data_11299 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11299 _Entry.Title ; Solution structure of the SH3 domain of the human Proline-serine-threonine phosphatase-interacting protein 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2011-08-19 _Entry.Original_release_date 2011-08-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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.Entry_ID 1 M. Yoneyama . . . 11299 2 N. Tochio . . . 11299 3 S. Koshiba . . . 11299 4 M. Inoue . . . 11299 5 T. Kigawa . . . 11299 6 S. Yokoyama . . . 11299 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11299 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11299 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 256 11299 '15N chemical shifts' 65 11299 '1H chemical shifts' 403 11299 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-19 2010-08-09 original author . 11299 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DIL 'BMRB Entry Tracking System' 11299 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11299 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the SH3 domain of the human Proline-serine-threonine phosphatase-interacting protein 1 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Yoneyama . . . 11299 1 2 N. Tochio . . . 11299 1 3 S. Koshiba . . . 11299 1 4 M. Inoue . . . 11299 1 5 T. Kigawa . . . 11299 1 6 S. Yokoyama . . . 11299 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11299 _Assembly.ID 1 _Assembly.Name 'Proline-serine-threonine phosphatase-interacting protein 1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'SH3 domain' 1 $entity_1 A . yes native no no . . . 11299 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2dil . . . . . . 11299 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11299 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SH3 domain' _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 ; GSSGSSGAQEYRALYDYTAQ NPDELDLSAGDILEVILEGE DGWWTVERNGQRGFVPGSYL EKLSGPSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 69 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2DIL . "Solution Structure Of The Sh3 Domain Of The Human Proline- Serine-Threonine Phosphatase-Interacting Protein 1" . . . . . 100.00 69 100.00 100.00 3.37e-40 . . . . 11299 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' . 11299 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 . GLY . 11299 1 2 . SER . 11299 1 3 . SER . 11299 1 4 . GLY . 11299 1 5 . SER . 11299 1 6 . SER . 11299 1 7 . GLY . 11299 1 8 . ALA . 11299 1 9 . GLN . 11299 1 10 . GLU . 11299 1 11 . TYR . 11299 1 12 . ARG . 11299 1 13 . ALA . 11299 1 14 . LEU . 11299 1 15 . TYR . 11299 1 16 . ASP . 11299 1 17 . TYR . 11299 1 18 . THR . 11299 1 19 . ALA . 11299 1 20 . GLN . 11299 1 21 . ASN . 11299 1 22 . PRO . 11299 1 23 . ASP . 11299 1 24 . GLU . 11299 1 25 . LEU . 11299 1 26 . ASP . 11299 1 27 . LEU . 11299 1 28 . SER . 11299 1 29 . ALA . 11299 1 30 . GLY . 11299 1 31 . ASP . 11299 1 32 . ILE . 11299 1 33 . LEU . 11299 1 34 . GLU . 11299 1 35 . VAL . 11299 1 36 . ILE . 11299 1 37 . LEU . 11299 1 38 . GLU . 11299 1 39 . GLY . 11299 1 40 . GLU . 11299 1 41 . ASP . 11299 1 42 . GLY . 11299 1 43 . TRP . 11299 1 44 . TRP . 11299 1 45 . THR . 11299 1 46 . VAL . 11299 1 47 . GLU . 11299 1 48 . ARG . 11299 1 49 . ASN . 11299 1 50 . GLY . 11299 1 51 . GLN . 11299 1 52 . ARG . 11299 1 53 . GLY . 11299 1 54 . PHE . 11299 1 55 . VAL . 11299 1 56 . PRO . 11299 1 57 . GLY . 11299 1 58 . SER . 11299 1 59 . TYR . 11299 1 60 . LEU . 11299 1 61 . GLU . 11299 1 62 . LYS . 11299 1 63 . LEU . 11299 1 64 . SER . 11299 1 65 . GLY . 11299 1 66 . PRO . 11299 1 67 . SER . 11299 1 68 . SER . 11299 1 69 . GLY . 11299 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 . GLY 1 1 11299 1 . SER 2 2 11299 1 . SER 3 3 11299 1 . GLY 4 4 11299 1 . SER 5 5 11299 1 . SER 6 6 11299 1 . GLY 7 7 11299 1 . ALA 8 8 11299 1 . GLN 9 9 11299 1 . GLU 10 10 11299 1 . TYR 11 11 11299 1 . ARG 12 12 11299 1 . ALA 13 13 11299 1 . LEU 14 14 11299 1 . TYR 15 15 11299 1 . ASP 16 16 11299 1 . TYR 17 17 11299 1 . THR 18 18 11299 1 . ALA 19 19 11299 1 . GLN 20 20 11299 1 . ASN 21 21 11299 1 . PRO 22 22 11299 1 . ASP 23 23 11299 1 . GLU 24 24 11299 1 . LEU 25 25 11299 1 . ASP 26 26 11299 1 . LEU 27 27 11299 1 . SER 28 28 11299 1 . ALA 29 29 11299 1 . GLY 30 30 11299 1 . ASP 31 31 11299 1 . ILE 32 32 11299 1 . LEU 33 33 11299 1 . GLU 34 34 11299 1 . VAL 35 35 11299 1 . ILE 36 36 11299 1 . LEU 37 37 11299 1 . GLU 38 38 11299 1 . GLY 39 39 11299 1 . GLU 40 40 11299 1 . ASP 41 41 11299 1 . GLY 42 42 11299 1 . TRP 43 43 11299 1 . TRP 44 44 11299 1 . THR 45 45 11299 1 . VAL 46 46 11299 1 . GLU 47 47 11299 1 . ARG 48 48 11299 1 . ASN 49 49 11299 1 . GLY 50 50 11299 1 . GLN 51 51 11299 1 . ARG 52 52 11299 1 . GLY 53 53 11299 1 . PHE 54 54 11299 1 . VAL 55 55 11299 1 . PRO 56 56 11299 1 . GLY 57 57 11299 1 . SER 58 58 11299 1 . TYR 59 59 11299 1 . LEU 60 60 11299 1 . GLU 61 61 11299 1 . LYS 62 62 11299 1 . LEU 63 63 11299 1 . SER 64 64 11299 1 . GLY 65 65 11299 1 . PRO 66 66 11299 1 . SER 67 67 11299 1 . SER 68 68 11299 1 . GLY 69 69 11299 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 11299 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _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 . . . . . . . . . . . . . . . . . . . . . 11299 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 11299 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P050919-13 . . . . . . 11299 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11299 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.07mM SH3 domian {U-15N,13C;} 20mM d-Tris HCl (pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 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 'SH3 domian' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.07 . . mM . . . . 11299 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11299 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11299 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11299 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11299 1 6 H2O . . . . . . solvent 90 . . % . . . . 11299 1 7 D2O . . . . . . solvent 10 . . % . . . . 11299 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11299 _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' 120 0.1 mM 11299 1 pH 7.0 0.05 pH 11299 1 pressure 1 0.001 atm 11299 1 temperature 298 0.1 K 11299 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11299 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11299 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11299 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11299 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11299 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11299 2 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 11299 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B. A.' . . 11299 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11299 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11299 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9736 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11299 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11299 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11299 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11299 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11299 5 'structure solution' 11299 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11299 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _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 11299 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11299 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 11299 _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 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11299 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11299 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11299 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 11299 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11299 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11299 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11299 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11299 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11299 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11299 1 2 $NMRPipe . . 11299 1 3 $NMRVIEW . . 11299 1 4 $Kujira . . 11299 1 5 $CYANA . . 11299 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 6 6 SER HA H 1 5.287 0.030 . 1 . . . . 6 SER HA . 11299 1 2 . 1 1 6 6 SER HB2 H 1 4.710 0.030 . 1 . . . . 6 SER HB2 . 11299 1 3 . 1 1 6 6 SER HB3 H 1 4.710 0.030 . 1 . . . . 6 SER HB3 . 11299 1 4 . 1 1 6 6 SER C C 13 175.107 0.300 . 1 . . . . 6 SER C . 11299 1 5 . 1 1 6 6 SER CA C 13 58.786 0.300 . 1 . . . . 6 SER CA . 11299 1 6 . 1 1 6 6 SER CB C 13 64.127 0.300 . 1 . . . . 6 SER CB . 11299 1 7 . 1 1 7 7 GLY H H 1 9.216 0.030 . 1 . . . . 7 GLY H . 11299 1 8 . 1 1 7 7 GLY HA2 H 1 4.750 0.030 . 1 . . . . 7 GLY HA2 . 11299 1 9 . 1 1 7 7 GLY HA3 H 1 4.750 0.030 . 1 . . . . 7 GLY HA3 . 11299 1 10 . 1 1 7 7 GLY C C 13 173.830 0.300 . 1 . . . . 7 GLY C . 11299 1 11 . 1 1 7 7 GLY CA C 13 45.230 0.300 . 1 . . . . 7 GLY CA . 11299 1 12 . 1 1 7 7 GLY N N 15 111.085 0.300 . 1 . . . . 7 GLY N . 11299 1 13 . 1 1 8 8 ALA H H 1 8.937 0.030 . 1 . . . . 8 ALA H . 11299 1 14 . 1 1 8 8 ALA HA H 1 5.139 0.030 . 1 . . . . 8 ALA HA . 11299 1 15 . 1 1 8 8 ALA HB1 H 1 2.140 0.030 . 1 . . . . 8 ALA HB . 11299 1 16 . 1 1 8 8 ALA HB2 H 1 2.140 0.030 . 1 . . . . 8 ALA HB . 11299 1 17 . 1 1 8 8 ALA HB3 H 1 2.140 0.030 . 1 . . . . 8 ALA HB . 11299 1 18 . 1 1 8 8 ALA C C 13 177.559 0.300 . 1 . . . . 8 ALA C . 11299 1 19 . 1 1 8 8 ALA CA C 13 52.483 0.300 . 1 . . . . 8 ALA CA . 11299 1 20 . 1 1 8 8 ALA CB C 13 19.656 0.300 . 1 . . . . 8 ALA CB . 11299 1 21 . 1 1 8 8 ALA N N 15 123.809 0.300 . 1 . . . . 8 ALA N . 11299 1 22 . 1 1 9 9 GLN H H 1 9.405 0.030 . 1 . . . . 9 GLN H . 11299 1 23 . 1 1 9 9 GLN HA H 1 5.272 0.030 . 1 . . . . 9 GLN HA . 11299 1 24 . 1 1 9 9 GLN HB2 H 1 3.034 0.030 . 2 . . . . 9 GLN HB2 . 11299 1 25 . 1 1 9 9 GLN HB3 H 1 2.952 0.030 . 2 . . . . 9 GLN HB3 . 11299 1 26 . 1 1 9 9 GLN HE21 H 1 8.364 0.030 . 2 . . . . 9 GLN HE21 . 11299 1 27 . 1 1 9 9 GLN HE22 H 1 7.734 0.030 . 2 . . . . 9 GLN HE22 . 11299 1 28 . 1 1 9 9 GLN HG2 H 1 3.148 0.030 . 1 . . . . 9 GLN HG2 . 11299 1 29 . 1 1 9 9 GLN HG3 H 1 3.148 0.030 . 1 . . . . 9 GLN HG3 . 11299 1 30 . 1 1 9 9 GLN C C 13 175.396 0.300 . 1 . . . . 9 GLN C . 11299 1 31 . 1 1 9 9 GLN CA C 13 55.094 0.300 . 1 . . . . 9 GLN CA . 11299 1 32 . 1 1 9 9 GLN CB C 13 29.759 0.300 . 1 . . . . 9 GLN CB . 11299 1 33 . 1 1 9 9 GLN CG C 13 34.183 0.300 . 1 . . . . 9 GLN CG . 11299 1 34 . 1 1 9 9 GLN N N 15 120.225 0.300 . 1 . . . . 9 GLN N . 11299 1 35 . 1 1 9 9 GLN NE2 N 15 114.003 0.300 . 1 . . . . 9 GLN NE2 . 11299 1 36 . 1 1 10 10 GLU H H 1 9.100 0.030 . 1 . . . . 10 GLU H . 11299 1 37 . 1 1 10 10 GLU HA H 1 5.843 0.030 . 1 . . . . 10 GLU HA . 11299 1 38 . 1 1 10 10 GLU HB2 H 1 2.818 0.030 . 2 . . . . 10 GLU HB2 . 11299 1 39 . 1 1 10 10 GLU HB3 H 1 2.733 0.030 . 2 . . . . 10 GLU HB3 . 11299 1 40 . 1 1 10 10 GLU HG2 H 1 3.097 0.030 . 2 . . . . 10 GLU HG2 . 11299 1 41 . 1 1 10 10 GLU HG3 H 1 2.896 0.030 . 2 . . . . 10 GLU HG3 . 11299 1 42 . 1 1 10 10 GLU C C 13 175.995 0.300 . 1 . . . . 10 GLU C . 11299 1 43 . 1 1 10 10 GLU CA C 13 56.476 0.300 . 1 . . . . 10 GLU CA . 11299 1 44 . 1 1 10 10 GLU CB C 13 32.355 0.300 . 1 . . . . 10 GLU CB . 11299 1 45 . 1 1 10 10 GLU CG C 13 37.266 0.300 . 1 . . . . 10 GLU CG . 11299 1 46 . 1 1 10 10 GLU N N 15 122.508 0.300 . 1 . . . . 10 GLU N . 11299 1 47 . 1 1 11 11 TYR H H 1 9.905 0.030 . 1 . . . . 11 TYR H . 11299 1 48 . 1 1 11 11 TYR HA H 1 5.925 0.030 . 1 . . . . 11 TYR HA . 11299 1 49 . 1 1 11 11 TYR HB2 H 1 3.483 0.030 . 1 . . . . 11 TYR HB2 . 11299 1 50 . 1 1 11 11 TYR HB3 H 1 3.483 0.030 . 1 . . . . 11 TYR HB3 . 11299 1 51 . 1 1 11 11 TYR HD1 H 1 7.751 0.030 . 1 . . . . 11 TYR HD1 . 11299 1 52 . 1 1 11 11 TYR HD2 H 1 7.751 0.030 . 1 . . . . 11 TYR HD2 . 11299 1 53 . 1 1 11 11 TYR HE1 H 1 7.663 0.030 . 1 . . . . 11 TYR HE1 . 11299 1 54 . 1 1 11 11 TYR HE2 H 1 7.663 0.030 . 1 . . . . 11 TYR HE2 . 11299 1 55 . 1 1 11 11 TYR C C 13 173.488 0.300 . 1 . . . . 11 TYR C . 11299 1 56 . 1 1 11 11 TYR CA C 13 56.548 0.300 . 1 . . . . 11 TYR CA . 11299 1 57 . 1 1 11 11 TYR CB C 13 43.649 0.300 . 1 . . . . 11 TYR CB . 11299 1 58 . 1 1 11 11 TYR CD1 C 13 133.642 0.300 . 1 . . . . 11 TYR CD1 . 11299 1 59 . 1 1 11 11 TYR CD2 C 13 133.642 0.300 . 1 . . . . 11 TYR CD2 . 11299 1 60 . 1 1 11 11 TYR CE1 C 13 118.221 0.300 . 1 . . . . 11 TYR CE1 . 11299 1 61 . 1 1 11 11 TYR CE2 C 13 118.221 0.300 . 1 . . . . 11 TYR CE2 . 11299 1 62 . 1 1 11 11 TYR N N 15 122.315 0.300 . 1 . . . . 11 TYR N . 11299 1 63 . 1 1 12 12 ARG H H 1 10.222 0.030 . 1 . . . . 12 ARG H . 11299 1 64 . 1 1 12 12 ARG HA H 1 6.515 0.030 . 1 . . . . 12 ARG HA . 11299 1 65 . 1 1 12 12 ARG HB2 H 1 2.528 0.030 . 2 . . . . 12 ARG HB2 . 11299 1 66 . 1 1 12 12 ARG HB3 H 1 2.268 0.030 . 2 . . . . 12 ARG HB3 . 11299 1 67 . 1 1 12 12 ARG HD2 H 1 3.952 0.030 . 2 . . . . 12 ARG HD2 . 11299 1 68 . 1 1 12 12 ARG HD3 H 1 3.857 0.030 . 2 . . . . 12 ARG HD3 . 11299 1 69 . 1 1 12 12 ARG HG2 H 1 2.242 0.030 . 2 . . . . 12 ARG HG2 . 11299 1 70 . 1 1 12 12 ARG HG3 H 1 2.175 0.030 . 2 . . . . 12 ARG HG3 . 11299 1 71 . 1 1 12 12 ARG C C 13 176.109 0.300 . 1 . . . . 12 ARG C . 11299 1 72 . 1 1 12 12 ARG CA C 13 52.889 0.300 . 1 . . . . 12 ARG CA . 11299 1 73 . 1 1 12 12 ARG CB C 13 34.735 0.300 . 1 . . . . 12 ARG CB . 11299 1 74 . 1 1 12 12 ARG CD C 13 43.800 0.300 . 1 . . . . 12 ARG CD . 11299 1 75 . 1 1 12 12 ARG CG C 13 26.829 0.300 . 1 . . . . 12 ARG CG . 11299 1 76 . 1 1 12 12 ARG N N 15 119.008 0.300 . 1 . . . . 12 ARG N . 11299 1 77 . 1 1 13 13 ALA H H 1 9.872 0.030 . 1 . . . . 13 ALA H . 11299 1 78 . 1 1 13 13 ALA HA H 1 5.537 0.030 . 1 . . . . 13 ALA HA . 11299 1 79 . 1 1 13 13 ALA HB1 H 1 2.309 0.030 . 1 . . . . 13 ALA HB . 11299 1 80 . 1 1 13 13 ALA HB2 H 1 2.309 0.030 . 1 . . . . 13 ALA HB . 11299 1 81 . 1 1 13 13 ALA HB3 H 1 2.309 0.030 . 1 . . . . 13 ALA HB . 11299 1 82 . 1 1 13 13 ALA C C 13 178.575 0.300 . 1 . . . . 13 ALA C . 11299 1 83 . 1 1 13 13 ALA CA C 13 51.558 0.300 . 1 . . . . 13 ALA CA . 11299 1 84 . 1 1 13 13 ALA CB C 13 19.608 0.300 . 1 . . . . 13 ALA CB . 11299 1 85 . 1 1 13 13 ALA N N 15 125.995 0.300 . 1 . . . . 13 ALA N . 11299 1 86 . 1 1 14 14 LEU H H 1 10.289 0.030 . 1 . . . . 14 LEU H . 11299 1 87 . 1 1 14 14 LEU HA H 1 4.565 0.030 . 1 . . . . 14 LEU HA . 11299 1 88 . 1 1 14 14 LEU HB2 H 1 1.540 0.030 . 2 . . . . 14 LEU HB2 . 11299 1 89 . 1 1 14 14 LEU HB3 H 1 1.027 0.030 . 2 . . . . 14 LEU HB3 . 11299 1 90 . 1 1 14 14 LEU HD11 H 1 1.372 0.030 . 1 . . . . 14 LEU HD1 . 11299 1 91 . 1 1 14 14 LEU HD12 H 1 1.372 0.030 . 1 . . . . 14 LEU HD1 . 11299 1 92 . 1 1 14 14 LEU HD13 H 1 1.372 0.030 . 1 . . . . 14 LEU HD1 . 11299 1 93 . 1 1 14 14 LEU HD21 H 1 1.349 0.030 . 1 . . . . 14 LEU HD2 . 11299 1 94 . 1 1 14 14 LEU HD22 H 1 1.349 0.030 . 1 . . . . 14 LEU HD2 . 11299 1 95 . 1 1 14 14 LEU HD23 H 1 1.349 0.030 . 1 . . . . 14 LEU HD2 . 11299 1 96 . 1 1 14 14 LEU HG H 1 1.937 0.030 . 1 . . . . 14 LEU HG . 11299 1 97 . 1 1 14 14 LEU C C 13 175.859 0.300 . 1 . . . . 14 LEU C . 11299 1 98 . 1 1 14 14 LEU CA C 13 56.204 0.300 . 1 . . . . 14 LEU CA . 11299 1 99 . 1 1 14 14 LEU CB C 13 43.545 0.300 . 1 . . . . 14 LEU CB . 11299 1 100 . 1 1 14 14 LEU CD1 C 13 25.201 0.300 . 2 . . . . 14 LEU CD1 . 11299 1 101 . 1 1 14 14 LEU CD2 C 13 22.647 0.300 . 2 . . . . 14 LEU CD2 . 11299 1 102 . 1 1 14 14 LEU CG C 13 26.849 0.300 . 1 . . . . 14 LEU CG . 11299 1 103 . 1 1 14 14 LEU N N 15 126.482 0.300 . 1 . . . . 14 LEU N . 11299 1 104 . 1 1 15 15 TYR H H 1 7.486 0.030 . 1 . . . . 15 TYR H . 11299 1 105 . 1 1 15 15 TYR HA H 1 5.647 0.030 . 1 . . . . 15 TYR HA . 11299 1 106 . 1 1 15 15 TYR HB2 H 1 4.039 0.030 . 2 . . . . 15 TYR HB2 . 11299 1 107 . 1 1 15 15 TYR HB3 H 1 3.156 0.030 . 2 . . . . 15 TYR HB3 . 11299 1 108 . 1 1 15 15 TYR HD1 H 1 7.262 0.030 . 1 . . . . 15 TYR HD1 . 11299 1 109 . 1 1 15 15 TYR HD2 H 1 7.262 0.030 . 1 . . . . 15 TYR HD2 . 11299 1 110 . 1 1 15 15 TYR HE1 H 1 7.330 0.030 . 1 . . . . 15 TYR HE1 . 11299 1 111 . 1 1 15 15 TYR HE2 H 1 7.330 0.030 . 1 . . . . 15 TYR HE2 . 11299 1 112 . 1 1 15 15 TYR C C 13 173.310 0.300 . 1 . . . . 15 TYR C . 11299 1 113 . 1 1 15 15 TYR CA C 13 53.445 0.300 . 1 . . . . 15 TYR CA . 11299 1 114 . 1 1 15 15 TYR CB C 13 42.351 0.300 . 1 . . . . 15 TYR CB . 11299 1 115 . 1 1 15 15 TYR CD1 C 13 133.764 0.300 . 1 . . . . 15 TYR CD1 . 11299 1 116 . 1 1 15 15 TYR CD2 C 13 133.764 0.300 . 1 . . . . 15 TYR CD2 . 11299 1 117 . 1 1 15 15 TYR CE1 C 13 117.598 0.300 . 1 . . . . 15 TYR CE1 . 11299 1 118 . 1 1 15 15 TYR CE2 C 13 117.598 0.300 . 1 . . . . 15 TYR CE2 . 11299 1 119 . 1 1 15 15 TYR N N 15 111.457 0.300 . 1 . . . . 15 TYR N . 11299 1 120 . 1 1 16 16 ASP H H 1 8.989 0.030 . 1 . . . . 16 ASP H . 11299 1 121 . 1 1 16 16 ASP HA H 1 5.346 0.030 . 1 . . . . 16 ASP HA . 11299 1 122 . 1 1 16 16 ASP HB2 H 1 3.652 0.030 . 2 . . . . 16 ASP HB2 . 11299 1 123 . 1 1 16 16 ASP HB3 H 1 3.328 0.030 . 2 . . . . 16 ASP HB3 . 11299 1 124 . 1 1 16 16 ASP C C 13 175.844 0.300 . 1 . . . . 16 ASP C . 11299 1 125 . 1 1 16 16 ASP CA C 13 54.199 0.300 . 1 . . . . 16 ASP CA . 11299 1 126 . 1 1 16 16 ASP CB C 13 41.609 0.300 . 1 . . . . 16 ASP CB . 11299 1 127 . 1 1 16 16 ASP N N 15 117.466 0.300 . 1 . . . . 16 ASP N . 11299 1 128 . 1 1 17 17 TYR H H 1 9.918 0.030 . 1 . . . . 17 TYR H . 11299 1 129 . 1 1 17 17 TYR HA H 1 5.600 0.030 . 1 . . . . 17 TYR HA . 11299 1 130 . 1 1 17 17 TYR HB2 H 1 3.857 0.030 . 2 . . . . 17 TYR HB2 . 11299 1 131 . 1 1 17 17 TYR HB3 H 1 3.403 0.030 . 2 . . . . 17 TYR HB3 . 11299 1 132 . 1 1 17 17 TYR HD1 H 1 8.013 0.030 . 1 . . . . 17 TYR HD1 . 11299 1 133 . 1 1 17 17 TYR HD2 H 1 8.013 0.030 . 1 . . . . 17 TYR HD2 . 11299 1 134 . 1 1 17 17 TYR HE1 H 1 7.681 0.030 . 1 . . . . 17 TYR HE1 . 11299 1 135 . 1 1 17 17 TYR HE2 H 1 7.681 0.030 . 1 . . . . 17 TYR HE2 . 11299 1 136 . 1 1 17 17 TYR C C 13 174.607 0.300 . 1 . . . . 17 TYR C . 11299 1 137 . 1 1 17 17 TYR CA C 13 59.015 0.300 . 1 . . . . 17 TYR CA . 11299 1 138 . 1 1 17 17 TYR CB C 13 43.057 0.300 . 1 . . . . 17 TYR CB . 11299 1 139 . 1 1 17 17 TYR CD1 C 13 132.949 0.300 . 1 . . . . 17 TYR CD1 . 11299 1 140 . 1 1 17 17 TYR CD2 C 13 132.949 0.300 . 1 . . . . 17 TYR CD2 . 11299 1 141 . 1 1 17 17 TYR CE1 C 13 117.769 0.300 . 1 . . . . 17 TYR CE1 . 11299 1 142 . 1 1 17 17 TYR CE2 C 13 117.769 0.300 . 1 . . . . 17 TYR CE2 . 11299 1 143 . 1 1 17 17 TYR N N 15 120.943 0.300 . 1 . . . . 17 TYR N . 11299 1 144 . 1 1 18 18 THR H H 1 8.310 0.030 . 1 . . . . 18 THR H . 11299 1 145 . 1 1 18 18 THR HA H 1 5.241 0.030 . 1 . . . . 18 THR HA . 11299 1 146 . 1 1 18 18 THR HB H 1 4.388 0.030 . 1 . . . . 18 THR HB . 11299 1 147 . 1 1 18 18 THR HG21 H 1 1.864 0.030 . 1 . . . . 18 THR HG2 . 11299 1 148 . 1 1 18 18 THR HG22 H 1 1.864 0.030 . 1 . . . . 18 THR HG2 . 11299 1 149 . 1 1 18 18 THR HG23 H 1 1.864 0.030 . 1 . . . . 18 THR HG2 . 11299 1 150 . 1 1 18 18 THR C C 13 172.311 0.300 . 1 . . . . 18 THR C . 11299 1 151 . 1 1 18 18 THR CA C 13 60.764 0.300 . 1 . . . . 18 THR CA . 11299 1 152 . 1 1 18 18 THR CB C 13 69.749 0.300 . 1 . . . . 18 THR CB . 11299 1 153 . 1 1 18 18 THR CG2 C 13 21.612 0.300 . 1 . . . . 18 THR CG2 . 11299 1 154 . 1 1 18 18 THR N N 15 125.784 0.300 . 1 . . . . 18 THR N . 11299 1 155 . 1 1 19 19 ALA H H 1 9.701 0.030 . 1 . . . . 19 ALA H . 11299 1 156 . 1 1 19 19 ALA HA H 1 4.995 0.030 . 1 . . . . 19 ALA HA . 11299 1 157 . 1 1 19 19 ALA HB1 H 1 2.035 0.030 . 1 . . . . 19 ALA HB . 11299 1 158 . 1 1 19 19 ALA HB2 H 1 2.035 0.030 . 1 . . . . 19 ALA HB . 11299 1 159 . 1 1 19 19 ALA HB3 H 1 2.035 0.030 . 1 . . . . 19 ALA HB . 11299 1 160 . 1 1 19 19 ALA C C 13 179.263 0.300 . 1 . . . . 19 ALA C . 11299 1 161 . 1 1 19 19 ALA CA C 13 53.092 0.300 . 1 . . . . 19 ALA CA . 11299 1 162 . 1 1 19 19 ALA CB C 13 19.704 0.300 . 1 . . . . 19 ALA CB . 11299 1 163 . 1 1 19 19 ALA N N 15 129.450 0.300 . 1 . . . . 19 ALA N . 11299 1 164 . 1 1 20 20 GLN H H 1 9.903 0.030 . 1 . . . . 20 GLN H . 11299 1 165 . 1 1 20 20 GLN HA H 1 4.979 0.030 . 1 . . . . 20 GLN HA . 11299 1 166 . 1 1 20 20 GLN HB2 H 1 3.056 0.030 . 2 . . . . 20 GLN HB2 . 11299 1 167 . 1 1 20 20 GLN HB3 H 1 2.899 0.030 . 2 . . . . 20 GLN HB3 . 11299 1 168 . 1 1 20 20 GLN HE21 H 1 8.299 0.030 . 2 . . . . 20 GLN HE21 . 11299 1 169 . 1 1 20 20 GLN HE22 H 1 7.693 0.030 . 2 . . . . 20 GLN HE22 . 11299 1 170 . 1 1 20 20 GLN HG2 H 1 3.338 0.030 . 2 . . . . 20 GLN HG2 . 11299 1 171 . 1 1 20 20 GLN HG3 H 1 3.226 0.030 . 2 . . . . 20 GLN HG3 . 11299 1 172 . 1 1 20 20 GLN C C 13 175.107 0.300 . 1 . . . . 20 GLN C . 11299 1 173 . 1 1 20 20 GLN CA C 13 55.238 0.300 . 1 . . . . 20 GLN CA . 11299 1 174 . 1 1 20 20 GLN CB C 13 30.773 0.300 . 1 . . . . 20 GLN CB . 11299 1 175 . 1 1 20 20 GLN CG C 13 34.240 0.300 . 1 . . . . 20 GLN CG . 11299 1 176 . 1 1 20 20 GLN N N 15 120.930 0.300 . 1 . . . . 20 GLN N . 11299 1 177 . 1 1 20 20 GLN NE2 N 15 114.527 0.300 . 1 . . . . 20 GLN NE2 . 11299 1 178 . 1 1 21 21 ASN H H 1 8.185 0.030 . 1 . . . . 21 ASN H . 11299 1 179 . 1 1 21 21 ASN HA H 1 5.724 0.030 . 1 . . . . 21 ASN HA . 11299 1 180 . 1 1 21 21 ASN HB2 H 1 3.575 0.030 . 2 . . . . 21 ASN HB2 . 11299 1 181 . 1 1 21 21 ASN HB3 H 1 3.389 0.030 . 2 . . . . 21 ASN HB3 . 11299 1 182 . 1 1 21 21 ASN HD21 H 1 8.302 0.030 . 2 . . . . 21 ASN HD21 . 11299 1 183 . 1 1 21 21 ASN HD22 H 1 7.377 0.030 . 2 . . . . 21 ASN HD22 . 11299 1 184 . 1 1 21 21 ASN C C 13 174.287 0.300 . 1 . . . . 21 ASN C . 11299 1 185 . 1 1 21 21 ASN CA C 13 51.650 0.300 . 1 . . . . 21 ASN CA . 11299 1 186 . 1 1 21 21 ASN CB C 13 40.515 0.300 . 1 . . . . 21 ASN CB . 11299 1 187 . 1 1 21 21 ASN N N 15 114.729 0.300 . 1 . . . . 21 ASN N . 11299 1 188 . 1 1 21 21 ASN ND2 N 15 115.955 0.300 . 1 . . . . 21 ASN ND2 . 11299 1 189 . 1 1 22 22 PRO HA H 1 5.274 0.030 . 1 . . . . 22 PRO HA . 11299 1 190 . 1 1 22 22 PRO HB2 H 1 3.214 0.030 . 2 . . . . 22 PRO HB2 . 11299 1 191 . 1 1 22 22 PRO HB3 H 1 2.732 0.030 . 2 . . . . 22 PRO HB3 . 11299 1 192 . 1 1 22 22 PRO HD2 H 1 4.596 0.030 . 2 . . . . 22 PRO HD2 . 11299 1 193 . 1 1 22 22 PRO HD3 H 1 4.494 0.030 . 2 . . . . 22 PRO HD3 . 11299 1 194 . 1 1 22 22 PRO HG2 H 1 2.833 0.030 . 2 . . . . 22 PRO HG2 . 11299 1 195 . 1 1 22 22 PRO HG3 H 1 2.734 0.030 . 2 . . . . 22 PRO HG3 . 11299 1 196 . 1 1 22 22 PRO CA C 13 64.767 0.300 . 1 . . . . 22 PRO CA . 11299 1 197 . 1 1 22 22 PRO CB C 13 32.180 0.300 . 1 . . . . 22 PRO CB . 11299 1 198 . 1 1 22 22 PRO CD C 13 51.240 0.300 . 1 . . . . 22 PRO CD . 11299 1 199 . 1 1 22 22 PRO CG C 13 27.386 0.300 . 1 . . . . 22 PRO CG . 11299 1 200 . 1 1 23 23 ASP H H 1 9.039 0.030 . 1 . . . . 23 ASP H . 11299 1 201 . 1 1 23 23 ASP HA H 1 5.504 0.030 . 1 . . . . 23 ASP HA . 11299 1 202 . 1 1 23 23 ASP HB2 H 1 3.682 0.030 . 2 . . . . 23 ASP HB2 . 11299 1 203 . 1 1 23 23 ASP HB3 H 1 3.543 0.030 . 2 . . . . 23 ASP HB3 . 11299 1 204 . 1 1 23 23 ASP CA C 13 54.193 0.300 . 1 . . . . 23 ASP CA . 11299 1 205 . 1 1 23 23 ASP CB C 13 40.393 0.300 . 1 . . . . 23 ASP CB . 11299 1 206 . 1 1 23 23 ASP N N 15 114.906 0.300 . 1 . . . . 23 ASP N . 11299 1 207 . 1 1 24 24 GLU H H 1 8.392 0.030 . 1 . . . . 24 GLU H . 11299 1 208 . 1 1 24 24 GLU HA H 1 6.220 0.030 . 1 . . . . 24 GLU HA . 11299 1 209 . 1 1 24 24 GLU HB2 H 1 3.371 0.030 . 2 . . . . 24 GLU HB2 . 11299 1 210 . 1 1 24 24 GLU HB3 H 1 2.954 0.030 . 2 . . . . 24 GLU HB3 . 11299 1 211 . 1 1 24 24 GLU HG2 H 1 3.133 0.030 . 2 . . . . 24 GLU HG2 . 11299 1 212 . 1 1 24 24 GLU HG3 H 1 3.058 0.030 . 2 . . . . 24 GLU HG3 . 11299 1 213 . 1 1 24 24 GLU C C 13 175.605 0.300 . 1 . . . . 24 GLU C . 11299 1 214 . 1 1 24 24 GLU CA C 13 54.872 0.300 . 1 . . . . 24 GLU CA . 11299 1 215 . 1 1 24 24 GLU CB C 13 33.442 0.300 . 1 . . . . 24 GLU CB . 11299 1 216 . 1 1 24 24 GLU CG C 13 36.573 0.300 . 1 . . . . 24 GLU CG . 11299 1 217 . 1 1 24 24 GLU N N 15 119.926 0.300 . 1 . . . . 24 GLU N . 11299 1 218 . 1 1 25 25 LEU H H 1 8.503 0.030 . 1 . . . . 25 LEU H . 11299 1 219 . 1 1 25 25 LEU HA H 1 5.432 0.030 . 1 . . . . 25 LEU HA . 11299 1 220 . 1 1 25 25 LEU HB2 H 1 2.301 0.030 . 2 . . . . 25 LEU HB2 . 11299 1 221 . 1 1 25 25 LEU HB3 H 1 1.844 0.030 . 2 . . . . 25 LEU HB3 . 11299 1 222 . 1 1 25 25 LEU HD11 H 1 1.484 0.030 . 1 . . . . 25 LEU HD1 . 11299 1 223 . 1 1 25 25 LEU HD12 H 1 1.484 0.030 . 1 . . . . 25 LEU HD1 . 11299 1 224 . 1 1 25 25 LEU HD13 H 1 1.484 0.030 . 1 . . . . 25 LEU HD1 . 11299 1 225 . 1 1 25 25 LEU HD21 H 1 1.450 0.030 . 1 . . . . 25 LEU HD2 . 11299 1 226 . 1 1 25 25 LEU HD22 H 1 1.450 0.030 . 1 . . . . 25 LEU HD2 . 11299 1 227 . 1 1 25 25 LEU HD23 H 1 1.450 0.030 . 1 . . . . 25 LEU HD2 . 11299 1 228 . 1 1 25 25 LEU HG H 1 2.226 0.030 . 1 . . . . 25 LEU HG . 11299 1 229 . 1 1 25 25 LEU C C 13 175.284 0.300 . 1 . . . . 25 LEU C . 11299 1 230 . 1 1 25 25 LEU CA C 13 53.180 0.300 . 1 . . . . 25 LEU CA . 11299 1 231 . 1 1 25 25 LEU CB C 13 44.839 0.300 . 1 . . . . 25 LEU CB . 11299 1 232 . 1 1 25 25 LEU CD1 C 13 25.653 0.300 . 2 . . . . 25 LEU CD1 . 11299 1 233 . 1 1 25 25 LEU CD2 C 13 24.088 0.300 . 2 . . . . 25 LEU CD2 . 11299 1 234 . 1 1 25 25 LEU CG C 13 26.922 0.300 . 1 . . . . 25 LEU CG . 11299 1 235 . 1 1 25 25 LEU N N 15 120.092 0.300 . 1 . . . . 25 LEU N . 11299 1 236 . 1 1 26 26 ASP H H 1 8.476 0.030 . 1 . . . . 26 ASP H . 11299 1 237 . 1 1 26 26 ASP HA H 1 5.706 0.030 . 1 . . . . 26 ASP HA . 11299 1 238 . 1 1 26 26 ASP HB2 H 1 3.566 0.030 . 2 . . . . 26 ASP HB2 . 11299 1 239 . 1 1 26 26 ASP HB3 H 1 3.248 0.030 . 2 . . . . 26 ASP HB3 . 11299 1 240 . 1 1 26 26 ASP C C 13 176.553 0.300 . 1 . . . . 26 ASP C . 11299 1 241 . 1 1 26 26 ASP CA C 13 54.205 0.300 . 1 . . . . 26 ASP CA . 11299 1 242 . 1 1 26 26 ASP CB C 13 42.562 0.300 . 1 . . . . 26 ASP CB . 11299 1 243 . 1 1 26 26 ASP N N 15 117.850 0.300 . 1 . . . . 26 ASP N . 11299 1 244 . 1 1 27 27 LEU H H 1 10.244 0.030 . 1 . . . . 27 LEU H . 11299 1 245 . 1 1 27 27 LEU HA H 1 5.493 0.030 . 1 . . . . 27 LEU HA . 11299 1 246 . 1 1 27 27 LEU HB2 H 1 2.869 0.030 . 2 . . . . 27 LEU HB2 . 11299 1 247 . 1 1 27 27 LEU HB3 H 1 2.130 0.030 . 2 . . . . 27 LEU HB3 . 11299 1 248 . 1 1 27 27 LEU HD11 H 1 1.635 0.030 . 1 . . . . 27 LEU HD1 . 11299 1 249 . 1 1 27 27 LEU HD12 H 1 1.635 0.030 . 1 . . . . 27 LEU HD1 . 11299 1 250 . 1 1 27 27 LEU HD13 H 1 1.635 0.030 . 1 . . . . 27 LEU HD1 . 11299 1 251 . 1 1 27 27 LEU HD21 H 1 1.792 0.030 . 1 . . . . 27 LEU HD2 . 11299 1 252 . 1 1 27 27 LEU HD22 H 1 1.792 0.030 . 1 . . . . 27 LEU HD2 . 11299 1 253 . 1 1 27 27 LEU HD23 H 1 1.792 0.030 . 1 . . . . 27 LEU HD2 . 11299 1 254 . 1 1 27 27 LEU HG H 1 2.635 0.030 . 1 . . . . 27 LEU HG . 11299 1 255 . 1 1 27 27 LEU C C 13 177.625 0.300 . 1 . . . . 27 LEU C . 11299 1 256 . 1 1 27 27 LEU CA C 13 54.185 0.300 . 1 . . . . 27 LEU CA . 11299 1 257 . 1 1 27 27 LEU CB C 13 46.463 0.300 . 1 . . . . 27 LEU CB . 11299 1 258 . 1 1 27 27 LEU CD1 C 13 25.405 0.300 . 2 . . . . 27 LEU CD1 . 11299 1 259 . 1 1 27 27 LEU CD2 C 13 25.086 0.300 . 2 . . . . 27 LEU CD2 . 11299 1 260 . 1 1 27 27 LEU CG C 13 25.879 0.300 . 1 . . . . 27 LEU CG . 11299 1 261 . 1 1 27 27 LEU N N 15 117.050 0.300 . 1 . . . . 27 LEU N . 11299 1 262 . 1 1 28 28 SER H H 1 9.400 0.030 . 1 . . . . 28 SER H . 11299 1 263 . 1 1 28 28 SER HA H 1 5.896 0.030 . 1 . . . . 28 SER HA . 11299 1 264 . 1 1 28 28 SER HB2 H 1 4.564 0.030 . 2 . . . . 28 SER HB2 . 11299 1 265 . 1 1 28 28 SER HB3 H 1 4.512 0.030 . 2 . . . . 28 SER HB3 . 11299 1 266 . 1 1 28 28 SER C C 13 173.469 0.300 . 1 . . . . 28 SER C . 11299 1 267 . 1 1 28 28 SER CA C 13 56.602 0.300 . 1 . . . . 28 SER CA . 11299 1 268 . 1 1 28 28 SER CB C 13 64.030 0.300 . 1 . . . . 28 SER CB . 11299 1 269 . 1 1 28 28 SER N N 15 120.143 0.300 . 1 . . . . 28 SER N . 11299 1 270 . 1 1 29 29 ALA H H 1 9.876 0.030 . 1 . . . . 29 ALA H . 11299 1 271 . 1 1 29 29 ALA HA H 1 4.166 0.030 . 1 . . . . 29 ALA HA . 11299 1 272 . 1 1 29 29 ALA HB1 H 1 1.941 0.030 . 1 . . . . 29 ALA HB . 11299 1 273 . 1 1 29 29 ALA HB2 H 1 1.941 0.030 . 1 . . . . 29 ALA HB . 11299 1 274 . 1 1 29 29 ALA HB3 H 1 1.941 0.030 . 1 . . . . 29 ALA HB . 11299 1 275 . 1 1 29 29 ALA C C 13 178.498 0.300 . 1 . . . . 29 ALA C . 11299 1 276 . 1 1 29 29 ALA CA C 13 54.024 0.300 . 1 . . . . 29 ALA CA . 11299 1 277 . 1 1 29 29 ALA CB C 13 17.728 0.300 . 1 . . . . 29 ALA CB . 11299 1 278 . 1 1 29 29 ALA N N 15 127.633 0.300 . 1 . . . . 29 ALA N . 11299 1 279 . 1 1 30 30 GLY H H 1 9.935 0.030 . 1 . . . . 30 GLY H . 11299 1 280 . 1 1 30 30 GLY HA2 H 1 5.284 0.030 . 2 . . . . 30 GLY HA2 . 11299 1 281 . 1 1 30 30 GLY HA3 H 1 4.205 0.030 . 2 . . . . 30 GLY HA3 . 11299 1 282 . 1 1 30 30 GLY C C 13 174.779 0.300 . 1 . . . . 30 GLY C . 11299 1 283 . 1 1 30 30 GLY CA C 13 44.766 0.300 . 1 . . . . 30 GLY CA . 11299 1 284 . 1 1 30 30 GLY N N 15 112.591 0.300 . 1 . . . . 30 GLY N . 11299 1 285 . 1 1 31 31 ASP H H 1 9.289 0.030 . 1 . . . . 31 ASP H . 11299 1 286 . 1 1 31 31 ASP HA H 1 5.232 0.030 . 1 . . . . 31 ASP HA . 11299 1 287 . 1 1 31 31 ASP HB2 H 1 3.505 0.030 . 2 . . . . 31 ASP HB2 . 11299 1 288 . 1 1 31 31 ASP HB3 H 1 3.219 0.030 . 2 . . . . 31 ASP HB3 . 11299 1 289 . 1 1 31 31 ASP C C 13 174.937 0.300 . 1 . . . . 31 ASP C . 11299 1 290 . 1 1 31 31 ASP CA C 13 55.879 0.300 . 1 . . . . 31 ASP CA . 11299 1 291 . 1 1 31 31 ASP CB C 13 42.469 0.300 . 1 . . . . 31 ASP CB . 11299 1 292 . 1 1 31 31 ASP N N 15 122.666 0.300 . 1 . . . . 31 ASP N . 11299 1 293 . 1 1 32 32 ILE H H 1 9.096 0.030 . 1 . . . . 32 ILE H . 11299 1 294 . 1 1 32 32 ILE HA H 1 5.772 0.030 . 1 . . . . 32 ILE HA . 11299 1 295 . 1 1 32 32 ILE HB H 1 2.693 0.030 . 1 . . . . 32 ILE HB . 11299 1 296 . 1 1 32 32 ILE HD11 H 1 1.625 0.030 . 1 . . . . 32 ILE HD1 . 11299 1 297 . 1 1 32 32 ILE HD12 H 1 1.625 0.030 . 1 . . . . 32 ILE HD1 . 11299 1 298 . 1 1 32 32 ILE HD13 H 1 1.625 0.030 . 1 . . . . 32 ILE HD1 . 11299 1 299 . 1 1 32 32 ILE HG12 H 1 2.442 0.030 . 2 . . . . 32 ILE HG12 . 11299 1 300 . 1 1 32 32 ILE HG13 H 1 2.149 0.030 . 2 . . . . 32 ILE HG13 . 11299 1 301 . 1 1 32 32 ILE HG21 H 1 1.727 0.030 . 1 . . . . 32 ILE HG2 . 11299 1 302 . 1 1 32 32 ILE HG22 H 1 1.727 0.030 . 1 . . . . 32 ILE HG2 . 11299 1 303 . 1 1 32 32 ILE HG23 H 1 1.727 0.030 . 1 . . . . 32 ILE HG2 . 11299 1 304 . 1 1 32 32 ILE C C 13 176.264 0.300 . 1 . . . . 32 ILE C . 11299 1 305 . 1 1 32 32 ILE CA C 13 59.593 0.300 . 1 . . . . 32 ILE CA . 11299 1 306 . 1 1 32 32 ILE CB C 13 37.653 0.300 . 1 . . . . 32 ILE CB . 11299 1 307 . 1 1 32 32 ILE CD1 C 13 11.558 0.300 . 1 . . . . 32 ILE CD1 . 11299 1 308 . 1 1 32 32 ILE CG1 C 13 27.385 0.300 . 1 . . . . 32 ILE CG1 . 11299 1 309 . 1 1 32 32 ILE CG2 C 13 17.728 0.300 . 1 . . . . 32 ILE CG2 . 11299 1 310 . 1 1 32 32 ILE N N 15 120.709 0.300 . 1 . . . . 32 ILE N . 11299 1 311 . 1 1 33 33 LEU H H 1 10.121 0.030 . 1 . . . . 33 LEU H . 11299 1 312 . 1 1 33 33 LEU HA H 1 5.838 0.030 . 1 . . . . 33 LEU HA . 11299 1 313 . 1 1 33 33 LEU HB2 H 1 2.346 0.030 . 2 . . . . 33 LEU HB2 . 11299 1 314 . 1 1 33 33 LEU HB3 H 1 2.421 0.030 . 2 . . . . 33 LEU HB3 . 11299 1 315 . 1 1 33 33 LEU HD11 H 1 1.630 0.030 . 1 . . . . 33 LEU HD1 . 11299 1 316 . 1 1 33 33 LEU HD12 H 1 1.630 0.030 . 1 . . . . 33 LEU HD1 . 11299 1 317 . 1 1 33 33 LEU HD13 H 1 1.630 0.030 . 1 . . . . 33 LEU HD1 . 11299 1 318 . 1 1 33 33 LEU HD21 H 1 1.643 0.030 . 1 . . . . 33 LEU HD2 . 11299 1 319 . 1 1 33 33 LEU HD22 H 1 1.643 0.030 . 1 . . . . 33 LEU HD2 . 11299 1 320 . 1 1 33 33 LEU HD23 H 1 1.643 0.030 . 1 . . . . 33 LEU HD2 . 11299 1 321 . 1 1 33 33 LEU HG H 1 2.451 0.030 . 1 . . . . 33 LEU HG . 11299 1 322 . 1 1 33 33 LEU C C 13 175.176 0.300 . 1 . . . . 33 LEU C . 11299 1 323 . 1 1 33 33 LEU CA C 13 53.611 0.300 . 1 . . . . 33 LEU CA . 11299 1 324 . 1 1 33 33 LEU CB C 13 45.062 0.300 . 1 . . . . 33 LEU CB . 11299 1 325 . 1 1 33 33 LEU CD1 C 13 26.434 0.300 . 2 . . . . 33 LEU CD1 . 11299 1 326 . 1 1 33 33 LEU CD2 C 13 26.147 0.300 . 2 . . . . 33 LEU CD2 . 11299 1 327 . 1 1 33 33 LEU CG C 13 27.631 0.300 . 1 . . . . 33 LEU CG . 11299 1 328 . 1 1 33 33 LEU N N 15 127.073 0.300 . 1 . . . . 33 LEU N . 11299 1 329 . 1 1 34 34 GLU H H 1 9.060 0.030 . 1 . . . . 34 GLU H . 11299 1 330 . 1 1 34 34 GLU HA H 1 5.752 0.030 . 1 . . . . 34 GLU HA . 11299 1 331 . 1 1 34 34 GLU HB2 H 1 2.744 0.030 . 1 . . . . 34 GLU HB2 . 11299 1 332 . 1 1 34 34 GLU HB3 H 1 2.744 0.030 . 1 . . . . 34 GLU HB3 . 11299 1 333 . 1 1 34 34 GLU HG2 H 1 3.114 0.030 . 2 . . . . 34 GLU HG2 . 11299 1 334 . 1 1 34 34 GLU HG3 H 1 2.878 0.030 . 2 . . . . 34 GLU HG3 . 11299 1 335 . 1 1 34 34 GLU C C 13 176.260 0.300 . 1 . . . . 34 GLU C . 11299 1 336 . 1 1 34 34 GLU CA C 13 54.869 0.300 . 1 . . . . 34 GLU CA . 11299 1 337 . 1 1 34 34 GLU CB C 13 32.109 0.300 . 1 . . . . 34 GLU CB . 11299 1 338 . 1 1 34 34 GLU CG C 13 36.774 0.300 . 1 . . . . 34 GLU CG . 11299 1 339 . 1 1 34 34 GLU N N 15 119.095 0.300 . 1 . . . . 34 GLU N . 11299 1 340 . 1 1 35 35 VAL H H 1 9.694 0.030 . 1 . . . . 35 VAL H . 11299 1 341 . 1 1 35 35 VAL HA H 1 4.863 0.030 . 1 . . . . 35 VAL HA . 11299 1 342 . 1 1 35 35 VAL HB H 1 2.605 0.030 . 1 . . . . 35 VAL HB . 11299 1 343 . 1 1 35 35 VAL HG11 H 1 1.230 0.030 . 1 . . . . 35 VAL HG1 . 11299 1 344 . 1 1 35 35 VAL HG12 H 1 1.230 0.030 . 1 . . . . 35 VAL HG1 . 11299 1 345 . 1 1 35 35 VAL HG13 H 1 1.230 0.030 . 1 . . . . 35 VAL HG1 . 11299 1 346 . 1 1 35 35 VAL HG21 H 1 1.253 0.030 . 1 . . . . 35 VAL HG2 . 11299 1 347 . 1 1 35 35 VAL HG22 H 1 1.253 0.030 . 1 . . . . 35 VAL HG2 . 11299 1 348 . 1 1 35 35 VAL HG23 H 1 1.253 0.030 . 1 . . . . 35 VAL HG2 . 11299 1 349 . 1 1 35 35 VAL C C 13 175.128 0.300 . 1 . . . . 35 VAL C . 11299 1 350 . 1 1 35 35 VAL CA C 13 63.289 0.300 . 1 . . . . 35 VAL CA . 11299 1 351 . 1 1 35 35 VAL CB C 13 32.675 0.300 . 1 . . . . 35 VAL CB . 11299 1 352 . 1 1 35 35 VAL CG1 C 13 22.948 0.300 . 2 . . . . 35 VAL CG1 . 11299 1 353 . 1 1 35 35 VAL CG2 C 13 21.444 0.300 . 2 . . . . 35 VAL CG2 . 11299 1 354 . 1 1 35 35 VAL N N 15 124.676 0.300 . 1 . . . . 35 VAL N . 11299 1 355 . 1 1 36 36 ILE H H 1 9.700 0.030 . 1 . . . . 36 ILE H . 11299 1 356 . 1 1 36 36 ILE HA H 1 4.822 0.030 . 1 . . . . 36 ILE HA . 11299 1 357 . 1 1 36 36 ILE HB H 1 2.333 0.030 . 1 . . . . 36 ILE HB . 11299 1 358 . 1 1 36 36 ILE HD11 H 1 1.393 0.030 . 1 . . . . 36 ILE HD1 . 11299 1 359 . 1 1 36 36 ILE HD12 H 1 1.393 0.030 . 1 . . . . 36 ILE HD1 . 11299 1 360 . 1 1 36 36 ILE HD13 H 1 1.393 0.030 . 1 . . . . 36 ILE HD1 . 11299 1 361 . 1 1 36 36 ILE HG12 H 1 2.065 0.030 . 2 . . . . 36 ILE HG12 . 11299 1 362 . 1 1 36 36 ILE HG13 H 1 1.879 0.030 . 2 . . . . 36 ILE HG13 . 11299 1 363 . 1 1 36 36 ILE HG21 H 1 1.609 0.030 . 1 . . . . 36 ILE HG2 . 11299 1 364 . 1 1 36 36 ILE HG22 H 1 1.609 0.030 . 1 . . . . 36 ILE HG2 . 11299 1 365 . 1 1 36 36 ILE HG23 H 1 1.609 0.030 . 1 . . . . 36 ILE HG2 . 11299 1 366 . 1 1 36 36 ILE C C 13 176.143 0.300 . 1 . . . . 36 ILE C . 11299 1 367 . 1 1 36 36 ILE CA C 13 60.685 0.300 . 1 . . . . 36 ILE CA . 11299 1 368 . 1 1 36 36 ILE CB C 13 37.682 0.300 . 1 . . . . 36 ILE CB . 11299 1 369 . 1 1 36 36 ILE CD1 C 13 10.271 0.300 . 1 . . . . 36 ILE CD1 . 11299 1 370 . 1 1 36 36 ILE CG1 C 13 27.475 0.300 . 1 . . . . 36 ILE CG1 . 11299 1 371 . 1 1 36 36 ILE CG2 C 13 16.998 0.300 . 1 . . . . 36 ILE CG2 . 11299 1 372 . 1 1 36 36 ILE N N 15 129.105 0.300 . 1 . . . . 36 ILE N . 11299 1 373 . 1 1 37 37 LEU H H 1 8.419 0.030 . 1 . . . . 37 LEU H . 11299 1 374 . 1 1 37 37 LEU HA H 1 5.186 0.030 . 1 . . . . 37 LEU HA . 11299 1 375 . 1 1 37 37 LEU HB2 H 1 2.424 0.030 . 2 . . . . 37 LEU HB2 . 11299 1 376 . 1 1 37 37 LEU HB3 H 1 2.222 0.030 . 2 . . . . 37 LEU HB3 . 11299 1 377 . 1 1 37 37 LEU HD11 H 1 1.682 0.030 . 1 . . . . 37 LEU HD1 . 11299 1 378 . 1 1 37 37 LEU HD12 H 1 1.682 0.030 . 1 . . . . 37 LEU HD1 . 11299 1 379 . 1 1 37 37 LEU HD13 H 1 1.682 0.030 . 1 . . . . 37 LEU HD1 . 11299 1 380 . 1 1 37 37 LEU HD21 H 1 1.684 0.030 . 1 . . . . 37 LEU HD2 . 11299 1 381 . 1 1 37 37 LEU HD22 H 1 1.684 0.030 . 1 . . . . 37 LEU HD2 . 11299 1 382 . 1 1 37 37 LEU HD23 H 1 1.684 0.030 . 1 . . . . 37 LEU HD2 . 11299 1 383 . 1 1 37 37 LEU HG H 1 2.165 0.030 . 1 . . . . 37 LEU HG . 11299 1 384 . 1 1 37 37 LEU C C 13 174.900 0.300 . 1 . . . . 37 LEU C . 11299 1 385 . 1 1 37 37 LEU CA C 13 54.869 0.300 . 1 . . . . 37 LEU CA . 11299 1 386 . 1 1 37 37 LEU CB C 13 46.328 0.300 . 1 . . . . 37 LEU CB . 11299 1 387 . 1 1 37 37 LEU CD1 C 13 25.156 0.300 . 2 . . . . 37 LEU CD1 . 11299 1 388 . 1 1 37 37 LEU CD2 C 13 23.883 0.300 . 2 . . . . 37 LEU CD2 . 11299 1 389 . 1 1 37 37 LEU CG C 13 27.344 0.300 . 1 . . . . 37 LEU CG . 11299 1 390 . 1 1 37 37 LEU N N 15 119.370 0.300 . 1 . . . . 37 LEU N . 11299 1 391 . 1 1 38 38 GLU H H 1 9.245 0.030 . 1 . . . . 38 GLU H . 11299 1 392 . 1 1 38 38 GLU HA H 1 3.678 0.030 . 1 . . . . 38 GLU HA . 11299 1 393 . 1 1 38 38 GLU HB2 H 1 2.087 0.030 . 2 . . . . 38 GLU HB2 . 11299 1 394 . 1 1 38 38 GLU HB3 H 1 1.813 0.030 . 2 . . . . 38 GLU HB3 . 11299 1 395 . 1 1 38 38 GLU HG2 H 1 1.867 0.030 . 2 . . . . 38 GLU HG2 . 11299 1 396 . 1 1 38 38 GLU HG3 H 1 0.757 0.030 . 2 . . . . 38 GLU HG3 . 11299 1 397 . 1 1 38 38 GLU C C 13 175.642 0.300 . 1 . . . . 38 GLU C . 11299 1 398 . 1 1 38 38 GLU CA C 13 54.175 0.300 . 1 . . . . 38 GLU CA . 11299 1 399 . 1 1 38 38 GLU CB C 13 28.297 0.300 . 1 . . . . 38 GLU CB . 11299 1 400 . 1 1 38 38 GLU CG C 13 34.319 0.300 . 1 . . . . 38 GLU CG . 11299 1 401 . 1 1 38 38 GLU N N 15 126.754 0.300 . 1 . . . . 38 GLU N . 11299 1 402 . 1 1 39 39 GLY H H 1 7.690 0.030 . 1 . . . . 39 GLY H . 11299 1 403 . 1 1 39 39 GLY HA2 H 1 4.979 0.030 . 2 . . . . 39 GLY HA2 . 11299 1 404 . 1 1 39 39 GLY HA3 H 1 4.940 0.030 . 2 . . . . 39 GLY HA3 . 11299 1 405 . 1 1 39 39 GLY C C 13 175.477 0.300 . 1 . . . . 39 GLY C . 11299 1 406 . 1 1 39 39 GLY CA C 13 45.901 0.300 . 1 . . . . 39 GLY CA . 11299 1 407 . 1 1 39 39 GLY N N 15 111.972 0.300 . 1 . . . . 39 GLY N . 11299 1 408 . 1 1 40 40 GLU H H 1 9.821 0.030 . 1 . . . . 40 GLU H . 11299 1 409 . 1 1 40 40 GLU HA H 1 5.000 0.030 . 1 . . . . 40 GLU HA . 11299 1 410 . 1 1 40 40 GLU HB2 H 1 2.929 0.030 . 2 . . . . 40 GLU HB2 . 11299 1 411 . 1 1 40 40 GLU HB3 H 1 2.820 0.030 . 2 . . . . 40 GLU HB3 . 11299 1 412 . 1 1 40 40 GLU HG2 H 1 3.144 0.030 . 1 . . . . 40 GLU HG2 . 11299 1 413 . 1 1 40 40 GLU HG3 H 1 3.144 0.030 . 1 . . . . 40 GLU HG3 . 11299 1 414 . 1 1 40 40 GLU C C 13 176.784 0.300 . 1 . . . . 40 GLU C . 11299 1 415 . 1 1 40 40 GLU CA C 13 58.385 0.300 . 1 . . . . 40 GLU CA . 11299 1 416 . 1 1 40 40 GLU CB C 13 29.886 0.300 . 1 . . . . 40 GLU CB . 11299 1 417 . 1 1 40 40 GLU CG C 13 36.490 0.300 . 1 . . . . 40 GLU CG . 11299 1 418 . 1 1 40 40 GLU N N 15 123.986 0.300 . 1 . . . . 40 GLU N . 11299 1 419 . 1 1 41 41 ASP H H 1 9.221 0.030 . 1 . . . . 41 ASP H . 11299 1 420 . 1 1 41 41 ASP HA H 1 5.388 0.030 . 1 . . . . 41 ASP HA . 11299 1 421 . 1 1 41 41 ASP HB2 H 1 3.842 0.030 . 2 . . . . 41 ASP HB2 . 11299 1 422 . 1 1 41 41 ASP HB3 H 1 3.552 0.030 . 2 . . . . 41 ASP HB3 . 11299 1 423 . 1 1 41 41 ASP C C 13 176.591 0.300 . 1 . . . . 41 ASP C . 11299 1 424 . 1 1 41 41 ASP CA C 13 53.403 0.300 . 1 . . . . 41 ASP CA . 11299 1 425 . 1 1 41 41 ASP CB C 13 40.358 0.300 . 1 . . . . 41 ASP CB . 11299 1 426 . 1 1 41 41 ASP N N 15 117.544 0.300 . 1 . . . . 41 ASP N . 11299 1 427 . 1 1 42 42 GLY H H 1 8.829 0.030 . 1 . . . . 42 GLY H . 11299 1 428 . 1 1 42 42 GLY HA2 H 1 4.957 0.030 . 2 . . . . 42 GLY HA2 . 11299 1 429 . 1 1 42 42 GLY HA3 H 1 4.484 0.030 . 2 . . . . 42 GLY HA3 . 11299 1 430 . 1 1 42 42 GLY C C 13 174.172 0.300 . 1 . . . . 42 GLY C . 11299 1 431 . 1 1 42 42 GLY CA C 13 45.110 0.300 . 1 . . . . 42 GLY CA . 11299 1 432 . 1 1 42 42 GLY N N 15 106.131 0.300 . 1 . . . . 42 GLY N . 11299 1 433 . 1 1 43 43 TRP H H 1 8.827 0.030 . 1 . . . . 43 TRP H . 11299 1 434 . 1 1 43 43 TRP HA H 1 5.612 0.030 . 1 . . . . 43 TRP HA . 11299 1 435 . 1 1 43 43 TRP HB2 H 1 3.965 0.030 . 2 . . . . 43 TRP HB2 . 11299 1 436 . 1 1 43 43 TRP HB3 H 1 3.497 0.030 . 2 . . . . 43 TRP HB3 . 11299 1 437 . 1 1 43 43 TRP HD1 H 1 7.705 0.030 . 1 . . . . 43 TRP HD1 . 11299 1 438 . 1 1 43 43 TRP HE1 H 1 10.714 0.030 . 1 . . . . 43 TRP HE1 . 11299 1 439 . 1 1 43 43 TRP HE3 H 1 7.837 0.030 . 1 . . . . 43 TRP HE3 . 11299 1 440 . 1 1 43 43 TRP HH2 H 1 8.075 0.030 . 1 . . . . 43 TRP HH2 . 11299 1 441 . 1 1 43 43 TRP HZ2 H 1 8.167 0.030 . 1 . . . . 43 TRP HZ2 . 11299 1 442 . 1 1 43 43 TRP HZ3 H 1 7.354 0.030 . 1 . . . . 43 TRP HZ3 . 11299 1 443 . 1 1 43 43 TRP C C 13 175.774 0.300 . 1 . . . . 43 TRP C . 11299 1 444 . 1 1 43 43 TRP CA C 13 56.917 0.300 . 1 . . . . 43 TRP CA . 11299 1 445 . 1 1 43 43 TRP CB C 13 28.889 0.300 . 1 . . . . 43 TRP CB . 11299 1 446 . 1 1 43 43 TRP CD1 C 13 127.201 0.300 . 1 . . . . 43 TRP CD1 . 11299 1 447 . 1 1 43 43 TRP CE3 C 13 118.985 0.300 . 1 . . . . 43 TRP CE3 . 11299 1 448 . 1 1 43 43 TRP CH2 C 13 125.805 0.300 . 1 . . . . 43 TRP CH2 . 11299 1 449 . 1 1 43 43 TRP CZ2 C 13 114.687 0.300 . 1 . . . . 43 TRP CZ2 . 11299 1 450 . 1 1 43 43 TRP CZ3 C 13 120.741 0.300 . 1 . . . . 43 TRP CZ3 . 11299 1 451 . 1 1 43 43 TRP N N 15 122.790 0.300 . 1 . . . . 43 TRP N . 11299 1 452 . 1 1 43 43 TRP NE1 N 15 128.774 0.300 . 1 . . . . 43 TRP NE1 . 11299 1 453 . 1 1 44 44 TRP H H 1 10.548 0.030 . 1 . . . . 44 TRP H . 11299 1 454 . 1 1 44 44 TRP HA H 1 6.197 0.030 . 1 . . . . 44 TRP HA . 11299 1 455 . 1 1 44 44 TRP HB2 H 1 3.865 0.030 . 2 . . . . 44 TRP HB2 . 11299 1 456 . 1 1 44 44 TRP HB3 H 1 3.662 0.030 . 2 . . . . 44 TRP HB3 . 11299 1 457 . 1 1 44 44 TRP HD1 H 1 7.635 0.030 . 1 . . . . 44 TRP HD1 . 11299 1 458 . 1 1 44 44 TRP HE1 H 1 11.080 0.030 . 1 . . . . 44 TRP HE1 . 11299 1 459 . 1 1 44 44 TRP HE3 H 1 7.636 0.030 . 1 . . . . 44 TRP HE3 . 11299 1 460 . 1 1 44 44 TRP HH2 H 1 7.880 0.030 . 1 . . . . 44 TRP HH2 . 11299 1 461 . 1 1 44 44 TRP HZ2 H 1 8.119 0.030 . 1 . . . . 44 TRP HZ2 . 11299 1 462 . 1 1 44 44 TRP HZ3 H 1 6.917 0.030 . 1 . . . . 44 TRP HZ3 . 11299 1 463 . 1 1 44 44 TRP C C 13 175.412 0.300 . 1 . . . . 44 TRP C . 11299 1 464 . 1 1 44 44 TRP CA C 13 55.190 0.300 . 1 . . . . 44 TRP CA . 11299 1 465 . 1 1 44 44 TRP CB C 13 30.550 0.300 . 1 . . . . 44 TRP CB . 11299 1 466 . 1 1 44 44 TRP CD1 C 13 121.958 0.300 . 1 . . . . 44 TRP CD1 . 11299 1 467 . 1 1 44 44 TRP CE3 C 13 121.023 0.300 . 1 . . . . 44 TRP CE3 . 11299 1 468 . 1 1 44 44 TRP CH2 C 13 125.828 0.300 . 1 . . . . 44 TRP CH2 . 11299 1 469 . 1 1 44 44 TRP CZ2 C 13 114.355 0.300 . 1 . . . . 44 TRP CZ2 . 11299 1 470 . 1 1 44 44 TRP CZ3 C 13 121.934 0.300 . 1 . . . . 44 TRP CZ3 . 11299 1 471 . 1 1 44 44 TRP N N 15 128.088 0.300 . 1 . . . . 44 TRP N . 11299 1 472 . 1 1 44 44 TRP NE1 N 15 127.665 0.300 . 1 . . . . 44 TRP NE1 . 11299 1 473 . 1 1 45 45 THR H H 1 10.025 0.030 . 1 . . . . 45 THR H . 11299 1 474 . 1 1 45 45 THR HA H 1 5.514 0.030 . 1 . . . . 45 THR HA . 11299 1 475 . 1 1 45 45 THR HB H 1 4.810 0.030 . 1 . . . . 45 THR HB . 11299 1 476 . 1 1 45 45 THR HG21 H 1 1.772 0.030 . 1 . . . . 45 THR HG2 . 11299 1 477 . 1 1 45 45 THR HG22 H 1 1.772 0.030 . 1 . . . . 45 THR HG2 . 11299 1 478 . 1 1 45 45 THR HG23 H 1 1.772 0.030 . 1 . . . . 45 THR HG2 . 11299 1 479 . 1 1 45 45 THR C C 13 174.533 0.300 . 1 . . . . 45 THR C . 11299 1 480 . 1 1 45 45 THR CA C 13 63.140 0.300 . 1 . . . . 45 THR CA . 11299 1 481 . 1 1 45 45 THR CB C 13 68.554 0.300 . 1 . . . . 45 THR CB . 11299 1 482 . 1 1 45 45 THR CG2 C 13 20.749 0.300 . 1 . . . . 45 THR CG2 . 11299 1 483 . 1 1 45 45 THR N N 15 119.834 0.300 . 1 . . . . 45 THR N . 11299 1 484 . 1 1 46 46 VAL H H 1 10.019 0.030 . 1 . . . . 46 VAL H . 11299 1 485 . 1 1 46 46 VAL HA H 1 6.152 0.030 . 1 . . . . 46 VAL HA . 11299 1 486 . 1 1 46 46 VAL HB H 1 2.976 0.030 . 1 . . . . 46 VAL HB . 11299 1 487 . 1 1 46 46 VAL HG11 H 1 1.717 0.030 . 1 . . . . 46 VAL HG1 . 11299 1 488 . 1 1 46 46 VAL HG12 H 1 1.717 0.030 . 1 . . . . 46 VAL HG1 . 11299 1 489 . 1 1 46 46 VAL HG13 H 1 1.717 0.030 . 1 . . . . 46 VAL HG1 . 11299 1 490 . 1 1 46 46 VAL HG21 H 1 1.635 0.030 . 1 . . . . 46 VAL HG2 . 11299 1 491 . 1 1 46 46 VAL HG22 H 1 1.635 0.030 . 1 . . . . 46 VAL HG2 . 11299 1 492 . 1 1 46 46 VAL HG23 H 1 1.635 0.030 . 1 . . . . 46 VAL HG2 . 11299 1 493 . 1 1 46 46 VAL C C 13 173.022 0.300 . 1 . . . . 46 VAL C . 11299 1 494 . 1 1 46 46 VAL CA C 13 58.608 0.300 . 1 . . . . 46 VAL CA . 11299 1 495 . 1 1 46 46 VAL CB C 13 36.299 0.300 . 1 . . . . 46 VAL CB . 11299 1 496 . 1 1 46 46 VAL CG1 C 13 22.492 0.300 . 2 . . . . 46 VAL CG1 . 11299 1 497 . 1 1 46 46 VAL CG2 C 13 19.709 0.300 . 2 . . . . 46 VAL CG2 . 11299 1 498 . 1 1 46 46 VAL N N 15 121.982 0.300 . 1 . . . . 46 VAL N . 11299 1 499 . 1 1 47 47 GLU H H 1 9.771 0.030 . 1 . . . . 47 GLU H . 11299 1 500 . 1 1 47 47 GLU HA H 1 6.199 0.030 . 1 . . . . 47 GLU HA . 11299 1 501 . 1 1 47 47 GLU HB2 H 1 2.619 0.030 . 2 . . . . 47 GLU HB2 . 11299 1 502 . 1 1 47 47 GLU HB3 H 1 2.540 0.030 . 2 . . . . 47 GLU HB3 . 11299 1 503 . 1 1 47 47 GLU HG2 H 1 2.764 0.030 . 1 . . . . 47 GLU HG2 . 11299 1 504 . 1 1 47 47 GLU HG3 H 1 2.764 0.030 . 1 . . . . 47 GLU HG3 . 11299 1 505 . 1 1 47 47 GLU C C 13 175.418 0.300 . 1 . . . . 47 GLU C . 11299 1 506 . 1 1 47 47 GLU CA C 13 54.567 0.300 . 1 . . . . 47 GLU CA . 11299 1 507 . 1 1 47 47 GLU CB C 13 34.288 0.300 . 1 . . . . 47 GLU CB . 11299 1 508 . 1 1 47 47 GLU CG C 13 37.163 0.300 . 1 . . . . 47 GLU CG . 11299 1 509 . 1 1 47 47 GLU N N 15 118.093 0.300 . 1 . . . . 47 GLU N . 11299 1 510 . 1 1 48 48 ARG H H 1 9.602 0.030 . 1 . . . . 48 ARG H . 11299 1 511 . 1 1 48 48 ARG HA H 1 5.505 0.030 . 1 . . . . 48 ARG HA . 11299 1 512 . 1 1 48 48 ARG HB2 H 1 2.636 0.030 . 2 . . . . 48 ARG HB2 . 11299 1 513 . 1 1 48 48 ARG HB3 H 1 2.316 0.030 . 2 . . . . 48 ARG HB3 . 11299 1 514 . 1 1 48 48 ARG HD2 H 1 4.032 0.030 . 2 . . . . 48 ARG HD2 . 11299 1 515 . 1 1 48 48 ARG HD3 H 1 3.887 0.030 . 2 . . . . 48 ARG HD3 . 11299 1 516 . 1 1 48 48 ARG HE H 1 8.099 0.030 . 1 . . . . 48 ARG HE . 11299 1 517 . 1 1 48 48 ARG HG2 H 1 2.191 0.030 . 2 . . . . 48 ARG HG2 . 11299 1 518 . 1 1 48 48 ARG HG3 H 1 2.613 0.030 . 2 . . . . 48 ARG HG3 . 11299 1 519 . 1 1 48 48 ARG C C 13 175.986 0.300 . 1 . . . . 48 ARG C . 11299 1 520 . 1 1 48 48 ARG CA C 13 55.155 0.300 . 1 . . . . 48 ARG CA . 11299 1 521 . 1 1 48 48 ARG CB C 13 32.934 0.300 . 1 . . . . 48 ARG CB . 11299 1 522 . 1 1 48 48 ARG CD C 13 43.704 0.300 . 1 . . . . 48 ARG CD . 11299 1 523 . 1 1 48 48 ARG CG C 13 27.428 0.300 . 1 . . . . 48 ARG CG . 11299 1 524 . 1 1 48 48 ARG N N 15 124.792 0.300 . 1 . . . . 48 ARG N . 11299 1 525 . 1 1 48 48 ARG NE N 15 85.077 0.300 . 1 . . . . 48 ARG NE . 11299 1 526 . 1 1 49 49 ASN H H 1 10.717 0.030 . 1 . . . . 49 ASN H . 11299 1 527 . 1 1 49 49 ASN HA H 1 5.245 0.030 . 1 . . . . 49 ASN HA . 11299 1 528 . 1 1 49 49 ASN HB2 H 1 3.926 0.030 . 2 . . . . 49 ASN HB2 . 11299 1 529 . 1 1 49 49 ASN HB3 H 1 3.576 0.030 . 2 . . . . 49 ASN HB3 . 11299 1 530 . 1 1 49 49 ASN HD21 H 1 8.418 0.030 . 2 . . . . 49 ASN HD21 . 11299 1 531 . 1 1 49 49 ASN HD22 H 1 7.703 0.030 . 2 . . . . 49 ASN HD22 . 11299 1 532 . 1 1 49 49 ASN C C 13 175.369 0.300 . 1 . . . . 49 ASN C . 11299 1 533 . 1 1 49 49 ASN CA C 13 54.344 0.300 . 1 . . . . 49 ASN CA . 11299 1 534 . 1 1 49 49 ASN CB C 13 37.610 0.300 . 1 . . . . 49 ASN CB . 11299 1 535 . 1 1 49 49 ASN N N 15 128.876 0.300 . 1 . . . . 49 ASN N . 11299 1 536 . 1 1 49 49 ASN ND2 N 15 111.982 0.300 . 1 . . . . 49 ASN ND2 . 11299 1 537 . 1 1 50 50 GLY H H 1 9.634 0.030 . 1 . . . . 50 GLY H . 11299 1 538 . 1 1 50 50 GLY HA2 H 1 4.945 0.030 . 2 . . . . 50 GLY HA2 . 11299 1 539 . 1 1 50 50 GLY HA3 H 1 4.408 0.030 . 2 . . . . 50 GLY HA3 . 11299 1 540 . 1 1 50 50 GLY C C 13 173.562 0.300 . 1 . . . . 50 GLY C . 11299 1 541 . 1 1 50 50 GLY CA C 13 45.549 0.300 . 1 . . . . 50 GLY CA . 11299 1 542 . 1 1 50 50 GLY N N 15 104.164 0.300 . 1 . . . . 50 GLY N . 11299 1 543 . 1 1 51 51 GLN H H 1 8.628 0.030 . 1 . . . . 51 GLN H . 11299 1 544 . 1 1 51 51 GLN HA H 1 5.359 0.030 . 1 . . . . 51 GLN HA . 11299 1 545 . 1 1 51 51 GLN HB2 H 1 2.920 0.030 . 2 . . . . 51 GLN HB2 . 11299 1 546 . 1 1 51 51 GLN HB3 H 1 2.842 0.030 . 2 . . . . 51 GLN HB3 . 11299 1 547 . 1 1 51 51 GLN HE21 H 1 8.378 0.030 . 2 . . . . 51 GLN HE21 . 11299 1 548 . 1 1 51 51 GLN HE22 H 1 7.709 0.030 . 2 . . . . 51 GLN HE22 . 11299 1 549 . 1 1 51 51 GLN HG2 H 1 3.183 0.030 . 2 . . . . 51 GLN HG2 . 11299 1 550 . 1 1 51 51 GLN HG3 H 1 3.094 0.030 . 2 . . . . 51 GLN HG3 . 11299 1 551 . 1 1 51 51 GLN C C 13 173.812 0.300 . 1 . . . . 51 GLN C . 11299 1 552 . 1 1 51 51 GLN CA C 13 54.608 0.300 . 1 . . . . 51 GLN CA . 11299 1 553 . 1 1 51 51 GLN CB C 13 30.749 0.300 . 1 . . . . 51 GLN CB . 11299 1 554 . 1 1 51 51 GLN CG C 13 33.824 0.300 . 1 . . . . 51 GLN CG . 11299 1 555 . 1 1 51 51 GLN N N 15 120.820 0.300 . 1 . . . . 51 GLN N . 11299 1 556 . 1 1 51 51 GLN NE2 N 15 112.475 0.300 . 1 . . . . 51 GLN NE2 . 11299 1 557 . 1 1 52 52 ARG H H 1 9.346 0.030 . 1 . . . . 52 ARG H . 11299 1 558 . 1 1 52 52 ARG HA H 1 6.498 0.030 . 1 . . . . 52 ARG HA . 11299 1 559 . 1 1 52 52 ARG HB2 H 1 2.492 0.030 . 2 . . . . 52 ARG HB2 . 11299 1 560 . 1 1 52 52 ARG HB3 H 1 2.413 0.030 . 2 . . . . 52 ARG HB3 . 11299 1 561 . 1 1 52 52 ARG HD2 H 1 3.794 0.030 . 2 . . . . 52 ARG HD2 . 11299 1 562 . 1 1 52 52 ARG HD3 H 1 3.740 0.030 . 2 . . . . 52 ARG HD3 . 11299 1 563 . 1 1 52 52 ARG HE H 1 8.415 0.030 . 1 . . . . 52 ARG HE . 11299 1 564 . 1 1 52 52 ARG HG2 H 1 2.306 0.030 . 2 . . . . 52 ARG HG2 . 11299 1 565 . 1 1 52 52 ARG HG3 H 1 2.245 0.030 . 2 . . . . 52 ARG HG3 . 11299 1 566 . 1 1 52 52 ARG C C 13 176.329 0.300 . 1 . . . . 52 ARG C . 11299 1 567 . 1 1 52 52 ARG CA C 13 54.048 0.300 . 1 . . . . 52 ARG CA . 11299 1 568 . 1 1 52 52 ARG CB C 13 33.968 0.300 . 1 . . . . 52 ARG CB . 11299 1 569 . 1 1 52 52 ARG CD C 13 43.741 0.300 . 1 . . . . 52 ARG CD . 11299 1 570 . 1 1 52 52 ARG CG C 13 27.379 0.300 . 1 . . . . 52 ARG CG . 11299 1 571 . 1 1 52 52 ARG N N 15 123.350 0.300 . 1 . . . . 52 ARG N . 11299 1 572 . 1 1 52 52 ARG NE N 15 84.377 0.300 . 1 . . . . 52 ARG NE . 11299 1 573 . 1 1 53 53 GLY H H 1 9.284 0.030 . 1 . . . . 53 GLY H . 11299 1 574 . 1 1 53 53 GLY HA2 H 1 4.791 0.030 . 2 . . . . 53 GLY HA2 . 11299 1 575 . 1 1 53 53 GLY HA3 H 1 4.502 0.030 . 2 . . . . 53 GLY HA3 . 11299 1 576 . 1 1 53 53 GLY C C 13 170.737 0.300 . 1 . . . . 53 GLY C . 11299 1 577 . 1 1 53 53 GLY CA C 13 45.459 0.300 . 1 . . . . 53 GLY CA . 11299 1 578 . 1 1 53 53 GLY N N 15 109.776 0.300 . 1 . . . . 53 GLY N . 11299 1 579 . 1 1 54 54 PHE H H 1 9.489 0.030 . 1 . . . . 54 PHE H . 11299 1 580 . 1 1 54 54 PHE HA H 1 6.868 0.030 . 1 . . . . 54 PHE HA . 11299 1 581 . 1 1 54 54 PHE HB2 H 1 4.055 0.030 . 2 . . . . 54 PHE HB2 . 11299 1 582 . 1 1 54 54 PHE HB3 H 1 3.522 0.030 . 2 . . . . 54 PHE HB3 . 11299 1 583 . 1 1 54 54 PHE HD1 H 1 7.843 0.030 . 1 . . . . 54 PHE HD1 . 11299 1 584 . 1 1 54 54 PHE HD2 H 1 7.843 0.030 . 1 . . . . 54 PHE HD2 . 11299 1 585 . 1 1 54 54 PHE HE1 H 1 8.123 0.030 . 1 . . . . 54 PHE HE1 . 11299 1 586 . 1 1 54 54 PHE HE2 H 1 8.123 0.030 . 1 . . . . 54 PHE HE2 . 11299 1 587 . 1 1 54 54 PHE HZ H 1 8.028 0.030 . 1 . . . . 54 PHE HZ . 11299 1 588 . 1 1 54 54 PHE C C 13 177.151 0.300 . 1 . . . . 54 PHE C . 11299 1 589 . 1 1 54 54 PHE CA C 13 56.627 0.300 . 1 . . . . 54 PHE CA . 11299 1 590 . 1 1 54 54 PHE CB C 13 42.290 0.300 . 1 . . . . 54 PHE CB . 11299 1 591 . 1 1 54 54 PHE CD1 C 13 131.587 0.300 . 1 . . . . 54 PHE CD1 . 11299 1 592 . 1 1 54 54 PHE CD2 C 13 131.587 0.300 . 1 . . . . 54 PHE CD2 . 11299 1 593 . 1 1 54 54 PHE CE1 C 13 131.663 0.300 . 1 . . . . 54 PHE CE1 . 11299 1 594 . 1 1 54 54 PHE CE2 C 13 131.663 0.300 . 1 . . . . 54 PHE CE2 . 11299 1 595 . 1 1 54 54 PHE CZ C 13 129.786 0.300 . 1 . . . . 54 PHE CZ . 11299 1 596 . 1 1 54 54 PHE N N 15 118.054 0.300 . 1 . . . . 54 PHE N . 11299 1 597 . 1 1 55 55 VAL H H 1 9.949 0.030 . 1 . . . . 55 VAL H . 11299 1 598 . 1 1 55 55 VAL HA H 1 5.553 0.030 . 1 . . . . 55 VAL HA . 11299 1 599 . 1 1 55 55 VAL HB H 1 2.545 0.030 . 1 . . . . 55 VAL HB . 11299 1 600 . 1 1 55 55 VAL HG11 H 1 1.817 0.030 . 1 . . . . 55 VAL HG1 . 11299 1 601 . 1 1 55 55 VAL HG12 H 1 1.817 0.030 . 1 . . . . 55 VAL HG1 . 11299 1 602 . 1 1 55 55 VAL HG13 H 1 1.817 0.030 . 1 . . . . 55 VAL HG1 . 11299 1 603 . 1 1 55 55 VAL HG21 H 1 1.417 0.030 . 1 . . . . 55 VAL HG2 . 11299 1 604 . 1 1 55 55 VAL HG22 H 1 1.417 0.030 . 1 . . . . 55 VAL HG2 . 11299 1 605 . 1 1 55 55 VAL HG23 H 1 1.417 0.030 . 1 . . . . 55 VAL HG2 . 11299 1 606 . 1 1 55 55 VAL C C 13 172.005 0.300 . 1 . . . . 55 VAL C . 11299 1 607 . 1 1 55 55 VAL CA C 13 58.328 0.300 . 1 . . . . 55 VAL CA . 11299 1 608 . 1 1 55 55 VAL CB C 13 33.968 0.300 . 1 . . . . 55 VAL CB . 11299 1 609 . 1 1 55 55 VAL CG1 C 13 23.443 0.300 . 2 . . . . 55 VAL CG1 . 11299 1 610 . 1 1 55 55 VAL CG2 C 13 19.641 0.300 . 2 . . . . 55 VAL CG2 . 11299 1 611 . 1 1 55 55 VAL N N 15 111.301 0.300 . 1 . . . . 55 VAL N . 11299 1 612 . 1 1 56 56 PRO HA H 1 4.498 0.030 . 1 . . . . 56 PRO HA . 11299 1 613 . 1 1 56 56 PRO HB2 H 1 2.050 0.030 . 2 . . . . 56 PRO HB2 . 11299 1 614 . 1 1 56 56 PRO HB3 H 1 1.972 0.030 . 2 . . . . 56 PRO HB3 . 11299 1 615 . 1 1 56 56 PRO HD2 H 1 3.206 0.030 . 2 . . . . 56 PRO HD2 . 11299 1 616 . 1 1 56 56 PRO HD3 H 1 2.834 0.030 . 2 . . . . 56 PRO HD3 . 11299 1 617 . 1 1 56 56 PRO HG2 H 1 1.300 0.030 . 2 . . . . 56 PRO HG2 . 11299 1 618 . 1 1 56 56 PRO HG3 H 1 1.251 0.030 . 2 . . . . 56 PRO HG3 . 11299 1 619 . 1 1 56 56 PRO C C 13 178.403 0.300 . 1 . . . . 56 PRO C . 11299 1 620 . 1 1 56 56 PRO CA C 13 61.531 0.300 . 1 . . . . 56 PRO CA . 11299 1 621 . 1 1 56 56 PRO CB C 13 30.151 0.300 . 1 . . . . 56 PRO CB . 11299 1 622 . 1 1 56 56 PRO CD C 13 49.791 0.300 . 1 . . . . 56 PRO CD . 11299 1 623 . 1 1 56 56 PRO CG C 13 27.403 0.300 . 1 . . . . 56 PRO CG . 11299 1 624 . 1 1 57 57 GLY H H 1 8.870 0.030 . 1 . . . . 57 GLY H . 11299 1 625 . 1 1 57 57 GLY HA2 H 1 2.833 0.030 . 2 . . . . 57 GLY HA2 . 11299 1 626 . 1 1 57 57 GLY HA3 H 1 2.323 0.030 . 2 . . . . 57 GLY HA3 . 11299 1 627 . 1 1 57 57 GLY C C 13 175.238 0.300 . 1 . . . . 57 GLY C . 11299 1 628 . 1 1 57 57 GLY CA C 13 45.635 0.300 . 1 . . . . 57 GLY CA . 11299 1 629 . 1 1 57 57 GLY N N 15 114.582 0.300 . 1 . . . . 57 GLY N . 11299 1 630 . 1 1 58 58 SER H H 1 8.656 0.030 . 1 . . . . 58 SER H . 11299 1 631 . 1 1 58 58 SER HA H 1 4.827 0.030 . 1 . . . . 58 SER HA . 11299 1 632 . 1 1 58 58 SER HB2 H 1 4.760 0.030 . 2 . . . . 58 SER HB2 . 11299 1 633 . 1 1 58 58 SER HB3 H 1 4.504 0.030 . 2 . . . . 58 SER HB3 . 11299 1 634 . 1 1 58 58 SER C C 13 175.262 0.300 . 1 . . . . 58 SER C . 11299 1 635 . 1 1 58 58 SER CA C 13 59.491 0.300 . 1 . . . . 58 SER CA . 11299 1 636 . 1 1 58 58 SER CB C 13 62.817 0.300 . 1 . . . . 58 SER CB . 11299 1 637 . 1 1 58 58 SER N N 15 112.330 0.300 . 1 . . . . 58 SER N . 11299 1 638 . 1 1 59 59 TYR H H 1 8.424 0.030 . 1 . . . . 59 TYR H . 11299 1 639 . 1 1 59 59 TYR HA H 1 5.241 0.030 . 1 . . . . 59 TYR HA . 11299 1 640 . 1 1 59 59 TYR HB2 H 1 3.908 0.030 . 2 . . . . 59 TYR HB2 . 11299 1 641 . 1 1 59 59 TYR HB3 H 1 3.817 0.030 . 2 . . . . 59 TYR HB3 . 11299 1 642 . 1 1 59 59 TYR HD1 H 1 7.906 0.030 . 1 . . . . 59 TYR HD1 . 11299 1 643 . 1 1 59 59 TYR HD2 H 1 7.906 0.030 . 1 . . . . 59 TYR HD2 . 11299 1 644 . 1 1 59 59 TYR HE1 H 1 7.771 0.030 . 1 . . . . 59 TYR HE1 . 11299 1 645 . 1 1 59 59 TYR HE2 H 1 7.771 0.030 . 1 . . . . 59 TYR HE2 . 11299 1 646 . 1 1 59 59 TYR C C 13 173.907 0.300 . 1 . . . . 59 TYR C . 11299 1 647 . 1 1 59 59 TYR CA C 13 58.409 0.300 . 1 . . . . 59 TYR CA . 11299 1 648 . 1 1 59 59 TYR CB C 13 37.019 0.300 . 1 . . . . 59 TYR CB . 11299 1 649 . 1 1 59 59 TYR CD1 C 13 131.804 0.300 . 1 . . . . 59 TYR CD1 . 11299 1 650 . 1 1 59 59 TYR CD2 C 13 131.804 0.300 . 1 . . . . 59 TYR CD2 . 11299 1 651 . 1 1 59 59 TYR CE1 C 13 118.564 0.300 . 1 . . . . 59 TYR CE1 . 11299 1 652 . 1 1 59 59 TYR CE2 C 13 118.564 0.300 . 1 . . . . 59 TYR CE2 . 11299 1 653 . 1 1 59 59 TYR N N 15 122.414 0.300 . 1 . . . . 59 TYR N . 11299 1 654 . 1 1 60 60 LEU H H 1 8.141 0.030 . 1 . . . . 60 LEU H . 11299 1 655 . 1 1 60 60 LEU HA H 1 5.978 0.030 . 1 . . . . 60 LEU HA . 11299 1 656 . 1 1 60 60 LEU HB2 H 1 2.400 0.030 . 2 . . . . 60 LEU HB2 . 11299 1 657 . 1 1 60 60 LEU HB3 H 1 2.085 0.030 . 2 . . . . 60 LEU HB3 . 11299 1 658 . 1 1 60 60 LEU HD11 H 1 1.309 0.030 . 1 . . . . 60 LEU HD1 . 11299 1 659 . 1 1 60 60 LEU HD12 H 1 1.309 0.030 . 1 . . . . 60 LEU HD1 . 11299 1 660 . 1 1 60 60 LEU HD13 H 1 1.309 0.030 . 1 . . . . 60 LEU HD1 . 11299 1 661 . 1 1 60 60 LEU HD21 H 1 1.394 0.030 . 1 . . . . 60 LEU HD2 . 11299 1 662 . 1 1 60 60 LEU HD22 H 1 1.394 0.030 . 1 . . . . 60 LEU HD2 . 11299 1 663 . 1 1 60 60 LEU HD23 H 1 1.394 0.030 . 1 . . . . 60 LEU HD2 . 11299 1 664 . 1 1 60 60 LEU HG H 1 2.171 0.030 . 1 . . . . 60 LEU HG . 11299 1 665 . 1 1 60 60 LEU C C 13 175.943 0.300 . 1 . . . . 60 LEU C . 11299 1 666 . 1 1 60 60 LEU CA C 13 53.656 0.300 . 1 . . . . 60 LEU CA . 11299 1 667 . 1 1 60 60 LEU CB C 13 45.141 0.300 . 1 . . . . 60 LEU CB . 11299 1 668 . 1 1 60 60 LEU CD1 C 13 25.919 0.300 . 2 . . . . 60 LEU CD1 . 11299 1 669 . 1 1 60 60 LEU CD2 C 13 23.918 0.300 . 2 . . . . 60 LEU CD2 . 11299 1 670 . 1 1 60 60 LEU CG C 13 27.261 0.300 . 1 . . . . 60 LEU CG . 11299 1 671 . 1 1 60 60 LEU N N 15 119.256 0.300 . 1 . . . . 60 LEU N . 11299 1 672 . 1 1 61 61 GLU H H 1 9.850 0.030 . 1 . . . . 61 GLU H . 11299 1 673 . 1 1 61 61 GLU HA H 1 5.625 0.030 . 1 . . . . 61 GLU HA . 11299 1 674 . 1 1 61 61 GLU HB2 H 1 2.699 0.030 . 2 . . . . 61 GLU HB2 . 11299 1 675 . 1 1 61 61 GLU HB3 H 1 2.629 0.030 . 2 . . . . 61 GLU HB3 . 11299 1 676 . 1 1 61 61 GLU HG2 H 1 2.948 0.030 . 1 . . . . 61 GLU HG2 . 11299 1 677 . 1 1 61 61 GLU HG3 H 1 2.948 0.030 . 1 . . . . 61 GLU HG3 . 11299 1 678 . 1 1 61 61 GLU C C 13 174.520 0.300 . 1 . . . . 61 GLU C . 11299 1 679 . 1 1 61 61 GLU CA C 13 54.115 0.300 . 1 . . . . 61 GLU CA . 11299 1 680 . 1 1 61 61 GLU CB C 13 33.721 0.300 . 1 . . . . 61 GLU CB . 11299 1 681 . 1 1 61 61 GLU CG C 13 36.078 0.300 . 1 . . . . 61 GLU CG . 11299 1 682 . 1 1 61 61 GLU N N 15 120.063 0.300 . 1 . . . . 61 GLU N . 11299 1 683 . 1 1 62 62 LYS H H 1 9.684 0.030 . 1 . . . . 62 LYS H . 11299 1 684 . 1 1 62 62 LYS HA H 1 3.937 0.030 . 1 . . . . 62 LYS HA . 11299 1 685 . 1 1 62 62 LYS HB2 H 1 2.367 0.030 . 2 . . . . 62 LYS HB2 . 11299 1 686 . 1 1 62 62 LYS HB3 H 1 2.193 0.030 . 2 . . . . 62 LYS HB3 . 11299 1 687 . 1 1 62 62 LYS HD2 H 1 2.332 0.030 . 1 . . . . 62 LYS HD2 . 11299 1 688 . 1 1 62 62 LYS HD3 H 1 2.332 0.030 . 1 . . . . 62 LYS HD3 . 11299 1 689 . 1 1 62 62 LYS HE2 H 1 3.723 0.030 . 1 . . . . 62 LYS HE2 . 11299 1 690 . 1 1 62 62 LYS HE3 H 1 3.723 0.030 . 1 . . . . 62 LYS HE3 . 11299 1 691 . 1 1 62 62 LYS HG2 H 1 1.943 0.030 . 2 . . . . 62 LYS HG2 . 11299 1 692 . 1 1 62 62 LYS HG3 H 1 1.595 0.030 . 2 . . . . 62 LYS HG3 . 11299 1 693 . 1 1 62 62 LYS C C 13 176.781 0.300 . 1 . . . . 62 LYS C . 11299 1 694 . 1 1 62 62 LYS CA C 13 57.642 0.300 . 1 . . . . 62 LYS CA . 11299 1 695 . 1 1 62 62 LYS CB C 13 33.039 0.300 . 1 . . . . 62 LYS CB . 11299 1 696 . 1 1 62 62 LYS CD C 13 29.404 0.300 . 1 . . . . 62 LYS CD . 11299 1 697 . 1 1 62 62 LYS CE C 13 42.339 0.300 . 1 . . . . 62 LYS CE . 11299 1 698 . 1 1 62 62 LYS CG C 13 25.531 0.300 . 1 . . . . 62 LYS CG . 11299 1 699 . 1 1 62 62 LYS N N 15 128.474 0.300 . 1 . . . . 62 LYS N . 11299 1 700 . 1 1 63 63 LEU H H 1 8.785 0.030 . 1 . . . . 63 LEU H . 11299 1 701 . 1 1 63 63 LEU HA H 1 5.053 0.030 . 1 . . . . 63 LEU HA . 11299 1 702 . 1 1 63 63 LEU HB2 H 1 2.343 0.030 . 2 . . . . 63 LEU HB2 . 11299 1 703 . 1 1 63 63 LEU HB3 H 1 2.213 0.030 . 2 . . . . 63 LEU HB3 . 11299 1 704 . 1 1 63 63 LEU HD11 H 1 1.627 0.030 . 1 . . . . 63 LEU HD1 . 11299 1 705 . 1 1 63 63 LEU HD12 H 1 1.627 0.030 . 1 . . . . 63 LEU HD1 . 11299 1 706 . 1 1 63 63 LEU HD13 H 1 1.627 0.030 . 1 . . . . 63 LEU HD1 . 11299 1 707 . 1 1 63 63 LEU HD21 H 1 1.585 0.030 . 1 . . . . 63 LEU HD2 . 11299 1 708 . 1 1 63 63 LEU HD22 H 1 1.585 0.030 . 1 . . . . 63 LEU HD2 . 11299 1 709 . 1 1 63 63 LEU HD23 H 1 1.585 0.030 . 1 . . . . 63 LEU HD2 . 11299 1 710 . 1 1 63 63 LEU HG H 1 2.273 0.030 . 1 . . . . 63 LEU HG . 11299 1 711 . 1 1 63 63 LEU C C 13 177.160 0.300 . 1 . . . . 63 LEU C . 11299 1 712 . 1 1 63 63 LEU CA C 13 55.637 0.300 . 1 . . . . 63 LEU CA . 11299 1 713 . 1 1 63 63 LEU CB C 13 42.062 0.300 . 1 . . . . 63 LEU CB . 11299 1 714 . 1 1 63 63 LEU CD1 C 13 25.448 0.300 . 2 . . . . 63 LEU CD1 . 11299 1 715 . 1 1 63 63 LEU CD2 C 13 23.883 0.300 . 2 . . . . 63 LEU CD2 . 11299 1 716 . 1 1 63 63 LEU CG C 13 27.410 0.300 . 1 . . . . 63 LEU CG . 11299 1 717 . 1 1 63 63 LEU N N 15 126.822 0.300 . 1 . . . . 63 LEU N . 11299 1 718 . 1 1 64 64 SER H H 1 9.080 0.030 . 1 . . . . 64 SER H . 11299 1 719 . 1 1 64 64 SER HA H 1 5.233 0.030 . 1 . . . . 64 SER HA . 11299 1 720 . 1 1 64 64 SER HB2 H 1 4.612 0.030 . 1 . . . . 64 SER HB2 . 11299 1 721 . 1 1 64 64 SER HB3 H 1 4.612 0.030 . 1 . . . . 64 SER HB3 . 11299 1 722 . 1 1 64 64 SER CA C 13 58.185 0.300 . 1 . . . . 64 SER CA . 11299 1 723 . 1 1 64 64 SER CB C 13 64.055 0.300 . 1 . . . . 64 SER CB . 11299 1 724 . 1 1 64 64 SER N N 15 116.839 0.300 . 1 . . . . 64 SER N . 11299 1 stop_ save_