data_36060 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36060 _Entry.Title ; Solution Structure of the N-terminal Domain of TDP-43 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-02-13 _Entry.Accession_date 2017-05-24 _Entry.Last_release_date 2017-05-23 _Entry.Original_release_date 2017-05-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.99 _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 L. 'Jiang, L.-L.' . . . . 36060 2 W. Xue W. . . . 36060 3 H. 'Hu, H.-Y.' . . . . 36060 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Dimerization . 36060 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36060 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 275 36060 '15N chemical shifts' 78 36060 '1H chemical shifts' 467 36060 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 . . 2017-10-17 2017-02-13 update BMRB 'update entry citation' 36060 1 . . 2017-08-14 2017-02-13 original author 'original release' 36060 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5X4F 'BMRB Entry Tracking System' 36060 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36060 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/s41598-017-06263-3 _Citation.PubMed_ID 28733604 _Citation.Full_citation . _Citation.Title ; The N-terminal dimerization is required for TDP-43 splicing activity. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full 'Scientific reports' _Citation.Journal_volume 7 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2045-2322 _Citation.Journal_CSD 0353 _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 6196 _Citation.Page_last 6196 _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 Lei-Lei Jiang L. L. . . 36060 1 2 Wei Xue W. . . . 36060 1 3 Jun-Ye Hong J. Y. . . 36060 1 4 Jun-Ting Zhang J. T. . . 36060 1 5 Min-Jun Li M. J. . . 36060 1 6 Shao-Ning Yu S. N. . . 36060 1 7 Jian-Hua He J. H. . . 36060 1 8 Hong-Yu Hu H. Y. . . 36060 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36060 _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 . . . . . . 36060 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36060 _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 ; MSEYIRVTEDENDEPIEIPS EDDGTVLLSTVTAQFPGASG LRYRNPVSQSMRGVRLVEGI LHAPDAGWGNLVYVVNY ; _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 77 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'UNP residues 1-77' _Entity.Mutation C39S/C50S _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8502.391 _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 36060 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 1 MET . 36060 1 2 2 SER . 36060 1 3 3 GLU . 36060 1 4 4 TYR . 36060 1 5 5 ILE . 36060 1 6 6 ARG . 36060 1 7 7 VAL . 36060 1 8 8 THR . 36060 1 9 9 GLU . 36060 1 10 10 ASP . 36060 1 11 11 GLU . 36060 1 12 12 ASN . 36060 1 13 13 ASP . 36060 1 14 14 GLU . 36060 1 15 15 PRO . 36060 1 16 16 ILE . 36060 1 17 17 GLU . 36060 1 18 18 ILE . 36060 1 19 19 PRO . 36060 1 20 20 SER . 36060 1 21 21 GLU . 36060 1 22 22 ASP . 36060 1 23 23 ASP . 36060 1 24 24 GLY . 36060 1 25 25 THR . 36060 1 26 26 VAL . 36060 1 27 27 LEU . 36060 1 28 28 LEU . 36060 1 29 29 SER . 36060 1 30 30 THR . 36060 1 31 31 VAL . 36060 1 32 32 THR . 36060 1 33 33 ALA . 36060 1 34 34 GLN . 36060 1 35 35 PHE . 36060 1 36 36 PRO . 36060 1 37 37 GLY . 36060 1 38 38 ALA . 36060 1 39 39 SER . 36060 1 40 40 GLY . 36060 1 41 41 LEU . 36060 1 42 42 ARG . 36060 1 43 43 TYR . 36060 1 44 44 ARG . 36060 1 45 45 ASN . 36060 1 46 46 PRO . 36060 1 47 47 VAL . 36060 1 48 48 SER . 36060 1 49 49 GLN . 36060 1 50 50 SER . 36060 1 51 51 MET . 36060 1 52 52 ARG . 36060 1 53 53 GLY . 36060 1 54 54 VAL . 36060 1 55 55 ARG . 36060 1 56 56 LEU . 36060 1 57 57 VAL . 36060 1 58 58 GLU . 36060 1 59 59 GLY . 36060 1 60 60 ILE . 36060 1 61 61 LEU . 36060 1 62 62 HIS . 36060 1 63 63 ALA . 36060 1 64 64 PRO . 36060 1 65 65 ASP . 36060 1 66 66 ALA . 36060 1 67 67 GLY . 36060 1 68 68 TRP . 36060 1 69 69 GLY . 36060 1 70 70 ASN . 36060 1 71 71 LEU . 36060 1 72 72 VAL . 36060 1 73 73 TYR . 36060 1 74 74 VAL . 36060 1 75 75 VAL . 36060 1 76 76 ASN . 36060 1 77 77 TYR . 36060 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 36060 1 . SER 2 2 36060 1 . GLU 3 3 36060 1 . TYR 4 4 36060 1 . ILE 5 5 36060 1 . ARG 6 6 36060 1 . VAL 7 7 36060 1 . THR 8 8 36060 1 . GLU 9 9 36060 1 . ASP 10 10 36060 1 . GLU 11 11 36060 1 . ASN 12 12 36060 1 . ASP 13 13 36060 1 . GLU 14 14 36060 1 . PRO 15 15 36060 1 . ILE 16 16 36060 1 . GLU 17 17 36060 1 . ILE 18 18 36060 1 . PRO 19 19 36060 1 . SER 20 20 36060 1 . GLU 21 21 36060 1 . ASP 22 22 36060 1 . ASP 23 23 36060 1 . GLY 24 24 36060 1 . THR 25 25 36060 1 . VAL 26 26 36060 1 . LEU 27 27 36060 1 . LEU 28 28 36060 1 . SER 29 29 36060 1 . THR 30 30 36060 1 . VAL 31 31 36060 1 . THR 32 32 36060 1 . ALA 33 33 36060 1 . GLN 34 34 36060 1 . PHE 35 35 36060 1 . PRO 36 36 36060 1 . GLY 37 37 36060 1 . ALA 38 38 36060 1 . SER 39 39 36060 1 . GLY 40 40 36060 1 . LEU 41 41 36060 1 . ARG 42 42 36060 1 . TYR 43 43 36060 1 . ARG 44 44 36060 1 . ASN 45 45 36060 1 . PRO 46 46 36060 1 . VAL 47 47 36060 1 . SER 48 48 36060 1 . GLN 49 49 36060 1 . SER 50 50 36060 1 . MET 51 51 36060 1 . ARG 52 52 36060 1 . GLY 53 53 36060 1 . VAL 54 54 36060 1 . ARG 55 55 36060 1 . LEU 56 56 36060 1 . VAL 57 57 36060 1 . GLU 58 58 36060 1 . GLY 59 59 36060 1 . ILE 60 60 36060 1 . LEU 61 61 36060 1 . HIS 62 62 36060 1 . ALA 63 63 36060 1 . PRO 64 64 36060 1 . ASP 65 65 36060 1 . ALA 66 66 36060 1 . GLY 67 67 36060 1 . TRP 68 68 36060 1 . GLY 69 69 36060 1 . ASN 70 70 36060 1 . LEU 71 71 36060 1 . VAL 72 72 36060 1 . TYR 73 73 36060 1 . VAL 74 74 36060 1 . VAL 75 75 36060 1 . ASN 76 76 36060 1 . TYR 77 77 36060 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 36060 _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' . 36060 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 36060 _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 . . . vector . . . . . . 36060 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36060 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1 mM U-99% 13C; U-99% 15N TDP(1-77)-GB1-C39/C50S, 20 mM sodium phosphate, 50 mM sodium chloride, 0.05 v/v sodium azide, 90 % H2O, 10 % D2O, 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(1-77)-GB1-C39/C50S 'U-99% 13C; U-99% 15N' . . 1 $entity_1 . protein 1 . . mM . . . . 36060 1 2 'sodium azide' 'natural abundance' . . . . . . 0.05 . . v/v . . . . 36060 1 3 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 36060 1 4 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 36060 1 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36060 1 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36060 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 36060 _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' 0.08 . M 36060 1 pH 6.5 . pH 36060 1 pressure 1 . atm 36060 1 temperature 298 . K 36060 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36060 _Software.ID 1 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 36060 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 36060 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36060 _Software.ID 2 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 36060 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 36060 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36060 _Software.ID 3 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 36060 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 36060 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36060 _Software.ID 4 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36060 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 36060 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 36060 _Software.ID 5 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 36060 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 36060 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 36060 _Software.ID 6 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 36060 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 36060 6 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 36060 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 36060 _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 Avance . 600 . . . 36060 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 36060 _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 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36060 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36060 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36060 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36060 1 5 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36060 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36060 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36060 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36060 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36060 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 36060 _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 na indirect 0.251449530 . . . . . 36060 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.000000000 . . . . . 36060 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 36060 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 36060 _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-15N HSQC' 1 $sample_1 isotropic 36060 1 2 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36060 1 3 '3D HNCO' 1 $sample_1 isotropic 36060 1 4 '3D HNCACB' 1 $sample_1 isotropic 36060 1 5 '3D HNHA' 1 $sample_1 isotropic 36060 1 6 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 36060 1 7 '3D C(CO)NH' 1 $sample_1 isotropic 36060 1 8 '3D HCCH-TOCSY' 1 $sample_1 isotropic 36060 1 9 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36060 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER C C 13 171.733 0.000 . . . . . A 2 SER C . 36060 1 2 . 1 1 2 2 SER CA C 13 57.583 0.054 . . . . . A 2 SER CA . 36060 1 3 . 1 1 2 2 SER CB C 13 65.338 0.070 . . . . . A 2 SER CB . 36060 1 4 . 1 1 3 3 GLU H H 1 8.188 0.006 . . . . . A 3 GLU H . 36060 1 5 . 1 1 3 3 GLU HA H 1 4.824 0.013 . . . . . A 3 GLU HA . 36060 1 6 . 1 1 3 3 GLU HB2 H 1 1.929 0.008 . . . . . A 3 GLU HB2 . 36060 1 7 . 1 1 3 3 GLU HG2 H 1 2.312 0.006 . . . . . A 3 GLU HG2 . 36060 1 8 . 1 1 3 3 GLU C C 13 176.079 0.000 . . . . . A 3 GLU C . 36060 1 9 . 1 1 3 3 GLU CA C 13 55.626 0.147 . . . . . A 3 GLU CA . 36060 1 10 . 1 1 3 3 GLU CB C 13 30.827 0.219 . . . . . A 3 GLU CB . 36060 1 11 . 1 1 3 3 GLU CG C 13 36.115 0.024 . . . . . A 3 GLU CG . 36060 1 12 . 1 1 3 3 GLU N N 15 120.715 0.032 . . . . . A 3 GLU N . 36060 1 13 . 1 1 4 4 TYR H H 1 8.349 0.009 . . . . . A 4 TYR H . 36060 1 14 . 1 1 4 4 TYR HA H 1 4.494 0.019 . . . . . A 4 TYR HA . 36060 1 15 . 1 1 4 4 TYR HB2 H 1 2.939 0.000 . . . . . A 4 TYR HB2 . 36060 1 16 . 1 1 4 4 TYR HD1 H 1 6.930 0.000 . . . . . A 4 TYR HD1 . 36060 1 17 . 1 1 4 4 TYR HE1 H 1 6.627 0.014 . . . . . A 4 TYR HE1 . 36060 1 18 . 1 1 4 4 TYR C C 13 175.569 0.000 . . . . . A 4 TYR C . 36060 1 19 . 1 1 4 4 TYR CA C 13 56.892 0.105 . . . . . A 4 TYR CA . 36060 1 20 . 1 1 4 4 TYR CB C 13 41.119 0.050 . . . . . A 4 TYR CB . 36060 1 21 . 1 1 4 4 TYR N N 15 119.337 0.067 . . . . . A 4 TYR N . 36060 1 22 . 1 1 5 5 ILE H H 1 8.905 0.010 . . . . . A 5 ILE H . 36060 1 23 . 1 1 5 5 ILE HA H 1 4.549 0.007 . . . . . A 5 ILE HA . 36060 1 24 . 1 1 5 5 ILE HB H 1 1.363 0.010 . . . . . A 5 ILE HB . 36060 1 25 . 1 1 5 5 ILE HG12 H 1 -0.239 0.006 . . . . . A 5 ILE HG12 . 36060 1 26 . 1 1 5 5 ILE HG21 H 1 -0.236 0.002 . . . . . A 5 ILE HG21 . 36060 1 27 . 1 1 5 5 ILE HG22 H 1 -0.236 0.002 . . . . . A 5 ILE HG22 . 36060 1 28 . 1 1 5 5 ILE HG23 H 1 -0.236 0.002 . . . . . A 5 ILE HG23 . 36060 1 29 . 1 1 5 5 ILE HD11 H 1 -0.522 0.008 . . . . . A 5 ILE HD11 . 36060 1 30 . 1 1 5 5 ILE HD12 H 1 -0.522 0.008 . . . . . A 5 ILE HD12 . 36060 1 31 . 1 1 5 5 ILE HD13 H 1 -0.522 0.008 . . . . . A 5 ILE HD13 . 36060 1 32 . 1 1 5 5 ILE C C 13 175.099 0.000 . . . . . A 5 ILE C . 36060 1 33 . 1 1 5 5 ILE CA C 13 59.335 0.120 . . . . . A 5 ILE CA . 36060 1 34 . 1 1 5 5 ILE CB C 13 40.486 0.078 . . . . . A 5 ILE CB . 36060 1 35 . 1 1 5 5 ILE CG1 C 13 27.159 0.000 . . . . . A 5 ILE CG1 . 36060 1 36 . 1 1 5 5 ILE CG2 C 13 17.286 0.241 . . . . . A 5 ILE CG2 . 36060 1 37 . 1 1 5 5 ILE N N 15 116.770 0.039 . . . . . A 5 ILE N . 36060 1 38 . 1 1 6 6 ARG H H 1 8.236 0.006 . . . . . A 6 ARG H . 36060 1 39 . 1 1 6 6 ARG HA H 1 4.971 0.021 . . . . . A 6 ARG HA . 36060 1 40 . 1 1 6 6 ARG HB2 H 1 1.845 0.011 . . . . . A 6 ARG HB2 . 36060 1 41 . 1 1 6 6 ARG HB3 H 1 1.620 0.017 . . . . . A 6 ARG HB3 . 36060 1 42 . 1 1 6 6 ARG HG2 H 1 1.398 0.011 . . . . . A 6 ARG HG2 . 36060 1 43 . 1 1 6 6 ARG HD2 H 1 3.109 0.013 . . . . . A 6 ARG HD2 . 36060 1 44 . 1 1 6 6 ARG HD3 H 1 3.007 0.010 . . . . . A 6 ARG HD3 . 36060 1 45 . 1 1 6 6 ARG HE H 1 7.116 0.013 . . . . . A 6 ARG HE . 36060 1 46 . 1 1 6 6 ARG C C 13 172.404 0.000 . . . . . A 6 ARG C . 36060 1 47 . 1 1 6 6 ARG CA C 13 55.774 0.064 . . . . . A 6 ARG CA . 36060 1 48 . 1 1 6 6 ARG CB C 13 31.388 0.048 . . . . . A 6 ARG CB . 36060 1 49 . 1 1 6 6 ARG CG C 13 27.637 0.072 . . . . . A 6 ARG CG . 36060 1 50 . 1 1 6 6 ARG CD C 13 43.882 0.084 . . . . . A 6 ARG CD . 36060 1 51 . 1 1 6 6 ARG CZ C 13 159.501 0.000 . . . . . A 6 ARG CZ . 36060 1 52 . 1 1 6 6 ARG N N 15 121.316 0.051 . . . . . A 6 ARG N . 36060 1 53 . 1 1 6 6 ARG NE N 15 84.661 0.023 . . . . . A 6 ARG NE . 36060 1 54 . 1 1 7 7 VAL H H 1 8.975 0.011 . . . . . A 7 VAL H . 36060 1 55 . 1 1 7 7 VAL HA H 1 5.491 0.025 . . . . . A 7 VAL HA . 36060 1 56 . 1 1 7 7 VAL HB H 1 1.724 0.018 . . . . . A 7 VAL HB . 36060 1 57 . 1 1 7 7 VAL HG11 H 1 0.559 0.006 . . . . . A 7 VAL HG11 . 36060 1 58 . 1 1 7 7 VAL HG12 H 1 0.559 0.006 . . . . . A 7 VAL HG12 . 36060 1 59 . 1 1 7 7 VAL HG13 H 1 0.559 0.006 . . . . . A 7 VAL HG13 . 36060 1 60 . 1 1 7 7 VAL HG21 H 1 0.739 0.009 . . . . . A 7 VAL HG21 . 36060 1 61 . 1 1 7 7 VAL HG22 H 1 0.739 0.009 . . . . . A 7 VAL HG22 . 36060 1 62 . 1 1 7 7 VAL HG23 H 1 0.739 0.009 . . . . . A 7 VAL HG23 . 36060 1 63 . 1 1 7 7 VAL C C 13 173.854 0.000 . . . . . A 7 VAL C . 36060 1 64 . 1 1 7 7 VAL CA C 13 59.668 0.058 . . . . . A 7 VAL CA . 36060 1 65 . 1 1 7 7 VAL CB C 13 35.548 0.070 . . . . . A 7 VAL CB . 36060 1 66 . 1 1 7 7 VAL CG1 C 13 23.957 0.046 . . . . . A 7 VAL CG1 . 36060 1 67 . 1 1 7 7 VAL CG2 C 13 22.604 0.062 . . . . . A 7 VAL CG2 . 36060 1 68 . 1 1 7 7 VAL N N 15 121.795 0.067 . . . . . A 7 VAL N . 36060 1 69 . 1 1 8 8 THR H H 1 8.638 0.008 . . . . . A 8 THR H . 36060 1 70 . 1 1 8 8 THR HA H 1 4.992 0.018 . . . . . A 8 THR HA . 36060 1 71 . 1 1 8 8 THR HB H 1 3.660 0.011 . . . . . A 8 THR HB . 36060 1 72 . 1 1 8 8 THR HG21 H 1 0.824 0.015 . . . . . A 8 THR HG21 . 36060 1 73 . 1 1 8 8 THR HG22 H 1 0.824 0.015 . . . . . A 8 THR HG22 . 36060 1 74 . 1 1 8 8 THR HG23 H 1 0.824 0.015 . . . . . A 8 THR HG23 . 36060 1 75 . 1 1 8 8 THR C C 13 171.824 0.000 . . . . . A 8 THR C . 36060 1 76 . 1 1 8 8 THR CA C 13 57.832 0.031 . . . . . A 8 THR CA . 36060 1 77 . 1 1 8 8 THR CB C 13 71.587 0.099 . . . . . A 8 THR CB . 36060 1 78 . 1 1 8 8 THR CG2 C 13 20.780 0.041 . . . . . A 8 THR CG2 . 36060 1 79 . 1 1 8 8 THR N N 15 117.935 0.029 . . . . . A 8 THR N . 36060 1 80 . 1 1 9 9 GLU H H 1 8.727 0.006 . . . . . A 9 GLU H . 36060 1 81 . 1 1 9 9 GLU HA H 1 4.190 0.009 . . . . . A 9 GLU HA . 36060 1 82 . 1 1 9 9 GLU HB2 H 1 2.150 0.011 . . . . . A 9 GLU HB2 . 36060 1 83 . 1 1 9 9 GLU HB3 H 1 2.049 0.009 . . . . . A 9 GLU HB3 . 36060 1 84 . 1 1 9 9 GLU HG2 H 1 2.256 0.018 . . . . . A 9 GLU HG2 . 36060 1 85 . 1 1 9 9 GLU HG3 H 1 2.159 0.008 . . . . . A 9 GLU HG3 . 36060 1 86 . 1 1 9 9 GLU C C 13 175.686 0.000 . . . . . A 9 GLU C . 36060 1 87 . 1 1 9 9 GLU CA C 13 57.399 0.076 . . . . . A 9 GLU CA . 36060 1 88 . 1 1 9 9 GLU CB C 13 30.835 0.049 . . . . . A 9 GLU CB . 36060 1 89 . 1 1 9 9 GLU CG C 13 37.314 0.063 . . . . . A 9 GLU CG . 36060 1 90 . 1 1 9 9 GLU N N 15 123.198 0.041 . . . . . A 9 GLU N . 36060 1 91 . 1 1 10 10 ASP H H 1 7.913 0.011 . . . . . A 10 ASP H . 36060 1 92 . 1 1 10 10 ASP HA H 1 4.582 0.012 . . . . . A 10 ASP HA . 36060 1 93 . 1 1 10 10 ASP HB2 H 1 2.640 0.008 . . . . . A 10 ASP HB2 . 36060 1 94 . 1 1 10 10 ASP HB3 H 1 2.460 0.007 . . . . . A 10 ASP HB3 . 36060 1 95 . 1 1 10 10 ASP C C 13 176.325 0.000 . . . . . A 10 ASP C . 36060 1 96 . 1 1 10 10 ASP CA C 13 53.428 0.073 . . . . . A 10 ASP CA . 36060 1 97 . 1 1 10 10 ASP CB C 13 44.433 0.067 . . . . . A 10 ASP CB . 36060 1 98 . 1 1 10 10 ASP N N 15 119.396 0.044 . . . . . A 10 ASP N . 36060 1 99 . 1 1 11 11 GLU H H 1 9.206 0.011 . . . . . A 11 GLU H . 36060 1 100 . 1 1 11 11 GLU HA H 1 3.815 0.005 . . . . . A 11 GLU HA . 36060 1 101 . 1 1 11 11 GLU HB2 H 1 1.921 0.010 . . . . . A 11 GLU HB2 . 36060 1 102 . 1 1 11 11 GLU HB3 H 1 1.884 0.000 . . . . . A 11 GLU HB3 . 36060 1 103 . 1 1 11 11 GLU HG2 H 1 2.080 0.009 . . . . . A 11 GLU HG2 . 36060 1 104 . 1 1 11 11 GLU C C 13 176.136 0.000 . . . . . A 11 GLU C . 36060 1 105 . 1 1 11 11 GLU CA C 13 59.507 0.071 . . . . . A 11 GLU CA . 36060 1 106 . 1 1 11 11 GLU CB C 13 29.989 0.063 . . . . . A 11 GLU CB . 36060 1 107 . 1 1 11 11 GLU CG C 13 37.413 0.020 . . . . . A 11 GLU CG . 36060 1 108 . 1 1 11 11 GLU N N 15 126.489 0.037 . . . . . A 11 GLU N . 36060 1 109 . 1 1 12 12 ASN H H 1 9.045 0.006 . . . . . A 12 ASN H . 36060 1 110 . 1 1 12 12 ASN HA H 1 4.627 0.010 . . . . . A 12 ASN HA . 36060 1 111 . 1 1 12 12 ASN HB2 H 1 2.751 0.013 . . . . . A 12 ASN HB2 . 36060 1 112 . 1 1 12 12 ASN HB3 H 1 2.581 0.014 . . . . . A 12 ASN HB3 . 36060 1 113 . 1 1 12 12 ASN HD21 H 1 6.563 0.007 . . . . . A 12 ASN HD21 . 36060 1 114 . 1 1 12 12 ASN HD22 H 1 6.345 0.005 . . . . . A 12 ASN HD22 . 36060 1 115 . 1 1 12 12 ASN C C 13 179.120 0.000 . . . . . A 12 ASN C . 36060 1 116 . 1 1 12 12 ASN CA C 13 53.891 0.161 . . . . . A 12 ASN CA . 36060 1 117 . 1 1 12 12 ASN CB C 13 39.101 0.039 . . . . . A 12 ASN CB . 36060 1 118 . 1 1 12 12 ASN N N 15 116.939 0.034 . . . . . A 12 ASN N . 36060 1 119 . 1 1 12 12 ASN ND2 N 15 115.441 0.049 . . . . . A 12 ASN ND2 . 36060 1 120 . 1 1 13 13 ASP H H 1 7.999 0.012 . . . . . A 13 ASP H . 36060 1 121 . 1 1 13 13 ASP HA H 1 4.829 0.017 . . . . . A 13 ASP HA . 36060 1 122 . 1 1 13 13 ASP HB2 H 1 2.658 0.018 . . . . . A 13 ASP HB2 . 36060 1 123 . 1 1 13 13 ASP HB3 H 1 2.502 0.006 . . . . . A 13 ASP HB3 . 36060 1 124 . 1 1 13 13 ASP C C 13 175.784 0.000 . . . . . A 13 ASP C . 36060 1 125 . 1 1 13 13 ASP CA C 13 52.889 0.171 . . . . . A 13 ASP CA . 36060 1 126 . 1 1 13 13 ASP CB C 13 42.240 0.038 . . . . . A 13 ASP CB . 36060 1 127 . 1 1 13 13 ASP N N 15 121.091 0.053 . . . . . A 13 ASP N . 36060 1 128 . 1 1 14 14 GLU H H 1 8.575 0.006 . . . . . A 14 GLU H . 36060 1 129 . 1 1 14 14 GLU HA H 1 4.411 0.009 . . . . . A 14 GLU HA . 36060 1 130 . 1 1 14 14 GLU HB2 H 1 1.926 0.008 . . . . . A 14 GLU HB2 . 36060 1 131 . 1 1 14 14 GLU HB3 H 1 1.862 0.000 . . . . . A 14 GLU HB3 . 36060 1 132 . 1 1 14 14 GLU HG2 H 1 2.318 0.005 . . . . . A 14 GLU HG2 . 36060 1 133 . 1 1 14 14 GLU HG3 H 1 2.158 0.000 . . . . . A 14 GLU HG3 . 36060 1 134 . 1 1 14 14 GLU CA C 13 54.186 0.051 . . . . . A 14 GLU CA . 36060 1 135 . 1 1 14 14 GLU CB C 13 29.743 0.090 . . . . . A 14 GLU CB . 36060 1 136 . 1 1 14 14 GLU N N 15 123.104 0.025 . . . . . A 14 GLU N . 36060 1 137 . 1 1 15 15 PRO HA H 1 4.673 0.014 . . . . . A 15 PRO HA . 36060 1 138 . 1 1 15 15 PRO HB2 H 1 2.038 0.018 . . . . . A 15 PRO HB2 . 36060 1 139 . 1 1 15 15 PRO HG2 H 1 1.905 0.011 . . . . . A 15 PRO HG2 . 36060 1 140 . 1 1 15 15 PRO HG3 H 1 1.823 0.013 . . . . . A 15 PRO HG3 . 36060 1 141 . 1 1 15 15 PRO HD2 H 1 3.961 0.014 . . . . . A 15 PRO HD2 . 36060 1 142 . 1 1 15 15 PRO HD3 H 1 3.616 0.013 . . . . . A 15 PRO HD3 . 36060 1 143 . 1 1 15 15 PRO CA C 13 62.334 0.063 . . . . . A 15 PRO CA . 36060 1 144 . 1 1 15 15 PRO CB C 13 33.723 0.041 . . . . . A 15 PRO CB . 36060 1 145 . 1 1 15 15 PRO CG C 13 27.236 0.042 . . . . . A 15 PRO CG . 36060 1 146 . 1 1 15 15 PRO CD C 13 50.823 0.045 . . . . . A 15 PRO CD . 36060 1 147 . 1 1 16 16 ILE H H 1 9.141 0.009 . . . . . A 16 ILE H . 36060 1 148 . 1 1 16 16 ILE HA H 1 4.456 0.008 . . . . . A 16 ILE HA . 36060 1 149 . 1 1 16 16 ILE HB H 1 1.886 0.011 . . . . . A 16 ILE HB . 36060 1 150 . 1 1 16 16 ILE HG12 H 1 1.442 0.019 . . . . . A 16 ILE HG12 . 36060 1 151 . 1 1 16 16 ILE HG13 H 1 1.316 0.009 . . . . . A 16 ILE HG13 . 36060 1 152 . 1 1 16 16 ILE HG21 H 1 0.876 0.007 . . . . . A 16 ILE HG21 . 36060 1 153 . 1 1 16 16 ILE HG22 H 1 0.876 0.007 . . . . . A 16 ILE HG22 . 36060 1 154 . 1 1 16 16 ILE HG23 H 1 0.876 0.007 . . . . . A 16 ILE HG23 . 36060 1 155 . 1 1 16 16 ILE HD11 H 1 0.719 0.007 . . . . . A 16 ILE HD11 . 36060 1 156 . 1 1 16 16 ILE HD12 H 1 0.719 0.007 . . . . . A 16 ILE HD12 . 36060 1 157 . 1 1 16 16 ILE HD13 H 1 0.719 0.007 . . . . . A 16 ILE HD13 . 36060 1 158 . 1 1 16 16 ILE C C 13 174.716 0.000 . . . . . A 16 ILE C . 36060 1 159 . 1 1 16 16 ILE CA C 13 59.442 0.047 . . . . . A 16 ILE CA . 36060 1 160 . 1 1 16 16 ILE CB C 13 40.517 0.070 . . . . . A 16 ILE CB . 36060 1 161 . 1 1 16 16 ILE CG1 C 13 26.845 0.153 . . . . . A 16 ILE CG1 . 36060 1 162 . 1 1 16 16 ILE CG2 C 13 17.831 0.127 . . . . . A 16 ILE CG2 . 36060 1 163 . 1 1 16 16 ILE N N 15 118.389 0.031 . . . . . A 16 ILE N . 36060 1 164 . 1 1 17 17 GLU H H 1 8.601 0.011 . . . . . A 17 GLU H . 36060 1 165 . 1 1 17 17 GLU HA H 1 4.406 0.005 . . . . . A 17 GLU HA . 36060 1 166 . 1 1 17 17 GLU HB2 H 1 1.973 0.014 . . . . . A 17 GLU HB2 . 36060 1 167 . 1 1 17 17 GLU HB3 H 1 1.750 0.009 . . . . . A 17 GLU HB3 . 36060 1 168 . 1 1 17 17 GLU HG2 H 1 2.171 0.001 . . . . . A 17 GLU HG2 . 36060 1 169 . 1 1 17 17 GLU HG3 H 1 2.123 0.010 . . . . . A 17 GLU HG3 . 36060 1 170 . 1 1 17 17 GLU C C 13 174.949 0.000 . . . . . A 17 GLU C . 36060 1 171 . 1 1 17 17 GLU CA C 13 55.501 0.103 . . . . . A 17 GLU CA . 36060 1 172 . 1 1 17 17 GLU CB C 13 31.347 0.072 . . . . . A 17 GLU CB . 36060 1 173 . 1 1 17 17 GLU CG C 13 36.172 0.084 . . . . . A 17 GLU CG . 36060 1 174 . 1 1 17 17 GLU N N 15 123.254 0.027 . . . . . A 17 GLU N . 36060 1 175 . 1 1 18 18 ILE H H 1 8.358 0.006 . . . . . A 18 ILE H . 36060 1 176 . 1 1 18 18 ILE HA H 1 4.966 0.026 . . . . . A 18 ILE HA . 36060 1 177 . 1 1 18 18 ILE HB H 1 1.878 0.009 . . . . . A 18 ILE HB . 36060 1 178 . 1 1 18 18 ILE HG12 H 1 1.329 0.000 . . . . . A 18 ILE HG12 . 36060 1 179 . 1 1 18 18 ILE HG21 H 1 0.877 0.002 . . . . . A 18 ILE HG21 . 36060 1 180 . 1 1 18 18 ILE HG22 H 1 0.877 0.002 . . . . . A 18 ILE HG22 . 36060 1 181 . 1 1 18 18 ILE HG23 H 1 0.877 0.002 . . . . . A 18 ILE HG23 . 36060 1 182 . 1 1 18 18 ILE HD11 H 1 0.715 0.003 . . . . . A 18 ILE HD11 . 36060 1 183 . 1 1 18 18 ILE HD12 H 1 0.715 0.003 . . . . . A 18 ILE HD12 . 36060 1 184 . 1 1 18 18 ILE HD13 H 1 0.715 0.003 . . . . . A 18 ILE HD13 . 36060 1 185 . 1 1 18 18 ILE CA C 13 57.228 0.002 . . . . . A 18 ILE CA . 36060 1 186 . 1 1 18 18 ILE CB C 13 41.134 0.016 . . . . . A 18 ILE CB . 36060 1 187 . 1 1 18 18 ILE N N 15 119.617 0.064 . . . . . A 18 ILE N . 36060 1 188 . 1 1 19 19 PRO HD2 H 1 3.632 0.000 . . . . . A 19 PRO HD2 . 36060 1 189 . 1 1 19 19 PRO C C 13 175.564 0.000 . . . . . A 19 PRO C . 36060 1 190 . 1 1 19 19 PRO CA C 13 62.559 0.116 . . . . . A 19 PRO CA . 36060 1 191 . 1 1 19 19 PRO CB C 13 32.330 0.104 . . . . . A 19 PRO CB . 36060 1 192 . 1 1 19 19 PRO CG C 13 27.259 0.000 . . . . . A 19 PRO CG . 36060 1 193 . 1 1 20 20 SER H H 1 7.895 0.010 . . . . . A 20 SER H . 36060 1 194 . 1 1 20 20 SER HA H 1 4.510 0.019 . . . . . A 20 SER HA . 36060 1 195 . 1 1 20 20 SER HB2 H 1 3.848 0.007 . . . . . A 20 SER HB2 . 36060 1 196 . 1 1 20 20 SER HB3 H 1 3.122 0.007 . . . . . A 20 SER HB3 . 36060 1 197 . 1 1 20 20 SER C C 13 175.212 0.000 . . . . . A 20 SER C . 36060 1 198 . 1 1 20 20 SER CA C 13 56.256 0.025 . . . . . A 20 SER CA . 36060 1 199 . 1 1 20 20 SER CB C 13 65.461 0.077 . . . . . A 20 SER CB . 36060 1 200 . 1 1 20 20 SER N N 15 114.037 0.069 . . . . . A 20 SER N . 36060 1 201 . 1 1 21 21 GLU H H 1 9.269 0.008 . . . . . A 21 GLU H . 36060 1 202 . 1 1 21 21 GLU HA H 1 4.204 0.011 . . . . . A 21 GLU HA . 36060 1 203 . 1 1 21 21 GLU HB2 H 1 2.091 0.018 . . . . . A 21 GLU HB2 . 36060 1 204 . 1 1 21 21 GLU HG2 H 1 2.265 0.008 . . . . . A 21 GLU HG2 . 36060 1 205 . 1 1 21 21 GLU C C 13 179.042 0.000 . . . . . A 21 GLU C . 36060 1 206 . 1 1 21 21 GLU CA C 13 54.662 0.080 . . . . . A 21 GLU CA . 36060 1 207 . 1 1 21 21 GLU CB C 13 30.755 0.065 . . . . . A 21 GLU CB . 36060 1 208 . 1 1 21 21 GLU CG C 13 37.064 0.017 . . . . . A 21 GLU CG . 36060 1 209 . 1 1 21 21 GLU N N 15 118.533 0.023 . . . . . A 21 GLU N . 36060 1 210 . 1 1 22 22 ASP H H 1 9.062 0.008 . . . . . A 22 ASP H . 36060 1 211 . 1 1 22 22 ASP HA H 1 4.255 0.010 . . . . . A 22 ASP HA . 36060 1 212 . 1 1 22 22 ASP HB2 H 1 2.582 0.017 . . . . . A 22 ASP HB2 . 36060 1 213 . 1 1 22 22 ASP HB3 H 1 2.493 0.007 . . . . . A 22 ASP HB3 . 36060 1 214 . 1 1 22 22 ASP C C 13 176.809 0.000 . . . . . A 22 ASP C . 36060 1 215 . 1 1 22 22 ASP CA C 13 57.277 0.113 . . . . . A 22 ASP CA . 36060 1 216 . 1 1 22 22 ASP CB C 13 39.955 0.045 . . . . . A 22 ASP CB . 36060 1 217 . 1 1 22 22 ASP N N 15 122.922 0.050 . . . . . A 22 ASP N . 36060 1 218 . 1 1 23 23 ASP H H 1 7.674 0.009 . . . . . A 23 ASP H . 36060 1 219 . 1 1 23 23 ASP HA H 1 4.428 0.008 . . . . . A 23 ASP HA . 36060 1 220 . 1 1 23 23 ASP HB2 H 1 3.023 0.012 . . . . . A 23 ASP HB2 . 36060 1 221 . 1 1 23 23 ASP HB3 H 1 2.502 0.008 . . . . . A 23 ASP HB3 . 36060 1 222 . 1 1 23 23 ASP C C 13 177.507 0.000 . . . . . A 23 ASP C . 36060 1 223 . 1 1 23 23 ASP CA C 13 53.027 0.084 . . . . . A 23 ASP CA . 36060 1 224 . 1 1 23 23 ASP CB C 13 39.879 0.062 . . . . . A 23 ASP CB . 36060 1 225 . 1 1 23 23 ASP N N 15 116.008 0.025 . . . . . A 23 ASP N . 36060 1 226 . 1 1 24 24 GLY H H 1 8.126 0.009 . . . . . A 24 GLY H . 36060 1 227 . 1 1 24 24 GLY HA2 H 1 4.333 0.008 . . . . . A 24 GLY HA2 . 36060 1 228 . 1 1 24 24 GLY HA3 H 1 3.874 0.014 . . . . . A 24 GLY HA3 . 36060 1 229 . 1 1 24 24 GLY C C 13 175.604 0.000 . . . . . A 24 GLY C . 36060 1 230 . 1 1 24 24 GLY CA C 13 45.556 0.048 . . . . . A 24 GLY CA . 36060 1 231 . 1 1 24 24 GLY N N 15 107.780 0.034 . . . . . A 24 GLY N . 36060 1 232 . 1 1 25 25 THR H H 1 7.892 0.007 . . . . . A 25 THR H . 36060 1 233 . 1 1 25 25 THR HA H 1 4.728 0.007 . . . . . A 25 THR HA . 36060 1 234 . 1 1 25 25 THR HB H 1 3.941 0.004 . . . . . A 25 THR HB . 36060 1 235 . 1 1 25 25 THR HG21 H 1 0.735 0.010 . . . . . A 25 THR HG21 . 36060 1 236 . 1 1 25 25 THR HG22 H 1 0.735 0.010 . . . . . A 25 THR HG22 . 36060 1 237 . 1 1 25 25 THR HG23 H 1 0.735 0.010 . . . . . A 25 THR HG23 . 36060 1 238 . 1 1 25 25 THR C C 13 172.584 0.000 . . . . . A 25 THR C . 36060 1 239 . 1 1 25 25 THR CA C 13 61.584 0.043 . . . . . A 25 THR CA . 36060 1 240 . 1 1 25 25 THR CB C 13 71.090 0.091 . . . . . A 25 THR CB . 36060 1 241 . 1 1 25 25 THR CG2 C 13 21.669 0.029 . . . . . A 25 THR CG2 . 36060 1 242 . 1 1 25 25 THR N N 15 114.023 0.127 . . . . . A 25 THR N . 36060 1 243 . 1 1 26 26 VAL H H 1 8.495 0.009 . . . . . A 26 VAL H . 36060 1 244 . 1 1 26 26 VAL HA H 1 4.300 0.011 . . . . . A 26 VAL HA . 36060 1 245 . 1 1 26 26 VAL HB H 1 1.397 0.006 . . . . . A 26 VAL HB . 36060 1 246 . 1 1 26 26 VAL HG11 H 1 -0.006 0.009 . . . . . A 26 VAL HG11 . 36060 1 247 . 1 1 26 26 VAL HG12 H 1 -0.006 0.009 . . . . . A 26 VAL HG12 . 36060 1 248 . 1 1 26 26 VAL HG13 H 1 -0.006 0.009 . . . . . A 26 VAL HG13 . 36060 1 249 . 1 1 26 26 VAL HG21 H 1 0.428 0.003 . . . . . A 26 VAL HG21 . 36060 1 250 . 1 1 26 26 VAL HG22 H 1 0.428 0.003 . . . . . A 26 VAL HG22 . 36060 1 251 . 1 1 26 26 VAL HG23 H 1 0.428 0.003 . . . . . A 26 VAL HG23 . 36060 1 252 . 1 1 26 26 VAL C C 13 175.223 0.000 . . . . . A 26 VAL C . 36060 1 253 . 1 1 26 26 VAL CA C 13 60.928 0.191 . . . . . A 26 VAL CA . 36060 1 254 . 1 1 26 26 VAL CB C 13 35.255 0.047 . . . . . A 26 VAL CB . 36060 1 255 . 1 1 26 26 VAL CG1 C 13 21.785 0.054 . . . . . A 26 VAL CG1 . 36060 1 256 . 1 1 26 26 VAL CG2 C 13 20.713 0.059 . . . . . A 26 VAL CG2 . 36060 1 257 . 1 1 26 26 VAL N N 15 117.805 0.024 . . . . . A 26 VAL N . 36060 1 258 . 1 1 27 27 LEU H H 1 8.466 0.012 . . . . . A 27 LEU H . 36060 1 259 . 1 1 27 27 LEU HA H 1 4.307 0.012 . . . . . A 27 LEU HA . 36060 1 260 . 1 1 27 27 LEU HB2 H 1 2.028 0.012 . . . . . A 27 LEU HB2 . 36060 1 261 . 1 1 27 27 LEU HB3 H 1 1.914 0.011 . . . . . A 27 LEU HB3 . 36060 1 262 . 1 1 27 27 LEU HG H 1 1.454 0.006 . . . . . A 27 LEU HG . 36060 1 263 . 1 1 27 27 LEU HD11 H 1 0.696 0.020 . . . . . A 27 LEU HD11 . 36060 1 264 . 1 1 27 27 LEU HD12 H 1 0.696 0.020 . . . . . A 27 LEU HD12 . 36060 1 265 . 1 1 27 27 LEU HD13 H 1 0.696 0.020 . . . . . A 27 LEU HD13 . 36060 1 266 . 1 1 27 27 LEU HD21 H 1 0.455 0.015 . . . . . A 27 LEU HD21 . 36060 1 267 . 1 1 27 27 LEU HD22 H 1 0.455 0.015 . . . . . A 27 LEU HD22 . 36060 1 268 . 1 1 27 27 LEU HD23 H 1 0.455 0.015 . . . . . A 27 LEU HD23 . 36060 1 269 . 1 1 27 27 LEU C C 13 175.362 0.000 . . . . . A 27 LEU C . 36060 1 270 . 1 1 27 27 LEU CA C 13 54.959 0.073 . . . . . A 27 LEU CA . 36060 1 271 . 1 1 27 27 LEU CB C 13 40.413 0.067 . . . . . A 27 LEU CB . 36060 1 272 . 1 1 27 27 LEU CG C 13 25.243 0.012 . . . . . A 27 LEU CG . 36060 1 273 . 1 1 27 27 LEU N N 15 125.864 0.047 . . . . . A 27 LEU N . 36060 1 274 . 1 1 28 28 LEU H H 1 8.644 0.011 . . . . . A 28 LEU H . 36060 1 275 . 1 1 28 28 LEU HA H 1 5.097 0.000 . . . . . A 28 LEU HA . 36060 1 276 . 1 1 28 28 LEU HB2 H 1 1.796 0.028 . . . . . A 28 LEU HB2 . 36060 1 277 . 1 1 28 28 LEU HB3 H 1 1.484 0.008 . . . . . A 28 LEU HB3 . 36060 1 278 . 1 1 28 28 LEU HG H 1 0.996 0.016 . . . . . A 28 LEU HG . 36060 1 279 . 1 1 28 28 LEU HD11 H 1 0.752 0.012 . . . . . A 28 LEU HD11 . 36060 1 280 . 1 1 28 28 LEU HD12 H 1 0.752 0.012 . . . . . A 28 LEU HD12 . 36060 1 281 . 1 1 28 28 LEU HD13 H 1 0.752 0.012 . . . . . A 28 LEU HD13 . 36060 1 282 . 1 1 28 28 LEU HD21 H 1 0.408 0.006 . . . . . A 28 LEU HD21 . 36060 1 283 . 1 1 28 28 LEU HD22 H 1 0.408 0.006 . . . . . A 28 LEU HD22 . 36060 1 284 . 1 1 28 28 LEU HD23 H 1 0.408 0.006 . . . . . A 28 LEU HD23 . 36060 1 285 . 1 1 28 28 LEU C C 13 178.680 0.000 . . . . . A 28 LEU C . 36060 1 286 . 1 1 28 28 LEU CA C 13 58.234 0.038 . . . . . A 28 LEU CA . 36060 1 287 . 1 1 28 28 LEU CB C 13 40.993 0.053 . . . . . A 28 LEU CB . 36060 1 288 . 1 1 28 28 LEU CG C 13 26.192 0.001 . . . . . A 28 LEU CG . 36060 1 289 . 1 1 28 28 LEU N N 15 125.602 0.086 . . . . . A 28 LEU N . 36060 1 290 . 1 1 29 29 SER H H 1 8.690 0.007 . . . . . A 29 SER H . 36060 1 291 . 1 1 29 29 SER HA H 1 4.333 0.009 . . . . . A 29 SER HA . 36060 1 292 . 1 1 29 29 SER HB2 H 1 3.846 0.014 . . . . . A 29 SER HB2 . 36060 1 293 . 1 1 29 29 SER HB3 H 1 3.690 0.010 . . . . . A 29 SER HB3 . 36060 1 294 . 1 1 29 29 SER C C 13 176.667 0.000 . . . . . A 29 SER C . 36060 1 295 . 1 1 29 29 SER CA C 13 60.239 0.051 . . . . . A 29 SER CA . 36060 1 296 . 1 1 29 29 SER CB C 13 61.742 0.033 . . . . . A 29 SER CB . 36060 1 297 . 1 1 29 29 SER N N 15 112.657 0.030 . . . . . A 29 SER N . 36060 1 298 . 1 1 30 30 THR H H 1 7.464 0.016 . . . . . A 30 THR H . 36060 1 299 . 1 1 30 30 THR HA H 1 3.912 0.010 . . . . . A 30 THR HA . 36060 1 300 . 1 1 30 30 THR HB H 1 4.332 0.012 . . . . . A 30 THR HB . 36060 1 301 . 1 1 30 30 THR HG21 H 1 1.316 0.006 . . . . . A 30 THR HG21 . 36060 1 302 . 1 1 30 30 THR HG22 H 1 1.316 0.006 . . . . . A 30 THR HG22 . 36060 1 303 . 1 1 30 30 THR HG23 H 1 1.316 0.006 . . . . . A 30 THR HG23 . 36060 1 304 . 1 1 30 30 THR C C 13 176.230 0.000 . . . . . A 30 THR C . 36060 1 305 . 1 1 30 30 THR CA C 13 65.195 0.092 . . . . . A 30 THR CA . 36060 1 306 . 1 1 30 30 THR CB C 13 67.460 0.075 . . . . . A 30 THR CB . 36060 1 307 . 1 1 30 30 THR CG2 C 13 24.142 0.048 . . . . . A 30 THR CG2 . 36060 1 308 . 1 1 30 30 THR N N 15 121.600 0.034 . . . . . A 30 THR N . 36060 1 309 . 1 1 31 31 VAL H H 1 7.237 0.015 . . . . . A 31 VAL H . 36060 1 310 . 1 1 31 31 VAL HA H 1 3.560 0.016 . . . . . A 31 VAL HA . 36060 1 311 . 1 1 31 31 VAL HB H 1 2.434 0.019 . . . . . A 31 VAL HB . 36060 1 312 . 1 1 31 31 VAL HG11 H 1 0.761 0.006 . . . . . A 31 VAL HG11 . 36060 1 313 . 1 1 31 31 VAL HG12 H 1 0.761 0.006 . . . . . A 31 VAL HG12 . 36060 1 314 . 1 1 31 31 VAL HG13 H 1 0.761 0.006 . . . . . A 31 VAL HG13 . 36060 1 315 . 1 1 31 31 VAL HG21 H 1 0.711 0.010 . . . . . A 31 VAL HG21 . 36060 1 316 . 1 1 31 31 VAL HG22 H 1 0.711 0.010 . . . . . A 31 VAL HG22 . 36060 1 317 . 1 1 31 31 VAL HG23 H 1 0.711 0.010 . . . . . A 31 VAL HG23 . 36060 1 318 . 1 1 31 31 VAL C C 13 178.933 0.000 . . . . . A 31 VAL C . 36060 1 319 . 1 1 31 31 VAL CA C 13 66.566 0.049 . . . . . A 31 VAL CA . 36060 1 320 . 1 1 31 31 VAL CB C 13 31.794 0.034 . . . . . A 31 VAL CB . 36060 1 321 . 1 1 31 31 VAL CG1 C 13 22.186 0.022 . . . . . A 31 VAL CG1 . 36060 1 322 . 1 1 31 31 VAL N N 15 120.911 0.045 . . . . . A 31 VAL N . 36060 1 323 . 1 1 32 32 THR H H 1 9.188 0.008 . . . . . A 32 THR H . 36060 1 324 . 1 1 32 32 THR HA H 1 4.199 0.015 . . . . . A 32 THR HA . 36060 1 325 . 1 1 32 32 THR HB H 1 4.355 0.014 . . . . . A 32 THR HB . 36060 1 326 . 1 1 32 32 THR HG21 H 1 1.313 0.010 . . . . . A 32 THR HG21 . 36060 1 327 . 1 1 32 32 THR HG22 H 1 1.313 0.010 . . . . . A 32 THR HG22 . 36060 1 328 . 1 1 32 32 THR HG23 H 1 1.313 0.010 . . . . . A 32 THR HG23 . 36060 1 329 . 1 1 32 32 THR C C 13 176.415 0.000 . . . . . A 32 THR C . 36060 1 330 . 1 1 32 32 THR CA C 13 64.183 0.076 . . . . . A 32 THR CA . 36060 1 331 . 1 1 32 32 THR CB C 13 68.798 0.040 . . . . . A 32 THR CB . 36060 1 332 . 1 1 32 32 THR CG2 C 13 23.270 0.053 . . . . . A 32 THR CG2 . 36060 1 333 . 1 1 32 32 THR N N 15 113.075 0.052 . . . . . A 32 THR N . 36060 1 334 . 1 1 33 33 ALA H H 1 7.277 0.027 . . . . . A 33 ALA H . 36060 1 335 . 1 1 33 33 ALA HA H 1 4.011 0.018 . . . . . A 33 ALA HA . 36060 1 336 . 1 1 33 33 ALA HB1 H 1 1.418 0.007 . . . . . A 33 ALA HB1 . 36060 1 337 . 1 1 33 33 ALA HB2 H 1 1.418 0.007 . . . . . A 33 ALA HB2 . 36060 1 338 . 1 1 33 33 ALA HB3 H 1 1.418 0.007 . . . . . A 33 ALA HB3 . 36060 1 339 . 1 1 33 33 ALA C C 13 174.558 0.000 . . . . . A 33 ALA C . 36060 1 340 . 1 1 33 33 ALA CA C 13 54.586 0.068 . . . . . A 33 ALA CA . 36060 1 341 . 1 1 33 33 ALA CB C 13 18.124 0.208 . . . . . A 33 ALA CB . 36060 1 342 . 1 1 33 33 ALA N N 15 121.955 0.036 . . . . . A 33 ALA N . 36060 1 343 . 1 1 34 34 GLN H H 1 8.360 0.019 . . . . . A 34 GLN H . 36060 1 344 . 1 1 34 34 GLN HA H 1 4.628 0.006 . . . . . A 34 GLN HA . 36060 1 345 . 1 1 34 34 GLN HB2 H 1 2.039 0.007 . . . . . A 34 GLN HB2 . 36060 1 346 . 1 1 34 34 GLN HB3 H 1 1.926 0.007 . . . . . A 34 GLN HB3 . 36060 1 347 . 1 1 34 34 GLN HG2 H 1 2.308 0.008 . . . . . A 34 GLN HG2 . 36060 1 348 . 1 1 34 34 GLN HG3 H 1 2.052 0.009 . . . . . A 34 GLN HG3 . 36060 1 349 . 1 1 34 34 GLN HE21 H 1 7.778 0.011 . . . . . A 34 GLN HE21 . 36060 1 350 . 1 1 34 34 GLN HE22 H 1 6.833 0.007 . . . . . A 34 GLN HE22 . 36060 1 351 . 1 1 34 34 GLN CA C 13 56.584 0.000 . . . . . A 34 GLN CA . 36060 1 352 . 1 1 34 34 GLN CB C 13 30.397 0.025 . . . . . A 34 GLN CB . 36060 1 353 . 1 1 34 34 GLN CG C 13 35.019 0.024 . . . . . A 34 GLN CG . 36060 1 354 . 1 1 34 34 GLN N N 15 121.522 0.066 . . . . . A 34 GLN N . 36060 1 355 . 1 1 34 34 GLN NE2 N 15 112.497 0.064 . . . . . A 34 GLN NE2 . 36060 1 356 . 1 1 35 35 PHE H H 1 8.039 0.007 . . . . . A 35 PHE H . 36060 1 357 . 1 1 35 35 PHE HA H 1 4.982 0.014 . . . . . A 35 PHE HA . 36060 1 358 . 1 1 35 35 PHE HB2 H 1 2.939 0.000 . . . . . A 35 PHE HB2 . 36060 1 359 . 1 1 35 35 PHE HB3 H 1 2.750 0.011 . . . . . A 35 PHE HB3 . 36060 1 360 . 1 1 35 35 PHE HD1 H 1 6.957 0.015 . . . . . A 35 PHE HD1 . 36060 1 361 . 1 1 35 35 PHE CA C 13 56.940 0.020 . . . . . A 35 PHE CA . 36060 1 362 . 1 1 35 35 PHE N N 15 120.439 0.052 . . . . . A 35 PHE N . 36060 1 363 . 1 1 36 36 PRO HA H 1 4.870 0.031 . . . . . A 36 PRO HA . 36060 1 364 . 1 1 36 36 PRO HB2 H 1 2.009 0.011 . . . . . A 36 PRO HB2 . 36060 1 365 . 1 1 36 36 PRO HG2 H 1 1.947 0.054 . . . . . A 36 PRO HG2 . 36060 1 366 . 1 1 36 36 PRO HG3 H 1 1.869 0.037 . . . . . A 36 PRO HG3 . 36060 1 367 . 1 1 36 36 PRO HD2 H 1 3.630 0.007 . . . . . A 36 PRO HD2 . 36060 1 368 . 1 1 36 36 PRO HD3 H 1 3.222 0.010 . . . . . A 36 PRO HD3 . 36060 1 369 . 1 1 36 36 PRO C C 13 178.521 0.000 . . . . . A 36 PRO C . 36060 1 370 . 1 1 36 36 PRO CA C 13 64.353 0.079 . . . . . A 36 PRO CA . 36060 1 371 . 1 1 36 36 PRO CB C 13 31.374 0.026 . . . . . A 36 PRO CB . 36060 1 372 . 1 1 36 36 PRO CG C 13 27.659 0.021 . . . . . A 36 PRO CG . 36060 1 373 . 1 1 36 36 PRO CD C 13 49.895 0.027 . . . . . A 36 PRO CD . 36060 1 374 . 1 1 37 37 GLY H H 1 8.788 0.006 . . . . . A 37 GLY H . 36060 1 375 . 1 1 37 37 GLY HA2 H 1 4.331 0.011 . . . . . A 37 GLY HA2 . 36060 1 376 . 1 1 37 37 GLY HA3 H 1 3.682 0.008 . . . . . A 37 GLY HA3 . 36060 1 377 . 1 1 37 37 GLY C C 13 174.622 0.000 . . . . . A 37 GLY C . 36060 1 378 . 1 1 37 37 GLY CA C 13 44.730 0.059 . . . . . A 37 GLY CA . 36060 1 379 . 1 1 37 37 GLY N N 15 111.038 0.038 . . . . . A 37 GLY N . 36060 1 380 . 1 1 38 38 ALA H H 1 8.042 0.010 . . . . . A 38 ALA H . 36060 1 381 . 1 1 38 38 ALA HA H 1 3.947 0.012 . . . . . A 38 ALA HA . 36060 1 382 . 1 1 38 38 ALA HB1 H 1 1.224 0.009 . . . . . A 38 ALA HB1 . 36060 1 383 . 1 1 38 38 ALA HB2 H 1 1.224 0.009 . . . . . A 38 ALA HB2 . 36060 1 384 . 1 1 38 38 ALA HB3 H 1 1.224 0.009 . . . . . A 38 ALA HB3 . 36060 1 385 . 1 1 38 38 ALA C C 13 176.863 0.000 . . . . . A 38 ALA C . 36060 1 386 . 1 1 38 38 ALA CA C 13 53.534 0.074 . . . . . A 38 ALA CA . 36060 1 387 . 1 1 38 38 ALA CB C 13 20.046 0.048 . . . . . A 38 ALA CB . 36060 1 388 . 1 1 38 38 ALA N N 15 123.504 0.068 . . . . . A 38 ALA N . 36060 1 389 . 1 1 39 39 SER H H 1 9.141 0.007 . . . . . A 39 SER H . 36060 1 390 . 1 1 39 39 SER HA H 1 4.531 0.020 . . . . . A 39 SER HA . 36060 1 391 . 1 1 39 39 SER HB2 H 1 3.839 0.008 . . . . . A 39 SER HB2 . 36060 1 392 . 1 1 39 39 SER HB3 H 1 3.673 0.002 . . . . . A 39 SER HB3 . 36060 1 393 . 1 1 39 39 SER C C 13 174.728 0.000 . . . . . A 39 SER C . 36060 1 394 . 1 1 39 39 SER CA C 13 56.866 0.069 . . . . . A 39 SER CA . 36060 1 395 . 1 1 39 39 SER CB C 13 65.295 0.036 . . . . . A 39 SER CB . 36060 1 396 . 1 1 39 39 SER N N 15 113.323 0.028 . . . . . A 39 SER N . 36060 1 397 . 1 1 40 40 GLY H H 1 7.383 0.009 . . . . . A 40 GLY H . 36060 1 398 . 1 1 40 40 GLY HA2 H 1 4.268 0.023 . . . . . A 40 GLY HA2 . 36060 1 399 . 1 1 40 40 GLY HA3 H 1 3.595 0.013 . . . . . A 40 GLY HA3 . 36060 1 400 . 1 1 40 40 GLY C C 13 170.828 0.000 . . . . . A 40 GLY C . 36060 1 401 . 1 1 40 40 GLY CA C 13 44.880 0.057 . . . . . A 40 GLY CA . 36060 1 402 . 1 1 40 40 GLY N N 15 106.709 0.034 . . . . . A 40 GLY N . 36060 1 403 . 1 1 41 41 LEU H H 1 8.944 0.014 . . . . . A 41 LEU H . 36060 1 404 . 1 1 41 41 LEU HA H 1 5.298 0.008 . . . . . A 41 LEU HA . 36060 1 405 . 1 1 41 41 LEU HB2 H 1 1.566 0.010 . . . . . A 41 LEU HB2 . 36060 1 406 . 1 1 41 41 LEU HB3 H 1 1.475 0.018 . . . . . A 41 LEU HB3 . 36060 1 407 . 1 1 41 41 LEU HG H 1 1.374 0.006 . . . . . A 41 LEU HG . 36060 1 408 . 1 1 41 41 LEU HD11 H 1 0.770 0.010 . . . . . A 41 LEU HD11 . 36060 1 409 . 1 1 41 41 LEU HD12 H 1 0.770 0.010 . . . . . A 41 LEU HD12 . 36060 1 410 . 1 1 41 41 LEU HD13 H 1 0.770 0.010 . . . . . A 41 LEU HD13 . 36060 1 411 . 1 1 41 41 LEU HD21 H 1 0.531 0.020 . . . . . A 41 LEU HD21 . 36060 1 412 . 1 1 41 41 LEU HD22 H 1 0.531 0.020 . . . . . A 41 LEU HD22 . 36060 1 413 . 1 1 41 41 LEU HD23 H 1 0.531 0.020 . . . . . A 41 LEU HD23 . 36060 1 414 . 1 1 41 41 LEU C C 13 175.803 0.000 . . . . . A 41 LEU C . 36060 1 415 . 1 1 41 41 LEU CA C 13 53.415 0.054 . . . . . A 41 LEU CA . 36060 1 416 . 1 1 41 41 LEU CB C 13 48.512 0.034 . . . . . A 41 LEU CB . 36060 1 417 . 1 1 41 41 LEU CG C 13 26.348 0.030 . . . . . A 41 LEU CG . 36060 1 418 . 1 1 41 41 LEU CD1 C 13 23.899 0.064 . . . . . A 41 LEU CD1 . 36060 1 419 . 1 1 41 41 LEU N N 15 118.079 0.042 . . . . . A 41 LEU N . 36060 1 420 . 1 1 42 42 ARG H H 1 9.448 0.008 . . . . . A 42 ARG H . 36060 1 421 . 1 1 42 42 ARG HA H 1 5.560 0.009 . . . . . A 42 ARG HA . 36060 1 422 . 1 1 42 42 ARG HB2 H 1 1.695 0.011 . . . . . A 42 ARG HB2 . 36060 1 423 . 1 1 42 42 ARG HB3 H 1 1.578 0.008 . . . . . A 42 ARG HB3 . 36060 1 424 . 1 1 42 42 ARG HG2 H 1 1.601 0.014 . . . . . A 42 ARG HG2 . 36060 1 425 . 1 1 42 42 ARG HG3 H 1 1.296 0.012 . . . . . A 42 ARG HG3 . 36060 1 426 . 1 1 42 42 ARG HD2 H 1 3.006 0.013 . . . . . A 42 ARG HD2 . 36060 1 427 . 1 1 42 42 ARG HD3 H 1 2.857 0.016 . . . . . A 42 ARG HD3 . 36060 1 428 . 1 1 42 42 ARG HE H 1 6.936 0.010 . . . . . A 42 ARG HE . 36060 1 429 . 1 1 42 42 ARG C C 13 173.528 0.000 . . . . . A 42 ARG C . 36060 1 430 . 1 1 42 42 ARG CA C 13 54.388 0.055 . . . . . A 42 ARG CA . 36060 1 431 . 1 1 42 42 ARG CB C 13 34.738 0.051 . . . . . A 42 ARG CB . 36060 1 432 . 1 1 42 42 ARG CG C 13 26.877 0.036 . . . . . A 42 ARG CG . 36060 1 433 . 1 1 42 42 ARG CD C 13 43.647 0.093 . . . . . A 42 ARG CD . 36060 1 434 . 1 1 42 42 ARG CZ C 13 159.337 0.000 . . . . . A 42 ARG CZ . 36060 1 435 . 1 1 42 42 ARG N N 15 120.395 0.025 . . . . . A 42 ARG N . 36060 1 436 . 1 1 42 42 ARG NE N 15 83.604 0.083 . . . . . A 42 ARG NE . 36060 1 437 . 1 1 43 43 TYR H H 1 8.975 0.008 . . . . . A 43 TYR H . 36060 1 438 . 1 1 43 43 TYR HA H 1 4.804 0.012 . . . . . A 43 TYR HA . 36060 1 439 . 1 1 43 43 TYR HB2 H 1 2.957 0.010 . . . . . A 43 TYR HB2 . 36060 1 440 . 1 1 43 43 TYR HB3 H 1 2.372 0.012 . . . . . A 43 TYR HB3 . 36060 1 441 . 1 1 43 43 TYR HD1 H 1 6.997 0.009 . . . . . A 43 TYR HD1 . 36060 1 442 . 1 1 43 43 TYR HE1 H 1 6.537 0.007 . . . . . A 43 TYR HE1 . 36060 1 443 . 1 1 43 43 TYR C C 13 175.029 0.000 . . . . . A 43 TYR C . 36060 1 444 . 1 1 43 43 TYR CA C 13 55.912 0.060 . . . . . A 43 TYR CA . 36060 1 445 . 1 1 43 43 TYR CB C 13 40.889 0.036 . . . . . A 43 TYR CB . 36060 1 446 . 1 1 43 43 TYR N N 15 116.023 0.049 . . . . . A 43 TYR N . 36060 1 447 . 1 1 44 44 ARG H H 1 8.973 0.010 . . . . . A 44 ARG H . 36060 1 448 . 1 1 44 44 ARG HA H 1 5.464 0.003 . . . . . A 44 ARG HA . 36060 1 449 . 1 1 44 44 ARG CA C 13 54.993 0.000 . . . . . A 44 ARG CA . 36060 1 450 . 1 1 44 44 ARG CB C 13 30.443 0.000 . . . . . A 44 ARG CB . 36060 1 451 . 1 1 44 44 ARG N N 15 121.664 0.096 . . . . . A 44 ARG N . 36060 1 452 . 1 1 45 45 ASN HA H 1 4.224 0.022 . . . . . A 45 ASN HA . 36060 1 453 . 1 1 45 45 ASN HB2 H 1 3.052 0.019 . . . . . A 45 ASN HB2 . 36060 1 454 . 1 1 45 45 ASN HB3 H 1 2.908 0.000 . . . . . A 45 ASN HB3 . 36060 1 455 . 1 1 46 46 PRO HA H 1 4.421 0.007 . . . . . A 46 PRO HA . 36060 1 456 . 1 1 46 46 PRO HB2 H 1 2.240 0.008 . . . . . A 46 PRO HB2 . 36060 1 457 . 1 1 46 46 PRO HG2 H 1 1.845 0.005 . . . . . A 46 PRO HG2 . 36060 1 458 . 1 1 46 46 PRO HD2 H 1 3.955 0.008 . . . . . A 46 PRO HD2 . 36060 1 459 . 1 1 46 46 PRO HD3 H 1 3.627 0.026 . . . . . A 46 PRO HD3 . 36060 1 460 . 1 1 46 46 PRO C C 13 177.418 0.000 . . . . . A 46 PRO C . 36060 1 461 . 1 1 46 46 PRO CA C 13 64.397 0.061 . . . . . A 46 PRO CA . 36060 1 462 . 1 1 46 46 PRO CB C 13 32.206 0.066 . . . . . A 46 PRO CB . 36060 1 463 . 1 1 46 46 PRO CG C 13 27.567 0.025 . . . . . A 46 PRO CG . 36060 1 464 . 1 1 46 46 PRO CD C 13 50.930 0.015 . . . . . A 46 PRO CD . 36060 1 465 . 1 1 47 47 VAL H H 1 7.902 0.007 . . . . . A 47 VAL H . 36060 1 466 . 1 1 47 47 VAL HA H 1 3.836 0.006 . . . . . A 47 VAL HA . 36060 1 467 . 1 1 47 47 VAL HB H 1 2.106 0.014 . . . . . A 47 VAL HB . 36060 1 468 . 1 1 47 47 VAL HG11 H 1 0.895 0.015 . . . . . A 47 VAL HG11 . 36060 1 469 . 1 1 47 47 VAL HG12 H 1 0.895 0.015 . . . . . A 47 VAL HG12 . 36060 1 470 . 1 1 47 47 VAL HG13 H 1 0.895 0.015 . . . . . A 47 VAL HG13 . 36060 1 471 . 1 1 47 47 VAL HG21 H 1 0.854 0.015 . . . . . A 47 VAL HG21 . 36060 1 472 . 1 1 47 47 VAL HG22 H 1 0.854 0.015 . . . . . A 47 VAL HG22 . 36060 1 473 . 1 1 47 47 VAL HG23 H 1 0.854 0.015 . . . . . A 47 VAL HG23 . 36060 1 474 . 1 1 47 47 VAL C C 13 177.094 0.000 . . . . . A 47 VAL C . 36060 1 475 . 1 1 47 47 VAL CA C 13 64.798 0.037 . . . . . A 47 VAL CA . 36060 1 476 . 1 1 47 47 VAL CB C 13 31.914 0.072 . . . . . A 47 VAL CB . 36060 1 477 . 1 1 47 47 VAL CG1 C 13 21.578 0.036 . . . . . A 47 VAL CG1 . 36060 1 478 . 1 1 47 47 VAL CG2 C 13 21.011 0.079 . . . . . A 47 VAL CG2 . 36060 1 479 . 1 1 47 47 VAL N N 15 117.136 0.037 . . . . . A 47 VAL N . 36060 1 480 . 1 1 48 48 SER H H 1 7.586 0.014 . . . . . A 48 SER H . 36060 1 481 . 1 1 48 48 SER HA H 1 4.355 0.006 . . . . . A 48 SER HA . 36060 1 482 . 1 1 48 48 SER HB2 H 1 3.960 0.007 . . . . . A 48 SER HB2 . 36060 1 483 . 1 1 48 48 SER HB3 H 1 3.656 0.006 . . . . . A 48 SER HB3 . 36060 1 484 . 1 1 48 48 SER C C 13 175.346 0.000 . . . . . A 48 SER C . 36060 1 485 . 1 1 48 48 SER CA C 13 58.178 0.053 . . . . . A 48 SER CA . 36060 1 486 . 1 1 48 48 SER CB C 13 64.834 0.041 . . . . . A 48 SER CB . 36060 1 487 . 1 1 48 48 SER N N 15 112.725 0.031 . . . . . A 48 SER N . 36060 1 488 . 1 1 49 49 GLN H H 1 8.288 0.008 . . . . . A 49 GLN H . 36060 1 489 . 1 1 49 49 GLN HA H 1 3.796 0.013 . . . . . A 49 GLN HA . 36060 1 490 . 1 1 49 49 GLN HB2 H 1 2.261 0.010 . . . . . A 49 GLN HB2 . 36060 1 491 . 1 1 49 49 GLN HB3 H 1 2.091 0.010 . . . . . A 49 GLN HB3 . 36060 1 492 . 1 1 49 49 GLN HG2 H 1 2.227 0.007 . . . . . A 49 GLN HG2 . 36060 1 493 . 1 1 49 49 GLN HG3 H 1 2.084 0.007 . . . . . A 49 GLN HG3 . 36060 1 494 . 1 1 49 49 GLN HE21 H 1 7.333 0.005 . . . . . A 49 GLN HE21 . 36060 1 495 . 1 1 49 49 GLN HE22 H 1 6.713 0.016 . . . . . A 49 GLN HE22 . 36060 1 496 . 1 1 49 49 GLN C C 13 174.735 0.000 . . . . . A 49 GLN C . 36060 1 497 . 1 1 49 49 GLN CA C 13 57.135 0.101 . . . . . A 49 GLN CA . 36060 1 498 . 1 1 49 49 GLN CB C 13 25.949 0.102 . . . . . A 49 GLN CB . 36060 1 499 . 1 1 49 49 GLN CG C 13 33.481 0.050 . . . . . A 49 GLN CG . 36060 1 500 . 1 1 49 49 GLN N N 15 116.106 0.051 . . . . . A 49 GLN N . 36060 1 501 . 1 1 49 49 GLN NE2 N 15 113.074 0.060 . . . . . A 49 GLN NE2 . 36060 1 502 . 1 1 50 50 SER H H 1 7.682 0.006 . . . . . A 50 SER H . 36060 1 503 . 1 1 50 50 SER HA H 1 4.510 0.008 . . . . . A 50 SER HA . 36060 1 504 . 1 1 50 50 SER HB2 H 1 3.675 0.012 . . . . . A 50 SER HB2 . 36060 1 505 . 1 1 50 50 SER HB3 H 1 3.109 0.018 . . . . . A 50 SER HB3 . 36060 1 506 . 1 1 50 50 SER C C 13 173.660 0.000 . . . . . A 50 SER C . 36060 1 507 . 1 1 50 50 SER CA C 13 57.233 0.083 . . . . . A 50 SER CA . 36060 1 508 . 1 1 50 50 SER CB C 13 64.830 0.066 . . . . . A 50 SER CB . 36060 1 509 . 1 1 50 50 SER N N 15 113.725 0.050 . . . . . A 50 SER N . 36060 1 510 . 1 1 51 51 MET H H 1 8.643 0.005 . . . . . A 51 MET H . 36060 1 511 . 1 1 51 51 MET HA H 1 4.793 0.055 . . . . . A 51 MET HA . 36060 1 512 . 1 1 51 51 MET HB2 H 1 1.893 0.013 . . . . . A 51 MET HB2 . 36060 1 513 . 1 1 51 51 MET HB3 H 1 1.551 0.011 . . . . . A 51 MET HB3 . 36060 1 514 . 1 1 51 51 MET HG2 H 1 2.470 0.015 . . . . . A 51 MET HG2 . 36060 1 515 . 1 1 51 51 MET HG3 H 1 2.364 0.008 . . . . . A 51 MET HG3 . 36060 1 516 . 1 1 51 51 MET C C 13 176.579 0.000 . . . . . A 51 MET C . 36060 1 517 . 1 1 51 51 MET CA C 13 54.218 0.038 . . . . . A 51 MET CA . 36060 1 518 . 1 1 51 51 MET CB C 13 32.013 0.054 . . . . . A 51 MET CB . 36060 1 519 . 1 1 51 51 MET CG C 13 31.912 0.079 . . . . . A 51 MET CG . 36060 1 520 . 1 1 51 51 MET N N 15 121.791 0.036 . . . . . A 51 MET N . 36060 1 521 . 1 1 52 52 ARG H H 1 9.018 0.012 . . . . . A 52 ARG H . 36060 1 522 . 1 1 52 52 ARG HA H 1 4.442 0.018 . . . . . A 52 ARG HA . 36060 1 523 . 1 1 52 52 ARG HB2 H 1 1.390 0.013 . . . . . A 52 ARG HB2 . 36060 1 524 . 1 1 52 52 ARG HB3 H 1 0.958 0.015 . . . . . A 52 ARG HB3 . 36060 1 525 . 1 1 52 52 ARG HG2 H 1 1.358 0.016 . . . . . A 52 ARG HG2 . 36060 1 526 . 1 1 52 52 ARG HD2 H 1 3.078 0.007 . . . . . A 52 ARG HD2 . 36060 1 527 . 1 1 52 52 ARG HD3 H 1 3.056 0.007 . . . . . A 52 ARG HD3 . 36060 1 528 . 1 1 52 52 ARG C C 13 174.676 0.000 . . . . . A 52 ARG C . 36060 1 529 . 1 1 52 52 ARG CA C 13 53.677 0.069 . . . . . A 52 ARG CA . 36060 1 530 . 1 1 52 52 ARG CB C 13 33.174 0.036 . . . . . A 52 ARG CB . 36060 1 531 . 1 1 52 52 ARG CG C 13 26.377 0.074 . . . . . A 52 ARG CG . 36060 1 532 . 1 1 52 52 ARG CD C 13 42.890 0.046 . . . . . A 52 ARG CD . 36060 1 533 . 1 1 52 52 ARG N N 15 124.411 0.018 . . . . . A 52 ARG N . 36060 1 534 . 1 1 53 53 GLY H H 1 8.535 0.006 . . . . . A 53 GLY H . 36060 1 535 . 1 1 53 53 GLY HA2 H 1 4.322 0.009 . . . . . A 53 GLY HA2 . 36060 1 536 . 1 1 53 53 GLY HA3 H 1 3.673 0.010 . . . . . A 53 GLY HA3 . 36060 1 537 . 1 1 53 53 GLY C C 13 174.497 0.000 . . . . . A 53 GLY C . 36060 1 538 . 1 1 53 53 GLY CA C 13 44.814 0.069 . . . . . A 53 GLY CA . 36060 1 539 . 1 1 53 53 GLY N N 15 107.225 0.029 . . . . . A 53 GLY N . 36060 1 540 . 1 1 54 54 VAL H H 1 8.188 0.011 . . . . . A 54 VAL H . 36060 1 541 . 1 1 54 54 VAL HA H 1 4.127 0.012 . . . . . A 54 VAL HA . 36060 1 542 . 1 1 54 54 VAL HB H 1 1.932 0.010 . . . . . A 54 VAL HB . 36060 1 543 . 1 1 54 54 VAL HG11 H 1 1.164 0.007 . . . . . A 54 VAL HG11 . 36060 1 544 . 1 1 54 54 VAL HG12 H 1 1.164 0.007 . . . . . A 54 VAL HG12 . 36060 1 545 . 1 1 54 54 VAL HG13 H 1 1.164 0.007 . . . . . A 54 VAL HG13 . 36060 1 546 . 1 1 54 54 VAL HG21 H 1 0.872 0.008 . . . . . A 54 VAL HG21 . 36060 1 547 . 1 1 54 54 VAL HG22 H 1 0.872 0.008 . . . . . A 54 VAL HG22 . 36060 1 548 . 1 1 54 54 VAL HG23 H 1 0.872 0.008 . . . . . A 54 VAL HG23 . 36060 1 549 . 1 1 54 54 VAL C C 13 176.191 0.000 . . . . . A 54 VAL C . 36060 1 550 . 1 1 54 54 VAL CA C 13 62.410 0.061 . . . . . A 54 VAL CA . 36060 1 551 . 1 1 54 54 VAL CB C 13 32.602 0.096 . . . . . A 54 VAL CB . 36060 1 552 . 1 1 54 54 VAL CG1 C 13 25.038 0.040 . . . . . A 54 VAL CG1 . 36060 1 553 . 1 1 54 54 VAL CG2 C 13 23.555 0.000 . . . . . A 54 VAL CG2 . 36060 1 554 . 1 1 54 54 VAL N N 15 124.372 0.051 . . . . . A 54 VAL N . 36060 1 555 . 1 1 55 55 ARG H H 1 9.332 0.005 . . . . . A 55 ARG H . 36060 1 556 . 1 1 55 55 ARG HA H 1 3.968 0.005 . . . . . A 55 ARG HA . 36060 1 557 . 1 1 55 55 ARG HB2 H 1 1.720 0.012 . . . . . A 55 ARG HB2 . 36060 1 558 . 1 1 55 55 ARG HB3 H 1 1.529 0.018 . . . . . A 55 ARG HB3 . 36060 1 559 . 1 1 55 55 ARG HG2 H 1 1.319 0.005 . . . . . A 55 ARG HG2 . 36060 1 560 . 1 1 55 55 ARG HG3 H 1 1.135 0.026 . . . . . A 55 ARG HG3 . 36060 1 561 . 1 1 55 55 ARG HD2 H 1 3.043 0.014 . . . . . A 55 ARG HD2 . 36060 1 562 . 1 1 55 55 ARG HD3 H 1 2.919 0.024 . . . . . A 55 ARG HD3 . 36060 1 563 . 1 1 55 55 ARG HE H 1 8.060 0.007 . . . . . A 55 ARG HE . 36060 1 564 . 1 1 55 55 ARG C C 13 173.222 0.000 . . . . . A 55 ARG C . 36060 1 565 . 1 1 55 55 ARG CA C 13 58.461 0.052 . . . . . A 55 ARG CA . 36060 1 566 . 1 1 55 55 ARG CB C 13 31.027 0.057 . . . . . A 55 ARG CB . 36060 1 567 . 1 1 55 55 ARG CG C 13 27.804 0.027 . . . . . A 55 ARG CG . 36060 1 568 . 1 1 55 55 ARG CD C 13 43.405 0.011 . . . . . A 55 ARG CD . 36060 1 569 . 1 1 55 55 ARG CZ C 13 159.645 0.000 . . . . . A 55 ARG CZ . 36060 1 570 . 1 1 55 55 ARG N N 15 132.154 0.033 . . . . . A 55 ARG N . 36060 1 571 . 1 1 55 55 ARG NE N 15 84.165 0.026 . . . . . A 55 ARG NE . 36060 1 572 . 1 1 56 56 LEU H H 1 8.186 0.004 . . . . . A 56 LEU H . 36060 1 573 . 1 1 56 56 LEU HA H 1 5.243 0.025 . . . . . A 56 LEU HA . 36060 1 574 . 1 1 56 56 LEU HB2 H 1 1.853 0.012 . . . . . A 56 LEU HB2 . 36060 1 575 . 1 1 56 56 LEU HB3 H 1 1.437 0.016 . . . . . A 56 LEU HB3 . 36060 1 576 . 1 1 56 56 LEU HG H 1 1.338 0.018 . . . . . A 56 LEU HG . 36060 1 577 . 1 1 56 56 LEU HD11 H 1 0.981 0.013 . . . . . A 56 LEU HD11 . 36060 1 578 . 1 1 56 56 LEU HD12 H 1 0.981 0.013 . . . . . A 56 LEU HD12 . 36060 1 579 . 1 1 56 56 LEU HD13 H 1 0.981 0.013 . . . . . A 56 LEU HD13 . 36060 1 580 . 1 1 56 56 LEU HD21 H 1 0.729 0.005 . . . . . A 56 LEU HD21 . 36060 1 581 . 1 1 56 56 LEU HD22 H 1 0.729 0.005 . . . . . A 56 LEU HD22 . 36060 1 582 . 1 1 56 56 LEU HD23 H 1 0.729 0.005 . . . . . A 56 LEU HD23 . 36060 1 583 . 1 1 56 56 LEU C C 13 176.121 0.000 . . . . . A 56 LEU C . 36060 1 584 . 1 1 56 56 LEU CA C 13 53.578 0.066 . . . . . A 56 LEU CA . 36060 1 585 . 1 1 56 56 LEU CB C 13 44.067 0.034 . . . . . A 56 LEU CB . 36060 1 586 . 1 1 56 56 LEU CG C 13 27.262 0.022 . . . . . A 56 LEU CG . 36060 1 587 . 1 1 56 56 LEU N N 15 129.702 0.024 . . . . . A 56 LEU N . 36060 1 588 . 1 1 57 57 VAL H H 1 9.209 0.009 . . . . . A 57 VAL H . 36060 1 589 . 1 1 57 57 VAL HA H 1 4.258 0.013 . . . . . A 57 VAL HA . 36060 1 590 . 1 1 57 57 VAL HB H 1 2.012 0.014 . . . . . A 57 VAL HB . 36060 1 591 . 1 1 57 57 VAL HG11 H 1 0.889 0.016 . . . . . A 57 VAL HG11 . 36060 1 592 . 1 1 57 57 VAL HG12 H 1 0.889 0.016 . . . . . A 57 VAL HG12 . 36060 1 593 . 1 1 57 57 VAL HG13 H 1 0.889 0.016 . . . . . A 57 VAL HG13 . 36060 1 594 . 1 1 57 57 VAL HG21 H 1 0.740 0.010 . . . . . A 57 VAL HG21 . 36060 1 595 . 1 1 57 57 VAL HG22 H 1 0.740 0.010 . . . . . A 57 VAL HG22 . 36060 1 596 . 1 1 57 57 VAL HG23 H 1 0.740 0.010 . . . . . A 57 VAL HG23 . 36060 1 597 . 1 1 57 57 VAL C C 13 175.999 0.000 . . . . . A 57 VAL C . 36060 1 598 . 1 1 57 57 VAL CA C 13 61.295 0.048 . . . . . A 57 VAL CA . 36060 1 599 . 1 1 57 57 VAL CB C 13 34.792 0.076 . . . . . A 57 VAL CB . 36060 1 600 . 1 1 57 57 VAL CG1 C 13 21.071 0.043 . . . . . A 57 VAL CG1 . 36060 1 601 . 1 1 57 57 VAL CG2 C 13 20.457 0.023 . . . . . A 57 VAL CG2 . 36060 1 602 . 1 1 57 57 VAL N N 15 127.736 0.031 . . . . . A 57 VAL N . 36060 1 603 . 1 1 58 58 GLU H H 1 9.567 0.004 . . . . . A 58 GLU H . 36060 1 604 . 1 1 58 58 GLU HA H 1 3.802 0.005 . . . . . A 58 GLU HA . 36060 1 605 . 1 1 58 58 GLU HB2 H 1 2.125 0.058 . . . . . A 58 GLU HB2 . 36060 1 606 . 1 1 58 58 GLU HB3 H 1 1.940 0.012 . . . . . A 58 GLU HB3 . 36060 1 607 . 1 1 58 58 GLU HG2 H 1 2.251 0.017 . . . . . A 58 GLU HG2 . 36060 1 608 . 1 1 58 58 GLU HG3 H 1 2.189 0.017 . . . . . A 58 GLU HG3 . 36060 1 609 . 1 1 58 58 GLU C C 13 176.039 0.000 . . . . . A 58 GLU C . 36060 1 610 . 1 1 58 58 GLU CA C 13 57.058 0.091 . . . . . A 58 GLU CA . 36060 1 611 . 1 1 58 58 GLU CB C 13 27.736 0.071 . . . . . A 58 GLU CB . 36060 1 612 . 1 1 58 58 GLU CG C 13 36.368 0.038 . . . . . A 58 GLU CG . 36060 1 613 . 1 1 58 58 GLU N N 15 128.546 0.036 . . . . . A 58 GLU N . 36060 1 614 . 1 1 59 59 GLY H H 1 8.327 0.004 . . . . . A 59 GLY H . 36060 1 615 . 1 1 59 59 GLY HA2 H 1 4.140 0.005 . . . . . A 59 GLY HA2 . 36060 1 616 . 1 1 59 59 GLY HA3 H 1 3.509 0.015 . . . . . A 59 GLY HA3 . 36060 1 617 . 1 1 59 59 GLY C C 13 173.170 0.000 . . . . . A 59 GLY C . 36060 1 618 . 1 1 59 59 GLY CA C 13 45.890 0.060 . . . . . A 59 GLY CA . 36060 1 619 . 1 1 59 59 GLY N N 15 102.546 0.029 . . . . . A 59 GLY N . 36060 1 620 . 1 1 60 60 ILE H H 1 8.116 0.010 . . . . . A 60 ILE H . 36060 1 621 . 1 1 60 60 ILE HA H 1 4.166 0.008 . . . . . A 60 ILE HA . 36060 1 622 . 1 1 60 60 ILE HB H 1 2.140 0.011 . . . . . A 60 ILE HB . 36060 1 623 . 1 1 60 60 ILE HG12 H 1 1.456 0.010 . . . . . A 60 ILE HG12 . 36060 1 624 . 1 1 60 60 ILE HG13 H 1 1.064 0.027 . . . . . A 60 ILE HG13 . 36060 1 625 . 1 1 60 60 ILE HG21 H 1 0.476 0.009 . . . . . A 60 ILE HG21 . 36060 1 626 . 1 1 60 60 ILE HG22 H 1 0.476 0.009 . . . . . A 60 ILE HG22 . 36060 1 627 . 1 1 60 60 ILE HG23 H 1 0.476 0.009 . . . . . A 60 ILE HG23 . 36060 1 628 . 1 1 60 60 ILE HD11 H 1 0.751 0.007 . . . . . A 60 ILE HD11 . 36060 1 629 . 1 1 60 60 ILE HD12 H 1 0.751 0.007 . . . . . A 60 ILE HD12 . 36060 1 630 . 1 1 60 60 ILE HD13 H 1 0.751 0.007 . . . . . A 60 ILE HD13 . 36060 1 631 . 1 1 60 60 ILE C C 13 174.465 0.000 . . . . . A 60 ILE C . 36060 1 632 . 1 1 60 60 ILE CA C 13 61.245 0.063 . . . . . A 60 ILE CA . 36060 1 633 . 1 1 60 60 ILE CB C 13 38.560 0.083 . . . . . A 60 ILE CB . 36060 1 634 . 1 1 60 60 ILE CG1 C 13 27.060 0.011 . . . . . A 60 ILE CG1 . 36060 1 635 . 1 1 60 60 ILE CG2 C 13 17.991 0.054 . . . . . A 60 ILE CG2 . 36060 1 636 . 1 1 60 60 ILE CD1 C 13 12.110 0.085 . . . . . A 60 ILE CD1 . 36060 1 637 . 1 1 60 60 ILE N N 15 123.878 0.073 . . . . . A 60 ILE N . 36060 1 638 . 1 1 61 61 LEU H H 1 9.264 0.011 . . . . . A 61 LEU H . 36060 1 639 . 1 1 61 61 LEU HA H 1 5.189 0.023 . . . . . A 61 LEU HA . 36060 1 640 . 1 1 61 61 LEU HB2 H 1 1.468 0.015 . . . . . A 61 LEU HB2 . 36060 1 641 . 1 1 61 61 LEU HG H 1 1.243 0.040 . . . . . A 61 LEU HG . 36060 1 642 . 1 1 61 61 LEU HD11 H 1 0.803 0.016 . . . . . A 61 LEU HD11 . 36060 1 643 . 1 1 61 61 LEU HD12 H 1 0.803 0.016 . . . . . A 61 LEU HD12 . 36060 1 644 . 1 1 61 61 LEU HD13 H 1 0.803 0.016 . . . . . A 61 LEU HD13 . 36060 1 645 . 1 1 61 61 LEU C C 13 176.992 0.000 . . . . . A 61 LEU C . 36060 1 646 . 1 1 61 61 LEU CA C 13 54.349 0.182 . . . . . A 61 LEU CA . 36060 1 647 . 1 1 61 61 LEU CB C 13 42.627 0.329 . . . . . A 61 LEU CB . 36060 1 648 . 1 1 61 61 LEU CG C 13 27.165 0.015 . . . . . A 61 LEU CG . 36060 1 649 . 1 1 61 61 LEU CD1 C 13 25.036 0.019 . . . . . A 61 LEU CD1 . 36060 1 650 . 1 1 61 61 LEU N N 15 128.913 0.059 . . . . . A 61 LEU N . 36060 1 651 . 1 1 62 62 HIS H H 1 8.374 0.007 . . . . . A 62 HIS H . 36060 1 652 . 1 1 62 62 HIS HA H 1 4.069 0.008 . . . . . A 62 HIS HA . 36060 1 653 . 1 1 62 62 HIS HB2 H 1 2.971 0.004 . . . . . A 62 HIS HB2 . 36060 1 654 . 1 1 62 62 HIS HB3 H 1 2.890 0.022 . . . . . A 62 HIS HB3 . 36060 1 655 . 1 1 62 62 HIS C C 13 173.108 0.000 . . . . . A 62 HIS C . 36060 1 656 . 1 1 62 62 HIS CA C 13 54.965 0.741 . . . . . A 62 HIS CA . 36060 1 657 . 1 1 62 62 HIS CB C 13 31.908 0.716 . . . . . A 62 HIS CB . 36060 1 658 . 1 1 62 62 HIS N N 15 120.964 0.118 . . . . . A 62 HIS N . 36060 1 659 . 1 1 63 63 ALA H H 1 8.381 0.005 . . . . . A 63 ALA H . 36060 1 660 . 1 1 63 63 ALA HA H 1 4.668 0.002 . . . . . A 63 ALA HA . 36060 1 661 . 1 1 63 63 ALA HB1 H 1 1.207 0.008 . . . . . A 63 ALA HB1 . 36060 1 662 . 1 1 63 63 ALA HB2 H 1 1.207 0.008 . . . . . A 63 ALA HB2 . 36060 1 663 . 1 1 63 63 ALA HB3 H 1 1.207 0.008 . . . . . A 63 ALA HB3 . 36060 1 664 . 1 1 63 63 ALA CA C 13 49.881 0.015 . . . . . A 63 ALA CA . 36060 1 665 . 1 1 63 63 ALA CB C 13 15.962 0.002 . . . . . A 63 ALA CB . 36060 1 666 . 1 1 63 63 ALA N N 15 125.528 0.044 . . . . . A 63 ALA N . 36060 1 667 . 1 1 64 64 PRO HA H 1 4.705 0.007 . . . . . A 64 PRO HA . 36060 1 668 . 1 1 64 64 PRO HB2 H 1 1.977 0.014 . . . . . A 64 PRO HB2 . 36060 1 669 . 1 1 64 64 PRO HG2 H 1 2.049 0.006 . . . . . A 64 PRO HG2 . 36060 1 670 . 1 1 64 64 PRO HD2 H 1 4.119 0.007 . . . . . A 64 PRO HD2 . 36060 1 671 . 1 1 64 64 PRO HD3 H 1 3.910 0.016 . . . . . A 64 PRO HD3 . 36060 1 672 . 1 1 64 64 PRO C C 13 176.174 0.000 . . . . . A 64 PRO C . 36060 1 673 . 1 1 64 64 PRO CA C 13 62.131 0.052 . . . . . A 64 PRO CA . 36060 1 674 . 1 1 64 64 PRO CB C 13 32.285 0.040 . . . . . A 64 PRO CB . 36060 1 675 . 1 1 64 64 PRO CG C 13 28.096 0.015 . . . . . A 64 PRO CG . 36060 1 676 . 1 1 64 64 PRO CD C 13 50.569 0.021 . . . . . A 64 PRO CD . 36060 1 677 . 1 1 65 65 ASP H H 1 8.439 0.006 . . . . . A 65 ASP H . 36060 1 678 . 1 1 65 65 ASP HA H 1 4.032 0.006 . . . . . A 65 ASP HA . 36060 1 679 . 1 1 65 65 ASP HB2 H 1 2.563 0.015 . . . . . A 65 ASP HB2 . 36060 1 680 . 1 1 65 65 ASP HB3 H 1 2.465 0.012 . . . . . A 65 ASP HB3 . 36060 1 681 . 1 1 65 65 ASP C C 13 177.062 0.000 . . . . . A 65 ASP C . 36060 1 682 . 1 1 65 65 ASP CA C 13 57.673 0.170 . . . . . A 65 ASP CA . 36060 1 683 . 1 1 65 65 ASP CB C 13 40.114 0.058 . . . . . A 65 ASP CB . 36060 1 684 . 1 1 65 65 ASP N N 15 122.323 0.081 . . . . . A 65 ASP N . 36060 1 685 . 1 1 66 66 ALA H H 1 8.025 0.004 . . . . . A 66 ALA H . 36060 1 686 . 1 1 66 66 ALA HA H 1 4.182 0.013 . . . . . A 66 ALA HA . 36060 1 687 . 1 1 66 66 ALA HB1 H 1 1.324 0.009 . . . . . A 66 ALA HB1 . 36060 1 688 . 1 1 66 66 ALA HB2 H 1 1.324 0.009 . . . . . A 66 ALA HB2 . 36060 1 689 . 1 1 66 66 ALA HB3 H 1 1.324 0.009 . . . . . A 66 ALA HB3 . 36060 1 690 . 1 1 66 66 ALA C C 13 177.434 0.000 . . . . . A 66 ALA C . 36060 1 691 . 1 1 66 66 ALA CA C 13 52.571 0.052 . . . . . A 66 ALA CA . 36060 1 692 . 1 1 66 66 ALA CB C 13 18.579 0.075 . . . . . A 66 ALA CB . 36060 1 693 . 1 1 66 66 ALA N N 15 118.507 0.029 . . . . . A 66 ALA N . 36060 1 694 . 1 1 67 67 GLY H H 1 7.867 0.007 . . . . . A 67 GLY H . 36060 1 695 . 1 1 67 67 GLY HA2 H 1 4.306 0.011 . . . . . A 67 GLY HA2 . 36060 1 696 . 1 1 67 67 GLY HA3 H 1 3.309 0.007 . . . . . A 67 GLY HA3 . 36060 1 697 . 1 1 67 67 GLY C C 13 172.837 0.000 . . . . . A 67 GLY C . 36060 1 698 . 1 1 67 67 GLY CA C 13 43.133 0.072 . . . . . A 67 GLY CA . 36060 1 699 . 1 1 67 67 GLY N N 15 108.137 0.027 . . . . . A 67 GLY N . 36060 1 700 . 1 1 68 68 TRP H H 1 8.497 0.011 . . . . . A 68 TRP H . 36060 1 701 . 1 1 68 68 TRP HA H 1 4.561 0.014 . . . . . A 68 TRP HA . 36060 1 702 . 1 1 68 68 TRP HB2 H 1 3.259 0.023 . . . . . A 68 TRP HB2 . 36060 1 703 . 1 1 68 68 TRP HB3 H 1 3.025 0.013 . . . . . A 68 TRP HB3 . 36060 1 704 . 1 1 68 68 TRP HD1 H 1 6.962 0.018 . . . . . A 68 TRP HD1 . 36060 1 705 . 1 1 68 68 TRP HE1 H 1 10.019 0.006 . . . . . A 68 TRP HE1 . 36060 1 706 . 1 1 68 68 TRP HE3 H 1 7.139 0.005 . . . . . A 68 TRP HE3 . 36060 1 707 . 1 1 68 68 TRP C C 13 180.475 0.000 . . . . . A 68 TRP C . 36060 1 708 . 1 1 68 68 TRP CA C 13 58.784 0.077 . . . . . A 68 TRP CA . 36060 1 709 . 1 1 68 68 TRP CB C 13 30.902 0.065 . . . . . A 68 TRP CB . 36060 1 710 . 1 1 68 68 TRP CE3 C 13 133.631 0.000 . . . . . A 68 TRP CE3 . 36060 1 711 . 1 1 68 68 TRP N N 15 120.059 0.036 . . . . . A 68 TRP N . 36060 1 712 . 1 1 68 68 TRP NE1 N 15 127.655 0.032 . . . . . A 68 TRP NE1 . 36060 1 713 . 1 1 69 69 GLY H H 1 8.558 0.007 . . . . . A 69 GLY H . 36060 1 714 . 1 1 69 69 GLY HA3 H 1 3.807 0.012 . . . . . A 69 GLY HA3 . 36060 1 715 . 1 1 69 69 GLY CA C 13 45.980 0.027 . . . . . A 69 GLY CA . 36060 1 716 . 1 1 69 69 GLY N N 15 103.164 0.035 . . . . . A 69 GLY N . 36060 1 717 . 1 1 70 70 ASN H H 1 8.725 0.004 . . . . . A 70 ASN H . 36060 1 718 . 1 1 70 70 ASN HA H 1 5.118 0.003 . . . . . A 70 ASN HA . 36060 1 719 . 1 1 70 70 ASN HB2 H 1 2.778 0.014 . . . . . A 70 ASN HB2 . 36060 1 720 . 1 1 70 70 ASN HB3 H 1 2.542 0.013 . . . . . A 70 ASN HB3 . 36060 1 721 . 1 1 70 70 ASN HD21 H 1 7.067 0.005 . . . . . A 70 ASN HD21 . 36060 1 722 . 1 1 70 70 ASN HD22 H 1 6.815 0.004 . . . . . A 70 ASN HD22 . 36060 1 723 . 1 1 70 70 ASN C C 13 175.241 0.000 . . . . . A 70 ASN C . 36060 1 724 . 1 1 70 70 ASN CA C 13 51.697 0.208 . . . . . A 70 ASN CA . 36060 1 725 . 1 1 70 70 ASN CB C 13 38.363 0.043 . . . . . A 70 ASN CB . 36060 1 726 . 1 1 70 70 ASN N N 15 120.100 0.060 . . . . . A 70 ASN N . 36060 1 727 . 1 1 70 70 ASN ND2 N 15 111.759 0.042 . . . . . A 70 ASN ND2 . 36060 1 728 . 1 1 71 71 LEU H H 1 6.879 0.008 . . . . . A 71 LEU H . 36060 1 729 . 1 1 71 71 LEU HA H 1 4.094 0.012 . . . . . A 71 LEU HA . 36060 1 730 . 1 1 71 71 LEU HB2 H 1 1.415 0.008 . . . . . A 71 LEU HB2 . 36060 1 731 . 1 1 71 71 LEU HB3 H 1 1.042 0.027 . . . . . A 71 LEU HB3 . 36060 1 732 . 1 1 71 71 LEU HG H 1 1.604 0.015 . . . . . A 71 LEU HG . 36060 1 733 . 1 1 71 71 LEU HD11 H 1 0.800 0.015 . . . . . A 71 LEU HD11 . 36060 1 734 . 1 1 71 71 LEU HD12 H 1 0.800 0.015 . . . . . A 71 LEU HD12 . 36060 1 735 . 1 1 71 71 LEU HD13 H 1 0.800 0.015 . . . . . A 71 LEU HD13 . 36060 1 736 . 1 1 71 71 LEU HD21 H 1 0.752 0.013 . . . . . A 71 LEU HD21 . 36060 1 737 . 1 1 71 71 LEU HD22 H 1 0.752 0.013 . . . . . A 71 LEU HD22 . 36060 1 738 . 1 1 71 71 LEU HD23 H 1 0.752 0.013 . . . . . A 71 LEU HD23 . 36060 1 739 . 1 1 71 71 LEU C C 13 174.360 0.000 . . . . . A 71 LEU C . 36060 1 740 . 1 1 71 71 LEU CA C 13 54.820 0.071 . . . . . A 71 LEU CA . 36060 1 741 . 1 1 71 71 LEU CB C 13 41.602 0.045 . . . . . A 71 LEU CB . 36060 1 742 . 1 1 71 71 LEU CG C 13 27.168 0.051 . . . . . A 71 LEU CG . 36060 1 743 . 1 1 71 71 LEU CD1 C 13 25.679 0.027 . . . . . A 71 LEU CD1 . 36060 1 744 . 1 1 71 71 LEU N N 15 118.205 0.037 . . . . . A 71 LEU N . 36060 1 745 . 1 1 72 72 VAL H H 1 7.782 0.017 . . . . . A 72 VAL H . 36060 1 746 . 1 1 72 72 VAL HA H 1 4.001 0.013 . . . . . A 72 VAL HA . 36060 1 747 . 1 1 72 72 VAL HB H 1 1.744 0.011 . . . . . A 72 VAL HB . 36060 1 748 . 1 1 72 72 VAL HG11 H 1 0.815 0.014 . . . . . A 72 VAL HG11 . 36060 1 749 . 1 1 72 72 VAL HG12 H 1 0.815 0.014 . . . . . A 72 VAL HG12 . 36060 1 750 . 1 1 72 72 VAL HG13 H 1 0.815 0.014 . . . . . A 72 VAL HG13 . 36060 1 751 . 1 1 72 72 VAL HG21 H 1 0.704 0.010 . . . . . A 72 VAL HG21 . 36060 1 752 . 1 1 72 72 VAL HG22 H 1 0.704 0.010 . . . . . A 72 VAL HG22 . 36060 1 753 . 1 1 72 72 VAL HG23 H 1 0.704 0.010 . . . . . A 72 VAL HG23 . 36060 1 754 . 1 1 72 72 VAL C C 13 174.465 0.000 . . . . . A 72 VAL C . 36060 1 755 . 1 1 72 72 VAL CA C 13 62.269 0.093 . . . . . A 72 VAL CA . 36060 1 756 . 1 1 72 72 VAL CB C 13 32.124 0.060 . . . . . A 72 VAL CB . 36060 1 757 . 1 1 72 72 VAL CG1 C 13 22.636 0.020 . . . . . A 72 VAL CG1 . 36060 1 758 . 1 1 72 72 VAL CG2 C 13 21.954 0.016 . . . . . A 72 VAL CG2 . 36060 1 759 . 1 1 72 72 VAL N N 15 118.280 0.021 . . . . . A 72 VAL N . 36060 1 760 . 1 1 73 73 TYR H H 1 8.881 0.009 . . . . . A 73 TYR H . 36060 1 761 . 1 1 73 73 TYR HA H 1 4.645 0.015 . . . . . A 73 TYR HA . 36060 1 762 . 1 1 73 73 TYR HB2 H 1 2.955 0.009 . . . . . A 73 TYR HB2 . 36060 1 763 . 1 1 73 73 TYR HB3 H 1 2.684 0.010 . . . . . A 73 TYR HB3 . 36060 1 764 . 1 1 73 73 TYR HD1 H 1 7.058 0.021 . . . . . A 73 TYR HD1 . 36060 1 765 . 1 1 73 73 TYR HD2 H 1 6.764 0.008 . . . . . A 73 TYR HD2 . 36060 1 766 . 1 1 73 73 TYR HE1 H 1 6.407 0.003 . . . . . A 73 TYR HE1 . 36060 1 767 . 1 1 73 73 TYR C C 13 174.344 0.000 . . . . . A 73 TYR C . 36060 1 768 . 1 1 73 73 TYR CA C 13 58.050 0.113 . . . . . A 73 TYR CA . 36060 1 769 . 1 1 73 73 TYR CB C 13 40.507 0.033 . . . . . A 73 TYR CB . 36060 1 770 . 1 1 73 73 TYR N N 15 127.732 0.020 . . . . . A 73 TYR N . 36060 1 771 . 1 1 74 74 VAL H H 1 9.447 0.009 . . . . . A 74 VAL H . 36060 1 772 . 1 1 74 74 VAL HA H 1 4.754 0.017 . . . . . A 74 VAL HA . 36060 1 773 . 1 1 74 74 VAL HB H 1 1.572 0.005 . . . . . A 74 VAL HB . 36060 1 774 . 1 1 74 74 VAL HG11 H 1 0.773 0.013 . . . . . A 74 VAL HG11 . 36060 1 775 . 1 1 74 74 VAL HG12 H 1 0.773 0.013 . . . . . A 74 VAL HG12 . 36060 1 776 . 1 1 74 74 VAL HG13 H 1 0.773 0.013 . . . . . A 74 VAL HG13 . 36060 1 777 . 1 1 74 74 VAL HG21 H 1 0.642 0.021 . . . . . A 74 VAL HG21 . 36060 1 778 . 1 1 74 74 VAL HG22 H 1 0.642 0.021 . . . . . A 74 VAL HG22 . 36060 1 779 . 1 1 74 74 VAL HG23 H 1 0.642 0.021 . . . . . A 74 VAL HG23 . 36060 1 780 . 1 1 74 74 VAL C C 13 180.046 0.000 . . . . . A 74 VAL C . 36060 1 781 . 1 1 74 74 VAL CA C 13 59.792 0.049 . . . . . A 74 VAL CA . 36060 1 782 . 1 1 74 74 VAL CB C 13 32.975 0.434 . . . . . A 74 VAL CB . 36060 1 783 . 1 1 74 74 VAL CG1 C 13 25.199 0.021 . . . . . A 74 VAL CG1 . 36060 1 784 . 1 1 74 74 VAL N N 15 122.608 0.022 . . . . . A 74 VAL N . 36060 1 785 . 1 1 75 75 VAL H H 1 7.217 0.017 . . . . . A 75 VAL H . 36060 1 786 . 1 1 75 75 VAL HA H 1 3.551 0.009 . . . . . A 75 VAL HA . 36060 1 787 . 1 1 75 75 VAL HB H 1 1.734 0.005 . . . . . A 75 VAL HB . 36060 1 788 . 1 1 75 75 VAL HG11 H 1 0.794 0.013 . . . . . A 75 VAL HG11 . 36060 1 789 . 1 1 75 75 VAL HG12 H 1 0.794 0.013 . . . . . A 75 VAL HG12 . 36060 1 790 . 1 1 75 75 VAL HG13 H 1 0.794 0.013 . . . . . A 75 VAL HG13 . 36060 1 791 . 1 1 75 75 VAL HG21 H 1 0.696 0.000 . . . . . A 75 VAL HG21 . 36060 1 792 . 1 1 75 75 VAL HG22 H 1 0.696 0.000 . . . . . A 75 VAL HG22 . 36060 1 793 . 1 1 75 75 VAL HG23 H 1 0.696 0.000 . . . . . A 75 VAL HG23 . 36060 1 794 . 1 1 75 75 VAL C C 13 174.404 0.000 . . . . . A 75 VAL C . 36060 1 795 . 1 1 75 75 VAL CA C 13 64.340 0.794 . . . . . A 75 VAL CA . 36060 1 796 . 1 1 75 75 VAL CB C 13 32.569 0.057 . . . . . A 75 VAL CB . 36060 1 797 . 1 1 75 75 VAL CG1 C 13 21.787 0.032 . . . . . A 75 VAL CG1 . 36060 1 798 . 1 1 75 75 VAL N N 15 120.802 0.050 . . . . . A 75 VAL N . 36060 1 799 . 1 1 76 76 ASN H H 1 7.862 0.008 . . . . . A 76 ASN H . 36060 1 800 . 1 1 76 76 ASN HA H 1 4.725 0.008 . . . . . A 76 ASN HA . 36060 1 801 . 1 1 76 76 ASN HB2 H 1 2.374 0.008 . . . . . A 76 ASN HB2 . 36060 1 802 . 1 1 76 76 ASN HB3 H 1 2.042 0.014 . . . . . A 76 ASN HB3 . 36060 1 803 . 1 1 76 76 ASN HD21 H 1 7.305 0.006 . . . . . A 76 ASN HD21 . 36060 1 804 . 1 1 76 76 ASN HD22 H 1 6.574 0.005 . . . . . A 76 ASN HD22 . 36060 1 805 . 1 1 76 76 ASN C C 13 173.774 0.000 . . . . . A 76 ASN C . 36060 1 806 . 1 1 76 76 ASN CA C 13 50.733 0.073 . . . . . A 76 ASN CA . 36060 1 807 . 1 1 76 76 ASN CB C 13 40.414 0.067 . . . . . A 76 ASN CB . 36060 1 808 . 1 1 76 76 ASN N N 15 124.038 0.049 . . . . . A 76 ASN N . 36060 1 809 . 1 1 76 76 ASN ND2 N 15 111.327 0.030 . . . . . A 76 ASN ND2 . 36060 1 810 . 1 1 77 77 TYR H H 1 8.736 0.005 . . . . . A 77 TYR H . 36060 1 811 . 1 1 77 77 TYR HA H 1 4.667 0.009 . . . . . A 77 TYR HA . 36060 1 812 . 1 1 77 77 TYR HB2 H 1 3.129 0.018 . . . . . A 77 TYR HB2 . 36060 1 813 . 1 1 77 77 TYR HB3 H 1 2.533 0.010 . . . . . A 77 TYR HB3 . 36060 1 814 . 1 1 77 77 TYR HD1 H 1 6.919 0.009 . . . . . A 77 TYR HD1 . 36060 1 815 . 1 1 77 77 TYR HE1 H 1 6.665 0.010 . . . . . A 77 TYR HE1 . 36060 1 816 . 1 1 77 77 TYR C C 13 176.274 0.000 . . . . . A 77 TYR C . 36060 1 817 . 1 1 77 77 TYR CA C 13 58.239 0.041 . . . . . A 77 TYR CA . 36060 1 818 . 1 1 77 77 TYR CB C 13 40.089 0.097 . . . . . A 77 TYR CB . 36060 1 819 . 1 1 77 77 TYR CD1 C 13 132.616 0.020 . . . . . A 77 TYR CD1 . 36060 1 820 . 1 1 77 77 TYR N N 15 121.828 0.041 . . . . . A 77 TYR N . 36060 1 stop_ save_