data_10248 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10248 _Entry.Title ; Solution Structure of the HMG_box Domain of Murine Bobby Sox Homolog ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-11-20 _Entry.Accession_date 2008-11-20 _Entry.Last_release_date 2009-11-20 _Entry.Original_release_date 2009-11-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _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 H. Li . . . 10248 2 N. Tochio . . . 10248 3 S. Koshiba . . . 10248 4 M. Inoue . . . 10248 5 T. Kigawa . . . 10248 6 S. Yokoyama . . . 10248 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 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10248 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10248 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 334 10248 '15N chemical shifts' 68 10248 '1H chemical shifts' 518 10248 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 . . 2009-11-20 2008-11-20 original author . 10248 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WZ6 'BMRB Entry Tracking System' 10248 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10248 _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 HMG_box Domain of Murine Bobby Sox Homolog' _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 H. Li . . . 10248 1 2 N. Tochio . . . 10248 1 3 S. Koshiba . . . 10248 1 4 M. Inoue . . . 10248 1 5 T. Kigawa . . . 10248 1 6 S. Yokoyama . . . 10248 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10248 _Assembly.ID 1 _Assembly.Name 'HMG-BOX transcription factor BBX' _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 'HMG_box domain' 1 $entity_1 . . yes native no no . . . 10248 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 . PDB 1WZ6 . . . . . . 10248 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10248 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'HMG_box domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGARRPMNAFLLFCK RHRSLVRQEHPRLDNRGATK ILADWWAVLDPKEKQKYTDM AKEYKDAFMKANPGYRSGPS SG ; _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 82 _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 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 1WZ6 . "Solution Structure Of The Hmg_box Domain Of Murine Bobby Sox Homolog" . . . . . 100.00 82 100.00 100.00 3.74e-53 . . . . 10248 1 2 no GB ELK18141 . "HMG box transcription factor BBX [Pteropus alecto]" . . . . . 84.15 981 97.10 100.00 2.71e-40 . . . . 10248 1 3 no GB ELV09777 . "HMG box transcription factor BBX [Tupaia chinensis]" . . . . . 69.51 778 98.25 98.25 7.47e-31 . . . . 10248 1 4 no REF XP_006905507 . "PREDICTED: LOW QUALITY PROTEIN: HMG box transcription factor BBX [Pteropus alecto]" . . . . . 84.15 910 97.10 100.00 2.32e-40 . . . . 10248 1 5 no REF XP_011383451 . "PREDICTED: HMG box transcription factor BBX isoform X1 [Pteropus vampyrus]" . . . . . 84.15 911 97.10 100.00 2.49e-40 . . . . 10248 1 6 no REF XP_011383519 . "PREDICTED: HMG box transcription factor BBX isoform X1 [Pteropus vampyrus]" . . . . . 84.15 911 97.10 100.00 2.49e-40 . . . . 10248 1 7 no REF XP_011383589 . "PREDICTED: HMG box transcription factor BBX isoform X1 [Pteropus vampyrus]" . . . . . 84.15 911 97.10 100.00 2.49e-40 . . . . 10248 1 8 no REF XP_011383651 . "PREDICTED: HMG box transcription factor BBX isoform X1 [Pteropus vampyrus]" . . . . . 84.15 911 97.10 100.00 2.49e-40 . . . . 10248 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 . 10248 1 2 . SER . 10248 1 3 . SER . 10248 1 4 . GLY . 10248 1 5 . SER . 10248 1 6 . SER . 10248 1 7 . GLY . 10248 1 8 . ALA . 10248 1 9 . ARG . 10248 1 10 . ARG . 10248 1 11 . PRO . 10248 1 12 . MET . 10248 1 13 . ASN . 10248 1 14 . ALA . 10248 1 15 . PHE . 10248 1 16 . LEU . 10248 1 17 . LEU . 10248 1 18 . PHE . 10248 1 19 . CYS . 10248 1 20 . LYS . 10248 1 21 . ARG . 10248 1 22 . HIS . 10248 1 23 . ARG . 10248 1 24 . SER . 10248 1 25 . LEU . 10248 1 26 . VAL . 10248 1 27 . ARG . 10248 1 28 . GLN . 10248 1 29 . GLU . 10248 1 30 . HIS . 10248 1 31 . PRO . 10248 1 32 . ARG . 10248 1 33 . LEU . 10248 1 34 . ASP . 10248 1 35 . ASN . 10248 1 36 . ARG . 10248 1 37 . GLY . 10248 1 38 . ALA . 10248 1 39 . THR . 10248 1 40 . LYS . 10248 1 41 . ILE . 10248 1 42 . LEU . 10248 1 43 . ALA . 10248 1 44 . ASP . 10248 1 45 . TRP . 10248 1 46 . TRP . 10248 1 47 . ALA . 10248 1 48 . VAL . 10248 1 49 . LEU . 10248 1 50 . ASP . 10248 1 51 . PRO . 10248 1 52 . LYS . 10248 1 53 . GLU . 10248 1 54 . LYS . 10248 1 55 . GLN . 10248 1 56 . LYS . 10248 1 57 . TYR . 10248 1 58 . THR . 10248 1 59 . ASP . 10248 1 60 . MET . 10248 1 61 . ALA . 10248 1 62 . LYS . 10248 1 63 . GLU . 10248 1 64 . TYR . 10248 1 65 . LYS . 10248 1 66 . ASP . 10248 1 67 . ALA . 10248 1 68 . PHE . 10248 1 69 . MET . 10248 1 70 . LYS . 10248 1 71 . ALA . 10248 1 72 . ASN . 10248 1 73 . PRO . 10248 1 74 . GLY . 10248 1 75 . TYR . 10248 1 76 . ARG . 10248 1 77 . SER . 10248 1 78 . GLY . 10248 1 79 . PRO . 10248 1 80 . SER . 10248 1 81 . SER . 10248 1 82 . GLY . 10248 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 10248 1 . SER 2 2 10248 1 . SER 3 3 10248 1 . GLY 4 4 10248 1 . SER 5 5 10248 1 . SER 6 6 10248 1 . GLY 7 7 10248 1 . ALA 8 8 10248 1 . ARG 9 9 10248 1 . ARG 10 10 10248 1 . PRO 11 11 10248 1 . MET 12 12 10248 1 . ASN 13 13 10248 1 . ALA 14 14 10248 1 . PHE 15 15 10248 1 . LEU 16 16 10248 1 . LEU 17 17 10248 1 . PHE 18 18 10248 1 . CYS 19 19 10248 1 . LYS 20 20 10248 1 . ARG 21 21 10248 1 . HIS 22 22 10248 1 . ARG 23 23 10248 1 . SER 24 24 10248 1 . LEU 25 25 10248 1 . VAL 26 26 10248 1 . ARG 27 27 10248 1 . GLN 28 28 10248 1 . GLU 29 29 10248 1 . HIS 30 30 10248 1 . PRO 31 31 10248 1 . ARG 32 32 10248 1 . LEU 33 33 10248 1 . ASP 34 34 10248 1 . ASN 35 35 10248 1 . ARG 36 36 10248 1 . GLY 37 37 10248 1 . ALA 38 38 10248 1 . THR 39 39 10248 1 . LYS 40 40 10248 1 . ILE 41 41 10248 1 . LEU 42 42 10248 1 . ALA 43 43 10248 1 . ASP 44 44 10248 1 . TRP 45 45 10248 1 . TRP 46 46 10248 1 . ALA 47 47 10248 1 . VAL 48 48 10248 1 . LEU 49 49 10248 1 . ASP 50 50 10248 1 . PRO 51 51 10248 1 . LYS 52 52 10248 1 . GLU 53 53 10248 1 . LYS 54 54 10248 1 . GLN 55 55 10248 1 . LYS 56 56 10248 1 . TYR 57 57 10248 1 . THR 58 58 10248 1 . ASP 59 59 10248 1 . MET 60 60 10248 1 . ALA 61 61 10248 1 . LYS 62 62 10248 1 . GLU 63 63 10248 1 . TYR 64 64 10248 1 . LYS 65 65 10248 1 . ASP 66 66 10248 1 . ALA 67 67 10248 1 . PHE 68 68 10248 1 . MET 69 69 10248 1 . LYS 70 70 10248 1 . ALA 71 71 10248 1 . ASN 72 72 10248 1 . PRO 73 73 10248 1 . GLY 74 74 10248 1 . TYR 75 75 10248 1 . ARG 76 76 10248 1 . SER 77 77 10248 1 . GLY 78 78 10248 1 . PRO 79 79 10248 1 . SER 80 80 10248 1 . SER 81 81 10248 1 . GLY 82 82 10248 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 10248 _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 . 10090 organism . 'Mus musculus' mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 10248 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 10248 _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' . . . . . . . . . . . . . . . . . . . plasmid . . P040719-04 . . . . . . 10248 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10248 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'HMG_box domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.55 . . mM . . . . 10248 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10248 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10248 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10248 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10248 1 6 H2O . . . . . . solvent 90 . . % . . . . 10248 1 7 D2O . . . . . . solvent 10 . . % . . . . 10248 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 10248 _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 10248 1 pH 7.0 0.05 pH 10248 1 pressure 1 0.001 atm 10248 1 temperature 298 0.1 K 10248 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10248 _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 . . 10248 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10248 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10248 _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.' . . 10248 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10248 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10248 _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.' . . 10248 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10248 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10248 _Software.ID 4 _Software.Name Kujira _Software.Version 0.913 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10248 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10248 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10248 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guentert, P.' . . 10248 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10248 5 'structure solution' 10248 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 10248 _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 10248 _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 . . . 10248 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 10248 _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 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10248 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10248 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 10248 _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 . . . . . . . . . 10248 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10248 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10248 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 10248 _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 13C-separated NOESY' 1 $sample_1 isotropic 10248 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10248 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 7 7 GLY HA2 H 1 3.967 0.030 . 1 . . . . 7 GLY HA2 . 10248 1 2 . 1 1 7 7 GLY HA3 H 1 3.967 0.030 . 1 . . . . 7 GLY HA3 . 10248 1 3 . 1 1 7 7 GLY C C 13 173.907 0.300 . 1 . . . . 7 GLY C . 10248 1 4 . 1 1 7 7 GLY CA C 13 45.273 0.300 . 1 . . . . 7 GLY CA . 10248 1 5 . 1 1 8 8 ALA H H 1 8.092 0.030 . 1 . . . . 8 ALA H . 10248 1 6 . 1 1 8 8 ALA HA H 1 4.335 0.030 . 1 . . . . 8 ALA HA . 10248 1 7 . 1 1 8 8 ALA HB1 H 1 1.405 0.030 . 1 . . . . 8 ALA HB . 10248 1 8 . 1 1 8 8 ALA HB2 H 1 1.405 0.030 . 1 . . . . 8 ALA HB . 10248 1 9 . 1 1 8 8 ALA HB3 H 1 1.405 0.030 . 1 . . . . 8 ALA HB . 10248 1 10 . 1 1 8 8 ALA C C 13 177.772 0.300 . 1 . . . . 8 ALA C . 10248 1 11 . 1 1 8 8 ALA CA C 13 52.468 0.300 . 1 . . . . 8 ALA CA . 10248 1 12 . 1 1 8 8 ALA CB C 13 19.404 0.300 . 1 . . . . 8 ALA CB . 10248 1 13 . 1 1 8 8 ALA N N 15 123.589 0.300 . 1 . . . . 8 ALA N . 10248 1 14 . 1 1 9 9 ARG H H 1 8.298 0.030 . 1 . . . . 9 ARG H . 10248 1 15 . 1 1 9 9 ARG HA H 1 4.348 0.030 . 1 . . . . 9 ARG HA . 10248 1 16 . 1 1 9 9 ARG HB2 H 1 1.776 0.030 . 2 . . . . 9 ARG HB2 . 10248 1 17 . 1 1 9 9 ARG HB3 H 1 1.866 0.030 . 2 . . . . 9 ARG HB3 . 10248 1 18 . 1 1 9 9 ARG HD2 H 1 3.183 0.030 . 1 . . . . 9 ARG HD2 . 10248 1 19 . 1 1 9 9 ARG HD3 H 1 3.183 0.030 . 1 . . . . 9 ARG HD3 . 10248 1 20 . 1 1 9 9 ARG HG2 H 1 1.671 0.030 . 1 . . . . 9 ARG HG2 . 10248 1 21 . 1 1 9 9 ARG HG3 H 1 1.671 0.030 . 1 . . . . 9 ARG HG3 . 10248 1 22 . 1 1 9 9 ARG C C 13 175.894 0.300 . 1 . . . . 9 ARG C . 10248 1 23 . 1 1 9 9 ARG CA C 13 55.999 0.300 . 1 . . . . 9 ARG CA . 10248 1 24 . 1 1 9 9 ARG CB C 13 30.813 0.300 . 1 . . . . 9 ARG CB . 10248 1 25 . 1 1 9 9 ARG CD C 13 43.279 0.300 . 1 . . . . 9 ARG CD . 10248 1 26 . 1 1 9 9 ARG CG C 13 27.288 0.300 . 1 . . . . 9 ARG CG . 10248 1 27 . 1 1 9 9 ARG N N 15 120.366 0.300 . 1 . . . . 9 ARG N . 10248 1 28 . 1 1 10 10 ARG H H 1 8.212 0.030 . 1 . . . . 10 ARG H . 10248 1 29 . 1 1 10 10 ARG HA H 1 4.468 0.030 . 1 . . . . 10 ARG HA . 10248 1 30 . 1 1 10 10 ARG HB2 H 1 1.798 0.030 . 2 . . . . 10 ARG HB2 . 10248 1 31 . 1 1 10 10 ARG HB3 H 1 1.674 0.030 . 2 . . . . 10 ARG HB3 . 10248 1 32 . 1 1 10 10 ARG HD2 H 1 3.139 0.030 . 1 . . . . 10 ARG HD2 . 10248 1 33 . 1 1 10 10 ARG HD3 H 1 3.139 0.030 . 1 . . . . 10 ARG HD3 . 10248 1 34 . 1 1 10 10 ARG HG2 H 1 1.613 0.030 . 1 . . . . 10 ARG HG2 . 10248 1 35 . 1 1 10 10 ARG HG3 H 1 1.613 0.030 . 1 . . . . 10 ARG HG3 . 10248 1 36 . 1 1 10 10 ARG C C 13 173.810 0.300 . 1 . . . . 10 ARG C . 10248 1 37 . 1 1 10 10 ARG CA C 13 53.783 0.300 . 1 . . . . 10 ARG CA . 10248 1 38 . 1 1 10 10 ARG CB C 13 30.384 0.300 . 1 . . . . 10 ARG CB . 10248 1 39 . 1 1 10 10 ARG CD C 13 43.508 0.300 . 1 . . . . 10 ARG CD . 10248 1 40 . 1 1 10 10 ARG CG C 13 26.807 0.300 . 1 . . . . 10 ARG CG . 10248 1 41 . 1 1 10 10 ARG N N 15 122.690 0.300 . 1 . . . . 10 ARG N . 10248 1 42 . 1 1 11 11 PRO HA H 1 4.322 0.030 . 1 . . . . 11 PRO HA . 10248 1 43 . 1 1 11 11 PRO HB2 H 1 2.131 0.030 . 2 . . . . 11 PRO HB2 . 10248 1 44 . 1 1 11 11 PRO HB3 H 1 1.890 0.030 . 2 . . . . 11 PRO HB3 . 10248 1 45 . 1 1 11 11 PRO HD2 H 1 3.353 0.030 . 2 . . . . 11 PRO HD2 . 10248 1 46 . 1 1 11 11 PRO HD3 H 1 3.493 0.030 . 2 . . . . 11 PRO HD3 . 10248 1 47 . 1 1 11 11 PRO HG2 H 1 1.808 0.030 . 2 . . . . 11 PRO HG2 . 10248 1 48 . 1 1 11 11 PRO HG3 H 1 1.979 0.030 . 2 . . . . 11 PRO HG3 . 10248 1 49 . 1 1 11 11 PRO C C 13 176.427 0.300 . 1 . . . . 11 PRO C . 10248 1 50 . 1 1 11 11 PRO CA C 13 62.905 0.300 . 1 . . . . 11 PRO CA . 10248 1 51 . 1 1 11 11 PRO CB C 13 31.929 0.300 . 1 . . . . 11 PRO CB . 10248 1 52 . 1 1 11 11 PRO CD C 13 50.206 0.300 . 1 . . . . 11 PRO CD . 10248 1 53 . 1 1 11 11 PRO CG C 13 27.405 0.300 . 1 . . . . 11 PRO CG . 10248 1 54 . 1 1 12 12 MET H H 1 8.237 0.030 . 1 . . . . 12 MET H . 10248 1 55 . 1 1 12 12 MET HA H 1 4.441 0.030 . 1 . . . . 12 MET HA . 10248 1 56 . 1 1 12 12 MET HB2 H 1 1.904 0.030 . 1 . . . . 12 MET HB2 . 10248 1 57 . 1 1 12 12 MET HB3 H 1 1.904 0.030 . 1 . . . . 12 MET HB3 . 10248 1 58 . 1 1 12 12 MET HE1 H 1 1.897 0.030 . 1 . . . . 12 MET HE . 10248 1 59 . 1 1 12 12 MET HE2 H 1 1.897 0.030 . 1 . . . . 12 MET HE . 10248 1 60 . 1 1 12 12 MET HE3 H 1 1.897 0.030 . 1 . . . . 12 MET HE . 10248 1 61 . 1 1 12 12 MET HG2 H 1 2.420 0.030 . 1 . . . . 12 MET HG2 . 10248 1 62 . 1 1 12 12 MET HG3 H 1 2.420 0.030 . 1 . . . . 12 MET HG3 . 10248 1 63 . 1 1 12 12 MET C C 13 175.094 0.300 . 1 . . . . 12 MET C . 10248 1 64 . 1 1 12 12 MET CA C 13 55.400 0.300 . 1 . . . . 12 MET CA . 10248 1 65 . 1 1 12 12 MET CB C 13 33.327 0.300 . 1 . . . . 12 MET CB . 10248 1 66 . 1 1 12 12 MET CE C 13 16.895 0.300 . 1 . . . . 12 MET CE . 10248 1 67 . 1 1 12 12 MET CG C 13 32.093 0.300 . 1 . . . . 12 MET CG . 10248 1 68 . 1 1 12 12 MET N N 15 120.543 0.300 . 1 . . . . 12 MET N . 10248 1 69 . 1 1 13 13 ASN H H 1 7.399 0.030 . 1 . . . . 13 ASN H . 10248 1 70 . 1 1 13 13 ASN HA H 1 4.650 0.030 . 1 . . . . 13 ASN HA . 10248 1 71 . 1 1 13 13 ASN HB2 H 1 3.184 0.030 . 2 . . . . 13 ASN HB2 . 10248 1 72 . 1 1 13 13 ASN HB3 H 1 2.915 0.030 . 2 . . . . 13 ASN HB3 . 10248 1 73 . 1 1 13 13 ASN HD21 H 1 7.615 0.030 . 2 . . . . 13 ASN HD21 . 10248 1 74 . 1 1 13 13 ASN HD22 H 1 6.905 0.030 . 2 . . . . 13 ASN HD22 . 10248 1 75 . 1 1 13 13 ASN C C 13 174.743 0.300 . 1 . . . . 13 ASN C . 10248 1 76 . 1 1 13 13 ASN CA C 13 52.456 0.300 . 1 . . . . 13 ASN CA . 10248 1 77 . 1 1 13 13 ASN CB C 13 39.513 0.300 . 1 . . . . 13 ASN CB . 10248 1 78 . 1 1 13 13 ASN N N 15 118.399 0.300 . 1 . . . . 13 ASN N . 10248 1 79 . 1 1 13 13 ASN ND2 N 15 112.424 0.300 . 1 . . . . 13 ASN ND2 . 10248 1 80 . 1 1 14 14 ALA H H 1 8.681 0.030 . 1 . . . . 14 ALA H . 10248 1 81 . 1 1 14 14 ALA HA H 1 3.964 0.030 . 1 . . . . 14 ALA HA . 10248 1 82 . 1 1 14 14 ALA HB1 H 1 1.671 0.030 . 1 . . . . 14 ALA HB . 10248 1 83 . 1 1 14 14 ALA HB2 H 1 1.671 0.030 . 1 . . . . 14 ALA HB . 10248 1 84 . 1 1 14 14 ALA HB3 H 1 1.671 0.030 . 1 . . . . 14 ALA HB . 10248 1 85 . 1 1 14 14 ALA C C 13 177.736 0.300 . 1 . . . . 14 ALA C . 10248 1 86 . 1 1 14 14 ALA CA C 13 56.221 0.300 . 1 . . . . 14 ALA CA . 10248 1 87 . 1 1 14 14 ALA CB C 13 19.568 0.300 . 1 . . . . 14 ALA CB . 10248 1 88 . 1 1 14 14 ALA N N 15 122.169 0.300 . 1 . . . . 14 ALA N . 10248 1 89 . 1 1 15 15 PHE H H 1 8.002 0.030 . 1 . . . . 15 PHE H . 10248 1 90 . 1 1 15 15 PHE HA H 1 2.866 0.030 . 1 . . . . 15 PHE HA . 10248 1 91 . 1 1 15 15 PHE HB2 H 1 2.524 0.030 . 2 . . . . 15 PHE HB2 . 10248 1 92 . 1 1 15 15 PHE HB3 H 1 2.255 0.030 . 2 . . . . 15 PHE HB3 . 10248 1 93 . 1 1 15 15 PHE HD1 H 1 6.375 0.030 . 1 . . . . 15 PHE HD1 . 10248 1 94 . 1 1 15 15 PHE HD2 H 1 6.375 0.030 . 1 . . . . 15 PHE HD2 . 10248 1 95 . 1 1 15 15 PHE HE1 H 1 7.084 0.030 . 1 . . . . 15 PHE HE1 . 10248 1 96 . 1 1 15 15 PHE HE2 H 1 7.084 0.030 . 1 . . . . 15 PHE HE2 . 10248 1 97 . 1 1 15 15 PHE HZ H 1 7.001 0.030 . 1 . . . . 15 PHE HZ . 10248 1 98 . 1 1 15 15 PHE C C 13 177.821 0.300 . 1 . . . . 15 PHE C . 10248 1 99 . 1 1 15 15 PHE CA C 13 59.132 0.300 . 1 . . . . 15 PHE CA . 10248 1 100 . 1 1 15 15 PHE CB C 13 38.239 0.300 . 1 . . . . 15 PHE CB . 10248 1 101 . 1 1 15 15 PHE CD1 C 13 131.948 0.300 . 1 . . . . 15 PHE CD1 . 10248 1 102 . 1 1 15 15 PHE CD2 C 13 131.948 0.300 . 1 . . . . 15 PHE CD2 . 10248 1 103 . 1 1 15 15 PHE CE1 C 13 131.064 0.300 . 1 . . . . 15 PHE CE1 . 10248 1 104 . 1 1 15 15 PHE CE2 C 13 131.064 0.300 . 1 . . . . 15 PHE CE2 . 10248 1 105 . 1 1 15 15 PHE CZ C 13 129.673 0.300 . 1 . . . . 15 PHE CZ . 10248 1 106 . 1 1 15 15 PHE N N 15 116.867 0.300 . 1 . . . . 15 PHE N . 10248 1 107 . 1 1 16 16 LEU H H 1 8.264 0.030 . 1 . . . . 16 LEU H . 10248 1 108 . 1 1 16 16 LEU HA H 1 3.642 0.030 . 1 . . . . 16 LEU HA . 10248 1 109 . 1 1 16 16 LEU HB2 H 1 1.726 0.030 . 2 . . . . 16 LEU HB2 . 10248 1 110 . 1 1 16 16 LEU HB3 H 1 1.458 0.030 . 2 . . . . 16 LEU HB3 . 10248 1 111 . 1 1 16 16 LEU HD11 H 1 0.923 0.030 . 1 . . . . 16 LEU HD1 . 10248 1 112 . 1 1 16 16 LEU HD12 H 1 0.923 0.030 . 1 . . . . 16 LEU HD1 . 10248 1 113 . 1 1 16 16 LEU HD13 H 1 0.923 0.030 . 1 . . . . 16 LEU HD1 . 10248 1 114 . 1 1 16 16 LEU HD21 H 1 0.827 0.030 . 1 . . . . 16 LEU HD2 . 10248 1 115 . 1 1 16 16 LEU HD22 H 1 0.827 0.030 . 1 . . . . 16 LEU HD2 . 10248 1 116 . 1 1 16 16 LEU HD23 H 1 0.827 0.030 . 1 . . . . 16 LEU HD2 . 10248 1 117 . 1 1 16 16 LEU HG H 1 1.765 0.030 . 1 . . . . 16 LEU HG . 10248 1 118 . 1 1 16 16 LEU C C 13 180.354 0.300 . 1 . . . . 16 LEU C . 10248 1 119 . 1 1 16 16 LEU CA C 13 58.236 0.300 . 1 . . . . 16 LEU CA . 10248 1 120 . 1 1 16 16 LEU CB C 13 41.365 0.300 . 1 . . . . 16 LEU CB . 10248 1 121 . 1 1 16 16 LEU CD1 C 13 25.266 0.300 . 2 . . . . 16 LEU CD1 . 10248 1 122 . 1 1 16 16 LEU CD2 C 13 22.916 0.300 . 2 . . . . 16 LEU CD2 . 10248 1 123 . 1 1 16 16 LEU CG C 13 27.158 0.300 . 1 . . . . 16 LEU CG . 10248 1 124 . 1 1 16 16 LEU N N 15 120.647 0.300 . 1 . . . . 16 LEU N . 10248 1 125 . 1 1 17 17 LEU H H 1 7.977 0.030 . 1 . . . . 17 LEU H . 10248 1 126 . 1 1 17 17 LEU HA H 1 4.065 0.030 . 1 . . . . 17 LEU HA . 10248 1 127 . 1 1 17 17 LEU HB2 H 1 2.051 0.030 . 2 . . . . 17 LEU HB2 . 10248 1 128 . 1 1 17 17 LEU HB3 H 1 1.867 0.030 . 2 . . . . 17 LEU HB3 . 10248 1 129 . 1 1 17 17 LEU HD11 H 1 0.938 0.030 . 1 . . . . 17 LEU HD1 . 10248 1 130 . 1 1 17 17 LEU HD12 H 1 0.938 0.030 . 1 . . . . 17 LEU HD1 . 10248 1 131 . 1 1 17 17 LEU HD13 H 1 0.938 0.030 . 1 . . . . 17 LEU HD1 . 10248 1 132 . 1 1 17 17 LEU HD21 H 1 0.925 0.030 . 1 . . . . 17 LEU HD2 . 10248 1 133 . 1 1 17 17 LEU HD22 H 1 0.925 0.030 . 1 . . . . 17 LEU HD2 . 10248 1 134 . 1 1 17 17 LEU HD23 H 1 0.925 0.030 . 1 . . . . 17 LEU HD2 . 10248 1 135 . 1 1 17 17 LEU HG H 1 1.763 0.030 . 1 . . . . 17 LEU HG . 10248 1 136 . 1 1 17 17 LEU C C 13 178.984 0.300 . 1 . . . . 17 LEU C . 10248 1 137 . 1 1 17 17 LEU CA C 13 58.165 0.300 . 1 . . . . 17 LEU CA . 10248 1 138 . 1 1 17 17 LEU CB C 13 41.693 0.300 . 1 . . . . 17 LEU CB . 10248 1 139 . 1 1 17 17 LEU CD1 C 13 25.107 0.300 . 2 . . . . 17 LEU CD1 . 10248 1 140 . 1 1 17 17 LEU CD2 C 13 24.446 0.300 . 2 . . . . 17 LEU CD2 . 10248 1 141 . 1 1 17 17 LEU CG C 13 27.276 0.300 . 1 . . . . 17 LEU CG . 10248 1 142 . 1 1 17 17 LEU N N 15 121.855 0.300 . 1 . . . . 17 LEU N . 10248 1 143 . 1 1 18 18 PHE H H 1 8.136 0.030 . 1 . . . . 18 PHE H . 10248 1 144 . 1 1 18 18 PHE HA H 1 3.769 0.030 . 1 . . . . 18 PHE HA . 10248 1 145 . 1 1 18 18 PHE HB2 H 1 2.264 0.030 . 2 . . . . 18 PHE HB2 . 10248 1 146 . 1 1 18 18 PHE HB3 H 1 2.870 0.030 . 2 . . . . 18 PHE HB3 . 10248 1 147 . 1 1 18 18 PHE HD1 H 1 6.728 0.030 . 1 . . . . 18 PHE HD1 . 10248 1 148 . 1 1 18 18 PHE HD2 H 1 6.728 0.030 . 1 . . . . 18 PHE HD2 . 10248 1 149 . 1 1 18 18 PHE HZ H 1 6.695 0.030 . 1 . . . . 18 PHE HZ . 10248 1 150 . 1 1 18 18 PHE C C 13 179.020 0.300 . 1 . . . . 18 PHE C . 10248 1 151 . 1 1 18 18 PHE CA C 13 62.333 0.300 . 1 . . . . 18 PHE CA . 10248 1 152 . 1 1 18 18 PHE CB C 13 39.122 0.300 . 1 . . . . 18 PHE CB . 10248 1 153 . 1 1 18 18 PHE CD1 C 13 131.921 0.300 . 1 . . . . 18 PHE CD1 . 10248 1 154 . 1 1 18 18 PHE CD2 C 13 131.921 0.300 . 1 . . . . 18 PHE CD2 . 10248 1 155 . 1 1 18 18 PHE CZ C 13 128.875 0.300 . 1 . . . . 18 PHE CZ . 10248 1 156 . 1 1 18 18 PHE N N 15 122.907 0.300 . 1 . . . . 18 PHE N . 10248 1 157 . 1 1 19 19 CYS H H 1 8.520 0.030 . 1 . . . . 19 CYS H . 10248 1 158 . 1 1 19 19 CYS HA H 1 3.728 0.030 . 1 . . . . 19 CYS HA . 10248 1 159 . 1 1 19 19 CYS HB2 H 1 2.834 0.030 . 2 . . . . 19 CYS HB2 . 10248 1 160 . 1 1 19 19 CYS HB3 H 1 2.339 0.030 . 2 . . . . 19 CYS HB3 . 10248 1 161 . 1 1 19 19 CYS C C 13 176.136 0.300 . 1 . . . . 19 CYS C . 10248 1 162 . 1 1 19 19 CYS CA C 13 64.313 0.300 . 1 . . . . 19 CYS CA . 10248 1 163 . 1 1 19 19 CYS CB C 13 26.577 0.300 . 1 . . . . 19 CYS CB . 10248 1 164 . 1 1 19 19 CYS N N 15 119.069 0.300 . 1 . . . . 19 CYS N . 10248 1 165 . 1 1 20 20 LYS H H 1 7.969 0.030 . 1 . . . . 20 LYS H . 10248 1 166 . 1 1 20 20 LYS HA H 1 3.953 0.030 . 1 . . . . 20 LYS HA . 10248 1 167 . 1 1 20 20 LYS HB2 H 1 1.932 0.030 . 1 . . . . 20 LYS HB2 . 10248 1 168 . 1 1 20 20 LYS HB3 H 1 1.932 0.030 . 1 . . . . 20 LYS HB3 . 10248 1 169 . 1 1 20 20 LYS HD2 H 1 1.645 0.030 . 1 . . . . 20 LYS HD2 . 10248 1 170 . 1 1 20 20 LYS HD3 H 1 1.645 0.030 . 1 . . . . 20 LYS HD3 . 10248 1 171 . 1 1 20 20 LYS HE2 H 1 2.975 0.030 . 1 . . . . 20 LYS HE2 . 10248 1 172 . 1 1 20 20 LYS HE3 H 1 2.975 0.030 . 1 . . . . 20 LYS HE3 . 10248 1 173 . 1 1 20 20 LYS HG2 H 1 1.435 0.030 . 2 . . . . 20 LYS HG2 . 10248 1 174 . 1 1 20 20 LYS HG3 H 1 1.535 0.030 . 2 . . . . 20 LYS HG3 . 10248 1 175 . 1 1 20 20 LYS C C 13 179.133 0.300 . 1 . . . . 20 LYS C . 10248 1 176 . 1 1 20 20 LYS CA C 13 59.295 0.300 . 1 . . . . 20 LYS CA . 10248 1 177 . 1 1 20 20 LYS CB C 13 32.111 0.300 . 1 . . . . 20 LYS CB . 10248 1 178 . 1 1 20 20 LYS CD C 13 29.379 0.300 . 1 . . . . 20 LYS CD . 10248 1 179 . 1 1 20 20 LYS CE C 13 42.173 0.300 . 1 . . . . 20 LYS CE . 10248 1 180 . 1 1 20 20 LYS CG C 13 24.855 0.300 . 1 . . . . 20 LYS CG . 10248 1 181 . 1 1 20 20 LYS N N 15 119.888 0.300 . 1 . . . . 20 LYS N . 10248 1 182 . 1 1 21 21 ARG H H 1 7.493 0.030 . 1 . . . . 21 ARG H . 10248 1 183 . 1 1 21 21 ARG HA H 1 4.166 0.030 . 1 . . . . 21 ARG HA . 10248 1 184 . 1 1 21 21 ARG HB2 H 1 1.821 0.030 . 2 . . . . 21 ARG HB2 . 10248 1 185 . 1 1 21 21 ARG HB3 H 1 1.645 0.030 . 2 . . . . 21 ARG HB3 . 10248 1 186 . 1 1 21 21 ARG HD2 H 1 3.267 0.030 . 2 . . . . 21 ARG HD2 . 10248 1 187 . 1 1 21 21 ARG HD3 H 1 3.212 0.030 . 2 . . . . 21 ARG HD3 . 10248 1 188 . 1 1 21 21 ARG HG2 H 1 1.455 0.030 . 1 . . . . 21 ARG HG2 . 10248 1 189 . 1 1 21 21 ARG HG3 H 1 1.455 0.030 . 1 . . . . 21 ARG HG3 . 10248 1 190 . 1 1 21 21 ARG C C 13 177.239 0.300 . 1 . . . . 21 ARG C . 10248 1 191 . 1 1 21 21 ARG CA C 13 57.575 0.300 . 1 . . . . 21 ARG CA . 10248 1 192 . 1 1 21 21 ARG CB C 13 30.137 0.300 . 1 . . . . 21 ARG CB . 10248 1 193 . 1 1 21 21 ARG CD C 13 42.950 0.300 . 1 . . . . 21 ARG CD . 10248 1 194 . 1 1 21 21 ARG CG C 13 27.144 0.300 . 1 . . . . 21 ARG CG . 10248 1 195 . 1 1 21 21 ARG N N 15 116.105 0.300 . 1 . . . . 21 ARG N . 10248 1 196 . 1 1 22 22 HIS H H 1 7.354 0.030 . 1 . . . . 22 HIS H . 10248 1 197 . 1 1 22 22 HIS HA H 1 4.706 0.030 . 1 . . . . 22 HIS HA . 10248 1 198 . 1 1 22 22 HIS HB2 H 1 3.264 0.030 . 2 . . . . 22 HIS HB2 . 10248 1 199 . 1 1 22 22 HIS HB3 H 1 2.095 0.030 . 2 . . . . 22 HIS HB3 . 10248 1 200 . 1 1 22 22 HIS HE1 H 1 7.728 0.030 . 1 . . . . 22 HIS HE1 . 10248 1 201 . 1 1 22 22 HIS C C 13 175.627 0.300 . 1 . . . . 22 HIS C . 10248 1 202 . 1 1 22 22 HIS CA C 13 58.593 0.300 . 1 . . . . 22 HIS CA . 10248 1 203 . 1 1 22 22 HIS CB C 13 30.754 0.300 . 1 . . . . 22 HIS CB . 10248 1 204 . 1 1 22 22 HIS CE1 C 13 138.239 0.300 . 1 . . . . 22 HIS CE1 . 10248 1 205 . 1 1 22 22 HIS N N 15 113.808 0.300 . 1 . . . . 22 HIS N . 10248 1 206 . 1 1 23 23 ARG H H 1 8.372 0.030 . 1 . . . . 23 ARG H . 10248 1 207 . 1 1 23 23 ARG HA H 1 3.793 0.030 . 1 . . . . 23 ARG HA . 10248 1 208 . 1 1 23 23 ARG HB2 H 1 1.824 0.030 . 2 . . . . 23 ARG HB2 . 10248 1 209 . 1 1 23 23 ARG HB3 H 1 2.033 0.030 . 2 . . . . 23 ARG HB3 . 10248 1 210 . 1 1 23 23 ARG HD2 H 1 3.315 0.030 . 2 . . . . 23 ARG HD2 . 10248 1 211 . 1 1 23 23 ARG HD3 H 1 3.045 0.030 . 2 . . . . 23 ARG HD3 . 10248 1 212 . 1 1 23 23 ARG HG2 H 1 1.596 0.030 . 2 . . . . 23 ARG HG2 . 10248 1 213 . 1 1 23 23 ARG HG3 H 1 1.443 0.030 . 2 . . . . 23 ARG HG3 . 10248 1 214 . 1 1 23 23 ARG C C 13 177.930 0.300 . 1 . . . . 23 ARG C . 10248 1 215 . 1 1 23 23 ARG CA C 13 60.747 0.300 . 1 . . . . 23 ARG CA . 10248 1 216 . 1 1 23 23 ARG CB C 13 29.251 0.300 . 1 . . . . 23 ARG CB . 10248 1 217 . 1 1 23 23 ARG CD C 13 42.749 0.300 . 1 . . . . 23 ARG CD . 10248 1 218 . 1 1 23 23 ARG CG C 13 27.060 0.300 . 1 . . . . 23 ARG CG . 10248 1 219 . 1 1 23 23 ARG N N 15 123.560 0.300 . 1 . . . . 23 ARG N . 10248 1 220 . 1 1 24 24 SER HA H 1 4.163 0.030 . 1 . . . . 24 SER HA . 10248 1 221 . 1 1 24 24 SER HB2 H 1 3.917 0.030 . 1 . . . . 24 SER HB2 . 10248 1 222 . 1 1 24 24 SER HB3 H 1 3.917 0.030 . 1 . . . . 24 SER HB3 . 10248 1 223 . 1 1 24 24 SER CA C 13 61.523 0.300 . 1 . . . . 24 SER CA . 10248 1 224 . 1 1 24 24 SER CB C 13 62.116 0.300 . 1 . . . . 24 SER CB . 10248 1 225 . 1 1 25 25 LEU H H 1 7.504 0.030 . 1 . . . . 25 LEU H . 10248 1 226 . 1 1 25 25 LEU HA H 1 4.265 0.030 . 1 . . . . 25 LEU HA . 10248 1 227 . 1 1 25 25 LEU HB2 H 1 2.044 0.030 . 1 . . . . 25 LEU HB2 . 10248 1 228 . 1 1 25 25 LEU HB3 H 1 2.044 0.030 . 1 . . . . 25 LEU HB3 . 10248 1 229 . 1 1 25 25 LEU HD11 H 1 1.036 0.030 . 1 . . . . 25 LEU HD1 . 10248 1 230 . 1 1 25 25 LEU HD12 H 1 1.036 0.030 . 1 . . . . 25 LEU HD1 . 10248 1 231 . 1 1 25 25 LEU HD13 H 1 1.036 0.030 . 1 . . . . 25 LEU HD1 . 10248 1 232 . 1 1 25 25 LEU HD21 H 1 0.995 0.030 . 1 . . . . 25 LEU HD2 . 10248 1 233 . 1 1 25 25 LEU HD22 H 1 0.995 0.030 . 1 . . . . 25 LEU HD2 . 10248 1 234 . 1 1 25 25 LEU HD23 H 1 0.995 0.030 . 1 . . . . 25 LEU HD2 . 10248 1 235 . 1 1 25 25 LEU HG H 1 1.785 0.030 . 1 . . . . 25 LEU HG . 10248 1 236 . 1 1 25 25 LEU C C 13 179.336 0.300 . 1 . . . . 25 LEU C . 10248 1 237 . 1 1 25 25 LEU CA C 13 57.837 0.300 . 1 . . . . 25 LEU CA . 10248 1 238 . 1 1 25 25 LEU CB C 13 41.470 0.300 . 1 . . . . 25 LEU CB . 10248 1 239 . 1 1 25 25 LEU CD1 C 13 24.444 0.300 . 2 . . . . 25 LEU CD1 . 10248 1 240 . 1 1 25 25 LEU CD2 C 13 24.674 0.300 . 2 . . . . 25 LEU CD2 . 10248 1 241 . 1 1 25 25 LEU CG C 13 27.305 0.300 . 1 . . . . 25 LEU CG . 10248 1 242 . 1 1 25 25 LEU N N 15 124.174 0.300 . 1 . . . . 25 LEU N . 10248 1 243 . 1 1 26 26 VAL H H 1 7.802 0.030 . 1 . . . . 26 VAL H . 10248 1 244 . 1 1 26 26 VAL HA H 1 3.833 0.030 . 1 . . . . 26 VAL HA . 10248 1 245 . 1 1 26 26 VAL HB H 1 2.125 0.030 . 1 . . . . 26 VAL HB . 10248 1 246 . 1 1 26 26 VAL HG11 H 1 0.965 0.030 . 1 . . . . 26 VAL HG1 . 10248 1 247 . 1 1 26 26 VAL HG12 H 1 0.965 0.030 . 1 . . . . 26 VAL HG1 . 10248 1 248 . 1 1 26 26 VAL HG13 H 1 0.965 0.030 . 1 . . . . 26 VAL HG1 . 10248 1 249 . 1 1 26 26 VAL HG21 H 1 0.812 0.030 . 1 . . . . 26 VAL HG2 . 10248 1 250 . 1 1 26 26 VAL HG22 H 1 0.812 0.030 . 1 . . . . 26 VAL HG2 . 10248 1 251 . 1 1 26 26 VAL HG23 H 1 0.812 0.030 . 1 . . . . 26 VAL HG2 . 10248 1 252 . 1 1 26 26 VAL C C 13 177.712 0.300 . 1 . . . . 26 VAL C . 10248 1 253 . 1 1 26 26 VAL CA C 13 66.662 0.300 . 1 . . . . 26 VAL CA . 10248 1 254 . 1 1 26 26 VAL CB C 13 31.670 0.300 . 1 . . . . 26 VAL CB . 10248 1 255 . 1 1 26 26 VAL CG1 C 13 21.954 0.300 . 2 . . . . 26 VAL CG1 . 10248 1 256 . 1 1 26 26 VAL CG2 C 13 23.292 0.300 . 2 . . . . 26 VAL CG2 . 10248 1 257 . 1 1 26 26 VAL N N 15 119.266 0.300 . 1 . . . . 26 VAL N . 10248 1 258 . 1 1 27 27 ARG H H 1 7.922 0.030 . 1 . . . . 27 ARG H . 10248 1 259 . 1 1 27 27 ARG HA H 1 4.043 0.030 . 1 . . . . 27 ARG HA . 10248 1 260 . 1 1 27 27 ARG HB2 H 1 1.958 0.030 . 2 . . . . 27 ARG HB2 . 10248 1 261 . 1 1 27 27 ARG HB3 H 1 1.864 0.030 . 2 . . . . 27 ARG HB3 . 10248 1 262 . 1 1 27 27 ARG HD2 H 1 3.216 0.030 . 1 . . . . 27 ARG HD2 . 10248 1 263 . 1 1 27 27 ARG HD3 H 1 3.216 0.030 . 1 . . . . 27 ARG HD3 . 10248 1 264 . 1 1 27 27 ARG HG2 H 1 1.621 0.030 . 2 . . . . 27 ARG HG2 . 10248 1 265 . 1 1 27 27 ARG HG3 H 1 1.855 0.030 . 2 . . . . 27 ARG HG3 . 10248 1 266 . 1 1 27 27 ARG C C 13 177.785 0.300 . 1 . . . . 27 ARG C . 10248 1 267 . 1 1 27 27 ARG CA C 13 58.683 0.300 . 1 . . . . 27 ARG CA . 10248 1 268 . 1 1 27 27 ARG CB C 13 29.720 0.300 . 1 . . . . 27 ARG CB . 10248 1 269 . 1 1 27 27 ARG CD C 13 42.950 0.300 . 1 . . . . 27 ARG CD . 10248 1 270 . 1 1 27 27 ARG CG C 13 27.487 0.300 . 1 . . . . 27 ARG CG . 10248 1 271 . 1 1 27 27 ARG N N 15 118.035 0.300 . 1 . . . . 27 ARG N . 10248 1 272 . 1 1 28 28 GLN H H 1 7.707 0.030 . 1 . . . . 28 GLN H . 10248 1 273 . 1 1 28 28 GLN HA H 1 4.092 0.030 . 1 . . . . 28 GLN HA . 10248 1 274 . 1 1 28 28 GLN HB2 H 1 2.266 0.030 . 1 . . . . 28 GLN HB2 . 10248 1 275 . 1 1 28 28 GLN HB3 H 1 2.266 0.030 . 1 . . . . 28 GLN HB3 . 10248 1 276 . 1 1 28 28 GLN HE21 H 1 6.836 0.030 . 2 . . . . 28 GLN HE21 . 10248 1 277 . 1 1 28 28 GLN HE22 H 1 7.581 0.030 . 2 . . . . 28 GLN HE22 . 10248 1 278 . 1 1 28 28 GLN HG2 H 1 2.496 0.030 . 2 . . . . 28 GLN HG2 . 10248 1 279 . 1 1 28 28 GLN HG3 H 1 2.452 0.030 . 2 . . . . 28 GLN HG3 . 10248 1 280 . 1 1 28 28 GLN C C 13 177.785 0.300 . 1 . . . . 28 GLN C . 10248 1 281 . 1 1 28 28 GLN CA C 13 58.233 0.300 . 1 . . . . 28 GLN CA . 10248 1 282 . 1 1 28 28 GLN CB C 13 29.191 0.300 . 1 . . . . 28 GLN CB . 10248 1 283 . 1 1 28 28 GLN CG C 13 34.067 0.300 . 1 . . . . 28 GLN CG . 10248 1 284 . 1 1 28 28 GLN N N 15 116.893 0.300 . 1 . . . . 28 GLN N . 10248 1 285 . 1 1 28 28 GLN NE2 N 15 111.988 0.300 . 1 . . . . 28 GLN NE2 . 10248 1 286 . 1 1 29 29 GLU H H 1 7.864 0.030 . 1 . . . . 29 GLU H . 10248 1 287 . 1 1 29 29 GLU HA H 1 4.131 0.030 . 1 . . . . 29 GLU HA . 10248 1 288 . 1 1 29 29 GLU HB2 H 1 2.007 0.030 . 2 . . . . 29 GLU HB2 . 10248 1 289 . 1 1 29 29 GLU HB3 H 1 1.881 0.030 . 2 . . . . 29 GLU HB3 . 10248 1 290 . 1 1 29 29 GLU HG2 H 1 2.367 0.030 . 2 . . . . 29 GLU HG2 . 10248 1 291 . 1 1 29 29 GLU HG3 H 1 2.154 0.030 . 2 . . . . 29 GLU HG3 . 10248 1 292 . 1 1 29 29 GLU C C 13 176.246 0.300 . 1 . . . . 29 GLU C . 10248 1 293 . 1 1 29 29 GLU CA C 13 57.808 0.300 . 1 . . . . 29 GLU CA . 10248 1 294 . 1 1 29 29 GLU CB C 13 31.004 0.300 . 1 . . . . 29 GLU CB . 10248 1 295 . 1 1 29 29 GLU CG C 13 36.652 0.300 . 1 . . . . 29 GLU CG . 10248 1 296 . 1 1 29 29 GLU N N 15 116.949 0.300 . 1 . . . . 29 GLU N . 10248 1 297 . 1 1 30 30 HIS H H 1 8.058 0.030 . 1 . . . . 30 HIS H . 10248 1 298 . 1 1 30 30 HIS HA H 1 5.071 0.030 . 1 . . . . 30 HIS HA . 10248 1 299 . 1 1 30 30 HIS HB2 H 1 2.998 0.030 . 2 . . . . 30 HIS HB2 . 10248 1 300 . 1 1 30 30 HIS HB3 H 1 3.139 0.030 . 2 . . . . 30 HIS HB3 . 10248 1 301 . 1 1 30 30 HIS HD2 H 1 7.072 0.030 . 1 . . . . 30 HIS HD2 . 10248 1 302 . 1 1 30 30 HIS HE1 H 1 7.967 0.030 . 1 . . . . 30 HIS HE1 . 10248 1 303 . 1 1 30 30 HIS C C 13 173.519 0.300 . 1 . . . . 30 HIS C . 10248 1 304 . 1 1 30 30 HIS CA C 13 53.347 0.300 . 1 . . . . 30 HIS CA . 10248 1 305 . 1 1 30 30 HIS CB C 13 30.649 0.300 . 1 . . . . 30 HIS CB . 10248 1 306 . 1 1 30 30 HIS CD2 C 13 120.782 0.300 . 1 . . . . 30 HIS CD2 . 10248 1 307 . 1 1 30 30 HIS CE1 C 13 138.370 0.300 . 1 . . . . 30 HIS CE1 . 10248 1 308 . 1 1 30 30 HIS N N 15 116.711 0.300 . 1 . . . . 30 HIS N . 10248 1 309 . 1 1 31 31 PRO HA H 1 4.648 0.030 . 1 . . . . 31 PRO HA . 10248 1 310 . 1 1 31 31 PRO HB2 H 1 2.454 0.030 . 2 . . . . 31 PRO HB2 . 10248 1 311 . 1 1 31 31 PRO HB3 H 1 1.991 0.030 . 2 . . . . 31 PRO HB3 . 10248 1 312 . 1 1 31 31 PRO HD2 H 1 3.392 0.030 . 2 . . . . 31 PRO HD2 . 10248 1 313 . 1 1 31 31 PRO HD3 H 1 3.634 0.030 . 2 . . . . 31 PRO HD3 . 10248 1 314 . 1 1 31 31 PRO HG2 H 1 1.927 0.030 . 2 . . . . 31 PRO HG2 . 10248 1 315 . 1 1 31 31 PRO HG3 H 1 2.065 0.030 . 2 . . . . 31 PRO HG3 . 10248 1 316 . 1 1 31 31 PRO C C 13 178.197 0.300 . 1 . . . . 31 PRO C . 10248 1 317 . 1 1 31 31 PRO CA C 13 64.911 0.300 . 1 . . . . 31 PRO CA . 10248 1 318 . 1 1 31 31 PRO CB C 13 32.458 0.300 . 1 . . . . 31 PRO CB . 10248 1 319 . 1 1 31 31 PRO CD C 13 50.435 0.300 . 1 . . . . 31 PRO CD . 10248 1 320 . 1 1 31 31 PRO CG C 13 27.240 0.300 . 1 . . . . 31 PRO CG . 10248 1 321 . 1 1 32 32 ARG H H 1 8.617 0.030 . 1 . . . . 32 ARG H . 10248 1 322 . 1 1 32 32 ARG HA H 1 4.406 0.030 . 1 . . . . 32 ARG HA . 10248 1 323 . 1 1 32 32 ARG HB2 H 1 2.064 0.030 . 2 . . . . 32 ARG HB2 . 10248 1 324 . 1 1 32 32 ARG HB3 H 1 1.829 0.030 . 2 . . . . 32 ARG HB3 . 10248 1 325 . 1 1 32 32 ARG HD2 H 1 3.235 0.030 . 1 . . . . 32 ARG HD2 . 10248 1 326 . 1 1 32 32 ARG HD3 H 1 3.235 0.030 . 1 . . . . 32 ARG HD3 . 10248 1 327 . 1 1 32 32 ARG HG2 H 1 1.675 0.030 . 2 . . . . 32 ARG HG2 . 10248 1 328 . 1 1 32 32 ARG HG3 H 1 1.635 0.030 . 2 . . . . 32 ARG HG3 . 10248 1 329 . 1 1 32 32 ARG C C 13 176.815 0.300 . 1 . . . . 32 ARG C . 10248 1 330 . 1 1 32 32 ARG CA C 13 55.959 0.300 . 1 . . . . 32 ARG CA . 10248 1 331 . 1 1 32 32 ARG CB C 13 29.808 0.300 . 1 . . . . 32 ARG CB . 10248 1 332 . 1 1 32 32 ARG CD C 13 43.115 0.300 . 1 . . . . 32 ARG CD . 10248 1 333 . 1 1 32 32 ARG CG C 13 27.569 0.300 . 1 . . . . 32 ARG CG . 10248 1 334 . 1 1 32 32 ARG N N 15 116.125 0.300 . 1 . . . . 32 ARG N . 10248 1 335 . 1 1 33 33 LEU H H 1 7.421 0.030 . 1 . . . . 33 LEU H . 10248 1 336 . 1 1 33 33 LEU HA H 1 4.409 0.030 . 1 . . . . 33 LEU HA . 10248 1 337 . 1 1 33 33 LEU HB2 H 1 1.753 0.030 . 2 . . . . 33 LEU HB2 . 10248 1 338 . 1 1 33 33 LEU HB3 H 1 1.674 0.030 . 2 . . . . 33 LEU HB3 . 10248 1 339 . 1 1 33 33 LEU HD11 H 1 0.735 0.030 . 1 . . . . 33 LEU HD1 . 10248 1 340 . 1 1 33 33 LEU HD12 H 1 0.735 0.030 . 1 . . . . 33 LEU HD1 . 10248 1 341 . 1 1 33 33 LEU HD13 H 1 0.735 0.030 . 1 . . . . 33 LEU HD1 . 10248 1 342 . 1 1 33 33 LEU HD21 H 1 0.764 0.030 . 1 . . . . 33 LEU HD2 . 10248 1 343 . 1 1 33 33 LEU HD22 H 1 0.764 0.030 . 1 . . . . 33 LEU HD2 . 10248 1 344 . 1 1 33 33 LEU HD23 H 1 0.764 0.030 . 1 . . . . 33 LEU HD2 . 10248 1 345 . 1 1 33 33 LEU HG H 1 1.875 0.030 . 1 . . . . 33 LEU HG . 10248 1 346 . 1 1 33 33 LEU C C 13 177.349 0.300 . 1 . . . . 33 LEU C . 10248 1 347 . 1 1 33 33 LEU CA C 13 55.140 0.300 . 1 . . . . 33 LEU CA . 10248 1 348 . 1 1 33 33 LEU CB C 13 43.420 0.300 . 1 . . . . 33 LEU CB . 10248 1 349 . 1 1 33 33 LEU CD1 C 13 23.950 0.300 . 2 . . . . 33 LEU CD1 . 10248 1 350 . 1 1 33 33 LEU CD2 C 13 25.560 0.300 . 2 . . . . 33 LEU CD2 . 10248 1 351 . 1 1 33 33 LEU CG C 13 26.444 0.300 . 1 . . . . 33 LEU CG . 10248 1 352 . 1 1 33 33 LEU N N 15 120.576 0.300 . 1 . . . . 33 LEU N . 10248 1 353 . 1 1 34 34 ASP H H 1 8.168 0.030 . 1 . . . . 34 ASP H . 10248 1 354 . 1 1 34 34 ASP HA H 1 4.646 0.030 . 1 . . . . 34 ASP HA . 10248 1 355 . 1 1 34 34 ASP HB2 H 1 3.213 0.030 . 2 . . . . 34 ASP HB2 . 10248 1 356 . 1 1 34 34 ASP HB3 H 1 2.854 0.030 . 2 . . . . 34 ASP HB3 . 10248 1 357 . 1 1 34 34 ASP C C 13 175.821 0.300 . 1 . . . . 34 ASP C . 10248 1 358 . 1 1 34 34 ASP CA C 13 52.415 0.300 . 1 . . . . 34 ASP CA . 10248 1 359 . 1 1 34 34 ASP CB C 13 41.177 0.300 . 1 . . . . 34 ASP CB . 10248 1 360 . 1 1 34 34 ASP N N 15 122.502 0.300 . 1 . . . . 34 ASP N . 10248 1 361 . 1 1 35 35 ASN HA H 1 4.395 0.030 . 1 . . . . 35 ASN HA . 10248 1 362 . 1 1 35 35 ASN HB2 H 1 2.836 0.030 . 2 . . . . 35 ASN HB2 . 10248 1 363 . 1 1 35 35 ASN HB3 H 1 2.795 0.030 . 2 . . . . 35 ASN HB3 . 10248 1 364 . 1 1 35 35 ASN HD21 H 1 6.978 0.030 . 2 . . . . 35 ASN HD21 . 10248 1 365 . 1 1 35 35 ASN HD22 H 1 7.681 0.030 . 2 . . . . 35 ASN HD22 . 10248 1 366 . 1 1 35 35 ASN CA C 13 57.033 0.300 . 1 . . . . 35 ASN CA . 10248 1 367 . 1 1 35 35 ASN CB C 13 38.344 0.300 . 1 . . . . 35 ASN CB . 10248 1 368 . 1 1 35 35 ASN ND2 N 15 114.066 0.300 . 1 . . . . 35 ASN ND2 . 10248 1 369 . 1 1 36 36 ARG HA H 1 4.096 0.030 . 1 . . . . 36 ARG HA . 10248 1 370 . 1 1 36 36 ARG HB2 H 1 1.914 0.030 . 2 . . . . 36 ARG HB2 . 10248 1 371 . 1 1 36 36 ARG HB3 H 1 1.957 0.030 . 2 . . . . 36 ARG HB3 . 10248 1 372 . 1 1 36 36 ARG HD2 H 1 3.255 0.030 . 1 . . . . 36 ARG HD2 . 10248 1 373 . 1 1 36 36 ARG HD3 H 1 3.255 0.030 . 1 . . . . 36 ARG HD3 . 10248 1 374 . 1 1 36 36 ARG HG2 H 1 1.746 0.030 . 2 . . . . 36 ARG HG2 . 10248 1 375 . 1 1 36 36 ARG HG3 H 1 1.625 0.030 . 2 . . . . 36 ARG HG3 . 10248 1 376 . 1 1 36 36 ARG C C 13 179.554 0.300 . 1 . . . . 36 ARG C . 10248 1 377 . 1 1 36 36 ARG CA C 13 59.527 0.300 . 1 . . . . 36 ARG CA . 10248 1 378 . 1 1 36 36 ARG CB C 13 29.626 0.300 . 1 . . . . 36 ARG CB . 10248 1 379 . 1 1 36 36 ARG CD C 13 43.484 0.300 . 1 . . . . 36 ARG CD . 10248 1 380 . 1 1 36 36 ARG CG C 13 27.284 0.300 . 1 . . . . 36 ARG CG . 10248 1 381 . 1 1 37 37 GLY H H 1 8.618 0.030 . 1 . . . . 37 GLY H . 10248 1 382 . 1 1 37 37 GLY HA2 H 1 3.888 0.030 . 2 . . . . 37 GLY HA2 . 10248 1 383 . 1 1 37 37 GLY HA3 H 1 3.754 0.030 . 2 . . . . 37 GLY HA3 . 10248 1 384 . 1 1 37 37 GLY C C 13 176.597 0.300 . 1 . . . . 37 GLY C . 10248 1 385 . 1 1 37 37 GLY CA C 13 47.048 0.300 . 1 . . . . 37 GLY CA . 10248 1 386 . 1 1 37 37 GLY N N 15 110.017 0.300 . 1 . . . . 37 GLY N . 10248 1 387 . 1 1 38 38 ALA H H 1 8.619 0.030 . 1 . . . . 38 ALA H . 10248 1 388 . 1 1 38 38 ALA HA H 1 3.945 0.030 . 1 . . . . 38 ALA HA . 10248 1 389 . 1 1 38 38 ALA HB1 H 1 1.383 0.030 . 1 . . . . 38 ALA HB . 10248 1 390 . 1 1 38 38 ALA HB2 H 1 1.383 0.030 . 1 . . . . 38 ALA HB . 10248 1 391 . 1 1 38 38 ALA HB3 H 1 1.383 0.030 . 1 . . . . 38 ALA HB . 10248 1 392 . 1 1 38 38 ALA C C 13 178.924 0.300 . 1 . . . . 38 ALA C . 10248 1 393 . 1 1 38 38 ALA CA C 13 55.123 0.300 . 1 . . . . 38 ALA CA . 10248 1 394 . 1 1 38 38 ALA CB C 13 18.046 0.300 . 1 . . . . 38 ALA CB . 10248 1 395 . 1 1 38 38 ALA N N 15 124.889 0.300 . 1 . . . . 38 ALA N . 10248 1 396 . 1 1 39 39 THR H H 1 8.239 0.030 . 1 . . . . 39 THR H . 10248 1 397 . 1 1 39 39 THR HA H 1 3.895 0.030 . 1 . . . . 39 THR HA . 10248 1 398 . 1 1 39 39 THR HB H 1 4.364 0.030 . 1 . . . . 39 THR HB . 10248 1 399 . 1 1 39 39 THR HG21 H 1 1.365 0.030 . 1 . . . . 39 THR HG2 . 10248 1 400 . 1 1 39 39 THR HG22 H 1 1.365 0.030 . 1 . . . . 39 THR HG2 . 10248 1 401 . 1 1 39 39 THR HG23 H 1 1.365 0.030 . 1 . . . . 39 THR HG2 . 10248 1 402 . 1 1 39 39 THR C C 13 175.252 0.300 . 1 . . . . 39 THR C . 10248 1 403 . 1 1 39 39 THR CA C 13 66.889 0.300 . 1 . . . . 39 THR CA . 10248 1 404 . 1 1 39 39 THR CB C 13 68.607 0.300 . 1 . . . . 39 THR CB . 10248 1 405 . 1 1 39 39 THR CG2 C 13 22.305 0.300 . 1 . . . . 39 THR CG2 . 10248 1 406 . 1 1 39 39 THR N N 15 114.810 0.300 . 1 . . . . 39 THR N . 10248 1 407 . 1 1 40 40 LYS H H 1 7.518 0.030 . 1 . . . . 40 LYS H . 10248 1 408 . 1 1 40 40 LYS HA H 1 4.098 0.030 . 1 . . . . 40 LYS HA . 10248 1 409 . 1 1 40 40 LYS HB2 H 1 1.935 0.030 . 2 . . . . 40 LYS HB2 . 10248 1 410 . 1 1 40 40 LYS HB3 H 1 2.035 0.030 . 2 . . . . 40 LYS HB3 . 10248 1 411 . 1 1 40 40 LYS HD2 H 1 1.736 0.030 . 2 . . . . 40 LYS HD2 . 10248 1 412 . 1 1 40 40 LYS HD3 H 1 1.649 0.030 . 2 . . . . 40 LYS HD3 . 10248 1 413 . 1 1 40 40 LYS HE2 H 1 2.995 0.030 . 1 . . . . 40 LYS HE2 . 10248 1 414 . 1 1 40 40 LYS HE3 H 1 2.995 0.030 . 1 . . . . 40 LYS HE3 . 10248 1 415 . 1 1 40 40 LYS HG2 H 1 1.534 0.030 . 2 . . . . 40 LYS HG2 . 10248 1 416 . 1 1 40 40 LYS HG3 H 1 1.455 0.030 . 2 . . . . 40 LYS HG3 . 10248 1 417 . 1 1 40 40 LYS C C 13 178.330 0.300 . 1 . . . . 40 LYS C . 10248 1 418 . 1 1 40 40 LYS CA C 13 59.746 0.300 . 1 . . . . 40 LYS CA . 10248 1 419 . 1 1 40 40 LYS CB C 13 32.106 0.300 . 1 . . . . 40 LYS CB . 10248 1 420 . 1 1 40 40 LYS CD C 13 28.803 0.300 . 1 . . . . 40 LYS CD . 10248 1 421 . 1 1 40 40 LYS CE C 13 42.374 0.300 . 1 . . . . 40 LYS CE . 10248 1 422 . 1 1 40 40 LYS CG C 13 25.066 0.300 . 1 . . . . 40 LYS CG . 10248 1 423 . 1 1 40 40 LYS N N 15 122.046 0.300 . 1 . . . . 40 LYS N . 10248 1 424 . 1 1 41 41 ILE H H 1 7.218 0.030 . 1 . . . . 41 ILE H . 10248 1 425 . 1 1 41 41 ILE HA H 1 3.722 0.030 . 1 . . . . 41 ILE HA . 10248 1 426 . 1 1 41 41 ILE HB H 1 1.728 0.030 . 1 . . . . 41 ILE HB . 10248 1 427 . 1 1 41 41 ILE HD11 H 1 0.405 0.030 . 1 . . . . 41 ILE HD1 . 10248 1 428 . 1 1 41 41 ILE HD12 H 1 0.405 0.030 . 1 . . . . 41 ILE HD1 . 10248 1 429 . 1 1 41 41 ILE HD13 H 1 0.405 0.030 . 1 . . . . 41 ILE HD1 . 10248 1 430 . 1 1 41 41 ILE HG12 H 1 1.102 0.030 . 2 . . . . 41 ILE HG12 . 10248 1 431 . 1 1 41 41 ILE HG13 H 1 1.183 0.030 . 2 . . . . 41 ILE HG13 . 10248 1 432 . 1 1 41 41 ILE HG21 H 1 0.295 0.030 . 1 . . . . 41 ILE HG2 . 10248 1 433 . 1 1 41 41 ILE HG22 H 1 0.295 0.030 . 1 . . . . 41 ILE HG2 . 10248 1 434 . 1 1 41 41 ILE HG23 H 1 0.295 0.030 . 1 . . . . 41 ILE HG2 . 10248 1 435 . 1 1 41 41 ILE C C 13 178.197 0.300 . 1 . . . . 41 ILE C . 10248 1 436 . 1 1 41 41 ILE CA C 13 64.055 0.300 . 1 . . . . 41 ILE CA . 10248 1 437 . 1 1 41 41 ILE CB C 13 36.482 0.300 . 1 . . . . 41 ILE CB . 10248 1 438 . 1 1 41 41 ILE CD1 C 13 11.448 0.300 . 1 . . . . 41 ILE CD1 . 10248 1 439 . 1 1 41 41 ILE CG1 C 13 28.392 0.300 . 1 . . . . 41 ILE CG1 . 10248 1 440 . 1 1 41 41 ILE CG2 C 13 17.206 0.300 . 1 . . . . 41 ILE CG2 . 10248 1 441 . 1 1 41 41 ILE N N 15 119.019 0.300 . 1 . . . . 41 ILE N . 10248 1 442 . 1 1 42 42 LEU H H 1 7.940 0.030 . 1 . . . . 42 LEU H . 10248 1 443 . 1 1 42 42 LEU HA H 1 3.988 0.030 . 1 . . . . 42 LEU HA . 10248 1 444 . 1 1 42 42 LEU HB2 H 1 2.236 0.030 . 2 . . . . 42 LEU HB2 . 10248 1 445 . 1 1 42 42 LEU HB3 H 1 1.835 0.030 . 2 . . . . 42 LEU HB3 . 10248 1 446 . 1 1 42 42 LEU HD11 H 1 0.751 0.030 . 1 . . . . 42 LEU HD1 . 10248 1 447 . 1 1 42 42 LEU HD12 H 1 0.751 0.030 . 1 . . . . 42 LEU HD1 . 10248 1 448 . 1 1 42 42 LEU HD13 H 1 0.751 0.030 . 1 . . . . 42 LEU HD1 . 10248 1 449 . 1 1 42 42 LEU HD21 H 1 0.736 0.030 . 1 . . . . 42 LEU HD2 . 10248 1 450 . 1 1 42 42 LEU HD22 H 1 0.736 0.030 . 1 . . . . 42 LEU HD2 . 10248 1 451 . 1 1 42 42 LEU HD23 H 1 0.736 0.030 . 1 . . . . 42 LEU HD2 . 10248 1 452 . 1 1 42 42 LEU HG H 1 1.665 0.030 . 1 . . . . 42 LEU HG . 10248 1 453 . 1 1 42 42 LEU C C 13 179.251 0.300 . 1 . . . . 42 LEU C . 10248 1 454 . 1 1 42 42 LEU CA C 13 58.605 0.300 . 1 . . . . 42 LEU CA . 10248 1 455 . 1 1 42 42 LEU CB C 13 41.694 0.300 . 1 . . . . 42 LEU CB . 10248 1 456 . 1 1 42 42 LEU CD1 C 13 25.513 0.300 . 2 . . . . 42 LEU CD1 . 10248 1 457 . 1 1 42 42 LEU CD2 C 13 25.322 0.300 . 2 . . . . 42 LEU CD2 . 10248 1 458 . 1 1 42 42 LEU CG C 13 27.569 0.300 . 1 . . . . 42 LEU CG . 10248 1 459 . 1 1 42 42 LEU N N 15 119.163 0.300 . 1 . . . . 42 LEU N . 10248 1 460 . 1 1 43 43 ALA H H 1 8.732 0.030 . 1 . . . . 43 ALA H . 10248 1 461 . 1 1 43 43 ALA HA H 1 4.222 0.030 . 1 . . . . 43 ALA HA . 10248 1 462 . 1 1 43 43 ALA HB1 H 1 1.535 0.030 . 1 . . . . 43 ALA HB . 10248 1 463 . 1 1 43 43 ALA HB2 H 1 1.535 0.030 . 1 . . . . 43 ALA HB . 10248 1 464 . 1 1 43 43 ALA HB3 H 1 1.535 0.030 . 1 . . . . 43 ALA HB . 10248 1 465 . 1 1 43 43 ALA C C 13 180.899 0.300 . 1 . . . . 43 ALA C . 10248 1 466 . 1 1 43 43 ALA CA C 13 55.699 0.300 . 1 . . . . 43 ALA CA . 10248 1 467 . 1 1 43 43 ALA CB C 13 17.859 0.300 . 1 . . . . 43 ALA CB . 10248 1 468 . 1 1 43 43 ALA N N 15 122.225 0.300 . 1 . . . . 43 ALA N . 10248 1 469 . 1 1 44 44 ASP H H 1 8.350 0.030 . 1 . . . . 44 ASP H . 10248 1 470 . 1 1 44 44 ASP HA H 1 4.545 0.030 . 1 . . . . 44 ASP HA . 10248 1 471 . 1 1 44 44 ASP HB2 H 1 3.115 0.030 . 2 . . . . 44 ASP HB2 . 10248 1 472 . 1 1 44 44 ASP HB3 H 1 2.815 0.030 . 2 . . . . 44 ASP HB3 . 10248 1 473 . 1 1 44 44 ASP C C 13 179.227 0.300 . 1 . . . . 44 ASP C . 10248 1 474 . 1 1 44 44 ASP CA C 13 57.507 0.300 . 1 . . . . 44 ASP CA . 10248 1 475 . 1 1 44 44 ASP CB C 13 39.719 0.300 . 1 . . . . 44 ASP CB . 10248 1 476 . 1 1 44 44 ASP N N 15 122.950 0.300 . 1 . . . . 44 ASP N . 10248 1 477 . 1 1 45 45 TRP H H 1 8.831 0.030 . 1 . . . . 45 TRP H . 10248 1 478 . 1 1 45 45 TRP HA H 1 4.692 0.030 . 1 . . . . 45 TRP HA . 10248 1 479 . 1 1 45 45 TRP HB2 H 1 3.763 0.030 . 2 . . . . 45 TRP HB2 . 10248 1 480 . 1 1 45 45 TRP HB3 H 1 3.569 0.030 . 2 . . . . 45 TRP HB3 . 10248 1 481 . 1 1 45 45 TRP HD1 H 1 7.225 0.030 . 1 . . . . 45 TRP HD1 . 10248 1 482 . 1 1 45 45 TRP HE1 H 1 10.190 0.030 . 1 . . . . 45 TRP HE1 . 10248 1 483 . 1 1 45 45 TRP HE3 H 1 7.325 0.030 . 1 . . . . 45 TRP HE3 . 10248 1 484 . 1 1 45 45 TRP HH2 H 1 6.995 0.030 . 1 . . . . 45 TRP HH2 . 10248 1 485 . 1 1 45 45 TRP HZ2 H 1 7.553 0.030 . 1 . . . . 45 TRP HZ2 . 10248 1 486 . 1 1 45 45 TRP HZ3 H 1 6.899 0.030 . 1 . . . . 45 TRP HZ3 . 10248 1 487 . 1 1 45 45 TRP C C 13 179.057 0.300 . 1 . . . . 45 TRP C . 10248 1 488 . 1 1 45 45 TRP CA C 13 58.008 0.300 . 1 . . . . 45 TRP CA . 10248 1 489 . 1 1 45 45 TRP CB C 13 29.520 0.300 . 1 . . . . 45 TRP CB . 10248 1 490 . 1 1 45 45 TRP CD1 C 13 124.685 0.300 . 1 . . . . 45 TRP CD1 . 10248 1 491 . 1 1 45 45 TRP CE3 C 13 119.604 0.300 . 1 . . . . 45 TRP CE3 . 10248 1 492 . 1 1 45 45 TRP CH2 C 13 124.341 0.300 . 1 . . . . 45 TRP CH2 . 10248 1 493 . 1 1 45 45 TRP CZ2 C 13 114.626 0.300 . 1 . . . . 45 TRP CZ2 . 10248 1 494 . 1 1 45 45 TRP CZ3 C 13 121.023 0.300 . 1 . . . . 45 TRP CZ3 . 10248 1 495 . 1 1 45 45 TRP N N 15 122.321 0.300 . 1 . . . . 45 TRP N . 10248 1 496 . 1 1 45 45 TRP NE1 N 15 128.312 0.300 . 1 . . . . 45 TRP NE1 . 10248 1 497 . 1 1 46 46 TRP H H 1 8.921 0.030 . 1 . . . . 46 TRP H . 10248 1 498 . 1 1 46 46 TRP HA H 1 3.733 0.030 . 1 . . . . 46 TRP HA . 10248 1 499 . 1 1 46 46 TRP HB2 H 1 3.259 0.030 . 2 . . . . 46 TRP HB2 . 10248 1 500 . 1 1 46 46 TRP HB3 H 1 3.185 0.030 . 2 . . . . 46 TRP HB3 . 10248 1 501 . 1 1 46 46 TRP HD1 H 1 6.964 0.030 . 1 . . . . 46 TRP HD1 . 10248 1 502 . 1 1 46 46 TRP HE1 H 1 10.009 0.030 . 1 . . . . 46 TRP HE1 . 10248 1 503 . 1 1 46 46 TRP HE3 H 1 5.864 0.030 . 1 . . . . 46 TRP HE3 . 10248 1 504 . 1 1 46 46 TRP HH2 H 1 7.135 0.030 . 1 . . . . 46 TRP HH2 . 10248 1 505 . 1 1 46 46 TRP HZ2 H 1 7.425 0.030 . 1 . . . . 46 TRP HZ2 . 10248 1 506 . 1 1 46 46 TRP HZ3 H 1 6.445 0.030 . 1 . . . . 46 TRP HZ3 . 10248 1 507 . 1 1 46 46 TRP C C 13 177.664 0.300 . 1 . . . . 46 TRP C . 10248 1 508 . 1 1 46 46 TRP CA C 13 59.279 0.300 . 1 . . . . 46 TRP CA . 10248 1 509 . 1 1 46 46 TRP CB C 13 30.508 0.300 . 1 . . . . 46 TRP CB . 10248 1 510 . 1 1 46 46 TRP CD1 C 13 127.417 0.300 . 1 . . . . 46 TRP CD1 . 10248 1 511 . 1 1 46 46 TRP CE3 C 13 120.933 0.300 . 1 . . . . 46 TRP CE3 . 10248 1 512 . 1 1 46 46 TRP CH2 C 13 124.366 0.300 . 1 . . . . 46 TRP CH2 . 10248 1 513 . 1 1 46 46 TRP CZ2 C 13 113.529 0.300 . 1 . . . . 46 TRP CZ2 . 10248 1 514 . 1 1 46 46 TRP CZ3 C 13 121.617 0.300 . 1 . . . . 46 TRP CZ3 . 10248 1 515 . 1 1 46 46 TRP N N 15 120.243 0.300 . 1 . . . . 46 TRP N . 10248 1 516 . 1 1 46 46 TRP NE1 N 15 128.030 0.300 . 1 . . . . 46 TRP NE1 . 10248 1 517 . 1 1 47 47 ALA H H 1 7.918 0.030 . 1 . . . . 47 ALA H . 10248 1 518 . 1 1 47 47 ALA HA H 1 3.918 0.030 . 1 . . . . 47 ALA HA . 10248 1 519 . 1 1 47 47 ALA HB1 H 1 1.605 0.030 . 1 . . . . 47 ALA HB . 10248 1 520 . 1 1 47 47 ALA HB2 H 1 1.605 0.030 . 1 . . . . 47 ALA HB . 10248 1 521 . 1 1 47 47 ALA HB3 H 1 1.605 0.030 . 1 . . . . 47 ALA HB . 10248 1 522 . 1 1 47 47 ALA C C 13 179.978 0.300 . 1 . . . . 47 ALA C . 10248 1 523 . 1 1 47 47 ALA CA C 13 55.011 0.300 . 1 . . . . 47 ALA CA . 10248 1 524 . 1 1 47 47 ALA CB C 13 18.581 0.300 . 1 . . . . 47 ALA CB . 10248 1 525 . 1 1 47 47 ALA N N 15 117.935 0.300 . 1 . . . . 47 ALA N . 10248 1 526 . 1 1 48 48 VAL H H 1 7.106 0.030 . 1 . . . . 48 VAL H . 10248 1 527 . 1 1 48 48 VAL HA H 1 4.378 0.030 . 1 . . . . 48 VAL HA . 10248 1 528 . 1 1 48 48 VAL HB H 1 2.453 0.030 . 1 . . . . 48 VAL HB . 10248 1 529 . 1 1 48 48 VAL HG11 H 1 0.986 0.030 . 1 . . . . 48 VAL HG1 . 10248 1 530 . 1 1 48 48 VAL HG12 H 1 0.986 0.030 . 1 . . . . 48 VAL HG1 . 10248 1 531 . 1 1 48 48 VAL HG13 H 1 0.986 0.030 . 1 . . . . 48 VAL HG1 . 10248 1 532 . 1 1 48 48 VAL HG21 H 1 1.047 0.030 . 1 . . . . 48 VAL HG2 . 10248 1 533 . 1 1 48 48 VAL HG22 H 1 1.047 0.030 . 1 . . . . 48 VAL HG2 . 10248 1 534 . 1 1 48 48 VAL HG23 H 1 1.047 0.030 . 1 . . . . 48 VAL HG2 . 10248 1 535 . 1 1 48 48 VAL C C 13 175.627 0.300 . 1 . . . . 48 VAL C . 10248 1 536 . 1 1 48 48 VAL CA C 13 60.641 0.300 . 1 . . . . 48 VAL CA . 10248 1 537 . 1 1 48 48 VAL CB C 13 31.865 0.300 . 1 . . . . 48 VAL CB . 10248 1 538 . 1 1 48 48 VAL CG1 C 13 21.278 0.300 . 2 . . . . 48 VAL CG1 . 10248 1 539 . 1 1 48 48 VAL CG2 C 13 18.933 0.300 . 2 . . . . 48 VAL CG2 . 10248 1 540 . 1 1 48 48 VAL N N 15 107.757 0.300 . 1 . . . . 48 VAL N . 10248 1 541 . 1 1 49 49 LEU H H 1 7.008 0.030 . 1 . . . . 49 LEU H . 10248 1 542 . 1 1 49 49 LEU HA H 1 3.948 0.030 . 1 . . . . 49 LEU HA . 10248 1 543 . 1 1 49 49 LEU HB2 H 1 1.327 0.030 . 2 . . . . 49 LEU HB2 . 10248 1 544 . 1 1 49 49 LEU HB3 H 1 1.189 0.030 . 2 . . . . 49 LEU HB3 . 10248 1 545 . 1 1 49 49 LEU HD11 H 1 0.871 0.030 . 1 . . . . 49 LEU HD1 . 10248 1 546 . 1 1 49 49 LEU HD12 H 1 0.871 0.030 . 1 . . . . 49 LEU HD1 . 10248 1 547 . 1 1 49 49 LEU HD13 H 1 0.871 0.030 . 1 . . . . 49 LEU HD1 . 10248 1 548 . 1 1 49 49 LEU HD21 H 1 0.709 0.030 . 1 . . . . 49 LEU HD2 . 10248 1 549 . 1 1 49 49 LEU HD22 H 1 0.709 0.030 . 1 . . . . 49 LEU HD2 . 10248 1 550 . 1 1 49 49 LEU HD23 H 1 0.709 0.030 . 1 . . . . 49 LEU HD2 . 10248 1 551 . 1 1 49 49 LEU HG H 1 1.765 0.030 . 1 . . . . 49 LEU HG . 10248 1 552 . 1 1 49 49 LEU C C 13 176.258 0.300 . 1 . . . . 49 LEU C . 10248 1 553 . 1 1 49 49 LEU CA C 13 55.032 0.300 . 1 . . . . 49 LEU CA . 10248 1 554 . 1 1 49 49 LEU CB C 13 42.822 0.300 . 1 . . . . 49 LEU CB . 10248 1 555 . 1 1 49 49 LEU CD1 C 13 24.529 0.300 . 2 . . . . 49 LEU CD1 . 10248 1 556 . 1 1 49 49 LEU CD2 C 13 25.982 0.300 . 2 . . . . 49 LEU CD2 . 10248 1 557 . 1 1 49 49 LEU CG C 13 26.432 0.300 . 1 . . . . 49 LEU CG . 10248 1 558 . 1 1 49 49 LEU N N 15 125.594 0.300 . 1 . . . . 49 LEU N . 10248 1 559 . 1 1 50 50 ASP H H 1 8.485 0.030 . 1 . . . . 50 ASP H . 10248 1 560 . 1 1 50 50 ASP HA H 1 4.643 0.030 . 1 . . . . 50 ASP HA . 10248 1 561 . 1 1 50 50 ASP HB2 H 1 2.895 0.030 . 2 . . . . 50 ASP HB2 . 10248 1 562 . 1 1 50 50 ASP HB3 H 1 2.627 0.030 . 2 . . . . 50 ASP HB3 . 10248 1 563 . 1 1 50 50 ASP CA C 13 52.855 0.300 . 1 . . . . 50 ASP CA . 10248 1 564 . 1 1 50 50 ASP CB C 13 42.605 0.300 . 1 . . . . 50 ASP CB . 10248 1 565 . 1 1 51 51 PRO HA H 1 4.025 0.030 . 1 . . . . 51 PRO HA . 10248 1 566 . 1 1 51 51 PRO HB2 H 1 2.413 0.030 . 2 . . . . 51 PRO HB2 . 10248 1 567 . 1 1 51 51 PRO HB3 H 1 1.995 0.030 . 2 . . . . 51 PRO HB3 . 10248 1 568 . 1 1 51 51 PRO HD2 H 1 3.902 0.030 . 2 . . . . 51 PRO HD2 . 10248 1 569 . 1 1 51 51 PRO HD3 H 1 3.855 0.030 . 2 . . . . 51 PRO HD3 . 10248 1 570 . 1 1 51 51 PRO HG2 H 1 2.150 0.030 . 2 . . . . 51 PRO HG2 . 10248 1 571 . 1 1 51 51 PRO HG3 H 1 2.028 0.030 . 2 . . . . 51 PRO HG3 . 10248 1 572 . 1 1 51 51 PRO C C 13 179.166 0.300 . 1 . . . . 51 PRO C . 10248 1 573 . 1 1 51 51 PRO CA C 13 65.861 0.300 . 1 . . . . 51 PRO CA . 10248 1 574 . 1 1 51 51 PRO CB C 13 32.458 0.300 . 1 . . . . 51 PRO CB . 10248 1 575 . 1 1 51 51 PRO CD C 13 51.266 0.300 . 1 . . . . 51 PRO CD . 10248 1 576 . 1 1 51 51 PRO CG C 13 27.652 0.300 . 1 . . . . 51 PRO CG . 10248 1 577 . 1 1 52 52 LYS H H 1 8.866 0.030 . 1 . . . . 52 LYS H . 10248 1 578 . 1 1 52 52 LYS HA H 1 4.165 0.030 . 1 . . . . 52 LYS HA . 10248 1 579 . 1 1 52 52 LYS HB2 H 1 1.956 0.030 . 2 . . . . 52 LYS HB2 . 10248 1 580 . 1 1 52 52 LYS HB3 H 1 1.856 0.030 . 2 . . . . 52 LYS HB3 . 10248 1 581 . 1 1 52 52 LYS HD2 H 1 1.755 0.030 . 1 . . . . 52 LYS HD2 . 10248 1 582 . 1 1 52 52 LYS HD3 H 1 1.755 0.030 . 1 . . . . 52 LYS HD3 . 10248 1 583 . 1 1 52 52 LYS HG2 H 1 1.570 0.030 . 2 . . . . 52 LYS HG2 . 10248 1 584 . 1 1 52 52 LYS HG3 H 1 1.484 0.030 . 2 . . . . 52 LYS HG3 . 10248 1 585 . 1 1 52 52 LYS C C 13 179.542 0.300 . 1 . . . . 52 LYS C . 10248 1 586 . 1 1 52 52 LYS CA C 13 59.484 0.300 . 1 . . . . 52 LYS CA . 10248 1 587 . 1 1 52 52 LYS CB C 13 31.906 0.300 . 1 . . . . 52 LYS CB . 10248 1 588 . 1 1 52 52 LYS CD C 13 28.885 0.300 . 1 . . . . 52 LYS CD . 10248 1 589 . 1 1 52 52 LYS CE C 13 41.881 0.300 . 1 . . . . 52 LYS CE . 10248 1 590 . 1 1 52 52 LYS CG C 13 25.102 0.300 . 1 . . . . 52 LYS CG . 10248 1 591 . 1 1 52 52 LYS N N 15 118.625 0.300 . 1 . . . . 52 LYS N . 10248 1 592 . 1 1 53 53 GLU H H 1 7.727 0.030 . 1 . . . . 53 GLU H . 10248 1 593 . 1 1 53 53 GLU HA H 1 4.343 0.030 . 1 . . . . 53 GLU HA . 10248 1 594 . 1 1 53 53 GLU HB2 H 1 2.276 0.030 . 1 . . . . 53 GLU HB2 . 10248 1 595 . 1 1 53 53 GLU HB3 H 1 2.276 0.030 . 1 . . . . 53 GLU HB3 . 10248 1 596 . 1 1 53 53 GLU HG2 H 1 2.485 0.030 . 2 . . . . 53 GLU HG2 . 10248 1 597 . 1 1 53 53 GLU HG3 H 1 2.583 0.030 . 2 . . . . 53 GLU HG3 . 10248 1 598 . 1 1 53 53 GLU C C 13 179.335 0.300 . 1 . . . . 53 GLU C . 10248 1 599 . 1 1 53 53 GLU CA C 13 58.355 0.300 . 1 . . . . 53 GLU CA . 10248 1 600 . 1 1 53 53 GLU CB C 13 29.726 0.300 . 1 . . . . 53 GLU CB . 10248 1 601 . 1 1 53 53 GLU CG C 13 36.041 0.300 . 1 . . . . 53 GLU CG . 10248 1 602 . 1 1 53 53 GLU N N 15 120.460 0.300 . 1 . . . . 53 GLU N . 10248 1 603 . 1 1 54 54 LYS H H 1 8.194 0.030 . 1 . . . . 54 LYS H . 10248 1 604 . 1 1 54 54 LYS HA H 1 3.949 0.030 . 1 . . . . 54 LYS HA . 10248 1 605 . 1 1 54 54 LYS HB2 H 1 1.615 0.030 . 2 . . . . 54 LYS HB2 . 10248 1 606 . 1 1 54 54 LYS HB3 H 1 1.526 0.030 . 2 . . . . 54 LYS HB3 . 10248 1 607 . 1 1 54 54 LYS HD2 H 1 1.042 0.030 . 1 . . . . 54 LYS HD2 . 10248 1 608 . 1 1 54 54 LYS HD3 H 1 1.042 0.030 . 1 . . . . 54 LYS HD3 . 10248 1 609 . 1 1 54 54 LYS HE2 H 1 1.725 0.030 . 2 . . . . 54 LYS HE2 . 10248 1 610 . 1 1 54 54 LYS HE3 H 1 1.665 0.030 . 2 . . . . 54 LYS HE3 . 10248 1 611 . 1 1 54 54 LYS HG2 H 1 0.794 0.030 . 2 . . . . 54 LYS HG2 . 10248 1 612 . 1 1 54 54 LYS HG3 H 1 0.083 0.030 . 2 . . . . 54 LYS HG3 . 10248 1 613 . 1 1 54 54 LYS C C 13 179.566 0.300 . 1 . . . . 54 LYS C . 10248 1 614 . 1 1 54 54 LYS CA C 13 60.920 0.300 . 1 . . . . 54 LYS CA . 10248 1 615 . 1 1 54 54 LYS CB C 13 32.481 0.300 . 1 . . . . 54 LYS CB . 10248 1 616 . 1 1 54 54 LYS CD C 13 29.084 0.300 . 1 . . . . 54 LYS CD . 10248 1 617 . 1 1 54 54 LYS CE C 13 42.045 0.300 . 1 . . . . 54 LYS CE . 10248 1 618 . 1 1 54 54 LYS CG C 13 25.879 0.300 . 1 . . . . 54 LYS CG . 10248 1 619 . 1 1 54 54 LYS N N 15 118.859 0.300 . 1 . . . . 54 LYS N . 10248 1 620 . 1 1 55 55 GLN H H 1 7.965 0.030 . 1 . . . . 55 GLN H . 10248 1 621 . 1 1 55 55 GLN HA H 1 4.025 0.030 . 1 . . . . 55 GLN HA . 10248 1 622 . 1 1 55 55 GLN HB2 H 1 2.314 0.030 . 2 . . . . 55 GLN HB2 . 10248 1 623 . 1 1 55 55 GLN HB3 H 1 2.112 0.030 . 2 . . . . 55 GLN HB3 . 10248 1 624 . 1 1 55 55 GLN HE21 H 1 6.906 0.030 . 2 . . . . 55 GLN HE21 . 10248 1 625 . 1 1 55 55 GLN HE22 H 1 7.924 0.030 . 2 . . . . 55 GLN HE22 . 10248 1 626 . 1 1 55 55 GLN HG2 H 1 2.472 0.030 . 1 . . . . 55 GLN HG2 . 10248 1 627 . 1 1 55 55 GLN HG3 H 1 2.472 0.030 . 1 . . . . 55 GLN HG3 . 10248 1 628 . 1 1 55 55 GLN C C 13 177.154 0.300 . 1 . . . . 55 GLN C . 10248 1 629 . 1 1 55 55 GLN CA C 13 58.064 0.300 . 1 . . . . 55 GLN CA . 10248 1 630 . 1 1 55 55 GLN CB C 13 28.163 0.300 . 1 . . . . 55 GLN CB . 10248 1 631 . 1 1 55 55 GLN CG C 13 33.327 0.300 . 1 . . . . 55 GLN CG . 10248 1 632 . 1 1 55 55 GLN N N 15 117.922 0.300 . 1 . . . . 55 GLN N . 10248 1 633 . 1 1 55 55 GLN NE2 N 15 114.973 0.300 . 1 . . . . 55 GLN NE2 . 10248 1 634 . 1 1 56 56 LYS H H 1 7.483 0.030 . 1 . . . . 56 LYS H . 10248 1 635 . 1 1 56 56 LYS HA H 1 4.205 0.030 . 1 . . . . 56 LYS HA . 10248 1 636 . 1 1 56 56 LYS HB2 H 1 1.846 0.030 . 2 . . . . 56 LYS HB2 . 10248 1 637 . 1 1 56 56 LYS HB3 H 1 1.944 0.030 . 2 . . . . 56 LYS HB3 . 10248 1 638 . 1 1 56 56 LYS HD2 H 1 1.680 0.030 . 1 . . . . 56 LYS HD2 . 10248 1 639 . 1 1 56 56 LYS HD3 H 1 1.680 0.030 . 1 . . . . 56 LYS HD3 . 10248 1 640 . 1 1 56 56 LYS HE2 H 1 2.954 0.030 . 2 . . . . 56 LYS HE2 . 10248 1 641 . 1 1 56 56 LYS HE3 H 1 2.866 0.030 . 2 . . . . 56 LYS HE3 . 10248 1 642 . 1 1 56 56 LYS HG2 H 1 1.284 0.030 . 2 . . . . 56 LYS HG2 . 10248 1 643 . 1 1 56 56 LYS HG3 H 1 1.535 0.030 . 2 . . . . 56 LYS HG3 . 10248 1 644 . 1 1 56 56 LYS C C 13 179.772 0.300 . 1 . . . . 56 LYS C . 10248 1 645 . 1 1 56 56 LYS CA C 13 59.671 0.300 . 1 . . . . 56 LYS CA . 10248 1 646 . 1 1 56 56 LYS CB C 13 31.700 0.300 . 1 . . . . 56 LYS CB . 10248 1 647 . 1 1 56 56 LYS CD C 13 29.461 0.300 . 1 . . . . 56 LYS CD . 10248 1 648 . 1 1 56 56 LYS CE C 13 42.145 0.300 . 1 . . . . 56 LYS CE . 10248 1 649 . 1 1 56 56 LYS CG C 13 24.855 0.300 . 1 . . . . 56 LYS CG . 10248 1 650 . 1 1 56 56 LYS N N 15 118.491 0.300 . 1 . . . . 56 LYS N . 10248 1 651 . 1 1 57 57 TYR H H 1 7.707 0.030 . 1 . . . . 57 TYR H . 10248 1 652 . 1 1 57 57 TYR HA H 1 4.344 0.030 . 1 . . . . 57 TYR HA . 10248 1 653 . 1 1 57 57 TYR HB2 H 1 3.605 0.030 . 2 . . . . 57 TYR HB2 . 10248 1 654 . 1 1 57 57 TYR HB3 H 1 3.505 0.030 . 2 . . . . 57 TYR HB3 . 10248 1 655 . 1 1 57 57 TYR HD1 H 1 7.525 0.030 . 1 . . . . 57 TYR HD1 . 10248 1 656 . 1 1 57 57 TYR HD2 H 1 7.525 0.030 . 1 . . . . 57 TYR HD2 . 10248 1 657 . 1 1 57 57 TYR HE1 H 1 7.039 0.030 . 1 . . . . 57 TYR HE1 . 10248 1 658 . 1 1 57 57 TYR HE2 H 1 7.039 0.030 . 1 . . . . 57 TYR HE2 . 10248 1 659 . 1 1 57 57 TYR C C 13 177.966 0.300 . 1 . . . . 57 TYR C . 10248 1 660 . 1 1 57 57 TYR CA C 13 62.784 0.300 . 1 . . . . 57 TYR CA . 10248 1 661 . 1 1 57 57 TYR CB C 13 38.973 0.300 . 1 . . . . 57 TYR CB . 10248 1 662 . 1 1 57 57 TYR CD1 C 13 133.668 0.300 . 1 . . . . 57 TYR CD1 . 10248 1 663 . 1 1 57 57 TYR CD2 C 13 133.668 0.300 . 1 . . . . 57 TYR CD2 . 10248 1 664 . 1 1 57 57 TYR CE1 C 13 118.266 0.300 . 1 . . . . 57 TYR CE1 . 10248 1 665 . 1 1 57 57 TYR CE2 C 13 118.266 0.300 . 1 . . . . 57 TYR CE2 . 10248 1 666 . 1 1 57 57 TYR N N 15 117.968 0.300 . 1 . . . . 57 TYR N . 10248 1 667 . 1 1 58 58 THR H H 1 8.458 0.030 . 1 . . . . 58 THR H . 10248 1 668 . 1 1 58 58 THR HA H 1 4.074 0.030 . 1 . . . . 58 THR HA . 10248 1 669 . 1 1 58 58 THR HB H 1 4.506 0.030 . 1 . . . . 58 THR HB . 10248 1 670 . 1 1 58 58 THR HG21 H 1 1.392 0.030 . 1 . . . . 58 THR HG2 . 10248 1 671 . 1 1 58 58 THR HG22 H 1 1.392 0.030 . 1 . . . . 58 THR HG2 . 10248 1 672 . 1 1 58 58 THR HG23 H 1 1.392 0.030 . 1 . . . . 58 THR HG2 . 10248 1 673 . 1 1 58 58 THR C C 13 177.203 0.300 . 1 . . . . 58 THR C . 10248 1 674 . 1 1 58 58 THR CA C 13 67.168 0.300 . 1 . . . . 58 THR CA . 10248 1 675 . 1 1 58 58 THR CB C 13 68.401 0.300 . 1 . . . . 58 THR CB . 10248 1 676 . 1 1 58 58 THR CG2 C 13 22.059 0.300 . 1 . . . . 58 THR CG2 . 10248 1 677 . 1 1 58 58 THR N N 15 118.700 0.300 . 1 . . . . 58 THR N . 10248 1 678 . 1 1 59 59 ASP H H 1 8.807 0.030 . 1 . . . . 59 ASP H . 10248 1 679 . 1 1 59 59 ASP HA H 1 4.514 0.030 . 1 . . . . 59 ASP HA . 10248 1 680 . 1 1 59 59 ASP HB2 H 1 2.842 0.030 . 2 . . . . 59 ASP HB2 . 10248 1 681 . 1 1 59 59 ASP HB3 H 1 2.732 0.030 . 2 . . . . 59 ASP HB3 . 10248 1 682 . 1 1 59 59 ASP C C 13 179.154 0.300 . 1 . . . . 59 ASP C . 10248 1 683 . 1 1 59 59 ASP CA C 13 57.754 0.300 . 1 . . . . 59 ASP CA . 10248 1 684 . 1 1 59 59 ASP CB C 13 39.801 0.300 . 1 . . . . 59 ASP CB . 10248 1 685 . 1 1 59 59 ASP N N 15 123.812 0.300 . 1 . . . . 59 ASP N . 10248 1 686 . 1 1 60 60 MET H H 1 8.085 0.030 . 1 . . . . 60 MET H . 10248 1 687 . 1 1 60 60 MET HA H 1 4.161 0.030 . 1 . . . . 60 MET HA . 10248 1 688 . 1 1 60 60 MET HB2 H 1 2.270 0.030 . 2 . . . . 60 MET HB2 . 10248 1 689 . 1 1 60 60 MET HB3 H 1 2.091 0.030 . 2 . . . . 60 MET HB3 . 10248 1 690 . 1 1 60 60 MET HE1 H 1 1.916 0.030 . 1 . . . . 60 MET HE . 10248 1 691 . 1 1 60 60 MET HE2 H 1 1.916 0.030 . 1 . . . . 60 MET HE . 10248 1 692 . 1 1 60 60 MET HE3 H 1 1.916 0.030 . 1 . . . . 60 MET HE . 10248 1 693 . 1 1 60 60 MET HG2 H 1 2.515 0.030 . 2 . . . . 60 MET HG2 . 10248 1 694 . 1 1 60 60 MET HG3 H 1 2.773 0.030 . 2 . . . . 60 MET HG3 . 10248 1 695 . 1 1 60 60 MET C C 13 178.378 0.300 . 1 . . . . 60 MET C . 10248 1 696 . 1 1 60 60 MET CA C 13 58.980 0.300 . 1 . . . . 60 MET CA . 10248 1 697 . 1 1 60 60 MET CB C 13 34.227 0.300 . 1 . . . . 60 MET CB . 10248 1 698 . 1 1 60 60 MET CE C 13 16.550 0.300 . 1 . . . . 60 MET CE . 10248 1 699 . 1 1 60 60 MET CG C 13 31.929 0.300 . 1 . . . . 60 MET CG . 10248 1 700 . 1 1 60 60 MET N N 15 120.481 0.300 . 1 . . . . 60 MET N . 10248 1 701 . 1 1 61 61 ALA H H 1 8.296 0.030 . 1 . . . . 61 ALA H . 10248 1 702 . 1 1 61 61 ALA HA H 1 4.114 0.030 . 1 . . . . 61 ALA HA . 10248 1 703 . 1 1 61 61 ALA HB1 H 1 1.515 0.030 . 1 . . . . 61 ALA HB . 10248 1 704 . 1 1 61 61 ALA HB2 H 1 1.515 0.030 . 1 . . . . 61 ALA HB . 10248 1 705 . 1 1 61 61 ALA HB3 H 1 1.515 0.030 . 1 . . . . 61 ALA HB . 10248 1 706 . 1 1 61 61 ALA C C 13 179.408 0.300 . 1 . . . . 61 ALA C . 10248 1 707 . 1 1 61 61 ALA CA C 13 54.935 0.300 . 1 . . . . 61 ALA CA . 10248 1 708 . 1 1 61 61 ALA CB C 13 17.759 0.300 . 1 . . . . 61 ALA CB . 10248 1 709 . 1 1 61 61 ALA N N 15 121.147 0.300 . 1 . . . . 61 ALA N . 10248 1 710 . 1 1 62 62 LYS H H 1 7.812 0.030 . 1 . . . . 62 LYS H . 10248 1 711 . 1 1 62 62 LYS HA H 1 4.177 0.030 . 1 . . . . 62 LYS HA . 10248 1 712 . 1 1 62 62 LYS HB2 H 1 2.054 0.030 . 1 . . . . 62 LYS HB2 . 10248 1 713 . 1 1 62 62 LYS HB3 H 1 2.054 0.030 . 1 . . . . 62 LYS HB3 . 10248 1 714 . 1 1 62 62 LYS HD2 H 1 1.765 0.030 . 2 . . . . 62 LYS HD2 . 10248 1 715 . 1 1 62 62 LYS HD3 H 1 1.806 0.030 . 2 . . . . 62 LYS HD3 . 10248 1 716 . 1 1 62 62 LYS HE2 H 1 3.061 0.030 . 1 . . . . 62 LYS HE2 . 10248 1 717 . 1 1 62 62 LYS HE3 H 1 3.061 0.030 . 1 . . . . 62 LYS HE3 . 10248 1 718 . 1 1 62 62 LYS HG2 H 1 1.678 0.030 . 2 . . . . 62 LYS HG2 . 10248 1 719 . 1 1 62 62 LYS HG3 H 1 1.535 0.030 . 2 . . . . 62 LYS HG3 . 10248 1 720 . 1 1 62 62 LYS C C 13 177.979 0.300 . 1 . . . . 62 LYS C . 10248 1 721 . 1 1 62 62 LYS CA C 13 59.289 0.300 . 1 . . . . 62 LYS CA . 10248 1 722 . 1 1 62 62 LYS CB C 13 32.539 0.300 . 1 . . . . 62 LYS CB . 10248 1 723 . 1 1 62 62 LYS CD C 13 29.379 0.300 . 1 . . . . 62 LYS CD . 10248 1 724 . 1 1 62 62 LYS CE C 13 42.210 0.300 . 1 . . . . 62 LYS CE . 10248 1 725 . 1 1 62 62 LYS CG C 13 25.184 0.300 . 1 . . . . 62 LYS CG . 10248 1 726 . 1 1 62 62 LYS N N 15 119.686 0.300 . 1 . . . . 62 LYS N . 10248 1 727 . 1 1 63 63 GLU H H 1 7.810 0.030 . 1 . . . . 63 GLU H . 10248 1 728 . 1 1 63 63 GLU HA H 1 4.216 0.030 . 1 . . . . 63 GLU HA . 10248 1 729 . 1 1 63 63 GLU HB2 H 1 2.104 0.030 . 1 . . . . 63 GLU HB2 . 10248 1 730 . 1 1 63 63 GLU HB3 H 1 2.104 0.030 . 1 . . . . 63 GLU HB3 . 10248 1 731 . 1 1 63 63 GLU HG2 H 1 2.254 0.030 . 2 . . . . 63 GLU HG2 . 10248 1 732 . 1 1 63 63 GLU HG3 H 1 2.390 0.030 . 2 . . . . 63 GLU HG3 . 10248 1 733 . 1 1 63 63 GLU C C 13 178.597 0.300 . 1 . . . . 63 GLU C . 10248 1 734 . 1 1 63 63 GLU CA C 13 58.386 0.300 . 1 . . . . 63 GLU CA . 10248 1 735 . 1 1 63 63 GLU CB C 13 29.644 0.300 . 1 . . . . 63 GLU CB . 10248 1 736 . 1 1 63 63 GLU CG C 13 36.288 0.300 . 1 . . . . 63 GLU CG . 10248 1 737 . 1 1 63 63 GLU N N 15 118.765 0.300 . 1 . . . . 63 GLU N . 10248 1 738 . 1 1 64 64 TYR H H 1 8.098 0.030 . 1 . . . . 64 TYR H . 10248 1 739 . 1 1 64 64 TYR HA H 1 4.395 0.030 . 1 . . . . 64 TYR HA . 10248 1 740 . 1 1 64 64 TYR HB2 H 1 3.141 0.030 . 1 . . . . 64 TYR HB2 . 10248 1 741 . 1 1 64 64 TYR HB3 H 1 3.141 0.030 . 1 . . . . 64 TYR HB3 . 10248 1 742 . 1 1 64 64 TYR HD1 H 1 7.173 0.030 . 1 . . . . 64 TYR HD1 . 10248 1 743 . 1 1 64 64 TYR HD2 H 1 7.173 0.030 . 1 . . . . 64 TYR HD2 . 10248 1 744 . 1 1 64 64 TYR HE1 H 1 6.818 0.030 . 1 . . . . 64 TYR HE1 . 10248 1 745 . 1 1 64 64 TYR HE2 H 1 6.818 0.030 . 1 . . . . 64 TYR HE2 . 10248 1 746 . 1 1 64 64 TYR C C 13 177.639 0.300 . 1 . . . . 64 TYR C . 10248 1 747 . 1 1 64 64 TYR CA C 13 60.006 0.300 . 1 . . . . 64 TYR CA . 10248 1 748 . 1 1 64 64 TYR CB C 13 38.198 0.300 . 1 . . . . 64 TYR CB . 10248 1 749 . 1 1 64 64 TYR CD1 C 13 132.938 0.300 . 1 . . . . 64 TYR CD1 . 10248 1 750 . 1 1 64 64 TYR CD2 C 13 132.938 0.300 . 1 . . . . 64 TYR CD2 . 10248 1 751 . 1 1 64 64 TYR CE1 C 13 118.266 0.300 . 1 . . . . 64 TYR CE1 . 10248 1 752 . 1 1 64 64 TYR CE2 C 13 118.266 0.300 . 1 . . . . 64 TYR CE2 . 10248 1 753 . 1 1 64 64 TYR N N 15 119.914 0.300 . 1 . . . . 64 TYR N . 10248 1 754 . 1 1 65 65 LYS H H 1 8.225 0.030 . 1 . . . . 65 LYS H . 10248 1 755 . 1 1 65 65 LYS HA H 1 4.146 0.030 . 1 . . . . 65 LYS HA . 10248 1 756 . 1 1 65 65 LYS HB2 H 1 2.015 0.030 . 2 . . . . 65 LYS HB2 . 10248 1 757 . 1 1 65 65 LYS HB3 H 1 1.952 0.030 . 2 . . . . 65 LYS HB3 . 10248 1 758 . 1 1 65 65 LYS HD2 H 1 1.765 0.030 . 1 . . . . 65 LYS HD2 . 10248 1 759 . 1 1 65 65 LYS HD3 H 1 1.765 0.030 . 1 . . . . 65 LYS HD3 . 10248 1 760 . 1 1 65 65 LYS HE2 H 1 3.055 0.030 . 1 . . . . 65 LYS HE2 . 10248 1 761 . 1 1 65 65 LYS HE3 H 1 3.055 0.030 . 1 . . . . 65 LYS HE3 . 10248 1 762 . 1 1 65 65 LYS HG2 H 1 1.524 0.030 . 1 . . . . 65 LYS HG2 . 10248 1 763 . 1 1 65 65 LYS HG3 H 1 1.524 0.030 . 1 . . . . 65 LYS HG3 . 10248 1 764 . 1 1 65 65 LYS C C 13 177.481 0.300 . 1 . . . . 65 LYS C . 10248 1 765 . 1 1 65 65 LYS CA C 13 58.793 0.300 . 1 . . . . 65 LYS CA . 10248 1 766 . 1 1 65 65 LYS CB C 13 32.523 0.300 . 1 . . . . 65 LYS CB . 10248 1 767 . 1 1 65 65 LYS CD C 13 29.261 0.300 . 1 . . . . 65 LYS CD . 10248 1 768 . 1 1 65 65 LYS CE C 13 42.292 0.300 . 1 . . . . 65 LYS CE . 10248 1 769 . 1 1 65 65 LYS CG C 13 25.137 0.300 . 1 . . . . 65 LYS CG . 10248 1 770 . 1 1 65 65 LYS N N 15 122.842 0.300 . 1 . . . . 65 LYS N . 10248 1 771 . 1 1 66 66 ASP H H 1 8.402 0.030 . 1 . . . . 66 ASP H . 10248 1 772 . 1 1 66 66 ASP HA H 1 4.485 0.030 . 1 . . . . 66 ASP HA . 10248 1 773 . 1 1 66 66 ASP HB2 H 1 2.747 0.030 . 2 . . . . 66 ASP HB2 . 10248 1 774 . 1 1 66 66 ASP HB3 H 1 2.692 0.030 . 2 . . . . 66 ASP HB3 . 10248 1 775 . 1 1 66 66 ASP C C 13 177.930 0.300 . 1 . . . . 66 ASP C . 10248 1 776 . 1 1 66 66 ASP CA C 13 56.423 0.300 . 1 . . . . 66 ASP CA . 10248 1 777 . 1 1 66 66 ASP CB C 13 40.829 0.300 . 1 . . . . 66 ASP CB . 10248 1 778 . 1 1 66 66 ASP N N 15 120.424 0.300 . 1 . . . . 66 ASP N . 10248 1 779 . 1 1 67 67 ALA H H 1 7.989 0.030 . 1 . . . . 67 ALA H . 10248 1 780 . 1 1 67 67 ALA HA H 1 4.151 0.030 . 1 . . . . 67 ALA HA . 10248 1 781 . 1 1 67 67 ALA HB1 H 1 1.412 0.030 . 1 . . . . 67 ALA HB . 10248 1 782 . 1 1 67 67 ALA HB2 H 1 1.412 0.030 . 1 . . . . 67 ALA HB . 10248 1 783 . 1 1 67 67 ALA HB3 H 1 1.412 0.030 . 1 . . . . 67 ALA HB . 10248 1 784 . 1 1 67 67 ALA C C 13 179.457 0.300 . 1 . . . . 67 ALA C . 10248 1 785 . 1 1 67 67 ALA CA C 13 54.274 0.300 . 1 . . . . 67 ALA CA . 10248 1 786 . 1 1 67 67 ALA CB C 13 18.499 0.300 . 1 . . . . 67 ALA CB . 10248 1 787 . 1 1 67 67 ALA N N 15 122.273 0.300 . 1 . . . . 67 ALA N . 10248 1 788 . 1 1 68 68 PHE H H 1 8.235 0.030 . 1 . . . . 68 PHE H . 10248 1 789 . 1 1 68 68 PHE HA H 1 4.314 0.030 . 1 . . . . 68 PHE HA . 10248 1 790 . 1 1 68 68 PHE HB2 H 1 3.210 0.030 . 2 . . . . 68 PHE HB2 . 10248 1 791 . 1 1 68 68 PHE HB3 H 1 3.090 0.030 . 2 . . . . 68 PHE HB3 . 10248 1 792 . 1 1 68 68 PHE HD1 H 1 7.137 0.030 . 1 . . . . 68 PHE HD1 . 10248 1 793 . 1 1 68 68 PHE HD2 H 1 7.137 0.030 . 1 . . . . 68 PHE HD2 . 10248 1 794 . 1 1 68 68 PHE HE1 H 1 7.082 0.030 . 1 . . . . 68 PHE HE1 . 10248 1 795 . 1 1 68 68 PHE HE2 H 1 7.082 0.030 . 1 . . . . 68 PHE HE2 . 10248 1 796 . 1 1 68 68 PHE C C 13 177.421 0.300 . 1 . . . . 68 PHE C . 10248 1 797 . 1 1 68 68 PHE CA C 13 60.193 0.300 . 1 . . . . 68 PHE CA . 10248 1 798 . 1 1 68 68 PHE CB C 13 39.390 0.300 . 1 . . . . 68 PHE CB . 10248 1 799 . 1 1 68 68 PHE CD1 C 13 131.626 0.300 . 1 . . . . 68 PHE CD1 . 10248 1 800 . 1 1 68 68 PHE CD2 C 13 131.626 0.300 . 1 . . . . 68 PHE CD2 . 10248 1 801 . 1 1 68 68 PHE CE1 C 13 129.745 0.300 . 1 . . . . 68 PHE CE1 . 10248 1 802 . 1 1 68 68 PHE CE2 C 13 129.745 0.300 . 1 . . . . 68 PHE CE2 . 10248 1 803 . 1 1 68 68 PHE N N 15 119.632 0.300 . 1 . . . . 68 PHE N . 10248 1 804 . 1 1 69 69 MET H H 1 8.325 0.030 . 1 . . . . 69 MET H . 10248 1 805 . 1 1 69 69 MET HA H 1 4.296 0.030 . 1 . . . . 69 MET HA . 10248 1 806 . 1 1 69 69 MET HB2 H 1 2.152 0.030 . 1 . . . . 69 MET HB2 . 10248 1 807 . 1 1 69 69 MET HB3 H 1 2.152 0.030 . 1 . . . . 69 MET HB3 . 10248 1 808 . 1 1 69 69 MET HE1 H 1 2.193 0.030 . 1 . . . . 69 MET HE . 10248 1 809 . 1 1 69 69 MET HE2 H 1 2.193 0.030 . 1 . . . . 69 MET HE . 10248 1 810 . 1 1 69 69 MET HE3 H 1 2.193 0.030 . 1 . . . . 69 MET HE . 10248 1 811 . 1 1 69 69 MET HG2 H 1 2.787 0.030 . 2 . . . . 69 MET HG2 . 10248 1 812 . 1 1 69 69 MET HG3 H 1 2.684 0.030 . 2 . . . . 69 MET HG3 . 10248 1 813 . 1 1 69 69 MET C C 13 177.651 0.300 . 1 . . . . 69 MET C . 10248 1 814 . 1 1 69 69 MET CA C 13 56.645 0.300 . 1 . . . . 69 MET CA . 10248 1 815 . 1 1 69 69 MET CB C 13 32.108 0.300 . 1 . . . . 69 MET CB . 10248 1 816 . 1 1 69 69 MET CE C 13 16.846 0.300 . 1 . . . . 69 MET CE . 10248 1 817 . 1 1 69 69 MET CG C 13 32.093 0.300 . 1 . . . . 69 MET CG . 10248 1 818 . 1 1 69 69 MET N N 15 119.223 0.300 . 1 . . . . 69 MET N . 10248 1 819 . 1 1 70 70 LYS H H 1 7.864 0.030 . 1 . . . . 70 LYS H . 10248 1 820 . 1 1 70 70 LYS HA H 1 4.092 0.030 . 1 . . . . 70 LYS HA . 10248 1 821 . 1 1 70 70 LYS HB2 H 1 1.850 0.030 . 2 . . . . 70 LYS HB2 . 10248 1 822 . 1 1 70 70 LYS HB3 H 1 1.821 0.030 . 2 . . . . 70 LYS HB3 . 10248 1 823 . 1 1 70 70 LYS HD2 H 1 1.670 0.030 . 1 . . . . 70 LYS HD2 . 10248 1 824 . 1 1 70 70 LYS HD3 H 1 1.670 0.030 . 1 . . . . 70 LYS HD3 . 10248 1 825 . 1 1 70 70 LYS HE2 H 1 2.995 0.030 . 1 . . . . 70 LYS HE2 . 10248 1 826 . 1 1 70 70 LYS HE3 H 1 2.995 0.030 . 1 . . . . 70 LYS HE3 . 10248 1 827 . 1 1 70 70 LYS HG2 H 1 1.523 0.030 . 2 . . . . 70 LYS HG2 . 10248 1 828 . 1 1 70 70 LYS HG3 H 1 1.435 0.030 . 2 . . . . 70 LYS HG3 . 10248 1 829 . 1 1 70 70 LYS C C 13 177.009 0.300 . 1 . . . . 70 LYS C . 10248 1 830 . 1 1 70 70 LYS CA C 13 57.769 0.300 . 1 . . . . 70 LYS CA . 10248 1 831 . 1 1 70 70 LYS CB C 13 32.687 0.300 . 1 . . . . 70 LYS CB . 10248 1 832 . 1 1 70 70 LYS CD C 13 29.297 0.300 . 1 . . . . 70 LYS CD . 10248 1 833 . 1 1 70 70 LYS CE C 13 42.172 0.300 . 1 . . . . 70 LYS CE . 10248 1 834 . 1 1 70 70 LYS CG C 13 25.184 0.300 . 1 . . . . 70 LYS CG . 10248 1 835 . 1 1 70 70 LYS N N 15 120.004 0.300 . 1 . . . . 70 LYS N . 10248 1 836 . 1 1 71 71 ALA H H 1 7.670 0.030 . 1 . . . . 71 ALA H . 10248 1 837 . 1 1 71 71 ALA HA H 1 4.264 0.030 . 1 . . . . 71 ALA HA . 10248 1 838 . 1 1 71 71 ALA HB1 H 1 1.347 0.030 . 1 . . . . 71 ALA HB . 10248 1 839 . 1 1 71 71 ALA HB2 H 1 1.347 0.030 . 1 . . . . 71 ALA HB . 10248 1 840 . 1 1 71 71 ALA HB3 H 1 1.347 0.030 . 1 . . . . 71 ALA HB . 10248 1 841 . 1 1 71 71 ALA C C 13 177.009 0.300 . 1 . . . . 71 ALA C . 10248 1 842 . 1 1 71 71 ALA CA C 13 52.603 0.300 . 1 . . . . 71 ALA CA . 10248 1 843 . 1 1 71 71 ALA CB C 13 19.321 0.300 . 1 . . . . 71 ALA CB . 10248 1 844 . 1 1 71 71 ALA N N 15 121.270 0.300 . 1 . . . . 71 ALA N . 10248 1 845 . 1 1 72 72 ASN H H 1 7.846 0.030 . 1 . . . . 72 ASN H . 10248 1 846 . 1 1 72 72 ASN HA H 1 4.972 0.030 . 1 . . . . 72 ASN HA . 10248 1 847 . 1 1 72 72 ASN HB2 H 1 2.543 0.030 . 2 . . . . 72 ASN HB2 . 10248 1 848 . 1 1 72 72 ASN HB3 H 1 2.424 0.030 . 2 . . . . 72 ASN HB3 . 10248 1 849 . 1 1 72 72 ASN HD21 H 1 7.022 0.030 . 2 . . . . 72 ASN HD21 . 10248 1 850 . 1 1 72 72 ASN HD22 H 1 6.805 0.030 . 2 . . . . 72 ASN HD22 . 10248 1 851 . 1 1 72 72 ASN C C 13 172.453 0.300 . 1 . . . . 72 ASN C . 10248 1 852 . 1 1 72 72 ASN CA C 13 51.185 0.300 . 1 . . . . 72 ASN CA . 10248 1 853 . 1 1 72 72 ASN CB C 13 39.350 0.300 . 1 . . . . 72 ASN CB . 10248 1 854 . 1 1 72 72 ASN N N 15 117.432 0.300 . 1 . . . . 72 ASN N . 10248 1 855 . 1 1 72 72 ASN ND2 N 15 115.229 0.300 . 1 . . . . 72 ASN ND2 . 10248 1 856 . 1 1 73 73 PRO HA H 1 4.465 0.030 . 1 . . . . 73 PRO HA . 10248 1 857 . 1 1 73 73 PRO HB2 H 1 2.305 0.030 . 2 . . . . 73 PRO HB2 . 10248 1 858 . 1 1 73 73 PRO HB3 H 1 1.949 0.030 . 2 . . . . 73 PRO HB3 . 10248 1 859 . 1 1 73 73 PRO HD2 H 1 3.599 0.030 . 2 . . . . 73 PRO HD2 . 10248 1 860 . 1 1 73 73 PRO HD3 H 1 3.667 0.030 . 2 . . . . 73 PRO HD3 . 10248 1 861 . 1 1 73 73 PRO HG2 H 1 2.013 0.030 . 1 . . . . 73 PRO HG2 . 10248 1 862 . 1 1 73 73 PRO HG3 H 1 2.013 0.030 . 1 . . . . 73 PRO HG3 . 10248 1 863 . 1 1 73 73 PRO C C 13 177.857 0.300 . 1 . . . . 73 PRO C . 10248 1 864 . 1 1 73 73 PRO CA C 13 63.972 0.300 . 1 . . . . 73 PRO CA . 10248 1 865 . 1 1 73 73 PRO CB C 13 31.884 0.300 . 1 . . . . 73 PRO CB . 10248 1 866 . 1 1 73 73 PRO CD C 13 50.482 0.300 . 1 . . . . 73 PRO CD . 10248 1 867 . 1 1 73 73 PRO CG C 13 27.276 0.300 . 1 . . . . 73 PRO CG . 10248 1 868 . 1 1 74 74 GLY H H 1 8.538 0.030 . 1 . . . . 74 GLY H . 10248 1 869 . 1 1 74 74 GLY HA2 H 1 3.881 0.030 . 2 . . . . 74 GLY HA2 . 10248 1 870 . 1 1 74 74 GLY HA3 H 1 3.957 0.030 . 2 . . . . 74 GLY HA3 . 10248 1 871 . 1 1 74 74 GLY C C 13 174.210 0.300 . 1 . . . . 74 GLY C . 10248 1 872 . 1 1 74 74 GLY CA C 13 45.216 0.300 . 1 . . . . 74 GLY CA . 10248 1 873 . 1 1 74 74 GLY N N 15 108.444 0.300 . 1 . . . . 74 GLY N . 10248 1 874 . 1 1 75 75 TYR H H 1 7.878 0.030 . 1 . . . . 75 TYR H . 10248 1 875 . 1 1 75 75 TYR HA H 1 4.449 0.030 . 1 . . . . 75 TYR HA . 10248 1 876 . 1 1 75 75 TYR HB2 H 1 3.056 0.030 . 2 . . . . 75 TYR HB2 . 10248 1 877 . 1 1 75 75 TYR HB3 H 1 3.122 0.030 . 2 . . . . 75 TYR HB3 . 10248 1 878 . 1 1 75 75 TYR HD1 H 1 7.151 0.030 . 1 . . . . 75 TYR HD1 . 10248 1 879 . 1 1 75 75 TYR HD2 H 1 7.151 0.030 . 1 . . . . 75 TYR HD2 . 10248 1 880 . 1 1 75 75 TYR HE1 H 1 6.845 0.030 . 1 . . . . 75 TYR HE1 . 10248 1 881 . 1 1 75 75 TYR HE2 H 1 6.845 0.030 . 1 . . . . 75 TYR HE2 . 10248 1 882 . 1 1 75 75 TYR C C 13 175.640 0.300 . 1 . . . . 75 TYR C . 10248 1 883 . 1 1 75 75 TYR CA C 13 58.778 0.300 . 1 . . . . 75 TYR CA . 10248 1 884 . 1 1 75 75 TYR CB C 13 38.856 0.300 . 1 . . . . 75 TYR CB . 10248 1 885 . 1 1 75 75 TYR CD1 C 13 133.206 0.300 . 1 . . . . 75 TYR CD1 . 10248 1 886 . 1 1 75 75 TYR CD2 C 13 133.206 0.300 . 1 . . . . 75 TYR CD2 . 10248 1 887 . 1 1 75 75 TYR CE1 C 13 118.320 0.300 . 1 . . . . 75 TYR CE1 . 10248 1 888 . 1 1 75 75 TYR CE2 C 13 118.320 0.300 . 1 . . . . 75 TYR CE2 . 10248 1 889 . 1 1 75 75 TYR N N 15 120.970 0.300 . 1 . . . . 75 TYR N . 10248 1 890 . 1 1 76 76 ARG H H 1 8.039 0.030 . 1 . . . . 76 ARG H . 10248 1 891 . 1 1 76 76 ARG HA H 1 4.346 0.030 . 1 . . . . 76 ARG HA . 10248 1 892 . 1 1 76 76 ARG HB2 H 1 1.815 0.030 . 2 . . . . 76 ARG HB2 . 10248 1 893 . 1 1 76 76 ARG HB3 H 1 1.686 0.030 . 2 . . . . 76 ARG HB3 . 10248 1 894 . 1 1 76 76 ARG HD2 H 1 3.183 0.030 . 1 . . . . 76 ARG HD2 . 10248 1 895 . 1 1 76 76 ARG HD3 H 1 3.183 0.030 . 1 . . . . 76 ARG HD3 . 10248 1 896 . 1 1 76 76 ARG HG2 H 1 1.564 0.030 . 1 . . . . 76 ARG HG2 . 10248 1 897 . 1 1 76 76 ARG HG3 H 1 1.564 0.030 . 1 . . . . 76 ARG HG3 . 10248 1 898 . 1 1 76 76 ARG C C 13 175.482 0.300 . 1 . . . . 76 ARG C . 10248 1 899 . 1 1 76 76 ARG CA C 13 55.510 0.300 . 1 . . . . 76 ARG CA . 10248 1 900 . 1 1 76 76 ARG CB C 13 31.307 0.300 . 1 . . . . 76 ARG CB . 10248 1 901 . 1 1 76 76 ARG CD C 13 43.423 0.300 . 1 . . . . 76 ARG CD . 10248 1 902 . 1 1 76 76 ARG CG C 13 26.860 0.300 . 1 . . . . 76 ARG CG . 10248 1 903 . 1 1 76 76 ARG N N 15 124.540 0.300 . 1 . . . . 76 ARG N . 10248 1 904 . 1 1 77 77 SER HA H 1 4.430 0.030 . 1 . . . . 77 SER HA . 10248 1 905 . 1 1 77 77 SER HB2 H 1 3.906 0.030 . 1 . . . . 77 SER HB2 . 10248 1 906 . 1 1 77 77 SER HB3 H 1 3.906 0.030 . 1 . . . . 77 SER HB3 . 10248 1 907 . 1 1 77 77 SER CA C 13 58.319 0.300 . 1 . . . . 77 SER CA . 10248 1 908 . 1 1 77 77 SER CB C 13 63.982 0.300 . 1 . . . . 77 SER CB . 10248 1 909 . 1 1 78 78 GLY HA2 H 1 4.154 0.030 . 1 . . . . 78 GLY HA2 . 10248 1 910 . 1 1 78 78 GLY HA3 H 1 4.154 0.030 . 1 . . . . 78 GLY HA3 . 10248 1 911 . 1 1 78 78 GLY CA C 13 44.731 0.300 . 1 . . . . 78 GLY CA . 10248 1 912 . 1 1 79 79 PRO HA H 1 4.495 0.030 . 1 . . . . 79 PRO HA . 10248 1 913 . 1 1 79 79 PRO HB2 H 1 2.315 0.030 . 2 . . . . 79 PRO HB2 . 10248 1 914 . 1 1 79 79 PRO HB3 H 1 2.012 0.030 . 2 . . . . 79 PRO HB3 . 10248 1 915 . 1 1 79 79 PRO HD2 H 1 3.635 0.030 . 2 . . . . 79 PRO HD2 . 10248 1 916 . 1 1 79 79 PRO HD3 H 1 3.665 0.030 . 2 . . . . 79 PRO HD3 . 10248 1 917 . 1 1 79 79 PRO CA C 13 63.366 0.300 . 1 . . . . 79 PRO CA . 10248 1 918 . 1 1 79 79 PRO CB C 13 32.289 0.300 . 1 . . . . 79 PRO CB . 10248 1 919 . 1 1 79 79 PRO CD C 13 49.844 0.300 . 1 . . . . 79 PRO CD . 10248 1 920 . 1 1 79 79 PRO CG C 13 27.228 0.300 . 1 . . . . 79 PRO CG . 10248 1 stop_ save_