.02 . . . . . A 42 MET HB2 . 25816 1 353 . 1 1 42 42 MET HB3 H 1 2.026 0.02 . . . . . A 42 MET HB3 . 25816 1 354 . 1 1 42 42 MET HG2 H 1 2.898 0.02 . . . . . A 42 MET HG2 . 25816 1 355 . 1 1 42 42 MET HG3 H 1 2.898 0.02 . . . . . A 42 MET HG3 . 25816 1 356 . 1 1 42 42 MET CA C 13 54.695 0.2 . . . . . A 42 MET CA . 25816 1 357 . 1 1 42 42 MET CB C 13 32.194 0.2 . . . . . A 42 MET CB . 25816 1 358 . 1 1 42 42 MET CG C 13 31.046 0.2 . . . . . A 42 MET CG . 25816 1 359 . 1 1 42 42 MET N N 15 119.684 0.2 . . . . . A 42 MET N . 25816 1 360 . 1 1 43 43 GLY H H 1 8.618 0.02 . . . . . A 43 GLY H . 25816 1 361 . 1 1 43 43 GLY CA C 13 43.378 0.2 . . . . . A 43 GLY CA . 25816 1 362 . 1 1 43 43 GLY N N 15 113.052 0.2 . . . . . A 43 GLY N . 25816 1 363 . 1 1 44 44 PRO HA H 1 4.720 0.02 . . . . . A 44 PRO HA . 25816 1 364 . 1 1 44 44 PRO HB2 H 1 1.630 0.02 . . . . . A 44 PRO HB2 . 25816 1 365 . 1 1 44 44 PRO HB3 H 1 1.630 0.02 . . . . . A 44 PRO HB3 . 25816 1 366 . 1 1 44 44 PRO HD2 H 1 3.766 0.02 . . . . . A 44 PRO HD2 . 25816 1 367 . 1 1 44 44 PRO HD3 H 1 3.766 0.02 . . . . . A 44 PRO HD3 . 25816 1 368 . 1 1 44 44 PRO CA C 13 61.231 0.2 . . . . . A 44 PRO CA . 25816 1 369 . 1 1 44 44 PRO CB C 13 31.953 0.2 . . . . . A 44 PRO CB . 25816 1 370 . 1 1 44 44 PRO CD C 13 49.350 0.2 . . . . . A 44 PRO CD . 25816 1 371 . 1 1 45 45 ALA H H 1 7.524 0.02 . . . . . A 45 ALA H . 25816 1 372 . 1 1 45 45 ALA HA H 1 3.984 0.02 . . . . . A 45 ALA HA . 25816 1 373 . 1 1 45 45 ALA HB1 H 1 1.400 0.02 . . . . . A 45 ALA HB1 . 25816 1 374 . 1 1 45 45 ALA HB2 H 1 1.400 0.02 . . . . . A 45 ALA HB2 . 25816 1 375 . 1 1 45 45 ALA HB3 H 1 1.400 0.02 . . . . . A 45 ALA HB3 . 25816 1 376 . 1 1 45 45 ALA CA C 13 53.804 0.2 . . . . . A 45 ALA CA . 25816 1 377 . 1 1 45 45 ALA CB C 13 17.967 0.2 . . . . . A 45 ALA CB . 25816 1 378 . 1 1 45 45 ALA N N 15 120.693 0.2 . . . . . A 45 ALA N . 25816 1 379 . 1 1 46 46 PHE H H 1 8.603 0.02 . . . . . A 46 PHE H . 25816 1 380 . 1 1 46 46 PHE HA H 1 3.962 0.02 . . . . . A 46 PHE HA . 25816 1 381 . 1 1 46 46 PHE HB2 H 1 3.119 0.02 . . . . . A 46 PHE HB2 . 25816 1 382 . 1 1 46 46 PHE HB3 H 1 3.119 0.02 . . . . . A 46 PHE HB3 . 25816 1 383 . 1 1 46 46 PHE CA C 13 60.326 0.2 . . . . . A 46 PHE CA . 25816 1 384 . 1 1 46 46 PHE CB C 13 38.620 0.2 . . . . . A 46 PHE CB . 25816 1 385 . 1 1 46 46 PHE N N 15 122.306 0.2 . . . . . A 46 PHE N . 25816 1 386 . 1 1 47 47 ALA H H 1 9.199 0.02 . . . . . A 47 ALA H . 25816 1 387 . 1 1 47 47 ALA HA H 1 4.088 0.02 . . . . . A 47 ALA HA . 25816 1 388 . 1 1 47 47 ALA HB1 H 1 1.527 0.02 . . . . . A 47 ALA HB1 . 25816 1 389 . 1 1 47 47 ALA HB2 H 1 1.527 0.02 . . . . . A 47 ALA HB2 . 25816 1 390 . 1 1 47 47 ALA HB3 H 1 1.527 0.02 . . . . . A 47 ALA HB3 . 25816 1 391 . 1 1 47 47 ALA CA C 13 53.951 0.2 . . . . . A 47 ALA CA . 25816 1 392 . 1 1 47 47 ALA CB C 13 17.647 0.2 . . . . . A 47 ALA CB . 25816 1 393 . 1 1 47 47 ALA N N 15 123.253 0.2 . . . . . A 47 ALA N . 25816 1 394 . 1 1 48 48 ALA H H 1 7.262 0.02 . . . . . A 48 ALA H . 25816 1 395 . 1 1 48 48 ALA HA H 1 4.303 0.02 . . . . . A 48 ALA HA . 25816 1 396 . 1 1 48 48 ALA HB1 H 1 1.370 0.02 . . . . . A 48 ALA HB1 . 25816 1 397 . 1 1 48 48 ALA HB2 H 1 1.370 0.02 . . . . . A 48 ALA HB2 . 25816 1 398 . 1 1 48 48 ALA HB3 H 1 1.370 0.02 . . . . . A 48 ALA HB3 . 25816 1 399 . 1 1 48 48 ALA CA C 13 51.687 0.2 . . . . . A 48 ALA CA . 25816 1 400 . 1 1 48 48 ALA CB C 13 18.772 0.2 . . . . . A 48 ALA CB . 25816 1 401 . 1 1 48 48 ALA N N 15 117.571 0.2 . . . . . A 48 ALA N . 25816 1 402 . 1 1 49 49 GLY H H 1 7.461 0.02 . . . . . A 49 GLY H . 25816 1 403 . 1 1 49 49 GLY HA2 H 1 4.176 0.02 . . . . . A 49 GLY HA2 . 25816 1 404 . 1 1 49 49 GLY HA3 H 1 3.436 0.02 . . . . . A 49 GLY HA3 . 25816 1 405 . 1 1 49 49 GLY CA C 13 43.619 0.2 . . . . . A 49 GLY CA . 25816 1 406 . 1 1 49 49 GLY N N 15 103.229 0.2 . . . . . A 49 GLY N . 25816 1 407 . 1 1 50 50 LEU H H 1 7.224 0.02 . . . . . A 50 LEU H . 25816 1 408 . 1 1 50 50 LEU HA H 1 3.518 0.02 . . . . . A 50 LEU HA . 25816 1 409 . 1 1 50 50 LEU HB2 H 1 1.023 0.02 . . . . . A 50 LEU HB2 . 25816 1 410 . 1 1 50 50 LEU HB3 H 1 0.755 0.02 . . . . . A 50 LEU HB3 . 25816 1 411 . 1 1 50 50 LEU HD11 H 1 0.151 0.02 . . . . . A 50 LEU HD11 . 25816 1 412 . 1 1 50 50 LEU HD12 H 1 0.151 0.02 . . . . . A 50 LEU HD12 . 25816 1 413 . 1 1 50 50 LEU HD13 H 1 0.151 0.02 . . . . . A 50 LEU HD13 . 25816 1 414 . 1 1 50 50 LEU HD21 H 1 0.151 0.02 . . . . . A 50 LEU HD21 . 25816 1 415 . 1 1 50 50 LEU HD22 H 1 0.151 0.02 . . . . . A 50 LEU HD22 . 25816 1 416 . 1 1 50 50 LEU HD23 H 1 0.151 0.02 . . . . . A 50 LEU HD23 . 25816 1 417 . 1 1 50 50 LEU CA C 13 54.412 0.2 . . . . . A 50 LEU CA . 25816 1 418 . 1 1 50 50 LEU CB C 13 40.955 0.2 . . . . . A 50 LEU CB . 25816 1 419 . 1 1 50 50 LEU CD1 C 13 23.807 0.2 . . . . . A 50 LEU CD1 . 25816 1 420 . 1 1 50 50 LEU CD2 C 13 21.862 0.2 . . . . . A 50 LEU CD2 . 25816 1 421 . 1 1 50 50 LEU N N 15 120.470 0.2 . . . . . A 50 LEU N . 25816 1 422 . 1 1 51 51 ARG H H 1 8.678 0.02 . . . . . A 51 ARG H . 25816 1 423 . 1 1 51 51 ARG HB2 H 1 1.690 0.02 . . . . . A 51 ARG HB2 . 25816 1 424 . 1 1 51 51 ARG HB3 H 1 1.492 0.02 . . . . . A 51 ARG HB3 . 25816 1 425 . 1 1 51 51 ARG HD2 H 1 3.197 0.02 . . . . . A 51 ARG HD2 . 25816 1 426 . 1 1 51 51 ARG HD3 H 1 3.197 0.02 . . . . . A 51 ARG HD3 . 25816 1 427 . 1 1 51 51 ARG CA C 13 52.491 0.2 . . . . . A 51 ARG CA . 25816 1 428 . 1 1 51 51 ARG CB C 13 33.816 0.2 . . . . . A 51 ARG CB . 25816 1 429 . 1 1 51 51 ARG CG C 13 25.737 0.2 . . . . . A 51 ARG CG . 25816 1 430 . 1 1 51 51 ARG CD C 13 42.662 0.2 . . . . . A 51 ARG CD . 25816 1 431 . 1 1 51 51 ARG N N 15 119.645 0.2 . . . . . A 51 ARG N . 25816 1 432 . 1 1 52 52 VAL H H 1 8.482 0.02 . . . . . A 52 VAL H . 25816 1 433 . 1 1 52 52 VAL HA H 1 3.223 0.02 . . . . . A 52 VAL HA . 25816 1 434 . 1 1 52 52 VAL HB H 1 1.830 0.02 . . . . . A 52 VAL HB . 25816 1 435 . 1 1 52 52 VAL HG11 H 1 0.897 0.02 . . . . . A 52 VAL HG11 . 25816 1 436 . 1 1 52 52 VAL HG12 H 1 0.897 0.02 . . . . . A 52 VAL HG12 . 25816 1 437 . 1 1 52 52 VAL HG13 H 1 0.897 0.02 . . . . . A 52 VAL HG13 . 25816 1 438 . 1 1 52 52 VAL HG21 H 1 0.897 0.02 . . . . . A 52 VAL HG21 . 25816 1 439 . 1 1 52 52 VAL HG22 H 1 0.897 0.02 . . . . . A 52 VAL HG22 . 25816 1 440 . 1 1 52 52 VAL HG23 H 1 0.897 0.02 . . . . . A 52 VAL HG23 . 25816 1 441 . 1 1 52 52 VAL CA C 13 64.218 0.2 . . . . . A 52 VAL CA . 25816 1 442 . 1 1 52 52 VAL CB C 13 30.149 0.2 . . . . . A 52 VAL CB . 25816 1 443 . 1 1 52 52 VAL CG1 C 13 22.327 0.2 . . . . . A 52 VAL CG1 . 25816 1 444 . 1 1 52 52 VAL CG2 C 13 20.047 0.2 . . . . . A 52 VAL CG2 . 25816 1 445 . 1 1 52 52 VAL N N 15 119.995 0.2 . . . . . A 52 VAL N . 25816 1 446 . 1 1 53 53 GLY H H 1 9.122 0.02 . . . . . A 53 GLY H . 25816 1 447 . 1 1 53 53 GLY HA2 H 1 4.495 0.02 . . . . . A 53 GLY HA2 . 25816 1 448 . 1 1 53 53 GLY HA3 H 1 3.573 0.02 . . . . . A 53 GLY HA3 . 25816 1 449 . 1 1 53 53 GLY CA C 13 43.425 0.2 . . . . . A 53 GLY CA . 25816 1 450 . 1 1 53 53 GLY N N 15 117.052 0.2 . . . . . A 53 GLY N . 25816 1 451 . 1 1 54 54 ASP H H 1 7.848 0.02 . . . . . A 54 ASP H . 25816 1 452 . 1 1 54 54 ASP HA H 1 4.833 0.02 . . . . . A 54 ASP HA . 25816 1 453 . 1 1 54 54 ASP HB2 H 1 2.469 0.02 . . . . . A 54 ASP HB2 . 25816 1 454 . 1 1 54 54 ASP HB3 H 1 2.181 0.02 . . . . . A 54 ASP HB3 . 25816 1 455 . 1 1 54 54 ASP CA C 13 54.734 0.2 . . . . . A 54 ASP CA . 25816 1 456 . 1 1 54 54 ASP CB C 13 40.279 0.2 . . . . . A 54 ASP CB . 25816 1 457 . 1 1 54 54 ASP N N 15 124.203 0.2 . . . . . A 54 ASP N . 25816 1 458 . 1 1 55 55 GLN H H 1 9.158 0.02 . . . . . A 55 GLN H . 25816 1 459 . 1 1 55 55 GLN HA H 1 4.867 0.02 . . . . . A 55 GLN HA . 25816 1 460 . 1 1 55 55 GLN HB2 H 1 2.086 0.02 . . . . . A 55 GLN HB2 . 25816 1 461 . 1 1 55 55 GLN HB3 H 1 2.086 0.02 . . . . . A 55 GLN HB3 . 25816 1 462 . 1 1 55 55 GLN HG2 H 1 2.382 0.02 . . . . . A 55 GLN HG2 . 25816 1 463 . 1 1 55 55 GLN HG3 H 1 2.162 0.02 . . . . . A 55 GLN HG3 . 25816 1 464 . 1 1 55 55 GLN HE21 H 1 6.932 0.02 . . . . . A 55 GLN HE21 . 25816 1 465 . 1 1 55 55 GLN HE22 H 1 7.438 0.02 . . . . . A 55 GLN HE22 . 25816 1 466 . 1 1 55 55 GLN CA C 13 53.526 0.2 . . . . . A 55 GLN CA . 25816 1 467 . 1 1 55 55 GLN CB C 13 29.032 0.2 . . . . . A 55 GLN CB . 25816 1 468 . 1 1 55 55 GLN CG C 13 32.528 0.2 . . . . . A 55 GLN CG . 25816 1 469 . 1 1 55 55 GLN N N 15 121.703 0.2 . . . . . A 55 GLN N . 25816 1 470 . 1 1 55 55 GLN NE2 N 15 111.575 0.2 . . . . . A 55 GLN NE2 . 25816 1 471 . 1 1 56 56 LEU H H 1 8.770 0.02 . . . . . A 56 LEU H . 25816 1 472 . 1 1 56 56 LEU HA H 1 4.187 0.02 . . . . . A 56 LEU HA . 25816 1 473 . 1 1 56 56 LEU HB2 H 1 1.511 0.02 . . . . . A 56 LEU HB2 . 25816 1 474 . 1 1 56 56 LEU HB3 H 1 1.346 0.02 . . . . . A 56 LEU HB3 . 25816 1 475 . 1 1 56 56 LEU HD11 H 1 0.624 0.02 . . . . . A 56 LEU HD11 . 25816 1 476 . 1 1 56 56 LEU HD12 H 1 0.624 0.02 . . . . . A 56 LEU HD12 . 25816 1 477 . 1 1 56 56 LEU HD13 H 1 0.624 0.02 . . . . . A 56 LEU HD13 . 25816 1 478 . 1 1 56 56 LEU HD21 H 1 0.624 0.02 . . . . . A 56 LEU HD21 . 25816 1 479 . 1 1 56 56 LEU HD22 H 1 0.624 0.02 . . . . . A 56 LEU HD22 . 25816 1 480 . 1 1 56 56 LEU HD23 H 1 0.624 0.02 . . . . . A 56 LEU HD23 . 25816 1 481 . 1 1 56 56 LEU CA C 13 55.195 0.2 . . . . . A 56 LEU CA . 25816 1 482 . 1 1 56 56 LEU CB C 13 42.013 0.2 . . . . . A 56 LEU CB . 25816 1 483 . 1 1 56 56 LEU CG C 13 26.136 0.2 . . . . . A 56 LEU CG . 25816 1 484 . 1 1 56 56 LEU CD1 C 13 24.005 0.2 . . . . . A 56 LEU CD1 . 25816 1 485 . 1 1 56 56 LEU N N 15 124.733 0.2 . . . . . A 56 LEU N . 25816 1 486 . 1 1 57 57 VAL H H 1 8.889 0.02 . . . . . A 57 VAL H . 25816 1 487 . 1 1 57 57 VAL HA H 1 4.308 0.02 . . . . . A 57 VAL HA . 25816 1 488 . 1 1 57 57 VAL HB H 1 1.654 0.02 . . . . . A 57 VAL HB . 25816 1 489 . 1 1 57 57 VAL HG11 H 1 0.877 0.02 . . . . . A 57 VAL HG11 . 25816 1 490 . 1 1 57 57 VAL HG12 H 1 0.877 0.02 . . . . . A 57 VAL HG12 . 25816 1 491 . 1 1 57 57 VAL HG13 H 1 0.877 0.02 . . . . . A 57 VAL HG13 . 25816 1 492 . 1 1 57 57 VAL HG21 H 1 0.877 0.02 . . . . . A 57 VAL HG21 . 25816 1 493 . 1 1 57 57 VAL HG22 H 1 0.877 0.02 . . . . . A 57 VAL HG22 . 25816 1 494 . 1 1 57 57 VAL HG23 H 1 0.877 0.02 . . . . . A 57 VAL HG23 . 25816 1 495 . 1 1 57 57 VAL CA C 13 63.143 0.2 . . . . . A 57 VAL CA . 25816 1 496 . 1 1 57 57 VAL CB C 13 32.635 0.2 . . . . . A 57 VAL CB . 25816 1 497 . 1 1 57 57 VAL CG1 C 13 19.708 0.2 . . . . . A 57 VAL CG1 . 25816 1 498 . 1 1 57 57 VAL CG2 C 13 19.708 0.2 . . . . . A 57 VAL CG2 . 25816 1 499 . 1 1 57 57 VAL N N 15 123.383 0.2 . . . . . A 57 VAL N . 25816 1 500 . 1 1 58 58 ARG H H 1 8.531 0.02 . . . . . A 58 ARG H . 25816 1 501 . 1 1 58 58 ARG HA H 1 5.338 0.02 . . . . . A 58 ARG HA . 25816 1 502 . 1 1 58 58 ARG HB2 H 1 1.495 0.02 . . . . . A 58 ARG HB2 . 25816 1 503 . 1 1 58 58 ARG HB3 H 1 1.495 0.02 . . . . . A 58 ARG HB3 . 25816 1 504 . 1 1 58 58 ARG HD2 H 1 2.939 0.02 . . . . . A 58 ARG HD2 . 25816 1 505 . 1 1 58 58 ARG HD3 H 1 2.939 0.02 . . . . . A 58 ARG HD3 . 25816 1 506 . 1 1 58 58 ARG CA C 13 54.212 0.2 . . . . . A 58 ARG CA . 25816 1 507 . 1 1 58 58 ARG CB C 13 34.613 0.2 . . . . . A 58 ARG CB . 25816 1 508 . 1 1 58 58 ARG CG C 13 26.920 0.2 . . . . . A 58 ARG CG . 25816 1 509 . 1 1 58 58 ARG CD C 13 42.360 0.2 . . . . . A 58 ARG CD . 25816 1 510 . 1 1 58 58 ARG N N 15 118.094 0.2 . . . . . A 58 ARG N . 25816 1 511 . 1 1 59 59 PHE H H 1 9.295 0.02 . . . . . A 59 PHE H . 25816 1 512 . 1 1 59 59 PHE HA H 1 4.935 0.02 . . . . . A 59 PHE HA . 25816 1 513 . 1 1 59 59 PHE HB2 H 1 3.232 0.02 . . . . . A 59 PHE HB2 . 25816 1 514 . 1 1 59 59 PHE HB3 H 1 2.920 0.02 . . . . . A 59 PHE HB3 . 25816 1 515 . 1 1 59 59 PHE CA C 13 56.856 0.2 . . . . . A 59 PHE CA . 25816 1 516 . 1 1 59 59 PHE CB C 13 42.971 0.2 . . . . . A 59 PHE CB . 25816 1 517 . 1 1 59 59 PHE N N 15 123.332 0.2 . . . . . A 59 PHE N . 25816 1 518 . 1 1 60 60 ALA H H 1 8.356 0.02 . . . . . A 60 ALA H . 25816 1 519 . 1 1 60 60 ALA HA H 1 3.587 0.02 . . . . . A 60 ALA HA . 25816 1 520 . 1 1 60 60 ALA HB1 H 1 1.190 0.02 . . . . . A 60 ALA HB1 . 25816 1 521 . 1 1 60 60 ALA HB2 H 1 1.190 0.02 . . . . . A 60 ALA HB2 . 25816 1 522 . 1 1 60 60 ALA HB3 H 1 1.190 0.02 . . . . . A 60 ALA HB3 . 25816 1 523 . 1 1 60 60 ALA CA C 13 52.374 0.2 . . . . . A 60 ALA CA . 25816 1 524 . 1 1 60 60 ALA CB C 13 15.473 0.2 . . . . . A 60 ALA CB . 25816 1 525 . 1 1 60 60 ALA N N 15 127.537 0.2 . . . . . A 60 ALA N . 25816 1 526 . 1 1 61 61 GLY H H 1 9.178 0.02 . . . . . A 61 GLY H . 25816 1 527 . 1 1 61 61 GLY HA2 H 1 4.001 0.02 . . . . . A 61 GLY HA2 . 25816 1 528 . 1 1 61 61 GLY HA3 H 1 3.256 0.02 . . . . . A 61 GLY HA3 . 25816 1 529 . 1 1 61 61 GLY CA C 13 43.787 0.2 . . . . . A 61 GLY CA . 25816 1 530 . 1 1 61 61 GLY N N 15 103.058 0.2 . . . . . A 61 GLY N . 25816 1 531 . 1 1 62 62 TYR H H 1 7.888 0.02 . . . . . A 62 TYR H . 25816 1 532 . 1 1 62 62 TYR HA H 1 4.630 0.02 . . . . . A 62 TYR HA . 25816 1 533 . 1 1 62 62 TYR HB2 H 1 3.023 0.02 . . . . . A 62 TYR HB2 . 25816 1 534 . 1 1 62 62 TYR HB3 H 1 3.023 0.02 . . . . . A 62 TYR HB3 . 25816 1 535 . 1 1 62 62 TYR CA C 13 56.577 0.2 . . . . . A 62 TYR CA . 25816 1 536 . 1 1 62 62 TYR CB C 13 38.892 0.2 . . . . . A 62 TYR CB . 25816 1 537 . 1 1 62 62 TYR N N 15 120.218 0.2 . . . . . A 62 TYR N . 25816 1 538 . 1 1 63 63 THR H H 1 9.108 0.02 . . . . . A 63 THR H . 25816 1 539 . 1 1 63 63 THR HA H 1 4.479 0.02 . . . . . A 63 THR HA . 25816 1 540 . 1 1 63 63 THR HB H 1 4.176 0.02 . . . . . A 63 THR HB . 25816 1 541 . 1 1 63 63 THR HG21 H 1 1.300 0.02 . . . . . A 63 THR HG21 . 25816 1 542 . 1 1 63 63 THR HG22 H 1 1.300 0.02 . . . . . A 63 THR HG22 . 25816 1 543 . 1 1 63 63 THR HG23 H 1 1.300 0.02 . . . . . A 63 THR HG23 . 25816 1 544 . 1 1 63 63 THR CA C 13 62.851 0.2 . . . . . A 63 THR CA . 25816 1 545 . 1 1 63 63 THR CB C 13 67.848 0.2 . . . . . A 63 THR CB . 25816 1 546 . 1 1 63 63 THR CG2 C 13 21.168 0.2 . . . . . A 63 THR CG2 . 25816 1 547 . 1 1 63 63 THR N N 15 120.933 0.2 . . . . . A 63 THR N . 25816 1 548 . 1 1 64 64 VAL H H 1 7.782 0.02 . . . . . A 64 VAL H . 25816 1 549 . 1 1 64 64 VAL HA H 1 4.599 0.02 . . . . . A 64 VAL HA . 25816 1 550 . 1 1 64 64 VAL HB H 1 2.029 0.02 . . . . . A 64 VAL HB . 25816 1 551 . 1 1 64 64 VAL HG11 H 1 1.016 0.02 . . . . . A 64 VAL HG11 . 25816 1 552 . 1 1 64 64 VAL HG12 H 1 1.016 0.02 . . . . . A 64 VAL HG12 . 25816 1 553 . 1 1 64 64 VAL HG13 H 1 1.016 0.02 . . . . . A 64 VAL HG13 . 25816 1 554 . 1 1 64 64 VAL HG21 H 1 1.016 0.02 . . . . . A 64 VAL HG21 . 25816 1 555 . 1 1 64 64 VAL HG22 H 1 1.016 0.02 . . . . . A 64 VAL HG22 . 25816 1 556 . 1 1 64 64 VAL HG23 H 1 1.016 0.02 . . . . . A 64 VAL HG23 . 25816 1 557 . 1 1 64 64 VAL CA C 13 58.867 0.2 . . . . . A 64 VAL CA . 25816 1 558 . 1 1 64 64 VAL CB C 13 33.004 0.2 . . . . . A 64 VAL CB . 25816 1 559 . 1 1 64 64 VAL CG1 C 13 22.194 0.2 . . . . . A 64 VAL CG1 . 25816 1 560 . 1 1 64 64 VAL CG2 C 13 18.889 0.2 . . . . . A 64 VAL CG2 . 25816 1 561 . 1 1 64 64 VAL N N 15 121.039 0.2 . . . . . A 64 VAL N . 25816 1 562 . 1 1 65 65 THR H H 1 9.053 0.02 . . . . . A 65 THR H . 25816 1 563 . 1 1 65 65 THR HA H 1 4.452 0.02 . . . . . A 65 THR HA . 25816 1 564 . 1 1 65 65 THR HB H 1 4.312 0.02 . . . . . A 65 THR HB . 25816 1 565 . 1 1 65 65 THR HG21 H 1 1.164 0.02 . . . . . A 65 THR HG21 . 25816 1 566 . 1 1 65 65 THR HG22 H 1 1.164 0.02 . . . . . A 65 THR HG22 . 25816 1 567 . 1 1 65 65 THR HG23 H 1 1.164 0.02 . . . . . A 65 THR HG23 . 25816 1 568 . 1 1 65 65 THR CA C 13 60.536 0.2 . . . . . A 65 THR CA . 25816 1 569 . 1 1 65 65 THR CB C 13 69.037 0.2 . . . . . A 65 THR CB . 25816 1 570 . 1 1 65 65 THR CG2 C 13 21.146 0.2 . . . . . A 65 THR CG2 . 25816 1 571 . 1 1 65 65 THR N N 15 114.373 0.2 . . . . . A 65 THR N . 25816 1 572 . 1 1 66 66 GLU H H 1 7.345 0.02 . . . . . A 66 GLU H . 25816 1 573 . 1 1 66 66 GLU HA H 1 4.563 0.02 . . . . . A 66 GLU HA . 25816 1 574 . 1 1 66 66 GLU HB2 H 1 2.259 0.02 . . . . . A 66 GLU HB2 . 25816 1 575 . 1 1 66 66 GLU HB3 H 1 1.996 0.02 . . . . . A 66 GLU HB3 . 25816 1 576 . 1 1 66 66 GLU HG2 H 1 2.291 0.02 . . . . . A 66 GLU HG2 . 25816 1 577 . 1 1 66 66 GLU HG3 H 1 2.291 0.02 . . . . . A 66 GLU HG3 . 25816 1 578 . 1 1 66 66 GLU CA C 13 53.387 0.2 . . . . . A 66 GLU CA . 25816 1 579 . 1 1 66 66 GLU CB C 13 31.565 0.2 . . . . . A 66 GLU CB . 25816 1 580 . 1 1 66 66 GLU CG C 13 34.539 0.2 . . . . . A 66 GLU CG . 25816 1 581 . 1 1 66 66 GLU N N 15 115.766 0.2 . . . . . A 66 GLU N . 25816 1 582 . 1 1 67 67 LEU H H 1 8.906 0.02 . . . . . A 67 LEU H . 25816 1 583 . 1 1 67 67 LEU HA H 1 3.934 0.02 . . . . . A 67 LEU HA . 25816 1 584 . 1 1 67 67 LEU HB2 H 1 1.724 0.02 . . . . . A 67 LEU HB2 . 25816 1 585 . 1 1 67 67 LEU HB3 H 1 1.430 0.02 . . . . . A 67 LEU HB3 . 25816 1 586 . 1 1 67 67 LEU HD11 H 1 0.844 0.02 . . . . . A 67 LEU HD11 . 25816 1 587 . 1 1 67 67 LEU HD12 H 1 0.844 0.02 . . . . . A 67 LEU HD12 . 25816 1 588 . 1 1 67 67 LEU HD13 H 1 0.844 0.02 . . . . . A 67 LEU HD13 . 25816 1 589 . 1 1 67 67 LEU HD21 H 1 0.844 0.02 . . . . . A 67 LEU HD21 . 25816 1 590 . 1 1 67 67 LEU HD22 H 1 0.844 0.02 . . . . . A 67 LEU HD22 . 25816 1 591 . 1 1 67 67 LEU HD23 H 1 0.844 0.02 . . . . . A 67 LEU HD23 . 25816 1 592 . 1 1 67 67 LEU CA C 13 57.535 0.2 . . . . . A 67 LEU CA . 25816 1 593 . 1 1 67 67 LEU CB C 13 41.053 0.2 . . . . . A 67 LEU CB . 25816 1 594 . 1 1 67 67 LEU CD1 C 13 23.337 0.2 . . . . . A 67 LEU CD1 . 25816 1 595 . 1 1 67 67 LEU CD2 C 13 23.337 0.2 . . . . . A 67 LEU CD2 . 25816 1 596 . 1 1 67 67 LEU N N 15 124.674 0.2 . . . . . A 67 LEU N . 25816 1 597 . 1 1 68 68 ALA H H 1 9.022 0.02 . . . . . A 68 ALA H . 25816 1 598 . 1 1 68 68 ALA HA H 1 4.136 0.02 . . . . . A 68 ALA HA . 25816 1 599 . 1 1 68 68 ALA HB1 H 1 1.433 0.02 . . . . . A 68 ALA HB1 . 25816 1 600 . 1 1 68 68 ALA HB2 H 1 1.433 0.02 . . . . . A 68 ALA HB2 . 25816 1 601 . 1 1 68 68 ALA HB3 H 1 1.433 0.02 . . . . . A 68 ALA HB3 . 25816 1 602 . 1 1 68 68 ALA CA C 13 54.674 0.2 . . . . . A 68 ALA CA . 25816 1 603 . 1 1 68 68 ALA CB C 13 16.521 0.2 . . . . . A 68 ALA CB . 25816 1 604 . 1 1 68 68 ALA N N 15 120.493 0.2 . . . . . A 68 ALA N . 25816 1 605 . 1 1 69 69 ALA H H 1 7.258 0.02 . . . . . A 69 ALA H . 25816 1 606 . 1 1 69 69 ALA HA H 1 4.162 0.02 . . . . . A 69 ALA HA . 25816 1 607 . 1 1 69 69 ALA HB1 H 1 1.616 0.02 . . . . . A 69 ALA HB1 . 25816 1 608 . 1 1 69 69 ALA HB2 H 1 1.616 0.02 . . . . . A 69 ALA HB2 . 25816 1 609 . 1 1 69 69 ALA HB3 H 1 1.616 0.02 . . . . . A 69 ALA HB3 . 25816 1 610 . 1 1 69 69 ALA CA C 13 54.020 0.2 . . . . . A 69 ALA CA . 25816 1 611 . 1 1 69 69 ALA CB C 13 17.663 0.2 . . . . . A 69 ALA CB . 25816 1 612 . 1 1 69 69 ALA N N 15 119.695 0.2 . . . . . A 69 ALA N . 25816 1 613 . 1 1 70 70 PHE H H 1 7.769 0.02 . . . . . A 70 PHE H . 25816 1 614 . 1 1 70 70 PHE HA H 1 3.959 0.02 . . . . . A 70 PHE HA . 25816 1 615 . 1 1 70 70 PHE HB2 H 1 3.148 0.02 . . . . . A 70 PHE HB2 . 25816 1 616 . 1 1 70 70 PHE HB3 H 1 2.869 0.02 . . . . . A 70 PHE HB3 . 25816 1 617 . 1 1 70 70 PHE CA C 13 60.960 0.2 . . . . . A 70 PHE CA . 25816 1 618 . 1 1 70 70 PHE CB C 13 38.432 0.2 . . . . . A 70 PHE CB . 25816 1 619 . 1 1 70 70 PHE N N 15 119.274 0.2 . . . . . A 70 PHE N . 25816 1 620 . 1 1 71 71 ASN H H 1 8.801 0.02 . . . . . A 71 ASN H . 25816 1 621 . 1 1 71 71 ASN HA H 1 4.102 0.02 . . . . . A 71 ASN HA . 25816 1 622 . 1 1 71 71 ASN HB2 H 1 2.886 0.02 . . . . . A 71 ASN HB2 . 25816 1 623 . 1 1 71 71 ASN HB3 H 1 2.690 0.02 . . . . . A 71 ASN HB3 . 25816 1 624 . 1 1 71 71 ASN HD21 H 1 6.647 0.02 . . . . . A 71 ASN HD21 . 25816 1 625 . 1 1 71 71 ASN CA C 13 54.697 0.2 . . . . . A 71 ASN CA . 25816 1 626 . 1 1 71 71 ASN CB C 13 36.073 0.2 . . . . . A 71 ASN CB . 25816 1 627 . 1 1 71 71 ASN N N 15 117.363 0.2 . . . . . A 71 ASN N . 25816 1 628 . 1 1 71 71 ASN ND2 N 15 110.152 0.2 . . . . . A 71 ASN ND2 . 25816 1 629 . 1 1 72 72 THR H H 1 8.109 0.02 . . . . . A 72 THR H . 25816 1 630 . 1 1 72 72 THR HA H 1 4.220 0.02 . . . . . A 72 THR HA . 25816 1 631 . 1 1 72 72 THR HB H 1 3.908 0.02 . . . . . A 72 THR HB . 25816 1 632 . 1 1 72 72 THR HG21 H 1 1.115 0.02 . . . . . A 72 THR HG21 . 25816 1 633 . 1 1 72 72 THR HG22 H 1 1.115 0.02 . . . . . A 72 THR HG22 . 25816 1 634 . 1 1 72 72 THR HG23 H 1 1.115 0.02 . . . . . A 72 THR HG23 . 25816 1 635 . 1 1 72 72 THR CA C 13 65.927 0.2 . . . . . A 72 THR CA . 25816 1 636 . 1 1 72 72 THR CB C 13 67.600 0.2 . . . . . A 72 THR CB . 25816 1 637 . 1 1 72 72 THR CG2 C 13 20.438 0.2 . . . . . A 72 THR CG2 . 25816 1 638 . 1 1 72 72 THR N N 15 119.746 0.2 . . . . . A 72 THR N . 25816 1 639 . 1 1 73 73 VAL H H 1 7.744 0.02 . . . . . A 73 VAL H . 25816 1 640 . 1 1 73 73 VAL HA H 1 3.455 0.02 . . . . . A 73 VAL HA . 25816 1 641 . 1 1 73 73 VAL HB H 1 2.120 0.02 . . . . . A 73 VAL HB . 25816 1 642 . 1 1 73 73 VAL HG11 H 1 0.979 0.02 . . . . . A 73 VAL HG11 . 25816 1 643 . 1 1 73 73 VAL HG12 H 1 0.979 0.02 . . . . . A 73 VAL HG12 . 25816 1 644 . 1 1 73 73 VAL HG13 H 1 0.979 0.02 . . . . . A 73 VAL HG13 . 25816 1 645 . 1 1 73 73 VAL HG21 H 1 0.685 0.02 . . . . . A 73 VAL HG21 . 25816 1 646 . 1 1 73 73 VAL HG22 H 1 0.685 0.02 . . . . . A 73 VAL HG22 . 25816 1 647 . 1 1 73 73 VAL HG23 H 1 0.685 0.02 . . . . . A 73 VAL HG23 . 25816 1 648 . 1 1 73 73 VAL CA C 13 66.156 0.2 . . . . . A 73 VAL CA . 25816 1 649 . 1 1 73 73 VAL CB C 13 30.336 0.2 . . . . . A 73 VAL CB . 25816 1 650 . 1 1 73 73 VAL CG1 C 13 21.406 0.2 . . . . . A 73 VAL CG1 . 25816 1 651 . 1 1 73 73 VAL CG2 C 13 21.406 0.2 . . . . . A 73 VAL CG2 . 25816 1 652 . 1 1 73 73 VAL N N 15 123.156 0.2 . . . . . A 73 VAL N . 25816 1 653 . 1 1 74 74 VAL H H 1 8.154 0.02 . . . . . A 74 VAL H . 25816 1 654 . 1 1 74 74 VAL HA H 1 3.366 0.02 . . . . . A 74 VAL HA . 25816 1 655 . 1 1 74 74 VAL HB H 1 1.743 0.02 . . . . . A 74 VAL HB . 25816 1 656 . 1 1 74 74 VAL HG11 H 1 0.653 0.02 . . . . . A 74 VAL HG11 . 25816 1 657 . 1 1 74 74 VAL HG12 H 1 0.653 0.02 . . . . . A 74 VAL HG12 . 25816 1 658 . 1 1 74 74 VAL HG13 H 1 0.653 0.02 . . . . . A 74 VAL HG13 . 25816 1 659 . 1 1 74 74 VAL HG21 H 1 0.653 0.02 . . . . . A 74 VAL HG21 . 25816 1 660 . 1 1 74 74 VAL HG22 H 1 0.653 0.02 . . . . . A 74 VAL HG22 . 25816 1 661 . 1 1 74 74 VAL HG23 H 1 0.653 0.02 . . . . . A 74 VAL HG23 . 25816 1 662 . 1 1 74 74 VAL CA C 13 65.598 0.2 . . . . . A 74 VAL CA . 25816 1 663 . 1 1 74 74 VAL CB C 13 30.485 0.2 . . . . . A 74 VAL CB . 25816 1 664 . 1 1 74 74 VAL CG1 C 13 21.958 0.2 . . . . . A 74 VAL CG1 . 25816 1 665 . 1 1 74 74 VAL CG2 C 13 19.720 0.2 . . . . . A 74 VAL CG2 . 25816 1 666 . 1 1 74 74 VAL N N 15 120.420 0.2 . . . . . A 74 VAL N . 25816 1 667 . 1 1 75 75 ALA H H 1 7.788 0.02 . . . . . A 75 ALA H . 25816 1 668 . 1 1 75 75 ALA HA H 1 3.995 0.02 . . . . . A 75 ALA HA . 25816 1 669 . 1 1 75 75 ALA HB1 H 1 1.427 0.02 . . . . . A 75 ALA HB1 . 25816 1 670 . 1 1 75 75 ALA HB2 H 1 1.427 0.02 . . . . . A 75 ALA HB2 . 25816 1 671 . 1 1 75 75 ALA HB3 H 1 1.427 0.02 . . . . . A 75 ALA HB3 . 25816 1 672 . 1 1 75 75 ALA CA C 13 53.999 0.2 . . . . . A 75 ALA CA . 25816 1 673 . 1 1 75 75 ALA CB C 13 16.964 0.2 . . . . . A 75 ALA CB . 25816 1 674 . 1 1 75 75 ALA N N 15 120.206 0.2 . . . . . A 75 ALA N . 25816 1 675 . 1 1 76 76 ARG H H 1 7.705 0.02 . . . . . A 76 ARG H . 25816 1 676 . 1 1 76 76 ARG HA H 1 4.085 0.02 . . . . . A 76 ARG HA . 25816 1 677 . 1 1 76 76 ARG HB2 H 1 1.470 0.02 . . . . . A 76 ARG HB2 . 25816 1 678 . 1 1 76 76 ARG HB3 H 1 1.254 0.02 . . . . . A 76 ARG HB3 . 25816 1 679 . 1 1 76 76 ARG HG2 H 1 1.136 0.02 . . . . . A 76 ARG HG2 . 25816 1 680 . 1 1 76 76 ARG HG3 H 1 1.136 0.02 . . . . . A 76 ARG HG3 . 25816 1 681 . 1 1 76 76 ARG HD2 H 1 2.952 0.02 . . . . . A 76 ARG HD2 . 25816 1 682 . 1 1 76 76 ARG HD3 H 1 2.952 0.02 . . . . . A 76 ARG HD3 . 25816 1 683 . 1 1 76 76 ARG CA C 13 56.982 0.2 . . . . . A 76 ARG CA . 25816 1 684 . 1 1 76 76 ARG CB C 13 30.684 0.2 . . . . . A 76 ARG CB . 25816 1 685 . 1 1 76 76 ARG CG C 13 25.862 0.2 . . . . . A 76 ARG CG . 25816 1 686 . 1 1 76 76 ARG CD C 13 42.333 0.2 . . . . . A 76 ARG CD . 25816 1 687 . 1 1 76 76 ARG N N 15 114.701 0.2 . . . . . A 76 ARG N . 25816 1 688 . 1 1 77 77 HIS H H 1 8.123 0.02 . . . . . A 77 HIS H . 25816 1 689 . 1 1 77 77 HIS HA H 1 4.810 0.02 . . . . . A 77 HIS HA . 25816 1 690 . 1 1 77 77 HIS HB2 H 1 3.225 0.02 . . . . . A 77 HIS HB2 . 25816 1 691 . 1 1 77 77 HIS HB3 H 1 2.820 0.02 . . . . . A 77 HIS HB3 . 25816 1 692 . 1 1 77 77 HIS CA C 13 56.161 0.2 . . . . . A 77 HIS CA . 25816 1 693 . 1 1 77 77 HIS CB C 13 31.033 0.2 . . . . . A 77 HIS CB . 25816 1 694 . 1 1 77 77 HIS N N 15 112.695 0.2 . . . . . A 77 HIS N . 25816 1 695 . 1 1 78 78 VAL H H 1 8.034 0.02 . . . . . A 78 VAL H . 25816 1 696 . 1 1 78 78 VAL HA H 1 3.893 0.02 . . . . . A 78 VAL HA . 25816 1 697 . 1 1 78 78 VAL HB H 1 2.700 0.02 . . . . . A 78 VAL HB . 25816 1 698 . 1 1 78 78 VAL HG11 H 1 1.104 0.02 . . . . . A 78 VAL HG11 . 25816 1 699 . 1 1 78 78 VAL HG12 H 1 1.104 0.02 . . . . . A 78 VAL HG12 . 25816 1 700 . 1 1 78 78 VAL HG13 H 1 1.104 0.02 . . . . . A 78 VAL HG13 . 25816 1 701 . 1 1 78 78 VAL HG21 H 1 0.893 0.02 . . . . . A 78 VAL HG21 . 25816 1 702 . 1 1 78 78 VAL HG22 H 1 0.893 0.02 . . . . . A 78 VAL HG22 . 25816 1 703 . 1 1 78 78 VAL HG23 H 1 0.893 0.02 . . . . . A 78 VAL HG23 . 25816 1 704 . 1 1 78 78 VAL CA C 13 63.565 0.2 . . . . . A 78 VAL CA . 25816 1 705 . 1 1 78 78 VAL CB C 13 29.128 0.2 . . . . . A 78 VAL CB . 25816 1 706 . 1 1 78 78 VAL CG1 C 13 22.864 0.2 . . . . . A 78 VAL CG1 . 25816 1 707 . 1 1 78 78 VAL CG2 C 13 20.669 0.2 . . . . . A 78 VAL CG2 . 25816 1 708 . 1 1 78 78 VAL N N 15 119.219 0.2 . . . . . A 78 VAL N . 25816 1 709 . 1 1 79 79 ARG H H 1 7.023 0.02 . . . . . A 79 ARG H . 25816 1 710 . 1 1 79 79 ARG CA C 13 51.361 0.2 . . . . . A 79 ARG CA . 25816 1 711 . 1 1 79 79 ARG CB C 13 30.191 0.2 . . . . . A 79 ARG CB . 25816 1 712 . 1 1 79 79 ARG N N 15 126.908 0.2 . . . . . A 79 ARG N . 25816 1 713 . 1 1 80 80 PRO HA H 1 4.025 0.02 . . . . . A 80 PRO HA . 25816 1 714 . 1 1 80 80 PRO HB2 H 1 1.894 0.02 . . . . . A 80 PRO HB2 . 25816 1 715 . 1 1 80 80 PRO HB3 H 1 2.172 0.02 . . . . . A 80 PRO HB3 . 25816 1 716 . 1 1 80 80 PRO HG2 H 1 1.595 0.02 . . . . . A 80 PRO HG2 . 25816 1 717 . 1 1 80 80 PRO HG3 H 1 1.595 0.02 . . . . . A 80 PRO HG3 . 25816 1 718 . 1 1 80 80 PRO CA C 13 63.570 0.2 . . . . . A 80 PRO CA . 25816 1 719 . 1 1 80 80 PRO CB C 13 31.212 0.2 . . . . . A 80 PRO CB . 25816 1 720 . 1 1 80 80 PRO CG C 13 27.001 0.2 . . . . . A 80 PRO CG . 25816 1 721 . 1 1 80 80 PRO CD C 13 49.577 0.2 . . . . . A 80 PRO CD . 25816 1 722 . 1 1 81 81 SER H H 1 8.210 0.02 . . . . . A 81 SER H . 25816 1 723 . 1 1 81 81 SER HA H 1 4.047 0.02 . . . . . A 81 SER HA . 25816 1 724 . 1 1 81 81 SER HB2 H 1 3.990 0.02 . . . . . A 81 SER HB2 . 25816 1 725 . 1 1 81 81 SER HB3 H 1 3.990 0.02 . . . . . A 81 SER HB3 . 25816 1 726 . 1 1 81 81 SER CA C 13 60.713 0.2 . . . . . A 81 SER CA . 25816 1 727 . 1 1 81 81 SER N N 15 115.039 0.2 . . . . . A 81 SER N . 25816 1 728 . 1 1 82 82 ALA H H 1 7.770 0.02 . . . . . A 82 ALA H . 25816 1 729 . 1 1 82 82 ALA HA H 1 4.346 0.02 . . . . . A 82 ALA HA . 25816 1 730 . 1 1 82 82 ALA HB1 H 1 1.463 0.02 . . . . . A 82 ALA HB1 . 25816 1 731 . 1 1 82 82 ALA HB2 H 1 1.463 0.02 . . . . . A 82 ALA HB2 . 25816 1 732 . 1 1 82 82 ALA HB3 H 1 1.463 0.02 . . . . . A 82 ALA HB3 . 25816 1 733 . 1 1 82 82 ALA CA C 13 51.506 0.2 . . . . . A 82 ALA CA . 25816 1 734 . 1 1 82 82 ALA CB C 13 19.095 0.2 . . . . . A 82 ALA CB . 25816 1 735 . 1 1 82 82 ALA N N 15 123.546 0.2 . . . . . A 82 ALA N . 25816 1 736 . 1 1 83 83 SER H H 1 8.524 0.02 . . . . . A 83 SER H . 25816 1 737 . 1 1 83 83 SER HA H 1 5.129 0.02 . . . . . A 83 SER HA . 25816 1 738 . 1 1 83 83 SER HB2 H 1 3.707 0.02 . . . . . A 83 SER HB2 . 25816 1 739 . 1 1 83 83 SER HB3 H 1 3.541 0.02 . . . . . A 83 SER HB3 . 25816 1 740 . 1 1 83 83 SER CA C 13 56.582 0.2 . . . . . A 83 SER CA . 25816 1 741 . 1 1 83 83 SER CB C 13 62.554 0.2 . . . . . A 83 SER CB . 25816 1 742 . 1 1 83 83 SER N N 15 116.753 0.2 . . . . . A 83 SER N . 25816 1 743 . 1 1 84 84 ILE H H 1 9.599 0.02 . . . . . A 84 ILE H . 25816 1 744 . 1 1 84 84 ILE CA C 13 54.786 0.2 . . . . . A 84 ILE CA . 25816 1 745 . 1 1 84 84 ILE CB C 13 38.424 0.2 . . . . . A 84 ILE CB . 25816 1 746 . 1 1 84 84 ILE N N 15 126.985 0.2 . . . . . A 84 ILE N . 25816 1 747 . 1 1 85 85 PRO HA H 1 4.945 0.02 . . . . . A 85 PRO HA . 25816 1 748 . 1 1 85 85 PRO HB2 H 1 1.834 0.02 . . . . . A 85 PRO HB2 . 25816 1 749 . 1 1 85 85 PRO HB3 H 1 2.231 0.02 . . . . . A 85 PRO HB3 . 25816 1 750 . 1 1 85 85 PRO HG2 H 1 1.908 0.02 . . . . . A 85 PRO HG2 . 25816 1 751 . 1 1 85 85 PRO HG3 H 1 1.908 0.02 . . . . . A 85 PRO HG3 . 25816 1 752 . 1 1 85 85 PRO CA C 13 61.554 0.2 . . . . . A 85 PRO CA . 25816 1 753 . 1 1 85 85 PRO CB C 13 31.427 0.2 . . . . . A 85 PRO CB . 25816 1 754 . 1 1 85 85 PRO CG C 13 26.059 0.2 . . . . . A 85 PRO CG . 25816 1 755 . 1 1 85 85 PRO CD C 13 50.560 0.2 . . . . . A 85 PRO CD . 25816 1 756 . 1 1 86 86 VAL H H 1 9.033 0.02 . . . . . A 86 VAL H . 25816 1 757 . 1 1 86 86 VAL HA H 1 4.849 0.02 . . . . . A 86 VAL HA . 25816 1 758 . 1 1 86 86 VAL HB H 1 2.033 0.02 . . . . . A 86 VAL HB . 25816 1 759 . 1 1 86 86 VAL HG11 H 1 1.031 0.02 . . . . . A 86 VAL HG11 . 25816 1 760 . 1 1 86 86 VAL HG12 H 1 1.031 0.02 . . . . . A 86 VAL HG12 . 25816 1 761 . 1 1 86 86 VAL HG13 H 1 1.031 0.02 . . . . . A 86 VAL HG13 . 25816 1 762 . 1 1 86 86 VAL HG21 H 1 1.031 0.02 . . . . . A 86 VAL HG21 . 25816 1 763 . 1 1 86 86 VAL HG22 H 1 1.031 0.02 . . . . . A 86 VAL HG22 . 25816 1 764 . 1 1 86 86 VAL HG23 H 1 1.031 0.02 . . . . . A 86 VAL HG23 . 25816 1 765 . 1 1 86 86 VAL CA C 13 59.773 0.2 . . . . . A 86 VAL CA . 25816 1 766 . 1 1 86 86 VAL CB C 13 34.644 0.2 . . . . . A 86 VAL CB . 25816 1 767 . 1 1 86 86 VAL N N 15 123.811 0.2 . . . . . A 86 VAL N . 25816 1 768 . 1 1 87 87 VAL H H 1 9.132 0.02 . . . . . A 87 VAL H . 25816 1 769 . 1 1 87 87 VAL HA H 1 4.972 0.02 . . . . . A 87 VAL HA . 25816 1 770 . 1 1 87 87 VAL HB H 1 1.756 0.02 . . . . . A 87 VAL HB . 25816 1 771 . 1 1 87 87 VAL HG11 H 1 0.856 0.02 . . . . . A 87 VAL HG11 . 25816 1 772 . 1 1 87 87 VAL HG12 H 1 0.856 0.02 . . . . . A 87 VAL HG12 . 25816 1 773 . 1 1 87 87 VAL HG13 H 1 0.856 0.02 . . . . . A 87 VAL HG13 . 25816 1 774 . 1 1 87 87 VAL HG21 H 1 0.856 0.02 . . . . . A 87 VAL HG21 . 25816 1 775 . 1 1 87 87 VAL HG22 H 1 0.856 0.02 . . . . . A 87 VAL HG22 . 25816 1 776 . 1 1 87 87 VAL HG23 H 1 0.856 0.02 . . . . . A 87 VAL HG23 . 25816 1 777 . 1 1 87 87 VAL CA C 13 60.693 0.2 . . . . . A 87 VAL CA . 25816 1 778 . 1 1 87 87 VAL CB C 13 32.418 0.2 . . . . . A 87 VAL CB . 25816 1 779 . 1 1 87 87 VAL CG1 C 13 19.749 0.2 . . . . . A 87 VAL CG1 . 25816 1 780 . 1 1 87 87 VAL CG2 C 13 19.749 0.2 . . . . . A 87 VAL CG2 . 25816 1 781 . 1 1 87 87 VAL N N 15 127.839 0.2 . . . . . A 87 VAL N . 25816 1 782 . 1 1 88 88 PHE H H 1 9.248 0.02 . . . . . A 88 PHE H . 25816 1 783 . 1 1 88 88 PHE HA H 1 5.618 0.02 . . . . . A 88 PHE HA . 25816 1 784 . 1 1 88 88 PHE HB2 H 1 2.870 0.02 . . . . . A 88 PHE HB2 . 25816 1 785 . 1 1 88 88 PHE HB3 H 1 2.629 0.02 . . . . . A 88 PHE HB3 . 25816 1 786 . 1 1 88 88 PHE CA C 13 54.211 0.2 . . . . . A 88 PHE CA . 25816 1 787 . 1 1 88 88 PHE CB C 13 41.002 0.2 . . . . . A 88 PHE CB . 25816 1 788 . 1 1 88 88 PHE N N 15 127.301 0.2 . . . . . A 88 PHE N . 25816 1 789 . 1 1 89 89 SER H H 1 9.689 0.02 . . . . . A 89 SER H . 25816 1 790 . 1 1 89 89 SER HA H 1 5.336 0.02 . . . . . A 89 SER HA . 25816 1 791 . 1 1 89 89 SER HB2 H 1 3.531 0.02 . . . . . A 89 SER HB2 . 25816 1 792 . 1 1 89 89 SER HB3 H 1 3.314 0.02 . . . . . A 89 SER HB3 . 25816 1 793 . 1 1 89 89 SER CA C 13 54.452 0.2 . . . . . A 89 SER CA . 25816 1 794 . 1 1 89 89 SER CB C 13 64.474 0.2 . . . . . A 89 SER CB . 25816 1 795 . 1 1 89 89 SER N N 15 113.734 0.2 . . . . . A 89 SER N . 25816 1 796 . 1 1 90 90 ARG H H 1 8.561 0.02 . . . . . A 90 ARG H . 25816 1 797 . 1 1 90 90 ARG HA H 1 4.747 0.02 . . . . . A 90 ARG HA . 25816 1 798 . 1 1 90 90 ARG HB2 H 1 1.952 0.02 . . . . . A 90 ARG HB2 . 25816 1 799 . 1 1 90 90 ARG HB3 H 1 1.700 0.02 . . . . . A 90 ARG HB3 . 25816 1 800 . 1 1 90 90 ARG HG2 H 1 1.609 0.02 . . . . . A 90 ARG HG2 . 25816 1 801 . 1 1 90 90 ARG HG3 H 1 1.609 0.02 . . . . . A 90 ARG HG3 . 25816 1 802 . 1 1 90 90 ARG CA C 13 54.122 0.2 . . . . . A 90 ARG CA . 25816 1 803 . 1 1 90 90 ARG CB C 13 32.336 0.2 . . . . . A 90 ARG CB . 25816 1 804 . 1 1 90 90 ARG CG C 13 24.204 0.2 . . . . . A 90 ARG CG . 25816 1 805 . 1 1 90 90 ARG CD C 13 42.490 0.2 . . . . . A 90 ARG CD . 25816 1 806 . 1 1 90 90 ARG N N 15 128.114 0.2 . . . . . A 90 ARG N . 25816 1 807 . 1 1 91 91 ASP H H 1 9.461 0.02 . . . . . A 91 ASP H . 25816 1 808 . 1 1 91 91 ASP HA H 1 4.269 0.02 . . . . . A 91 ASP HA . 25816 1 809 . 1 1 91 91 ASP HB2 H 1 2.939 0.02 . . . . . A 91 ASP HB2 . 25816 1 810 . 1 1 91 91 ASP HB3 H 1 2.575 0.02 . . . . . A 91 ASP HB3 . 25816 1 811 . 1 1 91 91 ASP CA C 13 54.501 0.2 . . . . . A 91 ASP CA . 25816 1 812 . 1 1 91 91 ASP CB C 13 39.081 0.2 . . . . . A 91 ASP CB . 25816 1 813 . 1 1 91 91 ASP N N 15 129.790 0.2 . . . . . A 91 ASP N . 25816 1 814 . 1 1 92 92 GLY H H 1 8.391 0.02 . . . . . A 92 GLY H . 25816 1 815 . 1 1 92 92 GLY HA2 H 1 4.148 0.02 . . . . . A 92 GLY HA2 . 25816 1 816 . 1 1 92 92 GLY HA3 H 1 3.417 0.02 . . . . . A 92 GLY HA3 . 25816 1 817 . 1 1 92 92 GLY CA C 13 44.305 0.2 . . . . . A 92 GLY CA . 25816 1 818 . 1 1 92 92 GLY N N 15 102.404 0.2 . . . . . A 92 GLY N . 25816 1 819 . 1 1 93 93 VAL H H 1 7.682 0.02 . . . . . A 93 VAL H . 25816 1 820 . 1 1 93 93 VAL HA H 1 4.002 0.02 . . . . . A 93 VAL HA . 25816 1 821 . 1 1 93 93 VAL HB H 1 2.079 0.02 . . . . . A 93 VAL HB . 25816 1 822 . 1 1 93 93 VAL HG11 H 1 0.853 0.02 . . . . . A 93 VAL HG11 . 25816 1 823 . 1 1 93 93 VAL HG12 H 1 0.853 0.02 . . . . . A 93 VAL HG12 . 25816 1 824 . 1 1 93 93 VAL HG13 H 1 0.853 0.02 . . . . . A 93 VAL HG13 . 25816 1 825 . 1 1 93 93 VAL HG21 H 1 0.853 0.02 . . . . . A 93 VAL HG21 . 25816 1 826 . 1 1 93 93 VAL HG22 H 1 0.853 0.02 . . . . . A 93 VAL HG22 . 25816 1 827 . 1 1 93 93 VAL HG23 H 1 0.853 0.02 . . . . . A 93 VAL HG23 . 25816 1 828 . 1 1 93 93 VAL CA C 13 61.266 0.2 . . . . . A 93 VAL CA . 25816 1 829 . 1 1 93 93 VAL CB C 13 31.818 0.2 . . . . . A 93 VAL CB . 25816 1 830 . 1 1 93 93 VAL CG1 C 13 20.000 0.2 . . . . . A 93 VAL CG1 . 25816 1 831 . 1 1 93 93 VAL CG2 C 13 20.000 0.2 . . . . . A 93 VAL CG2 . 25816 1 832 . 1 1 93 93 VAL N N 15 123.090 0.2 . . . . . A 93 VAL N . 25816 1 833 . 1 1 94 94 VAL H H 1 8.400 0.02 . . . . . A 94 VAL H . 25816 1 834 . 1 1 94 94 VAL HA H 1 4.134 0.02 . . . . . A 94 VAL HA . 25816 1 835 . 1 1 94 94 VAL HB H 1 1.757 0.02 . . . . . A 94 VAL HB . 25816 1 836 . 1 1 94 94 VAL HG11 H 1 0.793 0.02 . . . . . A 94 VAL HG11 . 25816 1 837 . 1 1 94 94 VAL HG12 H 1 0.793 0.02 . . . . . A 94 VAL HG12 . 25816 1 838 . 1 1 94 94 VAL HG13 H 1 0.793 0.02 . . . . . A 94 VAL HG13 . 25816 1 839 . 1 1 94 94 VAL HG21 H 1 0.698 0.02 . . . . . A 94 VAL HG21 . 25816 1 840 . 1 1 94 94 VAL HG22 H 1 0.698 0.02 . . . . . A 94 VAL HG22 . 25816 1 841 . 1 1 94 94 VAL HG23 H 1 0.698 0.02 . . . . . A 94 VAL HG23 . 25816 1 842 . 1 1 94 94 VAL CA C 13 62.340 0.2 . . . . . A 94 VAL CA . 25816 1 843 . 1 1 94 94 VAL CB C 13 30.116 0.2 . . . . . A 94 VAL CB . 25816 1 844 . 1 1 94 94 VAL CG1 C 13 20.731 0.2 . . . . . A 94 VAL CG1 . 25816 1 845 . 1 1 94 94 VAL CG2 C 13 20.731 0.2 . . . . . A 94 VAL CG2 . 25816 1 846 . 1 1 94 94 VAL N N 15 128.414 0.2 . . . . . A 94 VAL N . 25816 1 847 . 1 1 95 95 MET H H 1 9.100 0.02 . . . . . A 95 MET H . 25816 1 848 . 1 1 95 95 MET HA H 1 4.352 0.02 . . . . . A 95 MET HA . 25816 1 849 . 1 1 95 95 MET HB2 H 1 1.570 0.02 . . . . . A 95 MET HB2 . 25816 1 850 . 1 1 95 95 MET HG2 H 1 2.183 0.02 . . . . . A 95 MET HG2 . 25816 1 851 . 1 1 95 95 MET HG3 H 1 2.030 0.02 . . . . . A 95 MET HG3 . 25816 1 852 . 1 1 95 95 MET CA C 13 53.674 0.2 . . . . . A 95 MET CA . 25816 1 853 . 1 1 95 95 MET CB C 13 36.104 0.2 . . . . . A 95 MET CB . 25816 1 854 . 1 1 95 95 MET CG C 13 30.965 0.2 . . . . . A 95 MET CG . 25816 1 855 . 1 1 95 95 MET N N 15 129.196 0.2 . . . . . A 95 MET N . 25816 1 856 . 1 1 96 96 SER H H 1 8.004 0.02 . . . . . A 96 SER H . 25816 1 857 . 1 1 96 96 SER HA H 1 5.469 0.02 . . . . . A 96 SER HA . 25816 1 858 . 1 1 96 96 SER HB2 H 1 3.765 0.02 . . . . . A 96 SER HB2 . 25816 1 859 . 1 1 96 96 SER HB3 H 1 3.765 0.02 . . . . . A 96 SER HB3 . 25816 1 860 . 1 1 96 96 SER CA C 13 55.830 0.2 . . . . . A 96 SER CA . 25816 1 861 . 1 1 96 96 SER CB C 13 65.471 0.2 . . . . . A 96 SER CB . 25816 1 862 . 1 1 96 96 SER N N 15 111.540 0.2 . . . . . A 96 SER N . 25816 1 863 . 1 1 97 97 ALA H H 1 9.145 0.02 . . . . . A 97 ALA H . 25816 1 864 . 1 1 97 97 ALA HA H 1 4.788 0.02 . . . . . A 97 ALA HA . 25816 1 865 . 1 1 97 97 ALA HB1 H 1 1.443 0.02 . . . . . A 97 ALA HB1 . 25816 1 866 . 1 1 97 97 ALA HB2 H 1 1.443 0.02 . . . . . A 97 ALA HB2 . 25816 1 867 . 1 1 97 97 ALA HB3 H 1 1.443 0.02 . . . . . A 97 ALA HB3 . 25816 1 868 . 1 1 97 97 ALA CA C 13 50.399 0.2 . . . . . A 97 ALA CA . 25816 1 869 . 1 1 97 97 ALA CB C 13 22.544 0.2 . . . . . A 97 ALA CB . 25816 1 870 . 1 1 97 97 ALA N N 15 124.079 0.2 . . . . . A 97 ALA N . 25816 1 871 . 1 1 98 98 THR H H 1 8.754 0.02 . . . . . A 98 THR H . 25816 1 872 . 1 1 98 98 THR HA H 1 4.823 0.02 . . . . . A 98 THR HA . 25816 1 873 . 1 1 98 98 THR HB H 1 3.811 0.02 . . . . . A 98 THR HB . 25816 1 874 . 1 1 98 98 THR HG21 H 1 0.874 0.02 . . . . . A 98 THR HG21 . 25816 1 875 . 1 1 98 98 THR HG22 H 1 0.874 0.02 . . . . . A 98 THR HG22 . 25816 1 876 . 1 1 98 98 THR HG23 H 1 0.874 0.02 . . . . . A 98 THR HG23 . 25816 1 877 . 1 1 98 98 THR CA C 13 61.053 0.2 . . . . . A 98 THR CA . 25816 1 878 . 1 1 98 98 THR CB C 13 69.913 0.2 . . . . . A 98 THR CB . 25816 1 879 . 1 1 98 98 THR CG2 C 13 20.828 0.2 . . . . . A 98 THR CG2 . 25816 1 880 . 1 1 98 98 THR N N 15 117.342 0.2 . . . . . A 98 THR N . 25816 1 881 . 1 1 99 99 ILE H H 1 8.868 0.02 . . . . . A 99 ILE H . 25816 1 882 . 1 1 99 99 ILE HA H 1 4.111 0.02 . . . . . A 99 ILE HA . 25816 1 883 . 1 1 99 99 ILE HB H 1 1.547 0.02 . . . . . A 99 ILE HB . 25816 1 884 . 1 1 99 99 ILE HG21 H 1 0.777 0.02 . . . . . A 99 ILE HG21 . 25816 1 885 . 1 1 99 99 ILE HG22 H 1 0.777 0.02 . . . . . A 99 ILE HG22 . 25816 1 886 . 1 1 99 99 ILE HG23 H 1 0.777 0.02 . . . . . A 99 ILE HG23 . 25816 1 887 . 1 1 99 99 ILE CA C 13 59.369 0.2 . . . . . A 99 ILE CA . 25816 1 888 . 1 1 99 99 ILE CB C 13 39.691 0.2 . . . . . A 99 ILE CB . 25816 1 889 . 1 1 99 99 ILE CG1 C 13 26.794 0.2 . . . . . A 99 ILE CG1 . 25816 1 890 . 1 1 99 99 ILE CG2 C 13 16.164 0.2 . . . . . A 99 ILE CG2 . 25816 1 891 . 1 1 99 99 ILE CD1 C 13 13.819 0.2 . . . . . A 99 ILE CD1 . 25816 1 892 . 1 1 99 99 ILE N N 15 125.689 0.2 . . . . . A 99 ILE N . 25816 1 893 . 1 1 100 100 VAL H H 1 8.818 0.02 . . . . . A 100 VAL H . 25816 1 894 . 1 1 100 100 VAL HA H 1 4.666 0.02 . . . . . A 100 VAL HA . 25816 1 895 . 1 1 100 100 VAL HB H 1 1.953 0.02 . . . . . A 100 VAL HB . 25816 1 896 . 1 1 100 100 VAL HG11 H 1 0.792 0.02 . . . . . A 100 VAL HG11 . 25816 1 897 . 1 1 100 100 VAL HG12 H 1 0.792 0.02 . . . . . A 100 VAL HG12 . 25816 1 898 . 1 1 100 100 VAL HG13 H 1 0.792 0.02 . . . . . A 100 VAL HG13 . 25816 1 899 . 1 1 100 100 VAL HG21 H 1 0.792 0.02 . . . . . A 100 VAL HG21 . 25816 1 900 . 1 1 100 100 VAL HG22 H 1 0.792 0.02 . . . . . A 100 VAL HG22 . 25816 1 901 . 1 1 100 100 VAL HG23 H 1 0.792 0.02 . . . . . A 100 VAL HG23 . 25816 1 902 . 1 1 100 100 VAL CA C 13 60.867 0.2 . . . . . A 100 VAL CA . 25816 1 903 . 1 1 100 100 VAL CB C 13 29.610 0.2 . . . . . A 100 VAL CB . 25816 1 904 . 1 1 100 100 VAL CG1 C 13 19.562 0.2 . . . . . A 100 VAL CG1 . 25816 1 905 . 1 1 100 100 VAL CG2 C 13 19.562 0.2 . . . . . A 100 VAL CG2 . 25816 1 906 . 1 1 100 100 VAL N N 15 129.871 0.2 . . . . . A 100 VAL N . 25816 1 907 . 1 1 101 101 VAL H H 1 8.795 0.02 . . . . . A 101 VAL H . 25816 1 908 . 1 1 101 101 VAL HA H 1 3.369 0.02 . . . . . A 101 VAL HA . 25816 1 909 . 1 1 101 101 VAL HB H 1 2.417 0.02 . . . . . A 101 VAL HB . 25816 1 910 . 1 1 101 101 VAL HG11 H 1 1.079 0.02 . . . . . A 101 VAL HG11 . 25816 1 911 . 1 1 101 101 VAL HG12 H 1 1.079 0.02 . . . . . A 101 VAL HG12 . 25816 1 912 . 1 1 101 101 VAL HG13 H 1 1.079 0.02 . . . . . A 101 VAL HG13 . 25816 1 913 . 1 1 101 101 VAL HG21 H 1 1.079 0.02 . . . . . A 101 VAL HG21 . 25816 1 914 . 1 1 101 101 VAL HG22 H 1 1.079 0.02 . . . . . A 101 VAL HG22 . 25816 1 915 . 1 1 101 101 VAL HG23 H 1 1.079 0.02 . . . . . A 101 VAL HG23 . 25816 1 916 . 1 1 101 101 VAL CA C 13 64.327 0.2 . . . . . A 101 VAL CA . 25816 1 917 . 1 1 101 101 VAL CB C 13 30.974 0.2 . . . . . A 101 VAL CB . 25816 1 918 . 1 1 101 101 VAL CG1 C 13 22.374 0.2 . . . . . A 101 VAL CG1 . 25816 1 919 . 1 1 101 101 VAL CG2 C 13 22.374 0.2 . . . . . A 101 VAL CG2 . 25816 1 920 . 1 1 101 101 VAL N N 15 128.299 0.2 . . . . . A 101 VAL N . 25816 1 921 . 1 1 102 102 GLY H H 1 8.393 0.02 . . . . . A 102 GLY H . 25816 1 922 . 1 1 102 102 GLY HA2 H 1 4.722 0.02 . . . . . A 102 GLY HA2 . 25816 1 923 . 1 1 102 102 GLY HA3 H 1 3.910 0.02 . . . . . A 102 GLY HA3 . 25816 1 924 . 1 1 102 102 GLY CA C 13 43.680 0.2 . . . . . A 102 GLY CA . 25816 1 925 . 1 1 102 102 GLY N N 15 115.466 0.2 . . . . . A 102 GLY N . 25816 1 926 . 1 1 103 103 GLU H H 1 8.386 0.02 . . . . . A 103 GLU H . 25816 1 927 . 1 1 103 103 GLU HA H 1 4.955 0.02 . . . . . A 103 GLU HA . 25816 1 928 . 1 1 103 103 GLU HB2 H 1 1.831 0.02 . . . . . A 103 GLU HB2 . 25816 1 929 . 1 1 103 103 GLU HB3 H 1 1.831 0.02 . . . . . A 103 GLU HB3 . 25816 1 930 . 1 1 103 103 GLU HG2 H 1 2.110 0.02 . . . . . A 103 GLU HG2 . 25816 1 931 . 1 1 103 103 GLU HG3 H 1 2.110 0.02 . . . . . A 103 GLU HG3 . 25816 1 932 . 1 1 103 103 GLU CA C 13 54.746 0.2 . . . . . A 103 GLU CA . 25816 1 933 . 1 1 103 103 GLU CB C 13 32.201 0.2 . . . . . A 103 GLU CB . 25816 1 934 . 1 1 103 103 GLU CG C 13 35.405 0.2 . . . . . A 103 GLU CG . 25816 1 935 . 1 1 103 103 GLU N N 15 119.459 0.2 . . . . . A 103 GLU N . 25816 1 936 . 1 1 104 104 LEU H H 1 8.735 0.02 . . . . . A 104 LEU H . 25816 1 937 . 1 1 104 104 LEU HA H 1 4.700 0.02 . . . . . A 104 LEU HA . 25816 1 938 . 1 1 104 104 LEU HD11 H 1 0.667 0.02 . . . . . A 104 LEU HD11 . 25816 1 939 . 1 1 104 104 LEU HD12 H 1 0.667 0.02 . . . . . A 104 LEU HD12 . 25816 1 940 . 1 1 104 104 LEU HD13 H 1 0.667 0.02 . . . . . A 104 LEU HD13 . 25816 1 941 . 1 1 104 104 LEU HD21 H 1 0.667 0.02 . . . . . A 104 LEU HD21 . 25816 1 942 . 1 1 104 104 LEU HD22 H 1 0.667 0.02 . . . . . A 104 LEU HD22 . 25816 1 943 . 1 1 104 104 LEU HD23 H 1 0.667 0.02 . . . . . A 104 LEU HD23 . 25816 1 944 . 1 1 104 104 LEU CA C 13 52.567 0.2 . . . . . A 104 LEU CA . 25816 1 945 . 1 1 104 104 LEU CB C 13 44.058 0.2 . . . . . A 104 LEU CB . 25816 1 946 . 1 1 104 104 LEU N N 15 123.881 0.2 . . . . . A 104 LEU N . 25816 1 947 . 1 1 105 105 GLU H H 1 8.568 0.02 . . . . . A 105 GLU H . 25816 1 948 . 1 1 105 105 GLU CA C 13 55.367 0.2 . . . . . A 105 GLU CA . 25816 1 949 . 1 1 105 105 GLU CB C 13 29.846 0.2 . . . . . A 105 GLU CB . 25816 1 950 . 1 1 105 105 GLU N N 15 122.559 0.2 . . . . . A 105 GLU N . 25816 1 stop_ save_