data_10263 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10263 _Entry.Title ; Solution structures of the 6th fn3 domain of human receptor-type tyrosine-protein phosphatase F ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-11-21 _Entry.Accession_date 2008-11-21 _Entry.Last_release_date 2009-11-24 _Entry.Original_release_date 2009-11-24 _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 M. Sato . . . 10263 2 N. Tochio . . . 10263 3 S. Koshiba . . . 10263 4 M. Inoue . . . 10263 5 T. Kigawa . . . 10263 6 S. Yokoyama . . . 10263 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' 10263 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10263 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 447 10263 '15N chemical shifts' 103 10263 '1H chemical shifts' 695 10263 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 . . 2009-11-24 2008-11-21 original author . 10263 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DN7 'BMRB Entry Tracking System' 10263 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10263 _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 structures of the 6th fn3 domain of human receptor-type tyrosine-protein phosphatase F ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Sato . . . 10263 1 2 N. Tochio . . . 10263 1 3 S. Koshiba . . . 10263 1 4 M. Inoue . . . 10263 1 5 T. Kigawa . . . 10263 1 6 S. Yokoyama . . . 10263 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10263 _Assembly.ID 1 _Assembly.Name 'Receptor-type tyrosine-protein phosphatase F' _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 E.C.3.1.3.48 _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 'Fibronectin type III domain' 1 $entity_1 . . yes native no no . . . 10263 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 2DN7 . . . . . . 10263 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10263 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Fibronectin type III 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 ; GSSGSSGPGRPTMMISTTAM NTALLQWHPPKELPGELLGY RLQYCRADEARPNTIDFGKD DQHFTVTGLHKGTTYIFRLA AKNRAGLGEEFEKEIRTPED LSGPSSG ; _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 107 _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 2DN7 . "Solution Structures Of The 6th Fn3 Domain Of Human Receptor- Type Tyrosine-Protein Phosphatase F" . . . . . 100.00 107 100.00 100.00 4.39e-72 . . . . 10263 1 2 no DBJ BAG54183 . "unnamed protein product [Homo sapiens]" . . . . . 87.85 1266 100.00 100.00 2.11e-57 . . . . 10263 1 3 no EMBL CAD97607 . "hypothetical protein [Homo sapiens]" . . . . . 87.85 1191 100.00 100.00 2.32e-57 . . . . 10263 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Fibronectin type III domain' . 10263 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 . 10263 1 2 . SER . 10263 1 3 . SER . 10263 1 4 . GLY . 10263 1 5 . SER . 10263 1 6 . SER . 10263 1 7 . GLY . 10263 1 8 . PRO . 10263 1 9 . GLY . 10263 1 10 . ARG . 10263 1 11 . PRO . 10263 1 12 . THR . 10263 1 13 . MET . 10263 1 14 . MET . 10263 1 15 . ILE . 10263 1 16 . SER . 10263 1 17 . THR . 10263 1 18 . THR . 10263 1 19 . ALA . 10263 1 20 . MET . 10263 1 21 . ASN . 10263 1 22 . THR . 10263 1 23 . ALA . 10263 1 24 . LEU . 10263 1 25 . LEU . 10263 1 26 . GLN . 10263 1 27 . TRP . 10263 1 28 . HIS . 10263 1 29 . PRO . 10263 1 30 . PRO . 10263 1 31 . LYS . 10263 1 32 . GLU . 10263 1 33 . LEU . 10263 1 34 . PRO . 10263 1 35 . GLY . 10263 1 36 . GLU . 10263 1 37 . LEU . 10263 1 38 . LEU . 10263 1 39 . GLY . 10263 1 40 . TYR . 10263 1 41 . ARG . 10263 1 42 . LEU . 10263 1 43 . GLN . 10263 1 44 . TYR . 10263 1 45 . CYS . 10263 1 46 . ARG . 10263 1 47 . ALA . 10263 1 48 . ASP . 10263 1 49 . GLU . 10263 1 50 . ALA . 10263 1 51 . ARG . 10263 1 52 . PRO . 10263 1 53 . ASN . 10263 1 54 . THR . 10263 1 55 . ILE . 10263 1 56 . ASP . 10263 1 57 . PHE . 10263 1 58 . GLY . 10263 1 59 . LYS . 10263 1 60 . ASP . 10263 1 61 . ASP . 10263 1 62 . GLN . 10263 1 63 . HIS . 10263 1 64 . PHE . 10263 1 65 . THR . 10263 1 66 . VAL . 10263 1 67 . THR . 10263 1 68 . GLY . 10263 1 69 . LEU . 10263 1 70 . HIS . 10263 1 71 . LYS . 10263 1 72 . GLY . 10263 1 73 . THR . 10263 1 74 . THR . 10263 1 75 . TYR . 10263 1 76 . ILE . 10263 1 77 . PHE . 10263 1 78 . ARG . 10263 1 79 . LEU . 10263 1 80 . ALA . 10263 1 81 . ALA . 10263 1 82 . LYS . 10263 1 83 . ASN . 10263 1 84 . ARG . 10263 1 85 . ALA . 10263 1 86 . GLY . 10263 1 87 . LEU . 10263 1 88 . GLY . 10263 1 89 . GLU . 10263 1 90 . GLU . 10263 1 91 . PHE . 10263 1 92 . GLU . 10263 1 93 . LYS . 10263 1 94 . GLU . 10263 1 95 . ILE . 10263 1 96 . ARG . 10263 1 97 . THR . 10263 1 98 . PRO . 10263 1 99 . GLU . 10263 1 100 . ASP . 10263 1 101 . LEU . 10263 1 102 . SER . 10263 1 103 . GLY . 10263 1 104 . PRO . 10263 1 105 . SER . 10263 1 106 . SER . 10263 1 107 . GLY . 10263 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 10263 1 . SER 2 2 10263 1 . SER 3 3 10263 1 . GLY 4 4 10263 1 . SER 5 5 10263 1 . SER 6 6 10263 1 . GLY 7 7 10263 1 . PRO 8 8 10263 1 . GLY 9 9 10263 1 . ARG 10 10 10263 1 . PRO 11 11 10263 1 . THR 12 12 10263 1 . MET 13 13 10263 1 . MET 14 14 10263 1 . ILE 15 15 10263 1 . SER 16 16 10263 1 . THR 17 17 10263 1 . THR 18 18 10263 1 . ALA 19 19 10263 1 . MET 20 20 10263 1 . ASN 21 21 10263 1 . THR 22 22 10263 1 . ALA 23 23 10263 1 . LEU 24 24 10263 1 . LEU 25 25 10263 1 . GLN 26 26 10263 1 . TRP 27 27 10263 1 . HIS 28 28 10263 1 . PRO 29 29 10263 1 . PRO 30 30 10263 1 . LYS 31 31 10263 1 . GLU 32 32 10263 1 . LEU 33 33 10263 1 . PRO 34 34 10263 1 . GLY 35 35 10263 1 . GLU 36 36 10263 1 . LEU 37 37 10263 1 . LEU 38 38 10263 1 . GLY 39 39 10263 1 . TYR 40 40 10263 1 . ARG 41 41 10263 1 . LEU 42 42 10263 1 . GLN 43 43 10263 1 . TYR 44 44 10263 1 . CYS 45 45 10263 1 . ARG 46 46 10263 1 . ALA 47 47 10263 1 . ASP 48 48 10263 1 . GLU 49 49 10263 1 . ALA 50 50 10263 1 . ARG 51 51 10263 1 . PRO 52 52 10263 1 . ASN 53 53 10263 1 . THR 54 54 10263 1 . ILE 55 55 10263 1 . ASP 56 56 10263 1 . PHE 57 57 10263 1 . GLY 58 58 10263 1 . LYS 59 59 10263 1 . ASP 60 60 10263 1 . ASP 61 61 10263 1 . GLN 62 62 10263 1 . HIS 63 63 10263 1 . PHE 64 64 10263 1 . THR 65 65 10263 1 . VAL 66 66 10263 1 . THR 67 67 10263 1 . GLY 68 68 10263 1 . LEU 69 69 10263 1 . HIS 70 70 10263 1 . LYS 71 71 10263 1 . GLY 72 72 10263 1 . THR 73 73 10263 1 . THR 74 74 10263 1 . TYR 75 75 10263 1 . ILE 76 76 10263 1 . PHE 77 77 10263 1 . ARG 78 78 10263 1 . LEU 79 79 10263 1 . ALA 80 80 10263 1 . ALA 81 81 10263 1 . LYS 82 82 10263 1 . ASN 83 83 10263 1 . ARG 84 84 10263 1 . ALA 85 85 10263 1 . GLY 86 86 10263 1 . LEU 87 87 10263 1 . GLY 88 88 10263 1 . GLU 89 89 10263 1 . GLU 90 90 10263 1 . PHE 91 91 10263 1 . GLU 92 92 10263 1 . LYS 93 93 10263 1 . GLU 94 94 10263 1 . ILE 95 95 10263 1 . ARG 96 96 10263 1 . THR 97 97 10263 1 . PRO 98 98 10263 1 . GLU 99 99 10263 1 . ASP 100 100 10263 1 . LEU 101 101 10263 1 . SER 102 102 10263 1 . GLY 103 103 10263 1 . PRO 104 104 10263 1 . SER 105 105 10263 1 . SER 106 106 10263 1 . GLY 107 107 10263 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 10263 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10263 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 10263 _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 . . P050719-01 . . . . . . 10263 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10263 _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 'fn3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1 . . mM . . . . 10263 1 2 'd-Tris HCl' . . . . . . buffer 20 . . mM . . . . 10263 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10263 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10263 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10263 1 6 H2O . . . . . . solvent 90 . . % . . . . 10263 1 7 D2O . . . . . . solvent 10 . . % . . . . 10263 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 10263 _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 10263 1 pH 7.0 0.05 pH 10263 1 pressure 1 0.001 atm 10263 1 temperature 296 0.1 K 10263 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10263 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10263 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10263 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10263 _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.' . . 10263 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10263 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10263 _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.' . . 10263 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10263 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10263 _Software.ID 4 _Software.Name Kujira _Software.Version 0.932 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10263 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10263 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10263 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10263 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10263 5 'structure solution' 10263 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 10263 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 10263 _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 . 900 . . . 10263 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 10263 _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 . . . . . . . . . . . . . . . . 10263 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10263 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 10263 _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 . . . . . . . . . 10263 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10263 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10263 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 10263 _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 10263 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10263 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER C C 13 174.723 0.300 . 1 . . . . 2 SER C . 10263 1 2 . 1 1 2 2 SER CA C 13 58.446 0.300 . 1 . . . . 2 SER CA . 10263 1 3 . 1 1 2 2 SER CB C 13 63.566 0.300 . 1 . . . . 2 SER CB . 10263 1 4 . 1 1 3 3 SER H H 1 8.350 0.030 . 1 . . . . 3 SER H . 10263 1 5 . 1 1 3 3 SER C C 13 173.961 0.300 . 1 . . . . 3 SER C . 10263 1 6 . 1 1 3 3 SER CA C 13 58.428 0.300 . 1 . . . . 3 SER CA . 10263 1 7 . 1 1 3 3 SER CB C 13 63.937 0.300 . 1 . . . . 3 SER CB . 10263 1 8 . 1 1 3 3 SER N N 15 117.923 0.300 . 1 . . . . 3 SER N . 10263 1 9 . 1 1 4 4 GLY H H 1 8.050 0.030 . 1 . . . . 4 GLY H . 10263 1 10 . 1 1 4 4 GLY C C 13 179.009 0.300 . 1 . . . . 4 GLY C . 10263 1 11 . 1 1 4 4 GLY CA C 13 46.174 0.300 . 1 . . . . 4 GLY CA . 10263 1 12 . 1 1 4 4 GLY N N 15 116.890 0.300 . 1 . . . . 4 GLY N . 10263 1 13 . 1 1 7 7 GLY HA2 H 1 4.340 0.030 . 2 . . . . 7 GLY HA2 . 10263 1 14 . 1 1 7 7 GLY HA3 H 1 3.629 0.030 . 2 . . . . 7 GLY HA3 . 10263 1 15 . 1 1 7 7 GLY CA C 13 44.381 0.300 . 1 . . . . 7 GLY CA . 10263 1 16 . 1 1 8 8 PRO HA H 1 4.476 0.030 . 1 . . . . 8 PRO HA . 10263 1 17 . 1 1 8 8 PRO HB2 H 1 2.240 0.030 . 2 . . . . 8 PRO HB2 . 10263 1 18 . 1 1 8 8 PRO HB3 H 1 2.088 0.030 . 2 . . . . 8 PRO HB3 . 10263 1 19 . 1 1 8 8 PRO HD2 H 1 3.573 0.030 . 2 . . . . 8 PRO HD2 . 10263 1 20 . 1 1 8 8 PRO HD3 H 1 3.250 0.030 . 2 . . . . 8 PRO HD3 . 10263 1 21 . 1 1 8 8 PRO HG2 H 1 1.771 0.030 . 2 . . . . 8 PRO HG2 . 10263 1 22 . 1 1 8 8 PRO HG3 H 1 1.660 0.030 . 2 . . . . 8 PRO HG3 . 10263 1 23 . 1 1 8 8 PRO C C 13 176.235 0.300 . 1 . . . . 8 PRO C . 10263 1 24 . 1 1 8 8 PRO CA C 13 62.995 0.300 . 1 . . . . 8 PRO CA . 10263 1 25 . 1 1 8 8 PRO CB C 13 33.266 0.300 . 1 . . . . 8 PRO CB . 10263 1 26 . 1 1 8 8 PRO CD C 13 49.333 0.300 . 1 . . . . 8 PRO CD . 10263 1 27 . 1 1 8 8 PRO CG C 13 27.633 0.300 . 1 . . . . 8 PRO CG . 10263 1 28 . 1 1 9 9 GLY H H 1 8.585 0.030 . 1 . . . . 9 GLY H . 10263 1 29 . 1 1 9 9 GLY HA2 H 1 4.326 0.030 . 2 . . . . 9 GLY HA2 . 10263 1 30 . 1 1 9 9 GLY HA3 H 1 4.009 0.030 . 2 . . . . 9 GLY HA3 . 10263 1 31 . 1 1 9 9 GLY C C 13 172.998 0.300 . 1 . . . . 9 GLY C . 10263 1 32 . 1 1 9 9 GLY CA C 13 44.393 0.300 . 1 . . . . 9 GLY CA . 10263 1 33 . 1 1 9 9 GLY N N 15 106.004 0.300 . 1 . . . . 9 GLY N . 10263 1 34 . 1 1 10 10 ARG H H 1 8.548 0.030 . 1 . . . . 10 ARG H . 10263 1 35 . 1 1 10 10 ARG HA H 1 4.654 0.030 . 1 . . . . 10 ARG HA . 10263 1 36 . 1 1 10 10 ARG HB2 H 1 1.927 0.030 . 2 . . . . 10 ARG HB2 . 10263 1 37 . 1 1 10 10 ARG HB3 H 1 1.828 0.030 . 2 . . . . 10 ARG HB3 . 10263 1 38 . 1 1 10 10 ARG HD2 H 1 3.328 0.030 . 2 . . . . 10 ARG HD2 . 10263 1 39 . 1 1 10 10 ARG HG2 H 1 1.810 0.030 . 2 . . . . 10 ARG HG2 . 10263 1 40 . 1 1 10 10 ARG HG3 H 1 1.750 0.030 . 2 . . . . 10 ARG HG3 . 10263 1 41 . 1 1 10 10 ARG C C 13 175.780 0.300 . 1 . . . . 10 ARG C . 10263 1 42 . 1 1 10 10 ARG CA C 13 54.708 0.300 . 1 . . . . 10 ARG CA . 10263 1 43 . 1 1 10 10 ARG CB C 13 31.448 0.300 . 1 . . . . 10 ARG CB . 10263 1 44 . 1 1 10 10 ARG CG C 13 27.249 0.300 . 1 . . . . 10 ARG CG . 10263 1 45 . 1 1 10 10 ARG N N 15 119.407 0.300 . 1 . . . . 10 ARG N . 10263 1 46 . 1 1 11 11 PRO HA H 1 4.611 0.030 . 1 . . . . 11 PRO HA . 10263 1 47 . 1 1 11 11 PRO HB2 H 1 2.231 0.030 . 2 . . . . 11 PRO HB2 . 10263 1 48 . 1 1 11 11 PRO HB3 H 1 2.110 0.030 . 2 . . . . 11 PRO HB3 . 10263 1 49 . 1 1 11 11 PRO HD2 H 1 4.475 0.030 . 2 . . . . 11 PRO HD2 . 10263 1 50 . 1 1 11 11 PRO HD3 H 1 3.945 0.030 . 2 . . . . 11 PRO HD3 . 10263 1 51 . 1 1 11 11 PRO HG2 H 1 2.017 0.030 . 2 . . . . 11 PRO HG2 . 10263 1 52 . 1 1 11 11 PRO HG3 H 1 1.770 0.030 . 2 . . . . 11 PRO HG3 . 10263 1 53 . 1 1 11 11 PRO C C 13 173.510 0.300 . 1 . . . . 11 PRO C . 10263 1 54 . 1 1 11 11 PRO CA C 13 62.360 0.300 . 1 . . . . 11 PRO CA . 10263 1 55 . 1 1 11 11 PRO CB C 13 33.402 0.300 . 1 . . . . 11 PRO CB . 10263 1 56 . 1 1 11 11 PRO CD C 13 50.031 0.300 . 1 . . . . 11 PRO CD . 10263 1 57 . 1 1 11 11 PRO CG C 13 27.633 0.300 . 1 . . . . 11 PRO CG . 10263 1 58 . 1 1 12 12 THR H H 1 7.572 0.030 . 1 . . . . 12 THR H . 10263 1 59 . 1 1 12 12 THR HA H 1 3.796 0.030 . 1 . . . . 12 THR HA . 10263 1 60 . 1 1 12 12 THR HB H 1 3.771 0.030 . 1 . . . . 12 THR HB . 10263 1 61 . 1 1 12 12 THR HG21 H 1 1.094 0.030 . 1 . . . . 12 THR HG2 . 10263 1 62 . 1 1 12 12 THR HG22 H 1 1.094 0.030 . 1 . . . . 12 THR HG2 . 10263 1 63 . 1 1 12 12 THR HG23 H 1 1.094 0.030 . 1 . . . . 12 THR HG2 . 10263 1 64 . 1 1 12 12 THR C C 13 172.337 0.300 . 1 . . . . 12 THR C . 10263 1 65 . 1 1 12 12 THR CA C 13 61.778 0.300 . 1 . . . . 12 THR CA . 10263 1 66 . 1 1 12 12 THR CB C 13 70.561 0.300 . 1 . . . . 12 THR CB . 10263 1 67 . 1 1 12 12 THR CG2 C 13 21.869 0.300 . 1 . . . . 12 THR CG2 . 10263 1 68 . 1 1 12 12 THR N N 15 109.653 0.300 . 1 . . . . 12 THR N . 10263 1 69 . 1 1 13 13 MET H H 1 5.605 0.030 . 1 . . . . 13 MET H . 10263 1 70 . 1 1 13 13 MET HA H 1 5.091 0.030 . 1 . . . . 13 MET HA . 10263 1 71 . 1 1 13 13 MET HB2 H 1 1.586 0.030 . 2 . . . . 13 MET HB2 . 10263 1 72 . 1 1 13 13 MET HB3 H 1 1.431 0.030 . 2 . . . . 13 MET HB3 . 10263 1 73 . 1 1 13 13 MET HE1 H 1 1.874 0.030 . 1 . . . . 13 MET HE . 10263 1 74 . 1 1 13 13 MET HE2 H 1 1.874 0.030 . 1 . . . . 13 MET HE . 10263 1 75 . 1 1 13 13 MET HE3 H 1 1.874 0.030 . 1 . . . . 13 MET HE . 10263 1 76 . 1 1 13 13 MET HG2 H 1 2.289 0.030 . 2 . . . . 13 MET HG2 . 10263 1 77 . 1 1 13 13 MET HG3 H 1 2.122 0.030 . 2 . . . . 13 MET HG3 . 10263 1 78 . 1 1 13 13 MET C C 13 172.639 0.300 . 1 . . . . 13 MET C . 10263 1 79 . 1 1 13 13 MET CA C 13 54.168 0.300 . 1 . . . . 13 MET CA . 10263 1 80 . 1 1 13 13 MET CB C 13 37.632 0.300 . 1 . . . . 13 MET CB . 10263 1 81 . 1 1 13 13 MET CE C 13 16.989 0.300 . 1 . . . . 13 MET CE . 10263 1 82 . 1 1 13 13 MET CG C 13 30.913 0.300 . 1 . . . . 13 MET CG . 10263 1 83 . 1 1 13 13 MET N N 15 121.634 0.300 . 1 . . . . 13 MET N . 10263 1 84 . 1 1 14 14 MET H H 1 9.254 0.030 . 1 . . . . 14 MET H . 10263 1 85 . 1 1 14 14 MET HA H 1 4.662 0.030 . 1 . . . . 14 MET HA . 10263 1 86 . 1 1 14 14 MET HB2 H 1 2.048 0.030 . 2 . . . . 14 MET HB2 . 10263 1 87 . 1 1 14 14 MET HB3 H 1 1.867 0.030 . 2 . . . . 14 MET HB3 . 10263 1 88 . 1 1 14 14 MET HE1 H 1 1.909 0.030 . 1 . . . . 14 MET HE . 10263 1 89 . 1 1 14 14 MET HE2 H 1 1.909 0.030 . 1 . . . . 14 MET HE . 10263 1 90 . 1 1 14 14 MET HE3 H 1 1.909 0.030 . 1 . . . . 14 MET HE . 10263 1 91 . 1 1 14 14 MET HG2 H 1 2.534 0.030 . 2 . . . . 14 MET HG2 . 10263 1 92 . 1 1 14 14 MET HG3 H 1 2.482 0.030 . 2 . . . . 14 MET HG3 . 10263 1 93 . 1 1 14 14 MET C C 13 174.388 0.300 . 1 . . . . 14 MET C . 10263 1 94 . 1 1 14 14 MET CA C 13 54.673 0.300 . 1 . . . . 14 MET CA . 10263 1 95 . 1 1 14 14 MET CB C 13 34.907 0.300 . 1 . . . . 14 MET CB . 10263 1 96 . 1 1 14 14 MET CE C 13 16.937 0.300 . 1 . . . . 14 MET CE . 10263 1 97 . 1 1 14 14 MET CG C 13 32.258 0.300 . 1 . . . . 14 MET CG . 10263 1 98 . 1 1 14 14 MET N N 15 125.746 0.300 . 1 . . . . 14 MET N . 10263 1 99 . 1 1 15 15 ILE H H 1 8.555 0.030 . 1 . . . . 15 ILE H . 10263 1 100 . 1 1 15 15 ILE HA H 1 4.882 0.030 . 1 . . . . 15 ILE HA . 10263 1 101 . 1 1 15 15 ILE HB H 1 1.454 0.030 . 1 . . . . 15 ILE HB . 10263 1 102 . 1 1 15 15 ILE HD11 H 1 0.367 0.030 . 1 . . . . 15 ILE HD1 . 10263 1 103 . 1 1 15 15 ILE HD12 H 1 0.367 0.030 . 1 . . . . 15 ILE HD1 . 10263 1 104 . 1 1 15 15 ILE HD13 H 1 0.367 0.030 . 1 . . . . 15 ILE HD1 . 10263 1 105 . 1 1 15 15 ILE HG12 H 1 1.303 0.030 . 2 . . . . 15 ILE HG12 . 10263 1 106 . 1 1 15 15 ILE HG13 H 1 0.648 0.030 . 2 . . . . 15 ILE HG13 . 10263 1 107 . 1 1 15 15 ILE HG21 H 1 0.373 0.030 . 1 . . . . 15 ILE HG2 . 10263 1 108 . 1 1 15 15 ILE HG22 H 1 0.373 0.030 . 1 . . . . 15 ILE HG2 . 10263 1 109 . 1 1 15 15 ILE HG23 H 1 0.373 0.030 . 1 . . . . 15 ILE HG2 . 10263 1 110 . 1 1 15 15 ILE C C 13 174.962 0.300 . 1 . . . . 15 ILE C . 10263 1 111 . 1 1 15 15 ILE CA C 13 60.685 0.300 . 1 . . . . 15 ILE CA . 10263 1 112 . 1 1 15 15 ILE CB C 13 40.878 0.300 . 1 . . . . 15 ILE CB . 10263 1 113 . 1 1 15 15 ILE CD1 C 13 14.475 0.300 . 1 . . . . 15 ILE CD1 . 10263 1 114 . 1 1 15 15 ILE CG1 C 13 27.276 0.300 . 1 . . . . 15 ILE CG1 . 10263 1 115 . 1 1 15 15 ILE CG2 C 13 17.165 0.300 . 1 . . . . 15 ILE CG2 . 10263 1 116 . 1 1 15 15 ILE N N 15 121.623 0.300 . 1 . . . . 15 ILE N . 10263 1 117 . 1 1 16 16 SER H H 1 8.703 0.030 . 1 . . . . 16 SER H . 10263 1 118 . 1 1 16 16 SER HA H 1 4.922 0.030 . 1 . . . . 16 SER HA . 10263 1 119 . 1 1 16 16 SER HB2 H 1 3.818 0.030 . 2 . . . . 16 SER HB2 . 10263 1 120 . 1 1 16 16 SER HB3 H 1 3.749 0.030 . 2 . . . . 16 SER HB3 . 10263 1 121 . 1 1 16 16 SER C C 13 173.860 0.300 . 1 . . . . 16 SER C . 10263 1 122 . 1 1 16 16 SER CA C 13 56.524 0.300 . 1 . . . . 16 SER CA . 10263 1 123 . 1 1 16 16 SER CB C 13 65.004 0.300 . 1 . . . . 16 SER CB . 10263 1 124 . 1 1 16 16 SER N N 15 122.261 0.300 . 1 . . . . 16 SER N . 10263 1 125 . 1 1 17 17 THR H H 1 8.759 0.030 . 1 . . . . 17 THR H . 10263 1 126 . 1 1 17 17 THR HA H 1 4.885 0.030 . 1 . . . . 17 THR HA . 10263 1 127 . 1 1 17 17 THR HB H 1 4.396 0.030 . 1 . . . . 17 THR HB . 10263 1 128 . 1 1 17 17 THR HG21 H 1 1.079 0.030 . 1 . . . . 17 THR HG2 . 10263 1 129 . 1 1 17 17 THR HG22 H 1 1.079 0.030 . 1 . . . . 17 THR HG2 . 10263 1 130 . 1 1 17 17 THR HG23 H 1 1.079 0.030 . 1 . . . . 17 THR HG2 . 10263 1 131 . 1 1 17 17 THR C C 13 175.018 0.300 . 1 . . . . 17 THR C . 10263 1 132 . 1 1 17 17 THR CA C 13 60.315 0.300 . 1 . . . . 17 THR CA . 10263 1 133 . 1 1 17 17 THR CB C 13 69.799 0.300 . 1 . . . . 17 THR CB . 10263 1 134 . 1 1 17 17 THR CG2 C 13 21.864 0.300 . 1 . . . . 17 THR CG2 . 10263 1 135 . 1 1 17 17 THR N N 15 115.660 0.300 . 1 . . . . 17 THR N . 10263 1 136 . 1 1 18 18 THR H H 1 8.038 0.030 . 1 . . . . 18 THR H . 10263 1 137 . 1 1 18 18 THR HA H 1 4.596 0.030 . 1 . . . . 18 THR HA . 10263 1 138 . 1 1 18 18 THR HB H 1 4.390 0.030 . 1 . . . . 18 THR HB . 10263 1 139 . 1 1 18 18 THR HG21 H 1 1.022 0.030 . 1 . . . . 18 THR HG2 . 10263 1 140 . 1 1 18 18 THR HG22 H 1 1.022 0.030 . 1 . . . . 18 THR HG2 . 10263 1 141 . 1 1 18 18 THR HG23 H 1 1.022 0.030 . 1 . . . . 18 THR HG2 . 10263 1 142 . 1 1 18 18 THR CA C 13 60.707 0.300 . 1 . . . . 18 THR CA . 10263 1 143 . 1 1 18 18 THR CB C 13 71.082 0.300 . 1 . . . . 18 THR CB . 10263 1 144 . 1 1 18 18 THR CG2 C 13 21.019 0.300 . 1 . . . . 18 THR CG2 . 10263 1 145 . 1 1 18 18 THR N N 15 112.362 0.300 . 1 . . . . 18 THR N . 10263 1 146 . 1 1 19 19 ALA H H 1 8.545 0.030 . 1 . . . . 19 ALA H . 10263 1 147 . 1 1 19 19 ALA HA H 1 4.412 0.030 . 1 . . . . 19 ALA HA . 10263 1 148 . 1 1 19 19 ALA HB1 H 1 1.446 0.030 . 1 . . . . 19 ALA HB . 10263 1 149 . 1 1 19 19 ALA HB2 H 1 1.446 0.030 . 1 . . . . 19 ALA HB . 10263 1 150 . 1 1 19 19 ALA HB3 H 1 1.446 0.030 . 1 . . . . 19 ALA HB . 10263 1 151 . 1 1 19 19 ALA C C 13 177.034 0.300 . 1 . . . . 19 ALA C . 10263 1 152 . 1 1 19 19 ALA CA C 13 52.264 0.300 . 1 . . . . 19 ALA CA . 10263 1 153 . 1 1 19 19 ALA CB C 13 19.292 0.300 . 1 . . . . 19 ALA CB . 10263 1 154 . 1 1 19 19 ALA N N 15 119.589 0.300 . 1 . . . . 19 ALA N . 10263 1 155 . 1 1 20 20 MET H H 1 8.145 0.030 . 1 . . . . 20 MET H . 10263 1 156 . 1 1 20 20 MET HA H 1 4.447 0.030 . 1 . . . . 20 MET HA . 10263 1 157 . 1 1 20 20 MET HB2 H 1 2.145 0.030 . 2 . . . . 20 MET HB2 . 10263 1 158 . 1 1 20 20 MET HB3 H 1 1.956 0.030 . 2 . . . . 20 MET HB3 . 10263 1 159 . 1 1 20 20 MET HE1 H 1 2.050 0.030 . 1 . . . . 20 MET HE . 10263 1 160 . 1 1 20 20 MET HE2 H 1 2.050 0.030 . 1 . . . . 20 MET HE . 10263 1 161 . 1 1 20 20 MET HE3 H 1 2.050 0.030 . 1 . . . . 20 MET HE . 10263 1 162 . 1 1 20 20 MET HG2 H 1 2.568 0.030 . 2 . . . . 20 MET HG2 . 10263 1 163 . 1 1 20 20 MET HG3 H 1 2.486 0.030 . 2 . . . . 20 MET HG3 . 10263 1 164 . 1 1 20 20 MET C C 13 175.676 0.300 . 1 . . . . 20 MET C . 10263 1 165 . 1 1 20 20 MET CA C 13 55.764 0.300 . 1 . . . . 20 MET CA . 10263 1 166 . 1 1 20 20 MET CB C 13 31.495 0.300 . 1 . . . . 20 MET CB . 10263 1 167 . 1 1 20 20 MET CE C 13 16.950 0.300 . 1 . . . . 20 MET CE . 10263 1 168 . 1 1 20 20 MET CG C 13 32.242 0.300 . 1 . . . . 20 MET CG . 10263 1 169 . 1 1 20 20 MET N N 15 116.950 0.300 . 1 . . . . 20 MET N . 10263 1 170 . 1 1 21 21 ASN H H 1 8.275 0.030 . 1 . . . . 21 ASN H . 10263 1 171 . 1 1 21 21 ASN HA H 1 4.452 0.030 . 1 . . . . 21 ASN HA . 10263 1 172 . 1 1 21 21 ASN HB2 H 1 3.177 0.030 . 2 . . . . 21 ASN HB2 . 10263 1 173 . 1 1 21 21 ASN HB3 H 1 3.076 0.030 . 2 . . . . 21 ASN HB3 . 10263 1 174 . 1 1 21 21 ASN HD21 H 1 7.596 0.030 . 2 . . . . 21 ASN HD21 . 10263 1 175 . 1 1 21 21 ASN HD22 H 1 6.703 0.030 . 2 . . . . 21 ASN HD22 . 10263 1 176 . 1 1 21 21 ASN C C 13 174.100 0.300 . 1 . . . . 21 ASN C . 10263 1 177 . 1 1 21 21 ASN CA C 13 54.320 0.300 . 1 . . . . 21 ASN CA . 10263 1 178 . 1 1 21 21 ASN CB C 13 37.234 0.300 . 1 . . . . 21 ASN CB . 10263 1 179 . 1 1 21 21 ASN N N 15 113.198 0.300 . 1 . . . . 21 ASN N . 10263 1 180 . 1 1 21 21 ASN ND2 N 15 111.482 0.300 . 1 . . . . 21 ASN ND2 . 10263 1 181 . 1 1 22 22 THR H H 1 7.071 0.030 . 1 . . . . 22 THR H . 10263 1 182 . 1 1 22 22 THR HA H 1 5.218 0.030 . 1 . . . . 22 THR HA . 10263 1 183 . 1 1 22 22 THR HB H 1 3.900 0.030 . 1 . . . . 22 THR HB . 10263 1 184 . 1 1 22 22 THR HG21 H 1 0.974 0.030 . 1 . . . . 22 THR HG2 . 10263 1 185 . 1 1 22 22 THR HG22 H 1 0.974 0.030 . 1 . . . . 22 THR HG2 . 10263 1 186 . 1 1 22 22 THR HG23 H 1 0.974 0.030 . 1 . . . . 22 THR HG2 . 10263 1 187 . 1 1 22 22 THR C C 13 173.301 0.300 . 1 . . . . 22 THR C . 10263 1 188 . 1 1 22 22 THR CA C 13 59.399 0.300 . 1 . . . . 22 THR CA . 10263 1 189 . 1 1 22 22 THR CB C 13 72.714 0.300 . 1 . . . . 22 THR CB . 10263 1 190 . 1 1 22 22 THR CG2 C 13 21.938 0.300 . 1 . . . . 22 THR CG2 . 10263 1 191 . 1 1 22 22 THR N N 15 107.603 0.300 . 1 . . . . 22 THR N . 10263 1 192 . 1 1 23 23 ALA H H 1 8.687 0.030 . 1 . . . . 23 ALA H . 10263 1 193 . 1 1 23 23 ALA HA H 1 4.925 0.030 . 1 . . . . 23 ALA HA . 10263 1 194 . 1 1 23 23 ALA HB1 H 1 0.793 0.030 . 1 . . . . 23 ALA HB . 10263 1 195 . 1 1 23 23 ALA HB2 H 1 0.793 0.030 . 1 . . . . 23 ALA HB . 10263 1 196 . 1 1 23 23 ALA HB3 H 1 0.793 0.030 . 1 . . . . 23 ALA HB . 10263 1 197 . 1 1 23 23 ALA C C 13 174.100 0.300 . 1 . . . . 23 ALA C . 10263 1 198 . 1 1 23 23 ALA CA C 13 50.812 0.300 . 1 . . . . 23 ALA CA . 10263 1 199 . 1 1 23 23 ALA CB C 13 21.122 0.300 . 1 . . . . 23 ALA CB . 10263 1 200 . 1 1 23 23 ALA N N 15 121.937 0.300 . 1 . . . . 23 ALA N . 10263 1 201 . 1 1 24 24 LEU H H 1 8.833 0.030 . 1 . . . . 24 LEU H . 10263 1 202 . 1 1 24 24 LEU HA H 1 4.673 0.030 . 1 . . . . 24 LEU HA . 10263 1 203 . 1 1 24 24 LEU HB2 H 1 1.599 0.030 . 2 . . . . 24 LEU HB2 . 10263 1 204 . 1 1 24 24 LEU HB3 H 1 1.396 0.030 . 2 . . . . 24 LEU HB3 . 10263 1 205 . 1 1 24 24 LEU HD11 H 1 0.704 0.030 . 1 . . . . 24 LEU HD1 . 10263 1 206 . 1 1 24 24 LEU HD12 H 1 0.704 0.030 . 1 . . . . 24 LEU HD1 . 10263 1 207 . 1 1 24 24 LEU HD13 H 1 0.704 0.030 . 1 . . . . 24 LEU HD1 . 10263 1 208 . 1 1 24 24 LEU HD21 H 1 0.681 0.030 . 1 . . . . 24 LEU HD2 . 10263 1 209 . 1 1 24 24 LEU HD22 H 1 0.681 0.030 . 1 . . . . 24 LEU HD2 . 10263 1 210 . 1 1 24 24 LEU HD23 H 1 0.681 0.030 . 1 . . . . 24 LEU HD2 . 10263 1 211 . 1 1 24 24 LEU HG H 1 1.258 0.030 . 1 . . . . 24 LEU HG . 10263 1 212 . 1 1 24 24 LEU C C 13 175.140 0.300 . 1 . . . . 24 LEU C . 10263 1 213 . 1 1 24 24 LEU CA C 13 54.320 0.300 . 1 . . . . 24 LEU CA . 10263 1 214 . 1 1 24 24 LEU CB C 13 42.518 0.300 . 1 . . . . 24 LEU CB . 10263 1 215 . 1 1 24 24 LEU CD1 C 13 23.646 0.300 . 2 . . . . 24 LEU CD1 . 10263 1 216 . 1 1 24 24 LEU CD2 C 13 25.182 0.300 . 2 . . . . 24 LEU CD2 . 10263 1 217 . 1 1 24 24 LEU CG C 13 27.796 0.300 . 1 . . . . 24 LEU CG . 10263 1 218 . 1 1 24 24 LEU N N 15 123.721 0.300 . 1 . . . . 24 LEU N . 10263 1 219 . 1 1 25 25 LEU H H 1 9.176 0.030 . 1 . . . . 25 LEU H . 10263 1 220 . 1 1 25 25 LEU HA H 1 5.112 0.030 . 1 . . . . 25 LEU HA . 10263 1 221 . 1 1 25 25 LEU HB2 H 1 2.070 0.030 . 2 . . . . 25 LEU HB2 . 10263 1 222 . 1 1 25 25 LEU HB3 H 1 1.693 0.030 . 2 . . . . 25 LEU HB3 . 10263 1 223 . 1 1 25 25 LEU HD11 H 1 0.617 0.030 . 1 . . . . 25 LEU HD1 . 10263 1 224 . 1 1 25 25 LEU HD12 H 1 0.617 0.030 . 1 . . . . 25 LEU HD1 . 10263 1 225 . 1 1 25 25 LEU HD13 H 1 0.617 0.030 . 1 . . . . 25 LEU HD1 . 10263 1 226 . 1 1 25 25 LEU HD21 H 1 0.731 0.030 . 1 . . . . 25 LEU HD2 . 10263 1 227 . 1 1 25 25 LEU HD22 H 1 0.731 0.030 . 1 . . . . 25 LEU HD2 . 10263 1 228 . 1 1 25 25 LEU HD23 H 1 0.731 0.030 . 1 . . . . 25 LEU HD2 . 10263 1 229 . 1 1 25 25 LEU HG H 1 1.635 0.030 . 1 . . . . 25 LEU HG . 10263 1 230 . 1 1 25 25 LEU C C 13 176.414 0.300 . 1 . . . . 25 LEU C . 10263 1 231 . 1 1 25 25 LEU CA C 13 54.108 0.300 . 1 . . . . 25 LEU CA . 10263 1 232 . 1 1 25 25 LEU CB C 13 43.230 0.300 . 1 . . . . 25 LEU CB . 10263 1 233 . 1 1 25 25 LEU CD1 C 13 26.816 0.300 . 2 . . . . 25 LEU CD1 . 10263 1 234 . 1 1 25 25 LEU CD2 C 13 25.889 0.300 . 2 . . . . 25 LEU CD2 . 10263 1 235 . 1 1 25 25 LEU CG C 13 28.999 0.300 . 1 . . . . 25 LEU CG . 10263 1 236 . 1 1 25 25 LEU N N 15 128.589 0.300 . 1 . . . . 25 LEU N . 10263 1 237 . 1 1 26 26 GLN H H 1 8.556 0.030 . 1 . . . . 26 GLN H . 10263 1 238 . 1 1 26 26 GLN HA H 1 4.737 0.030 . 1 . . . . 26 GLN HA . 10263 1 239 . 1 1 26 26 GLN HB2 H 1 1.892 0.030 . 2 . . . . 26 GLN HB2 . 10263 1 240 . 1 1 26 26 GLN HB3 H 1 1.735 0.030 . 2 . . . . 26 GLN HB3 . 10263 1 241 . 1 1 26 26 GLN HE21 H 1 7.430 0.030 . 2 . . . . 26 GLN HE21 . 10263 1 242 . 1 1 26 26 GLN HE22 H 1 6.653 0.030 . 2 . . . . 26 GLN HE22 . 10263 1 243 . 1 1 26 26 GLN HG2 H 1 2.062 0.030 . 2 . . . . 26 GLN HG2 . 10263 1 244 . 1 1 26 26 GLN HG3 H 1 1.955 0.030 . 2 . . . . 26 GLN HG3 . 10263 1 245 . 1 1 26 26 GLN C C 13 174.372 0.300 . 1 . . . . 26 GLN C . 10263 1 246 . 1 1 26 26 GLN CA C 13 56.365 0.300 . 1 . . . . 26 GLN CA . 10263 1 247 . 1 1 26 26 GLN CB C 13 33.320 0.300 . 1 . . . . 26 GLN CB . 10263 1 248 . 1 1 26 26 GLN CG C 13 34.402 0.300 . 1 . . . . 26 GLN CG . 10263 1 249 . 1 1 26 26 GLN N N 15 119.630 0.300 . 1 . . . . 26 GLN N . 10263 1 250 . 1 1 26 26 GLN NE2 N 15 112.164 0.300 . 1 . . . . 26 GLN NE2 . 10263 1 251 . 1 1 27 27 TRP H H 1 8.080 0.030 . 1 . . . . 27 TRP H . 10263 1 252 . 1 1 27 27 TRP HA H 1 5.441 0.030 . 1 . . . . 27 TRP HA . 10263 1 253 . 1 1 27 27 TRP HB2 H 1 2.854 0.030 . 2 . . . . 27 TRP HB2 . 10263 1 254 . 1 1 27 27 TRP HB3 H 1 2.639 0.030 . 2 . . . . 27 TRP HB3 . 10263 1 255 . 1 1 27 27 TRP HD1 H 1 5.948 0.030 . 1 . . . . 27 TRP HD1 . 10263 1 256 . 1 1 27 27 TRP HE1 H 1 7.245 0.030 . 1 . . . . 27 TRP HE1 . 10263 1 257 . 1 1 27 27 TRP HE3 H 1 6.483 0.030 . 1 . . . . 27 TRP HE3 . 10263 1 258 . 1 1 27 27 TRP HH2 H 1 5.081 0.030 . 1 . . . . 27 TRP HH2 . 10263 1 259 . 1 1 27 27 TRP HZ2 H 1 5.752 0.030 . 1 . . . . 27 TRP HZ2 . 10263 1 260 . 1 1 27 27 TRP HZ3 H 1 6.230 0.030 . 1 . . . . 27 TRP HZ3 . 10263 1 261 . 1 1 27 27 TRP CA C 13 55.957 0.300 . 1 . . . . 27 TRP CA . 10263 1 262 . 1 1 27 27 TRP CB C 13 32.517 0.300 . 1 . . . . 27 TRP CB . 10263 1 263 . 1 1 27 27 TRP CD1 C 13 124.493 0.300 . 1 . . . . 27 TRP CD1 . 10263 1 264 . 1 1 27 27 TRP CE3 C 13 118.380 0.300 . 1 . . . . 27 TRP CE3 . 10263 1 265 . 1 1 27 27 TRP CH2 C 13 123.361 0.300 . 1 . . . . 27 TRP CH2 . 10263 1 266 . 1 1 27 27 TRP CZ2 C 13 112.680 0.300 . 1 . . . . 27 TRP CZ2 . 10263 1 267 . 1 1 27 27 TRP CZ3 C 13 119.941 0.300 . 1 . . . . 27 TRP CZ3 . 10263 1 268 . 1 1 27 27 TRP N N 15 121.276 0.300 . 1 . . . . 27 TRP N . 10263 1 269 . 1 1 27 27 TRP NE1 N 15 128.018 0.300 . 1 . . . . 27 TRP NE1 . 10263 1 270 . 1 1 28 28 HIS H H 1 8.262 0.030 . 1 . . . . 28 HIS H . 10263 1 271 . 1 1 28 28 HIS HA H 1 4.997 0.030 . 1 . . . . 28 HIS HA . 10263 1 272 . 1 1 28 28 HIS HB2 H 1 3.146 0.030 . 2 . . . . 28 HIS HB2 . 10263 1 273 . 1 1 28 28 HIS HB3 H 1 2.750 0.030 . 2 . . . . 28 HIS HB3 . 10263 1 274 . 1 1 28 28 HIS HD2 H 1 6.795 0.030 . 1 . . . . 28 HIS HD2 . 10263 1 275 . 1 1 28 28 HIS CA C 13 53.028 0.300 . 1 . . . . 28 HIS CA . 10263 1 276 . 1 1 28 28 HIS CB C 13 32.832 0.300 . 1 . . . . 28 HIS CB . 10263 1 277 . 1 1 28 28 HIS CD2 C 13 120.080 0.300 . 1 . . . . 28 HIS CD2 . 10263 1 278 . 1 1 28 28 HIS N N 15 116.245 0.300 . 1 . . . . 28 HIS N . 10263 1 279 . 1 1 29 29 PRO HA H 1 4.984 0.030 . 1 . . . . 29 PRO HA . 10263 1 280 . 1 1 29 29 PRO HB2 H 1 2.624 0.030 . 2 . . . . 29 PRO HB2 . 10263 1 281 . 1 1 29 29 PRO HB3 H 1 1.996 0.030 . 2 . . . . 29 PRO HB3 . 10263 1 282 . 1 1 29 29 PRO HD2 H 1 3.795 0.030 . 1 . . . . 29 PRO HD2 . 10263 1 283 . 1 1 29 29 PRO HD3 H 1 3.795 0.030 . 1 . . . . 29 PRO HD3 . 10263 1 284 . 1 1 29 29 PRO HG2 H 1 2.192 0.030 . 2 . . . . 29 PRO HG2 . 10263 1 285 . 1 1 29 29 PRO HG3 H 1 2.059 0.030 . 2 . . . . 29 PRO HG3 . 10263 1 286 . 1 1 29 29 PRO CA C 13 61.498 0.300 . 1 . . . . 29 PRO CA . 10263 1 287 . 1 1 29 29 PRO CB C 13 30.709 0.300 . 1 . . . . 29 PRO CB . 10263 1 288 . 1 1 29 29 PRO CD C 13 50.770 0.300 . 1 . . . . 29 PRO CD . 10263 1 289 . 1 1 29 29 PRO CG C 13 26.916 0.300 . 1 . . . . 29 PRO CG . 10263 1 290 . 1 1 30 30 PRO HA H 1 4.449 0.030 . 1 . . . . 30 PRO HA . 10263 1 291 . 1 1 30 30 PRO HB2 H 1 1.989 0.030 . 2 . . . . 30 PRO HB2 . 10263 1 292 . 1 1 30 30 PRO HB3 H 1 1.858 0.030 . 2 . . . . 30 PRO HB3 . 10263 1 293 . 1 1 30 30 PRO HD2 H 1 3.589 0.030 . 2 . . . . 30 PRO HD2 . 10263 1 294 . 1 1 30 30 PRO HD3 H 1 3.512 0.030 . 2 . . . . 30 PRO HD3 . 10263 1 295 . 1 1 30 30 PRO HG2 H 1 1.958 0.030 . 2 . . . . 30 PRO HG2 . 10263 1 296 . 1 1 30 30 PRO HG3 H 1 1.836 0.030 . 2 . . . . 30 PRO HG3 . 10263 1 297 . 1 1 30 30 PRO C C 13 175.733 0.300 . 1 . . . . 30 PRO C . 10263 1 298 . 1 1 30 30 PRO CA C 13 62.245 0.300 . 1 . . . . 30 PRO CA . 10263 1 299 . 1 1 30 30 PRO CB C 13 32.083 0.300 . 1 . . . . 30 PRO CB . 10263 1 300 . 1 1 30 30 PRO CD C 13 50.050 0.300 . 1 . . . . 30 PRO CD . 10263 1 301 . 1 1 30 30 PRO CG C 13 28.128 0.300 . 1 . . . . 30 PRO CG . 10263 1 302 . 1 1 31 31 LYS H H 1 8.403 0.030 . 1 . . . . 31 LYS H . 10263 1 303 . 1 1 31 31 LYS HA H 1 4.084 0.030 . 1 . . . . 31 LYS HA . 10263 1 304 . 1 1 31 31 LYS HB2 H 1 1.825 0.030 . 1 . . . . 31 LYS HB2 . 10263 1 305 . 1 1 31 31 LYS HB3 H 1 1.825 0.030 . 1 . . . . 31 LYS HB3 . 10263 1 306 . 1 1 31 31 LYS HD2 H 1 1.701 0.030 . 1 . . . . 31 LYS HD2 . 10263 1 307 . 1 1 31 31 LYS HD3 H 1 1.701 0.030 . 1 . . . . 31 LYS HD3 . 10263 1 308 . 1 1 31 31 LYS HE2 H 1 3.003 0.030 . 1 . . . . 31 LYS HE2 . 10263 1 309 . 1 1 31 31 LYS HE3 H 1 3.003 0.030 . 1 . . . . 31 LYS HE3 . 10263 1 310 . 1 1 31 31 LYS HG2 H 1 1.534 0.030 . 2 . . . . 31 LYS HG2 . 10263 1 311 . 1 1 31 31 LYS HG3 H 1 1.473 0.030 . 2 . . . . 31 LYS HG3 . 10263 1 312 . 1 1 31 31 LYS C C 13 177.166 0.300 . 1 . . . . 31 LYS C . 10263 1 313 . 1 1 31 31 LYS CA C 13 57.866 0.300 . 1 . . . . 31 LYS CA . 10263 1 314 . 1 1 31 31 LYS CB C 13 32.698 0.300 . 1 . . . . 31 LYS CB . 10263 1 315 . 1 1 31 31 LYS CD C 13 28.987 0.300 . 1 . . . . 31 LYS CD . 10263 1 316 . 1 1 31 31 LYS CE C 13 42.112 0.300 . 1 . . . . 31 LYS CE . 10263 1 317 . 1 1 31 31 LYS CG C 13 25.071 0.300 . 1 . . . . 31 LYS CG . 10263 1 318 . 1 1 31 31 LYS N N 15 121.693 0.300 . 1 . . . . 31 LYS N . 10263 1 319 . 1 1 32 32 GLU H H 1 8.102 0.030 . 1 . . . . 32 GLU H . 10263 1 320 . 1 1 32 32 GLU HA H 1 4.365 0.030 . 1 . . . . 32 GLU HA . 10263 1 321 . 1 1 32 32 GLU HB2 H 1 1.965 0.030 . 2 . . . . 32 GLU HB2 . 10263 1 322 . 1 1 32 32 GLU HB3 H 1 1.913 0.030 . 2 . . . . 32 GLU HB3 . 10263 1 323 . 1 1 32 32 GLU HG2 H 1 2.187 0.030 . 2 . . . . 32 GLU HG2 . 10263 1 324 . 1 1 32 32 GLU HG3 H 1 2.141 0.030 . 2 . . . . 32 GLU HG3 . 10263 1 325 . 1 1 32 32 GLU C C 13 174.248 0.300 . 1 . . . . 32 GLU C . 10263 1 326 . 1 1 32 32 GLU CA C 13 55.448 0.300 . 1 . . . . 32 GLU CA . 10263 1 327 . 1 1 32 32 GLU CB C 13 29.405 0.300 . 1 . . . . 32 GLU CB . 10263 1 328 . 1 1 32 32 GLU CG C 13 36.039 0.300 . 1 . . . . 32 GLU CG . 10263 1 329 . 1 1 32 32 GLU N N 15 118.742 0.300 . 1 . . . . 32 GLU N . 10263 1 330 . 1 1 33 33 LEU H H 1 8.420 0.030 . 1 . . . . 33 LEU H . 10263 1 331 . 1 1 33 33 LEU HA H 1 4.499 0.030 . 1 . . . . 33 LEU HA . 10263 1 332 . 1 1 33 33 LEU HB2 H 1 1.770 0.030 . 2 . . . . 33 LEU HB2 . 10263 1 333 . 1 1 33 33 LEU HB3 H 1 1.365 0.030 . 2 . . . . 33 LEU HB3 . 10263 1 334 . 1 1 33 33 LEU HD11 H 1 0.840 0.030 . 1 . . . . 33 LEU HD1 . 10263 1 335 . 1 1 33 33 LEU HD12 H 1 0.840 0.030 . 1 . . . . 33 LEU HD1 . 10263 1 336 . 1 1 33 33 LEU HD13 H 1 0.840 0.030 . 1 . . . . 33 LEU HD1 . 10263 1 337 . 1 1 33 33 LEU HD21 H 1 0.858 0.030 . 1 . . . . 33 LEU HD2 . 10263 1 338 . 1 1 33 33 LEU HD22 H 1 0.858 0.030 . 1 . . . . 33 LEU HD2 . 10263 1 339 . 1 1 33 33 LEU HD23 H 1 0.858 0.030 . 1 . . . . 33 LEU HD2 . 10263 1 340 . 1 1 33 33 LEU HG H 1 1.586 0.030 . 1 . . . . 33 LEU HG . 10263 1 341 . 1 1 33 33 LEU C C 13 173.036 0.300 . 1 . . . . 33 LEU C . 10263 1 342 . 1 1 33 33 LEU CA C 13 52.863 0.300 . 1 . . . . 33 LEU CA . 10263 1 343 . 1 1 33 33 LEU CB C 13 42.535 0.300 . 1 . . . . 33 LEU CB . 10263 1 344 . 1 1 33 33 LEU CD1 C 13 25.218 0.300 . 2 . . . . 33 LEU CD1 . 10263 1 345 . 1 1 33 33 LEU CD2 C 13 24.821 0.300 . 2 . . . . 33 LEU CD2 . 10263 1 346 . 1 1 33 33 LEU CG C 13 27.634 0.300 . 1 . . . . 33 LEU CG . 10263 1 347 . 1 1 33 33 LEU N N 15 125.181 0.300 . 1 . . . . 33 LEU N . 10263 1 348 . 1 1 34 34 PRO HA H 1 4.488 0.030 . 1 . . . . 34 PRO HA . 10263 1 349 . 1 1 34 34 PRO HB2 H 1 2.253 0.030 . 2 . . . . 34 PRO HB2 . 10263 1 350 . 1 1 34 34 PRO HB3 H 1 1.814 0.030 . 2 . . . . 34 PRO HB3 . 10263 1 351 . 1 1 34 34 PRO HD2 H 1 3.656 0.030 . 2 . . . . 34 PRO HD2 . 10263 1 352 . 1 1 34 34 PRO HD3 H 1 3.338 0.030 . 2 . . . . 34 PRO HD3 . 10263 1 353 . 1 1 34 34 PRO HG2 H 1 1.902 0.030 . 2 . . . . 34 PRO HG2 . 10263 1 354 . 1 1 34 34 PRO HG3 H 1 1.866 0.030 . 2 . . . . 34 PRO HG3 . 10263 1 355 . 1 1 34 34 PRO C C 13 177.544 0.300 . 1 . . . . 34 PRO C . 10263 1 356 . 1 1 34 34 PRO CA C 13 62.889 0.300 . 1 . . . . 34 PRO CA . 10263 1 357 . 1 1 34 34 PRO CB C 13 31.472 0.300 . 1 . . . . 34 PRO CB . 10263 1 358 . 1 1 34 34 PRO CD C 13 50.730 0.300 . 1 . . . . 34 PRO CD . 10263 1 359 . 1 1 34 34 PRO CG C 13 27.395 0.300 . 1 . . . . 34 PRO CG . 10263 1 360 . 1 1 35 35 GLY H H 1 8.397 0.030 . 1 . . . . 35 GLY H . 10263 1 361 . 1 1 35 35 GLY HA2 H 1 4.059 0.030 . 2 . . . . 35 GLY HA2 . 10263 1 362 . 1 1 35 35 GLY HA3 H 1 3.716 0.030 . 2 . . . . 35 GLY HA3 . 10263 1 363 . 1 1 35 35 GLY C C 13 173.356 0.300 . 1 . . . . 35 GLY C . 10263 1 364 . 1 1 35 35 GLY CA C 13 45.892 0.300 . 1 . . . . 35 GLY CA . 10263 1 365 . 1 1 35 35 GLY N N 15 110.524 0.300 . 1 . . . . 35 GLY N . 10263 1 366 . 1 1 36 36 GLU H H 1 8.091 0.030 . 1 . . . . 36 GLU H . 10263 1 367 . 1 1 36 36 GLU HA H 1 4.371 0.030 . 1 . . . . 36 GLU HA . 10263 1 368 . 1 1 36 36 GLU HB2 H 1 1.973 0.030 . 2 . . . . 36 GLU HB2 . 10263 1 369 . 1 1 36 36 GLU HB3 H 1 1.863 0.030 . 2 . . . . 36 GLU HB3 . 10263 1 370 . 1 1 36 36 GLU HG2 H 1 2.181 0.030 . 2 . . . . 36 GLU HG2 . 10263 1 371 . 1 1 36 36 GLU HG3 H 1 2.124 0.030 . 2 . . . . 36 GLU HG3 . 10263 1 372 . 1 1 36 36 GLU C C 13 174.864 0.300 . 1 . . . . 36 GLU C . 10263 1 373 . 1 1 36 36 GLU CA C 13 55.201 0.300 . 1 . . . . 36 GLU CA . 10263 1 374 . 1 1 36 36 GLU CB C 13 31.878 0.300 . 1 . . . . 36 GLU CB . 10263 1 375 . 1 1 36 36 GLU CG C 13 36.039 0.300 . 1 . . . . 36 GLU CG . 10263 1 376 . 1 1 36 36 GLU N N 15 122.202 0.300 . 1 . . . . 36 GLU N . 10263 1 377 . 1 1 37 37 LEU H H 1 8.307 0.030 . 1 . . . . 37 LEU H . 10263 1 378 . 1 1 37 37 LEU HA H 1 4.288 0.030 . 1 . . . . 37 LEU HA . 10263 1 379 . 1 1 37 37 LEU HB2 H 1 1.814 0.030 . 2 . . . . 37 LEU HB2 . 10263 1 380 . 1 1 37 37 LEU HB3 H 1 1.555 0.030 . 2 . . . . 37 LEU HB3 . 10263 1 381 . 1 1 37 37 LEU HD11 H 1 0.846 0.030 . 1 . . . . 37 LEU HD1 . 10263 1 382 . 1 1 37 37 LEU HD12 H 1 0.846 0.030 . 1 . . . . 37 LEU HD1 . 10263 1 383 . 1 1 37 37 LEU HD13 H 1 0.846 0.030 . 1 . . . . 37 LEU HD1 . 10263 1 384 . 1 1 37 37 LEU HD21 H 1 1.006 0.030 . 1 . . . . 37 LEU HD2 . 10263 1 385 . 1 1 37 37 LEU HD22 H 1 1.006 0.030 . 1 . . . . 37 LEU HD2 . 10263 1 386 . 1 1 37 37 LEU HD23 H 1 1.006 0.030 . 1 . . . . 37 LEU HD2 . 10263 1 387 . 1 1 37 37 LEU HG H 1 1.366 0.030 . 1 . . . . 37 LEU HG . 10263 1 388 . 1 1 37 37 LEU C C 13 176.702 0.300 . 1 . . . . 37 LEU C . 10263 1 389 . 1 1 37 37 LEU CA C 13 55.342 0.300 . 1 . . . . 37 LEU CA . 10263 1 390 . 1 1 37 37 LEU CB C 13 42.715 0.300 . 1 . . . . 37 LEU CB . 10263 1 391 . 1 1 37 37 LEU CD1 C 13 24.168 0.300 . 2 . . . . 37 LEU CD1 . 10263 1 392 . 1 1 37 37 LEU CD2 C 13 26.590 0.300 . 2 . . . . 37 LEU CD2 . 10263 1 393 . 1 1 37 37 LEU CG C 13 27.648 0.300 . 1 . . . . 37 LEU CG . 10263 1 394 . 1 1 37 37 LEU N N 15 123.204 0.300 . 1 . . . . 37 LEU N . 10263 1 395 . 1 1 38 38 LEU H H 1 8.909 0.030 . 1 . . . . 38 LEU H . 10263 1 396 . 1 1 38 38 LEU HA H 1 4.640 0.030 . 1 . . . . 38 LEU HA . 10263 1 397 . 1 1 38 38 LEU HB2 H 1 1.550 0.030 . 2 . . . . 38 LEU HB2 . 10263 1 398 . 1 1 38 38 LEU HB3 H 1 1.074 0.030 . 2 . . . . 38 LEU HB3 . 10263 1 399 . 1 1 38 38 LEU HD11 H 1 0.670 0.030 . 1 . . . . 38 LEU HD1 . 10263 1 400 . 1 1 38 38 LEU HD12 H 1 0.670 0.030 . 1 . . . . 38 LEU HD1 . 10263 1 401 . 1 1 38 38 LEU HD13 H 1 0.670 0.030 . 1 . . . . 38 LEU HD1 . 10263 1 402 . 1 1 38 38 LEU HD21 H 1 0.750 0.030 . 1 . . . . 38 LEU HD2 . 10263 1 403 . 1 1 38 38 LEU HD22 H 1 0.750 0.030 . 1 . . . . 38 LEU HD2 . 10263 1 404 . 1 1 38 38 LEU HD23 H 1 0.750 0.030 . 1 . . . . 38 LEU HD2 . 10263 1 405 . 1 1 38 38 LEU HG H 1 1.572 0.030 . 1 . . . . 38 LEU HG . 10263 1 406 . 1 1 38 38 LEU C C 13 177.202 0.300 . 1 . . . . 38 LEU C . 10263 1 407 . 1 1 38 38 LEU CA C 13 54.390 0.300 . 1 . . . . 38 LEU CA . 10263 1 408 . 1 1 38 38 LEU CB C 13 43.770 0.300 . 1 . . . . 38 LEU CB . 10263 1 409 . 1 1 38 38 LEU CD1 C 13 25.356 0.300 . 2 . . . . 38 LEU CD1 . 10263 1 410 . 1 1 38 38 LEU CD2 C 13 22.433 0.300 . 2 . . . . 38 LEU CD2 . 10263 1 411 . 1 1 38 38 LEU CG C 13 27.303 0.300 . 1 . . . . 38 LEU CG . 10263 1 412 . 1 1 38 38 LEU N N 15 123.021 0.300 . 1 . . . . 38 LEU N . 10263 1 413 . 1 1 39 39 GLY H H 1 7.113 0.030 . 1 . . . . 39 GLY H . 10263 1 414 . 1 1 39 39 GLY HA2 H 1 4.816 0.030 . 2 . . . . 39 GLY HA2 . 10263 1 415 . 1 1 39 39 GLY HA3 H 1 3.276 0.030 . 2 . . . . 39 GLY HA3 . 10263 1 416 . 1 1 39 39 GLY C C 13 169.863 0.300 . 1 . . . . 39 GLY C . 10263 1 417 . 1 1 39 39 GLY CA C 13 44.622 0.300 . 1 . . . . 39 GLY CA . 10263 1 418 . 1 1 39 39 GLY N N 15 104.137 0.300 . 1 . . . . 39 GLY N . 10263 1 419 . 1 1 40 40 TYR H H 1 8.318 0.030 . 1 . . . . 40 TYR H . 10263 1 420 . 1 1 40 40 TYR HA H 1 5.414 0.030 . 1 . . . . 40 TYR HA . 10263 1 421 . 1 1 40 40 TYR HB2 H 1 2.694 0.030 . 2 . . . . 40 TYR HB2 . 10263 1 422 . 1 1 40 40 TYR HB3 H 1 2.468 0.030 . 2 . . . . 40 TYR HB3 . 10263 1 423 . 1 1 40 40 TYR HD1 H 1 6.979 0.030 . 3 . . . . 40 TYR HD1 . 10263 1 424 . 1 1 40 40 TYR HD2 H 1 6.906 0.030 . 3 . . . . 40 TYR HD2 . 10263 1 425 . 1 1 40 40 TYR C C 13 174.448 0.300 . 1 . . . . 40 TYR C . 10263 1 426 . 1 1 40 40 TYR CA C 13 56.178 0.300 . 1 . . . . 40 TYR CA . 10263 1 427 . 1 1 40 40 TYR CB C 13 44.191 0.300 . 1 . . . . 40 TYR CB . 10263 1 428 . 1 1 40 40 TYR CD1 C 13 131.228 0.300 . 1 . . . . 40 TYR CD1 . 10263 1 429 . 1 1 40 40 TYR CD2 C 13 131.228 0.300 . 1 . . . . 40 TYR CD2 . 10263 1 430 . 1 1 40 40 TYR N N 15 114.036 0.300 . 1 . . . . 40 TYR N . 10263 1 431 . 1 1 41 41 ARG H H 1 9.347 0.030 . 1 . . . . 41 ARG H . 10263 1 432 . 1 1 41 41 ARG HA H 1 5.092 0.030 . 1 . . . . 41 ARG HA . 10263 1 433 . 1 1 41 41 ARG HB2 H 1 1.783 0.030 . 2 . . . . 41 ARG HB2 . 10263 1 434 . 1 1 41 41 ARG HB3 H 1 1.677 0.030 . 2 . . . . 41 ARG HB3 . 10263 1 435 . 1 1 41 41 ARG HD2 H 1 2.986 0.030 . 1 . . . . 41 ARG HD2 . 10263 1 436 . 1 1 41 41 ARG HD3 H 1 2.986 0.030 . 1 . . . . 41 ARG HD3 . 10263 1 437 . 1 1 41 41 ARG HE H 1 8.398 0.030 . 1 . . . . 41 ARG HE . 10263 1 438 . 1 1 41 41 ARG HG2 H 1 1.631 0.030 . 2 . . . . 41 ARG HG2 . 10263 1 439 . 1 1 41 41 ARG HG3 H 1 1.281 0.030 . 2 . . . . 41 ARG HG3 . 10263 1 440 . 1 1 41 41 ARG C C 13 174.097 0.300 . 1 . . . . 41 ARG C . 10263 1 441 . 1 1 41 41 ARG CA C 13 56.100 0.300 . 1 . . . . 41 ARG CA . 10263 1 442 . 1 1 41 41 ARG CB C 13 34.508 0.300 . 1 . . . . 41 ARG CB . 10263 1 443 . 1 1 41 41 ARG CD C 13 43.539 0.300 . 1 . . . . 41 ARG CD . 10263 1 444 . 1 1 41 41 ARG CG C 13 26.808 0.300 . 1 . . . . 41 ARG CG . 10263 1 445 . 1 1 41 41 ARG N N 15 122.231 0.300 . 1 . . . . 41 ARG N . 10263 1 446 . 1 1 41 41 ARG NE N 15 84.105 0.300 . 1 . . . . 41 ARG NE . 10263 1 447 . 1 1 42 42 LEU H H 1 9.546 0.030 . 1 . . . . 42 LEU H . 10263 1 448 . 1 1 42 42 LEU HA H 1 5.459 0.030 . 1 . . . . 42 LEU HA . 10263 1 449 . 1 1 42 42 LEU HB2 H 1 2.099 0.030 . 2 . . . . 42 LEU HB2 . 10263 1 450 . 1 1 42 42 LEU HB3 H 1 1.159 0.030 . 2 . . . . 42 LEU HB3 . 10263 1 451 . 1 1 42 42 LEU HD11 H 1 0.975 0.030 . 1 . . . . 42 LEU HD1 . 10263 1 452 . 1 1 42 42 LEU HD12 H 1 0.975 0.030 . 1 . . . . 42 LEU HD1 . 10263 1 453 . 1 1 42 42 LEU HD13 H 1 0.975 0.030 . 1 . . . . 42 LEU HD1 . 10263 1 454 . 1 1 42 42 LEU HD21 H 1 1.022 0.030 . 1 . . . . 42 LEU HD2 . 10263 1 455 . 1 1 42 42 LEU HD22 H 1 1.022 0.030 . 1 . . . . 42 LEU HD2 . 10263 1 456 . 1 1 42 42 LEU HD23 H 1 1.022 0.030 . 1 . . . . 42 LEU HD2 . 10263 1 457 . 1 1 42 42 LEU HG H 1 1.629 0.030 . 1 . . . . 42 LEU HG . 10263 1 458 . 1 1 42 42 LEU C C 13 174.913 0.300 . 1 . . . . 42 LEU C . 10263 1 459 . 1 1 42 42 LEU CA C 13 52.997 0.300 . 1 . . . . 42 LEU CA . 10263 1 460 . 1 1 42 42 LEU CB C 13 46.413 0.300 . 1 . . . . 42 LEU CB . 10263 1 461 . 1 1 42 42 LEU CD1 C 13 27.386 0.300 . 2 . . . . 42 LEU CD1 . 10263 1 462 . 1 1 42 42 LEU CD2 C 13 23.724 0.300 . 2 . . . . 42 LEU CD2 . 10263 1 463 . 1 1 42 42 LEU CG C 13 28.377 0.300 . 1 . . . . 42 LEU CG . 10263 1 464 . 1 1 42 42 LEU N N 15 132.335 0.300 . 1 . . . . 42 LEU N . 10263 1 465 . 1 1 43 43 GLN H H 1 9.502 0.030 . 1 . . . . 43 GLN H . 10263 1 466 . 1 1 43 43 GLN HA H 1 5.847 0.030 . 1 . . . . 43 GLN HA . 10263 1 467 . 1 1 43 43 GLN HB2 H 1 1.907 0.030 . 2 . . . . 43 GLN HB2 . 10263 1 468 . 1 1 43 43 GLN HB3 H 1 1.704 0.030 . 2 . . . . 43 GLN HB3 . 10263 1 469 . 1 1 43 43 GLN HE21 H 1 7.467 0.030 . 2 . . . . 43 GLN HE21 . 10263 1 470 . 1 1 43 43 GLN HE22 H 1 6.738 0.030 . 2 . . . . 43 GLN HE22 . 10263 1 471 . 1 1 43 43 GLN HG2 H 1 2.341 0.030 . 1 . . . . 43 GLN HG2 . 10263 1 472 . 1 1 43 43 GLN HG3 H 1 2.341 0.030 . 1 . . . . 43 GLN HG3 . 10263 1 473 . 1 1 43 43 GLN C C 13 175.329 0.300 . 1 . . . . 43 GLN C . 10263 1 474 . 1 1 43 43 GLN CA C 13 54.005 0.300 . 1 . . . . 43 GLN CA . 10263 1 475 . 1 1 43 43 GLN CB C 13 33.429 0.300 . 1 . . . . 43 GLN CB . 10263 1 476 . 1 1 43 43 GLN CG C 13 34.556 0.300 . 1 . . . . 43 GLN CG . 10263 1 477 . 1 1 43 43 GLN N N 15 123.932 0.300 . 1 . . . . 43 GLN N . 10263 1 478 . 1 1 43 43 GLN NE2 N 15 112.033 0.300 . 1 . . . . 43 GLN NE2 . 10263 1 479 . 1 1 44 44 TYR H H 1 8.615 0.030 . 1 . . . . 44 TYR H . 10263 1 480 . 1 1 44 44 TYR HA H 1 5.783 0.030 . 1 . . . . 44 TYR HA . 10263 1 481 . 1 1 44 44 TYR HB2 H 1 2.704 0.030 . 2 . . . . 44 TYR HB2 . 10263 1 482 . 1 1 44 44 TYR HB3 H 1 2.054 0.030 . 2 . . . . 44 TYR HB3 . 10263 1 483 . 1 1 44 44 TYR HD1 H 1 6.624 0.030 . 1 . . . . 44 TYR HD1 . 10263 1 484 . 1 1 44 44 TYR HD2 H 1 6.624 0.030 . 1 . . . . 44 TYR HD2 . 10263 1 485 . 1 1 44 44 TYR HE1 H 1 6.724 0.030 . 1 . . . . 44 TYR HE1 . 10263 1 486 . 1 1 44 44 TYR HE2 H 1 6.724 0.030 . 1 . . . . 44 TYR HE2 . 10263 1 487 . 1 1 44 44 TYR C C 13 174.058 0.300 . 1 . . . . 44 TYR C . 10263 1 488 . 1 1 44 44 TYR CA C 13 55.942 0.300 . 1 . . . . 44 TYR CA . 10263 1 489 . 1 1 44 44 TYR CB C 13 43.052 0.300 . 1 . . . . 44 TYR CB . 10263 1 490 . 1 1 44 44 TYR CD1 C 13 132.688 0.300 . 1 . . . . 44 TYR CD1 . 10263 1 491 . 1 1 44 44 TYR CD2 C 13 132.688 0.300 . 1 . . . . 44 TYR CD2 . 10263 1 492 . 1 1 44 44 TYR CE1 C 13 118.172 0.300 . 1 . . . . 44 TYR CE1 . 10263 1 493 . 1 1 44 44 TYR CE2 C 13 118.172 0.300 . 1 . . . . 44 TYR CE2 . 10263 1 494 . 1 1 44 44 TYR N N 15 117.355 0.300 . 1 . . . . 44 TYR N . 10263 1 495 . 1 1 45 45 CYS H H 1 8.377 0.030 . 1 . . . . 45 CYS H . 10263 1 496 . 1 1 45 45 CYS HA H 1 4.772 0.030 . 1 . . . . 45 CYS HA . 10263 1 497 . 1 1 45 45 CYS HB2 H 1 3.075 0.030 . 2 . . . . 45 CYS HB2 . 10263 1 498 . 1 1 45 45 CYS HB3 H 1 2.993 0.030 . 2 . . . . 45 CYS HB3 . 10263 1 499 . 1 1 45 45 CYS C C 13 173.205 0.300 . 1 . . . . 45 CYS C . 10263 1 500 . 1 1 45 45 CYS CA C 13 55.960 0.300 . 1 . . . . 45 CYS CA . 10263 1 501 . 1 1 45 45 CYS CB C 13 30.665 0.300 . 1 . . . . 45 CYS CB . 10263 1 502 . 1 1 45 45 CYS N N 15 115.140 0.300 . 1 . . . . 45 CYS N . 10263 1 503 . 1 1 46 46 ARG H H 1 9.165 0.030 . 1 . . . . 46 ARG H . 10263 1 504 . 1 1 46 46 ARG HA H 1 4.068 0.030 . 1 . . . . 46 ARG HA . 10263 1 505 . 1 1 46 46 ARG HB2 H 1 1.721 0.030 . 2 . . . . 46 ARG HB2 . 10263 1 506 . 1 1 46 46 ARG HB3 H 1 1.539 0.030 . 2 . . . . 46 ARG HB3 . 10263 1 507 . 1 1 46 46 ARG HD2 H 1 3.069 0.030 . 2 . . . . 46 ARG HD2 . 10263 1 508 . 1 1 46 46 ARG HD3 H 1 2.919 0.030 . 2 . . . . 46 ARG HD3 . 10263 1 509 . 1 1 46 46 ARG HG2 H 1 1.375 0.030 . 2 . . . . 46 ARG HG2 . 10263 1 510 . 1 1 46 46 ARG HG3 H 1 0.972 0.030 . 2 . . . . 46 ARG HG3 . 10263 1 511 . 1 1 46 46 ARG C C 13 178.440 0.300 . 1 . . . . 46 ARG C . 10263 1 512 . 1 1 46 46 ARG CA C 13 56.401 0.300 . 1 . . . . 46 ARG CA . 10263 1 513 . 1 1 46 46 ARG CB C 13 31.878 0.300 . 1 . . . . 46 ARG CB . 10263 1 514 . 1 1 46 46 ARG CD C 13 43.622 0.300 . 1 . . . . 46 ARG CD . 10263 1 515 . 1 1 46 46 ARG CG C 13 28.206 0.300 . 1 . . . . 46 ARG CG . 10263 1 516 . 1 1 46 46 ARG N N 15 121.803 0.300 . 1 . . . . 46 ARG N . 10263 1 517 . 1 1 47 47 ALA H H 1 8.273 0.030 . 1 . . . . 47 ALA H . 10263 1 518 . 1 1 47 47 ALA HA H 1 3.891 0.030 . 1 . . . . 47 ALA HA . 10263 1 519 . 1 1 47 47 ALA HB1 H 1 1.262 0.030 . 1 . . . . 47 ALA HB . 10263 1 520 . 1 1 47 47 ALA HB2 H 1 1.262 0.030 . 1 . . . . 47 ALA HB . 10263 1 521 . 1 1 47 47 ALA HB3 H 1 1.262 0.030 . 1 . . . . 47 ALA HB . 10263 1 522 . 1 1 47 47 ALA C C 13 177.599 0.300 . 1 . . . . 47 ALA C . 10263 1 523 . 1 1 47 47 ALA CA C 13 54.796 0.300 . 1 . . . . 47 ALA CA . 10263 1 524 . 1 1 47 47 ALA CB C 13 18.287 0.300 . 1 . . . . 47 ALA CB . 10263 1 525 . 1 1 47 47 ALA N N 15 123.895 0.300 . 1 . . . . 47 ALA N . 10263 1 526 . 1 1 48 48 ASP H H 1 8.036 0.030 . 1 . . . . 48 ASP H . 10263 1 527 . 1 1 48 48 ASP HA H 1 4.453 0.030 . 1 . . . . 48 ASP HA . 10263 1 528 . 1 1 48 48 ASP HB2 H 1 2.884 0.030 . 2 . . . . 48 ASP HB2 . 10263 1 529 . 1 1 48 48 ASP HB3 H 1 2.515 0.030 . 2 . . . . 48 ASP HB3 . 10263 1 530 . 1 1 48 48 ASP C C 13 175.836 0.300 . 1 . . . . 48 ASP C . 10263 1 531 . 1 1 48 48 ASP CA C 13 53.368 0.300 . 1 . . . . 48 ASP CA . 10263 1 532 . 1 1 48 48 ASP CB C 13 39.964 0.300 . 1 . . . . 48 ASP CB . 10263 1 533 . 1 1 48 48 ASP N N 15 112.576 0.300 . 1 . . . . 48 ASP N . 10263 1 534 . 1 1 49 49 GLU H H 1 7.495 0.030 . 1 . . . . 49 GLU H . 10263 1 535 . 1 1 49 49 GLU HA H 1 4.308 0.030 . 1 . . . . 49 GLU HA . 10263 1 536 . 1 1 49 49 GLU HB2 H 1 1.977 0.030 . 1 . . . . 49 GLU HB2 . 10263 1 537 . 1 1 49 49 GLU HB3 H 1 1.977 0.030 . 1 . . . . 49 GLU HB3 . 10263 1 538 . 1 1 49 49 GLU HG2 H 1 2.222 0.030 . 1 . . . . 49 GLU HG2 . 10263 1 539 . 1 1 49 49 GLU HG3 H 1 2.222 0.030 . 1 . . . . 49 GLU HG3 . 10263 1 540 . 1 1 49 49 GLU C C 13 175.756 0.300 . 1 . . . . 49 GLU C . 10263 1 541 . 1 1 49 49 GLU CA C 13 56.224 0.300 . 1 . . . . 49 GLU CA . 10263 1 542 . 1 1 49 49 GLU CB C 13 32.248 0.300 . 1 . . . . 49 GLU CB . 10263 1 543 . 1 1 49 49 GLU CG C 13 37.268 0.300 . 1 . . . . 49 GLU CG . 10263 1 544 . 1 1 49 49 GLU N N 15 120.609 0.300 . 1 . . . . 49 GLU N . 10263 1 545 . 1 1 50 50 ALA H H 1 8.416 0.030 . 1 . . . . 50 ALA H . 10263 1 546 . 1 1 50 50 ALA HA H 1 4.200 0.030 . 1 . . . . 50 ALA HA . 10263 1 547 . 1 1 50 50 ALA HB1 H 1 1.358 0.030 . 1 . . . . 50 ALA HB . 10263 1 548 . 1 1 50 50 ALA HB2 H 1 1.358 0.030 . 1 . . . . 50 ALA HB . 10263 1 549 . 1 1 50 50 ALA HB3 H 1 1.358 0.030 . 1 . . . . 50 ALA HB . 10263 1 550 . 1 1 50 50 ALA C C 13 177.433 0.300 . 1 . . . . 50 ALA C . 10263 1 551 . 1 1 50 50 ALA CA C 13 53.297 0.300 . 1 . . . . 50 ALA CA . 10263 1 552 . 1 1 50 50 ALA CB C 13 19.474 0.300 . 1 . . . . 50 ALA CB . 10263 1 553 . 1 1 50 50 ALA N N 15 124.065 0.300 . 1 . . . . 50 ALA N . 10263 1 554 . 1 1 51 51 ARG H H 1 7.648 0.030 . 1 . . . . 51 ARG H . 10263 1 555 . 1 1 51 51 ARG HA H 1 4.747 0.030 . 1 . . . . 51 ARG HA . 10263 1 556 . 1 1 51 51 ARG HB2 H 1 1.753 0.030 . 2 . . . . 51 ARG HB2 . 10263 1 557 . 1 1 51 51 ARG HB3 H 1 1.655 0.030 . 2 . . . . 51 ARG HB3 . 10263 1 558 . 1 1 51 51 ARG HD2 H 1 3.161 0.030 . 1 . . . . 51 ARG HD2 . 10263 1 559 . 1 1 51 51 ARG HD3 H 1 3.161 0.030 . 1 . . . . 51 ARG HD3 . 10263 1 560 . 1 1 51 51 ARG HG2 H 1 1.551 0.030 . 2 . . . . 51 ARG HG2 . 10263 1 561 . 1 1 51 51 ARG HG3 H 1 1.516 0.030 . 2 . . . . 51 ARG HG3 . 10263 1 562 . 1 1 51 51 ARG C C 13 173.400 0.300 . 1 . . . . 51 ARG C . 10263 1 563 . 1 1 51 51 ARG CA C 13 52.592 0.300 . 1 . . . . 51 ARG CA . 10263 1 564 . 1 1 51 51 ARG CB C 13 31.212 0.300 . 1 . . . . 51 ARG CB . 10263 1 565 . 1 1 51 51 ARG CD C 13 43.346 0.300 . 1 . . . . 51 ARG CD . 10263 1 566 . 1 1 51 51 ARG CG C 13 26.610 0.300 . 1 . . . . 51 ARG CG . 10263 1 567 . 1 1 51 51 ARG N N 15 117.798 0.300 . 1 . . . . 51 ARG N . 10263 1 568 . 1 1 52 52 PRO HA H 1 4.212 0.030 . 1 . . . . 52 PRO HA . 10263 1 569 . 1 1 52 52 PRO HB2 H 1 1.822 0.030 . 2 . . . . 52 PRO HB2 . 10263 1 570 . 1 1 52 52 PRO HB3 H 1 1.567 0.030 . 2 . . . . 52 PRO HB3 . 10263 1 571 . 1 1 52 52 PRO HD2 H 1 3.716 0.030 . 2 . . . . 52 PRO HD2 . 10263 1 572 . 1 1 52 52 PRO HD3 H 1 3.586 0.030 . 2 . . . . 52 PRO HD3 . 10263 1 573 . 1 1 52 52 PRO HG2 H 1 1.802 0.030 . 2 . . . . 52 PRO HG2 . 10263 1 574 . 1 1 52 52 PRO HG3 H 1 1.758 0.030 . 2 . . . . 52 PRO HG3 . 10263 1 575 . 1 1 52 52 PRO C C 13 176.380 0.300 . 1 . . . . 52 PRO C . 10263 1 576 . 1 1 52 52 PRO CA C 13 62.360 0.300 . 1 . . . . 52 PRO CA . 10263 1 577 . 1 1 52 52 PRO CB C 13 32.331 0.300 . 1 . . . . 52 PRO CB . 10263 1 578 . 1 1 52 52 PRO CD C 13 50.462 0.300 . 1 . . . . 52 PRO CD . 10263 1 579 . 1 1 52 52 PRO CG C 13 26.400 0.300 . 1 . . . . 52 PRO CG . 10263 1 580 . 1 1 53 53 ASN H H 1 8.127 0.030 . 1 . . . . 53 ASN H . 10263 1 581 . 1 1 53 53 ASN HA H 1 4.651 0.030 . 1 . . . . 53 ASN HA . 10263 1 582 . 1 1 53 53 ASN HB2 H 1 2.108 0.030 . 2 . . . . 53 ASN HB2 . 10263 1 583 . 1 1 53 53 ASN HB3 H 1 1.709 0.030 . 2 . . . . 53 ASN HB3 . 10263 1 584 . 1 1 53 53 ASN HD21 H 1 7.319 0.030 . 2 . . . . 53 ASN HD21 . 10263 1 585 . 1 1 53 53 ASN HD22 H 1 6.267 0.030 . 2 . . . . 53 ASN HD22 . 10263 1 586 . 1 1 53 53 ASN C C 13 174.354 0.300 . 1 . . . . 53 ASN C . 10263 1 587 . 1 1 53 53 ASN CA C 13 53.136 0.300 . 1 . . . . 53 ASN CA . 10263 1 588 . 1 1 53 53 ASN CB C 13 39.666 0.300 . 1 . . . . 53 ASN CB . 10263 1 589 . 1 1 53 53 ASN N N 15 119.405 0.300 . 1 . . . . 53 ASN N . 10263 1 590 . 1 1 53 53 ASN ND2 N 15 114.412 0.300 . 1 . . . . 53 ASN ND2 . 10263 1 591 . 1 1 54 54 THR H H 1 8.425 0.030 . 1 . . . . 54 THR H . 10263 1 592 . 1 1 54 54 THR HA H 1 5.306 0.030 . 1 . . . . 54 THR HA . 10263 1 593 . 1 1 54 54 THR HB H 1 3.789 0.030 . 1 . . . . 54 THR HB . 10263 1 594 . 1 1 54 54 THR HG21 H 1 1.029 0.030 . 1 . . . . 54 THR HG2 . 10263 1 595 . 1 1 54 54 THR HG22 H 1 1.029 0.030 . 1 . . . . 54 THR HG2 . 10263 1 596 . 1 1 54 54 THR HG23 H 1 1.029 0.030 . 1 . . . . 54 THR HG2 . 10263 1 597 . 1 1 54 54 THR C C 13 173.850 0.300 . 1 . . . . 54 THR C . 10263 1 598 . 1 1 54 54 THR CA C 13 61.881 0.300 . 1 . . . . 54 THR CA . 10263 1 599 . 1 1 54 54 THR CB C 13 70.573 0.300 . 1 . . . . 54 THR CB . 10263 1 600 . 1 1 54 54 THR CG2 C 13 21.708 0.300 . 1 . . . . 54 THR CG2 . 10263 1 601 . 1 1 54 54 THR N N 15 118.968 0.300 . 1 . . . . 54 THR N . 10263 1 602 . 1 1 55 55 ILE H H 1 9.354 0.030 . 1 . . . . 55 ILE H . 10263 1 603 . 1 1 55 55 ILE HA H 1 4.051 0.030 . 1 . . . . 55 ILE HA . 10263 1 604 . 1 1 55 55 ILE HB H 1 1.299 0.030 . 1 . . . . 55 ILE HB . 10263 1 605 . 1 1 55 55 ILE HD11 H 1 0.867 0.030 . 1 . . . . 55 ILE HD1 . 10263 1 606 . 1 1 55 55 ILE HD12 H 1 0.867 0.030 . 1 . . . . 55 ILE HD1 . 10263 1 607 . 1 1 55 55 ILE HD13 H 1 0.867 0.030 . 1 . . . . 55 ILE HD1 . 10263 1 608 . 1 1 55 55 ILE HG12 H 1 1.347 0.030 . 2 . . . . 55 ILE HG12 . 10263 1 609 . 1 1 55 55 ILE HG13 H 1 0.970 0.030 . 2 . . . . 55 ILE HG13 . 10263 1 610 . 1 1 55 55 ILE HG21 H 1 0.024 0.030 . 1 . . . . 55 ILE HG2 . 10263 1 611 . 1 1 55 55 ILE HG22 H 1 0.024 0.030 . 1 . . . . 55 ILE HG2 . 10263 1 612 . 1 1 55 55 ILE HG23 H 1 0.024 0.030 . 1 . . . . 55 ILE HG2 . 10263 1 613 . 1 1 55 55 ILE C C 13 172.975 0.300 . 1 . . . . 55 ILE C . 10263 1 614 . 1 1 55 55 ILE CA C 13 61.003 0.300 . 1 . . . . 55 ILE CA . 10263 1 615 . 1 1 55 55 ILE CB C 13 41.619 0.300 . 1 . . . . 55 ILE CB . 10263 1 616 . 1 1 55 55 ILE CD1 C 13 14.929 0.300 . 1 . . . . 55 ILE CD1 . 10263 1 617 . 1 1 55 55 ILE CG1 C 13 27.541 0.300 . 1 . . . . 55 ILE CG1 . 10263 1 618 . 1 1 55 55 ILE CG2 C 13 18.467 0.300 . 1 . . . . 55 ILE CG2 . 10263 1 619 . 1 1 55 55 ILE N N 15 127.961 0.300 . 1 . . . . 55 ILE N . 10263 1 620 . 1 1 56 56 ASP H H 1 8.132 0.030 . 1 . . . . 56 ASP H . 10263 1 621 . 1 1 56 56 ASP HA H 1 5.334 0.030 . 1 . . . . 56 ASP HA . 10263 1 622 . 1 1 56 56 ASP HB2 H 1 2.539 0.030 . 2 . . . . 56 ASP HB2 . 10263 1 623 . 1 1 56 56 ASP HB3 H 1 2.341 0.030 . 2 . . . . 56 ASP HB3 . 10263 1 624 . 1 1 56 56 ASP C C 13 174.969 0.300 . 1 . . . . 56 ASP C . 10263 1 625 . 1 1 56 56 ASP CA C 13 53.702 0.300 . 1 . . . . 56 ASP CA . 10263 1 626 . 1 1 56 56 ASP CB C 13 43.251 0.300 . 1 . . . . 56 ASP CB . 10263 1 627 . 1 1 56 56 ASP N N 15 125.882 0.300 . 1 . . . . 56 ASP N . 10263 1 628 . 1 1 57 57 PHE H H 1 8.955 0.030 . 1 . . . . 57 PHE H . 10263 1 629 . 1 1 57 57 PHE HA H 1 4.915 0.030 . 1 . . . . 57 PHE HA . 10263 1 630 . 1 1 57 57 PHE HB2 H 1 4.024 0.030 . 2 . . . . 57 PHE HB2 . 10263 1 631 . 1 1 57 57 PHE HB3 H 1 2.759 0.030 . 2 . . . . 57 PHE HB3 . 10263 1 632 . 1 1 57 57 PHE HD1 H 1 6.906 0.030 . 1 . . . . 57 PHE HD1 . 10263 1 633 . 1 1 57 57 PHE HD2 H 1 6.906 0.030 . 1 . . . . 57 PHE HD2 . 10263 1 634 . 1 1 57 57 PHE HE1 H 1 5.801 0.030 . 1 . . . . 57 PHE HE1 . 10263 1 635 . 1 1 57 57 PHE HE2 H 1 5.801 0.030 . 1 . . . . 57 PHE HE2 . 10263 1 636 . 1 1 57 57 PHE HZ H 1 6.979 0.030 . 1 . . . . 57 PHE HZ . 10263 1 637 . 1 1 57 57 PHE C C 13 177.361 0.300 . 1 . . . . 57 PHE C . 10263 1 638 . 1 1 57 57 PHE CA C 13 57.458 0.300 . 1 . . . . 57 PHE CA . 10263 1 639 . 1 1 57 57 PHE CB C 13 43.737 0.300 . 1 . . . . 57 PHE CB . 10263 1 640 . 1 1 57 57 PHE CD1 C 13 131.158 0.300 . 1 . . . . 57 PHE CD1 . 10263 1 641 . 1 1 57 57 PHE CD2 C 13 131.158 0.300 . 1 . . . . 57 PHE CD2 . 10263 1 642 . 1 1 57 57 PHE CE1 C 13 128.879 0.300 . 1 . . . . 57 PHE CE1 . 10263 1 643 . 1 1 57 57 PHE CE2 C 13 128.879 0.300 . 1 . . . . 57 PHE CE2 . 10263 1 644 . 1 1 57 57 PHE CZ C 13 131.140 0.300 . 1 . . . . 57 PHE CZ . 10263 1 645 . 1 1 57 57 PHE N N 15 118.872 0.300 . 1 . . . . 57 PHE N . 10263 1 646 . 1 1 58 58 GLY H H 1 9.552 0.030 . 1 . . . . 58 GLY H . 10263 1 647 . 1 1 58 58 GLY HA2 H 1 4.662 0.030 . 2 . . . . 58 GLY HA2 . 10263 1 648 . 1 1 58 58 GLY HA3 H 1 4.126 0.030 . 2 . . . . 58 GLY HA3 . 10263 1 649 . 1 1 58 58 GLY C C 13 174.760 0.300 . 1 . . . . 58 GLY C . 10263 1 650 . 1 1 58 58 GLY CA C 13 44.680 0.300 . 1 . . . . 58 GLY CA . 10263 1 651 . 1 1 58 58 GLY N N 15 111.551 0.300 . 1 . . . . 58 GLY N . 10263 1 652 . 1 1 59 59 LYS H H 1 8.211 0.030 . 1 . . . . 59 LYS H . 10263 1 653 . 1 1 59 59 LYS HA H 1 3.782 0.030 . 1 . . . . 59 LYS HA . 10263 1 654 . 1 1 59 59 LYS HB2 H 1 1.785 0.030 . 2 . . . . 59 LYS HB2 . 10263 1 655 . 1 1 59 59 LYS HB3 H 1 1.449 0.030 . 2 . . . . 59 LYS HB3 . 10263 1 656 . 1 1 59 59 LYS HD2 H 1 1.740 0.030 . 1 . . . . 59 LYS HD2 . 10263 1 657 . 1 1 59 59 LYS HD3 H 1 1.740 0.030 . 1 . . . . 59 LYS HD3 . 10263 1 658 . 1 1 59 59 LYS HE2 H 1 3.045 0.030 . 1 . . . . 59 LYS HE2 . 10263 1 659 . 1 1 59 59 LYS HE3 H 1 3.045 0.030 . 1 . . . . 59 LYS HE3 . 10263 1 660 . 1 1 59 59 LYS HG2 H 1 1.427 0.030 . 2 . . . . 59 LYS HG2 . 10263 1 661 . 1 1 59 59 LYS HG3 H 1 1.305 0.030 . 2 . . . . 59 LYS HG3 . 10263 1 662 . 1 1 59 59 LYS C C 13 176.154 0.300 . 1 . . . . 59 LYS C . 10263 1 663 . 1 1 59 59 LYS CA C 13 59.080 0.300 . 1 . . . . 59 LYS CA . 10263 1 664 . 1 1 59 59 LYS CB C 13 32.516 0.300 . 1 . . . . 59 LYS CB . 10263 1 665 . 1 1 59 59 LYS CD C 13 29.548 0.300 . 1 . . . . 59 LYS CD . 10263 1 666 . 1 1 59 59 LYS CE C 13 42.205 0.300 . 1 . . . . 59 LYS CE . 10263 1 667 . 1 1 59 59 LYS CG C 13 23.409 0.300 . 1 . . . . 59 LYS CG . 10263 1 668 . 1 1 59 59 LYS N N 15 115.953 0.300 . 1 . . . . 59 LYS N . 10263 1 669 . 1 1 60 60 ASP H H 1 8.634 0.030 . 1 . . . . 60 ASP H . 10263 1 670 . 1 1 60 60 ASP HA H 1 4.882 0.030 . 1 . . . . 60 ASP HA . 10263 1 671 . 1 1 60 60 ASP HB2 H 1 2.891 0.030 . 2 . . . . 60 ASP HB2 . 10263 1 672 . 1 1 60 60 ASP HB3 H 1 2.576 0.030 . 2 . . . . 60 ASP HB3 . 10263 1 673 . 1 1 60 60 ASP C C 13 176.039 0.300 . 1 . . . . 60 ASP C . 10263 1 674 . 1 1 60 60 ASP CA C 13 54.327 0.300 . 1 . . . . 60 ASP CA . 10263 1 675 . 1 1 60 60 ASP CB C 13 41.461 0.300 . 1 . . . . 60 ASP CB . 10263 1 676 . 1 1 60 60 ASP N N 15 117.261 0.300 . 1 . . . . 60 ASP N . 10263 1 677 . 1 1 61 61 ASP H H 1 7.500 0.030 . 1 . . . . 61 ASP H . 10263 1 678 . 1 1 61 61 ASP HA H 1 4.591 0.030 . 1 . . . . 61 ASP HA . 10263 1 679 . 1 1 61 61 ASP HB2 H 1 3.257 0.030 . 2 . . . . 61 ASP HB2 . 10263 1 680 . 1 1 61 61 ASP HB3 H 1 2.599 0.030 . 2 . . . . 61 ASP HB3 . 10263 1 681 . 1 1 61 61 ASP C C 13 175.140 0.300 . 1 . . . . 61 ASP C . 10263 1 682 . 1 1 61 61 ASP CA C 13 55.342 0.300 . 1 . . . . 61 ASP CA . 10263 1 683 . 1 1 61 61 ASP CB C 13 42.475 0.300 . 1 . . . . 61 ASP CB . 10263 1 684 . 1 1 61 61 ASP N N 15 122.319 0.300 . 1 . . . . 61 ASP N . 10263 1 685 . 1 1 62 62 GLN H H 1 8.239 0.030 . 1 . . . . 62 GLN H . 10263 1 686 . 1 1 62 62 GLN HA H 1 2.569 0.030 . 1 . . . . 62 GLN HA . 10263 1 687 . 1 1 62 62 GLN HB2 H 1 2.035 0.030 . 2 . . . . 62 GLN HB2 . 10263 1 688 . 1 1 62 62 GLN HB3 H 1 1.348 0.030 . 2 . . . . 62 GLN HB3 . 10263 1 689 . 1 1 62 62 GLN HE21 H 1 7.418 0.030 . 2 . . . . 62 GLN HE21 . 10263 1 690 . 1 1 62 62 GLN HE22 H 1 6.871 0.030 . 2 . . . . 62 GLN HE22 . 10263 1 691 . 1 1 62 62 GLN HG2 H 1 1.907 0.030 . 1 . . . . 62 GLN HG2 . 10263 1 692 . 1 1 62 62 GLN HG3 H 1 1.907 0.030 . 1 . . . . 62 GLN HG3 . 10263 1 693 . 1 1 62 62 GLN C C 13 172.652 0.300 . 1 . . . . 62 GLN C . 10263 1 694 . 1 1 62 62 GLN CA C 13 54.038 0.300 . 1 . . . . 62 GLN CA . 10263 1 695 . 1 1 62 62 GLN CB C 13 31.481 0.300 . 1 . . . . 62 GLN CB . 10263 1 696 . 1 1 62 62 GLN CG C 13 35.133 0.300 . 1 . . . . 62 GLN CG . 10263 1 697 . 1 1 62 62 GLN N N 15 117.458 0.300 . 1 . . . . 62 GLN N . 10263 1 698 . 1 1 62 62 GLN NE2 N 15 110.545 0.300 . 1 . . . . 62 GLN NE2 . 10263 1 699 . 1 1 63 63 HIS H H 1 6.338 0.030 . 1 . . . . 63 HIS H . 10263 1 700 . 1 1 63 63 HIS HA H 1 4.423 0.030 . 1 . . . . 63 HIS HA . 10263 1 701 . 1 1 63 63 HIS HB2 H 1 2.869 0.030 . 2 . . . . 63 HIS HB2 . 10263 1 702 . 1 1 63 63 HIS HB3 H 1 2.836 0.030 . 2 . . . . 63 HIS HB3 . 10263 1 703 . 1 1 63 63 HIS HD2 H 1 6.745 0.030 . 1 . . . . 63 HIS HD2 . 10263 1 704 . 1 1 63 63 HIS C C 13 173.031 0.300 . 1 . . . . 63 HIS C . 10263 1 705 . 1 1 63 63 HIS CA C 13 54.743 0.300 . 1 . . . . 63 HIS CA . 10263 1 706 . 1 1 63 63 HIS CB C 13 32.661 0.300 . 1 . . . . 63 HIS CB . 10263 1 707 . 1 1 63 63 HIS CD2 C 13 120.079 0.300 . 1 . . . . 63 HIS CD2 . 10263 1 708 . 1 1 63 63 HIS N N 15 113.589 0.300 . 1 . . . . 63 HIS N . 10263 1 709 . 1 1 64 64 PHE H H 1 8.549 0.030 . 1 . . . . 64 PHE H . 10263 1 710 . 1 1 64 64 PHE HA H 1 4.578 0.030 . 1 . . . . 64 PHE HA . 10263 1 711 . 1 1 64 64 PHE HB2 H 1 3.562 0.030 . 2 . . . . 64 PHE HB2 . 10263 1 712 . 1 1 64 64 PHE HB3 H 1 2.469 0.030 . 2 . . . . 64 PHE HB3 . 10263 1 713 . 1 1 64 64 PHE HD1 H 1 7.288 0.030 . 1 . . . . 64 PHE HD1 . 10263 1 714 . 1 1 64 64 PHE HD2 H 1 7.288 0.030 . 1 . . . . 64 PHE HD2 . 10263 1 715 . 1 1 64 64 PHE HE1 H 1 7.443 0.030 . 1 . . . . 64 PHE HE1 . 10263 1 716 . 1 1 64 64 PHE HE2 H 1 7.443 0.030 . 1 . . . . 64 PHE HE2 . 10263 1 717 . 1 1 64 64 PHE HZ H 1 7.495 0.030 . 1 . . . . 64 PHE HZ . 10263 1 718 . 1 1 64 64 PHE C C 13 173.015 0.300 . 1 . . . . 64 PHE C . 10263 1 719 . 1 1 64 64 PHE CA C 13 58.516 0.300 . 1 . . . . 64 PHE CA . 10263 1 720 . 1 1 64 64 PHE CB C 13 43.525 0.300 . 1 . . . . 64 PHE CB . 10263 1 721 . 1 1 64 64 PHE CD1 C 13 131.386 0.300 . 1 . . . . 64 PHE CD1 . 10263 1 722 . 1 1 64 64 PHE CD2 C 13 131.386 0.300 . 1 . . . . 64 PHE CD2 . 10263 1 723 . 1 1 64 64 PHE CE1 C 13 132.059 0.300 . 1 . . . . 64 PHE CE1 . 10263 1 724 . 1 1 64 64 PHE CE2 C 13 132.059 0.300 . 1 . . . . 64 PHE CE2 . 10263 1 725 . 1 1 64 64 PHE CZ C 13 130.744 0.300 . 1 . . . . 64 PHE CZ . 10263 1 726 . 1 1 64 64 PHE N N 15 118.214 0.300 . 1 . . . . 64 PHE N . 10263 1 727 . 1 1 65 65 THR H H 1 7.150 0.030 . 1 . . . . 65 THR H . 10263 1 728 . 1 1 65 65 THR HA H 1 4.930 0.030 . 1 . . . . 65 THR HA . 10263 1 729 . 1 1 65 65 THR HB H 1 3.639 0.030 . 1 . . . . 65 THR HB . 10263 1 730 . 1 1 65 65 THR HG21 H 1 0.835 0.030 . 1 . . . . 65 THR HG2 . 10263 1 731 . 1 1 65 65 THR HG22 H 1 0.835 0.030 . 1 . . . . 65 THR HG2 . 10263 1 732 . 1 1 65 65 THR HG23 H 1 0.835 0.030 . 1 . . . . 65 THR HG2 . 10263 1 733 . 1 1 65 65 THR C C 13 172.457 0.300 . 1 . . . . 65 THR C . 10263 1 734 . 1 1 65 65 THR CA C 13 61.690 0.300 . 1 . . . . 65 THR CA . 10263 1 735 . 1 1 65 65 THR CB C 13 69.593 0.300 . 1 . . . . 65 THR CB . 10263 1 736 . 1 1 65 65 THR CG2 C 13 21.203 0.300 . 1 . . . . 65 THR CG2 . 10263 1 737 . 1 1 65 65 THR N N 15 123.198 0.300 . 1 . . . . 65 THR N . 10263 1 738 . 1 1 66 66 VAL H H 1 8.888 0.030 . 1 . . . . 66 VAL H . 10263 1 739 . 1 1 66 66 VAL HA H 1 4.018 0.030 . 1 . . . . 66 VAL HA . 10263 1 740 . 1 1 66 66 VAL HB H 1 1.760 0.030 . 1 . . . . 66 VAL HB . 10263 1 741 . 1 1 66 66 VAL HG11 H 1 0.667 0.030 . 1 . . . . 66 VAL HG1 . 10263 1 742 . 1 1 66 66 VAL HG12 H 1 0.667 0.030 . 1 . . . . 66 VAL HG1 . 10263 1 743 . 1 1 66 66 VAL HG13 H 1 0.667 0.030 . 1 . . . . 66 VAL HG1 . 10263 1 744 . 1 1 66 66 VAL HG21 H 1 0.868 0.030 . 1 . . . . 66 VAL HG2 . 10263 1 745 . 1 1 66 66 VAL HG22 H 1 0.868 0.030 . 1 . . . . 66 VAL HG2 . 10263 1 746 . 1 1 66 66 VAL HG23 H 1 0.868 0.030 . 1 . . . . 66 VAL HG2 . 10263 1 747 . 1 1 66 66 VAL C C 13 174.868 0.300 . 1 . . . . 66 VAL C . 10263 1 748 . 1 1 66 66 VAL CA C 13 61.178 0.300 . 1 . . . . 66 VAL CA . 10263 1 749 . 1 1 66 66 VAL CB C 13 33.114 0.300 . 1 . . . . 66 VAL CB . 10263 1 750 . 1 1 66 66 VAL CG1 C 13 21.685 0.300 . 2 . . . . 66 VAL CG1 . 10263 1 751 . 1 1 66 66 VAL CG2 C 13 22.079 0.300 . 2 . . . . 66 VAL CG2 . 10263 1 752 . 1 1 66 66 VAL N N 15 126.840 0.300 . 1 . . . . 66 VAL N . 10263 1 753 . 1 1 67 67 THR H H 1 8.174 0.030 . 1 . . . . 67 THR H . 10263 1 754 . 1 1 67 67 THR HA H 1 4.816 0.030 . 1 . . . . 67 THR HA . 10263 1 755 . 1 1 67 67 THR HB H 1 4.266 0.030 . 1 . . . . 67 THR HB . 10263 1 756 . 1 1 67 67 THR HG21 H 1 1.021 0.030 . 1 . . . . 67 THR HG2 . 10263 1 757 . 1 1 67 67 THR HG22 H 1 1.021 0.030 . 1 . . . . 67 THR HG2 . 10263 1 758 . 1 1 67 67 THR HG23 H 1 1.021 0.030 . 1 . . . . 67 THR HG2 . 10263 1 759 . 1 1 67 67 THR C C 13 174.494 0.300 . 1 . . . . 67 THR C . 10263 1 760 . 1 1 67 67 THR CA C 13 59.786 0.300 . 1 . . . . 67 THR CA . 10263 1 761 . 1 1 67 67 THR CB C 13 70.887 0.300 . 1 . . . . 67 THR CB . 10263 1 762 . 1 1 67 67 THR CG2 C 13 21.128 0.300 . 1 . . . . 67 THR CG2 . 10263 1 763 . 1 1 67 67 THR N N 15 116.127 0.300 . 1 . . . . 67 THR N . 10263 1 764 . 1 1 68 68 GLY H H 1 8.570 0.030 . 1 . . . . 68 GLY H . 10263 1 765 . 1 1 68 68 GLY HA2 H 1 3.970 0.030 . 2 . . . . 68 GLY HA2 . 10263 1 766 . 1 1 68 68 GLY HA3 H 1 3.819 0.030 . 2 . . . . 68 GLY HA3 . 10263 1 767 . 1 1 68 68 GLY C C 13 175.636 0.300 . 1 . . . . 68 GLY C . 10263 1 768 . 1 1 68 68 GLY CA C 13 46.397 0.300 . 1 . . . . 68 GLY CA . 10263 1 769 . 1 1 68 68 GLY N N 15 107.146 0.300 . 1 . . . . 68 GLY N . 10263 1 770 . 1 1 69 69 LEU H H 1 8.007 0.030 . 1 . . . . 69 LEU H . 10263 1 771 . 1 1 69 69 LEU HA H 1 4.154 0.030 . 1 . . . . 69 LEU HA . 10263 1 772 . 1 1 69 69 LEU HB2 H 1 1.229 0.030 . 2 . . . . 69 LEU HB2 . 10263 1 773 . 1 1 69 69 LEU HB3 H 1 1.122 0.030 . 2 . . . . 69 LEU HB3 . 10263 1 774 . 1 1 69 69 LEU HD11 H 1 0.263 0.030 . 1 . . . . 69 LEU HD1 . 10263 1 775 . 1 1 69 69 LEU HD12 H 1 0.263 0.030 . 1 . . . . 69 LEU HD1 . 10263 1 776 . 1 1 69 69 LEU HD13 H 1 0.263 0.030 . 1 . . . . 69 LEU HD1 . 10263 1 777 . 1 1 69 69 LEU HD21 H 1 -0.033 0.030 . 1 . . . . 69 LEU HD2 . 10263 1 778 . 1 1 69 69 LEU HD22 H 1 -0.033 0.030 . 1 . . . . 69 LEU HD2 . 10263 1 779 . 1 1 69 69 LEU HD23 H 1 -0.033 0.030 . 1 . . . . 69 LEU HD2 . 10263 1 780 . 1 1 69 69 LEU HG H 1 1.111 0.030 . 1 . . . . 69 LEU HG . 10263 1 781 . 1 1 69 69 LEU C C 13 176.830 0.300 . 1 . . . . 69 LEU C . 10263 1 782 . 1 1 69 69 LEU CA C 13 54.602 0.300 . 1 . . . . 69 LEU CA . 10263 1 783 . 1 1 69 69 LEU CB C 13 41.149 0.300 . 1 . . . . 69 LEU CB . 10263 1 784 . 1 1 69 69 LEU CD1 C 13 25.737 0.300 . 2 . . . . 69 LEU CD1 . 10263 1 785 . 1 1 69 69 LEU CD2 C 13 20.498 0.300 . 2 . . . . 69 LEU CD2 . 10263 1 786 . 1 1 69 69 LEU CG C 13 26.273 0.300 . 1 . . . . 69 LEU CG . 10263 1 787 . 1 1 69 69 LEU N N 15 118.433 0.300 . 1 . . . . 69 LEU N . 10263 1 788 . 1 1 70 70 HIS H H 1 8.866 0.030 . 1 . . . . 70 HIS H . 10263 1 789 . 1 1 70 70 HIS HA H 1 4.663 0.030 . 1 . . . . 70 HIS HA . 10263 1 790 . 1 1 70 70 HIS HB2 H 1 3.186 0.030 . 2 . . . . 70 HIS HB2 . 10263 1 791 . 1 1 70 70 HIS HB3 H 1 3.105 0.030 . 2 . . . . 70 HIS HB3 . 10263 1 792 . 1 1 70 70 HIS HD2 H 1 7.100 0.030 . 1 . . . . 70 HIS HD2 . 10263 1 793 . 1 1 70 70 HIS C C 13 176.667 0.300 . 1 . . . . 70 HIS C . 10263 1 794 . 1 1 70 70 HIS CA C 13 55.464 0.300 . 1 . . . . 70 HIS CA . 10263 1 795 . 1 1 70 70 HIS CB C 13 32.125 0.300 . 1 . . . . 70 HIS CB . 10263 1 796 . 1 1 70 70 HIS CD2 C 13 118.772 0.300 . 1 . . . . 70 HIS CD2 . 10263 1 797 . 1 1 70 70 HIS N N 15 122.457 0.300 . 1 . . . . 70 HIS N . 10263 1 798 . 1 1 71 71 LYS H H 1 8.716 0.030 . 1 . . . . 71 LYS H . 10263 1 799 . 1 1 71 71 LYS HA H 1 4.320 0.030 . 1 . . . . 71 LYS HA . 10263 1 800 . 1 1 71 71 LYS HB2 H 1 1.923 0.030 . 1 . . . . 71 LYS HB2 . 10263 1 801 . 1 1 71 71 LYS HB3 H 1 1.923 0.030 . 1 . . . . 71 LYS HB3 . 10263 1 802 . 1 1 71 71 LYS HD2 H 1 1.682 0.030 . 1 . . . . 71 LYS HD2 . 10263 1 803 . 1 1 71 71 LYS HD3 H 1 1.682 0.030 . 1 . . . . 71 LYS HD3 . 10263 1 804 . 1 1 71 71 LYS HE2 H 1 3.056 0.030 . 1 . . . . 71 LYS HE2 . 10263 1 805 . 1 1 71 71 LYS HE3 H 1 3.056 0.030 . 1 . . . . 71 LYS HE3 . 10263 1 806 . 1 1 71 71 LYS HG2 H 1 1.486 0.030 . 1 . . . . 71 LYS HG2 . 10263 1 807 . 1 1 71 71 LYS HG3 H 1 1.486 0.030 . 1 . . . . 71 LYS HG3 . 10263 1 808 . 1 1 71 71 LYS C C 13 178.110 0.300 . 1 . . . . 71 LYS C . 10263 1 809 . 1 1 71 71 LYS CA C 13 57.035 0.300 . 1 . . . . 71 LYS CA . 10263 1 810 . 1 1 71 71 LYS CB C 13 33.580 0.300 . 1 . . . . 71 LYS CB . 10263 1 811 . 1 1 71 71 LYS CD C 13 29.691 0.300 . 1 . . . . 71 LYS CD . 10263 1 812 . 1 1 71 71 LYS CE C 13 42.468 0.300 . 1 . . . . 71 LYS CE . 10263 1 813 . 1 1 71 71 LYS CG C 13 25.161 0.300 . 1 . . . . 71 LYS CG . 10263 1 814 . 1 1 71 71 LYS N N 15 123.173 0.300 . 1 . . . . 71 LYS N . 10263 1 815 . 1 1 72 72 GLY H H 1 7.709 0.030 . 1 . . . . 72 GLY H . 10263 1 816 . 1 1 72 72 GLY HA2 H 1 3.800 0.030 . 2 . . . . 72 GLY HA2 . 10263 1 817 . 1 1 72 72 GLY HA3 H 1 3.769 0.030 . 2 . . . . 72 GLY HA3 . 10263 1 818 . 1 1 72 72 GLY C C 13 174.231 0.300 . 1 . . . . 72 GLY C . 10263 1 819 . 1 1 72 72 GLY CA C 13 47.866 0.300 . 1 . . . . 72 GLY CA . 10263 1 820 . 1 1 72 72 GLY N N 15 114.881 0.300 . 1 . . . . 72 GLY N . 10263 1 821 . 1 1 73 73 THR H H 1 8.162 0.030 . 1 . . . . 73 THR H . 10263 1 822 . 1 1 73 73 THR HA H 1 4.584 0.030 . 1 . . . . 73 THR HA . 10263 1 823 . 1 1 73 73 THR HB H 1 3.859 0.030 . 1 . . . . 73 THR HB . 10263 1 824 . 1 1 73 73 THR HG21 H 1 0.847 0.030 . 1 . . . . 73 THR HG2 . 10263 1 825 . 1 1 73 73 THR HG22 H 1 0.847 0.030 . 1 . . . . 73 THR HG2 . 10263 1 826 . 1 1 73 73 THR HG23 H 1 0.847 0.030 . 1 . . . . 73 THR HG2 . 10263 1 827 . 1 1 73 73 THR C C 13 172.208 0.300 . 1 . . . . 73 THR C . 10263 1 828 . 1 1 73 73 THR CA C 13 62.307 0.300 . 1 . . . . 73 THR CA . 10263 1 829 . 1 1 73 73 THR CB C 13 72.123 0.300 . 1 . . . . 73 THR CB . 10263 1 830 . 1 1 73 73 THR CG2 C 13 20.957 0.300 . 1 . . . . 73 THR CG2 . 10263 1 831 . 1 1 73 73 THR N N 15 114.225 0.300 . 1 . . . . 73 THR N . 10263 1 832 . 1 1 74 74 THR H H 1 8.743 0.030 . 1 . . . . 74 THR H . 10263 1 833 . 1 1 74 74 THR HA H 1 5.138 0.030 . 1 . . . . 74 THR HA . 10263 1 834 . 1 1 74 74 THR HB H 1 3.930 0.030 . 1 . . . . 74 THR HB . 10263 1 835 . 1 1 74 74 THR HG21 H 1 1.144 0.030 . 1 . . . . 74 THR HG2 . 10263 1 836 . 1 1 74 74 THR HG22 H 1 1.144 0.030 . 1 . . . . 74 THR HG2 . 10263 1 837 . 1 1 74 74 THR HG23 H 1 1.144 0.030 . 1 . . . . 74 THR HG2 . 10263 1 838 . 1 1 74 74 THR C C 13 173.376 0.300 . 1 . . . . 74 THR C . 10263 1 839 . 1 1 74 74 THR CA C 13 62.724 0.300 . 1 . . . . 74 THR CA . 10263 1 840 . 1 1 74 74 THR CB C 13 69.202 0.300 . 1 . . . . 74 THR CB . 10263 1 841 . 1 1 74 74 THR CG2 C 13 22.324 0.300 . 1 . . . . 74 THR CG2 . 10263 1 842 . 1 1 74 74 THR N N 15 123.376 0.300 . 1 . . . . 74 THR N . 10263 1 843 . 1 1 75 75 TYR H H 1 9.549 0.030 . 1 . . . . 75 TYR H . 10263 1 844 . 1 1 75 75 TYR HA H 1 4.892 0.030 . 1 . . . . 75 TYR HA . 10263 1 845 . 1 1 75 75 TYR HB2 H 1 2.738 0.030 . 2 . . . . 75 TYR HB2 . 10263 1 846 . 1 1 75 75 TYR HB3 H 1 2.496 0.030 . 2 . . . . 75 TYR HB3 . 10263 1 847 . 1 1 75 75 TYR HD1 H 1 6.848 0.030 . 1 . . . . 75 TYR HD1 . 10263 1 848 . 1 1 75 75 TYR HD2 H 1 6.848 0.030 . 1 . . . . 75 TYR HD2 . 10263 1 849 . 1 1 75 75 TYR HE1 H 1 6.947 0.030 . 1 . . . . 75 TYR HE1 . 10263 1 850 . 1 1 75 75 TYR HE2 H 1 6.947 0.030 . 1 . . . . 75 TYR HE2 . 10263 1 851 . 1 1 75 75 TYR C C 13 173.991 0.300 . 1 . . . . 75 TYR C . 10263 1 852 . 1 1 75 75 TYR CA C 13 57.740 0.300 . 1 . . . . 75 TYR CA . 10263 1 853 . 1 1 75 75 TYR CB C 13 44.580 0.300 . 1 . . . . 75 TYR CB . 10263 1 854 . 1 1 75 75 TYR CD1 C 13 132.438 0.300 . 1 . . . . 75 TYR CD1 . 10263 1 855 . 1 1 75 75 TYR CD2 C 13 132.438 0.300 . 1 . . . . 75 TYR CD2 . 10263 1 856 . 1 1 75 75 TYR CE1 C 13 118.649 0.300 . 1 . . . . 75 TYR CE1 . 10263 1 857 . 1 1 75 75 TYR CE2 C 13 118.649 0.300 . 1 . . . . 75 TYR CE2 . 10263 1 858 . 1 1 75 75 TYR N N 15 126.916 0.300 . 1 . . . . 75 TYR N . 10263 1 859 . 1 1 76 76 ILE H H 1 8.769 0.030 . 1 . . . . 76 ILE H . 10263 1 860 . 1 1 76 76 ILE HA H 1 4.663 0.030 . 1 . . . . 76 ILE HA . 10263 1 861 . 1 1 76 76 ILE HB H 1 1.682 0.030 . 1 . . . . 76 ILE HB . 10263 1 862 . 1 1 76 76 ILE HD11 H 1 0.787 0.030 . 1 . . . . 76 ILE HD1 . 10263 1 863 . 1 1 76 76 ILE HD12 H 1 0.787 0.030 . 1 . . . . 76 ILE HD1 . 10263 1 864 . 1 1 76 76 ILE HD13 H 1 0.787 0.030 . 1 . . . . 76 ILE HD1 . 10263 1 865 . 1 1 76 76 ILE HG12 H 1 1.362 0.030 . 2 . . . . 76 ILE HG12 . 10263 1 866 . 1 1 76 76 ILE HG13 H 1 1.090 0.030 . 2 . . . . 76 ILE HG13 . 10263 1 867 . 1 1 76 76 ILE HG21 H 1 0.770 0.030 . 1 . . . . 76 ILE HG2 . 10263 1 868 . 1 1 76 76 ILE HG22 H 1 0.770 0.030 . 1 . . . . 76 ILE HG2 . 10263 1 869 . 1 1 76 76 ILE HG23 H 1 0.770 0.030 . 1 . . . . 76 ILE HG2 . 10263 1 870 . 1 1 76 76 ILE C C 13 174.683 0.300 . 1 . . . . 76 ILE C . 10263 1 871 . 1 1 76 76 ILE CA C 13 60.455 0.300 . 1 . . . . 76 ILE CA . 10263 1 872 . 1 1 76 76 ILE CB C 13 40.284 0.300 . 1 . . . . 76 ILE CB . 10263 1 873 . 1 1 76 76 ILE CD1 C 13 13.778 0.300 . 1 . . . . 76 ILE CD1 . 10263 1 874 . 1 1 76 76 ILE CG1 C 13 28.375 0.300 . 1 . . . . 76 ILE CG1 . 10263 1 875 . 1 1 76 76 ILE CG2 C 13 18.238 0.300 . 1 . . . . 76 ILE CG2 . 10263 1 876 . 1 1 76 76 ILE N N 15 119.407 0.300 . 1 . . . . 76 ILE N . 10263 1 877 . 1 1 77 77 PHE H H 1 8.894 0.030 . 1 . . . . 77 PHE H . 10263 1 878 . 1 1 77 77 PHE HA H 1 5.160 0.030 . 1 . . . . 77 PHE HA . 10263 1 879 . 1 1 77 77 PHE HB2 H 1 3.079 0.030 . 2 . . . . 77 PHE HB2 . 10263 1 880 . 1 1 77 77 PHE HB3 H 1 2.697 0.030 . 2 . . . . 77 PHE HB3 . 10263 1 881 . 1 1 77 77 PHE HD1 H 1 7.143 0.030 . 1 . . . . 77 PHE HD1 . 10263 1 882 . 1 1 77 77 PHE HD2 H 1 7.143 0.030 . 1 . . . . 77 PHE HD2 . 10263 1 883 . 1 1 77 77 PHE HE1 H 1 6.769 0.030 . 1 . . . . 77 PHE HE1 . 10263 1 884 . 1 1 77 77 PHE HE2 H 1 6.769 0.030 . 1 . . . . 77 PHE HE2 . 10263 1 885 . 1 1 77 77 PHE HZ H 1 6.446 0.030 . 1 . . . . 77 PHE HZ . 10263 1 886 . 1 1 77 77 PHE C C 13 174.794 0.300 . 1 . . . . 77 PHE C . 10263 1 887 . 1 1 77 77 PHE CA C 13 56.831 0.300 . 1 . . . . 77 PHE CA . 10263 1 888 . 1 1 77 77 PHE CB C 13 43.132 0.300 . 1 . . . . 77 PHE CB . 10263 1 889 . 1 1 77 77 PHE CD1 C 13 132.264 0.300 . 1 . . . . 77 PHE CD1 . 10263 1 890 . 1 1 77 77 PHE CD2 C 13 132.264 0.300 . 1 . . . . 77 PHE CD2 . 10263 1 891 . 1 1 77 77 PHE CE1 C 13 130.612 0.300 . 1 . . . . 77 PHE CE1 . 10263 1 892 . 1 1 77 77 PHE CE2 C 13 130.612 0.300 . 1 . . . . 77 PHE CE2 . 10263 1 893 . 1 1 77 77 PHE CZ C 13 127.504 0.300 . 1 . . . . 77 PHE CZ . 10263 1 894 . 1 1 77 77 PHE N N 15 124.622 0.300 . 1 . . . . 77 PHE N . 10263 1 895 . 1 1 78 78 ARG H H 1 9.407 0.030 . 1 . . . . 78 ARG H . 10263 1 896 . 1 1 78 78 ARG HA H 1 5.689 0.030 . 1 . . . . 78 ARG HA . 10263 1 897 . 1 1 78 78 ARG HB2 H 1 1.716 0.030 . 1 . . . . 78 ARG HB2 . 10263 1 898 . 1 1 78 78 ARG HB3 H 1 1.716 0.030 . 1 . . . . 78 ARG HB3 . 10263 1 899 . 1 1 78 78 ARG HD2 H 1 3.079 0.030 . 1 . . . . 78 ARG HD2 . 10263 1 900 . 1 1 78 78 ARG HD3 H 1 3.079 0.030 . 1 . . . . 78 ARG HD3 . 10263 1 901 . 1 1 78 78 ARG HE H 1 7.526 0.030 . 1 . . . . 78 ARG HE . 10263 1 902 . 1 1 78 78 ARG HG2 H 1 1.493 0.030 . 1 . . . . 78 ARG HG2 . 10263 1 903 . 1 1 78 78 ARG HG3 H 1 1.493 0.030 . 1 . . . . 78 ARG HG3 . 10263 1 904 . 1 1 78 78 ARG C C 13 174.376 0.300 . 1 . . . . 78 ARG C . 10263 1 905 . 1 1 78 78 ARG CA C 13 54.530 0.300 . 1 . . . . 78 ARG CA . 10263 1 906 . 1 1 78 78 ARG CB C 13 34.473 0.300 . 1 . . . . 78 ARG CB . 10263 1 907 . 1 1 78 78 ARG CD C 13 43.509 0.300 . 1 . . . . 78 ARG CD . 10263 1 908 . 1 1 78 78 ARG CG C 13 28.658 0.300 . 1 . . . . 78 ARG CG . 10263 1 909 . 1 1 78 78 ARG N N 15 120.055 0.300 . 1 . . . . 78 ARG N . 10263 1 910 . 1 1 78 78 ARG NE N 15 85.827 0.300 . 1 . . . . 78 ARG NE . 10263 1 911 . 1 1 79 79 LEU H H 1 9.132 0.030 . 1 . . . . 79 LEU H . 10263 1 912 . 1 1 79 79 LEU HA H 1 5.398 0.030 . 1 . . . . 79 LEU HA . 10263 1 913 . 1 1 79 79 LEU HB2 H 1 1.604 0.030 . 2 . . . . 79 LEU HB2 . 10263 1 914 . 1 1 79 79 LEU HB3 H 1 1.208 0.030 . 2 . . . . 79 LEU HB3 . 10263 1 915 . 1 1 79 79 LEU HD11 H 1 -0.073 0.030 . 1 . . . . 79 LEU HD1 . 10263 1 916 . 1 1 79 79 LEU HD12 H 1 -0.073 0.030 . 1 . . . . 79 LEU HD1 . 10263 1 917 . 1 1 79 79 LEU HD13 H 1 -0.073 0.030 . 1 . . . . 79 LEU HD1 . 10263 1 918 . 1 1 79 79 LEU HD21 H 1 -0.109 0.030 . 1 . . . . 79 LEU HD2 . 10263 1 919 . 1 1 79 79 LEU HD22 H 1 -0.109 0.030 . 1 . . . . 79 LEU HD2 . 10263 1 920 . 1 1 79 79 LEU HD23 H 1 -0.109 0.030 . 1 . . . . 79 LEU HD2 . 10263 1 921 . 1 1 79 79 LEU HG H 1 0.967 0.030 . 1 . . . . 79 LEU HG . 10263 1 922 . 1 1 79 79 LEU C C 13 174.006 0.300 . 1 . . . . 79 LEU C . 10263 1 923 . 1 1 79 79 LEU CA C 13 53.401 0.300 . 1 . . . . 79 LEU CA . 10263 1 924 . 1 1 79 79 LEU CB C 13 48.116 0.300 . 1 . . . . 79 LEU CB . 10263 1 925 . 1 1 79 79 LEU CD1 C 13 22.366 0.300 . 2 . . . . 79 LEU CD1 . 10263 1 926 . 1 1 79 79 LEU CD2 C 13 26.566 0.300 . 2 . . . . 79 LEU CD2 . 10263 1 927 . 1 1 79 79 LEU CG C 13 27.328 0.300 . 1 . . . . 79 LEU CG . 10263 1 928 . 1 1 79 79 LEU N N 15 124.907 0.300 . 1 . . . . 79 LEU N . 10263 1 929 . 1 1 80 80 ALA H H 1 8.737 0.030 . 1 . . . . 80 ALA H . 10263 1 930 . 1 1 80 80 ALA HA H 1 4.871 0.030 . 1 . . . . 80 ALA HA . 10263 1 931 . 1 1 80 80 ALA HB1 H 1 1.341 0.030 . 1 . . . . 80 ALA HB . 10263 1 932 . 1 1 80 80 ALA HB2 H 1 1.341 0.030 . 1 . . . . 80 ALA HB . 10263 1 933 . 1 1 80 80 ALA HB3 H 1 1.341 0.030 . 1 . . . . 80 ALA HB . 10263 1 934 . 1 1 80 80 ALA C C 13 176.057 0.300 . 1 . . . . 80 ALA C . 10263 1 935 . 1 1 80 80 ALA CA C 13 50.353 0.300 . 1 . . . . 80 ALA CA . 10263 1 936 . 1 1 80 80 ALA CB C 13 23.972 0.300 . 1 . . . . 80 ALA CB . 10263 1 937 . 1 1 80 80 ALA N N 15 128.220 0.300 . 1 . . . . 80 ALA N . 10263 1 938 . 1 1 81 81 ALA H H 1 9.890 0.030 . 1 . . . . 81 ALA H . 10263 1 939 . 1 1 81 81 ALA HA H 1 4.794 0.030 . 1 . . . . 81 ALA HA . 10263 1 940 . 1 1 81 81 ALA HB1 H 1 1.198 0.030 . 1 . . . . 81 ALA HB . 10263 1 941 . 1 1 81 81 ALA HB2 H 1 1.198 0.030 . 1 . . . . 81 ALA HB . 10263 1 942 . 1 1 81 81 ALA HB3 H 1 1.198 0.030 . 1 . . . . 81 ALA HB . 10263 1 943 . 1 1 81 81 ALA C C 13 174.655 0.300 . 1 . . . . 81 ALA C . 10263 1 944 . 1 1 81 81 ALA CA C 13 50.300 0.300 . 1 . . . . 81 ALA CA . 10263 1 945 . 1 1 81 81 ALA CB C 13 21.369 0.300 . 1 . . . . 81 ALA CB . 10263 1 946 . 1 1 81 81 ALA N N 15 123.682 0.300 . 1 . . . . 81 ALA N . 10263 1 947 . 1 1 82 82 LYS H H 1 7.965 0.030 . 1 . . . . 82 LYS H . 10263 1 948 . 1 1 82 82 LYS HA H 1 4.974 0.030 . 1 . . . . 82 LYS HA . 10263 1 949 . 1 1 82 82 LYS HB2 H 1 1.477 0.030 . 2 . . . . 82 LYS HB2 . 10263 1 950 . 1 1 82 82 LYS HB3 H 1 1.165 0.030 . 2 . . . . 82 LYS HB3 . 10263 1 951 . 1 1 82 82 LYS HD2 H 1 1.411 0.030 . 2 . . . . 82 LYS HD2 . 10263 1 952 . 1 1 82 82 LYS HD3 H 1 1.350 0.030 . 2 . . . . 82 LYS HD3 . 10263 1 953 . 1 1 82 82 LYS HE2 H 1 2.665 0.030 . 2 . . . . 82 LYS HE2 . 10263 1 954 . 1 1 82 82 LYS HE3 H 1 2.560 0.030 . 2 . . . . 82 LYS HE3 . 10263 1 955 . 1 1 82 82 LYS HG2 H 1 1.164 0.030 . 2 . . . . 82 LYS HG2 . 10263 1 956 . 1 1 82 82 LYS HG3 H 1 0.955 0.030 . 2 . . . . 82 LYS HG3 . 10263 1 957 . 1 1 82 82 LYS C C 13 175.671 0.300 . 1 . . . . 82 LYS C . 10263 1 958 . 1 1 82 82 LYS CA C 13 54.664 0.300 . 1 . . . . 82 LYS CA . 10263 1 959 . 1 1 82 82 LYS CB C 13 36.677 0.300 . 1 . . . . 82 LYS CB . 10263 1 960 . 1 1 82 82 LYS CD C 13 29.941 0.300 . 1 . . . . 82 LYS CD . 10263 1 961 . 1 1 82 82 LYS CE C 13 41.875 0.300 . 1 . . . . 82 LYS CE . 10263 1 962 . 1 1 82 82 LYS CG C 13 25.243 0.300 . 1 . . . . 82 LYS CG . 10263 1 963 . 1 1 82 82 LYS N N 15 118.164 0.300 . 1 . . . . 82 LYS N . 10263 1 964 . 1 1 83 83 ASN H H 1 8.663 0.030 . 1 . . . . 83 ASN H . 10263 1 965 . 1 1 83 83 ASN HA H 1 5.113 0.030 . 1 . . . . 83 ASN HA . 10263 1 966 . 1 1 83 83 ASN HB2 H 1 3.666 0.030 . 2 . . . . 83 ASN HB2 . 10263 1 967 . 1 1 83 83 ASN HB3 H 1 2.618 0.030 . 2 . . . . 83 ASN HB3 . 10263 1 968 . 1 1 83 83 ASN HD21 H 1 7.822 0.030 . 2 . . . . 83 ASN HD21 . 10263 1 969 . 1 1 83 83 ASN HD22 H 1 7.272 0.030 . 2 . . . . 83 ASN HD22 . 10263 1 970 . 1 1 83 83 ASN C C 13 176.582 0.300 . 1 . . . . 83 ASN C . 10263 1 971 . 1 1 83 83 ASN CA C 13 51.746 0.300 . 1 . . . . 83 ASN CA . 10263 1 972 . 1 1 83 83 ASN CB C 13 40.357 0.300 . 1 . . . . 83 ASN CB . 10263 1 973 . 1 1 83 83 ASN N N 15 124.784 0.300 . 1 . . . . 83 ASN N . 10263 1 974 . 1 1 83 83 ASN ND2 N 15 108.924 0.300 . 1 . . . . 83 ASN ND2 . 10263 1 975 . 1 1 84 84 ARG H H 1 8.873 0.030 . 1 . . . . 84 ARG H . 10263 1 976 . 1 1 84 84 ARG HA H 1 3.940 0.030 . 1 . . . . 84 ARG HA . 10263 1 977 . 1 1 84 84 ARG HB2 H 1 1.860 0.030 . 1 . . . . 84 ARG HB2 . 10263 1 978 . 1 1 84 84 ARG HB3 H 1 1.860 0.030 . 1 . . . . 84 ARG HB3 . 10263 1 979 . 1 1 84 84 ARG HD2 H 1 3.197 0.030 . 1 . . . . 84 ARG HD2 . 10263 1 980 . 1 1 84 84 ARG HD3 H 1 3.197 0.030 . 1 . . . . 84 ARG HD3 . 10263 1 981 . 1 1 84 84 ARG HG2 H 1 1.754 0.030 . 2 . . . . 84 ARG HG2 . 10263 1 982 . 1 1 84 84 ARG HG3 H 1 1.653 0.030 . 2 . . . . 84 ARG HG3 . 10263 1 983 . 1 1 84 84 ARG C C 13 176.735 0.300 . 1 . . . . 84 ARG C . 10263 1 984 . 1 1 84 84 ARG CA C 13 59.327 0.300 . 1 . . . . 84 ARG CA . 10263 1 985 . 1 1 84 84 ARG CB C 13 29.282 0.300 . 1 . . . . 84 ARG CB . 10263 1 986 . 1 1 84 84 ARG CD C 13 43.146 0.300 . 1 . . . . 84 ARG CD . 10263 1 987 . 1 1 84 84 ARG CG C 13 27.891 0.300 . 1 . . . . 84 ARG CG . 10263 1 988 . 1 1 84 84 ARG N N 15 117.891 0.300 . 1 . . . . 84 ARG N . 10263 1 989 . 1 1 85 85 ALA H H 1 7.645 0.030 . 1 . . . . 85 ALA H . 10263 1 990 . 1 1 85 85 ALA HA H 1 4.276 0.030 . 1 . . . . 85 ALA HA . 10263 1 991 . 1 1 85 85 ALA HB1 H 1 1.291 0.030 . 1 . . . . 85 ALA HB . 10263 1 992 . 1 1 85 85 ALA HB2 H 1 1.291 0.030 . 1 . . . . 85 ALA HB . 10263 1 993 . 1 1 85 85 ALA HB3 H 1 1.291 0.030 . 1 . . . . 85 ALA HB . 10263 1 994 . 1 1 85 85 ALA C C 13 177.479 0.300 . 1 . . . . 85 ALA C . 10263 1 995 . 1 1 85 85 ALA CA C 13 52.818 0.300 . 1 . . . . 85 ALA CA . 10263 1 996 . 1 1 85 85 ALA CB C 13 18.806 0.300 . 1 . . . . 85 ALA CB . 10263 1 997 . 1 1 85 85 ALA N N 15 120.306 0.300 . 1 . . . . 85 ALA N . 10263 1 998 . 1 1 86 86 GLY H H 1 7.693 0.030 . 1 . . . . 86 GLY H . 10263 1 999 . 1 1 86 86 GLY HA2 H 1 4.456 0.030 . 2 . . . . 86 GLY HA2 . 10263 1 1000 . 1 1 86 86 GLY HA3 H 1 3.649 0.030 . 2 . . . . 86 GLY HA3 . 10263 1 1001 . 1 1 86 86 GLY C C 13 172.068 0.300 . 1 . . . . 86 GLY C . 10263 1 1002 . 1 1 86 86 GLY CA C 13 44.375 0.300 . 1 . . . . 86 GLY CA . 10263 1 1003 . 1 1 86 86 GLY N N 15 106.594 0.300 . 1 . . . . 86 GLY N . 10263 1 1004 . 1 1 87 87 LEU H H 1 8.203 0.030 . 1 . . . . 87 LEU H . 10263 1 1005 . 1 1 87 87 LEU HA H 1 4.629 0.030 . 1 . . . . 87 LEU HA . 10263 1 1006 . 1 1 87 87 LEU HB2 H 1 1.615 0.030 . 2 . . . . 87 LEU HB2 . 10263 1 1007 . 1 1 87 87 LEU HB3 H 1 1.495 0.030 . 2 . . . . 87 LEU HB3 . 10263 1 1008 . 1 1 87 87 LEU HD11 H 1 0.808 0.030 . 1 . . . . 87 LEU HD1 . 10263 1 1009 . 1 1 87 87 LEU HD12 H 1 0.808 0.030 . 1 . . . . 87 LEU HD1 . 10263 1 1010 . 1 1 87 87 LEU HD13 H 1 0.808 0.030 . 1 . . . . 87 LEU HD1 . 10263 1 1011 . 1 1 87 87 LEU HD21 H 1 0.705 0.030 . 1 . . . . 87 LEU HD2 . 10263 1 1012 . 1 1 87 87 LEU HD22 H 1 0.705 0.030 . 1 . . . . 87 LEU HD2 . 10263 1 1013 . 1 1 87 87 LEU HD23 H 1 0.705 0.030 . 1 . . . . 87 LEU HD2 . 10263 1 1014 . 1 1 87 87 LEU HG H 1 1.627 0.030 . 1 . . . . 87 LEU HG . 10263 1 1015 . 1 1 87 87 LEU C C 13 179.155 0.300 . 1 . . . . 87 LEU C . 10263 1 1016 . 1 1 87 87 LEU CA C 13 54.814 0.300 . 1 . . . . 87 LEU CA . 10263 1 1017 . 1 1 87 87 LEU CB C 13 43.454 0.300 . 1 . . . . 87 LEU CB . 10263 1 1018 . 1 1 87 87 LEU CD1 C 13 25.486 0.300 . 2 . . . . 87 LEU CD1 . 10263 1 1019 . 1 1 87 87 LEU CD2 C 13 24.716 0.300 . 2 . . . . 87 LEU CD2 . 10263 1 1020 . 1 1 87 87 LEU CG C 13 27.551 0.300 . 1 . . . . 87 LEU CG . 10263 1 1021 . 1 1 87 87 LEU N N 15 120.879 0.300 . 1 . . . . 87 LEU N . 10263 1 1022 . 1 1 88 88 GLY H H 1 8.492 0.030 . 1 . . . . 88 GLY H . 10263 1 1023 . 1 1 88 88 GLY HA2 H 1 4.339 0.030 . 2 . . . . 88 GLY HA2 . 10263 1 1024 . 1 1 88 88 GLY HA3 H 1 4.122 0.030 . 2 . . . . 88 GLY HA3 . 10263 1 1025 . 1 1 88 88 GLY C C 13 173.030 0.300 . 1 . . . . 88 GLY C . 10263 1 1026 . 1 1 88 88 GLY CA C 13 43.970 0.300 . 1 . . . . 88 GLY CA . 10263 1 1027 . 1 1 88 88 GLY N N 15 109.903 0.300 . 1 . . . . 88 GLY N . 10263 1 1028 . 1 1 89 89 GLU H H 1 7.638 0.030 . 1 . . . . 89 GLU H . 10263 1 1029 . 1 1 89 89 GLU HA H 1 4.103 0.030 . 1 . . . . 89 GLU HA . 10263 1 1030 . 1 1 89 89 GLU HB2 H 1 1.946 0.030 . 2 . . . . 89 GLU HB2 . 10263 1 1031 . 1 1 89 89 GLU HB3 H 1 1.842 0.030 . 2 . . . . 89 GLU HB3 . 10263 1 1032 . 1 1 89 89 GLU HG2 H 1 2.453 0.030 . 2 . . . . 89 GLU HG2 . 10263 1 1033 . 1 1 89 89 GLU HG3 H 1 2.325 0.030 . 2 . . . . 89 GLU HG3 . 10263 1 1034 . 1 1 89 89 GLU C C 13 177.511 0.300 . 1 . . . . 89 GLU C . 10263 1 1035 . 1 1 89 89 GLU CA C 13 56.659 0.300 . 1 . . . . 89 GLU CA . 10263 1 1036 . 1 1 89 89 GLU CB C 13 31.324 0.300 . 1 . . . . 89 GLU CB . 10263 1 1037 . 1 1 89 89 GLU CG C 13 36.711 0.300 . 1 . . . . 89 GLU CG . 10263 1 1038 . 1 1 89 89 GLU N N 15 117.551 0.300 . 1 . . . . 89 GLU N . 10263 1 1039 . 1 1 90 90 GLU H H 1 8.734 0.030 . 1 . . . . 90 GLU H . 10263 1 1040 . 1 1 90 90 GLU HA H 1 4.651 0.030 . 1 . . . . 90 GLU HA . 10263 1 1041 . 1 1 90 90 GLU HB2 H 1 1.915 0.030 . 2 . . . . 90 GLU HB2 . 10263 1 1042 . 1 1 90 90 GLU HB3 H 1 1.770 0.030 . 2 . . . . 90 GLU HB3 . 10263 1 1043 . 1 1 90 90 GLU HG2 H 1 2.280 0.030 . 2 . . . . 90 GLU HG2 . 10263 1 1044 . 1 1 90 90 GLU HG3 H 1 2.092 0.030 . 2 . . . . 90 GLU HG3 . 10263 1 1045 . 1 1 90 90 GLU C C 13 177.452 0.300 . 1 . . . . 90 GLU C . 10263 1 1046 . 1 1 90 90 GLU CA C 13 55.987 0.300 . 1 . . . . 90 GLU CA . 10263 1 1047 . 1 1 90 90 GLU CB C 13 31.135 0.300 . 1 . . . . 90 GLU CB . 10263 1 1048 . 1 1 90 90 GLU CG C 13 37.470 0.300 . 1 . . . . 90 GLU CG . 10263 1 1049 . 1 1 90 90 GLU N N 15 121.553 0.300 . 1 . . . . 90 GLU N . 10263 1 1050 . 1 1 91 91 PHE H H 1 9.411 0.030 . 1 . . . . 91 PHE H . 10263 1 1051 . 1 1 91 91 PHE HA H 1 4.665 0.030 . 1 . . . . 91 PHE HA . 10263 1 1052 . 1 1 91 91 PHE HB2 H 1 3.221 0.030 . 2 . . . . 91 PHE HB2 . 10263 1 1053 . 1 1 91 91 PHE HB3 H 1 3.049 0.030 . 2 . . . . 91 PHE HB3 . 10263 1 1054 . 1 1 91 91 PHE HD1 H 1 7.266 0.030 . 1 . . . . 91 PHE HD1 . 10263 1 1055 . 1 1 91 91 PHE HD2 H 1 7.266 0.030 . 1 . . . . 91 PHE HD2 . 10263 1 1056 . 1 1 91 91 PHE HE1 H 1 7.459 0.030 . 1 . . . . 91 PHE HE1 . 10263 1 1057 . 1 1 91 91 PHE HE2 H 1 7.459 0.030 . 1 . . . . 91 PHE HE2 . 10263 1 1058 . 1 1 91 91 PHE HZ H 1 7.540 0.030 . 1 . . . . 91 PHE HZ . 10263 1 1059 . 1 1 91 91 PHE C C 13 173.944 0.300 . 1 . . . . 91 PHE C . 10263 1 1060 . 1 1 91 91 PHE CA C 13 57.687 0.300 . 1 . . . . 91 PHE CA . 10263 1 1061 . 1 1 91 91 PHE CB C 13 40.890 0.300 . 1 . . . . 91 PHE CB . 10263 1 1062 . 1 1 91 91 PHE CD1 C 13 132.291 0.300 . 1 . . . . 91 PHE CD1 . 10263 1 1063 . 1 1 91 91 PHE CD2 C 13 132.291 0.300 . 1 . . . . 91 PHE CD2 . 10263 1 1064 . 1 1 91 91 PHE CE1 C 13 131.523 0.300 . 1 . . . . 91 PHE CE1 . 10263 1 1065 . 1 1 91 91 PHE CE2 C 13 131.523 0.300 . 1 . . . . 91 PHE CE2 . 10263 1 1066 . 1 1 91 91 PHE CZ C 13 130.607 0.300 . 1 . . . . 91 PHE CZ . 10263 1 1067 . 1 1 91 91 PHE N N 15 125.459 0.300 . 1 . . . . 91 PHE N . 10263 1 1068 . 1 1 92 92 GLU H H 1 8.043 0.030 . 1 . . . . 92 GLU H . 10263 1 1069 . 1 1 92 92 GLU HA H 1 5.424 0.030 . 1 . . . . 92 GLU HA . 10263 1 1070 . 1 1 92 92 GLU HB2 H 1 1.816 0.030 . 1 . . . . 92 GLU HB2 . 10263 1 1071 . 1 1 92 92 GLU HB3 H 1 1.816 0.030 . 1 . . . . 92 GLU HB3 . 10263 1 1072 . 1 1 92 92 GLU HG2 H 1 2.006 0.030 . 2 . . . . 92 GLU HG2 . 10263 1 1073 . 1 1 92 92 GLU HG3 H 1 1.882 0.030 . 2 . . . . 92 GLU HG3 . 10263 1 1074 . 1 1 92 92 GLU C C 13 174.295 0.300 . 1 . . . . 92 GLU C . 10263 1 1075 . 1 1 92 92 GLU CA C 13 54.378 0.300 . 1 . . . . 92 GLU CA . 10263 1 1076 . 1 1 92 92 GLU CB C 13 33.662 0.300 . 1 . . . . 92 GLU CB . 10263 1 1077 . 1 1 92 92 GLU CG C 13 37.354 0.300 . 1 . . . . 92 GLU CG . 10263 1 1078 . 1 1 92 92 GLU N N 15 128.905 0.300 . 1 . . . . 92 GLU N . 10263 1 1079 . 1 1 93 93 LYS H H 1 9.142 0.030 . 1 . . . . 93 LYS H . 10263 1 1080 . 1 1 93 93 LYS HA H 1 4.541 0.030 . 1 . . . . 93 LYS HA . 10263 1 1081 . 1 1 93 93 LYS HB2 H 1 1.759 0.030 . 1 . . . . 93 LYS HB2 . 10263 1 1082 . 1 1 93 93 LYS HB3 H 1 1.759 0.030 . 1 . . . . 93 LYS HB3 . 10263 1 1083 . 1 1 93 93 LYS HD2 H 1 1.978 0.030 . 2 . . . . 93 LYS HD2 . 10263 1 1084 . 1 1 93 93 LYS HD3 H 1 1.828 0.030 . 2 . . . . 93 LYS HD3 . 10263 1 1085 . 1 1 93 93 LYS HE2 H 1 3.225 0.030 . 2 . . . . 93 LYS HE2 . 10263 1 1086 . 1 1 93 93 LYS HE3 H 1 3.143 0.030 . 2 . . . . 93 LYS HE3 . 10263 1 1087 . 1 1 93 93 LYS HG2 H 1 1.477 0.030 . 1 . . . . 93 LYS HG2 . 10263 1 1088 . 1 1 93 93 LYS HG3 H 1 1.477 0.030 . 1 . . . . 93 LYS HG3 . 10263 1 1089 . 1 1 93 93 LYS C C 13 173.366 0.300 . 1 . . . . 93 LYS C . 10263 1 1090 . 1 1 93 93 LYS CA C 13 55.343 0.300 . 1 . . . . 93 LYS CA . 10263 1 1091 . 1 1 93 93 LYS CB C 13 37.317 0.300 . 1 . . . . 93 LYS CB . 10263 1 1092 . 1 1 93 93 LYS CD C 13 28.955 0.300 . 1 . . . . 93 LYS CD . 10263 1 1093 . 1 1 93 93 LYS CE C 13 42.379 0.300 . 1 . . . . 93 LYS CE . 10263 1 1094 . 1 1 93 93 LYS CG C 13 25.164 0.300 . 1 . . . . 93 LYS CG . 10263 1 1095 . 1 1 93 93 LYS N N 15 125.231 0.300 . 1 . . . . 93 LYS N . 10263 1 1096 . 1 1 94 94 GLU H H 1 8.655 0.030 . 1 . . . . 94 GLU H . 10263 1 1097 . 1 1 94 94 GLU HA H 1 5.558 0.030 . 1 . . . . 94 GLU HA . 10263 1 1098 . 1 1 94 94 GLU HB2 H 1 1.956 0.030 . 1 . . . . 94 GLU HB2 . 10263 1 1099 . 1 1 94 94 GLU HB3 H 1 1.956 0.030 . 1 . . . . 94 GLU HB3 . 10263 1 1100 . 1 1 94 94 GLU HG2 H 1 2.186 0.030 . 2 . . . . 94 GLU HG2 . 10263 1 1101 . 1 1 94 94 GLU HG3 H 1 2.049 0.030 . 2 . . . . 94 GLU HG3 . 10263 1 1102 . 1 1 94 94 GLU C C 13 176.238 0.300 . 1 . . . . 94 GLU C . 10263 1 1103 . 1 1 94 94 GLU CA C 13 54.632 0.300 . 1 . . . . 94 GLU CA . 10263 1 1104 . 1 1 94 94 GLU CB C 13 32.166 0.300 . 1 . . . . 94 GLU CB . 10263 1 1105 . 1 1 94 94 GLU CG C 13 37.100 0.300 . 1 . . . . 94 GLU CG . 10263 1 1106 . 1 1 94 94 GLU N N 15 127.232 0.300 . 1 . . . . 94 GLU N . 10263 1 1107 . 1 1 95 95 ILE H H 1 9.302 0.030 . 1 . . . . 95 ILE H . 10263 1 1108 . 1 1 95 95 ILE HA H 1 4.794 0.030 . 1 . . . . 95 ILE HA . 10263 1 1109 . 1 1 95 95 ILE HB H 1 1.967 0.030 . 1 . . . . 95 ILE HB . 10263 1 1110 . 1 1 95 95 ILE HD11 H 1 0.791 0.030 . 1 . . . . 95 ILE HD1 . 10263 1 1111 . 1 1 95 95 ILE HD12 H 1 0.791 0.030 . 1 . . . . 95 ILE HD1 . 10263 1 1112 . 1 1 95 95 ILE HD13 H 1 0.791 0.030 . 1 . . . . 95 ILE HD1 . 10263 1 1113 . 1 1 95 95 ILE HG12 H 1 1.561 0.030 . 2 . . . . 95 ILE HG12 . 10263 1 1114 . 1 1 95 95 ILE HG13 H 1 1.206 0.030 . 2 . . . . 95 ILE HG13 . 10263 1 1115 . 1 1 95 95 ILE HG21 H 1 0.880 0.030 . 1 . . . . 95 ILE HG2 . 10263 1 1116 . 1 1 95 95 ILE HG22 H 1 0.880 0.030 . 1 . . . . 95 ILE HG2 . 10263 1 1117 . 1 1 95 95 ILE HG23 H 1 0.880 0.030 . 1 . . . . 95 ILE HG2 . 10263 1 1118 . 1 1 95 95 ILE C C 13 173.138 0.300 . 1 . . . . 95 ILE C . 10263 1 1119 . 1 1 95 95 ILE CA C 13 58.570 0.300 . 1 . . . . 95 ILE CA . 10263 1 1120 . 1 1 95 95 ILE CB C 13 42.420 0.300 . 1 . . . . 95 ILE CB . 10263 1 1121 . 1 1 95 95 ILE CD1 C 13 13.839 0.300 . 1 . . . . 95 ILE CD1 . 10263 1 1122 . 1 1 95 95 ILE CG1 C 13 27.356 0.300 . 1 . . . . 95 ILE CG1 . 10263 1 1123 . 1 1 95 95 ILE CG2 C 13 18.754 0.300 . 1 . . . . 95 ILE CG2 . 10263 1 1124 . 1 1 95 95 ILE N N 15 120.711 0.300 . 1 . . . . 95 ILE N . 10263 1 1125 . 1 1 96 96 ARG H H 1 8.589 0.030 . 1 . . . . 96 ARG H . 10263 1 1126 . 1 1 96 96 ARG HA H 1 5.373 0.030 . 1 . . . . 96 ARG HA . 10263 1 1127 . 1 1 96 96 ARG HB2 H 1 1.797 0.030 . 2 . . . . 96 ARG HB2 . 10263 1 1128 . 1 1 96 96 ARG HB3 H 1 1.625 0.030 . 2 . . . . 96 ARG HB3 . 10263 1 1129 . 1 1 96 96 ARG HD2 H 1 3.067 0.030 . 1 . . . . 96 ARG HD2 . 10263 1 1130 . 1 1 96 96 ARG HD3 H 1 3.067 0.030 . 1 . . . . 96 ARG HD3 . 10263 1 1131 . 1 1 96 96 ARG HG2 H 1 1.669 0.030 . 2 . . . . 96 ARG HG2 . 10263 1 1132 . 1 1 96 96 ARG HG3 H 1 1.440 0.030 . 2 . . . . 96 ARG HG3 . 10263 1 1133 . 1 1 96 96 ARG C C 13 177.147 0.300 . 1 . . . . 96 ARG C . 10263 1 1134 . 1 1 96 96 ARG CA C 13 54.045 0.300 . 1 . . . . 96 ARG CA . 10263 1 1135 . 1 1 96 96 ARG CB C 13 32.001 0.300 . 1 . . . . 96 ARG CB . 10263 1 1136 . 1 1 96 96 ARG CD C 13 43.598 0.300 . 1 . . . . 96 ARG CD . 10263 1 1137 . 1 1 96 96 ARG CG C 13 27.457 0.300 . 1 . . . . 96 ARG CG . 10263 1 1138 . 1 1 96 96 ARG N N 15 124.445 0.300 . 1 . . . . 96 ARG N . 10263 1 1139 . 1 1 97 97 THR H H 1 9.243 0.030 . 1 . . . . 97 THR H . 10263 1 1140 . 1 1 97 97 THR HA H 1 4.459 0.030 . 1 . . . . 97 THR HA . 10263 1 1141 . 1 1 97 97 THR HB H 1 4.738 0.030 . 1 . . . . 97 THR HB . 10263 1 1142 . 1 1 97 97 THR HG21 H 1 1.337 0.030 . 1 . . . . 97 THR HG2 . 10263 1 1143 . 1 1 97 97 THR HG22 H 1 1.337 0.030 . 1 . . . . 97 THR HG2 . 10263 1 1144 . 1 1 97 97 THR HG23 H 1 1.337 0.030 . 1 . . . . 97 THR HG2 . 10263 1 1145 . 1 1 97 97 THR C C 13 172.745 0.300 . 1 . . . . 97 THR C . 10263 1 1146 . 1 1 97 97 THR CA C 13 59.637 0.300 . 1 . . . . 97 THR CA . 10263 1 1147 . 1 1 97 97 THR CB C 13 67.687 0.300 . 1 . . . . 97 THR CB . 10263 1 1148 . 1 1 97 97 THR CG2 C 13 24.280 0.300 . 1 . . . . 97 THR CG2 . 10263 1 1149 . 1 1 97 97 THR N N 15 119.370 0.300 . 1 . . . . 97 THR N . 10263 1 1150 . 1 1 98 98 PRO HA H 1 4.494 0.030 . 1 . . . . 98 PRO HA . 10263 1 1151 . 1 1 98 98 PRO HB2 H 1 2.403 0.030 . 2 . . . . 98 PRO HB2 . 10263 1 1152 . 1 1 98 98 PRO HB3 H 1 1.974 0.030 . 2 . . . . 98 PRO HB3 . 10263 1 1153 . 1 1 98 98 PRO HD2 H 1 3.796 0.030 . 1 . . . . 98 PRO HD2 . 10263 1 1154 . 1 1 98 98 PRO HD3 H 1 3.796 0.030 . 1 . . . . 98 PRO HD3 . 10263 1 1155 . 1 1 98 98 PRO HG2 H 1 2.021 0.030 . 1 . . . . 98 PRO HG2 . 10263 1 1156 . 1 1 98 98 PRO HG3 H 1 2.021 0.030 . 1 . . . . 98 PRO HG3 . 10263 1 1157 . 1 1 98 98 PRO CA C 13 63.117 0.300 . 1 . . . . 98 PRO CA . 10263 1 1158 . 1 1 98 98 PRO CB C 13 32.500 0.300 . 1 . . . . 98 PRO CB . 10263 1 1159 . 1 1 98 98 PRO CD C 13 50.618 0.300 . 1 . . . . 98 PRO CD . 10263 1 1160 . 1 1 98 98 PRO CG C 13 27.696 0.300 . 1 . . . . 98 PRO CG . 10263 1 1161 . 1 1 99 99 GLU H H 1 8.534 0.030 . 1 . . . . 99 GLU H . 10263 1 1162 . 1 1 99 99 GLU HA H 1 4.195 0.030 . 1 . . . . 99 GLU HA . 10263 1 1163 . 1 1 99 99 GLU HB2 H 1 2.051 0.030 . 2 . . . . 99 GLU HB2 . 10263 1 1164 . 1 1 99 99 GLU HB3 H 1 1.892 0.030 . 2 . . . . 99 GLU HB3 . 10263 1 1165 . 1 1 99 99 GLU HG2 H 1 2.316 0.030 . 2 . . . . 99 GLU HG2 . 10263 1 1166 . 1 1 99 99 GLU HG3 H 1 2.277 0.030 . 2 . . . . 99 GLU HG3 . 10263 1 1167 . 1 1 99 99 GLU C C 13 175.881 0.300 . 1 . . . . 99 GLU C . 10263 1 1168 . 1 1 99 99 GLU CA C 13 56.330 0.300 . 1 . . . . 99 GLU CA . 10263 1 1169 . 1 1 99 99 GLU CB C 13 31.062 0.300 . 1 . . . . 99 GLU CB . 10263 1 1170 . 1 1 99 99 GLU CG C 13 36.421 0.300 . 1 . . . . 99 GLU CG . 10263 1 1171 . 1 1 99 99 GLU N N 15 119.688 0.300 . 1 . . . . 99 GLU N . 10263 1 1172 . 1 1 100 100 ASP H H 1 8.536 0.030 . 1 . . . . 100 ASP H . 10263 1 1173 . 1 1 100 100 ASP HA H 1 4.607 0.030 . 1 . . . . 100 ASP HA . 10263 1 1174 . 1 1 100 100 ASP HB2 H 1 2.759 0.030 . 2 . . . . 100 ASP HB2 . 10263 1 1175 . 1 1 100 100 ASP HB3 H 1 2.534 0.030 . 2 . . . . 100 ASP HB3 . 10263 1 1176 . 1 1 100 100 ASP C C 13 176.012 0.300 . 1 . . . . 100 ASP C . 10263 1 1177 . 1 1 100 100 ASP CA C 13 54.109 0.300 . 1 . . . . 100 ASP CA . 10263 1 1178 . 1 1 100 100 ASP CB C 13 41.562 0.300 . 1 . . . . 100 ASP CB . 10263 1 1179 . 1 1 100 100 ASP N N 15 119.803 0.300 . 1 . . . . 100 ASP N . 10263 1 1180 . 1 1 101 101 LEU H H 1 8.403 0.030 . 1 . . . . 101 LEU H . 10263 1 1181 . 1 1 101 101 LEU HA H 1 4.426 0.030 . 1 . . . . 101 LEU HA . 10263 1 1182 . 1 1 101 101 LEU HB2 H 1 1.649 0.030 . 1 . . . . 101 LEU HB2 . 10263 1 1183 . 1 1 101 101 LEU HB3 H 1 1.649 0.030 . 1 . . . . 101 LEU HB3 . 10263 1 1184 . 1 1 101 101 LEU HD11 H 1 0.913 0.030 . 1 . . . . 101 LEU HD1 . 10263 1 1185 . 1 1 101 101 LEU HD12 H 1 0.913 0.030 . 1 . . . . 101 LEU HD1 . 10263 1 1186 . 1 1 101 101 LEU HD13 H 1 0.913 0.030 . 1 . . . . 101 LEU HD1 . 10263 1 1187 . 1 1 101 101 LEU HD21 H 1 0.857 0.030 . 1 . . . . 101 LEU HD2 . 10263 1 1188 . 1 1 101 101 LEU HD22 H 1 0.857 0.030 . 1 . . . . 101 LEU HD2 . 10263 1 1189 . 1 1 101 101 LEU HD23 H 1 0.857 0.030 . 1 . . . . 101 LEU HD2 . 10263 1 1190 . 1 1 101 101 LEU HG H 1 1.629 0.030 . 1 . . . . 101 LEU HG . 10263 1 1191 . 1 1 101 101 LEU C C 13 177.534 0.300 . 1 . . . . 101 LEU C . 10263 1 1192 . 1 1 101 101 LEU CA C 13 55.113 0.300 . 1 . . . . 101 LEU CA . 10263 1 1193 . 1 1 101 101 LEU CB C 13 42.156 0.300 . 1 . . . . 101 LEU CB . 10263 1 1194 . 1 1 101 101 LEU CD1 C 13 25.243 0.300 . 2 . . . . 101 LEU CD1 . 10263 1 1195 . 1 1 101 101 LEU CD2 C 13 23.265 0.300 . 2 . . . . 101 LEU CD2 . 10263 1 1196 . 1 1 101 101 LEU CG C 13 27.139 0.300 . 1 . . . . 101 LEU CG . 10263 1 1197 . 1 1 101 101 LEU N N 15 123.876 0.300 . 1 . . . . 101 LEU N . 10263 1 1198 . 1 1 102 102 SER H H 1 8.413 0.030 . 1 . . . . 102 SER H . 10263 1 1199 . 1 1 102 102 SER HA H 1 4.434 0.030 . 1 . . . . 102 SER HA . 10263 1 1200 . 1 1 102 102 SER HB2 H 1 3.903 0.030 . 1 . . . . 102 SER HB2 . 10263 1 1201 . 1 1 102 102 SER HB3 H 1 3.903 0.030 . 1 . . . . 102 SER HB3 . 10263 1 1202 . 1 1 102 102 SER C C 13 174.674 0.300 . 1 . . . . 102 SER C . 10263 1 1203 . 1 1 102 102 SER CA C 13 58.798 0.300 . 1 . . . . 102 SER CA . 10263 1 1204 . 1 1 102 102 SER CB C 13 63.854 0.300 . 1 . . . . 102 SER CB . 10263 1 1205 . 1 1 102 102 SER N N 15 116.667 0.300 . 1 . . . . 102 SER N . 10263 1 1206 . 1 1 103 103 GLY H H 1 8.213 0.030 . 1 . . . . 103 GLY H . 10263 1 1207 . 1 1 103 103 GLY HA2 H 1 4.164 0.030 . 2 . . . . 103 GLY HA2 . 10263 1 1208 . 1 1 103 103 GLY HA3 H 1 4.057 0.030 . 2 . . . . 103 GLY HA3 . 10263 1 1209 . 1 1 103 103 GLY C C 13 171.822 0.300 . 1 . . . . 103 GLY C . 10263 1 1210 . 1 1 103 103 GLY CA C 13 44.658 0.300 . 1 . . . . 103 GLY CA . 10263 1 1211 . 1 1 103 103 GLY N N 15 110.592 0.300 . 1 . . . . 103 GLY N . 10263 1 1212 . 1 1 104 104 PRO HA H 1 4.475 0.030 . 1 . . . . 104 PRO HA . 10263 1 1213 . 1 1 104 104 PRO HB2 H 1 2.287 0.030 . 2 . . . . 104 PRO HB2 . 10263 1 1214 . 1 1 104 104 PRO HB3 H 1 1.967 0.030 . 2 . . . . 104 PRO HB3 . 10263 1 1215 . 1 1 104 104 PRO HD2 H 1 3.617 0.030 . 1 . . . . 104 PRO HD2 . 10263 1 1216 . 1 1 104 104 PRO HD3 H 1 3.617 0.030 . 1 . . . . 104 PRO HD3 . 10263 1 1217 . 1 1 104 104 PRO HG2 H 1 2.007 0.030 . 1 . . . . 104 PRO HG2 . 10263 1 1218 . 1 1 104 104 PRO HG3 H 1 2.007 0.030 . 1 . . . . 104 PRO HG3 . 10263 1 1219 . 1 1 104 104 PRO C C 13 177.445 0.300 . 1 . . . . 104 PRO C . 10263 1 1220 . 1 1 104 104 PRO CA C 13 63.312 0.300 . 1 . . . . 104 PRO CA . 10263 1 1221 . 1 1 104 104 PRO CB C 13 32.190 0.300 . 1 . . . . 104 PRO CB . 10263 1 1222 . 1 1 104 104 PRO CD C 13 49.818 0.300 . 1 . . . . 104 PRO CD . 10263 1 1223 . 1 1 104 104 PRO CG C 13 27.139 0.300 . 1 . . . . 104 PRO CG . 10263 1 1224 . 1 1 105 105 SER H H 1 8.538 0.030 . 1 . . . . 105 SER H . 10263 1 1225 . 1 1 105 105 SER HA H 1 4.541 0.030 . 1 . . . . 105 SER HA . 10263 1 1226 . 1 1 105 105 SER HB2 H 1 3.859 0.030 . 1 . . . . 105 SER HB2 . 10263 1 1227 . 1 1 105 105 SER HB3 H 1 3.859 0.030 . 1 . . . . 105 SER HB3 . 10263 1 1228 . 1 1 105 105 SER C C 13 174.616 0.300 . 1 . . . . 105 SER C . 10263 1 1229 . 1 1 105 105 SER CA C 13 58.270 0.300 . 1 . . . . 105 SER CA . 10263 1 1230 . 1 1 105 105 SER CB C 13 63.895 0.300 . 1 . . . . 105 SER CB . 10263 1 1231 . 1 1 105 105 SER N N 15 116.446 0.300 . 1 . . . . 105 SER N . 10263 1 1232 . 1 1 106 106 SER H H 1 8.350 0.030 . 1 . . . . 106 SER H . 10263 1 1233 . 1 1 106 106 SER HA H 1 4.541 0.030 . 1 . . . . 106 SER HA . 10263 1 1234 . 1 1 106 106 SER HB2 H 1 3.870 0.030 . 1 . . . . 106 SER HB2 . 10263 1 1235 . 1 1 106 106 SER HB3 H 1 3.870 0.030 . 1 . . . . 106 SER HB3 . 10263 1 1236 . 1 1 106 106 SER C C 13 174.530 0.300 . 1 . . . . 106 SER C . 10263 1 1237 . 1 1 106 106 SER CA C 13 58.357 0.300 . 1 . . . . 106 SER CA . 10263 1 1238 . 1 1 106 106 SER CB C 13 64.020 0.300 . 1 . . . . 106 SER CB . 10263 1 1239 . 1 1 106 106 SER N N 15 117.448 0.300 . 1 . . . . 106 SER N . 10263 1 1240 . 1 1 107 107 GLY H H 1 8.314 0.030 . 1 . . . . 107 GLY H . 10263 1 1241 . 1 1 107 107 GLY HA2 H 1 4.340 0.030 . 2 . . . . 107 GLY HA2 . 10263 1 1242 . 1 1 107 107 GLY HA3 H 1 3.623 0.030 . 2 . . . . 107 GLY HA3 . 10263 1 1243 . 1 1 107 107 GLY C C 13 171.093 0.300 . 1 . . . . 107 GLY C . 10263 1 1244 . 1 1 107 107 GLY CA C 13 44.340 0.300 . 1 . . . . 107 GLY CA . 10263 1 1245 . 1 1 107 107 GLY N N 15 109.820 0.300 . 1 . . . . 107 GLY N . 10263 1 stop_ save_