data_11284 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11284 _Entry.Title ; Solution structure of the SH3 domain of human hypothetical protein FLJ21522 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2011-08-18 _Entry.Original_release_date 2011-08-18 _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 . . . 11284 2 K. Saito . . . 11284 3 N. Tochio . . . 11284 4 S. Koshiba . . . 11284 5 M. Inoue . . . 11284 6 T. Kigawa . . . 11284 7 S. Yokoyama . . . 11284 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)' . 11284 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11284 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 279 11284 '15N chemical shifts' 60 11284 '1H chemical shifts' 443 11284 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 . . 2011-08-18 2010-08-09 original author . 11284 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WXT 'BMRB Entry Tracking System' 11284 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11284 _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 human hypothetical protein FLJ21522' _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 . . . 11284 1 2 K. Saito . . . 11284 1 3 N. Tochio . . . 11284 1 4 S. Koshiba . . . 11284 1 5 M. Inoue . . . 11284 1 6 T. Kigawa . . . 11284 1 7 S. Yokoyama . . . 11284 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11284 _Assembly.ID 1 _Assembly.Name 'Hypothetical protein FLJ21522' _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 . . . 11284 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 1wxt . . . . . . 11284 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11284 _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 ; GSSGSSGLKMQVLYEFEARN PRELTVVQGEKLEVLDHSKR WWLVKNEAGRSGYIPSNILE PLSGPSSG ; _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 68 _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 2015-11-26 loop_ _Entity_db_link.Ordinal _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 1 no PDB 1WXT . "Solution Structure Of The Sh3 Domain Of Human Hypothetical Protein Flj21522" . . . . . 100.00 68 100.00 100.00 1.17e-39 . . . . 11284 1 2 no GB EAW56414 . "EPS8-like 3, isoform CRA_e [Homo sapiens]" . . . . . 82.35 594 98.21 98.21 1.48e-28 . . . . 11284 1 3 no REF NP_620641 . "epidermal growth factor receptor kinase substrate 8-like protein 3 isoform a [Homo sapiens]" . . . . . 82.35 594 98.21 98.21 1.48e-28 . . . . 11284 1 4 no REF XP_011540429 . "PREDICTED: epidermal growth factor receptor kinase substrate 8-like protein 3 isoform X1 [Homo sapiens]" . . . . . 82.35 683 98.21 98.21 2.32e-28 . . . . 11284 1 5 no REF XP_011540430 . "PREDICTED: epidermal growth factor receptor kinase substrate 8-like protein 3 isoform X2 [Homo sapiens]" . . . . . 82.35 682 98.21 98.21 2.43e-28 . . . . 11284 1 6 no REF XP_011540431 . "PREDICTED: epidermal growth factor receptor kinase substrate 8-like protein 3 isoform X3 [Homo sapiens]" . . . . . 82.35 675 98.21 98.21 2.27e-28 . . . . 11284 1 7 no REF XP_011540432 . "PREDICTED: epidermal growth factor receptor kinase substrate 8-like protein 3 isoform X4 [Homo sapiens]" . . . . . 82.35 656 98.21 98.21 2.28e-28 . . . . 11284 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' . 11284 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 . 11284 1 2 . SER . 11284 1 3 . SER . 11284 1 4 . GLY . 11284 1 5 . SER . 11284 1 6 . SER . 11284 1 7 . GLY . 11284 1 8 . LEU . 11284 1 9 . LYS . 11284 1 10 . MET . 11284 1 11 . GLN . 11284 1 12 . VAL . 11284 1 13 . LEU . 11284 1 14 . TYR . 11284 1 15 . GLU . 11284 1 16 . PHE . 11284 1 17 . GLU . 11284 1 18 . ALA . 11284 1 19 . ARG . 11284 1 20 . ASN . 11284 1 21 . PRO . 11284 1 22 . ARG . 11284 1 23 . GLU . 11284 1 24 . LEU . 11284 1 25 . THR . 11284 1 26 . VAL . 11284 1 27 . VAL . 11284 1 28 . GLN . 11284 1 29 . GLY . 11284 1 30 . GLU . 11284 1 31 . LYS . 11284 1 32 . LEU . 11284 1 33 . GLU . 11284 1 34 . VAL . 11284 1 35 . LEU . 11284 1 36 . ASP . 11284 1 37 . HIS . 11284 1 38 . SER . 11284 1 39 . LYS . 11284 1 40 . ARG . 11284 1 41 . TRP . 11284 1 42 . TRP . 11284 1 43 . LEU . 11284 1 44 . VAL . 11284 1 45 . LYS . 11284 1 46 . ASN . 11284 1 47 . GLU . 11284 1 48 . ALA . 11284 1 49 . GLY . 11284 1 50 . ARG . 11284 1 51 . SER . 11284 1 52 . GLY . 11284 1 53 . TYR . 11284 1 54 . ILE . 11284 1 55 . PRO . 11284 1 56 . SER . 11284 1 57 . ASN . 11284 1 58 . ILE . 11284 1 59 . LEU . 11284 1 60 . GLU . 11284 1 61 . PRO . 11284 1 62 . LEU . 11284 1 63 . SER . 11284 1 64 . GLY . 11284 1 65 . PRO . 11284 1 66 . SER . 11284 1 67 . SER . 11284 1 68 . GLY . 11284 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 11284 1 . SER 2 2 11284 1 . SER 3 3 11284 1 . GLY 4 4 11284 1 . SER 5 5 11284 1 . SER 6 6 11284 1 . GLY 7 7 11284 1 . LEU 8 8 11284 1 . LYS 9 9 11284 1 . MET 10 10 11284 1 . GLN 11 11 11284 1 . VAL 12 12 11284 1 . LEU 13 13 11284 1 . TYR 14 14 11284 1 . GLU 15 15 11284 1 . PHE 16 16 11284 1 . GLU 17 17 11284 1 . ALA 18 18 11284 1 . ARG 19 19 11284 1 . ASN 20 20 11284 1 . PRO 21 21 11284 1 . ARG 22 22 11284 1 . GLU 23 23 11284 1 . LEU 24 24 11284 1 . THR 25 25 11284 1 . VAL 26 26 11284 1 . VAL 27 27 11284 1 . GLN 28 28 11284 1 . GLY 29 29 11284 1 . GLU 30 30 11284 1 . LYS 31 31 11284 1 . LEU 32 32 11284 1 . GLU 33 33 11284 1 . VAL 34 34 11284 1 . LEU 35 35 11284 1 . ASP 36 36 11284 1 . HIS 37 37 11284 1 . SER 38 38 11284 1 . LYS 39 39 11284 1 . ARG 40 40 11284 1 . TRP 41 41 11284 1 . TRP 42 42 11284 1 . LEU 43 43 11284 1 . VAL 44 44 11284 1 . LYS 45 45 11284 1 . ASN 46 46 11284 1 . GLU 47 47 11284 1 . ALA 48 48 11284 1 . GLY 49 49 11284 1 . ARG 50 50 11284 1 . SER 51 51 11284 1 . GLY 52 52 11284 1 . TYR 53 53 11284 1 . ILE 54 54 11284 1 . PRO 55 55 11284 1 . SER 56 56 11284 1 . ASN 57 57 11284 1 . ILE 58 58 11284 1 . LEU 59 59 11284 1 . GLU 60 60 11284 1 . PRO 61 61 11284 1 . LEU 62 62 11284 1 . SER 63 63 11284 1 . GLY 64 64 11284 1 . PRO 65 65 11284 1 . SER 66 66 11284 1 . SER 67 67 11284 1 . GLY 68 68 11284 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 11284 _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 . . . . . . . . . . . . . . . . . . . . . 11284 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 11284 _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 . . . . . . . . . . . . . . . . P040517-02 . . . . . . 11284 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11284 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.33mM SH3 domain U-15N, {13C;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 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 1.33 . . mM . . . . 11284 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11284 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11284 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11284 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11284 1 6 H2O . . . . . . solvent 90 . . % . . . . 11284 1 7 D2O . . . . . . solvent 10 . . % . . . . 11284 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 11284 _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 11284 1 pH 7.0 0.05 pH 11284 1 pressure 1 0.001 atm 11284 1 temperature 298 0.1 K 11284 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11284 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11284 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11284 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11284 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11284 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11284 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11284 _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.' . . 11284 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11284 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11284 _Software.ID 4 _Software.Name Kujira _Software.Version 0.921 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11284 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11284 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11284 _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.' . . 11284 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11284 5 'structure solution' 11284 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 11284 _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 11284 _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 . . . 11284 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 11284 _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 . . . . . . . . . . . . . . . . 11284 1 2 '4D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11284 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 11284 _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 . . . . . . . . . 11284 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11284 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11284 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 11284 _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 11284 1 2 '4D 13C-separated NOESY' 1 $sample_1 isotropic 11284 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 . . 11284 1 2 $NMRPipe . . 11284 1 3 $NMRview . . 11284 1 4 $Kujira . . 11284 1 5 $CYANA . . 11284 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 4.516 0.030 . 1 . . . . 6 SER HA . 11284 1 2 . 1 1 6 6 SER HB2 H 1 3.887 0.030 . 2 . . . . 6 SER HB2 . 11284 1 3 . 1 1 6 6 SER HB3 H 1 3.927 0.030 . 2 . . . . 6 SER HB3 . 11284 1 4 . 1 1 6 6 SER C C 13 174.974 0.300 . 1 . . . . 6 SER C . 11284 1 5 . 1 1 6 6 SER CA C 13 58.629 0.300 . 1 . . . . 6 SER CA . 11284 1 6 . 1 1 6 6 SER CB C 13 64.182 0.300 . 1 . . . . 6 SER CB . 11284 1 7 . 1 1 7 7 GLY H H 1 8.559 0.030 . 1 . . . . 7 GLY H . 11284 1 8 . 1 1 7 7 GLY HA2 H 1 3.996 0.030 . 1 . . . . 7 GLY HA2 . 11284 1 9 . 1 1 7 7 GLY HA3 H 1 3.996 0.030 . 1 . . . . 7 GLY HA3 . 11284 1 10 . 1 1 7 7 GLY C C 13 173.420 0.300 . 1 . . . . 7 GLY C . 11284 1 11 . 1 1 7 7 GLY CA C 13 45.191 0.300 . 1 . . . . 7 GLY CA . 11284 1 12 . 1 1 7 7 GLY N N 15 111.008 0.300 . 1 . . . . 7 GLY N . 11284 1 13 . 1 1 8 8 LEU H H 1 8.206 0.030 . 1 . . . . 8 LEU H . 11284 1 14 . 1 1 8 8 LEU HA H 1 4.368 0.030 . 1 . . . . 8 LEU HA . 11284 1 15 . 1 1 8 8 LEU HB2 H 1 1.672 0.030 . 2 . . . . 8 LEU HB2 . 11284 1 16 . 1 1 8 8 LEU HB3 H 1 1.464 0.030 . 2 . . . . 8 LEU HB3 . 11284 1 17 . 1 1 8 8 LEU HD11 H 1 0.841 0.030 . 1 . . . . 8 LEU HD1 . 11284 1 18 . 1 1 8 8 LEU HD12 H 1 0.841 0.030 . 1 . . . . 8 LEU HD1 . 11284 1 19 . 1 1 8 8 LEU HD13 H 1 0.841 0.030 . 1 . . . . 8 LEU HD1 . 11284 1 20 . 1 1 8 8 LEU HD21 H 1 0.699 0.030 . 1 . . . . 8 LEU HD2 . 11284 1 21 . 1 1 8 8 LEU HD22 H 1 0.699 0.030 . 1 . . . . 8 LEU HD2 . 11284 1 22 . 1 1 8 8 LEU HD23 H 1 0.699 0.030 . 1 . . . . 8 LEU HD2 . 11284 1 23 . 1 1 8 8 LEU HG H 1 1.373 0.030 . 1 . . . . 8 LEU HG . 11284 1 24 . 1 1 8 8 LEU C C 13 175.363 0.300 . 1 . . . . 8 LEU C . 11284 1 25 . 1 1 8 8 LEU CA C 13 55.207 0.300 . 1 . . . . 8 LEU CA . 11284 1 26 . 1 1 8 8 LEU CB C 13 42.876 0.300 . 1 . . . . 8 LEU CB . 11284 1 27 . 1 1 8 8 LEU CD1 C 13 23.677 0.300 . 2 . . . . 8 LEU CD1 . 11284 1 28 . 1 1 8 8 LEU CD2 C 13 24.620 0.300 . 2 . . . . 8 LEU CD2 . 11284 1 29 . 1 1 8 8 LEU CG C 13 27.265 0.300 . 1 . . . . 8 LEU CG . 11284 1 30 . 1 1 8 8 LEU N N 15 122.933 0.300 . 1 . . . . 8 LEU N . 11284 1 31 . 1 1 9 9 LYS H H 1 8.379 0.030 . 1 . . . . 9 LYS H . 11284 1 32 . 1 1 9 9 LYS HA H 1 5.373 0.030 . 1 . . . . 9 LYS HA . 11284 1 33 . 1 1 9 9 LYS HB2 H 1 1.766 0.030 . 2 . . . . 9 LYS HB2 . 11284 1 34 . 1 1 9 9 LYS HB3 H 1 1.671 0.030 . 2 . . . . 9 LYS HB3 . 11284 1 35 . 1 1 9 9 LYS HD2 H 1 1.601 0.030 . 1 . . . . 9 LYS HD2 . 11284 1 36 . 1 1 9 9 LYS HD3 H 1 1.601 0.030 . 1 . . . . 9 LYS HD3 . 11284 1 37 . 1 1 9 9 LYS HE2 H 1 2.911 0.030 . 1 . . . . 9 LYS HE2 . 11284 1 38 . 1 1 9 9 LYS HE3 H 1 2.911 0.030 . 1 . . . . 9 LYS HE3 . 11284 1 39 . 1 1 9 9 LYS HG2 H 1 1.500 0.030 . 2 . . . . 9 LYS HG2 . 11284 1 40 . 1 1 9 9 LYS HG3 H 1 1.326 0.030 . 2 . . . . 9 LYS HG3 . 11284 1 41 . 1 1 9 9 LYS C C 13 175.873 0.300 . 1 . . . . 9 LYS C . 11284 1 42 . 1 1 9 9 LYS CA C 13 54.794 0.300 . 1 . . . . 9 LYS CA . 11284 1 43 . 1 1 9 9 LYS CB C 13 34.949 0.300 . 1 . . . . 9 LYS CB . 11284 1 44 . 1 1 9 9 LYS CD C 13 29.190 0.300 . 1 . . . . 9 LYS CD . 11284 1 45 . 1 1 9 9 LYS CE C 13 42.131 0.300 . 1 . . . . 9 LYS CE . 11284 1 46 . 1 1 9 9 LYS CG C 13 25.301 0.300 . 1 . . . . 9 LYS CG . 11284 1 47 . 1 1 9 9 LYS N N 15 125.099 0.300 . 1 . . . . 9 LYS N . 11284 1 48 . 1 1 10 10 MET H H 1 8.763 0.030 . 1 . . . . 10 MET H . 11284 1 49 . 1 1 10 10 MET HA H 1 4.852 0.030 . 1 . . . . 10 MET HA . 11284 1 50 . 1 1 10 10 MET HB2 H 1 2.255 0.030 . 2 . . . . 10 MET HB2 . 11284 1 51 . 1 1 10 10 MET HB3 H 1 1.512 0.030 . 2 . . . . 10 MET HB3 . 11284 1 52 . 1 1 10 10 MET HE1 H 1 1.999 0.030 . 1 . . . . 10 MET HE . 11284 1 53 . 1 1 10 10 MET HE2 H 1 1.999 0.030 . 1 . . . . 10 MET HE . 11284 1 54 . 1 1 10 10 MET HE3 H 1 1.999 0.030 . 1 . . . . 10 MET HE . 11284 1 55 . 1 1 10 10 MET HG2 H 1 2.467 0.030 . 1 . . . . 10 MET HG2 . 11284 1 56 . 1 1 10 10 MET HG3 H 1 2.467 0.030 . 1 . . . . 10 MET HG3 . 11284 1 57 . 1 1 10 10 MET C C 13 173.323 0.300 . 1 . . . . 10 MET C . 11284 1 58 . 1 1 10 10 MET CA C 13 54.210 0.300 . 1 . . . . 10 MET CA . 11284 1 59 . 1 1 10 10 MET CB C 13 39.296 0.300 . 1 . . . . 10 MET CB . 11284 1 60 . 1 1 10 10 MET CE C 13 18.016 0.300 . 1 . . . . 10 MET CE . 11284 1 61 . 1 1 10 10 MET CG C 13 33.857 0.300 . 1 . . . . 10 MET CG . 11284 1 62 . 1 1 10 10 MET N N 15 119.585 0.300 . 1 . . . . 10 MET N . 11284 1 63 . 1 1 11 11 GLN H H 1 9.168 0.030 . 1 . . . . 11 GLN H . 11284 1 64 . 1 1 11 11 GLN HA H 1 5.556 0.030 . 1 . . . . 11 GLN HA . 11284 1 65 . 1 1 11 11 GLN HB2 H 1 1.908 0.030 . 2 . . . . 11 GLN HB2 . 11284 1 66 . 1 1 11 11 GLN HB3 H 1 1.759 0.030 . 2 . . . . 11 GLN HB3 . 11284 1 67 . 1 1 11 11 GLN HE21 H 1 7.812 0.030 . 2 . . . . 11 GLN HE21 . 11284 1 68 . 1 1 11 11 GLN HE22 H 1 6.798 0.030 . 2 . . . . 11 GLN HE22 . 11284 1 69 . 1 1 11 11 GLN HG2 H 1 2.193 0.030 . 2 . . . . 11 GLN HG2 . 11284 1 70 . 1 1 11 11 GLN HG3 H 1 2.043 0.030 . 2 . . . . 11 GLN HG3 . 11284 1 71 . 1 1 11 11 GLN C C 13 175.096 0.300 . 1 . . . . 11 GLN C . 11284 1 72 . 1 1 11 11 GLN CA C 13 53.472 0.300 . 1 . . . . 11 GLN CA . 11284 1 73 . 1 1 11 11 GLN CB C 13 32.385 0.300 . 1 . . . . 11 GLN CB . 11284 1 74 . 1 1 11 11 GLN CG C 13 33.644 0.300 . 1 . . . . 11 GLN CG . 11284 1 75 . 1 1 11 11 GLN N N 15 118.153 0.300 . 1 . . . . 11 GLN N . 11284 1 76 . 1 1 11 11 GLN NE2 N 15 112.503 0.300 . 1 . . . . 11 GLN NE2 . 11284 1 77 . 1 1 12 12 VAL H H 1 8.476 0.030 . 1 . . . . 12 VAL H . 11284 1 78 . 1 1 12 12 VAL HA H 1 3.902 0.030 . 1 . . . . 12 VAL HA . 11284 1 79 . 1 1 12 12 VAL HB H 1 2.255 0.030 . 1 . . . . 12 VAL HB . 11284 1 80 . 1 1 12 12 VAL HG11 H 1 0.693 0.030 . 1 . . . . 12 VAL HG1 . 11284 1 81 . 1 1 12 12 VAL HG12 H 1 0.693 0.030 . 1 . . . . 12 VAL HG1 . 11284 1 82 . 1 1 12 12 VAL HG13 H 1 0.693 0.030 . 1 . . . . 12 VAL HG1 . 11284 1 83 . 1 1 12 12 VAL HG21 H 1 0.930 0.030 . 1 . . . . 12 VAL HG2 . 11284 1 84 . 1 1 12 12 VAL HG22 H 1 0.930 0.030 . 1 . . . . 12 VAL HG2 . 11284 1 85 . 1 1 12 12 VAL HG23 H 1 0.930 0.030 . 1 . . . . 12 VAL HG2 . 11284 1 86 . 1 1 12 12 VAL C C 13 177.743 0.300 . 1 . . . . 12 VAL C . 11284 1 87 . 1 1 12 12 VAL CA C 13 63.782 0.300 . 1 . . . . 12 VAL CA . 11284 1 88 . 1 1 12 12 VAL CB C 13 32.535 0.300 . 1 . . . . 12 VAL CB . 11284 1 89 . 1 1 12 12 VAL CG1 C 13 24.093 0.300 . 2 . . . . 12 VAL CG1 . 11284 1 90 . 1 1 12 12 VAL CG2 C 13 23.639 0.300 . 2 . . . . 12 VAL CG2 . 11284 1 91 . 1 1 12 12 VAL N N 15 123.293 0.300 . 1 . . . . 12 VAL N . 11284 1 92 . 1 1 13 13 LEU H H 1 9.411 0.030 . 1 . . . . 13 LEU H . 11284 1 93 . 1 1 13 13 LEU HA H 1 4.197 0.030 . 1 . . . . 13 LEU HA . 11284 1 94 . 1 1 13 13 LEU HB2 H 1 1.114 0.030 . 2 . . . . 13 LEU HB2 . 11284 1 95 . 1 1 13 13 LEU HB3 H 1 0.936 0.030 . 2 . . . . 13 LEU HB3 . 11284 1 96 . 1 1 13 13 LEU HD11 H 1 0.656 0.030 . 1 . . . . 13 LEU HD1 . 11284 1 97 . 1 1 13 13 LEU HD12 H 1 0.656 0.030 . 1 . . . . 13 LEU HD1 . 11284 1 98 . 1 1 13 13 LEU HD13 H 1 0.656 0.030 . 1 . . . . 13 LEU HD1 . 11284 1 99 . 1 1 13 13 LEU HD21 H 1 0.918 0.030 . 1 . . . . 13 LEU HD2 . 11284 1 100 . 1 1 13 13 LEU HD22 H 1 0.918 0.030 . 1 . . . . 13 LEU HD2 . 11284 1 101 . 1 1 13 13 LEU HD23 H 1 0.918 0.030 . 1 . . . . 13 LEU HD2 . 11284 1 102 . 1 1 13 13 LEU HG H 1 1.140 0.030 . 1 . . . . 13 LEU HG . 11284 1 103 . 1 1 13 13 LEU C C 13 175.436 0.300 . 1 . . . . 13 LEU C . 11284 1 104 . 1 1 13 13 LEU CA C 13 56.561 0.300 . 1 . . . . 13 LEU CA . 11284 1 105 . 1 1 13 13 LEU CB C 13 44.157 0.300 . 1 . . . . 13 LEU CB . 11284 1 106 . 1 1 13 13 LEU CD1 C 13 24.001 0.300 . 2 . . . . 13 LEU CD1 . 11284 1 107 . 1 1 13 13 LEU CD2 C 13 26.752 0.300 . 2 . . . . 13 LEU CD2 . 11284 1 108 . 1 1 13 13 LEU CG C 13 26.770 0.300 . 1 . . . . 13 LEU CG . 11284 1 109 . 1 1 13 13 LEU N N 15 131.442 0.300 . 1 . . . . 13 LEU N . 11284 1 110 . 1 1 14 14 TYR H H 1 6.866 0.030 . 1 . . . . 14 TYR H . 11284 1 111 . 1 1 14 14 TYR HA H 1 4.852 0.030 . 1 . . . . 14 TYR HA . 11284 1 112 . 1 1 14 14 TYR HB2 H 1 3.245 0.030 . 2 . . . . 14 TYR HB2 . 11284 1 113 . 1 1 14 14 TYR HB3 H 1 2.557 0.030 . 2 . . . . 14 TYR HB3 . 11284 1 114 . 1 1 14 14 TYR HD1 H 1 7.081 0.030 . 1 . . . . 14 TYR HD1 . 11284 1 115 . 1 1 14 14 TYR HD2 H 1 7.081 0.030 . 1 . . . . 14 TYR HD2 . 11284 1 116 . 1 1 14 14 TYR HE1 H 1 6.788 0.030 . 1 . . . . 14 TYR HE1 . 11284 1 117 . 1 1 14 14 TYR HE2 H 1 6.788 0.030 . 1 . . . . 14 TYR HE2 . 11284 1 118 . 1 1 14 14 TYR C C 13 172.158 0.300 . 1 . . . . 14 TYR C . 11284 1 119 . 1 1 14 14 TYR CA C 13 55.246 0.300 . 1 . . . . 14 TYR CA . 11284 1 120 . 1 1 14 14 TYR CB C 13 41.356 0.300 . 1 . . . . 14 TYR CB . 11284 1 121 . 1 1 14 14 TYR CD1 C 13 133.741 0.300 . 1 . . . . 14 TYR CD1 . 11284 1 122 . 1 1 14 14 TYR CD2 C 13 133.741 0.300 . 1 . . . . 14 TYR CD2 . 11284 1 123 . 1 1 14 14 TYR CE1 C 13 118.086 0.300 . 1 . . . . 14 TYR CE1 . 11284 1 124 . 1 1 14 14 TYR CE2 C 13 118.086 0.300 . 1 . . . . 14 TYR CE2 . 11284 1 125 . 1 1 14 14 TYR N N 15 115.367 0.300 . 1 . . . . 14 TYR N . 11284 1 126 . 1 1 15 15 GLU H H 1 8.443 0.030 . 1 . . . . 15 GLU H . 11284 1 127 . 1 1 15 15 GLU HA H 1 4.056 0.030 . 1 . . . . 15 GLU HA . 11284 1 128 . 1 1 15 15 GLU HB2 H 1 2.293 0.030 . 2 . . . . 15 GLU HB2 . 11284 1 129 . 1 1 15 15 GLU HB3 H 1 2.167 0.030 . 2 . . . . 15 GLU HB3 . 11284 1 130 . 1 1 15 15 GLU HG2 H 1 2.428 0.030 . 2 . . . . 15 GLU HG2 . 11284 1 131 . 1 1 15 15 GLU HG3 H 1 2.344 0.030 . 2 . . . . 15 GLU HG3 . 11284 1 132 . 1 1 15 15 GLU C C 13 174.999 0.300 . 1 . . . . 15 GLU C . 11284 1 133 . 1 1 15 15 GLU CA C 13 56.827 0.300 . 1 . . . . 15 GLU CA . 11284 1 134 . 1 1 15 15 GLU CB C 13 30.172 0.300 . 1 . . . . 15 GLU CB . 11284 1 135 . 1 1 15 15 GLU CG C 13 35.917 0.300 . 1 . . . . 15 GLU CG . 11284 1 136 . 1 1 15 15 GLU N N 15 117.238 0.300 . 1 . . . . 15 GLU N . 11284 1 137 . 1 1 16 16 PHE H H 1 8.103 0.030 . 1 . . . . 16 PHE H . 11284 1 138 . 1 1 16 16 PHE HA H 1 4.707 0.030 . 1 . . . . 16 PHE HA . 11284 1 139 . 1 1 16 16 PHE HB2 H 1 3.125 0.030 . 2 . . . . 16 PHE HB2 . 11284 1 140 . 1 1 16 16 PHE HB3 H 1 2.794 0.030 . 2 . . . . 16 PHE HB3 . 11284 1 141 . 1 1 16 16 PHE HD1 H 1 7.546 0.030 . 1 . . . . 16 PHE HD1 . 11284 1 142 . 1 1 16 16 PHE HD2 H 1 7.546 0.030 . 1 . . . . 16 PHE HD2 . 11284 1 143 . 1 1 16 16 PHE HE1 H 1 7.491 0.030 . 1 . . . . 16 PHE HE1 . 11284 1 144 . 1 1 16 16 PHE HE2 H 1 7.491 0.030 . 1 . . . . 16 PHE HE2 . 11284 1 145 . 1 1 16 16 PHE HZ H 1 7.754 0.030 . 1 . . . . 16 PHE HZ . 11284 1 146 . 1 1 16 16 PHE C C 13 171.745 0.300 . 1 . . . . 16 PHE C . 11284 1 147 . 1 1 16 16 PHE CA C 13 58.190 0.300 . 1 . . . . 16 PHE CA . 11284 1 148 . 1 1 16 16 PHE CB C 13 43.274 0.300 . 1 . . . . 16 PHE CB . 11284 1 149 . 1 1 16 16 PHE CD1 C 13 132.802 0.300 . 1 . . . . 16 PHE CD1 . 11284 1 150 . 1 1 16 16 PHE CD2 C 13 132.802 0.300 . 1 . . . . 16 PHE CD2 . 11284 1 151 . 1 1 16 16 PHE CE1 C 13 131.189 0.300 . 1 . . . . 16 PHE CE1 . 11284 1 152 . 1 1 16 16 PHE CE2 C 13 131.189 0.300 . 1 . . . . 16 PHE CE2 . 11284 1 153 . 1 1 16 16 PHE CZ C 13 130.912 0.300 . 1 . . . . 16 PHE CZ . 11284 1 154 . 1 1 16 16 PHE N N 15 122.200 0.300 . 1 . . . . 16 PHE N . 11284 1 155 . 1 1 17 17 GLU H H 1 7.535 0.030 . 1 . . . . 17 GLU H . 11284 1 156 . 1 1 17 17 GLU HA H 1 4.469 0.030 . 1 . . . . 17 GLU HA . 11284 1 157 . 1 1 17 17 GLU HB2 H 1 1.710 0.030 . 1 . . . . 17 GLU HB2 . 11284 1 158 . 1 1 17 17 GLU HB3 H 1 1.710 0.030 . 1 . . . . 17 GLU HB3 . 11284 1 159 . 1 1 17 17 GLU HG2 H 1 2.132 0.030 . 2 . . . . 17 GLU HG2 . 11284 1 160 . 1 1 17 17 GLU HG3 H 1 2.072 0.030 . 2 . . . . 17 GLU HG3 . 11284 1 161 . 1 1 17 17 GLU C C 13 173.785 0.300 . 1 . . . . 17 GLU C . 11284 1 162 . 1 1 17 17 GLU CA C 13 53.908 0.300 . 1 . . . . 17 GLU CA . 11284 1 163 . 1 1 17 17 GLU CB C 13 31.467 0.300 . 1 . . . . 17 GLU CB . 11284 1 164 . 1 1 17 17 GLU CG C 13 36.328 0.300 . 1 . . . . 17 GLU CG . 11284 1 165 . 1 1 17 17 GLU N N 15 127.483 0.300 . 1 . . . . 17 GLU N . 11284 1 166 . 1 1 18 18 ALA H H 1 8.463 0.030 . 1 . . . . 18 ALA H . 11284 1 167 . 1 1 18 18 ALA HA H 1 4.130 0.030 . 1 . . . . 18 ALA HA . 11284 1 168 . 1 1 18 18 ALA HB1 H 1 1.347 0.030 . 1 . . . . 18 ALA HB . 11284 1 169 . 1 1 18 18 ALA HB2 H 1 1.347 0.030 . 1 . . . . 18 ALA HB . 11284 1 170 . 1 1 18 18 ALA HB3 H 1 1.347 0.030 . 1 . . . . 18 ALA HB . 11284 1 171 . 1 1 18 18 ALA C C 13 179.054 0.300 . 1 . . . . 18 ALA C . 11284 1 172 . 1 1 18 18 ALA CA C 13 52.997 0.300 . 1 . . . . 18 ALA CA . 11284 1 173 . 1 1 18 18 ALA CB C 13 20.631 0.300 . 1 . . . . 18 ALA CB . 11284 1 174 . 1 1 18 18 ALA N N 15 126.964 0.300 . 1 . . . . 18 ALA N . 11284 1 175 . 1 1 19 19 ARG H H 1 9.285 0.030 . 1 . . . . 19 ARG H . 11284 1 176 . 1 1 19 19 ARG HA H 1 4.417 0.030 . 1 . . . . 19 ARG HA . 11284 1 177 . 1 1 19 19 ARG HB2 H 1 2.025 0.030 . 2 . . . . 19 ARG HB2 . 11284 1 178 . 1 1 19 19 ARG HB3 H 1 1.939 0.030 . 2 . . . . 19 ARG HB3 . 11284 1 179 . 1 1 19 19 ARG HD2 H 1 3.438 0.030 . 2 . . . . 19 ARG HD2 . 11284 1 180 . 1 1 19 19 ARG HD3 H 1 3.279 0.030 . 2 . . . . 19 ARG HD3 . 11284 1 181 . 1 1 19 19 ARG HG2 H 1 1.816 0.030 . 2 . . . . 19 ARG HG2 . 11284 1 182 . 1 1 19 19 ARG HG3 H 1 1.776 0.030 . 2 . . . . 19 ARG HG3 . 11284 1 183 . 1 1 19 19 ARG C C 13 175.703 0.300 . 1 . . . . 19 ARG C . 11284 1 184 . 1 1 19 19 ARG CA C 13 56.135 0.300 . 1 . . . . 19 ARG CA . 11284 1 185 . 1 1 19 19 ARG CB C 13 30.726 0.300 . 1 . . . . 19 ARG CB . 11284 1 186 . 1 1 19 19 ARG CD C 13 43.011 0.300 . 1 . . . . 19 ARG CD . 11284 1 187 . 1 1 19 19 ARG CG C 13 26.770 0.300 . 1 . . . . 19 ARG CG . 11284 1 188 . 1 1 19 19 ARG N N 15 120.731 0.300 . 1 . . . . 19 ARG N . 11284 1 189 . 1 1 20 20 ASN H H 1 7.624 0.030 . 1 . . . . 20 ASN H . 11284 1 190 . 1 1 20 20 ASN HA H 1 4.993 0.030 . 1 . . . . 20 ASN HA . 11284 1 191 . 1 1 20 20 ASN HB2 H 1 2.795 0.030 . 2 . . . . 20 ASN HB2 . 11284 1 192 . 1 1 20 20 ASN HB3 H 1 2.659 0.030 . 2 . . . . 20 ASN HB3 . 11284 1 193 . 1 1 20 20 ASN HD21 H 1 7.709 0.030 . 2 . . . . 20 ASN HD21 . 11284 1 194 . 1 1 20 20 ASN HD22 H 1 6.698 0.030 . 2 . . . . 20 ASN HD22 . 11284 1 195 . 1 1 20 20 ASN C C 13 174.125 0.300 . 1 . . . . 20 ASN C . 11284 1 196 . 1 1 20 20 ASN CA C 13 51.529 0.300 . 1 . . . . 20 ASN CA . 11284 1 197 . 1 1 20 20 ASN CB C 13 39.744 0.300 . 1 . . . . 20 ASN CB . 11284 1 198 . 1 1 20 20 ASN N N 15 115.285 0.300 . 1 . . . . 20 ASN N . 11284 1 199 . 1 1 20 20 ASN ND2 N 15 116.197 0.300 . 1 . . . . 20 ASN ND2 . 11284 1 200 . 1 1 21 21 PRO HA H 1 4.548 0.030 . 1 . . . . 21 PRO HA . 11284 1 201 . 1 1 21 21 PRO HB2 H 1 2.520 0.030 . 2 . . . . 21 PRO HB2 . 11284 1 202 . 1 1 21 21 PRO HB3 H 1 1.986 0.030 . 2 . . . . 21 PRO HB3 . 11284 1 203 . 1 1 21 21 PRO HD2 H 1 3.888 0.030 . 2 . . . . 21 PRO HD2 . 11284 1 204 . 1 1 21 21 PRO HD3 H 1 3.726 0.030 . 2 . . . . 21 PRO HD3 . 11284 1 205 . 1 1 21 21 PRO HG2 H 1 2.129 0.030 . 2 . . . . 21 PRO HG2 . 11284 1 206 . 1 1 21 21 PRO HG3 H 1 2.007 0.030 . 2 . . . . 21 PRO HG3 . 11284 1 207 . 1 1 21 21 PRO C C 13 176.990 0.300 . 1 . . . . 21 PRO C . 11284 1 208 . 1 1 21 21 PRO CA C 13 65.079 0.300 . 1 . . . . 21 PRO CA . 11284 1 209 . 1 1 21 21 PRO CB C 13 32.456 0.300 . 1 . . . . 21 PRO CB . 11284 1 210 . 1 1 21 21 PRO CD C 13 51.327 0.300 . 1 . . . . 21 PRO CD . 11284 1 211 . 1 1 21 21 PRO CG C 13 27.594 0.300 . 1 . . . . 21 PRO CG . 11284 1 212 . 1 1 22 22 ARG H H 1 8.452 0.030 . 1 . . . . 22 ARG H . 11284 1 213 . 1 1 22 22 ARG HA H 1 4.566 0.030 . 1 . . . . 22 ARG HA . 11284 1 214 . 1 1 22 22 ARG HB2 H 1 2.100 0.030 . 2 . . . . 22 ARG HB2 . 11284 1 215 . 1 1 22 22 ARG HB3 H 1 2.047 0.030 . 2 . . . . 22 ARG HB3 . 11284 1 216 . 1 1 22 22 ARG HD2 H 1 3.124 0.030 . 2 . . . . 22 ARG HD2 . 11284 1 217 . 1 1 22 22 ARG HD3 H 1 3.067 0.030 . 2 . . . . 22 ARG HD3 . 11284 1 218 . 1 1 22 22 ARG HG2 H 1 1.713 0.030 . 2 . . . . 22 ARG HG2 . 11284 1 219 . 1 1 22 22 ARG HG3 H 1 1.589 0.030 . 2 . . . . 22 ARG HG3 . 11284 1 220 . 1 1 22 22 ARG C C 13 177.330 0.300 . 1 . . . . 22 ARG C . 11284 1 221 . 1 1 22 22 ARG CA C 13 56.635 0.300 . 1 . . . . 22 ARG CA . 11284 1 222 . 1 1 22 22 ARG CB C 13 29.997 0.300 . 1 . . . . 22 ARG CB . 11284 1 223 . 1 1 22 22 ARG CD C 13 43.311 0.300 . 1 . . . . 22 ARG CD . 11284 1 224 . 1 1 22 22 ARG CG C 13 27.841 0.300 . 1 . . . . 22 ARG CG . 11284 1 225 . 1 1 22 22 ARG N N 15 114.569 0.300 . 1 . . . . 22 ARG N . 11284 1 226 . 1 1 23 23 GLU H H 1 7.792 0.030 . 1 . . . . 23 GLU H . 11284 1 227 . 1 1 23 23 GLU HA H 1 5.423 0.030 . 1 . . . . 23 GLU HA . 11284 1 228 . 1 1 23 23 GLU HB2 H 1 2.569 0.030 . 2 . . . . 23 GLU HB2 . 11284 1 229 . 1 1 23 23 GLU HB3 H 1 2.367 0.030 . 2 . . . . 23 GLU HB3 . 11284 1 230 . 1 1 23 23 GLU HG2 H 1 2.503 0.030 . 2 . . . . 23 GLU HG2 . 11284 1 231 . 1 1 23 23 GLU HG3 H 1 2.395 0.030 . 2 . . . . 23 GLU HG3 . 11284 1 232 . 1 1 23 23 GLU C C 13 174.586 0.300 . 1 . . . . 23 GLU C . 11284 1 233 . 1 1 23 23 GLU CA C 13 55.431 0.300 . 1 . . . . 23 GLU CA . 11284 1 234 . 1 1 23 23 GLU CB C 13 32.621 0.300 . 1 . . . . 23 GLU CB . 11284 1 235 . 1 1 23 23 GLU CG C 13 36.966 0.300 . 1 . . . . 23 GLU CG . 11284 1 236 . 1 1 23 23 GLU N N 15 120.945 0.300 . 1 . . . . 23 GLU N . 11284 1 237 . 1 1 24 24 LEU H H 1 7.834 0.030 . 1 . . . . 24 LEU H . 11284 1 238 . 1 1 24 24 LEU HA H 1 4.753 0.030 . 1 . . . . 24 LEU HA . 11284 1 239 . 1 1 24 24 LEU HB2 H 1 1.644 0.030 . 2 . . . . 24 LEU HB2 . 11284 1 240 . 1 1 24 24 LEU HB3 H 1 0.671 0.030 . 2 . . . . 24 LEU HB3 . 11284 1 241 . 1 1 24 24 LEU HD11 H 1 0.782 0.030 . 1 . . . . 24 LEU HD1 . 11284 1 242 . 1 1 24 24 LEU HD12 H 1 0.782 0.030 . 1 . . . . 24 LEU HD1 . 11284 1 243 . 1 1 24 24 LEU HD13 H 1 0.782 0.030 . 1 . . . . 24 LEU HD1 . 11284 1 244 . 1 1 24 24 LEU HD21 H 1 0.625 0.030 . 1 . . . . 24 LEU HD2 . 11284 1 245 . 1 1 24 24 LEU HD22 H 1 0.625 0.030 . 1 . . . . 24 LEU HD2 . 11284 1 246 . 1 1 24 24 LEU HD23 H 1 0.625 0.030 . 1 . . . . 24 LEU HD2 . 11284 1 247 . 1 1 24 24 LEU HG H 1 1.487 0.030 . 1 . . . . 24 LEU HG . 11284 1 248 . 1 1 24 24 LEU C C 13 173.785 0.300 . 1 . . . . 24 LEU C . 11284 1 249 . 1 1 24 24 LEU CA C 13 53.191 0.300 . 1 . . . . 24 LEU CA . 11284 1 250 . 1 1 24 24 LEU CB C 13 46.809 0.300 . 1 . . . . 24 LEU CB . 11284 1 251 . 1 1 24 24 LEU CD1 C 13 23.639 0.300 . 2 . . . . 24 LEU CD1 . 11284 1 252 . 1 1 24 24 LEU CD2 C 13 26.440 0.300 . 2 . . . . 24 LEU CD2 . 11284 1 253 . 1 1 24 24 LEU CG C 13 26.353 0.300 . 1 . . . . 24 LEU CG . 11284 1 254 . 1 1 24 24 LEU N N 15 122.927 0.300 . 1 . . . . 24 LEU N . 11284 1 255 . 1 1 25 25 THR H H 1 8.105 0.030 . 1 . . . . 25 THR H . 11284 1 256 . 1 1 25 25 THR HA H 1 4.955 0.030 . 1 . . . . 25 THR HA . 11284 1 257 . 1 1 25 25 THR HB H 1 4.130 0.030 . 1 . . . . 25 THR HB . 11284 1 258 . 1 1 25 25 THR HG21 H 1 1.351 0.030 . 1 . . . . 25 THR HG2 . 11284 1 259 . 1 1 25 25 THR HG22 H 1 1.351 0.030 . 1 . . . . 25 THR HG2 . 11284 1 260 . 1 1 25 25 THR HG23 H 1 1.351 0.030 . 1 . . . . 25 THR HG2 . 11284 1 261 . 1 1 25 25 THR C C 13 175.436 0.300 . 1 . . . . 25 THR C . 11284 1 262 . 1 1 25 25 THR CA C 13 62.922 0.300 . 1 . . . . 25 THR CA . 11284 1 263 . 1 1 25 25 THR CB C 13 69.620 0.300 . 1 . . . . 25 THR CB . 11284 1 264 . 1 1 25 25 THR CG2 C 13 22.567 0.300 . 1 . . . . 25 THR CG2 . 11284 1 265 . 1 1 25 25 THR N N 15 122.418 0.300 . 1 . . . . 25 THR N . 11284 1 266 . 1 1 26 26 VAL H H 1 9.244 0.030 . 1 . . . . 26 VAL H . 11284 1 267 . 1 1 26 26 VAL HA H 1 5.164 0.030 . 1 . . . . 26 VAL HA . 11284 1 268 . 1 1 26 26 VAL HB H 1 2.283 0.030 . 1 . . . . 26 VAL HB . 11284 1 269 . 1 1 26 26 VAL HG11 H 1 0.938 0.030 . 1 . . . . 26 VAL HG1 . 11284 1 270 . 1 1 26 26 VAL HG12 H 1 0.938 0.030 . 1 . . . . 26 VAL HG1 . 11284 1 271 . 1 1 26 26 VAL HG13 H 1 0.938 0.030 . 1 . . . . 26 VAL HG1 . 11284 1 272 . 1 1 26 26 VAL HG21 H 1 1.129 0.030 . 1 . . . . 26 VAL HG2 . 11284 1 273 . 1 1 26 26 VAL HG22 H 1 1.129 0.030 . 1 . . . . 26 VAL HG2 . 11284 1 274 . 1 1 26 26 VAL HG23 H 1 1.129 0.030 . 1 . . . . 26 VAL HG2 . 11284 1 275 . 1 1 26 26 VAL C C 13 175.314 0.300 . 1 . . . . 26 VAL C . 11284 1 276 . 1 1 26 26 VAL CA C 13 58.777 0.300 . 1 . . . . 26 VAL CA . 11284 1 277 . 1 1 26 26 VAL CB C 13 36.368 0.300 . 1 . . . . 26 VAL CB . 11284 1 278 . 1 1 26 26 VAL CG1 C 13 23.048 0.300 . 2 . . . . 26 VAL CG1 . 11284 1 279 . 1 1 26 26 VAL CG2 C 13 20.817 0.300 . 2 . . . . 26 VAL CG2 . 11284 1 280 . 1 1 26 26 VAL N N 15 121.117 0.300 . 1 . . . . 26 VAL N . 11284 1 281 . 1 1 27 27 VAL H H 1 9.150 0.030 . 1 . . . . 27 VAL H . 11284 1 282 . 1 1 27 27 VAL HA H 1 4.647 0.030 . 1 . . . . 27 VAL HA . 11284 1 283 . 1 1 27 27 VAL HB H 1 2.289 0.030 . 1 . . . . 27 VAL HB . 11284 1 284 . 1 1 27 27 VAL HG11 H 1 0.956 0.030 . 1 . . . . 27 VAL HG1 . 11284 1 285 . 1 1 27 27 VAL HG12 H 1 0.956 0.030 . 1 . . . . 27 VAL HG1 . 11284 1 286 . 1 1 27 27 VAL HG13 H 1 0.956 0.030 . 1 . . . . 27 VAL HG1 . 11284 1 287 . 1 1 27 27 VAL HG21 H 1 0.891 0.030 . 1 . . . . 27 VAL HG2 . 11284 1 288 . 1 1 27 27 VAL HG22 H 1 0.891 0.030 . 1 . . . . 27 VAL HG2 . 11284 1 289 . 1 1 27 27 VAL HG23 H 1 0.891 0.030 . 1 . . . . 27 VAL HG2 . 11284 1 290 . 1 1 27 27 VAL C C 13 175.557 0.300 . 1 . . . . 27 VAL C . 11284 1 291 . 1 1 27 27 VAL CA C 13 59.145 0.300 . 1 . . . . 27 VAL CA . 11284 1 292 . 1 1 27 27 VAL CB C 13 34.434 0.300 . 1 . . . . 27 VAL CB . 11284 1 293 . 1 1 27 27 VAL CG1 C 13 21.167 0.300 . 2 . . . . 27 VAL CG1 . 11284 1 294 . 1 1 27 27 VAL CG2 C 13 19.024 0.300 . 2 . . . . 27 VAL CG2 . 11284 1 295 . 1 1 27 27 VAL N N 15 116.716 0.300 . 1 . . . . 27 VAL N . 11284 1 296 . 1 1 28 28 GLN H H 1 8.575 0.030 . 1 . . . . 28 GLN H . 11284 1 297 . 1 1 28 28 GLN HA H 1 3.421 0.030 . 1 . . . . 28 GLN HA . 11284 1 298 . 1 1 28 28 GLN HB2 H 1 1.936 0.030 . 2 . . . . 28 GLN HB2 . 11284 1 299 . 1 1 28 28 GLN HB3 H 1 2.031 0.030 . 2 . . . . 28 GLN HB3 . 11284 1 300 . 1 1 28 28 GLN HE21 H 1 7.573 0.030 . 2 . . . . 28 GLN HE21 . 11284 1 301 . 1 1 28 28 GLN HE22 H 1 6.865 0.030 . 2 . . . . 28 GLN HE22 . 11284 1 302 . 1 1 28 28 GLN HG2 H 1 2.369 0.030 . 2 . . . . 28 GLN HG2 . 11284 1 303 . 1 1 28 28 GLN HG3 H 1 2.208 0.030 . 2 . . . . 28 GLN HG3 . 11284 1 304 . 1 1 28 28 GLN C C 13 177.330 0.300 . 1 . . . . 28 GLN C . 11284 1 305 . 1 1 28 28 GLN CA C 13 58.757 0.300 . 1 . . . . 28 GLN CA . 11284 1 306 . 1 1 28 28 GLN CB C 13 28.665 0.300 . 1 . . . . 28 GLN CB . 11284 1 307 . 1 1 28 28 GLN CG C 13 34.072 0.300 . 1 . . . . 28 GLN CG . 11284 1 308 . 1 1 28 28 GLN N N 15 120.621 0.300 . 1 . . . . 28 GLN N . 11284 1 309 . 1 1 28 28 GLN NE2 N 15 111.815 0.300 . 1 . . . . 28 GLN NE2 . 11284 1 310 . 1 1 29 29 GLY H H 1 8.964 0.030 . 1 . . . . 29 GLY H . 11284 1 311 . 1 1 29 29 GLY HA2 H 1 4.326 0.030 . 2 . . . . 29 GLY HA2 . 11284 1 312 . 1 1 29 29 GLY HA3 H 1 3.607 0.030 . 2 . . . . 29 GLY HA3 . 11284 1 313 . 1 1 29 29 GLY C C 13 173.906 0.300 . 1 . . . . 29 GLY C . 11284 1 314 . 1 1 29 29 GLY CA C 13 45.058 0.300 . 1 . . . . 29 GLY CA . 11284 1 315 . 1 1 29 29 GLY N N 15 113.824 0.300 . 1 . . . . 29 GLY N . 11284 1 316 . 1 1 30 30 GLU H H 1 7.831 0.030 . 1 . . . . 30 GLU H . 11284 1 317 . 1 1 30 30 GLU HA H 1 4.274 0.030 . 1 . . . . 30 GLU HA . 11284 1 318 . 1 1 30 30 GLU HB2 H 1 2.331 0.030 . 2 . . . . 30 GLU HB2 . 11284 1 319 . 1 1 30 30 GLU HB3 H 1 1.983 0.030 . 2 . . . . 30 GLU HB3 . 11284 1 320 . 1 1 30 30 GLU HG2 H 1 2.459 0.030 . 2 . . . . 30 GLU HG2 . 11284 1 321 . 1 1 30 30 GLU HG3 H 1 2.261 0.030 . 2 . . . . 30 GLU HG3 . 11284 1 322 . 1 1 30 30 GLU C C 13 174.902 0.300 . 1 . . . . 30 GLU C . 11284 1 323 . 1 1 30 30 GLU CA C 13 57.598 0.300 . 1 . . . . 30 GLU CA . 11284 1 324 . 1 1 30 30 GLU CB C 13 30.973 0.300 . 1 . . . . 30 GLU CB . 11284 1 325 . 1 1 30 30 GLU CG C 13 36.745 0.300 . 1 . . . . 30 GLU CG . 11284 1 326 . 1 1 30 30 GLU N N 15 121.825 0.300 . 1 . . . . 30 GLU N . 11284 1 327 . 1 1 31 31 LYS H H 1 8.670 0.030 . 1 . . . . 31 LYS H . 11284 1 328 . 1 1 31 31 LYS HA H 1 4.999 0.030 . 1 . . . . 31 LYS HA . 11284 1 329 . 1 1 31 31 LYS HB2 H 1 1.889 0.030 . 2 . . . . 31 LYS HB2 . 11284 1 330 . 1 1 31 31 LYS HB3 H 1 1.652 0.030 . 2 . . . . 31 LYS HB3 . 11284 1 331 . 1 1 31 31 LYS HD2 H 1 1.693 0.030 . 1 . . . . 31 LYS HD2 . 11284 1 332 . 1 1 31 31 LYS HD3 H 1 1.693 0.030 . 1 . . . . 31 LYS HD3 . 11284 1 333 . 1 1 31 31 LYS HE2 H 1 3.023 0.030 . 1 . . . . 31 LYS HE2 . 11284 1 334 . 1 1 31 31 LYS HE3 H 1 3.023 0.030 . 1 . . . . 31 LYS HE3 . 11284 1 335 . 1 1 31 31 LYS HG2 H 1 1.586 0.030 . 2 . . . . 31 LYS HG2 . 11284 1 336 . 1 1 31 31 LYS HG3 H 1 1.361 0.030 . 2 . . . . 31 LYS HG3 . 11284 1 337 . 1 1 31 31 LYS C C 13 176.358 0.300 . 1 . . . . 31 LYS C . 11284 1 338 . 1 1 31 31 LYS CA C 13 55.601 0.300 . 1 . . . . 31 LYS CA . 11284 1 339 . 1 1 31 31 LYS CB C 13 33.445 0.300 . 1 . . . . 31 LYS CB . 11284 1 340 . 1 1 31 31 LYS CD C 13 29.276 0.300 . 1 . . . . 31 LYS CD . 11284 1 341 . 1 1 31 31 LYS CE C 13 42.131 0.300 . 1 . . . . 31 LYS CE . 11284 1 342 . 1 1 31 31 LYS CG C 13 25.569 0.300 . 1 . . . . 31 LYS CG . 11284 1 343 . 1 1 31 31 LYS N N 15 122.124 0.300 . 1 . . . . 31 LYS N . 11284 1 344 . 1 1 32 32 LEU H H 1 8.984 0.030 . 1 . . . . 32 LEU H . 11284 1 345 . 1 1 32 32 LEU HA H 1 4.949 0.030 . 1 . . . . 32 LEU HA . 11284 1 346 . 1 1 32 32 LEU HB2 H 1 1.360 0.030 . 2 . . . . 32 LEU HB2 . 11284 1 347 . 1 1 32 32 LEU HB3 H 1 1.310 0.030 . 2 . . . . 32 LEU HB3 . 11284 1 348 . 1 1 32 32 LEU HD11 H 1 0.784 0.030 . 1 . . . . 32 LEU HD1 . 11284 1 349 . 1 1 32 32 LEU HD12 H 1 0.784 0.030 . 1 . . . . 32 LEU HD1 . 11284 1 350 . 1 1 32 32 LEU HD13 H 1 0.784 0.030 . 1 . . . . 32 LEU HD1 . 11284 1 351 . 1 1 32 32 LEU HD21 H 1 0.800 0.030 . 1 . . . . 32 LEU HD2 . 11284 1 352 . 1 1 32 32 LEU HD22 H 1 0.800 0.030 . 1 . . . . 32 LEU HD2 . 11284 1 353 . 1 1 32 32 LEU HD23 H 1 0.800 0.030 . 1 . . . . 32 LEU HD2 . 11284 1 354 . 1 1 32 32 LEU HG H 1 1.503 0.030 . 1 . . . . 32 LEU HG . 11284 1 355 . 1 1 32 32 LEU C C 13 175.581 0.300 . 1 . . . . 32 LEU C . 11284 1 356 . 1 1 32 32 LEU CA C 13 53.047 0.300 . 1 . . . . 32 LEU CA . 11284 1 357 . 1 1 32 32 LEU CB C 13 46.630 0.300 . 1 . . . . 32 LEU CB . 11284 1 358 . 1 1 32 32 LEU CD1 C 13 27.903 0.300 . 2 . . . . 32 LEU CD1 . 11284 1 359 . 1 1 32 32 LEU CD2 C 13 23.505 0.300 . 2 . . . . 32 LEU CD2 . 11284 1 360 . 1 1 32 32 LEU CG C 13 26.443 0.300 . 1 . . . . 32 LEU CG . 11284 1 361 . 1 1 32 32 LEU N N 15 122.753 0.300 . 1 . . . . 32 LEU N . 11284 1 362 . 1 1 33 33 GLU H H 1 8.485 0.030 . 1 . . . . 33 GLU H . 11284 1 363 . 1 1 33 33 GLU HA H 1 4.830 0.030 . 1 . . . . 33 GLU HA . 11284 1 364 . 1 1 33 33 GLU HB2 H 1 1.970 0.030 . 2 . . . . 33 GLU HB2 . 11284 1 365 . 1 1 33 33 GLU HB3 H 1 1.869 0.030 . 2 . . . . 33 GLU HB3 . 11284 1 366 . 1 1 33 33 GLU HG2 H 1 2.192 0.030 . 2 . . . . 33 GLU HG2 . 11284 1 367 . 1 1 33 33 GLU HG3 H 1 1.992 0.030 . 2 . . . . 33 GLU HG3 . 11284 1 368 . 1 1 33 33 GLU C C 13 175.946 0.300 . 1 . . . . 33 GLU C . 11284 1 369 . 1 1 33 33 GLU CA C 13 54.920 0.300 . 1 . . . . 33 GLU CA . 11284 1 370 . 1 1 33 33 GLU CB C 13 31.879 0.300 . 1 . . . . 33 GLU CB . 11284 1 371 . 1 1 33 33 GLU CG C 13 36.449 0.300 . 1 . . . . 33 GLU CG . 11284 1 372 . 1 1 33 33 GLU N N 15 120.787 0.300 . 1 . . . . 33 GLU N . 11284 1 373 . 1 1 34 34 VAL H H 1 8.990 0.030 . 1 . . . . 34 VAL H . 11284 1 374 . 1 1 34 34 VAL HA H 1 4.133 0.030 . 1 . . . . 34 VAL HA . 11284 1 375 . 1 1 34 34 VAL HB H 1 2.006 0.030 . 1 . . . . 34 VAL HB . 11284 1 376 . 1 1 34 34 VAL HG11 H 1 0.626 0.030 . 1 . . . . 34 VAL HG1 . 11284 1 377 . 1 1 34 34 VAL HG12 H 1 0.626 0.030 . 1 . . . . 34 VAL HG1 . 11284 1 378 . 1 1 34 34 VAL HG13 H 1 0.626 0.030 . 1 . . . . 34 VAL HG1 . 11284 1 379 . 1 1 34 34 VAL HG21 H 1 0.955 0.030 . 1 . . . . 34 VAL HG2 . 11284 1 380 . 1 1 34 34 VAL HG22 H 1 0.955 0.030 . 1 . . . . 34 VAL HG2 . 11284 1 381 . 1 1 34 34 VAL HG23 H 1 0.955 0.030 . 1 . . . . 34 VAL HG2 . 11284 1 382 . 1 1 34 34 VAL C C 13 175.484 0.300 . 1 . . . . 34 VAL C . 11284 1 383 . 1 1 34 34 VAL CA C 13 63.178 0.300 . 1 . . . . 34 VAL CA . 11284 1 384 . 1 1 34 34 VAL CB C 13 31.962 0.300 . 1 . . . . 34 VAL CB . 11284 1 385 . 1 1 34 34 VAL CG1 C 13 22.567 0.300 . 2 . . . . 34 VAL CG1 . 11284 1 386 . 1 1 34 34 VAL CG2 C 13 21.084 0.300 . 2 . . . . 34 VAL CG2 . 11284 1 387 . 1 1 34 34 VAL N N 15 125.571 0.300 . 1 . . . . 34 VAL N . 11284 1 388 . 1 1 35 35 LEU H H 1 9.226 0.030 . 1 . . . . 35 LEU H . 11284 1 389 . 1 1 35 35 LEU HA H 1 4.433 0.030 . 1 . . . . 35 LEU HA . 11284 1 390 . 1 1 35 35 LEU HB2 H 1 1.522 0.030 . 2 . . . . 35 LEU HB2 . 11284 1 391 . 1 1 35 35 LEU HB3 H 1 1.368 0.030 . 2 . . . . 35 LEU HB3 . 11284 1 392 . 1 1 35 35 LEU HD11 H 1 0.767 0.030 . 1 . . . . 35 LEU HD1 . 11284 1 393 . 1 1 35 35 LEU HD12 H 1 0.767 0.030 . 1 . . . . 35 LEU HD1 . 11284 1 394 . 1 1 35 35 LEU HD13 H 1 0.767 0.030 . 1 . . . . 35 LEU HD1 . 11284 1 395 . 1 1 35 35 LEU HD21 H 1 0.732 0.030 . 1 . . . . 35 LEU HD2 . 11284 1 396 . 1 1 35 35 LEU HD22 H 1 0.732 0.030 . 1 . . . . 35 LEU HD2 . 11284 1 397 . 1 1 35 35 LEU HD23 H 1 0.732 0.030 . 1 . . . . 35 LEU HD2 . 11284 1 398 . 1 1 35 35 LEU HG H 1 1.518 0.030 . 1 . . . . 35 LEU HG . 11284 1 399 . 1 1 35 35 LEU C C 13 177.427 0.300 . 1 . . . . 35 LEU C . 11284 1 400 . 1 1 35 35 LEU CA C 13 55.812 0.300 . 1 . . . . 35 LEU CA . 11284 1 401 . 1 1 35 35 LEU CB C 13 41.850 0.300 . 1 . . . . 35 LEU CB . 11284 1 402 . 1 1 35 35 LEU CD1 C 13 25.204 0.300 . 2 . . . . 35 LEU CD1 . 11284 1 403 . 1 1 35 35 LEU CD2 C 13 22.567 0.300 . 2 . . . . 35 LEU CD2 . 11284 1 404 . 1 1 35 35 LEU CG C 13 27.378 0.300 . 1 . . . . 35 LEU CG . 11284 1 405 . 1 1 35 35 LEU N N 15 129.319 0.300 . 1 . . . . 35 LEU N . 11284 1 406 . 1 1 36 36 ASP H H 1 7.654 0.030 . 1 . . . . 36 ASP H . 11284 1 407 . 1 1 36 36 ASP HA H 1 4.615 0.030 . 1 . . . . 36 ASP HA . 11284 1 408 . 1 1 36 36 ASP HB2 H 1 2.791 0.030 . 2 . . . . 36 ASP HB2 . 11284 1 409 . 1 1 36 36 ASP HB3 H 1 2.653 0.030 . 2 . . . . 36 ASP HB3 . 11284 1 410 . 1 1 36 36 ASP C C 13 174.902 0.300 . 1 . . . . 36 ASP C . 11284 1 411 . 1 1 36 36 ASP CA C 13 54.773 0.300 . 1 . . . . 36 ASP CA . 11284 1 412 . 1 1 36 36 ASP CB C 13 43.708 0.300 . 1 . . . . 36 ASP CB . 11284 1 413 . 1 1 36 36 ASP N N 15 116.492 0.300 . 1 . . . . 36 ASP N . 11284 1 414 . 1 1 37 37 HIS HA H 1 3.862 0.030 . 1 . . . . 37 HIS HA . 11284 1 415 . 1 1 37 37 HIS HB2 H 1 1.973 0.030 . 2 . . . . 37 HIS HB2 . 11284 1 416 . 1 1 37 37 HIS HB3 H 1 1.112 0.030 . 2 . . . . 37 HIS HB3 . 11284 1 417 . 1 1 37 37 HIS HD2 H 1 6.404 0.030 . 1 . . . . 37 HIS HD2 . 11284 1 418 . 1 1 37 37 HIS HE1 H 1 7.714 0.030 . 1 . . . . 37 HIS HE1 . 11284 1 419 . 1 1 37 37 HIS C C 13 174.367 0.300 . 1 . . . . 37 HIS C . 11284 1 420 . 1 1 37 37 HIS CA C 13 53.659 0.300 . 1 . . . . 37 HIS CA . 11284 1 421 . 1 1 37 37 HIS CB C 13 27.686 0.300 . 1 . . . . 37 HIS CB . 11284 1 422 . 1 1 37 37 HIS CD2 C 13 121.755 0.300 . 1 . . . . 37 HIS CD2 . 11284 1 423 . 1 1 37 37 HIS CE1 C 13 138.034 0.300 . 1 . . . . 37 HIS CE1 . 11284 1 424 . 1 1 38 38 SER H H 1 8.182 0.030 . 1 . . . . 38 SER H . 11284 1 425 . 1 1 38 38 SER HA H 1 4.231 0.030 . 1 . . . . 38 SER HA . 11284 1 426 . 1 1 38 38 SER HB2 H 1 3.951 0.030 . 2 . . . . 38 SER HB2 . 11284 1 427 . 1 1 38 38 SER HB3 H 1 3.829 0.030 . 2 . . . . 38 SER HB3 . 11284 1 428 . 1 1 38 38 SER C C 13 174.999 0.300 . 1 . . . . 38 SER C . 11284 1 429 . 1 1 38 38 SER CA C 13 60.694 0.300 . 1 . . . . 38 SER CA . 11284 1 430 . 1 1 38 38 SER CB C 13 64.182 0.300 . 1 . . . . 38 SER CB . 11284 1 431 . 1 1 38 38 SER N N 15 116.602 0.300 . 1 . . . . 38 SER N . 11284 1 432 . 1 1 39 39 LYS H H 1 8.373 0.030 . 1 . . . . 39 LYS H . 11284 1 433 . 1 1 39 39 LYS HA H 1 4.803 0.030 . 1 . . . . 39 LYS HA . 11284 1 434 . 1 1 39 39 LYS HB2 H 1 2.310 0.030 . 2 . . . . 39 LYS HB2 . 11284 1 435 . 1 1 39 39 LYS HB3 H 1 2.177 0.030 . 2 . . . . 39 LYS HB3 . 11284 1 436 . 1 1 39 39 LYS HD2 H 1 1.795 0.030 . 2 . . . . 39 LYS HD2 . 11284 1 437 . 1 1 39 39 LYS HD3 H 1 1.768 0.030 . 2 . . . . 39 LYS HD3 . 11284 1 438 . 1 1 39 39 LYS HE2 H 1 3.077 0.030 . 1 . . . . 39 LYS HE2 . 11284 1 439 . 1 1 39 39 LYS HE3 H 1 3.077 0.030 . 1 . . . . 39 LYS HE3 . 11284 1 440 . 1 1 39 39 LYS HG2 H 1 1.652 0.030 . 2 . . . . 39 LYS HG2 . 11284 1 441 . 1 1 39 39 LYS HG3 H 1 1.545 0.030 . 2 . . . . 39 LYS HG3 . 11284 1 442 . 1 1 39 39 LYS C C 13 175.921 0.300 . 1 . . . . 39 LYS C . 11284 1 443 . 1 1 39 39 LYS CA C 13 55.442 0.300 . 1 . . . . 39 LYS CA . 11284 1 444 . 1 1 39 39 LYS CB C 13 33.767 0.300 . 1 . . . . 39 LYS CB . 11284 1 445 . 1 1 39 39 LYS CD C 13 28.921 0.300 . 1 . . . . 39 LYS CD . 11284 1 446 . 1 1 39 39 LYS CE C 13 42.388 0.300 . 1 . . . . 39 LYS CE . 11284 1 447 . 1 1 39 39 LYS CG C 13 25.133 0.300 . 1 . . . . 39 LYS CG . 11284 1 448 . 1 1 39 39 LYS N N 15 122.545 0.300 . 1 . . . . 39 LYS N . 11284 1 449 . 1 1 40 40 ARG HA H 1 4.265 0.030 . 1 . . . . 40 ARG HA . 11284 1 450 . 1 1 40 40 ARG HB2 H 1 1.926 0.030 . 1 . . . . 40 ARG HB2 . 11284 1 451 . 1 1 40 40 ARG HB3 H 1 1.926 0.030 . 1 . . . . 40 ARG HB3 . 11284 1 452 . 1 1 40 40 ARG HD2 H 1 3.217 0.030 . 1 . . . . 40 ARG HD2 . 11284 1 453 . 1 1 40 40 ARG HD3 H 1 3.217 0.030 . 1 . . . . 40 ARG HD3 . 11284 1 454 . 1 1 40 40 ARG HG2 H 1 1.719 0.030 . 2 . . . . 40 ARG HG2 . 11284 1 455 . 1 1 40 40 ARG HG3 H 1 1.653 0.030 . 2 . . . . 40 ARG HG3 . 11284 1 456 . 1 1 40 40 ARG C C 13 177.038 0.300 . 1 . . . . 40 ARG C . 11284 1 457 . 1 1 40 40 ARG CA C 13 58.405 0.300 . 1 . . . . 40 ARG CA . 11284 1 458 . 1 1 40 40 ARG CB C 13 30.354 0.300 . 1 . . . . 40 ARG CB . 11284 1 459 . 1 1 40 40 ARG CD C 13 43.220 0.300 . 1 . . . . 40 ARG CD . 11284 1 460 . 1 1 40 40 ARG CG C 13 27.640 0.300 . 1 . . . . 40 ARG CG . 11284 1 461 . 1 1 41 41 TRP H H 1 7.637 0.030 . 1 . . . . 41 TRP H . 11284 1 462 . 1 1 41 41 TRP HA H 1 4.991 0.030 . 1 . . . . 41 TRP HA . 11284 1 463 . 1 1 41 41 TRP HB2 H 1 3.039 0.030 . 2 . . . . 41 TRP HB2 . 11284 1 464 . 1 1 41 41 TRP HB3 H 1 3.106 0.030 . 2 . . . . 41 TRP HB3 . 11284 1 465 . 1 1 41 41 TRP HD1 H 1 7.172 0.030 . 1 . . . . 41 TRP HD1 . 11284 1 466 . 1 1 41 41 TRP HE1 H 1 10.169 0.030 . 1 . . . . 41 TRP HE1 . 11284 1 467 . 1 1 41 41 TRP HE3 H 1 7.128 0.030 . 1 . . . . 41 TRP HE3 . 11284 1 468 . 1 1 41 41 TRP HH2 H 1 7.326 0.030 . 1 . . . . 41 TRP HH2 . 11284 1 469 . 1 1 41 41 TRP HZ2 H 1 7.500 0.030 . 1 . . . . 41 TRP HZ2 . 11284 1 470 . 1 1 41 41 TRP HZ3 H 1 6.964 0.030 . 1 . . . . 41 TRP HZ3 . 11284 1 471 . 1 1 41 41 TRP C C 13 175.849 0.300 . 1 . . . . 41 TRP C . 11284 1 472 . 1 1 41 41 TRP CA C 13 56.632 0.300 . 1 . . . . 41 TRP CA . 11284 1 473 . 1 1 41 41 TRP CB C 13 29.654 0.300 . 1 . . . . 41 TRP CB . 11284 1 474 . 1 1 41 41 TRP CD1 C 13 126.298 0.300 . 1 . . . . 41 TRP CD1 . 11284 1 475 . 1 1 41 41 TRP CE3 C 13 119.326 0.300 . 1 . . . . 41 TRP CE3 . 11284 1 476 . 1 1 41 41 TRP CH2 C 13 125.234 0.300 . 1 . . . . 41 TRP CH2 . 11284 1 477 . 1 1 41 41 TRP CZ2 C 13 114.757 0.300 . 1 . . . . 41 TRP CZ2 . 11284 1 478 . 1 1 41 41 TRP CZ3 C 13 122.008 0.300 . 1 . . . . 41 TRP CZ3 . 11284 1 479 . 1 1 41 41 TRP N N 15 118.668 0.300 . 1 . . . . 41 TRP N . 11284 1 480 . 1 1 41 41 TRP NE1 N 15 129.885 0.300 . 1 . . . . 41 TRP NE1 . 11284 1 481 . 1 1 42 42 TRP H H 1 9.470 0.030 . 1 . . . . 42 TRP H . 11284 1 482 . 1 1 42 42 TRP HA H 1 5.383 0.030 . 1 . . . . 42 TRP HA . 11284 1 483 . 1 1 42 42 TRP HB2 H 1 3.071 0.030 . 2 . . . . 42 TRP HB2 . 11284 1 484 . 1 1 42 42 TRP HB3 H 1 2.837 0.030 . 2 . . . . 42 TRP HB3 . 11284 1 485 . 1 1 42 42 TRP HD1 H 1 7.150 0.030 . 1 . . . . 42 TRP HD1 . 11284 1 486 . 1 1 42 42 TRP HE1 H 1 9.791 0.030 . 1 . . . . 42 TRP HE1 . 11284 1 487 . 1 1 42 42 TRP HE3 H 1 7.144 0.030 . 1 . . . . 42 TRP HE3 . 11284 1 488 . 1 1 42 42 TRP HH2 H 1 7.150 0.030 . 1 . . . . 42 TRP HH2 . 11284 1 489 . 1 1 42 42 TRP HZ2 H 1 7.567 0.030 . 1 . . . . 42 TRP HZ2 . 11284 1 490 . 1 1 42 42 TRP HZ3 H 1 7.029 0.030 . 1 . . . . 42 TRP HZ3 . 11284 1 491 . 1 1 42 42 TRP C C 13 174.634 0.300 . 1 . . . . 42 TRP C . 11284 1 492 . 1 1 42 42 TRP CA C 13 54.810 0.300 . 1 . . . . 42 TRP CA . 11284 1 493 . 1 1 42 42 TRP CB C 13 31.302 0.300 . 1 . . . . 42 TRP CB . 11284 1 494 . 1 1 42 42 TRP CD1 C 13 125.053 0.300 . 1 . . . . 42 TRP CD1 . 11284 1 495 . 1 1 42 42 TRP CE3 C 13 120.856 0.300 . 1 . . . . 42 TRP CE3 . 11284 1 496 . 1 1 42 42 TRP CH2 C 13 124.754 0.300 . 1 . . . . 42 TRP CH2 . 11284 1 497 . 1 1 42 42 TRP CZ2 C 13 114.846 0.300 . 1 . . . . 42 TRP CZ2 . 11284 1 498 . 1 1 42 42 TRP CZ3 C 13 121.325 0.300 . 1 . . . . 42 TRP CZ3 . 11284 1 499 . 1 1 42 42 TRP N N 15 125.895 0.300 . 1 . . . . 42 TRP N . 11284 1 500 . 1 1 42 42 TRP NE1 N 15 130.028 0.300 . 1 . . . . 42 TRP NE1 . 11284 1 501 . 1 1 43 43 LEU H H 1 8.389 0.030 . 1 . . . . 43 LEU H . 11284 1 502 . 1 1 43 43 LEU HA H 1 4.213 0.030 . 1 . . . . 43 LEU HA . 11284 1 503 . 1 1 43 43 LEU HB2 H 1 1.718 0.030 . 2 . . . . 43 LEU HB2 . 11284 1 504 . 1 1 43 43 LEU HB3 H 1 1.117 0.030 . 2 . . . . 43 LEU HB3 . 11284 1 505 . 1 1 43 43 LEU HD11 H 1 0.281 0.030 . 1 . . . . 43 LEU HD1 . 11284 1 506 . 1 1 43 43 LEU HD12 H 1 0.281 0.030 . 1 . . . . 43 LEU HD1 . 11284 1 507 . 1 1 43 43 LEU HD13 H 1 0.281 0.030 . 1 . . . . 43 LEU HD1 . 11284 1 508 . 1 1 43 43 LEU HD21 H 1 0.809 0.030 . 1 . . . . 43 LEU HD2 . 11284 1 509 . 1 1 43 43 LEU HD22 H 1 0.809 0.030 . 1 . . . . 43 LEU HD2 . 11284 1 510 . 1 1 43 43 LEU HD23 H 1 0.809 0.030 . 1 . . . . 43 LEU HD2 . 11284 1 511 . 1 1 43 43 LEU HG H 1 1.200 0.030 . 1 . . . . 43 LEU HG . 11284 1 512 . 1 1 43 43 LEU C C 13 175.849 0.300 . 1 . . . . 43 LEU C . 11284 1 513 . 1 1 43 43 LEU CA C 13 54.310 0.300 . 1 . . . . 43 LEU CA . 11284 1 514 . 1 1 43 43 LEU CB C 13 43.004 0.300 . 1 . . . . 43 LEU CB . 11284 1 515 . 1 1 43 43 LEU CD1 C 13 21.002 0.300 . 2 . . . . 43 LEU CD1 . 11284 1 516 . 1 1 43 43 LEU CD2 C 13 25.864 0.300 . 2 . . . . 43 LEU CD2 . 11284 1 517 . 1 1 43 43 LEU CG C 13 27.139 0.300 . 1 . . . . 43 LEU CG . 11284 1 518 . 1 1 43 43 LEU N N 15 124.538 0.300 . 1 . . . . 43 LEU N . 11284 1 519 . 1 1 44 44 VAL H H 1 9.016 0.030 . 1 . . . . 44 VAL H . 11284 1 520 . 1 1 44 44 VAL HA H 1 5.467 0.030 . 1 . . . . 44 VAL HA . 11284 1 521 . 1 1 44 44 VAL HB H 1 2.130 0.030 . 1 . . . . 44 VAL HB . 11284 1 522 . 1 1 44 44 VAL HG11 H 1 0.991 0.030 . 1 . . . . 44 VAL HG1 . 11284 1 523 . 1 1 44 44 VAL HG12 H 1 0.991 0.030 . 1 . . . . 44 VAL HG1 . 11284 1 524 . 1 1 44 44 VAL HG13 H 1 0.991 0.030 . 1 . . . . 44 VAL HG1 . 11284 1 525 . 1 1 44 44 VAL HG21 H 1 0.961 0.030 . 1 . . . . 44 VAL HG2 . 11284 1 526 . 1 1 44 44 VAL HG22 H 1 0.961 0.030 . 1 . . . . 44 VAL HG2 . 11284 1 527 . 1 1 44 44 VAL HG23 H 1 0.961 0.030 . 1 . . . . 44 VAL HG2 . 11284 1 528 . 1 1 44 44 VAL C C 13 173.105 0.300 . 1 . . . . 44 VAL C . 11284 1 529 . 1 1 44 44 VAL CA C 13 58.943 0.300 . 1 . . . . 44 VAL CA . 11284 1 530 . 1 1 44 44 VAL CB C 13 36.411 0.300 . 1 . . . . 44 VAL CB . 11284 1 531 . 1 1 44 44 VAL CG1 C 13 21.249 0.300 . 2 . . . . 44 VAL CG1 . 11284 1 532 . 1 1 44 44 VAL CG2 C 13 18.859 0.300 . 2 . . . . 44 VAL CG2 . 11284 1 533 . 1 1 44 44 VAL N N 15 121.629 0.300 . 1 . . . . 44 VAL N . 11284 1 534 . 1 1 45 45 LYS H H 1 8.963 0.030 . 1 . . . . 45 LYS H . 11284 1 535 . 1 1 45 45 LYS HA H 1 5.317 0.030 . 1 . . . . 45 LYS HA . 11284 1 536 . 1 1 45 45 LYS HB2 H 1 1.671 0.030 . 2 . . . . 45 LYS HB2 . 11284 1 537 . 1 1 45 45 LYS HB3 H 1 1.501 0.030 . 2 . . . . 45 LYS HB3 . 11284 1 538 . 1 1 45 45 LYS HD2 H 1 1.643 0.030 . 1 . . . . 45 LYS HD2 . 11284 1 539 . 1 1 45 45 LYS HD3 H 1 1.643 0.030 . 1 . . . . 45 LYS HD3 . 11284 1 540 . 1 1 45 45 LYS HE2 H 1 2.907 0.030 . 1 . . . . 45 LYS HE2 . 11284 1 541 . 1 1 45 45 LYS HE3 H 1 2.907 0.030 . 1 . . . . 45 LYS HE3 . 11284 1 542 . 1 1 45 45 LYS HG2 H 1 1.636 0.030 . 2 . . . . 45 LYS HG2 . 11284 1 543 . 1 1 45 45 LYS HG3 H 1 1.167 0.030 . 2 . . . . 45 LYS HG3 . 11284 1 544 . 1 1 45 45 LYS C C 13 176.213 0.300 . 1 . . . . 45 LYS C . 11284 1 545 . 1 1 45 45 LYS CA C 13 54.501 0.300 . 1 . . . . 45 LYS CA . 11284 1 546 . 1 1 45 45 LYS CB C 13 37.235 0.300 . 1 . . . . 45 LYS CB . 11284 1 547 . 1 1 45 45 LYS CD C 13 29.983 0.300 . 1 . . . . 45 LYS CD . 11284 1 548 . 1 1 45 45 LYS CE C 13 41.825 0.300 . 1 . . . . 45 LYS CE . 11284 1 549 . 1 1 45 45 LYS CG C 13 24.326 0.300 . 1 . . . . 45 LYS CG . 11284 1 550 . 1 1 45 45 LYS N N 15 119.542 0.300 . 1 . . . . 45 LYS N . 11284 1 551 . 1 1 46 46 ASN H H 1 8.847 0.030 . 1 . . . . 46 ASN H . 11284 1 552 . 1 1 46 46 ASN HA H 1 5.015 0.030 . 1 . . . . 46 ASN HA . 11284 1 553 . 1 1 46 46 ASN HB2 H 1 3.759 0.030 . 2 . . . . 46 ASN HB2 . 11284 1 554 . 1 1 46 46 ASN HB3 H 1 2.735 0.030 . 2 . . . . 46 ASN HB3 . 11284 1 555 . 1 1 46 46 ASN HD21 H 1 8.992 0.030 . 2 . . . . 46 ASN HD21 . 11284 1 556 . 1 1 46 46 ASN HD22 H 1 6.583 0.030 . 2 . . . . 46 ASN HD22 . 11284 1 557 . 1 1 46 46 ASN C C 13 177.597 0.300 . 1 . . . . 46 ASN C . 11284 1 558 . 1 1 46 46 ASN CA C 13 51.087 0.300 . 1 . . . . 46 ASN CA . 11284 1 559 . 1 1 46 46 ASN CB C 13 39.790 0.300 . 1 . . . . 46 ASN CB . 11284 1 560 . 1 1 46 46 ASN N N 15 124.965 0.300 . 1 . . . . 46 ASN N . 11284 1 561 . 1 1 46 46 ASN ND2 N 15 111.674 0.300 . 1 . . . . 46 ASN ND2 . 11284 1 562 . 1 1 47 47 GLU H H 1 9.337 0.030 . 1 . . . . 47 GLU H . 11284 1 563 . 1 1 47 47 GLU HA H 1 4.072 0.030 . 1 . . . . 47 GLU HA . 11284 1 564 . 1 1 47 47 GLU HB2 H 1 2.156 0.030 . 1 . . . . 47 GLU HB2 . 11284 1 565 . 1 1 47 47 GLU HB3 H 1 2.156 0.030 . 1 . . . . 47 GLU HB3 . 11284 1 566 . 1 1 47 47 GLU HG2 H 1 2.562 0.030 . 2 . . . . 47 GLU HG2 . 11284 1 567 . 1 1 47 47 GLU HG3 H 1 2.343 0.030 . 2 . . . . 47 GLU HG3 . 11284 1 568 . 1 1 47 47 GLU C C 13 177.403 0.300 . 1 . . . . 47 GLU C . 11284 1 569 . 1 1 47 47 GLU CA C 13 59.446 0.300 . 1 . . . . 47 GLU CA . 11284 1 570 . 1 1 47 47 GLU CB C 13 29.654 0.300 . 1 . . . . 47 GLU CB . 11284 1 571 . 1 1 47 47 GLU CG C 13 37.294 0.300 . 1 . . . . 47 GLU CG . 11284 1 572 . 1 1 47 47 GLU N N 15 120.183 0.300 . 1 . . . . 47 GLU N . 11284 1 573 . 1 1 48 48 ALA H H 1 7.671 0.030 . 1 . . . . 48 ALA H . 11284 1 574 . 1 1 48 48 ALA HA H 1 4.403 0.030 . 1 . . . . 48 ALA HA . 11284 1 575 . 1 1 48 48 ALA HB1 H 1 1.488 0.030 . 1 . . . . 48 ALA HB . 11284 1 576 . 1 1 48 48 ALA HB2 H 1 1.488 0.030 . 1 . . . . 48 ALA HB . 11284 1 577 . 1 1 48 48 ALA HB3 H 1 1.488 0.030 . 1 . . . . 48 ALA HB . 11284 1 578 . 1 1 48 48 ALA C C 13 177.961 0.300 . 1 . . . . 48 ALA C . 11284 1 579 . 1 1 48 48 ALA CA C 13 52.361 0.300 . 1 . . . . 48 ALA CA . 11284 1 580 . 1 1 48 48 ALA CB C 13 18.530 0.300 . 1 . . . . 48 ALA CB . 11284 1 581 . 1 1 48 48 ALA N N 15 120.499 0.300 . 1 . . . . 48 ALA N . 11284 1 582 . 1 1 49 49 GLY H H 1 8.203 0.030 . 1 . . . . 49 GLY H . 11284 1 583 . 1 1 49 49 GLY HA2 H 1 4.345 0.030 . 2 . . . . 49 GLY HA2 . 11284 1 584 . 1 1 49 49 GLY HA3 H 1 3.523 0.030 . 2 . . . . 49 GLY HA3 . 11284 1 585 . 1 1 49 49 GLY C C 13 174.392 0.300 . 1 . . . . 49 GLY C . 11284 1 586 . 1 1 49 49 GLY CA C 13 45.233 0.300 . 1 . . . . 49 GLY CA . 11284 1 587 . 1 1 49 49 GLY N N 15 106.765 0.300 . 1 . . . . 49 GLY N . 11284 1 588 . 1 1 50 50 ARG H H 1 8.243 0.030 . 1 . . . . 50 ARG H . 11284 1 589 . 1 1 50 50 ARG HA H 1 4.482 0.030 . 1 . . . . 50 ARG HA . 11284 1 590 . 1 1 50 50 ARG HB2 H 1 1.889 0.030 . 2 . . . . 50 ARG HB2 . 11284 1 591 . 1 1 50 50 ARG HB3 H 1 1.780 0.030 . 2 . . . . 50 ARG HB3 . 11284 1 592 . 1 1 50 50 ARG HD2 H 1 3.258 0.030 . 1 . . . . 50 ARG HD2 . 11284 1 593 . 1 1 50 50 ARG HD3 H 1 3.258 0.030 . 1 . . . . 50 ARG HD3 . 11284 1 594 . 1 1 50 50 ARG HG2 H 1 1.768 0.030 . 2 . . . . 50 ARG HG2 . 11284 1 595 . 1 1 50 50 ARG HG3 H 1 1.624 0.030 . 2 . . . . 50 ARG HG3 . 11284 1 596 . 1 1 50 50 ARG C C 13 174.562 0.300 . 1 . . . . 50 ARG C . 11284 1 597 . 1 1 50 50 ARG CA C 13 55.637 0.300 . 1 . . . . 50 ARG CA . 11284 1 598 . 1 1 50 50 ARG CB C 13 30.973 0.300 . 1 . . . . 50 ARG CB . 11284 1 599 . 1 1 50 50 ARG CD C 13 43.170 0.300 . 1 . . . . 50 ARG CD . 11284 1 600 . 1 1 50 50 ARG CG C 13 27.842 0.300 . 1 . . . . 50 ARG CG . 11284 1 601 . 1 1 50 50 ARG N N 15 123.341 0.300 . 1 . . . . 50 ARG N . 11284 1 602 . 1 1 51 51 SER H H 1 8.471 0.030 . 1 . . . . 51 SER H . 11284 1 603 . 1 1 51 51 SER HA H 1 6.031 0.030 . 1 . . . . 51 SER HA . 11284 1 604 . 1 1 51 51 SER HB2 H 1 3.725 0.030 . 2 . . . . 51 SER HB2 . 11284 1 605 . 1 1 51 51 SER HB3 H 1 3.561 0.030 . 2 . . . . 51 SER HB3 . 11284 1 606 . 1 1 51 51 SER C C 13 174.416 0.300 . 1 . . . . 51 SER C . 11284 1 607 . 1 1 51 51 SER CA C 13 55.887 0.300 . 1 . . . . 51 SER CA . 11284 1 608 . 1 1 51 51 SER CB C 13 67.231 0.300 . 1 . . . . 51 SER CB . 11284 1 609 . 1 1 51 51 SER N N 15 115.055 0.300 . 1 . . . . 51 SER N . 11284 1 610 . 1 1 52 52 GLY H H 1 8.614 0.030 . 1 . . . . 52 GLY H . 11284 1 611 . 1 1 52 52 GLY HA2 H 1 3.949 0.030 . 1 . . . . 52 GLY HA2 . 11284 1 612 . 1 1 52 52 GLY HA3 H 1 3.949 0.030 . 1 . . . . 52 GLY HA3 . 11284 1 613 . 1 1 52 52 GLY C C 13 170.628 0.300 . 1 . . . . 52 GLY C . 11284 1 614 . 1 1 52 52 GLY CA C 13 45.210 0.300 . 1 . . . . 52 GLY CA . 11284 1 615 . 1 1 52 52 GLY N N 15 107.027 0.300 . 1 . . . . 52 GLY N . 11284 1 616 . 1 1 53 53 TYR H H 1 9.108 0.030 . 1 . . . . 53 TYR H . 11284 1 617 . 1 1 53 53 TYR HA H 1 5.775 0.030 . 1 . . . . 53 TYR HA . 11284 1 618 . 1 1 53 53 TYR HB2 H 1 3.124 0.030 . 2 . . . . 53 TYR HB2 . 11284 1 619 . 1 1 53 53 TYR HB3 H 1 2.763 0.030 . 2 . . . . 53 TYR HB3 . 11284 1 620 . 1 1 53 53 TYR HD1 H 1 7.074 0.030 . 1 . . . . 53 TYR HD1 . 11284 1 621 . 1 1 53 53 TYR HD2 H 1 7.074 0.030 . 1 . . . . 53 TYR HD2 . 11284 1 622 . 1 1 53 53 TYR HE1 H 1 6.846 0.030 . 1 . . . . 53 TYR HE1 . 11284 1 623 . 1 1 53 53 TYR HE2 H 1 6.846 0.030 . 1 . . . . 53 TYR HE2 . 11284 1 624 . 1 1 53 53 TYR C C 13 176.650 0.300 . 1 . . . . 53 TYR C . 11284 1 625 . 1 1 53 53 TYR CA C 13 58.985 0.300 . 1 . . . . 53 TYR CA . 11284 1 626 . 1 1 53 53 TYR CB C 13 41.603 0.300 . 1 . . . . 53 TYR CB . 11284 1 627 . 1 1 53 53 TYR CD1 C 13 133.062 0.300 . 1 . . . . 53 TYR CD1 . 11284 1 628 . 1 1 53 53 TYR CD2 C 13 133.062 0.300 . 1 . . . . 53 TYR CD2 . 11284 1 629 . 1 1 53 53 TYR CE1 C 13 118.596 0.300 . 1 . . . . 53 TYR CE1 . 11284 1 630 . 1 1 53 53 TYR CE2 C 13 118.596 0.300 . 1 . . . . 53 TYR CE2 . 11284 1 631 . 1 1 53 53 TYR N N 15 118.909 0.300 . 1 . . . . 53 TYR N . 11284 1 632 . 1 1 54 54 ILE H H 1 8.884 0.030 . 1 . . . . 54 ILE H . 11284 1 633 . 1 1 54 54 ILE HA H 1 4.662 0.030 . 1 . . . . 54 ILE HA . 11284 1 634 . 1 1 54 54 ILE HB H 1 1.443 0.030 . 1 . . . . 54 ILE HB . 11284 1 635 . 1 1 54 54 ILE HD11 H 1 0.713 0.030 . 1 . . . . 54 ILE HD1 . 11284 1 636 . 1 1 54 54 ILE HD12 H 1 0.713 0.030 . 1 . . . . 54 ILE HD1 . 11284 1 637 . 1 1 54 54 ILE HD13 H 1 0.713 0.030 . 1 . . . . 54 ILE HD1 . 11284 1 638 . 1 1 54 54 ILE HG12 H 1 1.250 0.030 . 2 . . . . 54 ILE HG12 . 11284 1 639 . 1 1 54 54 ILE HG13 H 1 1.066 0.030 . 2 . . . . 54 ILE HG13 . 11284 1 640 . 1 1 54 54 ILE HG21 H 1 1.173 0.030 . 1 . . . . 54 ILE HG2 . 11284 1 641 . 1 1 54 54 ILE HG22 H 1 1.173 0.030 . 1 . . . . 54 ILE HG2 . 11284 1 642 . 1 1 54 54 ILE HG23 H 1 1.173 0.030 . 1 . . . . 54 ILE HG2 . 11284 1 643 . 1 1 54 54 ILE C C 13 172.376 0.300 . 1 . . . . 54 ILE C . 11284 1 644 . 1 1 54 54 ILE CA C 13 58.369 0.300 . 1 . . . . 54 ILE CA . 11284 1 645 . 1 1 54 54 ILE CB C 13 39.766 0.300 . 1 . . . . 54 ILE CB . 11284 1 646 . 1 1 54 54 ILE CD1 C 13 15.715 0.300 . 1 . . . . 54 ILE CD1 . 11284 1 647 . 1 1 54 54 ILE CG1 C 13 24.415 0.300 . 1 . . . . 54 ILE CG1 . 11284 1 648 . 1 1 54 54 ILE CG2 C 13 19.795 0.300 . 1 . . . . 54 ILE CG2 . 11284 1 649 . 1 1 54 54 ILE N N 15 112.136 0.300 . 1 . . . . 54 ILE N . 11284 1 650 . 1 1 55 55 PRO HA H 1 3.343 0.030 . 1 . . . . 55 PRO HA . 11284 1 651 . 1 1 55 55 PRO HB2 H 1 1.438 0.030 . 2 . . . . 55 PRO HB2 . 11284 1 652 . 1 1 55 55 PRO HB3 H 1 1.239 0.030 . 2 . . . . 55 PRO HB3 . 11284 1 653 . 1 1 55 55 PRO HD2 H 1 2.207 0.030 . 2 . . . . 55 PRO HD2 . 11284 1 654 . 1 1 55 55 PRO HD3 H 1 1.837 0.030 . 2 . . . . 55 PRO HD3 . 11284 1 655 . 1 1 55 55 PRO HG2 H 1 1.400 0.030 . 2 . . . . 55 PRO HG2 . 11284 1 656 . 1 1 55 55 PRO HG3 H 1 0.747 0.030 . 2 . . . . 55 PRO HG3 . 11284 1 657 . 1 1 55 55 PRO C C 13 177.403 0.300 . 1 . . . . 55 PRO C . 11284 1 658 . 1 1 55 55 PRO CA C 13 62.005 0.300 . 1 . . . . 55 PRO CA . 11284 1 659 . 1 1 55 55 PRO CB C 13 30.890 0.300 . 1 . . . . 55 PRO CB . 11284 1 660 . 1 1 55 55 PRO CD C 13 48.888 0.300 . 1 . . . . 55 PRO CD . 11284 1 661 . 1 1 55 55 PRO CG C 13 27.360 0.300 . 1 . . . . 55 PRO CG . 11284 1 662 . 1 1 56 56 SER H H 1 7.557 0.030 . 1 . . . . 56 SER H . 11284 1 663 . 1 1 56 56 SER HA H 1 2.665 0.030 . 1 . . . . 56 SER HA . 11284 1 664 . 1 1 56 56 SER HB2 H 1 2.347 0.030 . 2 . . . . 56 SER HB2 . 11284 1 665 . 1 1 56 56 SER HB3 H 1 2.152 0.030 . 2 . . . . 56 SER HB3 . 11284 1 666 . 1 1 56 56 SER C C 13 175.339 0.300 . 1 . . . . 56 SER C . 11284 1 667 . 1 1 56 56 SER CA C 13 60.406 0.300 . 1 . . . . 56 SER CA . 11284 1 668 . 1 1 56 56 SER CB C 13 61.050 0.300 . 1 . . . . 56 SER CB . 11284 1 669 . 1 1 56 56 SER N N 15 115.592 0.300 . 1 . . . . 56 SER N . 11284 1 670 . 1 1 57 57 ASN H H 1 7.489 0.030 . 1 . . . . 57 ASN H . 11284 1 671 . 1 1 57 57 ASN HA H 1 4.442 0.030 . 1 . . . . 57 ASN HA . 11284 1 672 . 1 1 57 57 ASN HB2 H 1 2.950 0.030 . 2 . . . . 57 ASN HB2 . 11284 1 673 . 1 1 57 57 ASN HB3 H 1 2.590 0.030 . 2 . . . . 57 ASN HB3 . 11284 1 674 . 1 1 57 57 ASN HD21 H 1 7.403 0.030 . 2 . . . . 57 ASN HD21 . 11284 1 675 . 1 1 57 57 ASN HD22 H 1 6.590 0.030 . 2 . . . . 57 ASN HD22 . 11284 1 676 . 1 1 57 57 ASN C C 13 175.897 0.300 . 1 . . . . 57 ASN C . 11284 1 677 . 1 1 57 57 ASN CA C 13 54.075 0.300 . 1 . . . . 57 ASN CA . 11284 1 678 . 1 1 57 57 ASN CB C 13 37.153 0.300 . 1 . . . . 57 ASN CB . 11284 1 679 . 1 1 57 57 ASN N N 15 115.373 0.300 . 1 . . . . 57 ASN N . 11284 1 680 . 1 1 57 57 ASN ND2 N 15 111.147 0.300 . 1 . . . . 57 ASN ND2 . 11284 1 681 . 1 1 58 58 ILE H H 1 6.859 0.030 . 1 . . . . 58 ILE H . 11284 1 682 . 1 1 58 58 ILE HA H 1 4.599 0.030 . 1 . . . . 58 ILE HA . 11284 1 683 . 1 1 58 58 ILE HB H 1 2.581 0.030 . 1 . . . . 58 ILE HB . 11284 1 684 . 1 1 58 58 ILE HD11 H 1 0.841 0.030 . 1 . . . . 58 ILE HD1 . 11284 1 685 . 1 1 58 58 ILE HD12 H 1 0.841 0.030 . 1 . . . . 58 ILE HD1 . 11284 1 686 . 1 1 58 58 ILE HD13 H 1 0.841 0.030 . 1 . . . . 58 ILE HD1 . 11284 1 687 . 1 1 58 58 ILE HG12 H 1 1.459 0.030 . 2 . . . . 58 ILE HG12 . 11284 1 688 . 1 1 58 58 ILE HG13 H 1 0.991 0.030 . 2 . . . . 58 ILE HG13 . 11284 1 689 . 1 1 58 58 ILE HG21 H 1 0.796 0.030 . 1 . . . . 58 ILE HG2 . 11284 1 690 . 1 1 58 58 ILE HG22 H 1 0.796 0.030 . 1 . . . . 58 ILE HG2 . 11284 1 691 . 1 1 58 58 ILE HG23 H 1 0.796 0.030 . 1 . . . . 58 ILE HG2 . 11284 1 692 . 1 1 58 58 ILE C C 13 174.197 0.300 . 1 . . . . 58 ILE C . 11284 1 693 . 1 1 58 58 ILE CA C 13 61.419 0.300 . 1 . . . . 58 ILE CA . 11284 1 694 . 1 1 58 58 ILE CB C 13 37.235 0.300 . 1 . . . . 58 ILE CB . 11284 1 695 . 1 1 58 58 ILE CD1 C 13 15.342 0.300 . 1 . . . . 58 ILE CD1 . 11284 1 696 . 1 1 58 58 ILE CG1 C 13 24.957 0.300 . 1 . . . . 58 ILE CG1 . 11284 1 697 . 1 1 58 58 ILE CG2 C 13 17.414 0.300 . 1 . . . . 58 ILE CG2 . 11284 1 698 . 1 1 58 58 ILE N N 15 110.920 0.300 . 1 . . . . 58 ILE N . 11284 1 699 . 1 1 59 59 LEU H H 1 7.033 0.030 . 1 . . . . 59 LEU H . 11284 1 700 . 1 1 59 59 LEU HA H 1 5.045 0.030 . 1 . . . . 59 LEU HA . 11284 1 701 . 1 1 59 59 LEU HB2 H 1 1.637 0.030 . 2 . . . . 59 LEU HB2 . 11284 1 702 . 1 1 59 59 LEU HB3 H 1 1.293 0.030 . 2 . . . . 59 LEU HB3 . 11284 1 703 . 1 1 59 59 LEU HD11 H 1 0.794 0.030 . 1 . . . . 59 LEU HD1 . 11284 1 704 . 1 1 59 59 LEU HD12 H 1 0.794 0.030 . 1 . . . . 59 LEU HD1 . 11284 1 705 . 1 1 59 59 LEU HD13 H 1 0.794 0.030 . 1 . . . . 59 LEU HD1 . 11284 1 706 . 1 1 59 59 LEU HD21 H 1 0.651 0.030 . 1 . . . . 59 LEU HD2 . 11284 1 707 . 1 1 59 59 LEU HD22 H 1 0.651 0.030 . 1 . . . . 59 LEU HD2 . 11284 1 708 . 1 1 59 59 LEU HD23 H 1 0.651 0.030 . 1 . . . . 59 LEU HD2 . 11284 1 709 . 1 1 59 59 LEU HG H 1 1.395 0.030 . 1 . . . . 59 LEU HG . 11284 1 710 . 1 1 59 59 LEU C C 13 175.946 0.300 . 1 . . . . 59 LEU C . 11284 1 711 . 1 1 59 59 LEU CA C 13 53.400 0.300 . 1 . . . . 59 LEU CA . 11284 1 712 . 1 1 59 59 LEU CB C 13 45.311 0.300 . 1 . . . . 59 LEU CB . 11284 1 713 . 1 1 59 59 LEU CD1 C 13 26.688 0.300 . 2 . . . . 59 LEU CD1 . 11284 1 714 . 1 1 59 59 LEU CD2 C 13 24.463 0.300 . 2 . . . . 59 LEU CD2 . 11284 1 715 . 1 1 59 59 LEU CG C 13 26.688 0.300 . 1 . . . . 59 LEU CG . 11284 1 716 . 1 1 59 59 LEU N N 15 119.761 0.300 . 1 . . . . 59 LEU N . 11284 1 717 . 1 1 60 60 GLU H H 1 9.009 0.030 . 1 . . . . 60 GLU H . 11284 1 718 . 1 1 60 60 GLU HA H 1 4.877 0.030 . 1 . . . . 60 GLU HA . 11284 1 719 . 1 1 60 60 GLU HB2 H 1 2.092 0.030 . 2 . . . . 60 GLU HB2 . 11284 1 720 . 1 1 60 60 GLU HB3 H 1 1.849 0.030 . 2 . . . . 60 GLU HB3 . 11284 1 721 . 1 1 60 60 GLU HG2 H 1 2.278 0.030 . 2 . . . . 60 GLU HG2 . 11284 1 722 . 1 1 60 60 GLU HG3 H 1 2.168 0.030 . 2 . . . . 60 GLU HG3 . 11284 1 723 . 1 1 60 60 GLU C C 13 172.619 0.300 . 1 . . . . 60 GLU C . 11284 1 724 . 1 1 60 60 GLU CA C 13 53.362 0.300 . 1 . . . . 60 GLU CA . 11284 1 725 . 1 1 60 60 GLU CB C 13 31.422 0.300 . 1 . . . . 60 GLU CB . 11284 1 726 . 1 1 60 60 GLU CG C 13 35.354 0.300 . 1 . . . . 60 GLU CG . 11284 1 727 . 1 1 60 60 GLU N N 15 119.845 0.300 . 1 . . . . 60 GLU N . 11284 1 728 . 1 1 61 61 PRO HA H 1 4.720 0.030 . 1 . . . . 61 PRO HA . 11284 1 729 . 1 1 61 61 PRO HB2 H 1 2.372 0.030 . 2 . . . . 61 PRO HB2 . 11284 1 730 . 1 1 61 61 PRO HB3 H 1 1.828 0.030 . 2 . . . . 61 PRO HB3 . 11284 1 731 . 1 1 61 61 PRO HD2 H 1 3.784 0.030 . 2 . . . . 61 PRO HD2 . 11284 1 732 . 1 1 61 61 PRO HD3 H 1 3.656 0.030 . 2 . . . . 61 PRO HD3 . 11284 1 733 . 1 1 61 61 PRO HG2 H 1 2.060 0.030 . 2 . . . . 61 PRO HG2 . 11284 1 734 . 1 1 61 61 PRO HG3 H 1 1.894 0.030 . 2 . . . . 61 PRO HG3 . 11284 1 735 . 1 1 61 61 PRO C C 13 176.650 0.300 . 1 . . . . 61 PRO C . 11284 1 736 . 1 1 61 61 PRO CA C 13 63.087 0.300 . 1 . . . . 61 PRO CA . 11284 1 737 . 1 1 61 61 PRO CB C 13 32.209 0.300 . 1 . . . . 61 PRO CB . 11284 1 738 . 1 1 61 61 PRO CD C 13 50.948 0.300 . 1 . . . . 61 PRO CD . 11284 1 739 . 1 1 61 61 PRO CG C 13 27.825 0.300 . 1 . . . . 61 PRO CG . 11284 1 740 . 1 1 62 62 LEU H H 1 8.474 0.030 . 1 . . . . 62 LEU H . 11284 1 741 . 1 1 62 62 LEU HA H 1 4.256 0.030 . 1 . . . . 62 LEU HA . 11284 1 742 . 1 1 62 62 LEU HB2 H 1 1.579 0.030 . 1 . . . . 62 LEU HB2 . 11284 1 743 . 1 1 62 62 LEU HB3 H 1 1.579 0.030 . 1 . . . . 62 LEU HB3 . 11284 1 744 . 1 1 62 62 LEU HD11 H 1 0.832 0.030 . 1 . . . . 62 LEU HD1 . 11284 1 745 . 1 1 62 62 LEU HD12 H 1 0.832 0.030 . 1 . . . . 62 LEU HD1 . 11284 1 746 . 1 1 62 62 LEU HD13 H 1 0.832 0.030 . 1 . . . . 62 LEU HD1 . 11284 1 747 . 1 1 62 62 LEU HD21 H 1 0.881 0.030 . 1 . . . . 62 LEU HD2 . 11284 1 748 . 1 1 62 62 LEU HD22 H 1 0.881 0.030 . 1 . . . . 62 LEU HD2 . 11284 1 749 . 1 1 62 62 LEU HD23 H 1 0.881 0.030 . 1 . . . . 62 LEU HD2 . 11284 1 750 . 1 1 62 62 LEU HG H 1 1.675 0.030 . 1 . . . . 62 LEU HG . 11284 1 751 . 1 1 62 62 LEU C C 13 177.597 0.300 . 1 . . . . 62 LEU C . 11284 1 752 . 1 1 62 62 LEU CA C 13 55.369 0.300 . 1 . . . . 62 LEU CA . 11284 1 753 . 1 1 62 62 LEU CB C 13 42.180 0.300 . 1 . . . . 62 LEU CB . 11284 1 754 . 1 1 62 62 LEU CD1 C 13 23.918 0.300 . 2 . . . . 62 LEU CD1 . 11284 1 755 . 1 1 62 62 LEU CD2 C 13 25.365 0.300 . 2 . . . . 62 LEU CD2 . 11284 1 756 . 1 1 62 62 LEU CG C 13 27.180 0.300 . 1 . . . . 62 LEU CG . 11284 1 757 . 1 1 62 62 LEU N N 15 121.367 0.300 . 1 . . . . 62 LEU N . 11284 1 758 . 1 1 63 63 SER H H 1 8.265 0.030 . 1 . . . . 63 SER H . 11284 1 759 . 1 1 63 63 SER HA H 1 4.500 0.030 . 1 . . . . 63 SER HA . 11284 1 760 . 1 1 63 63 SER HB2 H 1 3.891 0.030 . 1 . . . . 63 SER HB2 . 11284 1 761 . 1 1 63 63 SER HB3 H 1 3.891 0.030 . 1 . . . . 63 SER HB3 . 11284 1 762 . 1 1 63 63 SER C C 13 174.537 0.300 . 1 . . . . 63 SER C . 11284 1 763 . 1 1 63 63 SER CA C 13 58.171 0.300 . 1 . . . . 63 SER CA . 11284 1 764 . 1 1 63 63 SER CB C 13 64.099 0.300 . 1 . . . . 63 SER CB . 11284 1 765 . 1 1 63 63 SER N N 15 116.810 0.300 . 1 . . . . 63 SER N . 11284 1 766 . 1 1 64 64 GLY H H 1 8.271 0.030 . 1 . . . . 64 GLY H . 11284 1 767 . 1 1 64 64 GLY HA2 H 1 4.161 0.030 . 2 . . . . 64 GLY HA2 . 11284 1 768 . 1 1 64 64 GLY HA3 H 1 4.119 0.030 . 2 . . . . 64 GLY HA3 . 11284 1 769 . 1 1 64 64 GLY C C 13 171.842 0.300 . 1 . . . . 64 GLY C . 11284 1 770 . 1 1 64 64 GLY CA C 13 44.724 0.300 . 1 . . . . 64 GLY CA . 11284 1 771 . 1 1 64 64 GLY N N 15 110.547 0.300 . 1 . . . . 64 GLY N . 11284 1 772 . 1 1 65 65 PRO HA H 1 4.490 0.030 . 1 . . . . 65 PRO HA . 11284 1 773 . 1 1 65 65 PRO HB2 H 1 2.314 0.030 . 2 . . . . 65 PRO HB2 . 11284 1 774 . 1 1 65 65 PRO HB3 H 1 1.995 0.030 . 2 . . . . 65 PRO HB3 . 11284 1 775 . 1 1 65 65 PRO HD2 H 1 3.637 0.030 . 1 . . . . 65 PRO HD2 . 11284 1 776 . 1 1 65 65 PRO HD3 H 1 3.637 0.030 . 1 . . . . 65 PRO HD3 . 11284 1 777 . 1 1 65 65 PRO HG2 H 1 2.036 0.030 . 1 . . . . 65 PRO HG2 . 11284 1 778 . 1 1 65 65 PRO HG3 H 1 2.036 0.030 . 1 . . . . 65 PRO HG3 . 11284 1 779 . 1 1 65 65 PRO CA C 13 63.307 0.300 . 1 . . . . 65 PRO CA . 11284 1 780 . 1 1 65 65 PRO CB C 13 32.219 0.300 . 1 . . . . 65 PRO CB . 11284 1 781 . 1 1 65 65 PRO CD C 13 49.811 0.300 . 1 . . . . 65 PRO CD . 11284 1 782 . 1 1 65 65 PRO CG C 13 27.176 0.300 . 1 . . . . 65 PRO CG . 11284 1 stop_ save_