data_11220 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11220 _Entry.Title ; Solution structure of the second SH3 domain of human KIAA0769 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-22 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-07-21 _Entry.Original_release_date 2011-07-21 _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 X. Qin . . . 11220 2 C. Kurosaki . . . 11220 3 M. Yoshida . . . 11220 4 F. Hayashi . . . 11220 5 S. Yokoyama . . . 11220 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)' . 11220 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11220 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 297 11220 '15N chemical shifts' 72 11220 '1H chemical shifts' 454 11220 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 . . 2011-07-21 2010-07-22 original author . 11220 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DL7 'BMRB Entry Tracking System' 11220 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11220 _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 second SH3 domain of human KIAA0769 protein' _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 X. Qin . . . 11220 1 2 C. Kurosaki . . . 11220 1 3 M. Yoshida . . . 11220 1 4 F. Hayashi . . . 11220 1 5 S. Yokoyama . . . 11220 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11220 _Assembly.ID 1 _Assembly.Name 'second SH3 domain of human KIAA0769 protein' _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 'second SH3 domain of human KIAA0769 protein' 1 $entity_1 A . yes native no no . . . 11220 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 2dl7 . . . . . . 11220 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11220 _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 ; GSSGSSGVCFVKALYDYEGQ TDDELSFPEGAIIRILNKEN QDDDGFWEGEFNGRIGVFPS VLVEELSSGPSSG ; _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 73 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 2DL7 . "Solution Structure Of The Second Sh3 Domain Of Human Kiaa0769 Protein" . . . . . 100.00 73 100.00 100.00 2.73e-43 . . . . 11220 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' . 11220 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 . 11220 1 2 . SER . 11220 1 3 . SER . 11220 1 4 . GLY . 11220 1 5 . SER . 11220 1 6 . SER . 11220 1 7 . GLY . 11220 1 8 . VAL . 11220 1 9 . CYS . 11220 1 10 . PHE . 11220 1 11 . VAL . 11220 1 12 . LYS . 11220 1 13 . ALA . 11220 1 14 . LEU . 11220 1 15 . TYR . 11220 1 16 . ASP . 11220 1 17 . TYR . 11220 1 18 . GLU . 11220 1 19 . GLY . 11220 1 20 . GLN . 11220 1 21 . THR . 11220 1 22 . ASP . 11220 1 23 . ASP . 11220 1 24 . GLU . 11220 1 25 . LEU . 11220 1 26 . SER . 11220 1 27 . PHE . 11220 1 28 . PRO . 11220 1 29 . GLU . 11220 1 30 . GLY . 11220 1 31 . ALA . 11220 1 32 . ILE . 11220 1 33 . ILE . 11220 1 34 . ARG . 11220 1 35 . ILE . 11220 1 36 . LEU . 11220 1 37 . ASN . 11220 1 38 . LYS . 11220 1 39 . GLU . 11220 1 40 . ASN . 11220 1 41 . GLN . 11220 1 42 . ASP . 11220 1 43 . ASP . 11220 1 44 . ASP . 11220 1 45 . GLY . 11220 1 46 . PHE . 11220 1 47 . TRP . 11220 1 48 . GLU . 11220 1 49 . GLY . 11220 1 50 . GLU . 11220 1 51 . PHE . 11220 1 52 . ASN . 11220 1 53 . GLY . 11220 1 54 . ARG . 11220 1 55 . ILE . 11220 1 56 . GLY . 11220 1 57 . VAL . 11220 1 58 . PHE . 11220 1 59 . PRO . 11220 1 60 . SER . 11220 1 61 . VAL . 11220 1 62 . LEU . 11220 1 63 . VAL . 11220 1 64 . GLU . 11220 1 65 . GLU . 11220 1 66 . LEU . 11220 1 67 . SER . 11220 1 68 . SER . 11220 1 69 . GLY . 11220 1 70 . PRO . 11220 1 71 . SER . 11220 1 72 . SER . 11220 1 73 . GLY . 11220 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 11220 1 . SER 2 2 11220 1 . SER 3 3 11220 1 . GLY 4 4 11220 1 . SER 5 5 11220 1 . SER 6 6 11220 1 . GLY 7 7 11220 1 . VAL 8 8 11220 1 . CYS 9 9 11220 1 . PHE 10 10 11220 1 . VAL 11 11 11220 1 . LYS 12 12 11220 1 . ALA 13 13 11220 1 . LEU 14 14 11220 1 . TYR 15 15 11220 1 . ASP 16 16 11220 1 . TYR 17 17 11220 1 . GLU 18 18 11220 1 . GLY 19 19 11220 1 . GLN 20 20 11220 1 . THR 21 21 11220 1 . ASP 22 22 11220 1 . ASP 23 23 11220 1 . GLU 24 24 11220 1 . LEU 25 25 11220 1 . SER 26 26 11220 1 . PHE 27 27 11220 1 . PRO 28 28 11220 1 . GLU 29 29 11220 1 . GLY 30 30 11220 1 . ALA 31 31 11220 1 . ILE 32 32 11220 1 . ILE 33 33 11220 1 . ARG 34 34 11220 1 . ILE 35 35 11220 1 . LEU 36 36 11220 1 . ASN 37 37 11220 1 . LYS 38 38 11220 1 . GLU 39 39 11220 1 . ASN 40 40 11220 1 . GLN 41 41 11220 1 . ASP 42 42 11220 1 . ASP 43 43 11220 1 . ASP 44 44 11220 1 . GLY 45 45 11220 1 . PHE 46 46 11220 1 . TRP 47 47 11220 1 . GLU 48 48 11220 1 . GLY 49 49 11220 1 . GLU 50 50 11220 1 . PHE 51 51 11220 1 . ASN 52 52 11220 1 . GLY 53 53 11220 1 . ARG 54 54 11220 1 . ILE 55 55 11220 1 . GLY 56 56 11220 1 . VAL 57 57 11220 1 . PHE 58 58 11220 1 . PRO 59 59 11220 1 . SER 60 60 11220 1 . VAL 61 61 11220 1 . LEU 62 62 11220 1 . VAL 63 63 11220 1 . GLU 64 64 11220 1 . GLU 65 65 11220 1 . LEU 66 66 11220 1 . SER 67 67 11220 1 . SER 68 68 11220 1 . GLY 69 69 11220 1 . PRO 70 70 11220 1 . SER 71 71 11220 1 . SER 72 72 11220 1 . GLY 73 73 11220 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 11220 _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 . . . . . . . . . . . . . . . . . . . . . 11220 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 11220 _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 . . P050725-12 . . . . . . 11220 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11220 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.24mM 13C,15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 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 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.24 . . mM . . . . 11220 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11220 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11220 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11220 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11220 1 6 H2O . . . . . . solvent 90 . . % . . . . 11220 1 7 D2O . . . . . . solvent 10 . . % . . . . 11220 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 11220 _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 11220 1 pH 7.0 0.05 pH 11220 1 pressure 1 0.001 atm 11220 1 temperature 298 0.1 K 11220 1 stop_ save_ ############################ # Computer software used # ############################ save_Delta _Software.Sf_category software _Software.Sf_framecode Delta _Software.Entry_ID 11220 _Software.ID 1 _Software.Name Delta _Software.Version 4.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID JEOL . . 11220 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11220 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11220 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11220 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11220 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11220 _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.' . . 11220 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11220 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11220 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9296 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi N.' . . 11220 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11220 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11220 _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.' . . 11220 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11220 5 'structure solution' 11220 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 11220 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer JEOL _NMR_spectrometer.Model ECA _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 11220 _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 JEOL ECA . 800 . . . 11220 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 11220 _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 . . . . . . . . . . . . . . . . 11220 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11220 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 11220 _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 . . . . . . . . . 11220 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11220 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11220 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 11220 _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 11220 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11220 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 $Delta . . 11220 1 2 $NMRPipe . . 11220 1 3 $NMRView . . 11220 1 4 $Kujira . . 11220 1 5 $CYANA . . 11220 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 4.449 0.030 . 1 . . . . 6 SER HA . 11220 1 2 . 1 1 6 6 SER HB2 H 1 3.803 0.030 . 1 . . . . 6 SER HB2 . 11220 1 3 . 1 1 6 6 SER HB3 H 1 3.803 0.030 . 1 . . . . 6 SER HB3 . 11220 1 4 . 1 1 6 6 SER C C 13 172.291 0.300 . 1 . . . . 6 SER C . 11220 1 5 . 1 1 6 6 SER CA C 13 55.918 0.300 . 1 . . . . 6 SER CA . 11220 1 6 . 1 1 6 6 SER CB C 13 61.068 0.300 . 1 . . . . 6 SER CB . 11220 1 7 . 1 1 7 7 GLY H H 1 8.261 0.030 . 1 . . . . 7 GLY H . 11220 1 8 . 1 1 7 7 GLY HA2 H 1 3.862 0.030 . 1 . . . . 7 GLY HA2 . 11220 1 9 . 1 1 7 7 GLY HA3 H 1 3.862 0.030 . 1 . . . . 7 GLY HA3 . 11220 1 10 . 1 1 7 7 GLY C C 13 170.987 0.300 . 1 . . . . 7 GLY C . 11220 1 11 . 1 1 7 7 GLY CA C 13 42.547 0.300 . 1 . . . . 7 GLY CA . 11220 1 12 . 1 1 7 7 GLY N N 15 110.593 0.300 . 1 . . . . 7 GLY N . 11220 1 13 . 1 1 8 8 VAL H H 1 7.941 0.030 . 1 . . . . 8 VAL H . 11220 1 14 . 1 1 8 8 VAL HA H 1 3.915 0.030 . 1 . . . . 8 VAL HA . 11220 1 15 . 1 1 8 8 VAL HB H 1 1.818 0.030 . 1 . . . . 8 VAL HB . 11220 1 16 . 1 1 8 8 VAL HG11 H 1 0.609 0.030 . 1 . . . . 8 VAL HG1 . 11220 1 17 . 1 1 8 8 VAL HG12 H 1 0.609 0.030 . 1 . . . . 8 VAL HG1 . 11220 1 18 . 1 1 8 8 VAL HG13 H 1 0.609 0.030 . 1 . . . . 8 VAL HG1 . 11220 1 19 . 1 1 8 8 VAL HG21 H 1 0.752 0.030 . 1 . . . . 8 VAL HG2 . 11220 1 20 . 1 1 8 8 VAL HG22 H 1 0.752 0.030 . 1 . . . . 8 VAL HG2 . 11220 1 21 . 1 1 8 8 VAL HG23 H 1 0.752 0.030 . 1 . . . . 8 VAL HG2 . 11220 1 22 . 1 1 8 8 VAL C C 13 172.468 0.300 . 1 . . . . 8 VAL C . 11220 1 23 . 1 1 8 8 VAL CA C 13 59.708 0.300 . 1 . . . . 8 VAL CA . 11220 1 24 . 1 1 8 8 VAL CB C 13 30.223 0.300 . 1 . . . . 8 VAL CB . 11220 1 25 . 1 1 8 8 VAL CG1 C 13 18.957 0.300 . 2 . . . . 8 VAL CG1 . 11220 1 26 . 1 1 8 8 VAL CG2 C 13 18.306 0.300 . 2 . . . . 8 VAL CG2 . 11220 1 27 . 1 1 8 8 VAL N N 15 120.222 0.300 . 1 . . . . 8 VAL N . 11220 1 28 . 1 1 9 9 CYS H H 1 8.257 0.030 . 1 . . . . 9 CYS H . 11220 1 29 . 1 1 9 9 CYS HA H 1 4.546 0.030 . 1 . . . . 9 CYS HA . 11220 1 30 . 1 1 9 9 CYS HB2 H 1 2.739 0.030 . 2 . . . . 9 CYS HB2 . 11220 1 31 . 1 1 9 9 CYS HB3 H 1 2.640 0.030 . 2 . . . . 9 CYS HB3 . 11220 1 32 . 1 1 9 9 CYS C C 13 169.605 0.300 . 1 . . . . 9 CYS C . 11220 1 33 . 1 1 9 9 CYS CA C 13 55.146 0.300 . 1 . . . . 9 CYS CA . 11220 1 34 . 1 1 9 9 CYS CB C 13 26.313 0.300 . 1 . . . . 9 CYS CB . 11220 1 35 . 1 1 9 9 CYS N N 15 123.898 0.300 . 1 . . . . 9 CYS N . 11220 1 36 . 1 1 10 10 PHE H H 1 8.813 0.030 . 1 . . . . 10 PHE H . 11220 1 37 . 1 1 10 10 PHE HA H 1 5.445 0.030 . 1 . . . . 10 PHE HA . 11220 1 38 . 1 1 10 10 PHE HB2 H 1 2.824 0.030 . 2 . . . . 10 PHE HB2 . 11220 1 39 . 1 1 10 10 PHE HB3 H 1 2.727 0.030 . 2 . . . . 10 PHE HB3 . 11220 1 40 . 1 1 10 10 PHE HD1 H 1 7.029 0.030 . 1 . . . . 10 PHE HD1 . 11220 1 41 . 1 1 10 10 PHE HD2 H 1 7.029 0.030 . 1 . . . . 10 PHE HD2 . 11220 1 42 . 1 1 10 10 PHE HE1 H 1 7.254 0.030 . 1 . . . . 10 PHE HE1 . 11220 1 43 . 1 1 10 10 PHE HE2 H 1 7.254 0.030 . 1 . . . . 10 PHE HE2 . 11220 1 44 . 1 1 10 10 PHE HZ H 1 7.205 0.030 . 1 . . . . 10 PHE HZ . 11220 1 45 . 1 1 10 10 PHE C C 13 172.697 0.300 . 1 . . . . 10 PHE C . 11220 1 46 . 1 1 10 10 PHE CA C 13 54.108 0.300 . 1 . . . . 10 PHE CA . 11220 1 47 . 1 1 10 10 PHE CB C 13 40.550 0.300 . 1 . . . . 10 PHE CB . 11220 1 48 . 1 1 10 10 PHE CD1 C 13 129.070 0.300 . 1 . . . . 10 PHE CD1 . 11220 1 49 . 1 1 10 10 PHE CD2 C 13 129.070 0.300 . 1 . . . . 10 PHE CD2 . 11220 1 50 . 1 1 10 10 PHE CE1 C 13 128.946 0.300 . 1 . . . . 10 PHE CE1 . 11220 1 51 . 1 1 10 10 PHE CE2 C 13 128.946 0.300 . 1 . . . . 10 PHE CE2 . 11220 1 52 . 1 1 10 10 PHE CZ C 13 127.086 0.300 . 1 . . . . 10 PHE CZ . 11220 1 53 . 1 1 10 10 PHE N N 15 122.768 0.300 . 1 . . . . 10 PHE N . 11220 1 54 . 1 1 11 11 VAL H H 1 8.985 0.030 . 1 . . . . 11 VAL H . 11220 1 55 . 1 1 11 11 VAL HA H 1 5.035 0.030 . 1 . . . . 11 VAL HA . 11220 1 56 . 1 1 11 11 VAL HB H 1 1.909 0.030 . 1 . . . . 11 VAL HB . 11220 1 57 . 1 1 11 11 VAL HG11 H 1 0.928 0.030 . 1 . . . . 11 VAL HG1 . 11220 1 58 . 1 1 11 11 VAL HG12 H 1 0.928 0.030 . 1 . . . . 11 VAL HG1 . 11220 1 59 . 1 1 11 11 VAL HG13 H 1 0.928 0.030 . 1 . . . . 11 VAL HG1 . 11220 1 60 . 1 1 11 11 VAL HG21 H 1 0.658 0.030 . 1 . . . . 11 VAL HG2 . 11220 1 61 . 1 1 11 11 VAL HG22 H 1 0.658 0.030 . 1 . . . . 11 VAL HG2 . 11220 1 62 . 1 1 11 11 VAL HG23 H 1 0.658 0.030 . 1 . . . . 11 VAL HG2 . 11220 1 63 . 1 1 11 11 VAL C C 13 170.130 0.300 . 1 . . . . 11 VAL C . 11220 1 64 . 1 1 11 11 VAL CA C 13 55.451 0.300 . 1 . . . . 11 VAL CA . 11220 1 65 . 1 1 11 11 VAL CB C 13 33.037 0.300 . 1 . . . . 11 VAL CB . 11220 1 66 . 1 1 11 11 VAL CG1 C 13 19.153 0.300 . 2 . . . . 11 VAL CG1 . 11220 1 67 . 1 1 11 11 VAL CG2 C 13 17.687 0.300 . 2 . . . . 11 VAL CG2 . 11220 1 68 . 1 1 11 11 VAL N N 15 112.184 0.300 . 1 . . . . 11 VAL N . 11220 1 69 . 1 1 12 12 LYS H H 1 8.949 0.030 . 1 . . . . 12 LYS H . 11220 1 70 . 1 1 12 12 LYS HA H 1 5.302 0.030 . 1 . . . . 12 LYS HA . 11220 1 71 . 1 1 12 12 LYS HB2 H 1 1.317 0.030 . 2 . . . . 12 LYS HB2 . 11220 1 72 . 1 1 12 12 LYS HB3 H 1 1.599 0.030 . 2 . . . . 12 LYS HB3 . 11220 1 73 . 1 1 12 12 LYS HD2 H 1 1.497 0.030 . 1 . . . . 12 LYS HD2 . 11220 1 74 . 1 1 12 12 LYS HD3 H 1 1.497 0.030 . 1 . . . . 12 LYS HD3 . 11220 1 75 . 1 1 12 12 LYS HE2 H 1 2.720 0.030 . 2 . . . . 12 LYS HE2 . 11220 1 76 . 1 1 12 12 LYS HE3 H 1 2.795 0.030 . 2 . . . . 12 LYS HE3 . 11220 1 77 . 1 1 12 12 LYS HG2 H 1 1.084 0.030 . 2 . . . . 12 LYS HG2 . 11220 1 78 . 1 1 12 12 LYS HG3 H 1 1.006 0.030 . 2 . . . . 12 LYS HG3 . 11220 1 79 . 1 1 12 12 LYS C C 13 173.729 0.300 . 1 . . . . 12 LYS C . 11220 1 80 . 1 1 12 12 LYS CA C 13 50.508 0.300 . 1 . . . . 12 LYS CA . 11220 1 81 . 1 1 12 12 LYS CB C 13 33.589 0.300 . 1 . . . . 12 LYS CB . 11220 1 82 . 1 1 12 12 LYS CD C 13 27.037 0.300 . 1 . . . . 12 LYS CD . 11220 1 83 . 1 1 12 12 LYS CE C 13 39.201 0.300 . 1 . . . . 12 LYS CE . 11220 1 84 . 1 1 12 12 LYS CG C 13 21.830 0.300 . 1 . . . . 12 LYS CG . 11220 1 85 . 1 1 12 12 LYS N N 15 120.539 0.300 . 1 . . . . 12 LYS N . 11220 1 86 . 1 1 13 13 ALA H H 1 8.880 0.030 . 1 . . . . 13 ALA H . 11220 1 87 . 1 1 13 13 ALA HA H 1 4.158 0.030 . 1 . . . . 13 ALA HA . 11220 1 88 . 1 1 13 13 ALA HB1 H 1 1.257 0.030 . 1 . . . . 13 ALA HB . 11220 1 89 . 1 1 13 13 ALA HB2 H 1 1.257 0.030 . 1 . . . . 13 ALA HB . 11220 1 90 . 1 1 13 13 ALA HB3 H 1 1.257 0.030 . 1 . . . . 13 ALA HB . 11220 1 91 . 1 1 13 13 ALA C C 13 176.467 0.300 . 1 . . . . 13 ALA C . 11220 1 92 . 1 1 13 13 ALA CA C 13 50.102 0.300 . 1 . . . . 13 ALA CA . 11220 1 93 . 1 1 13 13 ALA CB C 13 18.299 0.300 . 1 . . . . 13 ALA CB . 11220 1 94 . 1 1 13 13 ALA N N 15 127.521 0.300 . 1 . . . . 13 ALA N . 11220 1 95 . 1 1 14 14 LEU H H 1 9.413 0.030 . 1 . . . . 14 LEU H . 11220 1 96 . 1 1 14 14 LEU HA H 1 4.001 0.030 . 1 . . . . 14 LEU HA . 11220 1 97 . 1 1 14 14 LEU HB2 H 1 1.434 0.030 . 2 . . . . 14 LEU HB2 . 11220 1 98 . 1 1 14 14 LEU HB3 H 1 0.875 0.030 . 2 . . . . 14 LEU HB3 . 11220 1 99 . 1 1 14 14 LEU HD11 H 1 0.703 0.030 . 1 . . . . 14 LEU HD1 . 11220 1 100 . 1 1 14 14 LEU HD12 H 1 0.703 0.030 . 1 . . . . 14 LEU HD1 . 11220 1 101 . 1 1 14 14 LEU HD13 H 1 0.703 0.030 . 1 . . . . 14 LEU HD1 . 11220 1 102 . 1 1 14 14 LEU HD21 H 1 0.610 0.030 . 1 . . . . 14 LEU HD2 . 11220 1 103 . 1 1 14 14 LEU HD22 H 1 0.610 0.030 . 1 . . . . 14 LEU HD2 . 11220 1 104 . 1 1 14 14 LEU HD23 H 1 0.610 0.030 . 1 . . . . 14 LEU HD2 . 11220 1 105 . 1 1 14 14 LEU HG H 1 1.361 0.030 . 1 . . . . 14 LEU HG . 11220 1 106 . 1 1 14 14 LEU C C 13 172.237 0.300 . 1 . . . . 14 LEU C . 11220 1 107 . 1 1 14 14 LEU CA C 13 52.805 0.300 . 1 . . . . 14 LEU CA . 11220 1 108 . 1 1 14 14 LEU CB C 13 40.910 0.300 . 1 . . . . 14 LEU CB . 11220 1 109 . 1 1 14 14 LEU CD1 C 13 22.781 0.300 . 2 . . . . 14 LEU CD1 . 11220 1 110 . 1 1 14 14 LEU CD2 C 13 19.372 0.300 . 2 . . . . 14 LEU CD2 . 11220 1 111 . 1 1 14 14 LEU CG C 13 24.521 0.300 . 1 . . . . 14 LEU CG . 11220 1 112 . 1 1 14 14 LEU N N 15 126.860 0.300 . 1 . . . . 14 LEU N . 11220 1 113 . 1 1 15 15 TYR H H 1 7.212 0.030 . 1 . . . . 15 TYR H . 11220 1 114 . 1 1 15 15 TYR HA H 1 4.588 0.030 . 1 . . . . 15 TYR HA . 11220 1 115 . 1 1 15 15 TYR HB2 H 1 2.356 0.030 . 2 . . . . 15 TYR HB2 . 11220 1 116 . 1 1 15 15 TYR HB3 H 1 3.343 0.030 . 2 . . . . 15 TYR HB3 . 11220 1 117 . 1 1 15 15 TYR HD1 H 1 7.089 0.030 . 1 . . . . 15 TYR HD1 . 11220 1 118 . 1 1 15 15 TYR HD2 H 1 7.089 0.030 . 1 . . . . 15 TYR HD2 . 11220 1 119 . 1 1 15 15 TYR HE1 H 1 6.725 0.030 . 1 . . . . 15 TYR HE1 . 11220 1 120 . 1 1 15 15 TYR HE2 H 1 6.725 0.030 . 1 . . . . 15 TYR HE2 . 11220 1 121 . 1 1 15 15 TYR C C 13 170.745 0.300 . 1 . . . . 15 TYR C . 11220 1 122 . 1 1 15 15 TYR CA C 13 52.781 0.300 . 1 . . . . 15 TYR CA . 11220 1 123 . 1 1 15 15 TYR CB C 13 41.229 0.300 . 1 . . . . 15 TYR CB . 11220 1 124 . 1 1 15 15 TYR CD1 C 13 131.748 0.300 . 1 . . . . 15 TYR CD1 . 11220 1 125 . 1 1 15 15 TYR CD2 C 13 131.748 0.300 . 1 . . . . 15 TYR CD2 . 11220 1 126 . 1 1 15 15 TYR CE1 C 13 115.378 0.300 . 1 . . . . 15 TYR CE1 . 11220 1 127 . 1 1 15 15 TYR CE2 C 13 115.378 0.300 . 1 . . . . 15 TYR CE2 . 11220 1 128 . 1 1 15 15 TYR N N 15 112.735 0.300 . 1 . . . . 15 TYR N . 11220 1 129 . 1 1 16 16 ASP H H 1 8.136 0.030 . 1 . . . . 16 ASP H . 11220 1 130 . 1 1 16 16 ASP HA H 1 4.667 0.030 . 1 . . . . 16 ASP HA . 11220 1 131 . 1 1 16 16 ASP HB2 H 1 2.587 0.030 . 2 . . . . 16 ASP HB2 . 11220 1 132 . 1 1 16 16 ASP HB3 H 1 2.468 0.030 . 2 . . . . 16 ASP HB3 . 11220 1 133 . 1 1 16 16 ASP C C 13 173.117 0.300 . 1 . . . . 16 ASP C . 11220 1 134 . 1 1 16 16 ASP CA C 13 51.670 0.300 . 1 . . . . 16 ASP CA . 11220 1 135 . 1 1 16 16 ASP CB C 13 39.886 0.300 . 1 . . . . 16 ASP CB . 11220 1 136 . 1 1 16 16 ASP N N 15 116.721 0.300 . 1 . . . . 16 ASP N . 11220 1 137 . 1 1 17 17 TYR H H 1 8.766 0.030 . 1 . . . . 17 TYR H . 11220 1 138 . 1 1 17 17 TYR HA H 1 4.332 0.030 . 1 . . . . 17 TYR HA . 11220 1 139 . 1 1 17 17 TYR HB2 H 1 2.194 0.030 . 2 . . . . 17 TYR HB2 . 11220 1 140 . 1 1 17 17 TYR HB3 H 1 1.034 0.030 . 2 . . . . 17 TYR HB3 . 11220 1 141 . 1 1 17 17 TYR HD1 H 1 6.956 0.030 . 1 . . . . 17 TYR HD1 . 11220 1 142 . 1 1 17 17 TYR HD2 H 1 6.956 0.030 . 1 . . . . 17 TYR HD2 . 11220 1 143 . 1 1 17 17 TYR HE1 H 1 6.800 0.030 . 1 . . . . 17 TYR HE1 . 11220 1 144 . 1 1 17 17 TYR HE2 H 1 6.800 0.030 . 1 . . . . 17 TYR HE2 . 11220 1 145 . 1 1 17 17 TYR C C 13 171.396 0.300 . 1 . . . . 17 TYR C . 11220 1 146 . 1 1 17 17 TYR CA C 13 55.942 0.300 . 1 . . . . 17 TYR CA . 11220 1 147 . 1 1 17 17 TYR CB C 13 39.781 0.300 . 1 . . . . 17 TYR CB . 11220 1 148 . 1 1 17 17 TYR CD1 C 13 131.280 0.300 . 1 . . . . 17 TYR CD1 . 11220 1 149 . 1 1 17 17 TYR CD2 C 13 131.280 0.300 . 1 . . . . 17 TYR CD2 . 11220 1 150 . 1 1 17 17 TYR CE1 C 13 115.517 0.300 . 1 . . . . 17 TYR CE1 . 11220 1 151 . 1 1 17 17 TYR CE2 C 13 115.517 0.300 . 1 . . . . 17 TYR CE2 . 11220 1 152 . 1 1 17 17 TYR N N 15 120.240 0.300 . 1 . . . . 17 TYR N . 11220 1 153 . 1 1 18 18 GLU H H 1 7.352 0.030 . 1 . . . . 18 GLU H . 11220 1 154 . 1 1 18 18 GLU HA H 1 4.108 0.030 . 1 . . . . 18 GLU HA . 11220 1 155 . 1 1 18 18 GLU HB2 H 1 1.547 0.030 . 2 . . . . 18 GLU HB2 . 11220 1 156 . 1 1 18 18 GLU HB3 H 1 1.464 0.030 . 2 . . . . 18 GLU HB3 . 11220 1 157 . 1 1 18 18 GLU HG2 H 1 1.921 0.030 . 2 . . . . 18 GLU HG2 . 11220 1 158 . 1 1 18 18 GLU HG3 H 1 1.850 0.030 . 2 . . . . 18 GLU HG3 . 11220 1 159 . 1 1 18 18 GLU C C 13 171.682 0.300 . 1 . . . . 18 GLU C . 11220 1 160 . 1 1 18 18 GLU CA C 13 51.043 0.300 . 1 . . . . 18 GLU CA . 11220 1 161 . 1 1 18 18 GLU CB C 13 27.761 0.300 . 1 . . . . 18 GLU CB . 11220 1 162 . 1 1 18 18 GLU CG C 13 33.217 0.300 . 1 . . . . 18 GLU CG . 11220 1 163 . 1 1 18 18 GLU N N 15 129.089 0.300 . 1 . . . . 18 GLU N . 11220 1 164 . 1 1 19 19 GLY H H 1 8.515 0.030 . 1 . . . . 19 GLY H . 11220 1 165 . 1 1 19 19 GLY HA2 H 1 3.314 0.030 . 2 . . . . 19 GLY HA2 . 11220 1 166 . 1 1 19 19 GLY HA3 H 1 3.898 0.030 . 2 . . . . 19 GLY HA3 . 11220 1 167 . 1 1 19 19 GLY C C 13 172.403 0.300 . 1 . . . . 19 GLY C . 11220 1 168 . 1 1 19 19 GLY CA C 13 43.802 0.300 . 1 . . . . 19 GLY CA . 11220 1 169 . 1 1 19 19 GLY N N 15 113.931 0.300 . 1 . . . . 19 GLY N . 11220 1 170 . 1 1 20 20 GLN H H 1 9.201 0.030 . 1 . . . . 20 GLN H . 11220 1 171 . 1 1 20 20 GLN HA H 1 4.093 0.030 . 1 . . . . 20 GLN HA . 11220 1 172 . 1 1 20 20 GLN HB2 H 1 2.004 0.030 . 2 . . . . 20 GLN HB2 . 11220 1 173 . 1 1 20 20 GLN HB3 H 1 2.174 0.030 . 2 . . . . 20 GLN HB3 . 11220 1 174 . 1 1 20 20 GLN HE21 H 1 7.443 0.030 . 2 . . . . 20 GLN HE21 . 11220 1 175 . 1 1 20 20 GLN HE22 H 1 6.788 0.030 . 2 . . . . 20 GLN HE22 . 11220 1 176 . 1 1 20 20 GLN HG2 H 1 2.438 0.030 . 2 . . . . 20 GLN HG2 . 11220 1 177 . 1 1 20 20 GLN HG3 H 1 2.313 0.030 . 2 . . . . 20 GLN HG3 . 11220 1 178 . 1 1 20 20 GLN C C 13 173.593 0.300 . 1 . . . . 20 GLN C . 11220 1 179 . 1 1 20 20 GLN CA C 13 53.810 0.300 . 1 . . . . 20 GLN CA . 11220 1 180 . 1 1 20 20 GLN CB C 13 28.123 0.300 . 1 . . . . 20 GLN CB . 11220 1 181 . 1 1 20 20 GLN CG C 13 31.865 0.300 . 1 . . . . 20 GLN CG . 11220 1 182 . 1 1 20 20 GLN N N 15 122.627 0.300 . 1 . . . . 20 GLN N . 11220 1 183 . 1 1 20 20 GLN NE2 N 15 114.277 0.300 . 1 . . . . 20 GLN NE2 . 11220 1 184 . 1 1 21 21 THR H H 1 7.304 0.030 . 1 . . . . 21 THR H . 11220 1 185 . 1 1 21 21 THR HA H 1 4.599 0.030 . 1 . . . . 21 THR HA . 11220 1 186 . 1 1 21 21 THR HB H 1 4.439 0.030 . 1 . . . . 21 THR HB . 11220 1 187 . 1 1 21 21 THR HG21 H 1 1.067 0.030 . 1 . . . . 21 THR HG2 . 11220 1 188 . 1 1 21 21 THR HG22 H 1 1.067 0.030 . 1 . . . . 21 THR HG2 . 11220 1 189 . 1 1 21 21 THR HG23 H 1 1.067 0.030 . 1 . . . . 21 THR HG2 . 11220 1 190 . 1 1 21 21 THR C C 13 173.156 0.300 . 1 . . . . 21 THR C . 11220 1 191 . 1 1 21 21 THR CA C 13 56.546 0.300 . 1 . . . . 21 THR CA . 11220 1 192 . 1 1 21 21 THR CB C 13 69.430 0.300 . 1 . . . . 21 THR CB . 11220 1 193 . 1 1 21 21 THR CG2 C 13 18.846 0.300 . 1 . . . . 21 THR CG2 . 11220 1 194 . 1 1 21 21 THR N N 15 107.333 0.300 . 1 . . . . 21 THR N . 11220 1 195 . 1 1 22 22 ASP H H 1 8.800 0.030 . 1 . . . . 22 ASP H . 11220 1 196 . 1 1 22 22 ASP HA H 1 4.401 0.030 . 1 . . . . 22 ASP HA . 11220 1 197 . 1 1 22 22 ASP HB2 H 1 2.716 0.030 . 2 . . . . 22 ASP HB2 . 11220 1 198 . 1 1 22 22 ASP HB3 H 1 2.564 0.030 . 2 . . . . 22 ASP HB3 . 11220 1 199 . 1 1 22 22 ASP C C 13 173.593 0.300 . 1 . . . . 22 ASP C . 11220 1 200 . 1 1 22 22 ASP CA C 13 54.036 0.300 . 1 . . . . 22 ASP CA . 11220 1 201 . 1 1 22 22 ASP CB C 13 38.016 0.300 . 1 . . . . 22 ASP CB . 11220 1 202 . 1 1 22 22 ASP N N 15 119.609 0.300 . 1 . . . . 22 ASP N . 11220 1 203 . 1 1 23 23 ASP H H 1 7.951 0.030 . 1 . . . . 23 ASP H . 11220 1 204 . 1 1 23 23 ASP HA H 1 4.712 0.030 . 1 . . . . 23 ASP HA . 11220 1 205 . 1 1 23 23 ASP HB2 H 1 2.388 0.030 . 2 . . . . 23 ASP HB2 . 11220 1 206 . 1 1 23 23 ASP HB3 H 1 2.775 0.030 . 2 . . . . 23 ASP HB3 . 11220 1 207 . 1 1 23 23 ASP C C 13 173.749 0.300 . 1 . . . . 23 ASP C . 11220 1 208 . 1 1 23 23 ASP CA C 13 52.153 0.300 . 1 . . . . 23 ASP CA . 11220 1 209 . 1 1 23 23 ASP CB C 13 38.912 0.300 . 1 . . . . 23 ASP CB . 11220 1 210 . 1 1 23 23 ASP N N 15 115.788 0.300 . 1 . . . . 23 ASP N . 11220 1 211 . 1 1 24 24 GLU H H 1 7.500 0.030 . 1 . . . . 24 GLU H . 11220 1 212 . 1 1 24 24 GLU HA H 1 5.126 0.030 . 1 . . . . 24 GLU HA . 11220 1 213 . 1 1 24 24 GLU HB2 H 1 1.992 0.030 . 2 . . . . 24 GLU HB2 . 11220 1 214 . 1 1 24 24 GLU HB3 H 1 2.617 0.030 . 2 . . . . 24 GLU HB3 . 11220 1 215 . 1 1 24 24 GLU HG2 H 1 2.506 0.030 . 2 . . . . 24 GLU HG2 . 11220 1 216 . 1 1 24 24 GLU HG3 H 1 2.232 0.030 . 2 . . . . 24 GLU HG3 . 11220 1 217 . 1 1 24 24 GLU C C 13 174.117 0.300 . 1 . . . . 24 GLU C . 11220 1 218 . 1 1 24 24 GLU CA C 13 52.998 0.300 . 1 . . . . 24 GLU CA . 11220 1 219 . 1 1 24 24 GLU CB C 13 30.354 0.300 . 1 . . . . 24 GLU CB . 11220 1 220 . 1 1 24 24 GLU CG C 13 34.565 0.300 . 1 . . . . 24 GLU CG . 11220 1 221 . 1 1 24 24 GLU N N 15 119.032 0.300 . 1 . . . . 24 GLU N . 11220 1 222 . 1 1 25 25 LEU H H 1 8.738 0.030 . 1 . . . . 25 LEU H . 11220 1 223 . 1 1 25 25 LEU HA H 1 4.410 0.030 . 1 . . . . 25 LEU HA . 11220 1 224 . 1 1 25 25 LEU HB2 H 1 1.324 0.030 . 2 . . . . 25 LEU HB2 . 11220 1 225 . 1 1 25 25 LEU HB3 H 1 1.806 0.030 . 2 . . . . 25 LEU HB3 . 11220 1 226 . 1 1 25 25 LEU HD11 H 1 0.993 0.030 . 1 . . . . 25 LEU HD1 . 11220 1 227 . 1 1 25 25 LEU HD12 H 1 0.993 0.030 . 1 . . . . 25 LEU HD1 . 11220 1 228 . 1 1 25 25 LEU HD13 H 1 0.993 0.030 . 1 . . . . 25 LEU HD1 . 11220 1 229 . 1 1 25 25 LEU HD21 H 1 0.854 0.030 . 1 . . . . 25 LEU HD2 . 11220 1 230 . 1 1 25 25 LEU HD22 H 1 0.854 0.030 . 1 . . . . 25 LEU HD2 . 11220 1 231 . 1 1 25 25 LEU HD23 H 1 0.854 0.030 . 1 . . . . 25 LEU HD2 . 11220 1 232 . 1 1 25 25 LEU HG H 1 1.732 0.030 . 1 . . . . 25 LEU HG . 11220 1 233 . 1 1 25 25 LEU C C 13 171.565 0.300 . 1 . . . . 25 LEU C . 11220 1 234 . 1 1 25 25 LEU CA C 13 51.502 0.300 . 1 . . . . 25 LEU CA . 11220 1 235 . 1 1 25 25 LEU CB C 13 43.039 0.300 . 1 . . . . 25 LEU CB . 11220 1 236 . 1 1 25 25 LEU CD1 C 13 21.994 0.300 . 2 . . . . 25 LEU CD1 . 11220 1 237 . 1 1 25 25 LEU CD2 C 13 22.171 0.300 . 2 . . . . 25 LEU CD2 . 11220 1 238 . 1 1 25 25 LEU CG C 13 24.568 0.300 . 1 . . . . 25 LEU CG . 11220 1 239 . 1 1 25 25 LEU N N 15 124.380 0.300 . 1 . . . . 25 LEU N . 11220 1 240 . 1 1 26 26 SER H H 1 7.178 0.030 . 1 . . . . 26 SER H . 11220 1 241 . 1 1 26 26 SER HA H 1 4.728 0.030 . 1 . . . . 26 SER HA . 11220 1 242 . 1 1 26 26 SER HB2 H 1 3.872 0.030 . 2 . . . . 26 SER HB2 . 11220 1 243 . 1 1 26 26 SER HB3 H 1 3.611 0.030 . 2 . . . . 26 SER HB3 . 11220 1 244 . 1 1 26 26 SER C C 13 171.174 0.300 . 1 . . . . 26 SER C . 11220 1 245 . 1 1 26 26 SER CA C 13 55.001 0.300 . 1 . . . . 26 SER CA . 11220 1 246 . 1 1 26 26 SER CB C 13 62.930 0.300 . 1 . . . . 26 SER CB . 11220 1 247 . 1 1 26 26 SER N N 15 112.684 0.300 . 1 . . . . 26 SER N . 11220 1 248 . 1 1 27 27 PHE H H 1 8.305 0.030 . 1 . . . . 27 PHE H . 11220 1 249 . 1 1 27 27 PHE HA H 1 4.771 0.030 . 1 . . . . 27 PHE HA . 11220 1 250 . 1 1 27 27 PHE HB2 H 1 2.470 0.030 . 2 . . . . 27 PHE HB2 . 11220 1 251 . 1 1 27 27 PHE HB3 H 1 2.030 0.030 . 2 . . . . 27 PHE HB3 . 11220 1 252 . 1 1 27 27 PHE HD1 H 1 6.413 0.030 . 1 . . . . 27 PHE HD1 . 11220 1 253 . 1 1 27 27 PHE HD2 H 1 6.413 0.030 . 1 . . . . 27 PHE HD2 . 11220 1 254 . 1 1 27 27 PHE HE1 H 1 6.318 0.030 . 1 . . . . 27 PHE HE1 . 11220 1 255 . 1 1 27 27 PHE HE2 H 1 6.318 0.030 . 1 . . . . 27 PHE HE2 . 11220 1 256 . 1 1 27 27 PHE HZ H 1 6.677 0.030 . 1 . . . . 27 PHE HZ . 11220 1 257 . 1 1 27 27 PHE C C 13 169.746 0.300 . 1 . . . . 27 PHE C . 11220 1 258 . 1 1 27 27 PHE CA C 13 51.307 0.300 . 1 . . . . 27 PHE CA . 11220 1 259 . 1 1 27 27 PHE CB C 13 34.645 0.300 . 1 . . . . 27 PHE CB . 11220 1 260 . 1 1 27 27 PHE CD1 C 13 130.583 0.300 . 1 . . . . 27 PHE CD1 . 11220 1 261 . 1 1 27 27 PHE CD2 C 13 130.583 0.300 . 1 . . . . 27 PHE CD2 . 11220 1 262 . 1 1 27 27 PHE CE1 C 13 125.338 0.300 . 1 . . . . 27 PHE CE1 . 11220 1 263 . 1 1 27 27 PHE CE2 C 13 125.338 0.300 . 1 . . . . 27 PHE CE2 . 11220 1 264 . 1 1 27 27 PHE CZ C 13 128.070 0.300 . 1 . . . . 27 PHE CZ . 11220 1 265 . 1 1 27 27 PHE N N 15 117.919 0.300 . 1 . . . . 27 PHE N . 11220 1 266 . 1 1 28 28 PRO HA H 1 5.044 0.030 . 1 . . . . 28 PRO HA . 11220 1 267 . 1 1 28 28 PRO HB2 H 1 2.095 0.030 . 2 . . . . 28 PRO HB2 . 11220 1 268 . 1 1 28 28 PRO HB3 H 1 2.017 0.030 . 2 . . . . 28 PRO HB3 . 11220 1 269 . 1 1 28 28 PRO HD2 H 1 3.313 0.030 . 2 . . . . 28 PRO HD2 . 11220 1 270 . 1 1 28 28 PRO HD3 H 1 3.676 0.030 . 2 . . . . 28 PRO HD3 . 11220 1 271 . 1 1 28 28 PRO HG2 H 1 1.791 0.030 . 2 . . . . 28 PRO HG2 . 11220 1 272 . 1 1 28 28 PRO HG3 H 1 2.098 0.030 . 2 . . . . 28 PRO HG3 . 11220 1 273 . 1 1 28 28 PRO C C 13 173.429 0.300 . 1 . . . . 28 PRO C . 11220 1 274 . 1 1 28 28 PRO CA C 13 57.994 0.300 . 1 . . . . 28 PRO CA . 11220 1 275 . 1 1 28 28 PRO CB C 13 30.063 0.300 . 1 . . . . 28 PRO CB . 11220 1 276 . 1 1 28 28 PRO CD C 13 47.860 0.300 . 1 . . . . 28 PRO CD . 11220 1 277 . 1 1 28 28 PRO CG C 13 23.337 0.300 . 1 . . . . 28 PRO CG . 11220 1 278 . 1 1 29 29 GLU H H 1 8.699 0.030 . 1 . . . . 29 GLU H . 11220 1 279 . 1 1 29 29 GLU HA H 1 3.121 0.030 . 1 . . . . 29 GLU HA . 11220 1 280 . 1 1 29 29 GLU HB2 H 1 1.724 0.030 . 1 . . . . 29 GLU HB2 . 11220 1 281 . 1 1 29 29 GLU HB3 H 1 1.724 0.030 . 1 . . . . 29 GLU HB3 . 11220 1 282 . 1 1 29 29 GLU HG2 H 1 1.914 0.030 . 2 . . . . 29 GLU HG2 . 11220 1 283 . 1 1 29 29 GLU HG3 H 1 1.794 0.030 . 2 . . . . 29 GLU HG3 . 11220 1 284 . 1 1 29 29 GLU C C 13 174.226 0.300 . 1 . . . . 29 GLU C . 11220 1 285 . 1 1 29 29 GLU CA C 13 55.822 0.300 . 1 . . . . 29 GLU CA . 11220 1 286 . 1 1 29 29 GLU CB C 13 26.700 0.300 . 1 . . . . 29 GLU CB . 11220 1 287 . 1 1 29 29 GLU CG C 13 32.721 0.300 . 1 . . . . 29 GLU CG . 11220 1 288 . 1 1 29 29 GLU N N 15 119.556 0.300 . 1 . . . . 29 GLU N . 11220 1 289 . 1 1 30 30 GLY H H 1 8.434 0.030 . 1 . . . . 30 GLY H . 11220 1 290 . 1 1 30 30 GLY HA2 H 1 4.173 0.030 . 2 . . . . 30 GLY HA2 . 11220 1 291 . 1 1 30 30 GLY HA3 H 1 3.291 0.030 . 2 . . . . 30 GLY HA3 . 11220 1 292 . 1 1 30 30 GLY C C 13 170.786 0.300 . 1 . . . . 30 GLY C . 11220 1 293 . 1 1 30 30 GLY CA C 13 42.316 0.300 . 1 . . . . 30 GLY CA . 11220 1 294 . 1 1 30 30 GLY N N 15 114.595 0.300 . 1 . . . . 30 GLY N . 11220 1 295 . 1 1 31 31 ALA H H 1 7.564 0.030 . 1 . . . . 31 ALA H . 11220 1 296 . 1 1 31 31 ALA HA H 1 3.939 0.030 . 1 . . . . 31 ALA HA . 11220 1 297 . 1 1 31 31 ALA HB1 H 1 0.633 0.030 . 1 . . . . 31 ALA HB . 11220 1 298 . 1 1 31 31 ALA HB2 H 1 0.633 0.030 . 1 . . . . 31 ALA HB . 11220 1 299 . 1 1 31 31 ALA HB3 H 1 0.633 0.030 . 1 . . . . 31 ALA HB . 11220 1 300 . 1 1 31 31 ALA C C 13 173.086 0.300 . 1 . . . . 31 ALA C . 11220 1 301 . 1 1 31 31 ALA CA C 13 50.146 0.300 . 1 . . . . 31 ALA CA . 11220 1 302 . 1 1 31 31 ALA CB C 13 17.624 0.300 . 1 . . . . 31 ALA CB . 11220 1 303 . 1 1 31 31 ALA N N 15 122.837 0.300 . 1 . . . . 31 ALA N . 11220 1 304 . 1 1 32 32 ILE H H 1 7.934 0.030 . 1 . . . . 32 ILE H . 11220 1 305 . 1 1 32 32 ILE HA H 1 4.853 0.030 . 1 . . . . 32 ILE HA . 11220 1 306 . 1 1 32 32 ILE HB H 1 1.886 0.030 . 1 . . . . 32 ILE HB . 11220 1 307 . 1 1 32 32 ILE HD11 H 1 0.653 0.030 . 1 . . . . 32 ILE HD1 . 11220 1 308 . 1 1 32 32 ILE HD12 H 1 0.653 0.030 . 1 . . . . 32 ILE HD1 . 11220 1 309 . 1 1 32 32 ILE HD13 H 1 0.653 0.030 . 1 . . . . 32 ILE HD1 . 11220 1 310 . 1 1 32 32 ILE HG12 H 1 1.449 0.030 . 2 . . . . 32 ILE HG12 . 11220 1 311 . 1 1 32 32 ILE HG13 H 1 1.246 0.030 . 2 . . . . 32 ILE HG13 . 11220 1 312 . 1 1 32 32 ILE HG21 H 1 0.736 0.030 . 1 . . . . 32 ILE HG2 . 11220 1 313 . 1 1 32 32 ILE HG22 H 1 0.736 0.030 . 1 . . . . 32 ILE HG2 . 11220 1 314 . 1 1 32 32 ILE HG23 H 1 0.736 0.030 . 1 . . . . 32 ILE HG2 . 11220 1 315 . 1 1 32 32 ILE C C 13 173.284 0.300 . 1 . . . . 32 ILE C . 11220 1 316 . 1 1 32 32 ILE CA C 13 56.549 0.300 . 1 . . . . 32 ILE CA . 11220 1 317 . 1 1 32 32 ILE CB C 13 34.008 0.300 . 1 . . . . 32 ILE CB . 11220 1 318 . 1 1 32 32 ILE CD1 C 13 8.409 0.300 . 1 . . . . 32 ILE CD1 . 11220 1 319 . 1 1 32 32 ILE CG1 C 13 24.279 0.300 . 1 . . . . 32 ILE CG1 . 11220 1 320 . 1 1 32 32 ILE CG2 C 13 15.080 0.300 . 1 . . . . 32 ILE CG2 . 11220 1 321 . 1 1 32 32 ILE N N 15 120.475 0.300 . 1 . . . . 32 ILE N . 11220 1 322 . 1 1 33 33 ILE H H 1 8.805 0.030 . 1 . . . . 33 ILE H . 11220 1 323 . 1 1 33 33 ILE HA H 1 4.284 0.030 . 1 . . . . 33 ILE HA . 11220 1 324 . 1 1 33 33 ILE HB H 1 1.074 0.030 . 1 . . . . 33 ILE HB . 11220 1 325 . 1 1 33 33 ILE HD11 H 1 -1.038 0.030 . 1 . . . . 33 ILE HD1 . 11220 1 326 . 1 1 33 33 ILE HD12 H 1 -1.038 0.030 . 1 . . . . 33 ILE HD1 . 11220 1 327 . 1 1 33 33 ILE HD13 H 1 -1.038 0.030 . 1 . . . . 33 ILE HD1 . 11220 1 328 . 1 1 33 33 ILE HG12 H 1 0.667 0.030 . 2 . . . . 33 ILE HG12 . 11220 1 329 . 1 1 33 33 ILE HG13 H 1 -0.026 0.030 . 2 . . . . 33 ILE HG13 . 11220 1 330 . 1 1 33 33 ILE HG21 H 1 0.404 0.030 . 1 . . . . 33 ILE HG2 . 11220 1 331 . 1 1 33 33 ILE HG22 H 1 0.404 0.030 . 1 . . . . 33 ILE HG2 . 11220 1 332 . 1 1 33 33 ILE HG23 H 1 0.404 0.030 . 1 . . . . 33 ILE HG2 . 11220 1 333 . 1 1 33 33 ILE C C 13 172.308 0.300 . 1 . . . . 33 ILE C . 11220 1 334 . 1 1 33 33 ILE CA C 13 57.763 0.300 . 1 . . . . 33 ILE CA . 11220 1 335 . 1 1 33 33 ILE CB C 13 38.831 0.300 . 1 . . . . 33 ILE CB . 11220 1 336 . 1 1 33 33 ILE CD1 C 13 10.519 0.300 . 1 . . . . 33 ILE CD1 . 11220 1 337 . 1 1 33 33 ILE CG1 C 13 24.926 0.300 . 1 . . . . 33 ILE CG1 . 11220 1 338 . 1 1 33 33 ILE CG2 C 13 14.934 0.300 . 1 . . . . 33 ILE CG2 . 11220 1 339 . 1 1 33 33 ILE N N 15 129.511 0.300 . 1 . . . . 33 ILE N . 11220 1 340 . 1 1 34 34 ARG H H 1 8.303 0.030 . 1 . . . . 34 ARG H . 11220 1 341 . 1 1 34 34 ARG HA H 1 4.238 0.030 . 1 . . . . 34 ARG HA . 11220 1 342 . 1 1 34 34 ARG HB2 H 1 1.911 0.030 . 2 . . . . 34 ARG HB2 . 11220 1 343 . 1 1 34 34 ARG HB3 H 1 1.773 0.030 . 2 . . . . 34 ARG HB3 . 11220 1 344 . 1 1 34 34 ARG HD2 H 1 2.978 0.030 . 2 . . . . 34 ARG HD2 . 11220 1 345 . 1 1 34 34 ARG HD3 H 1 3.082 0.030 . 2 . . . . 34 ARG HD3 . 11220 1 346 . 1 1 34 34 ARG HE H 1 7.295 0.030 . 1 . . . . 34 ARG HE . 11220 1 347 . 1 1 34 34 ARG HG2 H 1 1.026 0.030 . 2 . . . . 34 ARG HG2 . 11220 1 348 . 1 1 34 34 ARG HG3 H 1 0.884 0.030 . 2 . . . . 34 ARG HG3 . 11220 1 349 . 1 1 34 34 ARG C C 13 173.019 0.300 . 1 . . . . 34 ARG C . 11220 1 350 . 1 1 34 34 ARG CA C 13 52.841 0.300 . 1 . . . . 34 ARG CA . 11220 1 351 . 1 1 34 34 ARG CB C 13 29.788 0.300 . 1 . . . . 34 ARG CB . 11220 1 352 . 1 1 34 34 ARG CD C 13 40.940 0.300 . 1 . . . . 34 ARG CD . 11220 1 353 . 1 1 34 34 ARG CG C 13 25.003 0.300 . 1 . . . . 34 ARG CG . 11220 1 354 . 1 1 34 34 ARG N N 15 128.247 0.300 . 1 . . . . 34 ARG N . 11220 1 355 . 1 1 34 34 ARG NE N 15 83.461 0.300 . 1 . . . . 34 ARG NE . 11220 1 356 . 1 1 35 35 ILE H H 1 8.598 0.030 . 1 . . . . 35 ILE H . 11220 1 357 . 1 1 35 35 ILE HA H 1 4.250 0.030 . 1 . . . . 35 ILE HA . 11220 1 358 . 1 1 35 35 ILE HB H 1 1.891 0.030 . 1 . . . . 35 ILE HB . 11220 1 359 . 1 1 35 35 ILE HD11 H 1 0.837 0.030 . 1 . . . . 35 ILE HD1 . 11220 1 360 . 1 1 35 35 ILE HD12 H 1 0.837 0.030 . 1 . . . . 35 ILE HD1 . 11220 1 361 . 1 1 35 35 ILE HD13 H 1 0.837 0.030 . 1 . . . . 35 ILE HD1 . 11220 1 362 . 1 1 35 35 ILE HG12 H 1 1.440 0.030 . 2 . . . . 35 ILE HG12 . 11220 1 363 . 1 1 35 35 ILE HG13 H 1 1.081 0.030 . 2 . . . . 35 ILE HG13 . 11220 1 364 . 1 1 35 35 ILE HG21 H 1 0.439 0.030 . 1 . . . . 35 ILE HG2 . 11220 1 365 . 1 1 35 35 ILE HG22 H 1 0.439 0.030 . 1 . . . . 35 ILE HG2 . 11220 1 366 . 1 1 35 35 ILE HG23 H 1 0.439 0.030 . 1 . . . . 35 ILE HG2 . 11220 1 367 . 1 1 35 35 ILE C C 13 173.031 0.300 . 1 . . . . 35 ILE C . 11220 1 368 . 1 1 35 35 ILE CA C 13 56.370 0.300 . 1 . . . . 35 ILE CA . 11220 1 369 . 1 1 35 35 ILE CB C 13 33.198 0.300 . 1 . . . . 35 ILE CB . 11220 1 370 . 1 1 35 35 ILE CD1 C 13 8.495 0.300 . 1 . . . . 35 ILE CD1 . 11220 1 371 . 1 1 35 35 ILE CG1 C 13 24.926 0.300 . 1 . . . . 35 ILE CG1 . 11220 1 372 . 1 1 35 35 ILE CG2 C 13 15.037 0.300 . 1 . . . . 35 ILE CG2 . 11220 1 373 . 1 1 35 35 ILE N N 15 126.851 0.300 . 1 . . . . 35 ILE N . 11220 1 374 . 1 1 36 36 LEU H H 1 9.029 0.030 . 1 . . . . 36 LEU H . 11220 1 375 . 1 1 36 36 LEU HA H 1 4.383 0.030 . 1 . . . . 36 LEU HA . 11220 1 376 . 1 1 36 36 LEU HB2 H 1 1.256 0.030 . 2 . . . . 36 LEU HB2 . 11220 1 377 . 1 1 36 36 LEU HB3 H 1 1.481 0.030 . 2 . . . . 36 LEU HB3 . 11220 1 378 . 1 1 36 36 LEU HD11 H 1 0.786 0.030 . 1 . . . . 36 LEU HD1 . 11220 1 379 . 1 1 36 36 LEU HD12 H 1 0.786 0.030 . 1 . . . . 36 LEU HD1 . 11220 1 380 . 1 1 36 36 LEU HD13 H 1 0.786 0.030 . 1 . . . . 36 LEU HD1 . 11220 1 381 . 1 1 36 36 LEU HD21 H 1 0.711 0.030 . 1 . . . . 36 LEU HD2 . 11220 1 382 . 1 1 36 36 LEU HD22 H 1 0.711 0.030 . 1 . . . . 36 LEU HD2 . 11220 1 383 . 1 1 36 36 LEU HD23 H 1 0.711 0.030 . 1 . . . . 36 LEU HD2 . 11220 1 384 . 1 1 36 36 LEU HG H 1 1.490 0.030 . 1 . . . . 36 LEU HG . 11220 1 385 . 1 1 36 36 LEU C C 13 174.357 0.300 . 1 . . . . 36 LEU C . 11220 1 386 . 1 1 36 36 LEU CA C 13 52.901 0.300 . 1 . . . . 36 LEU CA . 11220 1 387 . 1 1 36 36 LEU CB C 13 40.505 0.300 . 1 . . . . 36 LEU CB . 11220 1 388 . 1 1 36 36 LEU CD1 C 13 23.362 0.300 . 2 . . . . 36 LEU CD1 . 11220 1 389 . 1 1 36 36 LEU CD2 C 13 20.802 0.300 . 2 . . . . 36 LEU CD2 . 11220 1 390 . 1 1 36 36 LEU CG C 13 25.772 0.300 . 1 . . . . 36 LEU CG . 11220 1 391 . 1 1 36 36 LEU N N 15 128.182 0.300 . 1 . . . . 36 LEU N . 11220 1 392 . 1 1 37 37 ASN H H 1 7.696 0.030 . 1 . . . . 37 ASN H . 11220 1 393 . 1 1 37 37 ASN HA H 1 4.529 0.030 . 1 . . . . 37 ASN HA . 11220 1 394 . 1 1 37 37 ASN HB2 H 1 2.664 0.030 . 1 . . . . 37 ASN HB2 . 11220 1 395 . 1 1 37 37 ASN HB3 H 1 2.664 0.030 . 1 . . . . 37 ASN HB3 . 11220 1 396 . 1 1 37 37 ASN HD21 H 1 7.729 0.030 . 2 . . . . 37 ASN HD21 . 11220 1 397 . 1 1 37 37 ASN HD22 H 1 6.818 0.030 . 2 . . . . 37 ASN HD22 . 11220 1 398 . 1 1 37 37 ASN C C 13 171.234 0.300 . 1 . . . . 37 ASN C . 11220 1 399 . 1 1 37 37 ASN CA C 13 51.333 0.300 . 1 . . . . 37 ASN CA . 11220 1 400 . 1 1 37 37 ASN CB C 13 38.694 0.300 . 1 . . . . 37 ASN CB . 11220 1 401 . 1 1 37 37 ASN N N 15 116.098 0.300 . 1 . . . . 37 ASN N . 11220 1 402 . 1 1 37 37 ASN ND2 N 15 113.949 0.300 . 1 . . . . 37 ASN ND2 . 11220 1 403 . 1 1 38 38 LYS H H 1 8.604 0.030 . 1 . . . . 38 LYS H . 11220 1 404 . 1 1 38 38 LYS HA H 1 3.904 0.030 . 1 . . . . 38 LYS HA . 11220 1 405 . 1 1 38 38 LYS HB2 H 1 0.835 0.030 . 2 . . . . 38 LYS HB2 . 11220 1 406 . 1 1 38 38 LYS HB3 H 1 0.737 0.030 . 2 . . . . 38 LYS HB3 . 11220 1 407 . 1 1 38 38 LYS HD2 H 1 0.903 0.030 . 1 . . . . 38 LYS HD2 . 11220 1 408 . 1 1 38 38 LYS HD3 H 1 0.903 0.030 . 1 . . . . 38 LYS HD3 . 11220 1 409 . 1 1 38 38 LYS HE2 H 1 2.265 0.030 . 2 . . . . 38 LYS HE2 . 11220 1 410 . 1 1 38 38 LYS HE3 H 1 1.777 0.030 . 2 . . . . 38 LYS HE3 . 11220 1 411 . 1 1 38 38 LYS HG2 H 1 -0.128 0.030 . 2 . . . . 38 LYS HG2 . 11220 1 412 . 1 1 38 38 LYS HG3 H 1 0.543 0.030 . 2 . . . . 38 LYS HG3 . 11220 1 413 . 1 1 38 38 LYS C C 13 173.144 0.300 . 1 . . . . 38 LYS C . 11220 1 414 . 1 1 38 38 LYS CA C 13 52.950 0.300 . 1 . . . . 38 LYS CA . 11220 1 415 . 1 1 38 38 LYS CB C 13 29.854 0.300 . 1 . . . . 38 LYS CB . 11220 1 416 . 1 1 38 38 LYS CD C 13 27.091 0.300 . 1 . . . . 38 LYS CD . 11220 1 417 . 1 1 38 38 LYS CE C 13 38.694 0.300 . 1 . . . . 38 LYS CE . 11220 1 418 . 1 1 38 38 LYS CG C 13 21.288 0.300 . 1 . . . . 38 LYS CG . 11220 1 419 . 1 1 38 38 LYS N N 15 123.715 0.300 . 1 . . . . 38 LYS N . 11220 1 420 . 1 1 39 39 GLU H H 1 7.978 0.030 . 1 . . . . 39 GLU H . 11220 1 421 . 1 1 39 39 GLU HA H 1 4.160 0.030 . 1 . . . . 39 GLU HA . 11220 1 422 . 1 1 39 39 GLU HB2 H 1 1.972 0.030 . 2 . . . . 39 GLU HB2 . 11220 1 423 . 1 1 39 39 GLU HB3 H 1 1.888 0.030 . 2 . . . . 39 GLU HB3 . 11220 1 424 . 1 1 39 39 GLU HG2 H 1 2.135 0.030 . 1 . . . . 39 GLU HG2 . 11220 1 425 . 1 1 39 39 GLU HG3 H 1 2.135 0.030 . 1 . . . . 39 GLU HG3 . 11220 1 426 . 1 1 39 39 GLU C C 13 174.022 0.300 . 1 . . . . 39 GLU C . 11220 1 427 . 1 1 39 39 GLU CA C 13 54.615 0.300 . 1 . . . . 39 GLU CA . 11220 1 428 . 1 1 39 39 GLU CB C 13 27.689 0.300 . 1 . . . . 39 GLU CB . 11220 1 429 . 1 1 39 39 GLU CG C 13 33.771 0.300 . 1 . . . . 39 GLU CG . 11220 1 430 . 1 1 39 39 GLU N N 15 119.093 0.300 . 1 . . . . 39 GLU N . 11220 1 431 . 1 1 40 40 ASN H H 1 8.451 0.030 . 1 . . . . 40 ASN H . 11220 1 432 . 1 1 40 40 ASN HA H 1 4.611 0.030 . 1 . . . . 40 ASN HA . 11220 1 433 . 1 1 40 40 ASN HB2 H 1 2.720 0.030 . 2 . . . . 40 ASN HB2 . 11220 1 434 . 1 1 40 40 ASN HB3 H 1 2.915 0.030 . 2 . . . . 40 ASN HB3 . 11220 1 435 . 1 1 40 40 ASN HD21 H 1 7.585 0.030 . 2 . . . . 40 ASN HD21 . 11220 1 436 . 1 1 40 40 ASN HD22 H 1 7.040 0.030 . 2 . . . . 40 ASN HD22 . 11220 1 437 . 1 1 40 40 ASN C C 13 173.120 0.300 . 1 . . . . 40 ASN C . 11220 1 438 . 1 1 40 40 ASN CA C 13 51.019 0.300 . 1 . . . . 40 ASN CA . 11220 1 439 . 1 1 40 40 ASN CB C 13 36.385 0.300 . 1 . . . . 40 ASN CB . 11220 1 440 . 1 1 40 40 ASN N N 15 118.035 0.300 . 1 . . . . 40 ASN N . 11220 1 441 . 1 1 40 40 ASN ND2 N 15 112.869 0.300 . 1 . . . . 40 ASN ND2 . 11220 1 442 . 1 1 41 41 GLN H H 1 8.487 0.030 . 1 . . . . 41 GLN H . 11220 1 443 . 1 1 41 41 GLN HA H 1 4.289 0.030 . 1 . . . . 41 GLN HA . 11220 1 444 . 1 1 41 41 GLN HB2 H 1 2.172 0.030 . 2 . . . . 41 GLN HB2 . 11220 1 445 . 1 1 41 41 GLN HB3 H 1 1.910 0.030 . 2 . . . . 41 GLN HB3 . 11220 1 446 . 1 1 41 41 GLN HE21 H 1 6.658 0.030 . 2 . . . . 41 GLN HE21 . 11220 1 447 . 1 1 41 41 GLN HE22 H 1 7.354 0.030 . 2 . . . . 41 GLN HE22 . 11220 1 448 . 1 1 41 41 GLN HG2 H 1 2.249 0.030 . 1 . . . . 41 GLN HG2 . 11220 1 449 . 1 1 41 41 GLN HG3 H 1 2.249 0.030 . 1 . . . . 41 GLN HG3 . 11220 1 450 . 1 1 41 41 GLN C C 13 173.457 0.300 . 1 . . . . 41 GLN C . 11220 1 451 . 1 1 41 41 GLN CA C 13 53.384 0.300 . 1 . . . . 41 GLN CA . 11220 1 452 . 1 1 41 41 GLN CB C 13 26.530 0.300 . 1 . . . . 41 GLN CB . 11220 1 453 . 1 1 41 41 GLN CG C 13 31.378 0.300 . 1 . . . . 41 GLN CG . 11220 1 454 . 1 1 41 41 GLN N N 15 121.677 0.300 . 1 . . . . 41 GLN N . 11220 1 455 . 1 1 41 41 GLN NE2 N 15 112.575 0.300 . 1 . . . . 41 GLN NE2 . 11220 1 456 . 1 1 42 42 ASP H H 1 8.365 0.030 . 1 . . . . 42 ASP H . 11220 1 457 . 1 1 42 42 ASP HA H 1 4.461 0.030 . 1 . . . . 42 ASP HA . 11220 1 458 . 1 1 42 42 ASP HB2 H 1 2.609 0.030 . 1 . . . . 42 ASP HB2 . 11220 1 459 . 1 1 42 42 ASP HB3 H 1 2.609 0.030 . 1 . . . . 42 ASP HB3 . 11220 1 460 . 1 1 42 42 ASP C C 13 174.083 0.300 . 1 . . . . 42 ASP C . 11220 1 461 . 1 1 42 42 ASP CA C 13 52.588 0.300 . 1 . . . . 42 ASP CA . 11220 1 462 . 1 1 42 42 ASP CB C 13 38.550 0.300 . 1 . . . . 42 ASP CB . 11220 1 463 . 1 1 42 42 ASP N N 15 120.505 0.300 . 1 . . . . 42 ASP N . 11220 1 464 . 1 1 43 43 ASP H H 1 8.286 0.030 . 1 . . . . 43 ASP H . 11220 1 465 . 1 1 43 43 ASP HA H 1 4.425 0.030 . 1 . . . . 43 ASP HA . 11220 1 466 . 1 1 43 43 ASP HB2 H 1 2.562 0.030 . 2 . . . . 43 ASP HB2 . 11220 1 467 . 1 1 43 43 ASP HB3 H 1 2.367 0.030 . 2 . . . . 43 ASP HB3 . 11220 1 468 . 1 1 43 43 ASP C C 13 173.530 0.300 . 1 . . . . 43 ASP C . 11220 1 469 . 1 1 43 43 ASP CA C 13 52.443 0.300 . 1 . . . . 43 ASP CA . 11220 1 470 . 1 1 43 43 ASP CB C 13 38.332 0.300 . 1 . . . . 43 ASP CB . 11220 1 471 . 1 1 43 43 ASP N N 15 120.528 0.300 . 1 . . . . 43 ASP N . 11220 1 472 . 1 1 44 44 ASP H H 1 8.178 0.030 . 1 . . . . 44 ASP H . 11220 1 473 . 1 1 44 44 ASP HA H 1 4.491 0.030 . 1 . . . . 44 ASP HA . 11220 1 474 . 1 1 44 44 ASP HB2 H 1 2.540 0.030 . 2 . . . . 44 ASP HB2 . 11220 1 475 . 1 1 44 44 ASP HB3 H 1 2.718 0.030 . 2 . . . . 44 ASP HB3 . 11220 1 476 . 1 1 44 44 ASP C C 13 174.408 0.300 . 1 . . . . 44 ASP C . 11220 1 477 . 1 1 44 44 ASP CA C 13 51.546 0.300 . 1 . . . . 44 ASP CA . 11220 1 478 . 1 1 44 44 ASP CB C 13 38.057 0.300 . 1 . . . . 44 ASP CB . 11220 1 479 . 1 1 44 44 ASP N N 15 119.533 0.300 . 1 . . . . 44 ASP N . 11220 1 480 . 1 1 45 45 GLY H H 1 8.264 0.030 . 1 . . . . 45 GLY H . 11220 1 481 . 1 1 45 45 GLY HA2 H 1 3.814 0.030 . 2 . . . . 45 GLY HA2 . 11220 1 482 . 1 1 45 45 GLY HA3 H 1 3.759 0.030 . 2 . . . . 45 GLY HA3 . 11220 1 483 . 1 1 45 45 GLY C C 13 171.147 0.300 . 1 . . . . 45 GLY C . 11220 1 484 . 1 1 45 45 GLY CA C 13 42.740 0.300 . 1 . . . . 45 GLY CA . 11220 1 485 . 1 1 45 45 GLY N N 15 107.706 0.300 . 1 . . . . 45 GLY N . 11220 1 486 . 1 1 46 46 PHE H H 1 8.083 0.030 . 1 . . . . 46 PHE H . 11220 1 487 . 1 1 46 46 PHE HA H 1 4.851 0.030 . 1 . . . . 46 PHE HA . 11220 1 488 . 1 1 46 46 PHE HB2 H 1 2.456 0.030 . 2 . . . . 46 PHE HB2 . 11220 1 489 . 1 1 46 46 PHE HB3 H 1 3.032 0.030 . 2 . . . . 46 PHE HB3 . 11220 1 490 . 1 1 46 46 PHE HD1 H 1 6.848 0.030 . 1 . . . . 46 PHE HD1 . 11220 1 491 . 1 1 46 46 PHE HD2 H 1 6.848 0.030 . 1 . . . . 46 PHE HD2 . 11220 1 492 . 1 1 46 46 PHE HE1 H 1 7.175 0.030 . 1 . . . . 46 PHE HE1 . 11220 1 493 . 1 1 46 46 PHE HE2 H 1 7.175 0.030 . 1 . . . . 46 PHE HE2 . 11220 1 494 . 1 1 46 46 PHE HZ H 1 7.219 0.030 . 1 . . . . 46 PHE HZ . 11220 1 495 . 1 1 46 46 PHE C C 13 172.796 0.300 . 1 . . . . 46 PHE C . 11220 1 496 . 1 1 46 46 PHE CA C 13 54.055 0.300 . 1 . . . . 46 PHE CA . 11220 1 497 . 1 1 46 46 PHE CB C 13 37.904 0.300 . 1 . . . . 46 PHE CB . 11220 1 498 . 1 1 46 46 PHE CD1 C 13 128.063 0.300 . 1 . . . . 46 PHE CD1 . 11220 1 499 . 1 1 46 46 PHE CD2 C 13 128.063 0.300 . 1 . . . . 46 PHE CD2 . 11220 1 500 . 1 1 46 46 PHE CE1 C 13 128.235 0.300 . 1 . . . . 46 PHE CE1 . 11220 1 501 . 1 1 46 46 PHE CE2 C 13 128.235 0.300 . 1 . . . . 46 PHE CE2 . 11220 1 502 . 1 1 46 46 PHE CZ C 13 127.758 0.300 . 1 . . . . 46 PHE CZ . 11220 1 503 . 1 1 46 46 PHE N N 15 120.964 0.300 . 1 . . . . 46 PHE N . 11220 1 504 . 1 1 47 47 TRP H H 1 8.132 0.030 . 1 . . . . 47 TRP H . 11220 1 505 . 1 1 47 47 TRP HA H 1 5.032 0.030 . 1 . . . . 47 TRP HA . 11220 1 506 . 1 1 47 47 TRP HB2 H 1 2.111 0.030 . 2 . . . . 47 TRP HB2 . 11220 1 507 . 1 1 47 47 TRP HB3 H 1 2.807 0.030 . 2 . . . . 47 TRP HB3 . 11220 1 508 . 1 1 47 47 TRP HD1 H 1 7.081 0.030 . 1 . . . . 47 TRP HD1 . 11220 1 509 . 1 1 47 47 TRP HE1 H 1 10.005 0.030 . 1 . . . . 47 TRP HE1 . 11220 1 510 . 1 1 47 47 TRP HE3 H 1 7.156 0.030 . 1 . . . . 47 TRP HE3 . 11220 1 511 . 1 1 47 47 TRP HH2 H 1 7.133 0.030 . 1 . . . . 47 TRP HH2 . 11220 1 512 . 1 1 47 47 TRP HZ2 H 1 7.417 0.030 . 1 . . . . 47 TRP HZ2 . 11220 1 513 . 1 1 47 47 TRP HZ3 H 1 6.752 0.030 . 1 . . . . 47 TRP HZ3 . 11220 1 514 . 1 1 47 47 TRP C C 13 170.387 0.300 . 1 . . . . 47 TRP C . 11220 1 515 . 1 1 47 47 TRP CA C 13 49.933 0.300 . 1 . . . . 47 TRP CA . 11220 1 516 . 1 1 47 47 TRP CB C 13 30.500 0.300 . 1 . . . . 47 TRP CB . 11220 1 517 . 1 1 47 47 TRP CD1 C 13 121.250 0.300 . 1 . . . . 47 TRP CD1 . 11220 1 518 . 1 1 47 47 TRP CE3 C 13 116.550 0.300 . 1 . . . . 47 TRP CE3 . 11220 1 519 . 1 1 47 47 TRP CH2 C 13 122.049 0.300 . 1 . . . . 47 TRP CH2 . 11220 1 520 . 1 1 47 47 TRP CZ2 C 13 112.083 0.300 . 1 . . . . 47 TRP CZ2 . 11220 1 521 . 1 1 47 47 TRP CZ3 C 13 118.686 0.300 . 1 . . . . 47 TRP CZ3 . 11220 1 522 . 1 1 47 47 TRP N N 15 121.853 0.300 . 1 . . . . 47 TRP N . 11220 1 523 . 1 1 47 47 TRP NE1 N 15 128.499 0.300 . 1 . . . . 47 TRP NE1 . 11220 1 524 . 1 1 48 48 GLU H H 1 8.504 0.030 . 1 . . . . 48 GLU H . 11220 1 525 . 1 1 48 48 GLU HA H 1 5.024 0.030 . 1 . . . . 48 GLU HA . 11220 1 526 . 1 1 48 48 GLU HB2 H 1 2.081 0.030 . 2 . . . . 48 GLU HB2 . 11220 1 527 . 1 1 48 48 GLU HB3 H 1 1.780 0.030 . 2 . . . . 48 GLU HB3 . 11220 1 528 . 1 1 48 48 GLU HG2 H 1 2.028 0.030 . 2 . . . . 48 GLU HG2 . 11220 1 529 . 1 1 48 48 GLU HG3 H 1 1.977 0.030 . 2 . . . . 48 GLU HG3 . 11220 1 530 . 1 1 48 48 GLU C C 13 174.305 0.300 . 1 . . . . 48 GLU C . 11220 1 531 . 1 1 48 48 GLU CA C 13 52.201 0.300 . 1 . . . . 48 GLU CA . 11220 1 532 . 1 1 48 48 GLU CB C 13 30.883 0.300 . 1 . . . . 48 GLU CB . 11220 1 533 . 1 1 48 48 GLU CG C 13 34.425 0.300 . 1 . . . . 48 GLU CG . 11220 1 534 . 1 1 48 48 GLU N N 15 118.904 0.300 . 1 . . . . 48 GLU N . 11220 1 535 . 1 1 49 49 GLY H H 1 9.465 0.030 . 1 . . . . 49 GLY H . 11220 1 536 . 1 1 49 49 GLY HA2 H 1 3.724 0.030 . 2 . . . . 49 GLY HA2 . 11220 1 537 . 1 1 49 49 GLY HA3 H 1 5.221 0.030 . 2 . . . . 49 GLY HA3 . 11220 1 538 . 1 1 49 49 GLY C C 13 166.411 0.300 . 1 . . . . 49 GLY C . 11220 1 539 . 1 1 49 49 GLY CA C 13 43.320 0.300 . 1 . . . . 49 GLY CA . 11220 1 540 . 1 1 49 49 GLY N N 15 114.506 0.300 . 1 . . . . 49 GLY N . 11220 1 541 . 1 1 50 50 GLU H H 1 9.048 0.030 . 1 . . . . 50 GLU H . 11220 1 542 . 1 1 50 50 GLU HA H 1 5.635 0.030 . 1 . . . . 50 GLU HA . 11220 1 543 . 1 1 50 50 GLU HB2 H 1 2.023 0.030 . 2 . . . . 50 GLU HB2 . 11220 1 544 . 1 1 50 50 GLU HB3 H 1 1.765 0.030 . 2 . . . . 50 GLU HB3 . 11220 1 545 . 1 1 50 50 GLU HG2 H 1 2.080 0.030 . 2 . . . . 50 GLU HG2 . 11220 1 546 . 1 1 50 50 GLU HG3 H 1 1.888 0.030 . 2 . . . . 50 GLU HG3 . 11220 1 547 . 1 1 50 50 GLU C C 13 172.815 0.300 . 1 . . . . 50 GLU C . 11220 1 548 . 1 1 50 50 GLU CA C 13 51.594 0.300 . 1 . . . . 50 GLU CA . 11220 1 549 . 1 1 50 50 GLU CB C 13 31.198 0.300 . 1 . . . . 50 GLU CB . 11220 1 550 . 1 1 50 50 GLU CG C 13 33.516 0.300 . 1 . . . . 50 GLU CG . 11220 1 551 . 1 1 50 50 GLU N N 15 119.225 0.300 . 1 . . . . 50 GLU N . 11220 1 552 . 1 1 51 51 PHE H H 1 9.164 0.030 . 1 . . . . 51 PHE H . 11220 1 553 . 1 1 51 51 PHE HA H 1 4.902 0.030 . 1 . . . . 51 PHE HA . 11220 1 554 . 1 1 51 51 PHE HB2 H 1 3.133 0.030 . 2 . . . . 51 PHE HB2 . 11220 1 555 . 1 1 51 51 PHE HB3 H 1 2.783 0.030 . 2 . . . . 51 PHE HB3 . 11220 1 556 . 1 1 51 51 PHE HD1 H 1 7.398 0.030 . 1 . . . . 51 PHE HD1 . 11220 1 557 . 1 1 51 51 PHE HD2 H 1 7.398 0.030 . 1 . . . . 51 PHE HD2 . 11220 1 558 . 1 1 51 51 PHE HE1 H 1 7.481 0.030 . 1 . . . . 51 PHE HE1 . 11220 1 559 . 1 1 51 51 PHE HE2 H 1 7.481 0.030 . 1 . . . . 51 PHE HE2 . 11220 1 560 . 1 1 51 51 PHE HZ H 1 7.299 0.030 . 1 . . . . 51 PHE HZ . 11220 1 561 . 1 1 51 51 PHE C C 13 172.043 0.300 . 1 . . . . 51 PHE C . 11220 1 562 . 1 1 51 51 PHE CA C 13 54.784 0.300 . 1 . . . . 51 PHE CA . 11220 1 563 . 1 1 51 51 PHE CB C 13 40.855 0.300 . 1 . . . . 51 PHE CB . 11220 1 564 . 1 1 51 51 PHE CD1 C 13 129.552 0.300 . 1 . . . . 51 PHE CD1 . 11220 1 565 . 1 1 51 51 PHE CD2 C 13 129.552 0.300 . 1 . . . . 51 PHE CD2 . 11220 1 566 . 1 1 51 51 PHE CE1 C 13 129.599 0.300 . 1 . . . . 51 PHE CE1 . 11220 1 567 . 1 1 51 51 PHE CE2 C 13 129.599 0.300 . 1 . . . . 51 PHE CE2 . 11220 1 568 . 1 1 51 51 PHE CZ C 13 127.680 0.300 . 1 . . . . 51 PHE CZ . 11220 1 569 . 1 1 51 51 PHE N N 15 126.637 0.300 . 1 . . . . 51 PHE N . 11220 1 570 . 1 1 52 52 ASN H H 1 9.086 0.030 . 1 . . . . 52 ASN H . 11220 1 571 . 1 1 52 52 ASN HA H 1 4.006 0.030 . 1 . . . . 52 ASN HA . 11220 1 572 . 1 1 52 52 ASN HB2 H 1 1.482 0.030 . 2 . . . . 52 ASN HB2 . 11220 1 573 . 1 1 52 52 ASN HB3 H 1 2.740 0.030 . 2 . . . . 52 ASN HB3 . 11220 1 574 . 1 1 52 52 ASN HD21 H 1 7.079 0.030 . 2 . . . . 52 ASN HD21 . 11220 1 575 . 1 1 52 52 ASN HD22 H 1 6.505 0.030 . 2 . . . . 52 ASN HD22 . 11220 1 576 . 1 1 52 52 ASN C C 13 172.386 0.300 . 1 . . . . 52 ASN C . 11220 1 577 . 1 1 52 52 ASN CA C 13 50.488 0.300 . 1 . . . . 52 ASN CA . 11220 1 578 . 1 1 52 52 ASN CB C 13 34.464 0.300 . 1 . . . . 52 ASN CB . 11220 1 579 . 1 1 52 52 ASN N N 15 129.404 0.300 . 1 . . . . 52 ASN N . 11220 1 580 . 1 1 52 52 ASN ND2 N 15 111.005 0.300 . 1 . . . . 52 ASN ND2 . 11220 1 581 . 1 1 53 53 GLY H H 1 8.972 0.030 . 1 . . . . 53 GLY H . 11220 1 582 . 1 1 53 53 GLY HA2 H 1 3.532 0.030 . 2 . . . . 53 GLY HA2 . 11220 1 583 . 1 1 53 53 GLY HA3 H 1 4.032 0.030 . 2 . . . . 53 GLY HA3 . 11220 1 584 . 1 1 53 53 GLY C C 13 171.065 0.300 . 1 . . . . 53 GLY C . 11220 1 585 . 1 1 53 53 GLY CA C 13 42.896 0.300 . 1 . . . . 53 GLY CA . 11220 1 586 . 1 1 53 53 GLY N N 15 104.228 0.300 . 1 . . . . 53 GLY N . 11220 1 587 . 1 1 54 54 ARG H H 1 7.737 0.030 . 1 . . . . 54 ARG H . 11220 1 588 . 1 1 54 54 ARG HA H 1 4.630 0.030 . 1 . . . . 54 ARG HA . 11220 1 589 . 1 1 54 54 ARG HB2 H 1 1.877 0.030 . 1 . . . . 54 ARG HB2 . 11220 1 590 . 1 1 54 54 ARG HB3 H 1 1.877 0.030 . 1 . . . . 54 ARG HB3 . 11220 1 591 . 1 1 54 54 ARG HD2 H 1 3.281 0.030 . 1 . . . . 54 ARG HD2 . 11220 1 592 . 1 1 54 54 ARG HD3 H 1 3.281 0.030 . 1 . . . . 54 ARG HD3 . 11220 1 593 . 1 1 54 54 ARG HE H 1 7.293 0.030 . 1 . . . . 54 ARG HE . 11220 1 594 . 1 1 54 54 ARG HG2 H 1 1.698 0.030 . 2 . . . . 54 ARG HG2 . 11220 1 595 . 1 1 54 54 ARG HG3 H 1 1.580 0.030 . 2 . . . . 54 ARG HG3 . 11220 1 596 . 1 1 54 54 ARG C C 13 171.164 0.300 . 1 . . . . 54 ARG C . 11220 1 597 . 1 1 54 54 ARG CA C 13 52.057 0.300 . 1 . . . . 54 ARG CA . 11220 1 598 . 1 1 54 54 ARG CB C 13 29.919 0.300 . 1 . . . . 54 ARG CB . 11220 1 599 . 1 1 54 54 ARG CD C 13 40.795 0.300 . 1 . . . . 54 ARG CD . 11220 1 600 . 1 1 54 54 ARG CG C 13 25.076 0.300 . 1 . . . . 54 ARG CG . 11220 1 601 . 1 1 54 54 ARG N N 15 121.603 0.300 . 1 . . . . 54 ARG N . 11220 1 602 . 1 1 54 54 ARG NE N 15 85.306 0.300 . 1 . . . . 54 ARG NE . 11220 1 603 . 1 1 55 55 ILE H H 1 8.308 0.030 . 1 . . . . 55 ILE H . 11220 1 604 . 1 1 55 55 ILE HA H 1 5.302 0.030 . 1 . . . . 55 ILE HA . 11220 1 605 . 1 1 55 55 ILE HB H 1 1.571 0.030 . 1 . . . . 55 ILE HB . 11220 1 606 . 1 1 55 55 ILE HD11 H 1 0.758 0.030 . 1 . . . . 55 ILE HD1 . 11220 1 607 . 1 1 55 55 ILE HD12 H 1 0.758 0.030 . 1 . . . . 55 ILE HD1 . 11220 1 608 . 1 1 55 55 ILE HD13 H 1 0.758 0.030 . 1 . . . . 55 ILE HD1 . 11220 1 609 . 1 1 55 55 ILE HG12 H 1 1.501 0.030 . 2 . . . . 55 ILE HG12 . 11220 1 610 . 1 1 55 55 ILE HG13 H 1 0.880 0.030 . 2 . . . . 55 ILE HG13 . 11220 1 611 . 1 1 55 55 ILE HG21 H 1 0.816 0.030 . 1 . . . . 55 ILE HG2 . 11220 1 612 . 1 1 55 55 ILE HG22 H 1 0.816 0.030 . 1 . . . . 55 ILE HG2 . 11220 1 613 . 1 1 55 55 ILE HG23 H 1 0.816 0.030 . 1 . . . . 55 ILE HG2 . 11220 1 614 . 1 1 55 55 ILE C C 13 174.453 0.300 . 1 . . . . 55 ILE C . 11220 1 615 . 1 1 55 55 ILE CA C 13 56.964 0.300 . 1 . . . . 55 ILE CA . 11220 1 616 . 1 1 55 55 ILE CB C 13 38.107 0.300 . 1 . . . . 55 ILE CB . 11220 1 617 . 1 1 55 55 ILE CD1 C 13 11.157 0.300 . 1 . . . . 55 ILE CD1 . 11220 1 618 . 1 1 55 55 ILE CG1 C 13 25.655 0.300 . 1 . . . . 55 ILE CG1 . 11220 1 619 . 1 1 55 55 ILE CG2 C 13 15.277 0.300 . 1 . . . . 55 ILE CG2 . 11220 1 620 . 1 1 55 55 ILE N N 15 121.769 0.300 . 1 . . . . 55 ILE N . 11220 1 621 . 1 1 56 56 GLY H H 1 8.940 0.030 . 1 . . . . 56 GLY H . 11220 1 622 . 1 1 56 56 GLY HA2 H 1 3.975 0.030 . 2 . . . . 56 GLY HA2 . 11220 1 623 . 1 1 56 56 GLY HA3 H 1 4.533 0.030 . 2 . . . . 56 GLY HA3 . 11220 1 624 . 1 1 56 56 GLY C C 13 169.357 0.300 . 1 . . . . 56 GLY C . 11220 1 625 . 1 1 56 56 GLY CA C 13 43.175 0.300 . 1 . . . . 56 GLY CA . 11220 1 626 . 1 1 56 56 GLY N N 15 113.378 0.300 . 1 . . . . 56 GLY N . 11220 1 627 . 1 1 57 57 VAL H H 1 8.455 0.030 . 1 . . . . 57 VAL H . 11220 1 628 . 1 1 57 57 VAL HA H 1 6.040 0.030 . 1 . . . . 57 VAL HA . 11220 1 629 . 1 1 57 57 VAL HB H 1 2.180 0.030 . 1 . . . . 57 VAL HB . 11220 1 630 . 1 1 57 57 VAL HG11 H 1 0.889 0.030 . 1 . . . . 57 VAL HG1 . 11220 1 631 . 1 1 57 57 VAL HG12 H 1 0.889 0.030 . 1 . . . . 57 VAL HG1 . 11220 1 632 . 1 1 57 57 VAL HG13 H 1 0.889 0.030 . 1 . . . . 57 VAL HG1 . 11220 1 633 . 1 1 57 57 VAL HG21 H 1 0.799 0.030 . 1 . . . . 57 VAL HG2 . 11220 1 634 . 1 1 57 57 VAL HG22 H 1 0.799 0.030 . 1 . . . . 57 VAL HG2 . 11220 1 635 . 1 1 57 57 VAL HG23 H 1 0.799 0.030 . 1 . . . . 57 VAL HG2 . 11220 1 636 . 1 1 57 57 VAL C C 13 174.473 0.300 . 1 . . . . 57 VAL C . 11220 1 637 . 1 1 57 57 VAL CA C 13 56.860 0.300 . 1 . . . . 57 VAL CA . 11220 1 638 . 1 1 57 57 VAL CB C 13 32.198 0.300 . 1 . . . . 57 VAL CB . 11220 1 639 . 1 1 57 57 VAL CG1 C 13 18.641 0.300 . 2 . . . . 57 VAL CG1 . 11220 1 640 . 1 1 57 57 VAL CG2 C 13 16.109 0.300 . 2 . . . . 57 VAL CG2 . 11220 1 641 . 1 1 57 57 VAL N N 15 111.653 0.300 . 1 . . . . 57 VAL N . 11220 1 642 . 1 1 58 58 PHE H H 1 8.401 0.030 . 1 . . . . 58 PHE H . 11220 1 643 . 1 1 58 58 PHE HA H 1 4.819 0.030 . 1 . . . . 58 PHE HA . 11220 1 644 . 1 1 58 58 PHE HB2 H 1 3.344 0.030 . 2 . . . . 58 PHE HB2 . 11220 1 645 . 1 1 58 58 PHE HB3 H 1 2.504 0.030 . 2 . . . . 58 PHE HB3 . 11220 1 646 . 1 1 58 58 PHE HD1 H 1 6.869 0.030 . 1 . . . . 58 PHE HD1 . 11220 1 647 . 1 1 58 58 PHE HD2 H 1 6.869 0.030 . 1 . . . . 58 PHE HD2 . 11220 1 648 . 1 1 58 58 PHE HE1 H 1 6.777 0.030 . 1 . . . . 58 PHE HE1 . 11220 1 649 . 1 1 58 58 PHE HE2 H 1 6.777 0.030 . 1 . . . . 58 PHE HE2 . 11220 1 650 . 1 1 58 58 PHE HZ H 1 6.919 0.030 . 1 . . . . 58 PHE HZ . 11220 1 651 . 1 1 58 58 PHE C C 13 168.140 0.300 . 1 . . . . 58 PHE C . 11220 1 652 . 1 1 58 58 PHE CA C 13 52.925 0.300 . 1 . . . . 58 PHE CA . 11220 1 653 . 1 1 58 58 PHE CB C 13 35.891 0.300 . 1 . . . . 58 PHE CB . 11220 1 654 . 1 1 58 58 PHE CD1 C 13 131.140 0.300 . 1 . . . . 58 PHE CD1 . 11220 1 655 . 1 1 58 58 PHE CD2 C 13 131.140 0.300 . 1 . . . . 58 PHE CD2 . 11220 1 656 . 1 1 58 58 PHE CE1 C 13 127.081 0.300 . 1 . . . . 58 PHE CE1 . 11220 1 657 . 1 1 58 58 PHE CE2 C 13 127.081 0.300 . 1 . . . . 58 PHE CE2 . 11220 1 658 . 1 1 58 58 PHE CZ C 13 125.182 0.300 . 1 . . . . 58 PHE CZ . 11220 1 659 . 1 1 58 58 PHE N N 15 115.292 0.300 . 1 . . . . 58 PHE N . 11220 1 660 . 1 1 59 59 PRO HA H 1 3.597 0.030 . 1 . . . . 59 PRO HA . 11220 1 661 . 1 1 59 59 PRO HB2 H 1 1.470 0.030 . 2 . . . . 59 PRO HB2 . 11220 1 662 . 1 1 59 59 PRO HB3 H 1 1.748 0.030 . 2 . . . . 59 PRO HB3 . 11220 1 663 . 1 1 59 59 PRO HD2 H 1 2.393 0.030 . 2 . . . . 59 PRO HD2 . 11220 1 664 . 1 1 59 59 PRO HD3 H 1 2.977 0.030 . 2 . . . . 59 PRO HD3 . 11220 1 665 . 1 1 59 59 PRO HG2 H 1 1.556 0.030 . 2 . . . . 59 PRO HG2 . 11220 1 666 . 1 1 59 59 PRO HG3 H 1 1.317 0.030 . 2 . . . . 59 PRO HG3 . 11220 1 667 . 1 1 59 59 PRO C C 13 174.872 0.300 . 1 . . . . 59 PRO C . 11220 1 668 . 1 1 59 59 PRO CA C 13 59.732 0.300 . 1 . . . . 59 PRO CA . 11220 1 669 . 1 1 59 59 PRO CB C 13 28.922 0.300 . 1 . . . . 59 PRO CB . 11220 1 670 . 1 1 59 59 PRO CD C 13 47.532 0.300 . 1 . . . . 59 PRO CD . 11220 1 671 . 1 1 59 59 PRO CG C 13 24.931 0.300 . 1 . . . . 59 PRO CG . 11220 1 672 . 1 1 60 60 SER H H 1 7.969 0.030 . 1 . . . . 60 SER H . 11220 1 673 . 1 1 60 60 SER HA H 1 2.930 0.030 . 1 . . . . 60 SER HA . 11220 1 674 . 1 1 60 60 SER HB2 H 1 1.366 0.030 . 2 . . . . 60 SER HB2 . 11220 1 675 . 1 1 60 60 SER HB3 H 1 1.498 0.030 . 2 . . . . 60 SER HB3 . 11220 1 676 . 1 1 60 60 SER C C 13 173.235 0.300 . 1 . . . . 60 SER C . 11220 1 677 . 1 1 60 60 SER CA C 13 58.148 0.300 . 1 . . . . 60 SER CA . 11220 1 678 . 1 1 60 60 SER CB C 13 57.801 0.300 . 1 . . . . 60 SER CB . 11220 1 679 . 1 1 60 60 SER N N 15 122.837 0.300 . 1 . . . . 60 SER N . 11220 1 680 . 1 1 61 61 VAL H H 1 7.238 0.030 . 1 . . . . 61 VAL H . 11220 1 681 . 1 1 61 61 VAL HA H 1 3.937 0.030 . 1 . . . . 61 VAL HA . 11220 1 682 . 1 1 61 61 VAL HB H 1 2.092 0.030 . 1 . . . . 61 VAL HB . 11220 1 683 . 1 1 61 61 VAL HG11 H 1 0.776 0.030 . 1 . . . . 61 VAL HG1 . 11220 1 684 . 1 1 61 61 VAL HG12 H 1 0.776 0.030 . 1 . . . . 61 VAL HG1 . 11220 1 685 . 1 1 61 61 VAL HG13 H 1 0.776 0.030 . 1 . . . . 61 VAL HG1 . 11220 1 686 . 1 1 61 61 VAL HG21 H 1 0.739 0.030 . 1 . . . . 61 VAL HG2 . 11220 1 687 . 1 1 61 61 VAL HG22 H 1 0.739 0.030 . 1 . . . . 61 VAL HG2 . 11220 1 688 . 1 1 61 61 VAL HG23 H 1 0.739 0.030 . 1 . . . . 61 VAL HG2 . 11220 1 689 . 1 1 61 61 VAL C C 13 173.566 0.300 . 1 . . . . 61 VAL C . 11220 1 690 . 1 1 61 61 VAL CA C 13 60.214 0.300 . 1 . . . . 61 VAL CA . 11220 1 691 . 1 1 61 61 VAL CB C 13 28.906 0.300 . 1 . . . . 61 VAL CB . 11220 1 692 . 1 1 61 61 VAL CG1 C 13 17.190 0.300 . 2 . . . . 61 VAL CG1 . 11220 1 693 . 1 1 61 61 VAL CG2 C 13 17.655 0.300 . 2 . . . . 61 VAL CG2 . 11220 1 694 . 1 1 61 61 VAL N N 15 115.704 0.300 . 1 . . . . 61 VAL N . 11220 1 695 . 1 1 62 62 LEU H H 1 7.099 0.030 . 1 . . . . 62 LEU H . 11220 1 696 . 1 1 62 62 LEU HA H 1 4.427 0.030 . 1 . . . . 62 LEU HA . 11220 1 697 . 1 1 62 62 LEU HB2 H 1 1.894 0.030 . 2 . . . . 62 LEU HB2 . 11220 1 698 . 1 1 62 62 LEU HB3 H 1 1.787 0.030 . 2 . . . . 62 LEU HB3 . 11220 1 699 . 1 1 62 62 LEU HD11 H 1 0.679 0.030 . 1 . . . . 62 LEU HD1 . 11220 1 700 . 1 1 62 62 LEU HD12 H 1 0.679 0.030 . 1 . . . . 62 LEU HD1 . 11220 1 701 . 1 1 62 62 LEU HD13 H 1 0.679 0.030 . 1 . . . . 62 LEU HD1 . 11220 1 702 . 1 1 62 62 LEU HD21 H 1 0.574 0.030 . 1 . . . . 62 LEU HD2 . 11220 1 703 . 1 1 62 62 LEU HD22 H 1 0.574 0.030 . 1 . . . . 62 LEU HD2 . 11220 1 704 . 1 1 62 62 LEU HD23 H 1 0.574 0.030 . 1 . . . . 62 LEU HD2 . 11220 1 705 . 1 1 62 62 LEU HG H 1 1.409 0.030 . 1 . . . . 62 LEU HG . 11220 1 706 . 1 1 62 62 LEU C C 13 173.081 0.300 . 1 . . . . 62 LEU C . 11220 1 707 . 1 1 62 62 LEU CA C 13 52.075 0.300 . 1 . . . . 62 LEU CA . 11220 1 708 . 1 1 62 62 LEU CB C 13 39.853 0.300 . 1 . . . . 62 LEU CB . 11220 1 709 . 1 1 62 62 LEU CD1 C 13 24.747 0.300 . 2 . . . . 62 LEU CD1 . 11220 1 710 . 1 1 62 62 LEU CD2 C 13 19.416 0.300 . 2 . . . . 62 LEU CD2 . 11220 1 711 . 1 1 62 62 LEU CG C 13 24.773 0.300 . 1 . . . . 62 LEU CG . 11220 1 712 . 1 1 62 62 LEU N N 15 117.640 0.300 . 1 . . . . 62 LEU N . 11220 1 713 . 1 1 63 63 VAL H H 1 7.317 0.030 . 1 . . . . 63 VAL H . 11220 1 714 . 1 1 63 63 VAL HA H 1 5.201 0.030 . 1 . . . . 63 VAL HA . 11220 1 715 . 1 1 63 63 VAL HB H 1 1.703 0.030 . 1 . . . . 63 VAL HB . 11220 1 716 . 1 1 63 63 VAL HG11 H 1 0.326 0.030 . 1 . . . . 63 VAL HG1 . 11220 1 717 . 1 1 63 63 VAL HG12 H 1 0.326 0.030 . 1 . . . . 63 VAL HG1 . 11220 1 718 . 1 1 63 63 VAL HG13 H 1 0.326 0.030 . 1 . . . . 63 VAL HG1 . 11220 1 719 . 1 1 63 63 VAL HG21 H 1 0.918 0.030 . 1 . . . . 63 VAL HG2 . 11220 1 720 . 1 1 63 63 VAL HG22 H 1 0.918 0.030 . 1 . . . . 63 VAL HG2 . 11220 1 721 . 1 1 63 63 VAL HG23 H 1 0.918 0.030 . 1 . . . . 63 VAL HG2 . 11220 1 722 . 1 1 63 63 VAL C C 13 171.049 0.300 . 1 . . . . 63 VAL C . 11220 1 723 . 1 1 63 63 VAL CA C 13 55.556 0.300 . 1 . . . . 63 VAL CA . 11220 1 724 . 1 1 63 63 VAL CB C 13 33.119 0.300 . 1 . . . . 63 VAL CB . 11220 1 725 . 1 1 63 63 VAL CG1 C 13 18.434 0.300 . 2 . . . . 63 VAL CG1 . 11220 1 726 . 1 1 63 63 VAL CG2 C 13 16.142 0.300 . 2 . . . . 63 VAL CG2 . 11220 1 727 . 1 1 63 63 VAL N N 15 107.866 0.300 . 1 . . . . 63 VAL N . 11220 1 728 . 1 1 64 64 GLU H H 1 8.673 0.030 . 1 . . . . 64 GLU H . 11220 1 729 . 1 1 64 64 GLU HA H 1 4.772 0.030 . 1 . . . . 64 GLU HA . 11220 1 730 . 1 1 64 64 GLU HB2 H 1 1.917 0.030 . 2 . . . . 64 GLU HB2 . 11220 1 731 . 1 1 64 64 GLU HB3 H 1 1.845 0.030 . 2 . . . . 64 GLU HB3 . 11220 1 732 . 1 1 64 64 GLU HG2 H 1 2.143 0.030 . 1 . . . . 64 GLU HG2 . 11220 1 733 . 1 1 64 64 GLU HG3 H 1 2.143 0.030 . 1 . . . . 64 GLU HG3 . 11220 1 734 . 1 1 64 64 GLU C C 13 172.862 0.300 . 1 . . . . 64 GLU C . 11220 1 735 . 1 1 64 64 GLU CA C 13 51.236 0.300 . 1 . . . . 64 GLU CA . 11220 1 736 . 1 1 64 64 GLU CB C 13 31.331 0.300 . 1 . . . . 64 GLU CB . 11220 1 737 . 1 1 64 64 GLU CG C 13 33.261 0.300 . 1 . . . . 64 GLU CG . 11220 1 738 . 1 1 64 64 GLU N N 15 118.934 0.300 . 1 . . . . 64 GLU N . 11220 1 739 . 1 1 65 65 GLU H H 1 8.964 0.030 . 1 . . . . 65 GLU H . 11220 1 740 . 1 1 65 65 GLU HA H 1 4.260 0.030 . 1 . . . . 65 GLU HA . 11220 1 741 . 1 1 65 65 GLU HB2 H 1 1.999 0.030 . 1 . . . . 65 GLU HB2 . 11220 1 742 . 1 1 65 65 GLU HB3 H 1 1.999 0.030 . 1 . . . . 65 GLU HB3 . 11220 1 743 . 1 1 65 65 GLU HG2 H 1 2.349 0.030 . 2 . . . . 65 GLU HG2 . 11220 1 744 . 1 1 65 65 GLU HG3 H 1 2.194 0.030 . 2 . . . . 65 GLU HG3 . 11220 1 745 . 1 1 65 65 GLU C C 13 173.542 0.300 . 1 . . . . 65 GLU C . 11220 1 746 . 1 1 65 65 GLU CA C 13 55.460 0.300 . 1 . . . . 65 GLU CA . 11220 1 747 . 1 1 65 65 GLU CB C 13 27.833 0.300 . 1 . . . . 65 GLU CB . 11220 1 748 . 1 1 65 65 GLU CG C 13 34.393 0.300 . 1 . . . . 65 GLU CG . 11220 1 749 . 1 1 65 65 GLU N N 15 124.951 0.300 . 1 . . . . 65 GLU N . 11220 1 750 . 1 1 66 66 LEU H H 1 8.249 0.030 . 1 . . . . 66 LEU H . 11220 1 751 . 1 1 66 66 LEU HA H 1 4.460 0.030 . 1 . . . . 66 LEU HA . 11220 1 752 . 1 1 66 66 LEU HB2 H 1 1.522 0.030 . 1 . . . . 66 LEU HB2 . 11220 1 753 . 1 1 66 66 LEU HB3 H 1 1.522 0.030 . 1 . . . . 66 LEU HB3 . 11220 1 754 . 1 1 66 66 LEU HD11 H 1 0.750 0.030 . 1 . . . . 66 LEU HD1 . 11220 1 755 . 1 1 66 66 LEU HD12 H 1 0.750 0.030 . 1 . . . . 66 LEU HD1 . 11220 1 756 . 1 1 66 66 LEU HD13 H 1 0.750 0.030 . 1 . . . . 66 LEU HD1 . 11220 1 757 . 1 1 66 66 LEU HD21 H 1 0.750 0.030 . 1 . . . . 66 LEU HD2 . 11220 1 758 . 1 1 66 66 LEU HD22 H 1 0.750 0.030 . 1 . . . . 66 LEU HD2 . 11220 1 759 . 1 1 66 66 LEU HD23 H 1 0.750 0.030 . 1 . . . . 66 LEU HD2 . 11220 1 760 . 1 1 66 66 LEU HG H 1 1.517 0.030 . 1 . . . . 66 LEU HG . 11220 1 761 . 1 1 66 66 LEU C C 13 174.652 0.300 . 1 . . . . 66 LEU C . 11220 1 762 . 1 1 66 66 LEU CA C 13 51.936 0.300 . 1 . . . . 66 LEU CA . 11220 1 763 . 1 1 66 66 LEU CB C 13 40.143 0.300 . 1 . . . . 66 LEU CB . 11220 1 764 . 1 1 66 66 LEU CD1 C 13 22.851 0.300 . 2 . . . . 66 LEU CD1 . 11220 1 765 . 1 1 66 66 LEU CD2 C 13 21.091 0.300 . 2 . . . . 66 LEU CD2 . 11220 1 766 . 1 1 66 66 LEU CG C 13 24.555 0.300 . 1 . . . . 66 LEU CG . 11220 1 767 . 1 1 66 66 LEU N N 15 125.348 0.300 . 1 . . . . 66 LEU N . 11220 1 768 . 1 1 67 67 SER H H 1 8.530 0.030 . 1 . . . . 67 SER H . 11220 1 769 . 1 1 67 67 SER HA H 1 4.451 0.030 . 1 . . . . 67 SER HA . 11220 1 770 . 1 1 67 67 SER HB2 H 1 3.841 0.030 . 1 . . . . 67 SER HB2 . 11220 1 771 . 1 1 67 67 SER HB3 H 1 3.841 0.030 . 1 . . . . 67 SER HB3 . 11220 1 772 . 1 1 67 67 SER C C 13 171.996 0.300 . 1 . . . . 67 SER C . 11220 1 773 . 1 1 67 67 SER CA C 13 55.930 0.300 . 1 . . . . 67 SER CA . 11220 1 774 . 1 1 67 67 SER CB C 13 61.068 0.300 . 1 . . . . 67 SER CB . 11220 1 775 . 1 1 67 67 SER N N 15 117.842 0.300 . 1 . . . . 67 SER N . 11220 1 776 . 1 1 68 68 SER H H 1 8.257 0.030 . 1 . . . . 68 SER H . 11220 1 777 . 1 1 68 68 SER HA H 1 4.511 0.030 . 1 . . . . 68 SER HA . 11220 1 778 . 1 1 68 68 SER HB2 H 1 3.814 0.030 . 1 . . . . 68 SER HB2 . 11220 1 779 . 1 1 68 68 SER HB3 H 1 3.814 0.030 . 1 . . . . 68 SER HB3 . 11220 1 780 . 1 1 68 68 SER C C 13 171.720 0.300 . 1 . . . . 68 SER C . 11220 1 781 . 1 1 68 68 SER CA C 13 55.460 0.300 . 1 . . . . 68 SER CA . 11220 1 782 . 1 1 68 68 SER CB C 13 61.647 0.300 . 1 . . . . 68 SER CB . 11220 1 783 . 1 1 68 68 SER N N 15 117.274 0.300 . 1 . . . . 68 SER N . 11220 1 784 . 1 1 69 69 GLY H H 1 8.178 0.030 . 1 . . . . 69 GLY H . 11220 1 785 . 1 1 69 69 GLY HA2 H 1 3.984 0.030 . 2 . . . . 69 GLY HA2 . 11220 1 786 . 1 1 69 69 GLY HA3 H 1 3.877 0.030 . 2 . . . . 69 GLY HA3 . 11220 1 787 . 1 1 69 69 GLY C C 13 169.115 0.300 . 1 . . . . 69 GLY C . 11220 1 788 . 1 1 69 69 GLY CA C 13 41.924 0.300 . 1 . . . . 69 GLY CA . 11220 1 789 . 1 1 69 69 GLY N N 15 110.121 0.300 . 1 . . . . 69 GLY N . 11220 1 790 . 1 1 70 70 PRO HA H 1 4.337 0.030 . 1 . . . . 70 PRO HA . 11220 1 791 . 1 1 70 70 PRO HB2 H 1 1.839 0.030 . 2 . . . . 70 PRO HB2 . 11220 1 792 . 1 1 70 70 PRO HB3 H 1 2.120 0.030 . 2 . . . . 70 PRO HB3 . 11220 1 793 . 1 1 70 70 PRO HD2 H 1 3.352 0.030 . 1 . . . . 70 PRO HD2 . 11220 1 794 . 1 1 70 70 PRO HD3 H 1 3.352 0.030 . 1 . . . . 70 PRO HD3 . 11220 1 795 . 1 1 70 70 PRO HG2 H 1 1.833 0.030 . 1 . . . . 70 PRO HG2 . 11220 1 796 . 1 1 70 70 PRO HG3 H 1 1.833 0.030 . 1 . . . . 70 PRO HG3 . 11220 1 797 . 1 1 70 70 PRO C C 13 174.609 0.300 . 1 . . . . 70 PRO C . 11220 1 798 . 1 1 70 70 PRO CA C 13 60.577 0.300 . 1 . . . . 70 PRO CA . 11220 1 799 . 1 1 70 70 PRO CB C 13 29.499 0.300 . 1 . . . . 70 PRO CB . 11220 1 800 . 1 1 70 70 PRO CD C 13 47.034 0.300 . 1 . . . . 70 PRO CD . 11220 1 801 . 1 1 70 70 PRO CG C 13 24.448 0.300 . 1 . . . . 70 PRO CG . 11220 1 802 . 1 1 71 71 SER H H 1 8.371 0.030 . 1 . . . . 71 SER H . 11220 1 803 . 1 1 71 71 SER HA H 1 4.403 0.030 . 1 . . . . 71 SER HA . 11220 1 804 . 1 1 71 71 SER HB2 H 1 3.800 0.030 . 1 . . . . 71 SER HB2 . 11220 1 805 . 1 1 71 71 SER HB3 H 1 3.800 0.030 . 1 . . . . 71 SER HB3 . 11220 1 806 . 1 1 71 71 SER C C 13 171.997 0.300 . 1 . . . . 71 SER C . 11220 1 807 . 1 1 71 71 SER CA C 13 55.653 0.300 . 1 . . . . 71 SER CA . 11220 1 808 . 1 1 71 71 SER CB C 13 61.141 0.300 . 1 . . . . 71 SER CB . 11220 1 809 . 1 1 71 71 SER N N 15 116.220 0.300 . 1 . . . . 71 SER N . 11220 1 810 . 1 1 72 72 SER H H 1 8.211 0.030 . 1 . . . . 72 SER H . 11220 1 811 . 1 1 72 72 SER HA H 1 4.405 0.030 . 1 . . . . 72 SER HA . 11220 1 812 . 1 1 72 72 SER HB2 H 1 3.796 0.030 . 1 . . . . 72 SER HB2 . 11220 1 813 . 1 1 72 72 SER HB3 H 1 3.796 0.030 . 1 . . . . 72 SER HB3 . 11220 1 814 . 1 1 72 72 SER C C 13 171.284 0.300 . 1 . . . . 72 SER C . 11220 1 815 . 1 1 72 72 SER CA C 13 55.653 0.300 . 1 . . . . 72 SER CA . 11220 1 816 . 1 1 72 72 SER CB C 13 61.430 0.300 . 1 . . . . 72 SER CB . 11220 1 817 . 1 1 72 72 SER N N 15 117.702 0.300 . 1 . . . . 72 SER N . 11220 1 818 . 1 1 73 73 GLY H H 1 7.938 0.030 . 1 . . . . 73 GLY H . 11220 1 819 . 1 1 73 73 GLY HA2 H 1 3.684 0.030 . 1 . . . . 73 GLY HA2 . 11220 1 820 . 1 1 73 73 GLY HA3 H 1 3.684 0.030 . 1 . . . . 73 GLY HA3 . 11220 1 821 . 1 1 73 73 GLY C C 13 176.316 0.300 . 1 . . . . 73 GLY C . 11220 1 822 . 1 1 73 73 GLY CA C 13 43.333 0.300 . 1 . . . . 73 GLY CA . 11220 1 823 . 1 1 73 73 GLY N N 15 116.772 0.300 . 1 . . . . 73 GLY N . 11220 1 stop_ save_