data_34081 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34081 _Entry.Title ; Solution structure of TDP-43 (residues 1-102) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-12-22 _Entry.Accession_date 2016-12-22 _Entry.Last_release_date 2017-05-31 _Entry.Original_release_date 2017-05-31 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . 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 M. Mompean M. . . . 34081 2 V. Romano V. . . . 34081 3 D. Pantoja-Uceda D. . . . 34081 4 C. Stuani C. . . . 34081 5 F. Baralle F. E. . . 34081 6 D. Laurents D. V. . . 34081 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA binding protein' . 34081 'STRUCTURE FROM CYANA 3.97' . 34081 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34081 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 1 34081 '1H chemical shifts' 584 34081 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 . . 2017-11-15 2016-12-22 update BMRB 'update entry citation' 34081 1 . . 2017-06-02 2016-12-22 original author 'original release' 34081 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5MRG 'BMRB Entry Tracking System' 34081 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34081 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1074/jbc.M117.775965 _Citation.PubMed_ID 28566288 _Citation.Full_citation . _Citation.Title ; Point mutations in transactive response DNA-binding protein 43 (TDP-43)'s N-terminal domain compromise its stability, dimerization and functions ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 292 _Citation.Journal_issue 28 _Citation.Journal_ASTM JBCHA3 _Citation.Journal_ISSN 1083-351X _Citation.Journal_CSD 0071 _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 11992 _Citation.Page_last 12006 _Citation.Year 2017 _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 M. Mompean M. . . . 34081 1 2 V. Romano V. . . . 34081 1 3 D. Pantoja-Uceda D. . . . 34081 1 4 C. Stuani C. . . . 34081 1 5 F. Baralle F. E. . . 34081 1 6 E. Buratti E. . . . 34081 1 7 D. Laurents D. V. . . 34081 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34081 _Assembly.ID 1 _Assembly.Name 'TAR DNA-binding protein 43' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34081 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34081 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MAGSHHHHHHGSMSEYIRVT EDENDEPIEIPSEDDGTVLL STVTAQFPGACGLRYRNPVS QCMRGVRLVEGILHAPDAGW GNLVYVVNYPKDNKRKMDET DASSAVKVKRAVQK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'N-terminal domain, UNP residues 1-102' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12674.207 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID TDP-43 na 34081 1 stop_ 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 . MET . 34081 1 2 . ALA . 34081 1 3 . GLY . 34081 1 4 . SER . 34081 1 5 . HIS . 34081 1 6 . HIS . 34081 1 7 . HIS . 34081 1 8 . HIS . 34081 1 9 . HIS . 34081 1 10 . HIS . 34081 1 11 . GLY . 34081 1 12 . SER . 34081 1 13 . MET . 34081 1 14 . SER . 34081 1 15 . GLU . 34081 1 16 . TYR . 34081 1 17 . ILE . 34081 1 18 . ARG . 34081 1 19 . VAL . 34081 1 20 . THR . 34081 1 21 . GLU . 34081 1 22 . ASP . 34081 1 23 . GLU . 34081 1 24 . ASN . 34081 1 25 . ASP . 34081 1 26 . GLU . 34081 1 27 . PRO . 34081 1 28 . ILE . 34081 1 29 . GLU . 34081 1 30 . ILE . 34081 1 31 . PRO . 34081 1 32 . SER . 34081 1 33 . GLU . 34081 1 34 . ASP . 34081 1 35 . ASP . 34081 1 36 . GLY . 34081 1 37 . THR . 34081 1 38 . VAL . 34081 1 39 . LEU . 34081 1 40 . LEU . 34081 1 41 . SER . 34081 1 42 . THR . 34081 1 43 . VAL . 34081 1 44 . THR . 34081 1 45 . ALA . 34081 1 46 . GLN . 34081 1 47 . PHE . 34081 1 48 . PRO . 34081 1 49 . GLY . 34081 1 50 . ALA . 34081 1 51 . CYS . 34081 1 52 . GLY . 34081 1 53 . LEU . 34081 1 54 . ARG . 34081 1 55 . TYR . 34081 1 56 . ARG . 34081 1 57 . ASN . 34081 1 58 . PRO . 34081 1 59 . VAL . 34081 1 60 . SER . 34081 1 61 . GLN . 34081 1 62 . CYS . 34081 1 63 . MET . 34081 1 64 . ARG . 34081 1 65 . GLY . 34081 1 66 . VAL . 34081 1 67 . ARG . 34081 1 68 . LEU . 34081 1 69 . VAL . 34081 1 70 . GLU . 34081 1 71 . GLY . 34081 1 72 . ILE . 34081 1 73 . LEU . 34081 1 74 . HIS . 34081 1 75 . ALA . 34081 1 76 . PRO . 34081 1 77 . ASP . 34081 1 78 . ALA . 34081 1 79 . GLY . 34081 1 80 . TRP . 34081 1 81 . GLY . 34081 1 82 . ASN . 34081 1 83 . LEU . 34081 1 84 . VAL . 34081 1 85 . TYR . 34081 1 86 . VAL . 34081 1 87 . VAL . 34081 1 88 . ASN . 34081 1 89 . TYR . 34081 1 90 . PRO . 34081 1 91 . LYS . 34081 1 92 . ASP . 34081 1 93 . ASN . 34081 1 94 . LYS . 34081 1 95 . ARG . 34081 1 96 . LYS . 34081 1 97 . MET . 34081 1 98 . ASP . 34081 1 99 . GLU . 34081 1 100 . THR . 34081 1 101 . ASP . 34081 1 102 . ALA . 34081 1 103 . SER . 34081 1 104 . SER . 34081 1 105 . ALA . 34081 1 106 . VAL . 34081 1 107 . LYS . 34081 1 108 . VAL . 34081 1 109 . LYS . 34081 1 110 . ARG . 34081 1 111 . ALA . 34081 1 112 . VAL . 34081 1 113 . GLN . 34081 1 114 . LYS . 34081 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 34081 1 . ALA 2 2 34081 1 . GLY 3 3 34081 1 . SER 4 4 34081 1 . HIS 5 5 34081 1 . HIS 6 6 34081 1 . HIS 7 7 34081 1 . HIS 8 8 34081 1 . HIS 9 9 34081 1 . HIS 10 10 34081 1 . GLY 11 11 34081 1 . SER 12 12 34081 1 . MET 13 13 34081 1 . SER 14 14 34081 1 . GLU 15 15 34081 1 . TYR 16 16 34081 1 . ILE 17 17 34081 1 . ARG 18 18 34081 1 . VAL 19 19 34081 1 . THR 20 20 34081 1 . GLU 21 21 34081 1 . ASP 22 22 34081 1 . GLU 23 23 34081 1 . ASN 24 24 34081 1 . ASP 25 25 34081 1 . GLU 26 26 34081 1 . PRO 27 27 34081 1 . ILE 28 28 34081 1 . GLU 29 29 34081 1 . ILE 30 30 34081 1 . PRO 31 31 34081 1 . SER 32 32 34081 1 . GLU 33 33 34081 1 . ASP 34 34 34081 1 . ASP 35 35 34081 1 . GLY 36 36 34081 1 . THR 37 37 34081 1 . VAL 38 38 34081 1 . LEU 39 39 34081 1 . LEU 40 40 34081 1 . SER 41 41 34081 1 . THR 42 42 34081 1 . VAL 43 43 34081 1 . THR 44 44 34081 1 . ALA 45 45 34081 1 . GLN 46 46 34081 1 . PHE 47 47 34081 1 . PRO 48 48 34081 1 . GLY 49 49 34081 1 . ALA 50 50 34081 1 . CYS 51 51 34081 1 . GLY 52 52 34081 1 . LEU 53 53 34081 1 . ARG 54 54 34081 1 . TYR 55 55 34081 1 . ARG 56 56 34081 1 . ASN 57 57 34081 1 . PRO 58 58 34081 1 . VAL 59 59 34081 1 . SER 60 60 34081 1 . GLN 61 61 34081 1 . CYS 62 62 34081 1 . MET 63 63 34081 1 . ARG 64 64 34081 1 . GLY 65 65 34081 1 . VAL 66 66 34081 1 . ARG 67 67 34081 1 . LEU 68 68 34081 1 . VAL 69 69 34081 1 . GLU 70 70 34081 1 . GLY 71 71 34081 1 . ILE 72 72 34081 1 . LEU 73 73 34081 1 . HIS 74 74 34081 1 . ALA 75 75 34081 1 . PRO 76 76 34081 1 . ASP 77 77 34081 1 . ALA 78 78 34081 1 . GLY 79 79 34081 1 . TRP 80 80 34081 1 . GLY 81 81 34081 1 . ASN 82 82 34081 1 . LEU 83 83 34081 1 . VAL 84 84 34081 1 . TYR 85 85 34081 1 . VAL 86 86 34081 1 . VAL 87 87 34081 1 . ASN 88 88 34081 1 . TYR 89 89 34081 1 . PRO 90 90 34081 1 . LYS 91 91 34081 1 . ASP 92 92 34081 1 . ASN 93 93 34081 1 . LYS 94 94 34081 1 . ARG 95 95 34081 1 . LYS 96 96 34081 1 . MET 97 97 34081 1 . ASP 98 98 34081 1 . GLU 99 99 34081 1 . THR 100 100 34081 1 . ASP 101 101 34081 1 . ALA 102 102 34081 1 . SER 103 103 34081 1 . SER 104 104 34081 1 . ALA 105 105 34081 1 . VAL 106 106 34081 1 . LYS 107 107 34081 1 . VAL 108 108 34081 1 . LYS 109 109 34081 1 . ARG 110 110 34081 1 . ALA 111 111 34081 1 . VAL 112 112 34081 1 . GLN 113 113 34081 1 . LYS 114 114 34081 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 34081 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'TARDBP, TDP43' . 34081 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 34081 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34081 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34081 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.35 mM 13C15N TDP-43(1-102), 90% H2O/10% D2O' _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 TDP-43(1-102) '[U-13C; U-15N]' . . 1 $entity_1 . . 0.35 . . mM . . . . 34081 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 34081 _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 3.9 . pH 34081 1 pressure 1 . atm 34081 1 temperature 298 . K 34081 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34081 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 3.97 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34081 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34081 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34081 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 34081 _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 NMR_spectrometer_1 Bruker AvanceII . 800 . . . 34081 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 34081 _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-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34081 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34081 _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 external direct 0.25144953 . . . . . 34081 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . 34081 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34081 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 34081 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 SER H H 1 8.179 0.001 . 1 . . . . A 4 SER H . 34081 1 2 . 1 1 4 4 SER HA H 1 4.328 0.000 . 1 . . . . A 4 SER HA . 34081 1 3 . 1 1 4 4 SER HB2 H 1 3.933 0.003 . 2 . . . . A 4 SER HB2 . 34081 1 4 . 1 1 4 4 SER HB3 H 1 3.702 0.000 . 2 . . . . A 4 SER HB3 . 34081 1 5 . 1 1 10 10 HIS HA H 1 4.611 0.000 . 1 . . . . A 10 HIS HA . 34081 1 6 . 1 1 10 10 HIS HB2 H 1 3.119 0.003 . 2 . . . . A 10 HIS HB2 . 34081 1 7 . 1 1 11 11 GLY H H 1 8.553 0.003 . 1 . . . . A 11 GLY H . 34081 1 8 . 1 1 11 11 GLY HA2 H 1 3.926 0.000 . 2 . . . . A 11 GLY HA2 . 34081 1 9 . 1 1 11 11 GLY HA3 H 1 3.864 0.000 . 2 . . . . A 11 GLY HA3 . 34081 1 10 . 1 1 12 12 SER H H 1 8.327 0.001 . 1 . . . . A 12 SER H . 34081 1 11 . 1 1 12 12 SER HA H 1 4.418 0.005 . 1 . . . . A 12 SER HA . 34081 1 12 . 1 1 12 12 SER HB2 H 1 3.872 0.000 . 2 . . . . A 12 SER HB2 . 34081 1 13 . 1 1 12 12 SER HB3 H 1 3.829 0.000 . 2 . . . . A 12 SER HB3 . 34081 1 14 . 1 1 13 13 MET H H 1 8.389 0.001 . 1 . . . . A 13 MET H . 34081 1 15 . 1 1 13 13 MET HA H 1 4.496 0.005 . 1 . . . . A 13 MET HA . 34081 1 16 . 1 1 13 13 MET HB2 H 1 2.096 0.001 . 2 . . . . A 13 MET HB2 . 34081 1 17 . 1 1 13 13 MET HB3 H 1 1.973 0.000 . 2 . . . . A 13 MET HB3 . 34081 1 18 . 1 1 13 13 MET HG2 H 1 2.553 0.001 . 2 . . . . A 13 MET HG2 . 34081 1 19 . 1 1 13 13 MET HG3 H 1 2.553 0.001 . 2 . . . . A 13 MET HG3 . 34081 1 20 . 1 1 14 14 SER H H 1 8.190 0.002 . 1 . . . . A 14 SER H . 34081 1 21 . 1 1 14 14 SER HB2 H 1 3.738 0.002 . 2 . . . . A 14 SER HB2 . 34081 1 22 . 1 1 14 14 SER HB3 H 1 3.738 0.002 . 2 . . . . A 14 SER HB3 . 34081 1 23 . 1 1 15 15 GLU H H 1 8.326 0.002 . 1 . . . . A 15 GLU H . 34081 1 24 . 1 1 15 15 GLU HB2 H 1 1.921 0.000 . 2 . . . . A 15 GLU HB2 . 34081 1 25 . 1 1 15 15 GLU HB3 H 1 1.932 0.002 . 2 . . . . A 15 GLU HB3 . 34081 1 26 . 1 1 15 15 GLU HG2 H 1 2.014 0.001 . 2 . . . . A 15 GLU HG2 . 34081 1 27 . 1 1 15 15 GLU HG3 H 1 2.330 0.005 . 2 . . . . A 15 GLU HG3 . 34081 1 28 . 1 1 16 16 TYR H H 1 7.859 0.003 . 1 . . . . A 16 TYR H . 34081 1 29 . 1 1 16 16 TYR HA H 1 5.041 0.001 . 1 . . . . A 16 TYR HA . 34081 1 30 . 1 1 16 16 TYR HB2 H 1 2.650 0.001 . 2 . . . . A 16 TYR HB2 . 34081 1 31 . 1 1 16 16 TYR HB3 H 1 2.570 0.003 . 2 . . . . A 16 TYR HB3 . 34081 1 32 . 1 1 16 16 TYR HD1 H 1 6.596 0.004 . 1 . . . . A 16 TYR HD1 . 34081 1 33 . 1 1 16 16 TYR HD2 H 1 6.596 0.004 . 1 . . . . A 16 TYR HD2 . 34081 1 34 . 1 1 17 17 ILE H H 1 8.869 0.002 . 1 . . . . A 17 ILE H . 34081 1 35 . 1 1 17 17 ILE HA H 1 4.541 0.000 . 1 . . . . A 17 ILE HA . 34081 1 36 . 1 1 17 17 ILE HB H 1 1.382 0.003 . 1 . . . . A 17 ILE HB . 34081 1 37 . 1 1 17 17 ILE HG12 H 1 0.859 0.003 . 2 . . . . A 17 ILE HG12 . 34081 1 38 . 1 1 17 17 ILE HG13 H 1 0.083 0.002 . 2 . . . . A 17 ILE HG13 . 34081 1 39 . 1 1 17 17 ILE HG21 H 1 -0.250 0.002 . 1 . . . . A 17 ILE HG21 . 34081 1 40 . 1 1 17 17 ILE HG22 H 1 -0.250 0.002 . 1 . . . . A 17 ILE HG22 . 34081 1 41 . 1 1 17 17 ILE HG23 H 1 -0.250 0.002 . 1 . . . . A 17 ILE HG23 . 34081 1 42 . 1 1 17 17 ILE HD11 H 1 -0.526 0.002 . 1 . . . . A 17 ILE HD11 . 34081 1 43 . 1 1 17 17 ILE HD12 H 1 -0.526 0.002 . 1 . . . . A 17 ILE HD12 . 34081 1 44 . 1 1 17 17 ILE HD13 H 1 -0.526 0.002 . 1 . . . . A 17 ILE HD13 . 34081 1 45 . 1 1 18 18 ARG H H 1 8.639 0.006 . 1 . . . . A 18 ARG H . 34081 1 46 . 1 1 18 18 ARG HA H 1 4.881 0.002 . 1 . . . . A 18 ARG HA . 34081 1 47 . 1 1 18 18 ARG HB2 H 1 2.194 0.005 . 2 . . . . A 18 ARG HB2 . 34081 1 48 . 1 1 18 18 ARG HB3 H 1 1.900 0.013 . 2 . . . . A 18 ARG HB3 . 34081 1 49 . 1 1 18 18 ARG HG2 H 1 1.443 0.004 . 2 . . . . A 18 ARG HG2 . 34081 1 50 . 1 1 18 18 ARG HG3 H 1 1.379 0.003 . 2 . . . . A 18 ARG HG3 . 34081 1 51 . 1 1 18 18 ARG HD2 H 1 3.133 0.005 . 2 . . . . A 18 ARG HD2 . 34081 1 52 . 1 1 18 18 ARG HD3 H 1 3.077 0.003 . 2 . . . . A 18 ARG HD3 . 34081 1 53 . 1 1 18 18 ARG HE H 1 7.041 0.003 . 1 . . . . A 18 ARG HE . 34081 1 54 . 1 1 19 19 VAL H H 1 8.927 0.002 . 1 . . . . A 19 VAL H . 34081 1 55 . 1 1 19 19 VAL HA H 1 5.467 0.004 . 1 . . . . A 19 VAL HA . 34081 1 56 . 1 1 19 19 VAL HB H 1 1.739 0.003 . 1 . . . . A 19 VAL HB . 34081 1 57 . 1 1 19 19 VAL HG11 H 1 0.547 0.003 . 2 . . . . A 19 VAL HG11 . 34081 1 58 . 1 1 19 19 VAL HG12 H 1 0.547 0.003 . 2 . . . . A 19 VAL HG12 . 34081 1 59 . 1 1 19 19 VAL HG13 H 1 0.547 0.003 . 2 . . . . A 19 VAL HG13 . 34081 1 60 . 1 1 19 19 VAL HG21 H 1 0.748 0.003 . 2 . . . . A 19 VAL HG21 . 34081 1 61 . 1 1 19 19 VAL HG22 H 1 0.748 0.003 . 2 . . . . A 19 VAL HG22 . 34081 1 62 . 1 1 19 19 VAL HG23 H 1 0.748 0.003 . 2 . . . . A 19 VAL HG23 . 34081 1 63 . 1 1 20 20 THR H H 1 8.765 0.003 . 1 . . . . A 20 THR H . 34081 1 64 . 1 1 20 20 THR HA H 1 5.079 0.002 . 1 . . . . A 20 THR HA . 34081 1 65 . 1 1 20 20 THR HB H 1 3.630 0.003 . 1 . . . . A 20 THR HB . 34081 1 66 . 1 1 20 20 THR HG21 H 1 0.879 0.002 . 1 . . . . A 20 THR HG21 . 34081 1 67 . 1 1 20 20 THR HG22 H 1 0.879 0.002 . 1 . . . . A 20 THR HG22 . 34081 1 68 . 1 1 20 20 THR HG23 H 1 0.879 0.002 . 1 . . . . A 20 THR HG23 . 34081 1 69 . 1 1 21 21 GLU H H 1 8.791 0.004 . 1 . . . . A 21 GLU H . 34081 1 70 . 1 1 21 21 GLU HA H 1 4.191 0.005 . 1 . . . . A 21 GLU HA . 34081 1 71 . 1 1 21 21 GLU HB2 H 1 2.307 0.004 . 2 . . . . A 21 GLU HB2 . 34081 1 72 . 1 1 21 21 GLU HB3 H 1 2.067 0.004 . 2 . . . . A 21 GLU HB3 . 34081 1 73 . 1 1 21 21 GLU HG2 H 1 2.550 0.005 . 2 . . . . A 21 GLU HG2 . 34081 1 74 . 1 1 21 21 GLU HG3 H 1 2.446 0.001 . 2 . . . . A 21 GLU HG3 . 34081 1 75 . 1 1 22 22 ASP H H 1 7.905 0.003 . 1 . . . . A 22 ASP H . 34081 1 76 . 1 1 22 22 ASP HA H 1 4.592 0.001 . 1 . . . . A 22 ASP HA . 34081 1 77 . 1 1 22 22 ASP HB2 H 1 2.633 0.000 . 2 . . . . A 22 ASP HB2 . 34081 1 78 . 1 1 22 22 ASP HB3 H 1 2.633 0.000 . 2 . . . . A 22 ASP HB3 . 34081 1 79 . 1 1 23 23 GLU H H 1 9.257 0.003 . 1 . . . . A 23 GLU H . 34081 1 80 . 1 1 23 23 GLU HA H 1 3.887 0.003 . 1 . . . . A 23 GLU HA . 34081 1 81 . 1 1 23 23 GLU HB2 H 1 2.010 0.002 . 2 . . . . A 23 GLU HB2 . 34081 1 82 . 1 1 23 23 GLU HB3 H 1 1.919 0.003 . 2 . . . . A 23 GLU HB3 . 34081 1 83 . 1 1 23 23 GLU HG2 H 1 2.200 0.001 . 2 . . . . A 23 GLU HG2 . 34081 1 84 . 1 1 23 23 GLU HG3 H 1 2.200 0.001 . 2 . . . . A 23 GLU HG3 . 34081 1 85 . 1 1 24 24 ASN H H 1 8.819 0.002 . 1 . . . . A 24 ASN H . 34081 1 86 . 1 1 24 24 ASN HB2 H 1 2.825 0.003 . 2 . . . . A 24 ASN HB2 . 34081 1 87 . 1 1 24 24 ASN HB3 H 1 2.643 0.006 . 2 . . . . A 24 ASN HB3 . 34081 1 88 . 1 1 24 24 ASN HD21 H 1 7.730 0.000 . 2 . . . . A 24 ASN HD21 . 34081 1 89 . 1 1 24 24 ASN HD22 H 1 6.873 0.001 . 2 . . . . A 24 ASN HD22 . 34081 1 90 . 1 1 25 25 ASP H H 1 8.022 0.001 . 1 . . . . A 25 ASP H . 34081 1 91 . 1 1 25 25 ASP HA H 1 4.930 0.001 . 1 . . . . A 25 ASP HA . 34081 1 92 . 1 1 25 25 ASP HB2 H 1 2.882 0.004 . 2 . . . . A 25 ASP HB2 . 34081 1 93 . 1 1 25 25 ASP HB3 H 1 2.762 0.003 . 2 . . . . A 25 ASP HB3 . 34081 1 94 . 1 1 26 26 GLU H H 1 8.677 0.001 . 1 . . . . A 26 GLU H . 34081 1 95 . 1 1 26 26 GLU HB2 H 1 2.003 0.002 . 2 . . . . A 26 GLU HB2 . 34081 1 96 . 1 1 26 26 GLU HB3 H 1 2.003 0.002 . 2 . . . . A 26 GLU HB3 . 34081 1 97 . 1 1 26 26 GLU HG2 H 1 2.473 0.001 . 2 . . . . A 26 GLU HG2 . 34081 1 98 . 1 1 26 26 GLU HG3 H 1 2.473 0.001 . 2 . . . . A 26 GLU HG3 . 34081 1 99 . 1 1 27 27 PRO HA H 1 4.719 0.000 . 1 . . . . A 27 PRO HA . 34081 1 100 . 1 1 27 27 PRO HB2 H 1 1.857 0.004 . 2 . . . . A 27 PRO HB2 . 34081 1 101 . 1 1 27 27 PRO HB3 H 1 1.947 0.002 . 2 . . . . A 27 PRO HB3 . 34081 1 102 . 1 1 27 27 PRO HD2 H 1 3.983 0.004 . 2 . . . . A 27 PRO HD2 . 34081 1 103 . 1 1 27 27 PRO HD3 H 1 3.667 0.003 . 2 . . . . A 27 PRO HD3 . 34081 1 104 . 1 1 28 28 ILE H H 1 9.229 0.003 . 1 . . . . A 28 ILE H . 34081 1 105 . 1 1 28 28 ILE HA H 1 4.483 0.012 . 1 . . . . A 28 ILE HA . 34081 1 106 . 1 1 28 28 ILE HB H 1 1.921 0.002 . 1 . . . . A 28 ILE HB . 34081 1 107 . 1 1 28 28 ILE HG12 H 1 1.468 0.000 . 2 . . . . A 28 ILE HG12 . 34081 1 108 . 1 1 28 28 ILE HG13 H 1 1.342 0.004 . 2 . . . . A 28 ILE HG13 . 34081 1 109 . 1 1 28 28 ILE HG21 H 1 0.892 0.002 . 1 . . . . A 28 ILE HG21 . 34081 1 110 . 1 1 28 28 ILE HG22 H 1 0.892 0.002 . 1 . . . . A 28 ILE HG22 . 34081 1 111 . 1 1 28 28 ILE HG23 H 1 0.892 0.002 . 1 . . . . A 28 ILE HG23 . 34081 1 112 . 1 1 28 28 ILE HD11 H 1 0.734 0.001 . 1 . . . . A 28 ILE HD11 . 34081 1 113 . 1 1 28 28 ILE HD12 H 1 0.734 0.001 . 1 . . . . A 28 ILE HD12 . 34081 1 114 . 1 1 28 28 ILE HD13 H 1 0.734 0.001 . 1 . . . . A 28 ILE HD13 . 34081 1 115 . 1 1 29 29 GLU H H 1 8.203 0.003 . 1 . . . . A 29 GLU H . 34081 1 116 . 1 1 29 29 GLU HA H 1 4.889 0.002 . 1 . . . . A 29 GLU HA . 34081 1 117 . 1 1 29 29 GLU HB2 H 1 1.700 0.001 . 2 . . . . A 29 GLU HB2 . 34081 1 118 . 1 1 29 29 GLU HB3 H 1 1.380 0.002 . 2 . . . . A 29 GLU HB3 . 34081 1 119 . 1 1 29 29 GLU HG2 H 1 2.096 0.000 . 2 . . . . A 29 GLU HG2 . 34081 1 120 . 1 1 29 29 GLU HG3 H 1 1.919 0.001 . 2 . . . . A 29 GLU HG3 . 34081 1 121 . 1 1 30 30 ILE H H 1 9.271 0.003 . 1 . . . . A 30 ILE H . 34081 1 122 . 1 1 30 30 ILE HB H 1 1.782 0.005 . 1 . . . . A 30 ILE HB . 34081 1 123 . 1 1 30 30 ILE HG12 H 1 1.351 0.003 . 2 . . . . A 30 ILE HG12 . 34081 1 124 . 1 1 30 30 ILE HG13 H 1 1.198 0.022 . 2 . . . . A 30 ILE HG13 . 34081 1 125 . 1 1 30 30 ILE HD11 H 1 0.677 0.005 . 1 . . . . A 30 ILE HD11 . 34081 1 126 . 1 1 30 30 ILE HD12 H 1 0.677 0.005 . 1 . . . . A 30 ILE HD12 . 34081 1 127 . 1 1 30 30 ILE HD13 H 1 0.677 0.005 . 1 . . . . A 30 ILE HD13 . 34081 1 128 . 1 1 31 31 PRO HA H 1 4.383 0.004 . 1 . . . . A 31 PRO HA . 34081 1 129 . 1 1 31 31 PRO HB2 H 1 1.650 0.005 . 2 . . . . A 31 PRO HB2 . 34081 1 130 . 1 1 31 31 PRO HB3 H 1 2.339 0.001 . 2 . . . . A 31 PRO HB3 . 34081 1 131 . 1 1 31 31 PRO HG2 H 1 1.908 0.006 . 2 . . . . A 31 PRO HG2 . 34081 1 132 . 1 1 31 31 PRO HG3 H 1 2.067 0.010 . 2 . . . . A 31 PRO HG3 . 34081 1 133 . 1 1 31 31 PRO HD2 H 1 3.567 0.002 . 2 . . . . A 31 PRO HD2 . 34081 1 134 . 1 1 31 31 PRO HD3 H 1 3.702 0.005 . 2 . . . . A 31 PRO HD3 . 34081 1 135 . 1 1 32 32 SER H H 1 7.788 0.002 . 1 . . . . A 32 SER H . 34081 1 136 . 1 1 32 32 SER HA H 1 4.554 0.002 . 1 . . . . A 32 SER HA . 34081 1 137 . 1 1 32 32 SER HB2 H 1 3.874 0.004 . 2 . . . . A 32 SER HB2 . 34081 1 138 . 1 1 32 32 SER HB3 H 1 3.161 0.004 . 2 . . . . A 32 SER HB3 . 34081 1 139 . 1 1 33 33 GLU H H 1 9.229 0.003 . 1 . . . . A 33 GLU H . 34081 1 140 . 1 1 33 33 GLU HA H 1 4.309 0.004 . 1 . . . . A 33 GLU HA . 34081 1 141 . 1 1 33 33 GLU HB2 H 1 2.069 0.003 . 2 . . . . A 33 GLU HB2 . 34081 1 142 . 1 1 33 33 GLU HB3 H 1 2.069 0.003 . 2 . . . . A 33 GLU HB3 . 34081 1 143 . 1 1 33 33 GLU HG2 H 1 2.189 0.002 . 2 . . . . A 33 GLU HG2 . 34081 1 144 . 1 1 33 33 GLU HG3 H 1 2.189 0.002 . 2 . . . . A 33 GLU HG3 . 34081 1 145 . 1 1 34 34 ASP H H 1 9.038 0.002 . 1 . . . . A 34 ASP H . 34081 1 146 . 1 1 34 34 ASP HA H 1 4.211 0.005 . 1 . . . . A 34 ASP HA . 34081 1 147 . 1 1 34 34 ASP HB2 H 1 2.660 0.001 . 2 . . . . A 34 ASP HB2 . 34081 1 148 . 1 1 34 34 ASP HB3 H 1 2.660 0.001 . 2 . . . . A 34 ASP HB3 . 34081 1 149 . 1 1 35 35 ASP H H 1 7.660 0.001 . 1 . . . . A 35 ASP H . 34081 1 150 . 1 1 35 35 ASP HA H 1 4.488 0.000 . 1 . . . . A 35 ASP HA . 34081 1 151 . 1 1 35 35 ASP HB2 H 1 3.051 0.000 . 2 . . . . A 35 ASP HB2 . 34081 1 152 . 1 1 35 35 ASP HB3 H 1 2.544 0.000 . 2 . . . . A 35 ASP HB3 . 34081 1 153 . 1 1 36 36 GLY H H 1 8.209 0.001 . 1 . . . . A 36 GLY H . 34081 1 154 . 1 1 36 36 GLY HA2 H 1 4.336 0.000 . 2 . . . . A 36 GLY HA2 . 34081 1 155 . 1 1 36 36 GLY HA3 H 1 3.888 0.000 . 2 . . . . A 36 GLY HA3 . 34081 1 156 . 1 1 37 37 THR H H 1 7.886 0.003 . 1 . . . . A 37 THR H . 34081 1 157 . 1 1 37 37 THR HB H 1 3.985 0.003 . 1 . . . . A 37 THR HB . 34081 1 158 . 1 1 37 37 THR HG21 H 1 0.752 0.001 . 1 . . . . A 37 THR HG21 . 34081 1 159 . 1 1 37 37 THR HG22 H 1 0.752 0.001 . 1 . . . . A 37 THR HG22 . 34081 1 160 . 1 1 37 37 THR HG23 H 1 0.752 0.001 . 1 . . . . A 37 THR HG23 . 34081 1 161 . 1 1 38 38 VAL H H 1 8.373 0.002 . 1 . . . . A 38 VAL H . 34081 1 162 . 1 1 38 38 VAL HA H 1 4.357 0.002 . 1 . . . . A 38 VAL HA . 34081 1 163 . 1 1 38 38 VAL HB H 1 1.434 0.003 . 1 . . . . A 38 VAL HB . 34081 1 164 . 1 1 38 38 VAL HG11 H 1 0.083 0.002 . 2 . . . . A 38 VAL HG11 . 34081 1 165 . 1 1 38 38 VAL HG12 H 1 0.083 0.002 . 2 . . . . A 38 VAL HG12 . 34081 1 166 . 1 1 38 38 VAL HG13 H 1 0.083 0.002 . 2 . . . . A 38 VAL HG13 . 34081 1 167 . 1 1 38 38 VAL HG21 H 1 0.474 0.002 . 2 . . . . A 38 VAL HG21 . 34081 1 168 . 1 1 38 38 VAL HG22 H 1 0.474 0.002 . 2 . . . . A 38 VAL HG22 . 34081 1 169 . 1 1 38 38 VAL HG23 H 1 0.474 0.002 . 2 . . . . A 38 VAL HG23 . 34081 1 170 . 1 1 39 39 LEU H H 1 8.518 0.002 . 1 . . . . A 39 LEU H . 34081 1 171 . 1 1 39 39 LEU HA H 1 4.489 0.004 . 1 . . . . A 39 LEU HA . 34081 1 172 . 1 1 39 39 LEU HB2 H 1 2.006 0.006 . 2 . . . . A 39 LEU HB2 . 34081 1 173 . 1 1 39 39 LEU HB3 H 1 1.666 0.005 . 2 . . . . A 39 LEU HB3 . 34081 1 174 . 1 1 39 39 LEU HG H 1 1.583 0.004 . 1 . . . . A 39 LEU HG . 34081 1 175 . 1 1 39 39 LEU HD11 H 1 0.773 0.003 . 2 . . . . A 39 LEU HD11 . 34081 1 176 . 1 1 39 39 LEU HD12 H 1 0.773 0.003 . 2 . . . . A 39 LEU HD12 . 34081 1 177 . 1 1 39 39 LEU HD13 H 1 0.773 0.003 . 2 . . . . A 39 LEU HD13 . 34081 1 178 . 1 1 39 39 LEU HD21 H 1 0.789 0.002 . 2 . . . . A 39 LEU HD21 . 34081 1 179 . 1 1 39 39 LEU HD22 H 1 0.789 0.002 . 2 . . . . A 39 LEU HD22 . 34081 1 180 . 1 1 39 39 LEU HD23 H 1 0.789 0.002 . 2 . . . . A 39 LEU HD23 . 34081 1 181 . 1 1 40 40 LEU H H 1 8.658 0.002 . 1 . . . . A 40 LEU H . 34081 1 182 . 1 1 40 40 LEU HA H 1 3.948 0.005 . 1 . . . . A 40 LEU HA . 34081 1 183 . 1 1 40 40 LEU HB2 H 1 1.876 0.002 . 2 . . . . A 40 LEU HB2 . 34081 1 184 . 1 1 40 40 LEU HB3 H 1 1.059 0.002 . 2 . . . . A 40 LEU HB3 . 34081 1 185 . 1 1 40 40 LEU HG H 1 0.877 0.003 . 1 . . . . A 40 LEU HG . 34081 1 186 . 1 1 40 40 LEU HD11 H 1 0.614 0.004 . 2 . . . . A 40 LEU HD11 . 34081 1 187 . 1 1 40 40 LEU HD12 H 1 0.614 0.004 . 2 . . . . A 40 LEU HD12 . 34081 1 188 . 1 1 40 40 LEU HD13 H 1 0.614 0.004 . 2 . . . . A 40 LEU HD13 . 34081 1 189 . 1 1 40 40 LEU HD21 H 1 0.586 0.001 . 2 . . . . A 40 LEU HD21 . 34081 1 190 . 1 1 40 40 LEU HD22 H 1 0.586 0.001 . 2 . . . . A 40 LEU HD22 . 34081 1 191 . 1 1 40 40 LEU HD23 H 1 0.586 0.001 . 2 . . . . A 40 LEU HD23 . 34081 1 192 . 1 1 41 41 SER H H 1 8.732 0.002 . 1 . . . . A 41 SER H . 34081 1 193 . 1 1 41 41 SER HA H 1 4.363 0.007 . 1 . . . . A 41 SER HA . 34081 1 194 . 1 1 41 41 SER HB2 H 1 3.882 0.004 . 2 . . . . A 41 SER HB2 . 34081 1 195 . 1 1 41 41 SER HB3 H 1 3.759 0.003 . 2 . . . . A 41 SER HB3 . 34081 1 196 . 1 1 42 42 THR H H 1 7.449 0.003 . 1 . . . . A 42 THR H . 34081 1 197 . 1 1 42 42 THR HA H 1 3.965 0.005 . 1 . . . . A 42 THR HA . 34081 1 198 . 1 1 42 42 THR HB H 1 4.341 0.000 . 1 . . . . A 42 THR HB . 34081 1 199 . 1 1 42 42 THR HG21 H 1 1.334 0.002 . 1 . . . . A 42 THR HG21 . 34081 1 200 . 1 1 42 42 THR HG22 H 1 1.334 0.002 . 1 . . . . A 42 THR HG22 . 34081 1 201 . 1 1 42 42 THR HG23 H 1 1.334 0.002 . 1 . . . . A 42 THR HG23 . 34081 1 202 . 1 1 43 43 VAL H H 1 7.253 0.004 . 1 . . . . A 43 VAL H . 34081 1 203 . 1 1 43 43 VAL HA H 1 3.578 0.004 . 1 . . . . A 43 VAL HA . 34081 1 204 . 1 1 43 43 VAL HB H 1 2.454 0.002 . 1 . . . . A 43 VAL HB . 34081 1 205 . 1 1 43 43 VAL HG11 H 1 0.791 0.003 . 2 . . . . A 43 VAL HG11 . 34081 1 206 . 1 1 43 43 VAL HG12 H 1 0.791 0.003 . 2 . . . . A 43 VAL HG12 . 34081 1 207 . 1 1 43 43 VAL HG13 H 1 0.791 0.003 . 2 . . . . A 43 VAL HG13 . 34081 1 208 . 1 1 43 43 VAL HG21 H 1 0.737 0.003 . 2 . . . . A 43 VAL HG21 . 34081 1 209 . 1 1 43 43 VAL HG22 H 1 0.737 0.003 . 2 . . . . A 43 VAL HG22 . 34081 1 210 . 1 1 43 43 VAL HG23 H 1 0.737 0.003 . 2 . . . . A 43 VAL HG23 . 34081 1 211 . 1 1 44 44 THR H H 1 9.174 0.003 . 1 . . . . A 44 THR H . 34081 1 212 . 1 1 44 44 THR HA H 1 4.177 0.007 . 1 . . . . A 44 THR HA . 34081 1 213 . 1 1 44 44 THR HB H 1 4.377 0.009 . 1 . . . . A 44 THR HB . 34081 1 214 . 1 1 44 44 THR HG21 H 1 1.315 0.002 . 1 . . . . A 44 THR HG21 . 34081 1 215 . 1 1 44 44 THR HG22 H 1 1.315 0.002 . 1 . . . . A 44 THR HG22 . 34081 1 216 . 1 1 44 44 THR HG23 H 1 1.315 0.002 . 1 . . . . A 44 THR HG23 . 34081 1 217 . 1 1 45 45 ALA H H 1 7.282 0.002 . 1 . . . . A 45 ALA H . 34081 1 218 . 1 1 45 45 ALA HA H 1 4.049 0.005 . 1 . . . . A 45 ALA HA . 34081 1 219 . 1 1 45 45 ALA HB1 H 1 1.448 0.001 . 1 . . . . A 45 ALA HB1 . 34081 1 220 . 1 1 45 45 ALA HB2 H 1 1.448 0.001 . 1 . . . . A 45 ALA HB2 . 34081 1 221 . 1 1 45 45 ALA HB3 H 1 1.448 0.001 . 1 . . . . A 45 ALA HB3 . 34081 1 222 . 1 1 46 46 GLN H H 1 6.833 0.002 . 1 . . . . A 46 GLN H . 34081 1 223 . 1 1 46 46 GLN HA H 1 4.123 0.006 . 1 . . . . A 46 GLN HA . 34081 1 224 . 1 1 46 46 GLN HB2 H 1 1.625 0.003 . 2 . . . . A 46 GLN HB2 . 34081 1 225 . 1 1 46 46 GLN HB3 H 1 1.592 0.005 . 2 . . . . A 46 GLN HB3 . 34081 1 226 . 1 1 46 46 GLN HG2 H 1 2.545 0.007 . 2 . . . . A 46 GLN HG2 . 34081 1 227 . 1 1 46 46 GLN HG3 H 1 2.067 0.003 . 2 . . . . A 46 GLN HG3 . 34081 1 228 . 1 1 46 46 GLN HE21 H 1 6.761 0.003 . 2 . . . . A 46 GLN HE21 . 34081 1 229 . 1 1 46 46 GLN HE22 H 1 7.367 0.002 . 2 . . . . A 46 GLN HE22 . 34081 1 230 . 1 1 47 47 PHE H H 1 8.327 0.001 . 1 . . . . A 47 PHE H . 34081 1 231 . 1 1 47 47 PHE HA H 1 4.945 0.003 . 1 . . . . A 47 PHE HA . 34081 1 232 . 1 1 47 47 PHE HB2 H 1 3.092 0.003 . 2 . . . . A 47 PHE HB2 . 34081 1 233 . 1 1 47 47 PHE HB3 H 1 2.980 0.005 . 2 . . . . A 47 PHE HB3 . 34081 1 234 . 1 1 47 47 PHE HD1 H 1 7.220 0.023 . 1 . . . . A 47 PHE HD1 . 34081 1 235 . 1 1 47 47 PHE HD2 H 1 7.220 0.023 . 1 . . . . A 47 PHE HD2 . 34081 1 236 . 1 1 47 47 PHE HE1 H 1 7.098 0.002 . 1 . . . . A 47 PHE HE1 . 34081 1 237 . 1 1 47 47 PHE HE2 H 1 7.098 0.002 . 1 . . . . A 47 PHE HE2 . 34081 1 238 . 1 1 47 47 PHE HZ H 1 7.248 0.001 . 1 . . . . A 47 PHE HZ . 34081 1 239 . 1 1 48 48 PRO HA H 1 4.450 0.001 . 1 . . . . A 48 PRO HA . 34081 1 240 . 1 1 48 48 PRO HB2 H 1 2.276 0.041 . 2 . . . . A 48 PRO HB2 . 34081 1 241 . 1 1 48 48 PRO HB3 H 1 1.891 0.017 . 2 . . . . A 48 PRO HB3 . 34081 1 242 . 1 1 48 48 PRO HG2 H 1 1.959 0.001 . 2 . . . . A 48 PRO HG2 . 34081 1 243 . 1 1 48 48 PRO HG3 H 1 2.045 0.012 . 2 . . . . A 48 PRO HG3 . 34081 1 244 . 1 1 48 48 PRO HD2 H 1 3.653 0.006 . 2 . . . . A 48 PRO HD2 . 34081 1 245 . 1 1 48 48 PRO HD3 H 1 3.246 0.004 . 2 . . . . A 48 PRO HD3 . 34081 1 246 . 1 1 49 49 GLY H H 1 8.817 0.002 . 1 . . . . A 49 GLY H . 34081 1 247 . 1 1 49 49 GLY HA2 H 1 4.437 0.000 . 2 . . . . A 49 GLY HA2 . 34081 1 248 . 1 1 49 49 GLY HA3 H 1 3.658 0.004 . 2 . . . . A 49 GLY HA3 . 34081 1 249 . 1 1 50 50 ALA H H 1 7.935 0.002 . 1 . . . . A 50 ALA H . 34081 1 250 . 1 1 50 50 ALA HA H 1 3.978 0.005 . 1 . . . . A 50 ALA HA . 34081 1 251 . 1 1 50 50 ALA HB1 H 1 1.238 0.002 . 1 . . . . A 50 ALA HB1 . 34081 1 252 . 1 1 50 50 ALA HB2 H 1 1.238 0.002 . 1 . . . . A 50 ALA HB2 . 34081 1 253 . 1 1 50 50 ALA HB3 H 1 1.238 0.002 . 1 . . . . A 50 ALA HB3 . 34081 1 254 . 1 1 51 51 CYS H H 1 9.017 0.002 . 1 . . . . A 51 CYS H . 34081 1 255 . 1 1 51 51 CYS HA H 1 4.955 0.003 . 1 . . . . A 51 CYS HA . 34081 1 256 . 1 1 51 51 CYS HB2 H 1 3.272 0.003 . 2 . . . . A 51 CYS HB2 . 34081 1 257 . 1 1 51 51 CYS HB3 H 1 2.520 0.003 . 2 . . . . A 51 CYS HB3 . 34081 1 258 . 1 1 52 52 GLY H H 1 7.379 0.027 . 1 . . . . A 52 GLY H . 34081 1 259 . 1 1 52 52 GLY HA2 H 1 4.363 0.001 . 2 . . . . A 52 GLY HA2 . 34081 1 260 . 1 1 52 52 GLY HA3 H 1 3.631 0.001 . 2 . . . . A 52 GLY HA3 . 34081 1 261 . 1 1 53 53 LEU H H 1 8.962 0.001 . 1 . . . . A 53 LEU H . 34081 1 262 . 1 1 53 53 LEU HA H 1 5.319 0.002 . 1 . . . . A 53 LEU HA . 34081 1 263 . 1 1 53 53 LEU HB2 H 1 1.617 0.007 . 2 . . . . A 53 LEU HB2 . 34081 1 264 . 1 1 53 53 LEU HB3 H 1 1.516 0.000 . 2 . . . . A 53 LEU HB3 . 34081 1 265 . 1 1 53 53 LEU HG H 1 1.389 0.009 . 1 . . . . A 53 LEU HG . 34081 1 266 . 1 1 53 53 LEU HD11 H 1 0.804 0.003 . 2 . . . . A 53 LEU HD11 . 34081 1 267 . 1 1 53 53 LEU HD12 H 1 0.804 0.003 . 2 . . . . A 53 LEU HD12 . 34081 1 268 . 1 1 53 53 LEU HD13 H 1 0.804 0.003 . 2 . . . . A 53 LEU HD13 . 34081 1 269 . 1 1 53 53 LEU HD21 H 1 0.541 0.003 . 2 . . . . A 53 LEU HD21 . 34081 1 270 . 1 1 53 53 LEU HD22 H 1 0.541 0.003 . 2 . . . . A 53 LEU HD22 . 34081 1 271 . 1 1 53 53 LEU HD23 H 1 0.541 0.003 . 2 . . . . A 53 LEU HD23 . 34081 1 272 . 1 1 54 54 ARG H H 1 9.492 0.004 . 1 . . . . A 54 ARG H . 34081 1 273 . 1 1 54 54 ARG HA H 1 5.596 0.002 . 1 . . . . A 54 ARG HA . 34081 1 274 . 1 1 54 54 ARG HB2 H 1 1.727 0.003 . 2 . . . . A 54 ARG HB2 . 34081 1 275 . 1 1 54 54 ARG HG3 H 1 1.203 0.012 . 2 . . . . A 54 ARG HG3 . 34081 1 276 . 1 1 54 54 ARG HD2 H 1 2.839 0.003 . 2 . . . . A 54 ARG HD2 . 34081 1 277 . 1 1 54 54 ARG HD3 H 1 3.084 0.000 . 2 . . . . A 54 ARG HD3 . 34081 1 278 . 1 1 54 54 ARG HE H 1 6.957 0.003 . 1 . . . . A 54 ARG HE . 34081 1 279 . 1 1 55 55 TYR H H 1 8.959 0.002 . 1 . . . . A 55 TYR H . 34081 1 280 . 1 1 55 55 TYR HA H 1 4.830 0.010 . 1 . . . . A 55 TYR HA . 34081 1 281 . 1 1 55 55 TYR HB2 H 1 2.993 0.004 . 2 . . . . A 55 TYR HB2 . 34081 1 282 . 1 1 55 55 TYR HB3 H 1 2.410 0.005 . 2 . . . . A 55 TYR HB3 . 34081 1 283 . 1 1 55 55 TYR HD1 H 1 6.788 0.001 . 1 . . . . A 55 TYR HD1 . 34081 1 284 . 1 1 55 55 TYR HD2 H 1 6.788 0.001 . 1 . . . . A 55 TYR HD2 . 34081 1 285 . 1 1 55 55 TYR HE1 H 1 6.559 0.009 . 1 . . . . A 55 TYR HE1 . 34081 1 286 . 1 1 55 55 TYR HE2 H 1 6.559 0.009 . 1 . . . . A 55 TYR HE2 . 34081 1 287 . 1 1 56 56 ARG H H 1 8.917 0.001 . 1 . . . . A 56 ARG H . 34081 1 288 . 1 1 56 56 ARG HA H 1 4.265 0.000 . 1 . . . . A 56 ARG HA . 34081 1 289 . 1 1 56 56 ARG HB2 H 1 1.541 0.002 . 2 . . . . A 56 ARG HB2 . 34081 1 290 . 1 1 56 56 ARG HB3 H 1 1.541 0.002 . 2 . . . . A 56 ARG HB3 . 34081 1 291 . 1 1 56 56 ARG HG2 H 1 1.145 0.002 . 2 . . . . A 56 ARG HG2 . 34081 1 292 . 1 1 56 56 ARG HG3 H 1 1.145 0.002 . 2 . . . . A 56 ARG HG3 . 34081 1 293 . 1 1 56 56 ARG HD2 H 1 3.074 0.001 . 2 . . . . A 56 ARG HD2 . 34081 1 294 . 1 1 56 56 ARG HD3 H 1 3.074 0.001 . 2 . . . . A 56 ARG HD3 . 34081 1 295 . 1 1 56 56 ARG HE H 1 7.038 0.002 . 1 . . . . A 56 ARG HE . 34081 1 296 . 1 1 57 57 ASN H H 1 8.397 0.003 . 1 . . . . A 57 ASN H . 34081 1 297 . 1 1 57 57 ASN HB2 H 1 3.128 0.005 . 2 . . . . A 57 ASN HB2 . 34081 1 298 . 1 1 57 57 ASN HB3 H 1 2.430 0.004 . 2 . . . . A 57 ASN HB3 . 34081 1 299 . 1 1 57 57 ASN HD21 H 1 7.648 0.003 . 2 . . . . A 57 ASN HD21 . 34081 1 300 . 1 1 57 57 ASN HD22 H 1 7.489 0.004 . 2 . . . . A 57 ASN HD22 . 34081 1 301 . 1 1 58 58 PRO HA H 1 4.286 0.004 . 1 . . . . A 58 PRO HA . 34081 1 302 . 1 1 58 58 PRO HB2 H 1 2.315 0.001 . 2 . . . . A 58 PRO HB2 . 34081 1 303 . 1 1 58 58 PRO HB3 H 1 2.007 0.004 . 2 . . . . A 58 PRO HB3 . 34081 1 304 . 1 1 58 58 PRO HG2 H 1 2.081 0.003 . 2 . . . . A 58 PRO HG2 . 34081 1 305 . 1 1 58 58 PRO HG3 H 1 2.081 0.003 . 2 . . . . A 58 PRO HG3 . 34081 1 306 . 1 1 58 58 PRO HD2 H 1 4.134 0.006 . 2 . . . . A 58 PRO HD2 . 34081 1 307 . 1 1 58 58 PRO HD3 H 1 3.925 0.008 . 2 . . . . A 58 PRO HD3 . 34081 1 308 . 1 1 59 59 VAL H H 1 7.951 0.002 . 1 . . . . A 59 VAL H . 34081 1 309 . 1 1 59 59 VAL HA H 1 3.897 0.003 . 1 . . . . A 59 VAL HA . 34081 1 310 . 1 1 59 59 VAL HB H 1 2.147 0.001 . 1 . . . . A 59 VAL HB . 34081 1 311 . 1 1 59 59 VAL HG11 H 1 0.895 0.002 . 2 . . . . A 59 VAL HG11 . 34081 1 312 . 1 1 59 59 VAL HG12 H 1 0.895 0.002 . 2 . . . . A 59 VAL HG12 . 34081 1 313 . 1 1 59 59 VAL HG13 H 1 0.895 0.002 . 2 . . . . A 59 VAL HG13 . 34081 1 314 . 1 1 59 59 VAL HG21 H 1 0.958 0.001 . 2 . . . . A 59 VAL HG21 . 34081 1 315 . 1 1 59 59 VAL HG22 H 1 0.958 0.001 . 2 . . . . A 59 VAL HG22 . 34081 1 316 . 1 1 59 59 VAL HG23 H 1 0.958 0.001 . 2 . . . . A 59 VAL HG23 . 34081 1 317 . 1 1 60 60 SER H H 1 7.678 0.004 . 1 . . . . A 60 SER H . 34081 1 318 . 1 1 60 60 SER HA H 1 4.408 0.002 . 1 . . . . A 60 SER HA . 34081 1 319 . 1 1 60 60 SER HB2 H 1 4.043 0.007 . 2 . . . . A 60 SER HB2 . 34081 1 320 . 1 1 60 60 SER HB3 H 1 3.759 0.001 . 2 . . . . A 60 SER HB3 . 34081 1 321 . 1 1 61 61 GLN H H 1 8.293 0.002 . 1 . . . . A 61 GLN H . 34081 1 322 . 1 1 61 61 GLN HA H 1 3.854 0.005 . 1 . . . . A 61 GLN HA . 34081 1 323 . 1 1 61 61 GLN HB2 H 1 2.122 0.003 . 2 . . . . A 61 GLN HB2 . 34081 1 324 . 1 1 61 61 GLN HB3 H 1 2.122 0.003 . 2 . . . . A 61 GLN HB3 . 34081 1 325 . 1 1 61 61 GLN HG2 H 1 2.313 0.000 . 2 . . . . A 61 GLN HG2 . 34081 1 326 . 1 1 61 61 GLN HG3 H 1 2.313 0.000 . 2 . . . . A 61 GLN HG3 . 34081 1 327 . 1 1 61 61 GLN HE21 H 1 7.301 0.001 . 2 . . . . A 61 GLN HE21 . 34081 1 328 . 1 1 61 61 GLN HE22 H 1 6.694 0.002 . 2 . . . . A 61 GLN HE22 . 34081 1 329 . 1 1 62 62 CYS H H 1 7.653 0.005 . 1 . . . . A 62 CYS H . 34081 1 330 . 1 1 62 62 CYS HA H 1 4.517 0.002 . 1 . . . . A 62 CYS HA . 34081 1 331 . 1 1 62 62 CYS HB2 H 1 2.812 0.001 . 2 . . . . A 62 CYS HB2 . 34081 1 332 . 1 1 62 62 CYS HB3 H 1 2.698 0.005 . 2 . . . . A 62 CYS HB3 . 34081 1 333 . 1 1 63 63 MET H H 1 8.725 0.003 . 1 . . . . A 63 MET H . 34081 1 334 . 1 1 63 63 MET HB2 H 1 2.533 0.003 . 2 . . . . A 63 MET HB2 . 34081 1 335 . 1 1 63 63 MET HB3 H 1 2.420 0.002 . 2 . . . . A 63 MET HB3 . 34081 1 336 . 1 1 63 63 MET HG2 H 1 2.010 0.003 . 2 . . . . A 63 MET HG2 . 34081 1 337 . 1 1 63 63 MET HG3 H 1 1.923 0.002 . 2 . . . . A 63 MET HG3 . 34081 1 338 . 1 1 64 64 ARG H H 1 9.001 0.003 . 1 . . . . A 64 ARG H . 34081 1 339 . 1 1 64 64 ARG HA H 1 4.450 0.003 . 1 . . . . A 64 ARG HA . 34081 1 340 . 1 1 64 64 ARG HB2 H 1 1.452 0.000 . 2 . . . . A 64 ARG HB2 . 34081 1 341 . 1 1 64 64 ARG HB3 H 1 1.452 0.000 . 2 . . . . A 64 ARG HB3 . 34081 1 342 . 1 1 64 64 ARG HG2 H 1 0.971 0.001 . 2 . . . . A 64 ARG HG2 . 34081 1 343 . 1 1 64 64 ARG HG3 H 1 0.971 0.001 . 2 . . . . A 64 ARG HG3 . 34081 1 344 . 1 1 64 64 ARG HD2 H 1 3.102 0.000 . 2 . . . . A 64 ARG HD2 . 34081 1 345 . 1 1 64 64 ARG HD3 H 1 3.102 0.000 . 2 . . . . A 64 ARG HD3 . 34081 1 346 . 1 1 65 65 GLY H H 1 8.453 0.002 . 1 . . . . A 65 GLY H . 34081 1 347 . 1 1 65 65 GLY HA2 H 1 3.693 0.002 . 2 . . . . A 65 GLY HA2 . 34081 1 348 . 1 1 65 65 GLY HA3 H 1 3.693 0.002 . 2 . . . . A 65 GLY HA3 . 34081 1 349 . 1 1 66 66 VAL H H 1 8.245 0.003 . 1 . . . . A 66 VAL H . 34081 1 350 . 1 1 66 66 VAL HA H 1 4.183 0.009 . 1 . . . . A 66 VAL HA . 34081 1 351 . 1 1 66 66 VAL HB H 1 1.961 0.002 . 1 . . . . A 66 VAL HB . 34081 1 352 . 1 1 66 66 VAL HG11 H 1 1.176 0.004 . 2 . . . . A 66 VAL HG11 . 34081 1 353 . 1 1 66 66 VAL HG12 H 1 1.176 0.004 . 2 . . . . A 66 VAL HG12 . 34081 1 354 . 1 1 66 66 VAL HG13 H 1 1.176 0.004 . 2 . . . . A 66 VAL HG13 . 34081 1 355 . 1 1 66 66 VAL HG21 H 1 1.179 0.002 . 2 . . . . A 66 VAL HG21 . 34081 1 356 . 1 1 66 66 VAL HG22 H 1 1.179 0.002 . 2 . . . . A 66 VAL HG22 . 34081 1 357 . 1 1 66 66 VAL HG23 H 1 1.179 0.002 . 2 . . . . A 66 VAL HG23 . 34081 1 358 . 1 1 67 67 ARG H H 1 9.308 0.003 . 1 . . . . A 67 ARG H . 34081 1 359 . 1 1 67 67 ARG HA H 1 4.026 0.005 . 1 . . . . A 67 ARG HA . 34081 1 360 . 1 1 67 67 ARG HB2 H 1 1.743 0.002 . 2 . . . . A 67 ARG HB2 . 34081 1 361 . 1 1 67 67 ARG HG2 H 1 1.592 0.003 . 2 . . . . A 67 ARG HG2 . 34081 1 362 . 1 1 67 67 ARG HG3 H 1 1.592 0.003 . 2 . . . . A 67 ARG HG3 . 34081 1 363 . 1 1 67 67 ARG HD2 H 1 2.989 0.000 . 2 . . . . A 67 ARG HD2 . 34081 1 364 . 1 1 67 67 ARG HD3 H 1 3.102 0.002 . 2 . . . . A 67 ARG HD3 . 34081 1 365 . 1 1 68 68 LEU H H 1 8.261 0.005 . 1 . . . . A 68 LEU H . 34081 1 366 . 1 1 68 68 LEU HA H 1 5.185 0.012 . 1 . . . . A 68 LEU HA . 34081 1 367 . 1 1 68 68 LEU HB2 H 1 1.915 0.004 . 2 . . . . A 68 LEU HB2 . 34081 1 368 . 1 1 68 68 LEU HB3 H 1 1.438 0.005 . 2 . . . . A 68 LEU HB3 . 34081 1 369 . 1 1 68 68 LEU HG H 1 0.982 0.001 . 1 . . . . A 68 LEU HG . 34081 1 370 . 1 1 68 68 LEU HD11 H 1 0.694 0.001 . 2 . . . . A 68 LEU HD11 . 34081 1 371 . 1 1 68 68 LEU HD12 H 1 0.694 0.001 . 2 . . . . A 68 LEU HD12 . 34081 1 372 . 1 1 68 68 LEU HD13 H 1 0.694 0.001 . 2 . . . . A 68 LEU HD13 . 34081 1 373 . 1 1 68 68 LEU HD21 H 1 0.808 0.000 . 2 . . . . A 68 LEU HD21 . 34081 1 374 . 1 1 68 68 LEU HD22 H 1 0.808 0.000 . 2 . . . . A 68 LEU HD22 . 34081 1 375 . 1 1 68 68 LEU HD23 H 1 0.808 0.000 . 2 . . . . A 68 LEU HD23 . 34081 1 376 . 1 1 69 69 VAL H H 1 9.049 0.003 . 1 . . . . A 69 VAL H . 34081 1 377 . 1 1 69 69 VAL HA H 1 4.316 0.007 . 1 . . . . A 69 VAL HA . 34081 1 378 . 1 1 69 69 VAL HB H 1 2.013 0.002 . 1 . . . . A 69 VAL HB . 34081 1 379 . 1 1 69 69 VAL HG11 H 1 0.935 0.001 . 2 . . . . A 69 VAL HG11 . 34081 1 380 . 1 1 69 69 VAL HG12 H 1 0.935 0.001 . 2 . . . . A 69 VAL HG12 . 34081 1 381 . 1 1 69 69 VAL HG13 H 1 0.935 0.001 . 2 . . . . A 69 VAL HG13 . 34081 1 382 . 1 1 69 69 VAL HG21 H 1 0.802 0.001 . 2 . . . . A 69 VAL HG21 . 34081 1 383 . 1 1 69 69 VAL HG22 H 1 0.802 0.001 . 2 . . . . A 69 VAL HG22 . 34081 1 384 . 1 1 69 69 VAL HG23 H 1 0.802 0.001 . 2 . . . . A 69 VAL HG23 . 34081 1 385 . 1 1 70 70 GLU H H 1 9.605 0.002 . 1 . . . . A 70 GLU H . 34081 1 386 . 1 1 70 70 GLU HA H 1 3.887 0.004 . 1 . . . . A 70 GLU HA . 34081 1 387 . 1 1 70 70 GLU HB2 H 1 2.318 0.001 . 2 . . . . A 70 GLU HB2 . 34081 1 388 . 1 1 70 70 GLU HB3 H 1 2.009 0.001 . 2 . . . . A 70 GLU HB3 . 34081 1 389 . 1 1 70 70 GLU HG2 H 1 2.260 0.003 . 2 . . . . A 70 GLU HG2 . 34081 1 390 . 1 1 70 70 GLU HG3 H 1 2.344 0.008 . 2 . . . . A 70 GLU HG3 . 34081 1 391 . 1 1 71 71 GLY H H 1 8.374 0.002 . 1 . . . . A 71 GLY H . 34081 1 392 . 1 1 71 71 GLY HA2 H 1 4.192 0.009 . 2 . . . . A 71 GLY HA2 . 34081 1 393 . 1 1 71 71 GLY HA3 H 1 3.522 0.008 . 2 . . . . A 71 GLY HA3 . 34081 1 394 . 1 1 72 72 ILE H H 1 8.129 0.001 . 1 . . . . A 72 ILE H . 34081 1 395 . 1 1 72 72 ILE HA H 1 4.212 0.009 . 1 . . . . A 72 ILE HA . 34081 1 396 . 1 1 72 72 ILE HB H 1 2.154 0.002 . 1 . . . . A 72 ILE HB . 34081 1 397 . 1 1 72 72 ILE HG12 H 1 1.534 0.001 . 2 . . . . A 72 ILE HG12 . 34081 1 398 . 1 1 72 72 ILE HG13 H 1 1.039 0.002 . 2 . . . . A 72 ILE HG13 . 34081 1 399 . 1 1 72 72 ILE HG21 H 1 0.542 0.003 . 1 . . . . A 72 ILE HG21 . 34081 1 400 . 1 1 72 72 ILE HG22 H 1 0.542 0.003 . 1 . . . . A 72 ILE HG22 . 34081 1 401 . 1 1 72 72 ILE HG23 H 1 0.542 0.003 . 1 . . . . A 72 ILE HG23 . 34081 1 402 . 1 1 72 72 ILE HD11 H 1 0.812 0.003 . 1 . . . . A 72 ILE HD11 . 34081 1 403 . 1 1 72 72 ILE HD12 H 1 0.812 0.003 . 1 . . . . A 72 ILE HD12 . 34081 1 404 . 1 1 72 72 ILE HD13 H 1 0.812 0.003 . 1 . . . . A 72 ILE HD13 . 34081 1 405 . 1 1 73 73 LEU H H 1 9.330 0.004 . 1 . . . . A 73 LEU H . 34081 1 406 . 1 1 73 73 LEU HA H 1 5.184 0.002 . 1 . . . . A 73 LEU HA . 34081 1 407 . 1 1 73 73 LEU HB2 H 1 2.208 0.007 . 2 . . . . A 73 LEU HB2 . 34081 1 408 . 1 1 73 73 LEU HB3 H 1 1.299 0.003 . 2 . . . . A 73 LEU HB3 . 34081 1 409 . 1 1 73 73 LEU HG H 1 1.521 0.004 . 1 . . . . A 73 LEU HG . 34081 1 410 . 1 1 73 73 LEU HD11 H 1 0.843 0.003 . 2 . . . . A 73 LEU HD11 . 34081 1 411 . 1 1 73 73 LEU HD12 H 1 0.843 0.003 . 2 . . . . A 73 LEU HD12 . 34081 1 412 . 1 1 73 73 LEU HD13 H 1 0.843 0.003 . 2 . . . . A 73 LEU HD13 . 34081 1 413 . 1 1 73 73 LEU HD21 H 1 0.584 0.003 . 2 . . . . A 73 LEU HD21 . 34081 1 414 . 1 1 73 73 LEU HD22 H 1 0.584 0.003 . 2 . . . . A 73 LEU HD22 . 34081 1 415 . 1 1 73 73 LEU HD23 H 1 0.584 0.003 . 2 . . . . A 73 LEU HD23 . 34081 1 416 . 1 1 74 74 HIS H H 1 8.520 0.003 . 1 . . . . A 74 HIS H . 34081 1 417 . 1 1 74 74 HIS HA H 1 4.590 0.007 . 1 . . . . A 74 HIS HA . 34081 1 418 . 1 1 74 74 HIS HB2 H 1 2.983 0.004 . 2 . . . . A 74 HIS HB2 . 34081 1 419 . 1 1 74 74 HIS HB3 H 1 2.675 0.002 . 2 . . . . A 74 HIS HB3 . 34081 1 420 . 1 1 74 74 HIS HD2 H 1 7.095 0.001 . 1 . . . . A 74 HIS HD2 . 34081 1 421 . 1 1 75 75 ALA H H 1 8.406 0.002 . 1 . . . . A 75 ALA H . 34081 1 422 . 1 1 75 75 ALA HA H 1 1.718 0.007 . 1 . . . . A 75 ALA HA . 34081 1 423 . 1 1 75 75 ALA HB1 H 1 -0.057 0.002 . 1 . . . . A 75 ALA HB1 . 34081 1 424 . 1 1 75 75 ALA HB2 H 1 -0.057 0.002 . 1 . . . . A 75 ALA HB2 . 34081 1 425 . 1 1 75 75 ALA HB3 H 1 -0.057 0.002 . 1 . . . . A 75 ALA HB3 . 34081 1 426 . 1 1 76 76 PRO HA H 1 4.268 0.003 . 1 . . . . A 76 PRO HA . 34081 1 427 . 1 1 76 76 PRO HB2 H 1 1.578 0.005 . 2 . . . . A 76 PRO HB2 . 34081 1 428 . 1 1 76 76 PRO HB3 H 1 1.592 0.000 . 2 . . . . A 76 PRO HB3 . 34081 1 429 . 1 1 76 76 PRO HG2 H 1 1.788 0.011 . 2 . . . . A 76 PRO HG2 . 34081 1 430 . 1 1 76 76 PRO HG3 H 1 2.303 0.004 . 2 . . . . A 76 PRO HG3 . 34081 1 431 . 1 1 76 76 PRO HD2 H 1 2.917 0.003 . 2 . . . . A 76 PRO HD2 . 34081 1 432 . 1 1 76 76 PRO HD3 H 1 2.429 0.003 . 2 . . . . A 76 PRO HD3 . 34081 1 433 . 1 1 77 77 ASP H H 1 8.419 0.003 . 1 . . . . A 77 ASP H . 34081 1 434 . 1 1 77 77 ASP HA H 1 4.074 0.004 . 1 . . . . A 77 ASP HA . 34081 1 435 . 1 1 77 77 ASP HB2 H 1 2.618 0.006 . 2 . . . . A 77 ASP HB2 . 34081 1 436 . 1 1 77 77 ASP HB3 H 1 2.495 0.002 . 2 . . . . A 77 ASP HB3 . 34081 1 437 . 1 1 78 78 ALA H H 1 8.026 0.003 . 1 . . . . A 78 ALA H . 34081 1 438 . 1 1 78 78 ALA HA H 1 4.237 0.002 . 1 . . . . A 78 ALA HA . 34081 1 439 . 1 1 78 78 ALA HB1 H 1 1.367 0.001 . 1 . . . . A 78 ALA HB1 . 34081 1 440 . 1 1 78 78 ALA HB2 H 1 1.367 0.001 . 1 . . . . A 78 ALA HB2 . 34081 1 441 . 1 1 78 78 ALA HB3 H 1 1.367 0.001 . 1 . . . . A 78 ALA HB3 . 34081 1 442 . 1 1 79 79 GLY H H 1 7.882 0.001 . 1 . . . . A 79 GLY H . 34081 1 443 . 1 1 79 79 GLY HA2 H 1 4.353 0.001 . 2 . . . . A 79 GLY HA2 . 34081 1 444 . 1 1 79 79 GLY HA3 H 1 3.340 0.004 . 2 . . . . A 79 GLY HA3 . 34081 1 445 . 1 1 80 80 TRP H H 1 8.377 0.001 . 1 . . . . A 80 TRP H . 34081 1 446 . 1 1 80 80 TRP HA H 1 4.508 0.004 . 1 . . . . A 80 TRP HA . 34081 1 447 . 1 1 80 80 TRP HB2 H 1 3.264 0.005 . 2 . . . . A 80 TRP HB2 . 34081 1 448 . 1 1 80 80 TRP HB3 H 1 3.070 0.005 . 2 . . . . A 80 TRP HB3 . 34081 1 449 . 1 1 80 80 TRP HD1 H 1 7.169 0.001 . 1 . . . . A 80 TRP HD1 . 34081 1 450 . 1 1 80 80 TRP HE1 H 1 10.072 0.002 . 1 . . . . A 80 TRP HE1 . 34081 1 451 . 1 1 80 80 TRP HE3 H 1 7.030 0.002 . 1 . . . . A 80 TRP HE3 . 34081 1 452 . 1 1 80 80 TRP HZ2 H 1 6.950 0.002 . 1 . . . . A 80 TRP HZ2 . 34081 1 453 . 1 1 80 80 TRP HZ3 H 1 5.998 0.006 . 1 . . . . A 80 TRP HZ3 . 34081 1 454 . 1 1 80 80 TRP HH2 H 1 6.298 0.004 . 1 . . . . A 80 TRP HH2 . 34081 1 455 . 1 1 81 81 GLY H H 1 8.504 0.001 . 1 . . . . A 81 GLY H . 34081 1 456 . 1 1 81 81 GLY HA2 H 1 3.850 0.001 . 2 . . . . A 81 GLY HA2 . 34081 1 457 . 1 1 81 81 GLY HA3 H 1 3.850 0.001 . 2 . . . . A 81 GLY HA3 . 34081 1 458 . 1 1 82 82 ASN H H 1 8.774 0.002 . 1 . . . . A 82 ASN H . 34081 1 459 . 1 1 82 82 ASN HA H 1 5.052 0.000 . 1 . . . . A 82 ASN HA . 34081 1 460 . 1 1 82 82 ASN HB2 H 1 2.882 0.004 . 2 . . . . A 82 ASN HB2 . 34081 1 461 . 1 1 82 82 ASN HB3 H 1 2.715 0.004 . 2 . . . . A 82 ASN HB3 . 34081 1 462 . 1 1 82 82 ASN HD21 H 1 7.539 0.022 . 2 . . . . A 82 ASN HD21 . 34081 1 463 . 1 1 82 82 ASN HD22 H 1 6.820 0.007 . 2 . . . . A 82 ASN HD22 . 34081 1 464 . 1 1 83 83 LEU H H 1 6.874 0.002 . 1 . . . . A 83 LEU H . 34081 1 465 . 1 1 83 83 LEU HA H 1 4.131 0.006 . 1 . . . . A 83 LEU HA . 34081 1 466 . 1 1 83 83 LEU HB2 H 1 1.439 0.004 . 2 . . . . A 83 LEU HB2 . 34081 1 467 . 1 1 83 83 LEU HB3 H 1 1.060 0.001 . 2 . . . . A 83 LEU HB3 . 34081 1 468 . 1 1 83 83 LEU HG H 1 1.652 0.000 . 1 . . . . A 83 LEU HG . 34081 1 469 . 1 1 83 83 LEU HD11 H 1 0.768 0.001 . 2 . . . . A 83 LEU HD11 . 34081 1 470 . 1 1 83 83 LEU HD12 H 1 0.768 0.001 . 2 . . . . A 83 LEU HD12 . 34081 1 471 . 1 1 83 83 LEU HD13 H 1 0.768 0.001 . 2 . . . . A 83 LEU HD13 . 34081 1 472 . 1 1 83 83 LEU HD21 H 1 0.864 0.001 . 2 . . . . A 83 LEU HD21 . 34081 1 473 . 1 1 83 83 LEU HD22 H 1 0.864 0.001 . 2 . . . . A 83 LEU HD22 . 34081 1 474 . 1 1 83 83 LEU HD23 H 1 0.864 0.001 . 2 . . . . A 83 LEU HD23 . 34081 1 475 . 1 1 84 84 VAL H H 1 7.819 0.001 . 1 . . . . A 84 VAL H . 34081 1 476 . 1 1 84 84 VAL HA H 1 4.048 0.005 . 1 . . . . A 84 VAL HA . 34081 1 477 . 1 1 84 84 VAL HB H 1 1.800 0.002 . 1 . . . . A 84 VAL HB . 34081 1 478 . 1 1 84 84 VAL HG11 H 1 0.851 0.001 . 2 . . . . A 84 VAL HG11 . 34081 1 479 . 1 1 84 84 VAL HG12 H 1 0.851 0.001 . 2 . . . . A 84 VAL HG12 . 34081 1 480 . 1 1 84 84 VAL HG13 H 1 0.851 0.001 . 2 . . . . A 84 VAL HG13 . 34081 1 481 . 1 1 84 84 VAL HG21 H 1 0.724 0.001 . 2 . . . . A 84 VAL HG21 . 34081 1 482 . 1 1 84 84 VAL HG22 H 1 0.724 0.001 . 2 . . . . A 84 VAL HG22 . 34081 1 483 . 1 1 84 84 VAL HG23 H 1 0.724 0.001 . 2 . . . . A 84 VAL HG23 . 34081 1 484 . 1 1 85 85 TYR H H 1 8.868 0.001 . 1 . . . . A 85 TYR H . 34081 1 485 . 1 1 85 85 TYR HA H 1 4.669 0.000 . 1 . . . . A 85 TYR HA . 34081 1 486 . 1 1 85 85 TYR HB2 H 1 2.948 0.007 . 2 . . . . A 85 TYR HB2 . 34081 1 487 . 1 1 85 85 TYR HB3 H 1 2.751 0.003 . 2 . . . . A 85 TYR HB3 . 34081 1 488 . 1 1 85 85 TYR HD1 H 1 7.048 0.002 . 1 . . . . A 85 TYR HD1 . 34081 1 489 . 1 1 85 85 TYR HD2 H 1 7.048 0.002 . 1 . . . . A 85 TYR HD2 . 34081 1 490 . 1 1 85 85 TYR HE1 H 1 6.763 0.003 . 1 . . . . A 85 TYR HE1 . 34081 1 491 . 1 1 85 85 TYR HE2 H 1 6.763 0.003 . 1 . . . . A 85 TYR HE2 . 34081 1 492 . 1 1 86 86 VAL H H 1 9.452 0.002 . 1 . . . . A 86 VAL H . 34081 1 493 . 1 1 86 86 VAL HB H 1 1.602 0.003 . 1 . . . . A 86 VAL HB . 34081 1 494 . 1 1 86 86 VAL HG11 H 1 0.666 0.001 . 2 . . . . A 86 VAL HG11 . 34081 1 495 . 1 1 86 86 VAL HG12 H 1 0.666 0.001 . 2 . . . . A 86 VAL HG12 . 34081 1 496 . 1 1 86 86 VAL HG13 H 1 0.666 0.001 . 2 . . . . A 86 VAL HG13 . 34081 1 497 . 1 1 86 86 VAL HG21 H 1 0.816 0.002 . 2 . . . . A 86 VAL HG21 . 34081 1 498 . 1 1 86 86 VAL HG22 H 1 0.816 0.002 . 2 . . . . A 86 VAL HG22 . 34081 1 499 . 1 1 86 86 VAL HG23 H 1 0.816 0.002 . 2 . . . . A 86 VAL HG23 . 34081 1 500 . 1 1 87 87 VAL H H 1 7.868 0.003 . 1 . . . . A 87 VAL H . 34081 1 501 . 1 1 87 87 VAL HA H 1 3.740 0.001 . 1 . . . . A 87 VAL HA . 34081 1 502 . 1 1 87 87 VAL HB H 1 1.346 0.001 . 1 . . . . A 87 VAL HB . 34081 1 503 . 1 1 87 87 VAL HG11 H 1 0.090 0.003 . 2 . . . . A 87 VAL HG11 . 34081 1 504 . 1 1 87 87 VAL HG12 H 1 0.090 0.003 . 2 . . . . A 87 VAL HG12 . 34081 1 505 . 1 1 87 87 VAL HG13 H 1 0.090 0.003 . 2 . . . . A 87 VAL HG13 . 34081 1 506 . 1 1 87 87 VAL HG21 H 1 0.098 0.001 . 2 . . . . A 87 VAL HG21 . 34081 1 507 . 1 1 87 87 VAL HG22 H 1 0.098 0.001 . 2 . . . . A 87 VAL HG22 . 34081 1 508 . 1 1 87 87 VAL HG23 H 1 0.098 0.001 . 2 . . . . A 87 VAL HG23 . 34081 1 509 . 1 1 88 88 ASN H H 1 7.767 0.003 . 1 . . . . A 88 ASN H . 34081 1 510 . 1 1 88 88 ASN HB2 H 1 2.405 0.005 . 2 . . . . A 88 ASN HB2 . 34081 1 511 . 1 1 88 88 ASN HB3 H 1 2.027 0.003 . 2 . . . . A 88 ASN HB3 . 34081 1 512 . 1 1 88 88 ASN HD21 H 1 6.248 0.004 . 2 . . . . A 88 ASN HD21 . 34081 1 513 . 1 1 88 88 ASN HD22 H 1 7.128 0.001 . 2 . . . . A 88 ASN HD22 . 34081 1 514 . 1 1 89 89 TYR H H 1 8.025 0.000 . 1 . . . . A 89 TYR H . 34081 1 515 . 1 1 89 89 TYR HA H 1 4.491 0.003 . 1 . . . . A 89 TYR HA . 34081 1 516 . 1 1 89 89 TYR HB2 H 1 2.540 0.037 . 2 . . . . A 89 TYR HB2 . 34081 1 517 . 1 1 89 89 TYR HB3 H 1 2.473 0.004 . 2 . . . . A 89 TYR HB3 . 34081 1 518 . 1 1 89 89 TYR HD1 H 1 6.975 0.003 . 1 . . . . A 89 TYR HD1 . 34081 1 519 . 1 1 89 89 TYR HD2 H 1 6.975 0.003 . 1 . . . . A 89 TYR HD2 . 34081 1 520 . 1 1 89 89 TYR HE1 H 1 6.764 0.002 . 1 . . . . A 89 TYR HE1 . 34081 1 521 . 1 1 89 89 TYR HE2 H 1 6.764 0.002 . 1 . . . . A 89 TYR HE2 . 34081 1 522 . 1 1 92 92 ASP H H 1 8.259 0.001 . 1 . . . . A 92 ASP H . 34081 1 523 . 1 1 92 92 ASP HA H 1 4.537 0.001 . 1 . . . . A 92 ASP HA . 34081 1 524 . 1 1 92 92 ASP HB2 H 1 2.680 0.000 . 2 . . . . A 92 ASP HB2 . 34081 1 525 . 1 1 92 92 ASP HB3 H 1 2.680 0.000 . 2 . . . . A 92 ASP HB3 . 34081 1 526 . 1 1 93 93 ASN H H 1 8.124 0.001 . 1 . . . . A 93 ASN H . 34081 1 527 . 1 1 93 93 ASN HA H 1 4.580 0.000 . 1 . . . . A 93 ASN HA . 34081 1 528 . 1 1 93 93 ASN HB2 H 1 2.748 0.002 . 2 . . . . A 93 ASN HB2 . 34081 1 529 . 1 1 93 93 ASN HB3 H 1 2.715 0.002 . 2 . . . . A 93 ASN HB3 . 34081 1 530 . 1 1 94 94 LYS H H 1 8.207 0.000 . 1 . . . . A 94 LYS H . 34081 1 531 . 1 1 94 94 LYS N N 15 4.256 0.000 . 1 . . . . A 94 LYS N . 34081 1 532 . 1 1 95 95 ARG H H 1 8.095 0.001 . 1 . . . . A 95 ARG H . 34081 1 533 . 1 1 95 95 ARG HA H 1 4.197 0.005 . 1 . . . . A 95 ARG HA . 34081 1 534 . 1 1 95 95 ARG HB2 H 1 1.765 0.007 . 2 . . . . A 95 ARG HB2 . 34081 1 535 . 1 1 95 95 ARG HG2 H 1 1.685 0.001 . 2 . . . . A 95 ARG HG2 . 34081 1 536 . 1 1 95 95 ARG HG3 H 1 1.617 0.000 . 2 . . . . A 95 ARG HG3 . 34081 1 537 . 1 1 95 95 ARG HD2 H 1 3.267 0.000 . 2 . . . . A 95 ARG HD2 . 34081 1 538 . 1 1 95 95 ARG HD3 H 1 3.267 0.000 . 2 . . . . A 95 ARG HD3 . 34081 1 539 . 1 1 98 98 ASP H H 1 8.326 0.001 . 1 . . . . A 98 ASP H . 34081 1 540 . 1 1 98 98 ASP HA H 1 4.568 0.000 . 1 . . . . A 98 ASP HA . 34081 1 541 . 1 1 98 98 ASP HB2 H 1 2.651 0.002 . 2 . . . . A 98 ASP HB2 . 34081 1 542 . 1 1 98 98 ASP HB3 H 1 2.651 0.002 . 2 . . . . A 98 ASP HB3 . 34081 1 543 . 1 1 100 100 THR H H 1 8.210 0.000 . 1 . . . . A 100 THR H . 34081 1 544 . 1 1 100 100 THR HG21 H 1 1.157 0.001 . 1 . . . . A 100 THR HG21 . 34081 1 545 . 1 1 100 100 THR HG22 H 1 1.157 0.001 . 1 . . . . A 100 THR HG22 . 34081 1 546 . 1 1 100 100 THR HG23 H 1 1.157 0.001 . 1 . . . . A 100 THR HG23 . 34081 1 547 . 1 1 102 102 ALA H H 1 8.289 0.001 . 1 . . . . A 102 ALA H . 34081 1 548 . 1 1 102 102 ALA HB1 H 1 1.369 0.000 . 1 . . . . A 102 ALA HB1 . 34081 1 549 . 1 1 102 102 ALA HB2 H 1 1.369 0.000 . 1 . . . . A 102 ALA HB2 . 34081 1 550 . 1 1 102 102 ALA HB3 H 1 1.369 0.000 . 1 . . . . A 102 ALA HB3 . 34081 1 551 . 1 1 104 104 SER H H 1 8.091 0.002 . 1 . . . . A 104 SER H . 34081 1 552 . 1 1 104 104 SER HA H 1 4.368 0.006 . 1 . . . . A 104 SER HA . 34081 1 553 . 1 1 104 104 SER HB2 H 1 3.885 0.002 . 2 . . . . A 104 SER HB2 . 34081 1 554 . 1 1 104 104 SER HB3 H 1 3.830 0.000 . 2 . . . . A 104 SER HB3 . 34081 1 555 . 1 1 105 105 ALA H H 1 8.079 0.001 . 1 . . . . A 105 ALA H . 34081 1 556 . 1 1 105 105 ALA HB1 H 1 1.345 0.001 . 1 . . . . A 105 ALA HB1 . 34081 1 557 . 1 1 105 105 ALA HB2 H 1 1.345 0.001 . 1 . . . . A 105 ALA HB2 . 34081 1 558 . 1 1 105 105 ALA HB3 H 1 1.345 0.001 . 1 . . . . A 105 ALA HB3 . 34081 1 559 . 1 1 106 106 VAL H H 1 8.206 0.003 . 1 . . . . A 106 VAL H . 34081 1 560 . 1 1 106 106 VAL HB H 1 2.182 0.001 . 1 . . . . A 106 VAL HB . 34081 1 561 . 1 1 106 106 VAL HG11 H 1 0.893 0.002 . 2 . . . . A 106 VAL HG11 . 34081 1 562 . 1 1 106 106 VAL HG12 H 1 0.893 0.002 . 2 . . . . A 106 VAL HG12 . 34081 1 563 . 1 1 106 106 VAL HG13 H 1 0.893 0.002 . 2 . . . . A 106 VAL HG13 . 34081 1 564 . 1 1 106 106 VAL HG21 H 1 0.734 0.002 . 2 . . . . A 106 VAL HG21 . 34081 1 565 . 1 1 106 106 VAL HG22 H 1 0.734 0.002 . 2 . . . . A 106 VAL HG22 . 34081 1 566 . 1 1 106 106 VAL HG23 H 1 0.734 0.002 . 2 . . . . A 106 VAL HG23 . 34081 1 567 . 1 1 108 108 VAL H H 1 7.983 0.001 . 1 . . . . A 108 VAL H . 34081 1 568 . 1 1 108 108 VAL HA H 1 4.005 0.001 . 1 . . . . A 108 VAL HA . 34081 1 569 . 1 1 108 108 VAL HB H 1 1.985 0.001 . 1 . . . . A 108 VAL HB . 34081 1 570 . 1 1 108 108 VAL HG11 H 1 0.882 0.000 . 2 . . . . A 108 VAL HG11 . 34081 1 571 . 1 1 108 108 VAL HG12 H 1 0.882 0.000 . 2 . . . . A 108 VAL HG12 . 34081 1 572 . 1 1 108 108 VAL HG13 H 1 0.882 0.000 . 2 . . . . A 108 VAL HG13 . 34081 1 573 . 1 1 109 109 LYS H H 1 8.325 0.003 . 1 . . . . A 109 LYS H . 34081 1 574 . 1 1 109 109 LYS HD2 H 1 1.692 0.003 . 2 . . . . A 109 LYS HD2 . 34081 1 575 . 1 1 109 109 LYS HD3 H 1 1.692 0.003 . 2 . . . . A 109 LYS HD3 . 34081 1 576 . 1 1 111 111 ALA H H 1 8.337 0.001 . 1 . . . . A 111 ALA H . 34081 1 577 . 1 1 111 111 ALA HB1 H 1 1.323 0.000 . 1 . . . . A 111 ALA HB1 . 34081 1 578 . 1 1 111 111 ALA HB2 H 1 1.323 0.000 . 1 . . . . A 111 ALA HB2 . 34081 1 579 . 1 1 111 111 ALA HB3 H 1 1.323 0.000 . 1 . . . . A 111 ALA HB3 . 34081 1 580 . 1 1 112 112 VAL H H 1 8.091 0.003 . 1 . . . . A 112 VAL H . 34081 1 581 . 1 1 112 112 VAL HA H 1 4.277 0.003 . 1 . . . . A 112 VAL HA . 34081 1 582 . 1 1 112 112 VAL HB H 1 1.993 0.003 . 1 . . . . A 112 VAL HB . 34081 1 583 . 1 1 112 112 VAL HG11 H 1 0.885 0.005 . 2 . . . . A 112 VAL HG11 . 34081 1 584 . 1 1 112 112 VAL HG12 H 1 0.885 0.005 . 2 . . . . A 112 VAL HG12 . 34081 1 585 . 1 1 112 112 VAL HG13 H 1 0.885 0.005 . 2 . . . . A 112 VAL HG13 . 34081 1 stop_ save_