data_10039 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10039 _Entry.Title ; Solution Structure of the Pleckstrin Homology Domain of Mouse Ethanol Decreased 4 Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-11-09 _Entry.Accession_date 2006-11-10 _Entry.Last_release_date 2008-08-13 _Entry.Original_release_date 2008-08-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 H. Li . . . 10039 2 S. Koshiba . . . 10039 3 M. Inoue . . . 10039 4 T. Kigawa . . . 10039 5 S. Yokoyama . . . 10039 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10039 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10039 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 489 10039 '15N chemical shifts' 112 10039 '1H chemical shifts' 744 10039 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 . . 2008-08-13 2006-11-09 original author . 10039 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WGQ 'BMRB Entry Tracking System' 10039 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10039 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution Structure of the Pleckstrin Homology Domain of Mouse Ethanol Decreased 4 Protein ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 H. Li . . . 10039 1 2 S. Koshiba . . . 10039 1 3 M. Inoue . . . 10039 1 4 T. Kigawa . . . 10039 1 5 S. Yokoyama . . . 10039 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10039 _Assembly.ID 1 _Assembly.Name 'FYVE, RhoGEF and PH domain containing 6; ethanol decreased 4' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10039 1 stop_ 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 'FYVE, RhoGEF and PH domain containing 6; ethanol decreased 4' 1 $entity_1 . . yes native no no . . . 10039 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 1WGQ . . . . . . 10039 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10039 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Pleckstrin Homology 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 ; GSSGSSGSTMSGYLYRSKGS KKPWKHLWFVIKNKVLYTYA ASEDVAALESQPLLGFTVTL VKDENSESKVFQLLHKGMVF YVFKADDAHSTQRWIDAFQE GTVSGPSSG ; _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 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 1WGQ . "Solution Structure Of The Pleckstrin Homology Domain Of Mouse Ethanol Decreased 4 Protein" . . . . . 100.00 109 100.00 100.00 1.80e-72 . . . . 10039 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Pleckstrin Homology domain' . 10039 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 . 10039 1 2 . SER . 10039 1 3 . SER . 10039 1 4 . GLY . 10039 1 5 . SER . 10039 1 6 . SER . 10039 1 7 . GLY . 10039 1 8 . SER . 10039 1 9 . THR . 10039 1 10 . MET . 10039 1 11 . SER . 10039 1 12 . GLY . 10039 1 13 . TYR . 10039 1 14 . LEU . 10039 1 15 . TYR . 10039 1 16 . ARG . 10039 1 17 . SER . 10039 1 18 . LYS . 10039 1 19 . GLY . 10039 1 20 . SER . 10039 1 21 . LYS . 10039 1 22 . LYS . 10039 1 23 . PRO . 10039 1 24 . TRP . 10039 1 25 . LYS . 10039 1 26 . HIS . 10039 1 27 . LEU . 10039 1 28 . TRP . 10039 1 29 . PHE . 10039 1 30 . VAL . 10039 1 31 . ILE . 10039 1 32 . LYS . 10039 1 33 . ASN . 10039 1 34 . LYS . 10039 1 35 . VAL . 10039 1 36 . LEU . 10039 1 37 . TYR . 10039 1 38 . THR . 10039 1 39 . TYR . 10039 1 40 . ALA . 10039 1 41 . ALA . 10039 1 42 . SER . 10039 1 43 . GLU . 10039 1 44 . ASP . 10039 1 45 . VAL . 10039 1 46 . ALA . 10039 1 47 . ALA . 10039 1 48 . LEU . 10039 1 49 . GLU . 10039 1 50 . SER . 10039 1 51 . GLN . 10039 1 52 . PRO . 10039 1 53 . LEU . 10039 1 54 . LEU . 10039 1 55 . GLY . 10039 1 56 . PHE . 10039 1 57 . THR . 10039 1 58 . VAL . 10039 1 59 . THR . 10039 1 60 . LEU . 10039 1 61 . VAL . 10039 1 62 . LYS . 10039 1 63 . ASP . 10039 1 64 . GLU . 10039 1 65 . ASN . 10039 1 66 . SER . 10039 1 67 . GLU . 10039 1 68 . SER . 10039 1 69 . LYS . 10039 1 70 . VAL . 10039 1 71 . PHE . 10039 1 72 . GLN . 10039 1 73 . LEU . 10039 1 74 . LEU . 10039 1 75 . HIS . 10039 1 76 . LYS . 10039 1 77 . GLY . 10039 1 78 . MET . 10039 1 79 . VAL . 10039 1 80 . PHE . 10039 1 81 . TYR . 10039 1 82 . VAL . 10039 1 83 . PHE . 10039 1 84 . LYS . 10039 1 85 . ALA . 10039 1 86 . ASP . 10039 1 87 . ASP . 10039 1 88 . ALA . 10039 1 89 . HIS . 10039 1 90 . SER . 10039 1 91 . THR . 10039 1 92 . GLN . 10039 1 93 . ARG . 10039 1 94 . TRP . 10039 1 95 . ILE . 10039 1 96 . ASP . 10039 1 97 . ALA . 10039 1 98 . PHE . 10039 1 99 . GLN . 10039 1 100 . GLU . 10039 1 101 . GLY . 10039 1 102 . THR . 10039 1 103 . VAL . 10039 1 104 . SER . 10039 1 105 . GLY . 10039 1 106 . PRO . 10039 1 107 . SER . 10039 1 108 . SER . 10039 1 109 . GLY . 10039 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 10039 1 . SER 2 2 10039 1 . SER 3 3 10039 1 . GLY 4 4 10039 1 . SER 5 5 10039 1 . SER 6 6 10039 1 . GLY 7 7 10039 1 . SER 8 8 10039 1 . THR 9 9 10039 1 . MET 10 10 10039 1 . SER 11 11 10039 1 . GLY 12 12 10039 1 . TYR 13 13 10039 1 . LEU 14 14 10039 1 . TYR 15 15 10039 1 . ARG 16 16 10039 1 . SER 17 17 10039 1 . LYS 18 18 10039 1 . GLY 19 19 10039 1 . SER 20 20 10039 1 . LYS 21 21 10039 1 . LYS 22 22 10039 1 . PRO 23 23 10039 1 . TRP 24 24 10039 1 . LYS 25 25 10039 1 . HIS 26 26 10039 1 . LEU 27 27 10039 1 . TRP 28 28 10039 1 . PHE 29 29 10039 1 . VAL 30 30 10039 1 . ILE 31 31 10039 1 . LYS 32 32 10039 1 . ASN 33 33 10039 1 . LYS 34 34 10039 1 . VAL 35 35 10039 1 . LEU 36 36 10039 1 . TYR 37 37 10039 1 . THR 38 38 10039 1 . TYR 39 39 10039 1 . ALA 40 40 10039 1 . ALA 41 41 10039 1 . SER 42 42 10039 1 . GLU 43 43 10039 1 . ASP 44 44 10039 1 . VAL 45 45 10039 1 . ALA 46 46 10039 1 . ALA 47 47 10039 1 . LEU 48 48 10039 1 . GLU 49 49 10039 1 . SER 50 50 10039 1 . GLN 51 51 10039 1 . PRO 52 52 10039 1 . LEU 53 53 10039 1 . LEU 54 54 10039 1 . GLY 55 55 10039 1 . PHE 56 56 10039 1 . THR 57 57 10039 1 . VAL 58 58 10039 1 . THR 59 59 10039 1 . LEU 60 60 10039 1 . VAL 61 61 10039 1 . LYS 62 62 10039 1 . ASP 63 63 10039 1 . GLU 64 64 10039 1 . ASN 65 65 10039 1 . SER 66 66 10039 1 . GLU 67 67 10039 1 . SER 68 68 10039 1 . LYS 69 69 10039 1 . VAL 70 70 10039 1 . PHE 71 71 10039 1 . GLN 72 72 10039 1 . LEU 73 73 10039 1 . LEU 74 74 10039 1 . HIS 75 75 10039 1 . LYS 76 76 10039 1 . GLY 77 77 10039 1 . MET 78 78 10039 1 . VAL 79 79 10039 1 . PHE 80 80 10039 1 . TYR 81 81 10039 1 . VAL 82 82 10039 1 . PHE 83 83 10039 1 . LYS 84 84 10039 1 . ALA 85 85 10039 1 . ASP 86 86 10039 1 . ASP 87 87 10039 1 . ALA 88 88 10039 1 . HIS 89 89 10039 1 . SER 90 90 10039 1 . THR 91 91 10039 1 . GLN 92 92 10039 1 . ARG 93 93 10039 1 . TRP 94 94 10039 1 . ILE 95 95 10039 1 . ASP 96 96 10039 1 . ALA 97 97 10039 1 . PHE 98 98 10039 1 . GLN 99 99 10039 1 . GLU 100 100 10039 1 . GLY 101 101 10039 1 . THR 102 102 10039 1 . VAL 103 103 10039 1 . SER 104 104 10039 1 . GLY 105 105 10039 1 . PRO 106 106 10039 1 . SER 107 107 10039 1 . SER 108 108 10039 1 . GLY 109 109 10039 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 10039 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 . . . mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 10039 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 10039 _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 . . P030212-46 . . . . . . 10039 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10039 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Pleckstrin Homology domain' '[U-13C, U-15N]' . . 1 $entity_1 . . 1.22 . . mM . . . . 10039 1 2 Phosphate . . . . . . buffer 20 . . mM . . . . 10039 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10039 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10039 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10039 1 6 H2O . . . . . . solvent 90 . . % . . . . 10039 1 7 D2O . . . . . . solvent 10 . . % . . . . 10039 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 10039 _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 10039 1 pH 6.0 0.05 pH 10039 1 pressure 1 0.001 atm 10039 1 temperature 298 0.1 K 10039 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10039 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10039 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10039 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10039 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10039 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10039 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10039 _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.' . . 10039 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10039 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10039 _Software.ID 4 _Software.Name Kujira _Software.Version 0.897 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10039 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10039 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10039 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10039 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10039 5 'structure solution' 10039 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 10039 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10039 _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 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10039 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10039 1 stop_ save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10039 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10039 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 10039 _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 . . . . . . . . . 10039 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10039 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10039 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 10039 _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 10039 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10039 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 4 4 GLY HA2 H 1 3.970 0.030 . 1 . . . . 4 GLY HA2 . 10039 1 2 . 1 1 4 4 GLY HA3 H 1 3.970 0.030 . 1 . . . . 4 GLY HA3 . 10039 1 3 . 1 1 4 4 GLY C C 13 174.388 0.300 . 1 . . . . 4 GLY C . 10039 1 4 . 1 1 4 4 GLY CA C 13 45.416 0.300 . 1 . . . . 4 GLY CA . 10039 1 5 . 1 1 5 5 SER H H 1 8.275 0.030 . 1 . . . . 5 SER H . 10039 1 6 . 1 1 5 5 SER HA H 1 4.523 0.030 . 1 . . . . 5 SER HA . 10039 1 7 . 1 1 5 5 SER HB2 H 1 3.860 0.030 . 1 . . . . 5 SER HB2 . 10039 1 8 . 1 1 5 5 SER HB3 H 1 3.860 0.030 . 1 . . . . 5 SER HB3 . 10039 1 9 . 1 1 5 5 SER C C 13 174.969 0.300 . 1 . . . . 5 SER C . 10039 1 10 . 1 1 5 5 SER CA C 13 58.348 0.300 . 1 . . . . 5 SER CA . 10039 1 11 . 1 1 5 5 SER CB C 13 63.912 0.300 . 1 . . . . 5 SER CB . 10039 1 12 . 1 1 5 5 SER N N 15 115.587 0.300 . 1 . . . . 5 SER N . 10039 1 13 . 1 1 6 6 SER H H 1 8.583 0.030 . 1 . . . . 6 SER H . 10039 1 14 . 1 1 6 6 SER HA H 1 4.468 0.030 . 1 . . . . 6 SER HA . 10039 1 15 . 1 1 6 6 SER HB2 H 1 3.887 0.030 . 1 . . . . 6 SER HB2 . 10039 1 16 . 1 1 6 6 SER HB3 H 1 3.887 0.030 . 1 . . . . 6 SER HB3 . 10039 1 17 . 1 1 6 6 SER C C 13 175.139 0.300 . 1 . . . . 6 SER C . 10039 1 18 . 1 1 6 6 SER CA C 13 58.612 0.300 . 1 . . . . 6 SER CA . 10039 1 19 . 1 1 6 6 SER CB C 13 63.747 0.300 . 1 . . . . 6 SER CB . 10039 1 20 . 1 1 6 6 SER N N 15 118.246 0.300 . 1 . . . . 6 SER N . 10039 1 21 . 1 1 7 7 GLY H H 1 8.470 0.030 . 1 . . . . 7 GLY H . 10039 1 22 . 1 1 7 7 GLY HA2 H 1 3.994 0.030 . 1 . . . . 7 GLY HA2 . 10039 1 23 . 1 1 7 7 GLY HA3 H 1 3.994 0.030 . 1 . . . . 7 GLY HA3 . 10039 1 24 . 1 1 7 7 GLY C C 13 174.194 0.300 . 1 . . . . 7 GLY C . 10039 1 25 . 1 1 7 7 GLY CA C 13 45.345 0.300 . 1 . . . . 7 GLY CA . 10039 1 26 . 1 1 7 7 GLY N N 15 110.880 0.300 . 1 . . . . 7 GLY N . 10039 1 27 . 1 1 8 8 SER H H 1 8.190 0.030 . 1 . . . . 8 SER H . 10039 1 28 . 1 1 8 8 SER HA H 1 4.509 0.030 . 1 . . . . 8 SER HA . 10039 1 29 . 1 1 8 8 SER HB2 H 1 3.767 0.030 . 2 . . . . 8 SER HB2 . 10039 1 30 . 1 1 8 8 SER HB3 H 1 3.856 0.030 . 2 . . . . 8 SER HB3 . 10039 1 31 . 1 1 8 8 SER C C 13 174.352 0.300 . 1 . . . . 8 SER C . 10039 1 32 . 1 1 8 8 SER CA C 13 58.153 0.300 . 1 . . . . 8 SER CA . 10039 1 33 . 1 1 8 8 SER CB C 13 64.142 0.300 . 1 . . . . 8 SER CB . 10039 1 34 . 1 1 8 8 SER N N 15 115.414 0.300 . 1 . . . . 8 SER N . 10039 1 35 . 1 1 9 9 THR H H 1 8.505 0.030 . 1 . . . . 9 THR H . 10039 1 36 . 1 1 9 9 THR HA H 1 4.427 0.030 . 1 . . . . 9 THR HA . 10039 1 37 . 1 1 9 9 THR HB H 1 3.934 0.030 . 1 . . . . 9 THR HB . 10039 1 38 . 1 1 9 9 THR HG21 H 1 1.131 0.030 . 1 . . . . 9 THR HG2 . 10039 1 39 . 1 1 9 9 THR HG22 H 1 1.131 0.030 . 1 . . . . 9 THR HG2 . 10039 1 40 . 1 1 9 9 THR HG23 H 1 1.131 0.030 . 1 . . . . 9 THR HG2 . 10039 1 41 . 1 1 9 9 THR C C 13 173.867 0.300 . 1 . . . . 9 THR C . 10039 1 42 . 1 1 9 9 THR CA C 13 62.599 0.300 . 1 . . . . 9 THR CA . 10039 1 43 . 1 1 9 9 THR CB C 13 69.948 0.300 . 1 . . . . 9 THR CB . 10039 1 44 . 1 1 9 9 THR CG2 C 13 21.782 0.300 . 1 . . . . 9 THR CG2 . 10039 1 45 . 1 1 9 9 THR N N 15 117.437 0.300 . 1 . . . . 9 THR N . 10039 1 46 . 1 1 10 10 MET H H 1 7.566 0.030 . 1 . . . . 10 MET H . 10039 1 47 . 1 1 10 10 MET HA H 1 4.321 0.030 . 1 . . . . 10 MET HA . 10039 1 48 . 1 1 10 10 MET HB2 H 1 1.428 0.030 . 2 . . . . 10 MET HB2 . 10039 1 49 . 1 1 10 10 MET HB3 H 1 0.925 0.030 . 2 . . . . 10 MET HB3 . 10039 1 50 . 1 1 10 10 MET HG2 H 1 0.321 0.030 . 2 . . . . 10 MET HG2 . 10039 1 51 . 1 1 10 10 MET HG3 H 1 1.056 0.030 . 2 . . . . 10 MET HG3 . 10039 1 52 . 1 1 10 10 MET HE1 H 1 0.888 0.030 . 1 . . . . 10 MET HE . 10039 1 53 . 1 1 10 10 MET HE2 H 1 0.888 0.030 . 1 . . . . 10 MET HE . 10039 1 54 . 1 1 10 10 MET HE3 H 1 0.888 0.030 . 1 . . . . 10 MET HE . 10039 1 55 . 1 1 10 10 MET C C 13 172.328 0.300 . 1 . . . . 10 MET C . 10039 1 56 . 1 1 10 10 MET CA C 13 54.246 0.300 . 1 . . . . 10 MET CA . 10039 1 57 . 1 1 10 10 MET CB C 13 33.776 0.300 . 1 . . . . 10 MET CB . 10039 1 58 . 1 1 10 10 MET CG C 13 31.724 0.300 . 1 . . . . 10 MET CG . 10039 1 59 . 1 1 10 10 MET CE C 13 16.522 0.300 . 1 . . . . 10 MET CE . 10039 1 60 . 1 1 10 10 MET N N 15 121.300 0.300 . 1 . . . . 10 MET N . 10039 1 61 . 1 1 11 11 SER H H 1 7.485 0.030 . 1 . . . . 11 SER H . 10039 1 62 . 1 1 11 11 SER HA H 1 5.542 0.030 . 1 . . . . 11 SER HA . 10039 1 63 . 1 1 11 11 SER HB2 H 1 3.825 0.030 . 2 . . . . 11 SER HB2 . 10039 1 64 . 1 1 11 11 SER HB3 H 1 3.534 0.030 . 2 . . . . 11 SER HB3 . 10039 1 65 . 1 1 11 11 SER C C 13 172.643 0.300 . 1 . . . . 11 SER C . 10039 1 66 . 1 1 11 11 SER CA C 13 56.301 0.300 . 1 . . . . 11 SER CA . 10039 1 67 . 1 1 11 11 SER CB C 13 66.541 0.300 . 1 . . . . 11 SER CB . 10039 1 68 . 1 1 11 11 SER N N 15 115.558 0.300 . 1 . . . . 11 SER N . 10039 1 69 . 1 1 12 12 GLY H H 1 7.714 0.030 . 1 . . . . 12 GLY H . 10039 1 70 . 1 1 12 12 GLY HA2 H 1 4.342 0.030 . 2 . . . . 12 GLY HA2 . 10039 1 71 . 1 1 12 12 GLY HA3 H 1 3.085 0.030 . 2 . . . . 12 GLY HA3 . 10039 1 72 . 1 1 12 12 GLY C C 13 171.468 0.300 . 1 . . . . 12 GLY C . 10039 1 73 . 1 1 12 12 GLY CA C 13 45.292 0.300 . 1 . . . . 12 GLY CA . 10039 1 74 . 1 1 12 12 GLY N N 15 107.647 0.300 . 1 . . . . 12 GLY N . 10039 1 75 . 1 1 13 13 TYR H H 1 8.734 0.030 . 1 . . . . 13 TYR H . 10039 1 76 . 1 1 13 13 TYR HA H 1 5.444 0.030 . 1 . . . . 13 TYR HA . 10039 1 77 . 1 1 13 13 TYR HB2 H 1 2.947 0.030 . 2 . . . . 13 TYR HB2 . 10039 1 78 . 1 1 13 13 TYR HB3 H 1 2.270 0.030 . 2 . . . . 13 TYR HB3 . 10039 1 79 . 1 1 13 13 TYR HD1 H 1 7.041 0.030 . 1 . . . . 13 TYR HD1 . 10039 1 80 . 1 1 13 13 TYR HD2 H 1 7.041 0.030 . 1 . . . . 13 TYR HD2 . 10039 1 81 . 1 1 13 13 TYR HE1 H 1 6.918 0.030 . 1 . . . . 13 TYR HE1 . 10039 1 82 . 1 1 13 13 TYR HE2 H 1 6.918 0.030 . 1 . . . . 13 TYR HE2 . 10039 1 83 . 1 1 13 13 TYR C C 13 178.168 0.300 . 1 . . . . 13 TYR C . 10039 1 84 . 1 1 13 13 TYR CA C 13 58.983 0.300 . 1 . . . . 13 TYR CA . 10039 1 85 . 1 1 13 13 TYR CB C 13 40.725 0.300 . 1 . . . . 13 TYR CB . 10039 1 86 . 1 1 13 13 TYR CD1 C 13 133.500 0.300 . 1 . . . . 13 TYR CD1 . 10039 1 87 . 1 1 13 13 TYR CD2 C 13 133.500 0.300 . 1 . . . . 13 TYR CD2 . 10039 1 88 . 1 1 13 13 TYR CE1 C 13 119.025 0.300 . 1 . . . . 13 TYR CE1 . 10039 1 89 . 1 1 13 13 TYR CE2 C 13 119.025 0.300 . 1 . . . . 13 TYR CE2 . 10039 1 90 . 1 1 13 13 TYR N N 15 117.439 0.300 . 1 . . . . 13 TYR N . 10039 1 91 . 1 1 14 14 LEU H H 1 9.059 0.030 . 1 . . . . 14 LEU H . 10039 1 92 . 1 1 14 14 LEU HA H 1 4.718 0.030 . 1 . . . . 14 LEU HA . 10039 1 93 . 1 1 14 14 LEU HB2 H 1 1.751 0.030 . 2 . . . . 14 LEU HB2 . 10039 1 94 . 1 1 14 14 LEU HB3 H 1 1.176 0.030 . 2 . . . . 14 LEU HB3 . 10039 1 95 . 1 1 14 14 LEU HG H 1 0.755 0.030 . 1 . . . . 14 LEU HG . 10039 1 96 . 1 1 14 14 LEU HD11 H 1 -1.017 0.030 . 1 . . . . 14 LEU HD1 . 10039 1 97 . 1 1 14 14 LEU HD12 H 1 -1.017 0.030 . 1 . . . . 14 LEU HD1 . 10039 1 98 . 1 1 14 14 LEU HD13 H 1 -1.017 0.030 . 1 . . . . 14 LEU HD1 . 10039 1 99 . 1 1 14 14 LEU HD21 H 1 0.319 0.030 . 1 . . . . 14 LEU HD2 . 10039 1 100 . 1 1 14 14 LEU HD22 H 1 0.319 0.030 . 1 . . . . 14 LEU HD2 . 10039 1 101 . 1 1 14 14 LEU HD23 H 1 0.319 0.030 . 1 . . . . 14 LEU HD2 . 10039 1 102 . 1 1 14 14 LEU C C 13 176.593 0.300 . 1 . . . . 14 LEU C . 10039 1 103 . 1 1 14 14 LEU CA C 13 54.378 0.300 . 1 . . . . 14 LEU CA . 10039 1 104 . 1 1 14 14 LEU CB C 13 47.300 0.300 . 1 . . . . 14 LEU CB . 10039 1 105 . 1 1 14 14 LEU CG C 13 26.665 0.300 . 1 . . . . 14 LEU CG . 10039 1 106 . 1 1 14 14 LEU CD1 C 13 23.456 0.300 . 2 . . . . 14 LEU CD1 . 10039 1 107 . 1 1 14 14 LEU CD2 C 13 24.016 0.300 . 2 . . . . 14 LEU CD2 . 10039 1 108 . 1 1 14 14 LEU N N 15 119.570 0.300 . 1 . . . . 14 LEU N . 10039 1 109 . 1 1 15 15 TYR H H 1 8.600 0.030 . 1 . . . . 15 TYR H . 10039 1 110 . 1 1 15 15 TYR HA H 1 5.505 0.030 . 1 . . . . 15 TYR HA . 10039 1 111 . 1 1 15 15 TYR HB2 H 1 2.847 0.030 . 2 . . . . 15 TYR HB2 . 10039 1 112 . 1 1 15 15 TYR HB3 H 1 2.666 0.030 . 2 . . . . 15 TYR HB3 . 10039 1 113 . 1 1 15 15 TYR HD1 H 1 6.955 0.030 . 1 . . . . 15 TYR HD1 . 10039 1 114 . 1 1 15 15 TYR HD2 H 1 6.955 0.030 . 1 . . . . 15 TYR HD2 . 10039 1 115 . 1 1 15 15 TYR HE1 H 1 6.747 0.030 . 1 . . . . 15 TYR HE1 . 10039 1 116 . 1 1 15 15 TYR HE2 H 1 6.747 0.030 . 1 . . . . 15 TYR HE2 . 10039 1 117 . 1 1 15 15 TYR C C 13 175.260 0.300 . 1 . . . . 15 TYR C . 10039 1 118 . 1 1 15 15 TYR CA C 13 58.065 0.300 . 1 . . . . 15 TYR CA . 10039 1 119 . 1 1 15 15 TYR CB C 13 39.574 0.300 . 1 . . . . 15 TYR CB . 10039 1 120 . 1 1 15 15 TYR CD1 C 13 132.999 0.300 . 1 . . . . 15 TYR CD1 . 10039 1 121 . 1 1 15 15 TYR CD2 C 13 132.999 0.300 . 1 . . . . 15 TYR CD2 . 10039 1 122 . 1 1 15 15 TYR CE1 C 13 118.440 0.300 . 1 . . . . 15 TYR CE1 . 10039 1 123 . 1 1 15 15 TYR CE2 C 13 118.440 0.300 . 1 . . . . 15 TYR CE2 . 10039 1 124 . 1 1 15 15 TYR N N 15 117.928 0.300 . 1 . . . . 15 TYR N . 10039 1 125 . 1 1 16 16 ARG H H 1 9.692 0.030 . 1 . . . . 16 ARG H . 10039 1 126 . 1 1 16 16 ARG HA H 1 5.526 0.030 . 1 . . . . 16 ARG HA . 10039 1 127 . 1 1 16 16 ARG HB2 H 1 1.782 0.030 . 2 . . . . 16 ARG HB2 . 10039 1 128 . 1 1 16 16 ARG HB3 H 1 1.548 0.030 . 2 . . . . 16 ARG HB3 . 10039 1 129 . 1 1 16 16 ARG HG2 H 1 0.858 0.030 . 2 . . . . 16 ARG HG2 . 10039 1 130 . 1 1 16 16 ARG HG3 H 1 0.522 0.030 . 2 . . . . 16 ARG HG3 . 10039 1 131 . 1 1 16 16 ARG HD2 H 1 2.458 0.030 . 2 . . . . 16 ARG HD2 . 10039 1 132 . 1 1 16 16 ARG HD3 H 1 1.425 0.030 . 2 . . . . 16 ARG HD3 . 10039 1 133 . 1 1 16 16 ARG HE H 1 7.010 0.030 . 1 . . . . 16 ARG HE . 10039 1 134 . 1 1 16 16 ARG C C 13 175.720 0.300 . 1 . . . . 16 ARG C . 10039 1 135 . 1 1 16 16 ARG CA C 13 54.254 0.300 . 1 . . . . 16 ARG CA . 10039 1 136 . 1 1 16 16 ARG CB C 13 35.052 0.300 . 1 . . . . 16 ARG CB . 10039 1 137 . 1 1 16 16 ARG CG C 13 25.969 0.300 . 1 . . . . 16 ARG CG . 10039 1 138 . 1 1 16 16 ARG CD C 13 42.288 0.300 . 1 . . . . 16 ARG CD . 10039 1 139 . 1 1 16 16 ARG N N 15 123.392 0.300 . 1 . . . . 16 ARG N . 10039 1 140 . 1 1 16 16 ARG NE N 15 82.680 0.300 . 1 . . . . 16 ARG NE . 10039 1 141 . 1 1 17 17 SER H H 1 9.371 0.030 . 1 . . . . 17 SER H . 10039 1 142 . 1 1 17 17 SER HA H 1 4.773 0.030 . 1 . . . . 17 SER HA . 10039 1 143 . 1 1 17 17 SER HB2 H 1 2.574 0.030 . 2 . . . . 17 SER HB2 . 10039 1 144 . 1 1 17 17 SER HB3 H 1 2.132 0.030 . 2 . . . . 17 SER HB3 . 10039 1 145 . 1 1 17 17 SER C C 13 173.964 0.300 . 1 . . . . 17 SER C . 10039 1 146 . 1 1 17 17 SER CA C 13 55.631 0.300 . 1 . . . . 17 SER CA . 10039 1 147 . 1 1 17 17 SER CB C 13 65.104 0.300 . 1 . . . . 17 SER CB . 10039 1 148 . 1 1 17 17 SER N N 15 125.422 0.300 . 1 . . . . 17 SER N . 10039 1 149 . 1 1 18 18 LYS H H 1 8.606 0.030 . 1 . . . . 18 LYS H . 10039 1 150 . 1 1 18 18 LYS HA H 1 4.319 0.030 . 1 . . . . 18 LYS HA . 10039 1 151 . 1 1 18 18 LYS HB2 H 1 1.888 0.030 . 2 . . . . 18 LYS HB2 . 10039 1 152 . 1 1 18 18 LYS HB3 H 1 1.461 0.030 . 2 . . . . 18 LYS HB3 . 10039 1 153 . 1 1 18 18 LYS HG2 H 1 1.464 0.030 . 2 . . . . 18 LYS HG2 . 10039 1 154 . 1 1 18 18 LYS HG3 H 1 1.352 0.030 . 2 . . . . 18 LYS HG3 . 10039 1 155 . 1 1 18 18 LYS HD2 H 1 1.584 0.030 . 1 . . . . 18 LYS HD2 . 10039 1 156 . 1 1 18 18 LYS HD3 H 1 1.584 0.030 . 1 . . . . 18 LYS HD3 . 10039 1 157 . 1 1 18 18 LYS HE2 H 1 2.845 0.030 . 1 . . . . 18 LYS HE2 . 10039 1 158 . 1 1 18 18 LYS HE3 H 1 2.845 0.030 . 1 . . . . 18 LYS HE3 . 10039 1 159 . 1 1 18 18 LYS C C 13 175.563 0.300 . 1 . . . . 18 LYS C . 10039 1 160 . 1 1 18 18 LYS CA C 13 56.089 0.300 . 1 . . . . 18 LYS CA . 10039 1 161 . 1 1 18 18 LYS CB C 13 32.174 0.300 . 1 . . . . 18 LYS CB . 10039 1 162 . 1 1 18 18 LYS CG C 13 25.450 0.300 . 1 . . . . 18 LYS CG . 10039 1 163 . 1 1 18 18 LYS CD C 13 28.522 0.300 . 1 . . . . 18 LYS CD . 10039 1 164 . 1 1 18 18 LYS CE C 13 41.959 0.300 . 1 . . . . 18 LYS CE . 10039 1 165 . 1 1 18 18 LYS N N 15 122.887 0.300 . 1 . . . . 18 LYS N . 10039 1 166 . 1 1 19 19 GLY H H 1 7.676 0.030 . 1 . . . . 19 GLY H . 10039 1 167 . 1 1 19 19 GLY HA2 H 1 4.074 0.030 . 2 . . . . 19 GLY HA2 . 10039 1 168 . 1 1 19 19 GLY HA3 H 1 3.413 0.030 . 2 . . . . 19 GLY HA3 . 10039 1 169 . 1 1 19 19 GLY C C 13 172.474 0.300 . 1 . . . . 19 GLY C . 10039 1 170 . 1 1 19 19 GLY CA C 13 44.605 0.300 . 1 . . . . 19 GLY CA . 10039 1 171 . 1 1 19 19 GLY N N 15 105.237 0.300 . 1 . . . . 19 GLY N . 10039 1 172 . 1 1 20 20 SER H H 1 8.486 0.030 . 1 . . . . 20 SER H . 10039 1 173 . 1 1 20 20 SER HA H 1 4.007 0.030 . 1 . . . . 20 SER HA . 10039 1 174 . 1 1 20 20 SER HB2 H 1 3.773 0.030 . 1 . . . . 20 SER HB2 . 10039 1 175 . 1 1 20 20 SER HB3 H 1 3.773 0.030 . 1 . . . . 20 SER HB3 . 10039 1 176 . 1 1 20 20 SER C C 13 175.139 0.300 . 1 . . . . 20 SER C . 10039 1 177 . 1 1 20 20 SER CA C 13 60.024 0.300 . 1 . . . . 20 SER CA . 10039 1 178 . 1 1 20 20 SER CB C 13 62.884 0.300 . 1 . . . . 20 SER CB . 10039 1 179 . 1 1 20 20 SER N N 15 115.028 0.300 . 1 . . . . 20 SER N . 10039 1 180 . 1 1 21 21 LYS H H 1 8.596 0.030 . 1 . . . . 21 LYS H . 10039 1 181 . 1 1 21 21 LYS HA H 1 3.998 0.030 . 1 . . . . 21 LYS HA . 10039 1 182 . 1 1 21 21 LYS HB2 H 1 1.942 0.030 . 2 . . . . 21 LYS HB2 . 10039 1 183 . 1 1 21 21 LYS HB3 H 1 1.822 0.030 . 2 . . . . 21 LYS HB3 . 10039 1 184 . 1 1 21 21 LYS HG2 H 1 1.356 0.030 . 2 . . . . 21 LYS HG2 . 10039 1 185 . 1 1 21 21 LYS HG3 H 1 1.289 0.030 . 2 . . . . 21 LYS HG3 . 10039 1 186 . 1 1 21 21 LYS HD2 H 1 1.615 0.030 . 2 . . . . 21 LYS HD2 . 10039 1 187 . 1 1 21 21 LYS HE2 H 1 2.928 0.030 . 1 . . . . 21 LYS HE2 . 10039 1 188 . 1 1 21 21 LYS HE3 H 1 2.928 0.030 . 1 . . . . 21 LYS HE3 . 10039 1 189 . 1 1 21 21 LYS C C 13 175.757 0.300 . 1 . . . . 21 LYS C . 10039 1 190 . 1 1 21 21 LYS CA C 13 56.866 0.300 . 1 . . . . 21 LYS CA . 10039 1 191 . 1 1 21 21 LYS CB C 13 30.297 0.300 . 1 . . . . 21 LYS CB . 10039 1 192 . 1 1 21 21 LYS CG C 13 25.185 0.300 . 1 . . . . 21 LYS CG . 10039 1 193 . 1 1 21 21 LYS CD C 13 28.885 0.300 . 1 . . . . 21 LYS CD . 10039 1 194 . 1 1 21 21 LYS CE C 13 42.123 0.300 . 1 . . . . 21 LYS CE . 10039 1 195 . 1 1 21 21 LYS N N 15 118.463 0.300 . 1 . . . . 21 LYS N . 10039 1 196 . 1 1 22 22 LYS H H 1 7.430 0.030 . 1 . . . . 22 LYS H . 10039 1 197 . 1 1 22 22 LYS HA H 1 4.543 0.030 . 1 . . . . 22 LYS HA . 10039 1 198 . 1 1 22 22 LYS HB2 H 1 1.831 0.030 . 2 . . . . 22 LYS HB2 . 10039 1 199 . 1 1 22 22 LYS HB3 H 1 1.533 0.030 . 2 . . . . 22 LYS HB3 . 10039 1 200 . 1 1 22 22 LYS HG2 H 1 1.142 0.030 . 1 . . . . 22 LYS HG2 . 10039 1 201 . 1 1 22 22 LYS HG3 H 1 1.142 0.030 . 1 . . . . 22 LYS HG3 . 10039 1 202 . 1 1 22 22 LYS HD2 H 1 1.354 0.030 . 2 . . . . 22 LYS HD2 . 10039 1 203 . 1 1 22 22 LYS HD3 H 1 1.554 0.030 . 2 . . . . 22 LYS HD3 . 10039 1 204 . 1 1 22 22 LYS HE2 H 1 2.854 0.030 . 1 . . . . 22 LYS HE2 . 10039 1 205 . 1 1 22 22 LYS HE3 H 1 2.854 0.030 . 1 . . . . 22 LYS HE3 . 10039 1 206 . 1 1 22 22 LYS C C 13 174.606 0.300 . 1 . . . . 22 LYS C . 10039 1 207 . 1 1 22 22 LYS CA C 13 53.390 0.300 . 1 . . . . 22 LYS CA . 10039 1 208 . 1 1 22 22 LYS CB C 13 31.581 0.300 . 1 . . . . 22 LYS CB . 10039 1 209 . 1 1 22 22 LYS CG C 13 24.845 0.300 . 1 . . . . 22 LYS CG . 10039 1 210 . 1 1 22 22 LYS CD C 13 28.420 0.300 . 1 . . . . 22 LYS CD . 10039 1 211 . 1 1 22 22 LYS N N 15 120.139 0.300 . 1 . . . . 22 LYS N . 10039 1 212 . 1 1 23 23 PRO HA H 1 4.302 0.030 . 1 . . . . 23 PRO HA . 10039 1 213 . 1 1 23 23 PRO HB2 H 1 2.353 0.030 . 2 . . . . 23 PRO HB2 . 10039 1 214 . 1 1 23 23 PRO HB3 H 1 1.831 0.030 . 2 . . . . 23 PRO HB3 . 10039 1 215 . 1 1 23 23 PRO HG2 H 1 2.001 0.030 . 1 . . . . 23 PRO HG2 . 10039 1 216 . 1 1 23 23 PRO HG3 H 1 2.001 0.030 . 1 . . . . 23 PRO HG3 . 10039 1 217 . 1 1 23 23 PRO HD2 H 1 3.718 0.030 . 2 . . . . 23 PRO HD2 . 10039 1 218 . 1 1 23 23 PRO HD3 H 1 3.546 0.030 . 2 . . . . 23 PRO HD3 . 10039 1 219 . 1 1 23 23 PRO C C 13 176.520 0.300 . 1 . . . . 23 PRO C . 10039 1 220 . 1 1 23 23 PRO CA C 13 63.164 0.300 . 1 . . . . 23 PRO CA . 10039 1 221 . 1 1 23 23 PRO CB C 13 32.667 0.300 . 1 . . . . 23 PRO CB . 10039 1 222 . 1 1 23 23 PRO CG C 13 27.652 0.300 . 1 . . . . 23 PRO CG . 10039 1 223 . 1 1 23 23 PRO CD C 13 50.674 0.300 . 1 . . . . 23 PRO CD . 10039 1 224 . 1 1 24 24 TRP H H 1 8.480 0.030 . 1 . . . . 24 TRP H . 10039 1 225 . 1 1 24 24 TRP HA H 1 4.758 0.030 . 1 . . . . 24 TRP HA . 10039 1 226 . 1 1 24 24 TRP HB2 H 1 3.144 0.030 . 1 . . . . 24 TRP HB2 . 10039 1 227 . 1 1 24 24 TRP HB3 H 1 3.144 0.030 . 1 . . . . 24 TRP HB3 . 10039 1 228 . 1 1 24 24 TRP HD1 H 1 7.291 0.030 . 1 . . . . 24 TRP HD1 . 10039 1 229 . 1 1 24 24 TRP HE1 H 1 10.052 0.030 . 1 . . . . 24 TRP HE1 . 10039 1 230 . 1 1 24 24 TRP HE3 H 1 7.145 0.030 . 1 . . . . 24 TRP HE3 . 10039 1 231 . 1 1 24 24 TRP HZ2 H 1 7.383 0.030 . 1 . . . . 24 TRP HZ2 . 10039 1 232 . 1 1 24 24 TRP HZ3 H 1 6.718 0.030 . 1 . . . . 24 TRP HZ3 . 10039 1 233 . 1 1 24 24 TRP HH2 H 1 6.814 0.030 . 1 . . . . 24 TRP HH2 . 10039 1 234 . 1 1 24 24 TRP C C 13 177.501 0.300 . 1 . . . . 24 TRP C . 10039 1 235 . 1 1 24 24 TRP CA C 13 56.425 0.300 . 1 . . . . 24 TRP CA . 10039 1 236 . 1 1 24 24 TRP CB C 13 31.640 0.300 . 1 . . . . 24 TRP CB . 10039 1 237 . 1 1 24 24 TRP CD1 C 13 128.767 0.300 . 1 . . . . 24 TRP CD1 . 10039 1 238 . 1 1 24 24 TRP CE3 C 13 120.255 0.300 . 1 . . . . 24 TRP CE3 . 10039 1 239 . 1 1 24 24 TRP CZ2 C 13 114.392 0.300 . 1 . . . . 24 TRP CZ2 . 10039 1 240 . 1 1 24 24 TRP CZ3 C 13 122.449 0.300 . 1 . . . . 24 TRP CZ3 . 10039 1 241 . 1 1 24 24 TRP CH2 C 13 123.995 0.300 . 1 . . . . 24 TRP CH2 . 10039 1 242 . 1 1 24 24 TRP N N 15 120.476 0.300 . 1 . . . . 24 TRP N . 10039 1 243 . 1 1 24 24 TRP NE1 N 15 129.807 0.300 . 1 . . . . 24 TRP NE1 . 10039 1 244 . 1 1 25 25 LYS H H 1 9.196 0.030 . 1 . . . . 25 LYS H . 10039 1 245 . 1 1 25 25 LYS HA H 1 4.883 0.030 . 1 . . . . 25 LYS HA . 10039 1 246 . 1 1 25 25 LYS HB2 H 1 1.864 0.030 . 1 . . . . 25 LYS HB2 . 10039 1 247 . 1 1 25 25 LYS HB3 H 1 1.864 0.030 . 1 . . . . 25 LYS HB3 . 10039 1 248 . 1 1 25 25 LYS HG2 H 1 1.594 0.030 . 2 . . . . 25 LYS HG2 . 10039 1 249 . 1 1 25 25 LYS HG3 H 1 1.486 0.030 . 2 . . . . 25 LYS HG3 . 10039 1 250 . 1 1 25 25 LYS HD2 H 1 1.782 0.030 . 1 . . . . 25 LYS HD2 . 10039 1 251 . 1 1 25 25 LYS HD3 H 1 1.782 0.030 . 1 . . . . 25 LYS HD3 . 10039 1 252 . 1 1 25 25 LYS HE2 H 1 3.011 0.030 . 1 . . . . 25 LYS HE2 . 10039 1 253 . 1 1 25 25 LYS HE3 H 1 3.011 0.030 . 1 . . . . 25 LYS HE3 . 10039 1 254 . 1 1 25 25 LYS C C 13 174.909 0.300 . 1 . . . . 25 LYS C . 10039 1 255 . 1 1 25 25 LYS CA C 13 55.031 0.300 . 1 . . . . 25 LYS CA . 10039 1 256 . 1 1 25 25 LYS CB C 13 35.463 0.300 . 1 . . . . 25 LYS CB . 10039 1 257 . 1 1 25 25 LYS CG C 13 25.265 0.300 . 1 . . . . 25 LYS CG . 10039 1 258 . 1 1 25 25 LYS CD C 13 29.050 0.300 . 1 . . . . 25 LYS CD . 10039 1 259 . 1 1 25 25 LYS CE C 13 42.288 0.300 . 1 . . . . 25 LYS CE . 10039 1 260 . 1 1 25 25 LYS N N 15 122.500 0.300 . 1 . . . . 25 LYS N . 10039 1 261 . 1 1 26 26 HIS H H 1 9.266 0.030 . 1 . . . . 26 HIS H . 10039 1 262 . 1 1 26 26 HIS HA H 1 4.869 0.030 . 1 . . . . 26 HIS HA . 10039 1 263 . 1 1 26 26 HIS HB2 H 1 3.373 0.030 . 2 . . . . 26 HIS HB2 . 10039 1 264 . 1 1 26 26 HIS HB3 H 1 2.781 0.030 . 2 . . . . 26 HIS HB3 . 10039 1 265 . 1 1 26 26 HIS HD2 H 1 5.390 0.030 . 1 . . . . 26 HIS HD2 . 10039 1 266 . 1 1 26 26 HIS HE1 H 1 7.539 0.030 . 1 . . . . 26 HIS HE1 . 10039 1 267 . 1 1 26 26 HIS C C 13 173.528 0.300 . 1 . . . . 26 HIS C . 10039 1 268 . 1 1 26 26 HIS CA C 13 55.790 0.300 . 1 . . . . 26 HIS CA . 10039 1 269 . 1 1 26 26 HIS CB C 13 29.603 0.300 . 1 . . . . 26 HIS CB . 10039 1 270 . 1 1 26 26 HIS CD2 C 13 118.451 0.300 . 1 . . . . 26 HIS CD2 . 10039 1 271 . 1 1 26 26 HIS CE1 C 13 135.859 0.300 . 1 . . . . 26 HIS CE1 . 10039 1 272 . 1 1 26 26 HIS N N 15 126.462 0.300 . 1 . . . . 26 HIS N . 10039 1 273 . 1 1 27 27 LEU H H 1 8.552 0.030 . 1 . . . . 27 LEU H . 10039 1 274 . 1 1 27 27 LEU HA H 1 4.800 0.030 . 1 . . . . 27 LEU HA . 10039 1 275 . 1 1 27 27 LEU HB2 H 1 1.565 0.030 . 2 . . . . 27 LEU HB2 . 10039 1 276 . 1 1 27 27 LEU HB3 H 1 1.137 0.030 . 2 . . . . 27 LEU HB3 . 10039 1 277 . 1 1 27 27 LEU HG H 1 1.392 0.030 . 1 . . . . 27 LEU HG . 10039 1 278 . 1 1 27 27 LEU HD11 H 1 0.724 0.030 . 1 . . . . 27 LEU HD1 . 10039 1 279 . 1 1 27 27 LEU HD12 H 1 0.724 0.030 . 1 . . . . 27 LEU HD1 . 10039 1 280 . 1 1 27 27 LEU HD13 H 1 0.724 0.030 . 1 . . . . 27 LEU HD1 . 10039 1 281 . 1 1 27 27 LEU HD21 H 1 0.888 0.030 . 1 . . . . 27 LEU HD2 . 10039 1 282 . 1 1 27 27 LEU HD22 H 1 0.888 0.030 . 1 . . . . 27 LEU HD2 . 10039 1 283 . 1 1 27 27 LEU HD23 H 1 0.888 0.030 . 1 . . . . 27 LEU HD2 . 10039 1 284 . 1 1 27 27 LEU C C 13 172.171 0.300 . 1 . . . . 27 LEU C . 10039 1 285 . 1 1 27 27 LEU CA C 13 53.849 0.300 . 1 . . . . 27 LEU CA . 10039 1 286 . 1 1 27 27 LEU CB C 13 46.316 0.300 . 1 . . . . 27 LEU CB . 10039 1 287 . 1 1 27 27 LEU CG C 13 26.871 0.300 . 1 . . . . 27 LEU CG . 10039 1 288 . 1 1 27 27 LEU CD1 C 13 26.200 0.300 . 2 . . . . 27 LEU CD1 . 10039 1 289 . 1 1 27 27 LEU CD2 C 13 23.409 0.300 . 2 . . . . 27 LEU CD2 . 10039 1 290 . 1 1 27 27 LEU N N 15 129.494 0.300 . 1 . . . . 27 LEU N . 10039 1 291 . 1 1 28 28 TRP H H 1 8.006 0.030 . 1 . . . . 28 TRP H . 10039 1 292 . 1 1 28 28 TRP HA H 1 4.371 0.030 . 1 . . . . 28 TRP HA . 10039 1 293 . 1 1 28 28 TRP HB2 H 1 2.560 0.030 . 2 . . . . 28 TRP HB2 . 10039 1 294 . 1 1 28 28 TRP HB3 H 1 2.228 0.030 . 2 . . . . 28 TRP HB3 . 10039 1 295 . 1 1 28 28 TRP HD1 H 1 6.285 0.030 . 1 . . . . 28 TRP HD1 . 10039 1 296 . 1 1 28 28 TRP HE1 H 1 9.471 0.030 . 1 . . . . 28 TRP HE1 . 10039 1 297 . 1 1 28 28 TRP HE3 H 1 5.441 0.030 . 1 . . . . 28 TRP HE3 . 10039 1 298 . 1 1 28 28 TRP HZ2 H 1 7.171 0.030 . 1 . . . . 28 TRP HZ2 . 10039 1 299 . 1 1 28 28 TRP HZ3 H 1 6.772 0.030 . 1 . . . . 28 TRP HZ3 . 10039 1 300 . 1 1 28 28 TRP HH2 H 1 7.038 0.030 . 1 . . . . 28 TRP HH2 . 10039 1 301 . 1 1 28 28 TRP C C 13 172.934 0.300 . 1 . . . . 28 TRP C . 10039 1 302 . 1 1 28 28 TRP CA C 13 56.019 0.300 . 1 . . . . 28 TRP CA . 10039 1 303 . 1 1 28 28 TRP CB C 13 30.365 0.300 . 1 . . . . 28 TRP CB . 10039 1 304 . 1 1 28 28 TRP CD1 C 13 126.544 0.300 . 1 . . . . 28 TRP CD1 . 10039 1 305 . 1 1 28 28 TRP CE3 C 13 120.462 0.300 . 1 . . . . 28 TRP CE3 . 10039 1 306 . 1 1 28 28 TRP CZ2 C 13 113.872 0.300 . 1 . . . . 28 TRP CZ2 . 10039 1 307 . 1 1 28 28 TRP CZ3 C 13 122.159 0.300 . 1 . . . . 28 TRP CZ3 . 10039 1 308 . 1 1 28 28 TRP CH2 C 13 124.028 0.300 . 1 . . . . 28 TRP CH2 . 10039 1 309 . 1 1 28 28 TRP N N 15 120.891 0.300 . 1 . . . . 28 TRP N . 10039 1 310 . 1 1 28 28 TRP NE1 N 15 128.732 0.300 . 1 . . . . 28 TRP NE1 . 10039 1 311 . 1 1 29 29 PHE H H 1 8.226 0.030 . 1 . . . . 29 PHE H . 10039 1 312 . 1 1 29 29 PHE HA H 1 5.602 0.030 . 1 . . . . 29 PHE HA . 10039 1 313 . 1 1 29 29 PHE HB2 H 1 2.698 0.030 . 2 . . . . 29 PHE HB2 . 10039 1 314 . 1 1 29 29 PHE HB3 H 1 2.544 0.030 . 2 . . . . 29 PHE HB3 . 10039 1 315 . 1 1 29 29 PHE HD1 H 1 7.041 0.030 . 1 . . . . 29 PHE HD1 . 10039 1 316 . 1 1 29 29 PHE HD2 H 1 7.041 0.030 . 1 . . . . 29 PHE HD2 . 10039 1 317 . 1 1 29 29 PHE HE1 H 1 7.393 0.030 . 1 . . . . 29 PHE HE1 . 10039 1 318 . 1 1 29 29 PHE HE2 H 1 7.393 0.030 . 1 . . . . 29 PHE HE2 . 10039 1 319 . 1 1 29 29 PHE HZ H 1 6.869 0.030 . 1 . . . . 29 PHE HZ . 10039 1 320 . 1 1 29 29 PHE C C 13 174.715 0.300 . 1 . . . . 29 PHE C . 10039 1 321 . 1 1 29 29 PHE CA C 13 56.654 0.300 . 1 . . . . 29 PHE CA . 10039 1 322 . 1 1 29 29 PHE CB C 13 43.151 0.300 . 1 . . . . 29 PHE CB . 10039 1 323 . 1 1 29 29 PHE CD1 C 13 133.266 0.300 . 1 . . . . 29 PHE CD1 . 10039 1 324 . 1 1 29 29 PHE CD2 C 13 133.266 0.300 . 1 . . . . 29 PHE CD2 . 10039 1 325 . 1 1 29 29 PHE CE1 C 13 132.075 0.300 . 1 . . . . 29 PHE CE1 . 10039 1 326 . 1 1 29 29 PHE CE2 C 13 132.075 0.300 . 1 . . . . 29 PHE CE2 . 10039 1 327 . 1 1 29 29 PHE CZ C 13 128.599 0.300 . 1 . . . . 29 PHE CZ . 10039 1 328 . 1 1 29 29 PHE N N 15 124.377 0.300 . 1 . . . . 29 PHE N . 10039 1 329 . 1 1 30 30 VAL H H 1 8.826 0.030 . 1 . . . . 30 VAL H . 10039 1 330 . 1 1 30 30 VAL HA H 1 4.800 0.030 . 1 . . . . 30 VAL HA . 10039 1 331 . 1 1 30 30 VAL HB H 1 2.159 0.030 . 1 . . . . 30 VAL HB . 10039 1 332 . 1 1 30 30 VAL HG11 H 1 0.942 0.030 . 1 . . . . 30 VAL HG1 . 10039 1 333 . 1 1 30 30 VAL HG12 H 1 0.942 0.030 . 1 . . . . 30 VAL HG1 . 10039 1 334 . 1 1 30 30 VAL HG13 H 1 0.942 0.030 . 1 . . . . 30 VAL HG1 . 10039 1 335 . 1 1 30 30 VAL HG21 H 1 0.985 0.030 . 1 . . . . 30 VAL HG2 . 10039 1 336 . 1 1 30 30 VAL HG22 H 1 0.985 0.030 . 1 . . . . 30 VAL HG2 . 10039 1 337 . 1 1 30 30 VAL HG23 H 1 0.985 0.030 . 1 . . . . 30 VAL HG2 . 10039 1 338 . 1 1 30 30 VAL C C 13 176.253 0.300 . 1 . . . . 30 VAL C . 10039 1 339 . 1 1 30 30 VAL CA C 13 60.852 0.300 . 1 . . . . 30 VAL CA . 10039 1 340 . 1 1 30 30 VAL CB C 13 37.806 0.300 . 1 . . . . 30 VAL CB . 10039 1 341 . 1 1 30 30 VAL CG1 C 13 22.248 0.300 . 2 . . . . 30 VAL CG1 . 10039 1 342 . 1 1 30 30 VAL CG2 C 13 21.403 0.300 . 2 . . . . 30 VAL CG2 . 10039 1 343 . 1 1 30 30 VAL N N 15 117.714 0.300 . 1 . . . . 30 VAL N . 10039 1 344 . 1 1 31 31 ILE H H 1 8.754 0.030 . 1 . . . . 31 ILE H . 10039 1 345 . 1 1 31 31 ILE HA H 1 5.174 0.030 . 1 . . . . 31 ILE HA . 10039 1 346 . 1 1 31 31 ILE HB H 1 1.334 0.030 . 1 . . . . 31 ILE HB . 10039 1 347 . 1 1 31 31 ILE HG12 H 1 0.408 0.030 . 2 . . . . 31 ILE HG12 . 10039 1 348 . 1 1 31 31 ILE HG13 H 1 1.464 0.030 . 2 . . . . 31 ILE HG13 . 10039 1 349 . 1 1 31 31 ILE HG21 H 1 0.554 0.030 . 1 . . . . 31 ILE HG2 . 10039 1 350 . 1 1 31 31 ILE HG22 H 1 0.554 0.030 . 1 . . . . 31 ILE HG2 . 10039 1 351 . 1 1 31 31 ILE HG23 H 1 0.554 0.030 . 1 . . . . 31 ILE HG2 . 10039 1 352 . 1 1 31 31 ILE HD11 H 1 -0.135 0.030 . 1 . . . . 31 ILE HD1 . 10039 1 353 . 1 1 31 31 ILE HD12 H 1 -0.135 0.030 . 1 . . . . 31 ILE HD1 . 10039 1 354 . 1 1 31 31 ILE HD13 H 1 -0.135 0.030 . 1 . . . . 31 ILE HD1 . 10039 1 355 . 1 1 31 31 ILE C C 13 175.248 0.300 . 1 . . . . 31 ILE C . 10039 1 356 . 1 1 31 31 ILE CA C 13 60.605 0.300 . 1 . . . . 31 ILE CA . 10039 1 357 . 1 1 31 31 ILE CB C 13 39.616 0.300 . 1 . . . . 31 ILE CB . 10039 1 358 . 1 1 31 31 ILE CG1 C 13 29.398 0.300 . 1 . . . . 31 ILE CG1 . 10039 1 359 . 1 1 31 31 ILE CG2 C 13 16.881 0.300 . 1 . . . . 31 ILE CG2 . 10039 1 360 . 1 1 31 31 ILE CD1 C 13 13.331 0.300 . 1 . . . . 31 ILE CD1 . 10039 1 361 . 1 1 31 31 ILE N N 15 125.739 0.300 . 1 . . . . 31 ILE N . 10039 1 362 . 1 1 32 32 LYS H H 1 8.907 0.030 . 1 . . . . 32 LYS H . 10039 1 363 . 1 1 32 32 LYS HA H 1 4.753 0.030 . 1 . . . . 32 LYS HA . 10039 1 364 . 1 1 32 32 LYS HB2 H 1 1.862 0.030 . 2 . . . . 32 LYS HB2 . 10039 1 365 . 1 1 32 32 LYS HB3 H 1 1.678 0.030 . 2 . . . . 32 LYS HB3 . 10039 1 366 . 1 1 32 32 LYS HG2 H 1 1.391 0.030 . 2 . . . . 32 LYS HG2 . 10039 1 367 . 1 1 32 32 LYS HG3 H 1 1.313 0.030 . 2 . . . . 32 LYS HG3 . 10039 1 368 . 1 1 32 32 LYS HD2 H 1 1.535 0.030 . 1 . . . . 32 LYS HD2 . 10039 1 369 . 1 1 32 32 LYS HD3 H 1 1.535 0.030 . 1 . . . . 32 LYS HD3 . 10039 1 370 . 1 1 32 32 LYS HE2 H 1 2.772 0.030 . 1 . . . . 32 LYS HE2 . 10039 1 371 . 1 1 32 32 LYS HE3 H 1 2.772 0.030 . 1 . . . . 32 LYS HE3 . 10039 1 372 . 1 1 32 32 LYS C C 13 175.854 0.300 . 1 . . . . 32 LYS C . 10039 1 373 . 1 1 32 32 LYS CA C 13 55.578 0.300 . 1 . . . . 32 LYS CA . 10039 1 374 . 1 1 32 32 LYS CB C 13 35.874 0.300 . 1 . . . . 32 LYS CB . 10039 1 375 . 1 1 32 32 LYS CG C 13 24.710 0.300 . 1 . . . . 32 LYS CG . 10039 1 376 . 1 1 32 32 LYS CD C 13 29.693 0.300 . 1 . . . . 32 LYS CD . 10039 1 377 . 1 1 32 32 LYS CE C 13 42.041 0.300 . 1 . . . . 32 LYS CE . 10039 1 378 . 1 1 32 32 LYS N N 15 126.538 0.300 . 1 . . . . 32 LYS N . 10039 1 379 . 1 1 33 33 ASN H H 1 9.733 0.030 . 1 . . . . 33 ASN H . 10039 1 380 . 1 1 33 33 ASN HA H 1 4.414 0.030 . 1 . . . . 33 ASN HA . 10039 1 381 . 1 1 33 33 ASN HB2 H 1 2.759 0.030 . 2 . . . . 33 ASN HB2 . 10039 1 382 . 1 1 33 33 ASN HB3 H 1 3.056 0.030 . 2 . . . . 33 ASN HB3 . 10039 1 383 . 1 1 33 33 ASN HD21 H 1 7.625 0.030 . 2 . . . . 33 ASN HD21 . 10039 1 384 . 1 1 33 33 ASN HD22 H 1 6.967 0.030 . 2 . . . . 33 ASN HD22 . 10039 1 385 . 1 1 33 33 ASN C C 13 173.782 0.300 . 1 . . . . 33 ASN C . 10039 1 386 . 1 1 33 33 ASN CA C 13 54.343 0.300 . 1 . . . . 33 ASN CA . 10039 1 387 . 1 1 33 33 ASN CB C 13 37.622 0.300 . 1 . . . . 33 ASN CB . 10039 1 388 . 1 1 33 33 ASN N N 15 127.195 0.300 . 1 . . . . 33 ASN N . 10039 1 389 . 1 1 33 33 ASN ND2 N 15 112.316 0.300 . 1 . . . . 33 ASN ND2 . 10039 1 390 . 1 1 34 34 LYS H H 1 8.964 0.030 . 1 . . . . 34 LYS H . 10039 1 391 . 1 1 34 34 LYS HA H 1 3.542 0.030 . 1 . . . . 34 LYS HA . 10039 1 392 . 1 1 34 34 LYS HB2 H 1 2.380 0.030 . 2 . . . . 34 LYS HB2 . 10039 1 393 . 1 1 34 34 LYS HB3 H 1 2.230 0.030 . 2 . . . . 34 LYS HB3 . 10039 1 394 . 1 1 34 34 LYS HG2 H 1 1.332 0.030 . 2 . . . . 34 LYS HG2 . 10039 1 395 . 1 1 34 34 LYS HG3 H 1 1.289 0.030 . 2 . . . . 34 LYS HG3 . 10039 1 396 . 1 1 34 34 LYS HD2 H 1 1.795 0.030 . 2 . . . . 34 LYS HD2 . 10039 1 397 . 1 1 34 34 LYS HD3 H 1 1.713 0.030 . 2 . . . . 34 LYS HD3 . 10039 1 398 . 1 1 34 34 LYS HE2 H 1 2.984 0.030 . 2 . . . . 34 LYS HE2 . 10039 1 399 . 1 1 34 34 LYS HE3 H 1 3.064 0.030 . 2 . . . . 34 LYS HE3 . 10039 1 400 . 1 1 34 34 LYS C C 13 174.388 0.300 . 1 . . . . 34 LYS C . 10039 1 401 . 1 1 34 34 LYS CA C 13 58.159 0.300 . 1 . . . . 34 LYS CA . 10039 1 402 . 1 1 34 34 LYS CB C 13 28.873 0.300 . 1 . . . . 34 LYS CB . 10039 1 403 . 1 1 34 34 LYS CG C 13 25.925 0.300 . 1 . . . . 34 LYS CG . 10039 1 404 . 1 1 34 34 LYS CD C 13 29.132 0.300 . 1 . . . . 34 LYS CD . 10039 1 405 . 1 1 34 34 LYS CE C 13 43.028 0.300 . 1 . . . . 34 LYS CE . 10039 1 406 . 1 1 34 34 LYS N N 15 106.468 0.300 . 1 . . . . 34 LYS N . 10039 1 407 . 1 1 35 35 VAL H H 1 7.806 0.030 . 1 . . . . 35 VAL H . 10039 1 408 . 1 1 35 35 VAL HA H 1 4.120 0.030 . 1 . . . . 35 VAL HA . 10039 1 409 . 1 1 35 35 VAL HB H 1 2.021 0.030 . 1 . . . . 35 VAL HB . 10039 1 410 . 1 1 35 35 VAL HG11 H 1 0.885 0.030 . 1 . . . . 35 VAL HG1 . 10039 1 411 . 1 1 35 35 VAL HG12 H 1 0.885 0.030 . 1 . . . . 35 VAL HG1 . 10039 1 412 . 1 1 35 35 VAL HG13 H 1 0.885 0.030 . 1 . . . . 35 VAL HG1 . 10039 1 413 . 1 1 35 35 VAL HG21 H 1 -0.035 0.030 . 1 . . . . 35 VAL HG2 . 10039 1 414 . 1 1 35 35 VAL HG22 H 1 -0.035 0.030 . 1 . . . . 35 VAL HG2 . 10039 1 415 . 1 1 35 35 VAL HG23 H 1 -0.035 0.030 . 1 . . . . 35 VAL HG2 . 10039 1 416 . 1 1 35 35 VAL C C 13 172.850 0.300 . 1 . . . . 35 VAL C . 10039 1 417 . 1 1 35 35 VAL CA C 13 61.382 0.300 . 1 . . . . 35 VAL CA . 10039 1 418 . 1 1 35 35 VAL CB C 13 34.580 0.300 . 1 . . . . 35 VAL CB . 10039 1 419 . 1 1 35 35 VAL CG1 C 13 21.780 0.300 . 2 . . . . 35 VAL CG1 . 10039 1 420 . 1 1 35 35 VAL CG2 C 13 20.939 0.300 . 2 . . . . 35 VAL CG2 . 10039 1 421 . 1 1 35 35 VAL N N 15 120.826 0.300 . 1 . . . . 35 VAL N . 10039 1 422 . 1 1 36 36 LEU H H 1 8.002 0.030 . 1 . . . . 36 LEU H . 10039 1 423 . 1 1 36 36 LEU HA H 1 4.914 0.030 . 1 . . . . 36 LEU HA . 10039 1 424 . 1 1 36 36 LEU HB2 H 1 1.938 0.030 . 2 . . . . 36 LEU HB2 . 10039 1 425 . 1 1 36 36 LEU HB3 H 1 1.067 0.030 . 2 . . . . 36 LEU HB3 . 10039 1 426 . 1 1 36 36 LEU HG H 1 1.524 0.030 . 1 . . . . 36 LEU HG . 10039 1 427 . 1 1 36 36 LEU HD11 H 1 0.855 0.030 . 1 . . . . 36 LEU HD1 . 10039 1 428 . 1 1 36 36 LEU HD12 H 1 0.855 0.030 . 1 . . . . 36 LEU HD1 . 10039 1 429 . 1 1 36 36 LEU HD13 H 1 0.855 0.030 . 1 . . . . 36 LEU HD1 . 10039 1 430 . 1 1 36 36 LEU HD21 H 1 0.826 0.030 . 1 . . . . 36 LEU HD2 . 10039 1 431 . 1 1 36 36 LEU HD22 H 1 0.826 0.030 . 1 . . . . 36 LEU HD2 . 10039 1 432 . 1 1 36 36 LEU HD23 H 1 0.826 0.030 . 1 . . . . 36 LEU HD2 . 10039 1 433 . 1 1 36 36 LEU C C 13 175.527 0.300 . 1 . . . . 36 LEU C . 10039 1 434 . 1 1 36 36 LEU CA C 13 53.249 0.300 . 1 . . . . 36 LEU CA . 10039 1 435 . 1 1 36 36 LEU CB C 13 45.166 0.300 . 1 . . . . 36 LEU CB . 10039 1 436 . 1 1 36 36 LEU CG C 13 26.980 0.300 . 1 . . . . 36 LEU CG . 10039 1 437 . 1 1 36 36 LEU CD1 C 13 25.925 0.300 . 2 . . . . 36 LEU CD1 . 10039 1 438 . 1 1 36 36 LEU CD2 C 13 23.916 0.300 . 2 . . . . 36 LEU CD2 . 10039 1 439 . 1 1 36 36 LEU N N 15 125.210 0.300 . 1 . . . . 36 LEU N . 10039 1 440 . 1 1 37 37 TYR H H 1 10.317 0.030 . 1 . . . . 37 TYR H . 10039 1 441 . 1 1 37 37 TYR HA H 1 4.924 0.030 . 1 . . . . 37 TYR HA . 10039 1 442 . 1 1 37 37 TYR HB2 H 1 3.192 0.030 . 2 . . . . 37 TYR HB2 . 10039 1 443 . 1 1 37 37 TYR HB3 H 1 2.739 0.030 . 2 . . . . 37 TYR HB3 . 10039 1 444 . 1 1 37 37 TYR HD1 H 1 7.041 0.030 . 1 . . . . 37 TYR HD1 . 10039 1 445 . 1 1 37 37 TYR HD2 H 1 7.041 0.030 . 1 . . . . 37 TYR HD2 . 10039 1 446 . 1 1 37 37 TYR HE1 H 1 6.877 0.030 . 1 . . . . 37 TYR HE1 . 10039 1 447 . 1 1 37 37 TYR HE2 H 1 6.877 0.030 . 1 . . . . 37 TYR HE2 . 10039 1 448 . 1 1 37 37 TYR C C 13 174.291 0.300 . 1 . . . . 37 TYR C . 10039 1 449 . 1 1 37 37 TYR CA C 13 57.925 0.300 . 1 . . . . 37 TYR CA . 10039 1 450 . 1 1 37 37 TYR CB C 13 42.205 0.300 . 1 . . . . 37 TYR CB . 10039 1 451 . 1 1 37 37 TYR CD1 C 13 133.501 0.300 . 1 . . . . 37 TYR CD1 . 10039 1 452 . 1 1 37 37 TYR CD2 C 13 133.501 0.300 . 1 . . . . 37 TYR CD2 . 10039 1 453 . 1 1 37 37 TYR CE1 C 13 118.141 0.300 . 1 . . . . 37 TYR CE1 . 10039 1 454 . 1 1 37 37 TYR CE2 C 13 118.141 0.300 . 1 . . . . 37 TYR CE2 . 10039 1 455 . 1 1 37 37 TYR N N 15 131.581 0.300 . 1 . . . . 37 TYR N . 10039 1 456 . 1 1 38 38 THR H H 1 8.149 0.030 . 1 . . . . 38 THR H . 10039 1 457 . 1 1 38 38 THR HA H 1 4.480 0.030 . 1 . . . . 38 THR HA . 10039 1 458 . 1 1 38 38 THR HB H 1 3.667 0.030 . 1 . . . . 38 THR HB . 10039 1 459 . 1 1 38 38 THR HG21 H 1 0.824 0.030 . 1 . . . . 38 THR HG2 . 10039 1 460 . 1 1 38 38 THR HG22 H 1 0.824 0.030 . 1 . . . . 38 THR HG2 . 10039 1 461 . 1 1 38 38 THR HG23 H 1 0.824 0.030 . 1 . . . . 38 THR HG2 . 10039 1 462 . 1 1 38 38 THR C C 13 172.874 0.300 . 1 . . . . 38 THR C . 10039 1 463 . 1 1 38 38 THR CA C 13 62.265 0.300 . 1 . . . . 38 THR CA . 10039 1 464 . 1 1 38 38 THR CB C 13 70.326 0.300 . 1 . . . . 38 THR CB . 10039 1 465 . 1 1 38 38 THR CG2 C 13 22.540 0.300 . 1 . . . . 38 THR CG2 . 10039 1 466 . 1 1 38 38 THR N N 15 118.466 0.300 . 1 . . . . 38 THR N . 10039 1 467 . 1 1 39 39 TYR H H 1 9.912 0.030 . 1 . . . . 39 TYR H . 10039 1 468 . 1 1 39 39 TYR HA H 1 4.855 0.030 . 1 . . . . 39 TYR HA . 10039 1 469 . 1 1 39 39 TYR HB2 H 1 3.279 0.030 . 2 . . . . 39 TYR HB2 . 10039 1 470 . 1 1 39 39 TYR HB3 H 1 2.928 0.030 . 2 . . . . 39 TYR HB3 . 10039 1 471 . 1 1 39 39 TYR HD1 H 1 7.041 0.030 . 1 . . . . 39 TYR HD1 . 10039 1 472 . 1 1 39 39 TYR HD2 H 1 7.041 0.030 . 1 . . . . 39 TYR HD2 . 10039 1 473 . 1 1 39 39 TYR HE1 H 1 6.483 0.030 . 1 . . . . 39 TYR HE1 . 10039 1 474 . 1 1 39 39 TYR HE2 H 1 6.483 0.030 . 1 . . . . 39 TYR HE2 . 10039 1 475 . 1 1 39 39 TYR C C 13 174.146 0.300 . 1 . . . . 39 TYR C . 10039 1 476 . 1 1 39 39 TYR CA C 13 56.089 0.300 . 1 . . . . 39 TYR CA . 10039 1 477 . 1 1 39 39 TYR CB C 13 41.753 0.300 . 1 . . . . 39 TYR CB . 10039 1 478 . 1 1 39 39 TYR CD1 C 13 133.959 0.300 . 1 . . . . 39 TYR CD1 . 10039 1 479 . 1 1 39 39 TYR CD2 C 13 133.959 0.300 . 1 . . . . 39 TYR CD2 . 10039 1 480 . 1 1 39 39 TYR CE1 C 13 118.124 0.300 . 1 . . . . 39 TYR CE1 . 10039 1 481 . 1 1 39 39 TYR CE2 C 13 118.124 0.300 . 1 . . . . 39 TYR CE2 . 10039 1 482 . 1 1 39 39 TYR N N 15 125.507 0.300 . 1 . . . . 39 TYR N . 10039 1 483 . 1 1 40 40 ALA H H 1 8.885 0.030 . 1 . . . . 40 ALA H . 10039 1 484 . 1 1 40 40 ALA HA H 1 4.288 0.030 . 1 . . . . 40 ALA HA . 10039 1 485 . 1 1 40 40 ALA HB1 H 1 1.579 0.030 . 1 . . . . 40 ALA HB . 10039 1 486 . 1 1 40 40 ALA HB2 H 1 1.579 0.030 . 1 . . . . 40 ALA HB . 10039 1 487 . 1 1 40 40 ALA HB3 H 1 1.579 0.030 . 1 . . . . 40 ALA HB . 10039 1 488 . 1 1 40 40 ALA C C 13 177.840 0.300 . 1 . . . . 40 ALA C . 10039 1 489 . 1 1 40 40 ALA CA C 13 54.519 0.300 . 1 . . . . 40 ALA CA . 10039 1 490 . 1 1 40 40 ALA CB C 13 18.402 0.300 . 1 . . . . 40 ALA CB . 10039 1 491 . 1 1 40 40 ALA N N 15 123.059 0.300 . 1 . . . . 40 ALA N . 10039 1 492 . 1 1 41 41 ALA H H 1 7.753 0.030 . 1 . . . . 41 ALA H . 10039 1 493 . 1 1 41 41 ALA HA H 1 4.551 0.030 . 1 . . . . 41 ALA HA . 10039 1 494 . 1 1 41 41 ALA HB1 H 1 1.408 0.030 . 1 . . . . 41 ALA HB . 10039 1 495 . 1 1 41 41 ALA HB2 H 1 1.408 0.030 . 1 . . . . 41 ALA HB . 10039 1 496 . 1 1 41 41 ALA HB3 H 1 1.408 0.030 . 1 . . . . 41 ALA HB . 10039 1 497 . 1 1 41 41 ALA C C 13 176.350 0.300 . 1 . . . . 41 ALA C . 10039 1 498 . 1 1 41 41 ALA CA C 13 50.956 0.300 . 1 . . . . 41 ALA CA . 10039 1 499 . 1 1 41 41 ALA CB C 13 21.732 0.300 . 1 . . . . 41 ALA CB . 10039 1 500 . 1 1 41 41 ALA N N 15 116.658 0.300 . 1 . . . . 41 ALA N . 10039 1 501 . 1 1 42 42 SER H H 1 7.375 0.030 . 1 . . . . 42 SER H . 10039 1 502 . 1 1 42 42 SER HA H 1 1.661 0.030 . 1 . . . . 42 SER HA . 10039 1 503 . 1 1 42 42 SER HB2 H 1 1.793 0.030 . 2 . . . . 42 SER HB2 . 10039 1 504 . 1 1 42 42 SER HB3 H 1 2.063 0.030 . 2 . . . . 42 SER HB3 . 10039 1 505 . 1 1 42 42 SER C C 13 175.236 0.300 . 1 . . . . 42 SER C . 10039 1 506 . 1 1 42 42 SER CA C 13 60.059 0.300 . 1 . . . . 42 SER CA . 10039 1 507 . 1 1 42 42 SER CB C 13 61.117 0.300 . 1 . . . . 42 SER CB . 10039 1 508 . 1 1 42 42 SER N N 15 113.645 0.300 . 1 . . . . 42 SER N . 10039 1 509 . 1 1 43 43 GLU H H 1 7.661 0.030 . 1 . . . . 43 GLU H . 10039 1 510 . 1 1 43 43 GLU HA H 1 3.929 0.030 . 1 . . . . 43 GLU HA . 10039 1 511 . 1 1 43 43 GLU HB2 H 1 1.972 0.030 . 2 . . . . 43 GLU HB2 . 10039 1 512 . 1 1 43 43 GLU HB3 H 1 1.789 0.030 . 2 . . . . 43 GLU HB3 . 10039 1 513 . 1 1 43 43 GLU HG2 H 1 2.030 0.030 . 1 . . . . 43 GLU HG2 . 10039 1 514 . 1 1 43 43 GLU HG3 H 1 2.030 0.030 . 1 . . . . 43 GLU HG3 . 10039 1 515 . 1 1 43 43 GLU C C 13 176.302 0.300 . 1 . . . . 43 GLU C . 10039 1 516 . 1 1 43 43 GLU CA C 13 56.354 0.300 . 1 . . . . 43 GLU CA . 10039 1 517 . 1 1 43 43 GLU CB C 13 28.515 0.300 . 1 . . . . 43 GLU CB . 10039 1 518 . 1 1 43 43 GLU CG C 13 36.021 0.300 . 1 . . . . 43 GLU CG . 10039 1 519 . 1 1 43 43 GLU N N 15 117.456 0.300 . 1 . . . . 43 GLU N . 10039 1 520 . 1 1 44 44 ASP H H 1 7.104 0.030 . 1 . . . . 44 ASP H . 10039 1 521 . 1 1 44 44 ASP HA H 1 4.413 0.030 . 1 . . . . 44 ASP HA . 10039 1 522 . 1 1 44 44 ASP HB2 H 1 2.905 0.030 . 1 . . . . 44 ASP HB2 . 10039 1 523 . 1 1 44 44 ASP HB3 H 1 2.905 0.030 . 1 . . . . 44 ASP HB3 . 10039 1 524 . 1 1 44 44 ASP C C 13 176.047 0.300 . 1 . . . . 44 ASP C . 10039 1 525 . 1 1 44 44 ASP CA C 13 55.208 0.300 . 1 . . . . 44 ASP CA . 10039 1 526 . 1 1 44 44 ASP CB C 13 41.771 0.300 . 1 . . . . 44 ASP CB . 10039 1 527 . 1 1 44 44 ASP N N 15 121.684 0.300 . 1 . . . . 44 ASP N . 10039 1 528 . 1 1 45 45 VAL H H 1 8.081 0.030 . 1 . . . . 45 VAL H . 10039 1 529 . 1 1 45 45 VAL HA H 1 4.109 0.030 . 1 . . . . 45 VAL HA . 10039 1 530 . 1 1 45 45 VAL HB H 1 2.159 0.030 . 1 . . . . 45 VAL HB . 10039 1 531 . 1 1 45 45 VAL HG11 H 1 0.929 0.030 . 1 . . . . 45 VAL HG1 . 10039 1 532 . 1 1 45 45 VAL HG12 H 1 0.929 0.030 . 1 . . . . 45 VAL HG1 . 10039 1 533 . 1 1 45 45 VAL HG13 H 1 0.929 0.030 . 1 . . . . 45 VAL HG1 . 10039 1 534 . 1 1 45 45 VAL HG21 H 1 0.938 0.030 . 1 . . . . 45 VAL HG2 . 10039 1 535 . 1 1 45 45 VAL HG22 H 1 0.938 0.030 . 1 . . . . 45 VAL HG2 . 10039 1 536 . 1 1 45 45 VAL HG23 H 1 0.938 0.030 . 1 . . . . 45 VAL HG2 . 10039 1 537 . 1 1 45 45 VAL C C 13 176.229 0.300 . 1 . . . . 45 VAL C . 10039 1 538 . 1 1 45 45 VAL CA C 13 62.687 0.300 . 1 . . . . 45 VAL CA . 10039 1 539 . 1 1 45 45 VAL CB C 13 32.421 0.300 . 1 . . . . 45 VAL CB . 10039 1 540 . 1 1 45 45 VAL CG1 C 13 21.074 0.300 . 2 . . . . 45 VAL CG1 . 10039 1 541 . 1 1 45 45 VAL CG2 C 13 19.915 0.300 . 2 . . . . 45 VAL CG2 . 10039 1 542 . 1 1 45 45 VAL N N 15 115.147 0.300 . 1 . . . . 45 VAL N . 10039 1 543 . 1 1 46 46 ALA H H 1 8.075 0.030 . 1 . . . . 46 ALA H . 10039 1 544 . 1 1 46 46 ALA HA H 1 4.717 0.030 . 1 . . . . 46 ALA HA . 10039 1 545 . 1 1 46 46 ALA HB1 H 1 1.359 0.030 . 1 . . . . 46 ALA HB . 10039 1 546 . 1 1 46 46 ALA HB2 H 1 1.359 0.030 . 1 . . . . 46 ALA HB . 10039 1 547 . 1 1 46 46 ALA HB3 H 1 1.359 0.030 . 1 . . . . 46 ALA HB . 10039 1 548 . 1 1 46 46 ALA C C 13 175.624 0.300 . 1 . . . . 46 ALA C . 10039 1 549 . 1 1 46 46 ALA CA C 13 50.850 0.300 . 1 . . . . 46 ALA CA . 10039 1 550 . 1 1 46 46 ALA CB C 13 20.313 0.300 . 1 . . . . 46 ALA CB . 10039 1 551 . 1 1 46 46 ALA N N 15 124.596 0.300 . 1 . . . . 46 ALA N . 10039 1 552 . 1 1 47 47 ALA H H 1 8.484 0.030 . 1 . . . . 47 ALA H . 10039 1 553 . 1 1 47 47 ALA HA H 1 3.556 0.030 . 1 . . . . 47 ALA HA . 10039 1 554 . 1 1 47 47 ALA HB1 H 1 1.012 0.030 . 1 . . . . 47 ALA HB . 10039 1 555 . 1 1 47 47 ALA HB2 H 1 1.012 0.030 . 1 . . . . 47 ALA HB . 10039 1 556 . 1 1 47 47 ALA HB3 H 1 1.012 0.030 . 1 . . . . 47 ALA HB . 10039 1 557 . 1 1 47 47 ALA C C 13 178.531 0.300 . 1 . . . . 47 ALA C . 10039 1 558 . 1 1 47 47 ALA CA C 13 52.173 0.300 . 1 . . . . 47 ALA CA . 10039 1 559 . 1 1 47 47 ALA CB C 13 17.868 0.300 . 1 . . . . 47 ALA CB . 10039 1 560 . 1 1 47 47 ALA N N 15 125.481 0.300 . 1 . . . . 47 ALA N . 10039 1 561 . 1 1 48 48 LEU H H 1 9.221 0.030 . 1 . . . . 48 LEU H . 10039 1 562 . 1 1 48 48 LEU HA H 1 4.164 0.030 . 1 . . . . 48 LEU HA . 10039 1 563 . 1 1 48 48 LEU HB2 H 1 1.533 0.030 . 2 . . . . 48 LEU HB2 . 10039 1 564 . 1 1 48 48 LEU HB3 H 1 1.454 0.030 . 2 . . . . 48 LEU HB3 . 10039 1 565 . 1 1 48 48 LEU HG H 1 1.843 0.030 . 1 . . . . 48 LEU HG . 10039 1 566 . 1 1 48 48 LEU HD11 H 1 0.824 0.030 . 1 . . . . 48 LEU HD1 . 10039 1 567 . 1 1 48 48 LEU HD12 H 1 0.824 0.030 . 1 . . . . 48 LEU HD1 . 10039 1 568 . 1 1 48 48 LEU HD13 H 1 0.824 0.030 . 1 . . . . 48 LEU HD1 . 10039 1 569 . 1 1 48 48 LEU HD21 H 1 0.899 0.030 . 1 . . . . 48 LEU HD2 . 10039 1 570 . 1 1 48 48 LEU HD22 H 1 0.899 0.030 . 1 . . . . 48 LEU HD2 . 10039 1 571 . 1 1 48 48 LEU HD23 H 1 0.899 0.030 . 1 . . . . 48 LEU HD2 . 10039 1 572 . 1 1 48 48 LEU C C 13 178.022 0.300 . 1 . . . . 48 LEU C . 10039 1 573 . 1 1 48 48 LEU CA C 13 56.531 0.300 . 1 . . . . 48 LEU CA . 10039 1 574 . 1 1 48 48 LEU CB C 13 43.809 0.300 . 1 . . . . 48 LEU CB . 10039 1 575 . 1 1 48 48 LEU CG C 13 26.619 0.300 . 1 . . . . 48 LEU CG . 10039 1 576 . 1 1 48 48 LEU CD1 C 13 25.496 0.300 . 2 . . . . 48 LEU CD1 . 10039 1 577 . 1 1 48 48 LEU CD2 C 13 22.945 0.300 . 2 . . . . 48 LEU CD2 . 10039 1 578 . 1 1 48 48 LEU N N 15 122.867 0.300 . 1 . . . . 48 LEU N . 10039 1 579 . 1 1 49 49 GLU H H 1 7.436 0.030 . 1 . . . . 49 GLU H . 10039 1 580 . 1 1 49 49 GLU HA H 1 4.595 0.030 . 1 . . . . 49 GLU HA . 10039 1 581 . 1 1 49 49 GLU HB2 H 1 2.179 0.030 . 2 . . . . 49 GLU HB2 . 10039 1 582 . 1 1 49 49 GLU HB3 H 1 1.884 0.030 . 2 . . . . 49 GLU HB3 . 10039 1 583 . 1 1 49 49 GLU HG2 H 1 2.236 0.030 . 2 . . . . 49 GLU HG2 . 10039 1 584 . 1 1 49 49 GLU HG3 H 1 2.040 0.030 . 2 . . . . 49 GLU HG3 . 10039 1 585 . 1 1 49 49 GLU C C 13 173.806 0.300 . 1 . . . . 49 GLU C . 10039 1 586 . 1 1 49 49 GLU CA C 13 54.537 0.300 . 1 . . . . 49 GLU CA . 10039 1 587 . 1 1 49 49 GLU CB C 13 33.942 0.300 . 1 . . . . 49 GLU CB . 10039 1 588 . 1 1 49 49 GLU CG C 13 35.513 0.300 . 1 . . . . 49 GLU CG . 10039 1 589 . 1 1 49 49 GLU N N 15 112.913 0.300 . 1 . . . . 49 GLU N . 10039 1 590 . 1 1 50 50 SER H H 1 8.339 0.030 . 1 . . . . 50 SER H . 10039 1 591 . 1 1 50 50 SER HA H 1 4.952 0.030 . 1 . . . . 50 SER HA . 10039 1 592 . 1 1 50 50 SER HB2 H 1 3.583 0.030 . 2 . . . . 50 SER HB2 . 10039 1 593 . 1 1 50 50 SER HB3 H 1 3.238 0.030 . 2 . . . . 50 SER HB3 . 10039 1 594 . 1 1 50 50 SER C C 13 173.068 0.300 . 1 . . . . 50 SER C . 10039 1 595 . 1 1 50 50 SER CA C 13 57.025 0.300 . 1 . . . . 50 SER CA . 10039 1 596 . 1 1 50 50 SER CB C 13 66.050 0.300 . 1 . . . . 50 SER CB . 10039 1 597 . 1 1 50 50 SER N N 15 113.802 0.300 . 1 . . . . 50 SER N . 10039 1 598 . 1 1 51 51 GLN H H 1 8.649 0.030 . 1 . . . . 51 GLN H . 10039 1 599 . 1 1 51 51 GLN HA H 1 4.784 0.030 . 1 . . . . 51 GLN HA . 10039 1 600 . 1 1 51 51 GLN HB2 H 1 1.877 0.030 . 2 . . . . 51 GLN HB2 . 10039 1 601 . 1 1 51 51 GLN HB3 H 1 2.079 0.030 . 2 . . . . 51 GLN HB3 . 10039 1 602 . 1 1 51 51 GLN HG2 H 1 1.666 0.030 . 2 . . . . 51 GLN HG2 . 10039 1 603 . 1 1 51 51 GLN HG3 H 1 1.790 0.030 . 2 . . . . 51 GLN HG3 . 10039 1 604 . 1 1 51 51 GLN HE21 H 1 7.772 0.030 . 2 . . . . 51 GLN HE21 . 10039 1 605 . 1 1 51 51 GLN HE22 H 1 7.105 0.030 . 2 . . . . 51 GLN HE22 . 10039 1 606 . 1 1 51 51 GLN C C 13 172.135 0.300 . 1 . . . . 51 GLN C . 10039 1 607 . 1 1 51 51 GLN CA C 13 51.520 0.300 . 1 . . . . 51 GLN CA . 10039 1 608 . 1 1 51 51 GLN CB C 13 32.667 0.300 . 1 . . . . 51 GLN CB . 10039 1 609 . 1 1 51 51 GLN CG C 13 33.350 0.300 . 1 . . . . 51 GLN CG . 10039 1 610 . 1 1 51 51 GLN N N 15 121.037 0.300 . 1 . . . . 51 GLN N . 10039 1 611 . 1 1 51 51 GLN NE2 N 15 116.042 0.300 . 1 . . . . 51 GLN NE2 . 10039 1 612 . 1 1 52 52 PRO HA H 1 4.548 0.030 . 1 . . . . 52 PRO HA . 10039 1 613 . 1 1 52 52 PRO HB2 H 1 2.519 0.030 . 2 . . . . 52 PRO HB2 . 10039 1 614 . 1 1 52 52 PRO HB3 H 1 2.048 0.030 . 2 . . . . 52 PRO HB3 . 10039 1 615 . 1 1 52 52 PRO HG2 H 1 2.153 0.030 . 2 . . . . 52 PRO HG2 . 10039 1 616 . 1 1 52 52 PRO HG3 H 1 1.953 0.030 . 2 . . . . 52 PRO HG3 . 10039 1 617 . 1 1 52 52 PRO HD2 H 1 3.755 0.030 . 2 . . . . 52 PRO HD2 . 10039 1 618 . 1 1 52 52 PRO HD3 H 1 3.686 0.030 . 2 . . . . 52 PRO HD3 . 10039 1 619 . 1 1 52 52 PRO C C 13 178.119 0.300 . 1 . . . . 52 PRO C . 10039 1 620 . 1 1 52 52 PRO CA C 13 63.699 0.300 . 1 . . . . 52 PRO CA . 10039 1 621 . 1 1 52 52 PRO CB C 13 31.945 0.300 . 1 . . . . 52 PRO CB . 10039 1 622 . 1 1 52 52 PRO CG C 13 27.734 0.300 . 1 . . . . 52 PRO CG . 10039 1 623 . 1 1 52 52 PRO CD C 13 51.362 0.300 . 1 . . . . 52 PRO CD . 10039 1 624 . 1 1 53 53 LEU H H 1 8.297 0.030 . 1 . . . . 53 LEU H . 10039 1 625 . 1 1 53 53 LEU HA H 1 4.071 0.030 . 1 . . . . 53 LEU HA . 10039 1 626 . 1 1 53 53 LEU HB2 H 1 1.565 0.030 . 2 . . . . 53 LEU HB2 . 10039 1 627 . 1 1 53 53 LEU HB3 H 1 1.367 0.030 . 2 . . . . 53 LEU HB3 . 10039 1 628 . 1 1 53 53 LEU HG H 1 1.549 0.030 . 1 . . . . 53 LEU HG . 10039 1 629 . 1 1 53 53 LEU HD11 H 1 0.639 0.030 . 1 . . . . 53 LEU HD1 . 10039 1 630 . 1 1 53 53 LEU HD12 H 1 0.639 0.030 . 1 . . . . 53 LEU HD1 . 10039 1 631 . 1 1 53 53 LEU HD13 H 1 0.639 0.030 . 1 . . . . 53 LEU HD1 . 10039 1 632 . 1 1 53 53 LEU HD21 H 1 0.585 0.030 . 1 . . . . 53 LEU HD2 . 10039 1 633 . 1 1 53 53 LEU HD22 H 1 0.585 0.030 . 1 . . . . 53 LEU HD2 . 10039 1 634 . 1 1 53 53 LEU HD23 H 1 0.585 0.030 . 1 . . . . 53 LEU HD2 . 10039 1 635 . 1 1 53 53 LEU C C 13 176.520 0.300 . 1 . . . . 53 LEU C . 10039 1 636 . 1 1 53 53 LEU CA C 13 55.337 0.300 . 1 . . . . 53 LEU CA . 10039 1 637 . 1 1 53 53 LEU CB C 13 42.557 0.300 . 1 . . . . 53 LEU CB . 10039 1 638 . 1 1 53 53 LEU CG C 13 26.435 0.300 . 1 . . . . 53 LEU CG . 10039 1 639 . 1 1 53 53 LEU CD1 C 13 26.419 0.300 . 2 . . . . 53 LEU CD1 . 10039 1 640 . 1 1 53 53 LEU CD2 C 13 22.400 0.300 . 2 . . . . 53 LEU CD2 . 10039 1 641 . 1 1 53 53 LEU N N 15 124.314 0.300 . 1 . . . . 53 LEU N . 10039 1 642 . 1 1 54 54 LEU H H 1 7.580 0.030 . 1 . . . . 54 LEU H . 10039 1 643 . 1 1 54 54 LEU HA H 1 4.205 0.030 . 1 . . . . 54 LEU HA . 10039 1 644 . 1 1 54 54 LEU HB2 H 1 1.714 0.030 . 2 . . . . 54 LEU HB2 . 10039 1 645 . 1 1 54 54 LEU HB3 H 1 1.618 0.030 . 2 . . . . 54 LEU HB3 . 10039 1 646 . 1 1 54 54 LEU HG H 1 1.643 0.030 . 1 . . . . 54 LEU HG . 10039 1 647 . 1 1 54 54 LEU HD11 H 1 0.893 0.030 . 1 . . . . 54 LEU HD1 . 10039 1 648 . 1 1 54 54 LEU HD12 H 1 0.893 0.030 . 1 . . . . 54 LEU HD1 . 10039 1 649 . 1 1 54 54 LEU HD13 H 1 0.893 0.030 . 1 . . . . 54 LEU HD1 . 10039 1 650 . 1 1 54 54 LEU HD21 H 1 0.943 0.030 . 1 . . . . 54 LEU HD2 . 10039 1 651 . 1 1 54 54 LEU HD22 H 1 0.943 0.030 . 1 . . . . 54 LEU HD2 . 10039 1 652 . 1 1 54 54 LEU HD23 H 1 0.943 0.030 . 1 . . . . 54 LEU HD2 . 10039 1 653 . 1 1 54 54 LEU C C 13 179.221 0.300 . 1 . . . . 54 LEU C . 10039 1 654 . 1 1 54 54 LEU CA C 13 57.236 0.300 . 1 . . . . 54 LEU CA . 10039 1 655 . 1 1 54 54 LEU CB C 13 41.548 0.300 . 1 . . . . 54 LEU CB . 10039 1 656 . 1 1 54 54 LEU CG C 13 26.912 0.300 . 1 . . . . 54 LEU CG . 10039 1 657 . 1 1 54 54 LEU CD1 C 13 25.038 0.300 . 2 . . . . 54 LEU CD1 . 10039 1 658 . 1 1 54 54 LEU CD2 C 13 24.207 0.300 . 2 . . . . 54 LEU CD2 . 10039 1 659 . 1 1 54 54 LEU N N 15 121.299 0.300 . 1 . . . . 54 LEU N . 10039 1 660 . 1 1 55 55 GLY H H 1 9.099 0.030 . 1 . . . . 55 GLY H . 10039 1 661 . 1 1 55 55 GLY HA2 H 1 4.300 0.030 . 2 . . . . 55 GLY HA2 . 10039 1 662 . 1 1 55 55 GLY HA3 H 1 3.874 0.030 . 2 . . . . 55 GLY HA3 . 10039 1 663 . 1 1 55 55 GLY C C 13 175.284 0.300 . 1 . . . . 55 GLY C . 10039 1 664 . 1 1 55 55 GLY CA C 13 45.646 0.300 . 1 . . . . 55 GLY CA . 10039 1 665 . 1 1 55 55 GLY N N 15 113.279 0.300 . 1 . . . . 55 GLY N . 10039 1 666 . 1 1 56 56 PHE H H 1 8.225 0.030 . 1 . . . . 56 PHE H . 10039 1 667 . 1 1 56 56 PHE HA H 1 5.159 0.030 . 1 . . . . 56 PHE HA . 10039 1 668 . 1 1 56 56 PHE HB2 H 1 3.379 0.030 . 2 . . . . 56 PHE HB2 . 10039 1 669 . 1 1 56 56 PHE HB3 H 1 3.044 0.030 . 2 . . . . 56 PHE HB3 . 10039 1 670 . 1 1 56 56 PHE HD1 H 1 6.980 0.030 . 1 . . . . 56 PHE HD1 . 10039 1 671 . 1 1 56 56 PHE HD2 H 1 6.980 0.030 . 1 . . . . 56 PHE HD2 . 10039 1 672 . 1 1 56 56 PHE HE1 H 1 6.471 0.030 . 1 . . . . 56 PHE HE1 . 10039 1 673 . 1 1 56 56 PHE HE2 H 1 6.471 0.030 . 1 . . . . 56 PHE HE2 . 10039 1 674 . 1 1 56 56 PHE HZ H 1 6.278 0.030 . 1 . . . . 56 PHE HZ . 10039 1 675 . 1 1 56 56 PHE C C 13 175.297 0.300 . 1 . . . . 56 PHE C . 10039 1 676 . 1 1 56 56 PHE CA C 13 58.348 0.300 . 1 . . . . 56 PHE CA . 10039 1 677 . 1 1 56 56 PHE CB C 13 40.396 0.300 . 1 . . . . 56 PHE CB . 10039 1 678 . 1 1 56 56 PHE CD1 C 13 131.017 0.300 . 1 . . . . 56 PHE CD1 . 10039 1 679 . 1 1 56 56 PHE CD2 C 13 131.017 0.300 . 1 . . . . 56 PHE CD2 . 10039 1 680 . 1 1 56 56 PHE CE1 C 13 130.833 0.300 . 1 . . . . 56 PHE CE1 . 10039 1 681 . 1 1 56 56 PHE CE2 C 13 130.833 0.300 . 1 . . . . 56 PHE CE2 . 10039 1 682 . 1 1 56 56 PHE CZ C 13 129.002 0.300 . 1 . . . . 56 PHE CZ . 10039 1 683 . 1 1 56 56 PHE N N 15 121.776 0.300 . 1 . . . . 56 PHE N . 10039 1 684 . 1 1 57 57 THR H H 1 9.155 0.030 . 1 . . . . 57 THR H . 10039 1 685 . 1 1 57 57 THR HA H 1 4.869 0.030 . 1 . . . . 57 THR HA . 10039 1 686 . 1 1 57 57 THR HB H 1 4.150 0.030 . 1 . . . . 57 THR HB . 10039 1 687 . 1 1 57 57 THR HG21 H 1 1.200 0.030 . 1 . . . . 57 THR HG2 . 10039 1 688 . 1 1 57 57 THR HG22 H 1 1.200 0.030 . 1 . . . . 57 THR HG2 . 10039 1 689 . 1 1 57 57 THR HG23 H 1 1.200 0.030 . 1 . . . . 57 THR HG2 . 10039 1 690 . 1 1 57 57 THR C C 13 172.970 0.300 . 1 . . . . 57 THR C . 10039 1 691 . 1 1 57 57 THR CA C 13 61.205 0.300 . 1 . . . . 57 THR CA . 10039 1 692 . 1 1 57 57 THR CB C 13 72.052 0.300 . 1 . . . . 57 THR CB . 10039 1 693 . 1 1 57 57 THR CG2 C 13 21.978 0.300 . 1 . . . . 57 THR CG2 . 10039 1 694 . 1 1 57 57 THR N N 15 111.930 0.300 . 1 . . . . 57 THR N . 10039 1 695 . 1 1 58 58 VAL H H 1 8.851 0.030 . 1 . . . . 58 VAL H . 10039 1 696 . 1 1 58 58 VAL HA H 1 5.629 0.030 . 1 . . . . 58 VAL HA . 10039 1 697 . 1 1 58 58 VAL HB H 1 1.869 0.030 . 1 . . . . 58 VAL HB . 10039 1 698 . 1 1 58 58 VAL HG11 H 1 0.935 0.030 . 1 . . . . 58 VAL HG1 . 10039 1 699 . 1 1 58 58 VAL HG12 H 1 0.935 0.030 . 1 . . . . 58 VAL HG1 . 10039 1 700 . 1 1 58 58 VAL HG13 H 1 0.935 0.030 . 1 . . . . 58 VAL HG1 . 10039 1 701 . 1 1 58 58 VAL HG21 H 1 0.905 0.030 . 1 . . . . 58 VAL HG2 . 10039 1 702 . 1 1 58 58 VAL HG22 H 1 0.905 0.030 . 1 . . . . 58 VAL HG2 . 10039 1 703 . 1 1 58 58 VAL HG23 H 1 0.905 0.030 . 1 . . . . 58 VAL HG2 . 10039 1 704 . 1 1 58 58 VAL C C 13 175.006 0.300 . 1 . . . . 58 VAL C . 10039 1 705 . 1 1 58 58 VAL CA C 13 59.459 0.300 . 1 . . . . 58 VAL CA . 10039 1 706 . 1 1 58 58 VAL CB C 13 35.175 0.300 . 1 . . . . 58 VAL CB . 10039 1 707 . 1 1 58 58 VAL CG1 C 13 20.992 0.300 . 2 . . . . 58 VAL CG1 . 10039 1 708 . 1 1 58 58 VAL CG2 C 13 21.896 0.300 . 2 . . . . 58 VAL CG2 . 10039 1 709 . 1 1 58 58 VAL N N 15 121.404 0.300 . 1 . . . . 58 VAL N . 10039 1 710 . 1 1 59 59 THR H H 1 8.614 0.030 . 1 . . . . 59 THR H . 10039 1 711 . 1 1 59 59 THR HA H 1 4.731 0.030 . 1 . . . . 59 THR HA . 10039 1 712 . 1 1 59 59 THR HB H 1 4.038 0.030 . 1 . . . . 59 THR HB . 10039 1 713 . 1 1 59 59 THR HG21 H 1 1.146 0.030 . 1 . . . . 59 THR HG2 . 10039 1 714 . 1 1 59 59 THR HG22 H 1 1.146 0.030 . 1 . . . . 59 THR HG2 . 10039 1 715 . 1 1 59 59 THR HG23 H 1 1.146 0.030 . 1 . . . . 59 THR HG2 . 10039 1 716 . 1 1 59 59 THR C C 13 172.704 0.300 . 1 . . . . 59 THR C . 10039 1 717 . 1 1 59 59 THR CA C 13 60.306 0.300 . 1 . . . . 59 THR CA . 10039 1 718 . 1 1 59 59 THR CB C 13 71.847 0.300 . 1 . . . . 59 THR CB . 10039 1 719 . 1 1 59 59 THR CG2 C 13 21.356 0.300 . 1 . . . . 59 THR CG2 . 10039 1 720 . 1 1 59 59 THR N N 15 119.013 0.300 . 1 . . . . 59 THR N . 10039 1 721 . 1 1 60 60 LEU H H 1 8.699 0.030 . 1 . . . . 60 LEU H . 10039 1 722 . 1 1 60 60 LEU HA H 1 4.592 0.030 . 1 . . . . 60 LEU HA . 10039 1 723 . 1 1 60 60 LEU HB2 H 1 1.691 0.030 . 2 . . . . 60 LEU HB2 . 10039 1 724 . 1 1 60 60 LEU HB3 H 1 1.523 0.030 . 2 . . . . 60 LEU HB3 . 10039 1 725 . 1 1 60 60 LEU HG H 1 1.595 0.030 . 1 . . . . 60 LEU HG . 10039 1 726 . 1 1 60 60 LEU HD11 H 1 0.894 0.030 . 1 . . . . 60 LEU HD1 . 10039 1 727 . 1 1 60 60 LEU HD12 H 1 0.894 0.030 . 1 . . . . 60 LEU HD1 . 10039 1 728 . 1 1 60 60 LEU HD13 H 1 0.894 0.030 . 1 . . . . 60 LEU HD1 . 10039 1 729 . 1 1 60 60 LEU HD21 H 1 0.924 0.030 . 1 . . . . 60 LEU HD2 . 10039 1 730 . 1 1 60 60 LEU HD22 H 1 0.924 0.030 . 1 . . . . 60 LEU HD2 . 10039 1 731 . 1 1 60 60 LEU HD23 H 1 0.924 0.030 . 1 . . . . 60 LEU HD2 . 10039 1 732 . 1 1 60 60 LEU C C 13 176.871 0.300 . 1 . . . . 60 LEU C . 10039 1 733 . 1 1 60 60 LEU CA C 13 55.437 0.300 . 1 . . . . 60 LEU CA . 10039 1 734 . 1 1 60 60 LEU CB C 13 43.521 0.300 . 1 . . . . 60 LEU CB . 10039 1 735 . 1 1 60 60 LEU CG C 13 27.241 0.300 . 1 . . . . 60 LEU CG . 10039 1 736 . 1 1 60 60 LEU CD1 C 13 25.450 0.300 . 2 . . . . 60 LEU CD1 . 10039 1 737 . 1 1 60 60 LEU CD2 C 13 24.572 0.300 . 2 . . . . 60 LEU CD2 . 10039 1 738 . 1 1 60 60 LEU N N 15 127.402 0.300 . 1 . . . . 60 LEU N . 10039 1 739 . 1 1 61 61 VAL H H 1 8.566 0.030 . 1 . . . . 61 VAL H . 10039 1 740 . 1 1 61 61 VAL HA H 1 4.124 0.030 . 1 . . . . 61 VAL HA . 10039 1 741 . 1 1 61 61 VAL HB H 1 1.965 0.030 . 1 . . . . 61 VAL HB . 10039 1 742 . 1 1 61 61 VAL HG11 H 1 0.825 0.030 . 1 . . . . 61 VAL HG1 . 10039 1 743 . 1 1 61 61 VAL HG12 H 1 0.825 0.030 . 1 . . . . 61 VAL HG1 . 10039 1 744 . 1 1 61 61 VAL HG13 H 1 0.825 0.030 . 1 . . . . 61 VAL HG1 . 10039 1 745 . 1 1 61 61 VAL HG21 H 1 0.884 0.030 . 1 . . . . 61 VAL HG2 . 10039 1 746 . 1 1 61 61 VAL HG22 H 1 0.884 0.030 . 1 . . . . 61 VAL HG2 . 10039 1 747 . 1 1 61 61 VAL HG23 H 1 0.884 0.030 . 1 . . . . 61 VAL HG2 . 10039 1 748 . 1 1 61 61 VAL C C 13 175.430 0.300 . 1 . . . . 61 VAL C . 10039 1 749 . 1 1 61 61 VAL CA C 13 62.317 0.300 . 1 . . . . 61 VAL CA . 10039 1 750 . 1 1 61 61 VAL CB C 13 32.626 0.300 . 1 . . . . 61 VAL CB . 10039 1 751 . 1 1 61 61 VAL CG1 C 13 21.314 0.300 . 2 . . . . 61 VAL CG1 . 10039 1 752 . 1 1 61 61 VAL CG2 C 13 21.140 0.300 . 2 . . . . 61 VAL CG2 . 10039 1 753 . 1 1 61 61 VAL N N 15 125.501 0.300 . 1 . . . . 61 VAL N . 10039 1 754 . 1 1 62 62 LYS H H 1 8.582 0.030 . 1 . . . . 62 LYS H . 10039 1 755 . 1 1 62 62 LYS HA H 1 4.383 0.030 . 1 . . . . 62 LYS HA . 10039 1 756 . 1 1 62 62 LYS HB2 H 1 1.824 0.030 . 2 . . . . 62 LYS HB2 . 10039 1 757 . 1 1 62 62 LYS HB3 H 1 1.720 0.030 . 2 . . . . 62 LYS HB3 . 10039 1 758 . 1 1 62 62 LYS HG2 H 1 1.423 0.030 . 1 . . . . 62 LYS HG2 . 10039 1 759 . 1 1 62 62 LYS HG3 H 1 1.423 0.030 . 1 . . . . 62 LYS HG3 . 10039 1 760 . 1 1 62 62 LYS HD2 H 1 1.683 0.030 . 1 . . . . 62 LYS HD2 . 10039 1 761 . 1 1 62 62 LYS HD3 H 1 1.683 0.030 . 1 . . . . 62 LYS HD3 . 10039 1 762 . 1 1 62 62 LYS HE2 H 1 2.993 0.030 . 1 . . . . 62 LYS HE2 . 10039 1 763 . 1 1 62 62 LYS HE3 H 1 2.993 0.030 . 1 . . . . 62 LYS HE3 . 10039 1 764 . 1 1 62 62 LYS C C 13 175.866 0.300 . 1 . . . . 62 LYS C . 10039 1 765 . 1 1 62 62 LYS CA C 13 56.443 0.300 . 1 . . . . 62 LYS CA . 10039 1 766 . 1 1 62 62 LYS CB C 13 32.667 0.300 . 1 . . . . 62 LYS CB . 10039 1 767 . 1 1 62 62 LYS CG C 13 24.774 0.300 . 1 . . . . 62 LYS CG . 10039 1 768 . 1 1 62 62 LYS CD C 13 29.050 0.300 . 1 . . . . 62 LYS CD . 10039 1 769 . 1 1 62 62 LYS CE C 13 42.041 0.300 . 1 . . . . 62 LYS CE . 10039 1 770 . 1 1 62 62 LYS N N 15 127.187 0.300 . 1 . . . . 62 LYS N . 10039 1 771 . 1 1 63 63 ASP H H 1 8.285 0.030 . 1 . . . . 63 ASP H . 10039 1 772 . 1 1 63 63 ASP HA H 1 4.606 0.030 . 1 . . . . 63 ASP HA . 10039 1 773 . 1 1 63 63 ASP HB2 H 1 2.743 0.030 . 2 . . . . 63 ASP HB2 . 10039 1 774 . 1 1 63 63 ASP HB3 H 1 2.681 0.030 . 2 . . . . 63 ASP HB3 . 10039 1 775 . 1 1 63 63 ASP C C 13 176.290 0.300 . 1 . . . . 63 ASP C . 10039 1 776 . 1 1 63 63 ASP CA C 13 53.673 0.300 . 1 . . . . 63 ASP CA . 10039 1 777 . 1 1 63 63 ASP CB C 13 42.205 0.300 . 1 . . . . 63 ASP CB . 10039 1 778 . 1 1 63 63 ASP N N 15 123.809 0.300 . 1 . . . . 63 ASP N . 10039 1 779 . 1 1 64 64 GLU H H 1 8.886 0.030 . 1 . . . . 64 GLU H . 10039 1 780 . 1 1 64 64 GLU HA H 1 4.139 0.030 . 1 . . . . 64 GLU HA . 10039 1 781 . 1 1 64 64 GLU HB2 H 1 2.064 0.030 . 2 . . . . 64 GLU HB2 . 10039 1 782 . 1 1 64 64 GLU HB3 H 1 1.964 0.030 . 2 . . . . 64 GLU HB3 . 10039 1 783 . 1 1 64 64 GLU HG2 H 1 2.275 0.030 . 1 . . . . 64 GLU HG2 . 10039 1 784 . 1 1 64 64 GLU HG3 H 1 2.275 0.030 . 1 . . . . 64 GLU HG3 . 10039 1 785 . 1 1 64 64 GLU C C 13 177.017 0.300 . 1 . . . . 64 GLU C . 10039 1 786 . 1 1 64 64 GLU CA C 13 58.136 0.300 . 1 . . . . 64 GLU CA . 10039 1 787 . 1 1 64 64 GLU CB C 13 29.420 0.300 . 1 . . . . 64 GLU CB . 10039 1 788 . 1 1 64 64 GLU CG C 13 36.121 0.300 . 1 . . . . 64 GLU CG . 10039 1 789 . 1 1 64 64 GLU N N 15 122.004 0.300 . 1 . . . . 64 GLU N . 10039 1 790 . 1 1 65 65 ASN H H 1 8.482 0.030 . 1 . . . . 65 ASN H . 10039 1 791 . 1 1 65 65 ASN HA H 1 4.814 0.030 . 1 . . . . 65 ASN HA . 10039 1 792 . 1 1 65 65 ASN HB2 H 1 2.758 0.030 . 2 . . . . 65 ASN HB2 . 10039 1 793 . 1 1 65 65 ASN HB3 H 1 2.899 0.030 . 2 . . . . 65 ASN HB3 . 10039 1 794 . 1 1 65 65 ASN HD21 H 1 6.989 0.030 . 2 . . . . 65 ASN HD21 . 10039 1 795 . 1 1 65 65 ASN HD22 H 1 7.813 0.030 . 2 . . . . 65 ASN HD22 . 10039 1 796 . 1 1 65 65 ASN C C 13 175.272 0.300 . 1 . . . . 65 ASN C . 10039 1 797 . 1 1 65 65 ASN CA C 13 53.496 0.300 . 1 . . . . 65 ASN CA . 10039 1 798 . 1 1 65 65 ASN CB C 13 39.533 0.300 . 1 . . . . 65 ASN CB . 10039 1 799 . 1 1 65 65 ASN N N 15 116.727 0.300 . 1 . . . . 65 ASN N . 10039 1 800 . 1 1 65 65 ASN ND2 N 15 114.153 0.300 . 1 . . . . 65 ASN ND2 . 10039 1 801 . 1 1 66 66 SER H H 1 8.029 0.030 . 1 . . . . 66 SER H . 10039 1 802 . 1 1 66 66 SER HA H 1 4.393 0.030 . 1 . . . . 66 SER HA . 10039 1 803 . 1 1 66 66 SER HB2 H 1 3.953 0.030 . 2 . . . . 66 SER HB2 . 10039 1 804 . 1 1 66 66 SER HB3 H 1 3.891 0.030 . 2 . . . . 66 SER HB3 . 10039 1 805 . 1 1 66 66 SER C C 13 174.436 0.300 . 1 . . . . 66 SER C . 10039 1 806 . 1 1 66 66 SER CA C 13 59.283 0.300 . 1 . . . . 66 SER CA . 10039 1 807 . 1 1 66 66 SER CB C 13 64.118 0.300 . 1 . . . . 66 SER CB . 10039 1 808 . 1 1 66 66 SER N N 15 114.784 0.300 . 1 . . . . 66 SER N . 10039 1 809 . 1 1 67 67 GLU H H 1 8.436 0.030 . 1 . . . . 67 GLU H . 10039 1 810 . 1 1 67 67 GLU HA H 1 4.302 0.030 . 1 . . . . 67 GLU HA . 10039 1 811 . 1 1 67 67 GLU HB2 H 1 2.132 0.030 . 2 . . . . 67 GLU HB2 . 10039 1 812 . 1 1 67 67 GLU HB3 H 1 1.979 0.030 . 2 . . . . 67 GLU HB3 . 10039 1 813 . 1 1 67 67 GLU HG2 H 1 2.255 0.030 . 2 . . . . 67 GLU HG2 . 10039 1 814 . 1 1 67 67 GLU HG3 H 1 2.203 0.030 . 2 . . . . 67 GLU HG3 . 10039 1 815 . 1 1 67 67 GLU C C 13 176.241 0.300 . 1 . . . . 67 GLU C . 10039 1 816 . 1 1 67 67 GLU CA C 13 56.636 0.300 . 1 . . . . 67 GLU CA . 10039 1 817 . 1 1 67 67 GLU CB C 13 29.625 0.300 . 1 . . . . 67 GLU CB . 10039 1 818 . 1 1 67 67 GLU CG C 13 36.614 0.300 . 1 . . . . 67 GLU CG . 10039 1 819 . 1 1 67 67 GLU N N 15 119.563 0.300 . 1 . . . . 67 GLU N . 10039 1 820 . 1 1 68 68 SER H H 1 8.349 0.030 . 1 . . . . 68 SER H . 10039 1 821 . 1 1 68 68 SER HA H 1 4.468 0.030 . 1 . . . . 68 SER HA . 10039 1 822 . 1 1 68 68 SER HB2 H 1 3.944 0.030 . 1 . . . . 68 SER HB2 . 10039 1 823 . 1 1 68 68 SER HB3 H 1 3.944 0.030 . 1 . . . . 68 SER HB3 . 10039 1 824 . 1 1 68 68 SER C C 13 173.879 0.300 . 1 . . . . 68 SER C . 10039 1 825 . 1 1 68 68 SER CA C 13 58.842 0.300 . 1 . . . . 68 SER CA . 10039 1 826 . 1 1 68 68 SER CB C 13 63.172 0.300 . 1 . . . . 68 SER CB . 10039 1 827 . 1 1 68 68 SER N N 15 114.621 0.300 . 1 . . . . 68 SER N . 10039 1 828 . 1 1 69 69 LYS H H 1 8.192 0.030 . 1 . . . . 69 LYS H . 10039 1 829 . 1 1 69 69 LYS HA H 1 4.897 0.030 . 1 . . . . 69 LYS HA . 10039 1 830 . 1 1 69 69 LYS HB2 H 1 2.021 0.030 . 2 . . . . 69 LYS HB2 . 10039 1 831 . 1 1 69 69 LYS HB3 H 1 1.675 0.030 . 2 . . . . 69 LYS HB3 . 10039 1 832 . 1 1 69 69 LYS HG2 H 1 1.143 0.030 . 2 . . . . 69 LYS HG2 . 10039 1 833 . 1 1 69 69 LYS HG3 H 1 1.453 0.030 . 2 . . . . 69 LYS HG3 . 10039 1 834 . 1 1 69 69 LYS HD2 H 1 1.643 0.030 . 2 . . . . 69 LYS HD2 . 10039 1 835 . 1 1 69 69 LYS HD3 H 1 1.574 0.030 . 2 . . . . 69 LYS HD3 . 10039 1 836 . 1 1 69 69 LYS HE2 H 1 2.928 0.030 . 1 . . . . 69 LYS HE2 . 10039 1 837 . 1 1 69 69 LYS HE3 H 1 2.928 0.030 . 1 . . . . 69 LYS HE3 . 10039 1 838 . 1 1 69 69 LYS C C 13 175.393 0.300 . 1 . . . . 69 LYS C . 10039 1 839 . 1 1 69 69 LYS CA C 13 56.037 0.300 . 1 . . . . 69 LYS CA . 10039 1 840 . 1 1 69 69 LYS CB C 13 33.860 0.300 . 1 . . . . 69 LYS CB . 10039 1 841 . 1 1 69 69 LYS CG C 13 25.267 0.300 . 1 . . . . 69 LYS CG . 10039 1 842 . 1 1 69 69 LYS CD C 13 29.379 0.300 . 1 . . . . 69 LYS CD . 10039 1 843 . 1 1 69 69 LYS CE C 13 42.370 0.300 . 1 . . . . 69 LYS CE . 10039 1 844 . 1 1 69 69 LYS N N 15 120.476 0.300 . 1 . . . . 69 LYS N . 10039 1 845 . 1 1 70 70 VAL H H 1 8.337 0.030 . 1 . . . . 70 VAL H . 10039 1 846 . 1 1 70 70 VAL HA H 1 5.132 0.030 . 1 . . . . 70 VAL HA . 10039 1 847 . 1 1 70 70 VAL HB H 1 2.069 0.030 . 1 . . . . 70 VAL HB . 10039 1 848 . 1 1 70 70 VAL HG11 H 1 0.929 0.030 . 1 . . . . 70 VAL HG1 . 10039 1 849 . 1 1 70 70 VAL HG12 H 1 0.929 0.030 . 1 . . . . 70 VAL HG1 . 10039 1 850 . 1 1 70 70 VAL HG13 H 1 0.929 0.030 . 1 . . . . 70 VAL HG1 . 10039 1 851 . 1 1 70 70 VAL HG21 H 1 1.005 0.030 . 1 . . . . 70 VAL HG2 . 10039 1 852 . 1 1 70 70 VAL HG22 H 1 1.005 0.030 . 1 . . . . 70 VAL HG2 . 10039 1 853 . 1 1 70 70 VAL HG23 H 1 1.005 0.030 . 1 . . . . 70 VAL HG2 . 10039 1 854 . 1 1 70 70 VAL C C 13 174.788 0.300 . 1 . . . . 70 VAL C . 10039 1 855 . 1 1 70 70 VAL CA C 13 60.694 0.300 . 1 . . . . 70 VAL CA . 10039 1 856 . 1 1 70 70 VAL CB C 13 34.106 0.300 . 1 . . . . 70 VAL CB . 10039 1 857 . 1 1 70 70 VAL CG1 C 13 21.314 0.300 . 2 . . . . 70 VAL CG1 . 10039 1 858 . 1 1 70 70 VAL CG2 C 13 22.012 0.300 . 2 . . . . 70 VAL CG2 . 10039 1 859 . 1 1 70 70 VAL N N 15 119.774 0.300 . 1 . . . . 70 VAL N . 10039 1 860 . 1 1 71 71 PHE H H 1 9.111 0.030 . 1 . . . . 71 PHE H . 10039 1 861 . 1 1 71 71 PHE HA H 1 5.588 0.030 . 1 . . . . 71 PHE HA . 10039 1 862 . 1 1 71 71 PHE HB2 H 1 2.853 0.030 . 1 . . . . 71 PHE HB2 . 10039 1 863 . 1 1 71 71 PHE HB3 H 1 2.853 0.030 . 1 . . . . 71 PHE HB3 . 10039 1 864 . 1 1 71 71 PHE HD1 H 1 6.736 0.030 . 1 . . . . 71 PHE HD1 . 10039 1 865 . 1 1 71 71 PHE HD2 H 1 6.736 0.030 . 1 . . . . 71 PHE HD2 . 10039 1 866 . 1 1 71 71 PHE HE1 H 1 6.390 0.030 . 1 . . . . 71 PHE HE1 . 10039 1 867 . 1 1 71 71 PHE HE2 H 1 6.390 0.030 . 1 . . . . 71 PHE HE2 . 10039 1 868 . 1 1 71 71 PHE HZ H 1 6.284 0.030 . 1 . . . . 71 PHE HZ . 10039 1 869 . 1 1 71 71 PHE C C 13 172.365 0.300 . 1 . . . . 71 PHE C . 10039 1 870 . 1 1 71 71 PHE CA C 13 54.943 0.300 . 1 . . . . 71 PHE CA . 10039 1 871 . 1 1 71 71 PHE CB C 13 42.000 0.300 . 1 . . . . 71 PHE CB . 10039 1 872 . 1 1 71 71 PHE CD1 C 13 132.562 0.300 . 1 . . . . 71 PHE CD1 . 10039 1 873 . 1 1 71 71 PHE CD2 C 13 132.562 0.300 . 1 . . . . 71 PHE CD2 . 10039 1 874 . 1 1 71 71 PHE CE1 C 13 130.340 0.300 . 1 . . . . 71 PHE CE1 . 10039 1 875 . 1 1 71 71 PHE CE2 C 13 130.340 0.300 . 1 . . . . 71 PHE CE2 . 10039 1 876 . 1 1 71 71 PHE CZ C 13 130.014 0.300 . 1 . . . . 71 PHE CZ . 10039 1 877 . 1 1 71 71 PHE N N 15 120.754 0.300 . 1 . . . . 71 PHE N . 10039 1 878 . 1 1 72 72 GLN H H 1 9.281 0.030 . 1 . . . . 72 GLN H . 10039 1 879 . 1 1 72 72 GLN HA H 1 5.162 0.030 . 1 . . . . 72 GLN HA . 10039 1 880 . 1 1 72 72 GLN HB2 H 1 2.109 0.030 . 2 . . . . 72 GLN HB2 . 10039 1 881 . 1 1 72 72 GLN HB3 H 1 1.824 0.030 . 2 . . . . 72 GLN HB3 . 10039 1 882 . 1 1 72 72 GLN HG2 H 1 2.182 0.030 . 1 . . . . 72 GLN HG2 . 10039 1 883 . 1 1 72 72 GLN HG3 H 1 2.182 0.030 . 1 . . . . 72 GLN HG3 . 10039 1 884 . 1 1 72 72 GLN HE21 H 1 6.614 0.030 . 1 . . . . 72 GLN HE21 . 10039 1 885 . 1 1 72 72 GLN HE22 H 1 6.614 0.030 . 1 . . . . 72 GLN HE22 . 10039 1 886 . 1 1 72 72 GLN C C 13 173.928 0.300 . 1 . . . . 72 GLN C . 10039 1 887 . 1 1 72 72 GLN CA C 13 53.549 0.300 . 1 . . . . 72 GLN CA . 10039 1 888 . 1 1 72 72 GLN CB C 13 31.927 0.300 . 1 . . . . 72 GLN CB . 10039 1 889 . 1 1 72 72 GLN CG C 13 33.243 0.300 . 1 . . . . 72 GLN CG . 10039 1 890 . 1 1 72 72 GLN N N 15 116.817 0.300 . 1 . . . . 72 GLN N . 10039 1 891 . 1 1 72 72 GLN NE2 N 15 108.348 0.300 . 1 . . . . 72 GLN NE2 . 10039 1 892 . 1 1 73 73 LEU H H 1 8.826 0.030 . 1 . . . . 73 LEU H . 10039 1 893 . 1 1 73 73 LEU HA H 1 5.387 0.030 . 1 . . . . 73 LEU HA . 10039 1 894 . 1 1 73 73 LEU HB2 H 1 2.041 0.030 . 2 . . . . 73 LEU HB2 . 10039 1 895 . 1 1 73 73 LEU HB3 H 1 1.490 0.030 . 2 . . . . 73 LEU HB3 . 10039 1 896 . 1 1 73 73 LEU HG H 1 1.665 0.030 . 1 . . . . 73 LEU HG . 10039 1 897 . 1 1 73 73 LEU HD11 H 1 0.797 0.030 . 1 . . . . 73 LEU HD1 . 10039 1 898 . 1 1 73 73 LEU HD12 H 1 0.797 0.030 . 1 . . . . 73 LEU HD1 . 10039 1 899 . 1 1 73 73 LEU HD13 H 1 0.797 0.030 . 1 . . . . 73 LEU HD1 . 10039 1 900 . 1 1 73 73 LEU HD21 H 1 0.689 0.030 . 1 . . . . 73 LEU HD2 . 10039 1 901 . 1 1 73 73 LEU HD22 H 1 0.689 0.030 . 1 . . . . 73 LEU HD2 . 10039 1 902 . 1 1 73 73 LEU HD23 H 1 0.689 0.030 . 1 . . . . 73 LEU HD2 . 10039 1 903 . 1 1 73 73 LEU C C 13 175.405 0.300 . 1 . . . . 73 LEU C . 10039 1 904 . 1 1 73 73 LEU CA C 13 53.425 0.300 . 1 . . . . 73 LEU CA . 10039 1 905 . 1 1 73 73 LEU CB C 13 46.029 0.300 . 1 . . . . 73 LEU CB . 10039 1 906 . 1 1 73 73 LEU CG C 13 27.981 0.300 . 1 . . . . 73 LEU CG . 10039 1 907 . 1 1 73 73 LEU CD1 C 13 24.573 0.300 . 2 . . . . 73 LEU CD1 . 10039 1 908 . 1 1 73 73 LEU CD2 C 13 25.038 0.300 . 2 . . . . 73 LEU CD2 . 10039 1 909 . 1 1 73 73 LEU N N 15 122.040 0.300 . 1 . . . . 73 LEU N . 10039 1 910 . 1 1 74 74 LEU H H 1 9.706 0.030 . 1 . . . . 74 LEU H . 10039 1 911 . 1 1 74 74 LEU HA H 1 5.284 0.030 . 1 . . . . 74 LEU HA . 10039 1 912 . 1 1 74 74 LEU HB2 H 1 1.786 0.030 . 2 . . . . 74 LEU HB2 . 10039 1 913 . 1 1 74 74 LEU HB3 H 1 1.131 0.030 . 2 . . . . 74 LEU HB3 . 10039 1 914 . 1 1 74 74 LEU HG H 1 1.369 0.030 . 1 . . . . 74 LEU HG . 10039 1 915 . 1 1 74 74 LEU HD11 H 1 0.795 0.030 . 1 . . . . 74 LEU HD1 . 10039 1 916 . 1 1 74 74 LEU HD12 H 1 0.795 0.030 . 1 . . . . 74 LEU HD1 . 10039 1 917 . 1 1 74 74 LEU HD13 H 1 0.795 0.030 . 1 . . . . 74 LEU HD1 . 10039 1 918 . 1 1 74 74 LEU HD21 H 1 0.613 0.030 . 1 . . . . 74 LEU HD2 . 10039 1 919 . 1 1 74 74 LEU HD22 H 1 0.613 0.030 . 1 . . . . 74 LEU HD2 . 10039 1 920 . 1 1 74 74 LEU HD23 H 1 0.613 0.030 . 1 . . . . 74 LEU HD2 . 10039 1 921 . 1 1 74 74 LEU C C 13 175.599 0.300 . 1 . . . . 74 LEU C . 10039 1 922 . 1 1 74 74 LEU CA C 13 54.449 0.300 . 1 . . . . 74 LEU CA . 10039 1 923 . 1 1 74 74 LEU CB C 13 45.312 0.300 . 1 . . . . 74 LEU CB . 10039 1 924 . 1 1 74 74 LEU CG C 13 28.310 0.300 . 1 . . . . 74 LEU CG . 10039 1 925 . 1 1 74 74 LEU CD1 C 13 26.202 0.300 . 2 . . . . 74 LEU CD1 . 10039 1 926 . 1 1 74 74 LEU CD2 C 13 25.728 0.300 . 2 . . . . 74 LEU CD2 . 10039 1 927 . 1 1 74 74 LEU N N 15 126.558 0.300 . 1 . . . . 74 LEU N . 10039 1 928 . 1 1 75 75 HIS H H 1 8.864 0.030 . 1 . . . . 75 HIS H . 10039 1 929 . 1 1 75 75 HIS HA H 1 4.496 0.030 . 1 . . . . 75 HIS HA . 10039 1 930 . 1 1 75 75 HIS HB2 H 1 2.655 0.030 . 2 . . . . 75 HIS HB2 . 10039 1 931 . 1 1 75 75 HIS HB3 H 1 1.897 0.030 . 2 . . . . 75 HIS HB3 . 10039 1 932 . 1 1 75 75 HIS HD2 H 1 6.293 0.030 . 1 . . . . 75 HIS HD2 . 10039 1 933 . 1 1 75 75 HIS HE1 H 1 7.921 0.030 . 1 . . . . 75 HIS HE1 . 10039 1 934 . 1 1 75 75 HIS C C 13 174.655 0.300 . 1 . . . . 75 HIS C . 10039 1 935 . 1 1 75 75 HIS CA C 13 55.419 0.300 . 1 . . . . 75 HIS CA . 10039 1 936 . 1 1 75 75 HIS CB C 13 31.969 0.300 . 1 . . . . 75 HIS CB . 10039 1 937 . 1 1 75 75 HIS CD2 C 13 120.453 0.300 . 1 . . . . 75 HIS CD2 . 10039 1 938 . 1 1 75 75 HIS CE1 C 13 137.131 0.300 . 1 . . . . 75 HIS CE1 . 10039 1 939 . 1 1 75 75 HIS N N 15 118.546 0.300 . 1 . . . . 75 HIS N . 10039 1 940 . 1 1 76 76 LYS H H 1 9.147 0.030 . 1 . . . . 76 LYS H . 10039 1 941 . 1 1 76 76 LYS HA H 1 3.625 0.030 . 1 . . . . 76 LYS HA . 10039 1 942 . 1 1 76 76 LYS HB2 H 1 1.758 0.030 . 2 . . . . 76 LYS HB2 . 10039 1 943 . 1 1 76 76 LYS HB3 H 1 1.513 0.030 . 2 . . . . 76 LYS HB3 . 10039 1 944 . 1 1 76 76 LYS HG2 H 1 0.586 0.030 . 2 . . . . 76 LYS HG2 . 10039 1 945 . 1 1 76 76 LYS HG3 H 1 0.831 0.030 . 2 . . . . 76 LYS HG3 . 10039 1 946 . 1 1 76 76 LYS HD2 H 1 1.434 0.030 . 1 . . . . 76 LYS HD2 . 10039 1 947 . 1 1 76 76 LYS HD3 H 1 1.434 0.030 . 1 . . . . 76 LYS HD3 . 10039 1 948 . 1 1 76 76 LYS HE2 H 1 2.804 0.030 . 1 . . . . 76 LYS HE2 . 10039 1 949 . 1 1 76 76 LYS HE3 H 1 2.804 0.030 . 1 . . . . 76 LYS HE3 . 10039 1 950 . 1 1 76 76 LYS C C 13 176.460 0.300 . 1 . . . . 76 LYS C . 10039 1 951 . 1 1 76 76 LYS CA C 13 56.919 0.300 . 1 . . . . 76 LYS CA . 10039 1 952 . 1 1 76 76 LYS CB C 13 29.584 0.300 . 1 . . . . 76 LYS CB . 10039 1 953 . 1 1 76 76 LYS CG C 13 24.622 0.300 . 1 . . . . 76 LYS CG . 10039 1 954 . 1 1 76 76 LYS CD C 13 29.057 0.300 . 1 . . . . 76 LYS CD . 10039 1 955 . 1 1 76 76 LYS CE C 13 42.041 0.300 . 1 . . . . 76 LYS CE . 10039 1 956 . 1 1 76 76 LYS N N 15 127.125 0.300 . 1 . . . . 76 LYS N . 10039 1 957 . 1 1 77 77 GLY H H 1 8.436 0.030 . 1 . . . . 77 GLY H . 10039 1 958 . 1 1 77 77 GLY HA2 H 1 4.081 0.030 . 2 . . . . 77 GLY HA2 . 10039 1 959 . 1 1 77 77 GLY HA3 H 1 3.459 0.030 . 2 . . . . 77 GLY HA3 . 10039 1 960 . 1 1 77 77 GLY C C 13 173.382 0.300 . 1 . . . . 77 GLY C . 10039 1 961 . 1 1 77 77 GLY CA C 13 45.381 0.300 . 1 . . . . 77 GLY CA . 10039 1 962 . 1 1 77 77 GLY N N 15 103.158 0.300 . 1 . . . . 77 GLY N . 10039 1 963 . 1 1 78 78 MET H H 1 7.766 0.030 . 1 . . . . 78 MET H . 10039 1 964 . 1 1 78 78 MET HA H 1 4.684 0.030 . 1 . . . . 78 MET HA . 10039 1 965 . 1 1 78 78 MET HB2 H 1 2.122 0.030 . 2 . . . . 78 MET HB2 . 10039 1 966 . 1 1 78 78 MET HB3 H 1 2.080 0.030 . 2 . . . . 78 MET HB3 . 10039 1 967 . 1 1 78 78 MET HG2 H 1 2.533 0.030 . 2 . . . . 78 MET HG2 . 10039 1 968 . 1 1 78 78 MET HG3 H 1 2.459 0.030 . 2 . . . . 78 MET HG3 . 10039 1 969 . 1 1 78 78 MET HE1 H 1 2.077 0.030 . 1 . . . . 78 MET HE . 10039 1 970 . 1 1 78 78 MET HE2 H 1 2.077 0.030 . 1 . . . . 78 MET HE . 10039 1 971 . 1 1 78 78 MET HE3 H 1 2.077 0.030 . 1 . . . . 78 MET HE . 10039 1 972 . 1 1 78 78 MET C C 13 175.842 0.300 . 1 . . . . 78 MET C . 10039 1 973 . 1 1 78 78 MET CA C 13 53.531 0.300 . 1 . . . . 78 MET CA . 10039 1 974 . 1 1 78 78 MET CB C 13 34.312 0.300 . 1 . . . . 78 MET CB . 10039 1 975 . 1 1 78 78 MET CG C 13 31.787 0.300 . 1 . . . . 78 MET CG . 10039 1 976 . 1 1 78 78 MET CE C 13 17.063 0.300 . 1 . . . . 78 MET CE . 10039 1 977 . 1 1 78 78 MET N N 15 120.129 0.300 . 1 . . . . 78 MET N . 10039 1 978 . 1 1 79 79 VAL H H 1 8.800 0.030 . 1 . . . . 79 VAL H . 10039 1 979 . 1 1 79 79 VAL HA H 1 3.644 0.030 . 1 . . . . 79 VAL HA . 10039 1 980 . 1 1 79 79 VAL HB H 1 1.904 0.030 . 1 . . . . 79 VAL HB . 10039 1 981 . 1 1 79 79 VAL HG11 H 1 0.597 0.030 . 1 . . . . 79 VAL HG1 . 10039 1 982 . 1 1 79 79 VAL HG12 H 1 0.597 0.030 . 1 . . . . 79 VAL HG1 . 10039 1 983 . 1 1 79 79 VAL HG13 H 1 0.597 0.030 . 1 . . . . 79 VAL HG1 . 10039 1 984 . 1 1 79 79 VAL HG21 H 1 0.855 0.030 . 1 . . . . 79 VAL HG2 . 10039 1 985 . 1 1 79 79 VAL HG22 H 1 0.855 0.030 . 1 . . . . 79 VAL HG2 . 10039 1 986 . 1 1 79 79 VAL HG23 H 1 0.855 0.030 . 1 . . . . 79 VAL HG2 . 10039 1 987 . 1 1 79 79 VAL C C 13 175.451 0.300 . 1 . . . . 79 VAL C . 10039 1 988 . 1 1 79 79 VAL CA C 13 65.087 0.300 . 1 . . . . 79 VAL CA . 10039 1 989 . 1 1 79 79 VAL CB C 13 31.698 0.300 . 1 . . . . 79 VAL CB . 10039 1 990 . 1 1 79 79 VAL CG1 C 13 21.262 0.300 . 2 . . . . 79 VAL CG1 . 10039 1 991 . 1 1 79 79 VAL CG2 C 13 21.932 0.300 . 2 . . . . 79 VAL CG2 . 10039 1 992 . 1 1 79 79 VAL N N 15 124.987 0.300 . 1 . . . . 79 VAL N . 10039 1 993 . 1 1 80 80 PHE H H 1 9.492 0.030 . 1 . . . . 80 PHE H . 10039 1 994 . 1 1 80 80 PHE HA H 1 4.454 0.030 . 1 . . . . 80 PHE HA . 10039 1 995 . 1 1 80 80 PHE HB2 H 1 2.940 0.030 . 2 . . . . 80 PHE HB2 . 10039 1 996 . 1 1 80 80 PHE HB3 H 1 2.735 0.030 . 2 . . . . 80 PHE HB3 . 10039 1 997 . 1 1 80 80 PHE HD1 H 1 7.004 0.030 . 1 . . . . 80 PHE HD1 . 10039 1 998 . 1 1 80 80 PHE HD2 H 1 7.004 0.030 . 1 . . . . 80 PHE HD2 . 10039 1 999 . 1 1 80 80 PHE HE1 H 1 7.244 0.030 . 1 . . . . 80 PHE HE1 . 10039 1 1000 . 1 1 80 80 PHE HE2 H 1 7.244 0.030 . 1 . . . . 80 PHE HE2 . 10039 1 1001 . 1 1 80 80 PHE HZ H 1 7.304 0.030 . 1 . . . . 80 PHE HZ . 10039 1 1002 . 1 1 80 80 PHE C C 13 174.400 0.300 . 1 . . . . 80 PHE C . 10039 1 1003 . 1 1 80 80 PHE CA C 13 59.230 0.300 . 1 . . . . 80 PHE CA . 10039 1 1004 . 1 1 80 80 PHE CB C 13 41.218 0.300 . 1 . . . . 80 PHE CB . 10039 1 1005 . 1 1 80 80 PHE CD1 C 13 131.286 0.300 . 1 . . . . 80 PHE CD1 . 10039 1 1006 . 1 1 80 80 PHE CD2 C 13 131.286 0.300 . 1 . . . . 80 PHE CD2 . 10039 1 1007 . 1 1 80 80 PHE CE1 C 13 131.440 0.300 . 1 . . . . 80 PHE CE1 . 10039 1 1008 . 1 1 80 80 PHE CE2 C 13 131.440 0.300 . 1 . . . . 80 PHE CE2 . 10039 1 1009 . 1 1 80 80 PHE CZ C 13 130.312 0.300 . 1 . . . . 80 PHE CZ . 10039 1 1010 . 1 1 80 80 PHE N N 15 132.248 0.300 . 1 . . . . 80 PHE N . 10039 1 1011 . 1 1 81 81 TYR H H 1 7.572 0.030 . 1 . . . . 81 TYR H . 10039 1 1012 . 1 1 81 81 TYR HA H 1 4.800 0.030 . 1 . . . . 81 TYR HA . 10039 1 1013 . 1 1 81 81 TYR HB2 H 1 2.189 0.030 . 2 . . . . 81 TYR HB2 . 10039 1 1014 . 1 1 81 81 TYR HB3 H 1 2.098 0.030 . 2 . . . . 81 TYR HB3 . 10039 1 1015 . 1 1 81 81 TYR HD1 H 1 6.666 0.030 . 1 . . . . 81 TYR HD1 . 10039 1 1016 . 1 1 81 81 TYR HD2 H 1 6.666 0.030 . 1 . . . . 81 TYR HD2 . 10039 1 1017 . 1 1 81 81 TYR HE1 H 1 6.536 0.030 . 1 . . . . 81 TYR HE1 . 10039 1 1018 . 1 1 81 81 TYR HE2 H 1 6.536 0.030 . 1 . . . . 81 TYR HE2 . 10039 1 1019 . 1 1 81 81 TYR C C 13 173.031 0.300 . 1 . . . . 81 TYR C . 10039 1 1020 . 1 1 81 81 TYR CA C 13 56.089 0.300 . 1 . . . . 81 TYR CA . 10039 1 1021 . 1 1 81 81 TYR CB C 13 45.700 0.300 . 1 . . . . 81 TYR CB . 10039 1 1022 . 1 1 81 81 TYR CD1 C 13 132.546 0.300 . 1 . . . . 81 TYR CD1 . 10039 1 1023 . 1 1 81 81 TYR CD2 C 13 132.546 0.300 . 1 . . . . 81 TYR CD2 . 10039 1 1024 . 1 1 81 81 TYR CE1 C 13 117.785 0.300 . 1 . . . . 81 TYR CE1 . 10039 1 1025 . 1 1 81 81 TYR CE2 C 13 117.785 0.300 . 1 . . . . 81 TYR CE2 . 10039 1 1026 . 1 1 81 81 TYR N N 15 111.786 0.300 . 1 . . . . 81 TYR N . 10039 1 1027 . 1 1 82 82 VAL H H 1 8.487 0.030 . 1 . . . . 82 VAL H . 10039 1 1028 . 1 1 82 82 VAL HA H 1 4.371 0.030 . 1 . . . . 82 VAL HA . 10039 1 1029 . 1 1 82 82 VAL HB H 1 1.606 0.030 . 1 . . . . 82 VAL HB . 10039 1 1030 . 1 1 82 82 VAL HG11 H 1 0.896 0.030 . 1 . . . . 82 VAL HG1 . 10039 1 1031 . 1 1 82 82 VAL HG12 H 1 0.896 0.030 . 1 . . . . 82 VAL HG1 . 10039 1 1032 . 1 1 82 82 VAL HG13 H 1 0.896 0.030 . 1 . . . . 82 VAL HG1 . 10039 1 1033 . 1 1 82 82 VAL HG21 H 1 0.532 0.030 . 1 . . . . 82 VAL HG2 . 10039 1 1034 . 1 1 82 82 VAL HG22 H 1 0.532 0.030 . 1 . . . . 82 VAL HG2 . 10039 1 1035 . 1 1 82 82 VAL HG23 H 1 0.532 0.030 . 1 . . . . 82 VAL HG2 . 10039 1 1036 . 1 1 82 82 VAL C C 13 173.080 0.300 . 1 . . . . 82 VAL C . 10039 1 1037 . 1 1 82 82 VAL CA C 13 60.994 0.300 . 1 . . . . 82 VAL CA . 10039 1 1038 . 1 1 82 82 VAL CB C 13 33.079 0.300 . 1 . . . . 82 VAL CB . 10039 1 1039 . 1 1 82 82 VAL CG1 C 13 22.801 0.300 . 2 . . . . 82 VAL CG1 . 10039 1 1040 . 1 1 82 82 VAL CG2 C 13 21.238 0.300 . 2 . . . . 82 VAL CG2 . 10039 1 1041 . 1 1 82 82 VAL N N 15 119.443 0.300 . 1 . . . . 82 VAL N . 10039 1 1042 . 1 1 83 83 PHE H H 1 9.029 0.030 . 1 . . . . 83 PHE H . 10039 1 1043 . 1 1 83 83 PHE HA H 1 5.712 0.030 . 1 . . . . 83 PHE HA . 10039 1 1044 . 1 1 83 83 PHE HB2 H 1 1.901 0.030 . 2 . . . . 83 PHE HB2 . 10039 1 1045 . 1 1 83 83 PHE HB3 H 1 0.594 0.030 . 2 . . . . 83 PHE HB3 . 10039 1 1046 . 1 1 83 83 PHE HD1 H 1 6.274 0.030 . 1 . . . . 83 PHE HD1 . 10039 1 1047 . 1 1 83 83 PHE HD2 H 1 6.274 0.030 . 1 . . . . 83 PHE HD2 . 10039 1 1048 . 1 1 83 83 PHE HE1 H 1 6.235 0.030 . 1 . . . . 83 PHE HE1 . 10039 1 1049 . 1 1 83 83 PHE HE2 H 1 6.235 0.030 . 1 . . . . 83 PHE HE2 . 10039 1 1050 . 1 1 83 83 PHE HZ H 1 6.432 0.030 . 1 . . . . 83 PHE HZ . 10039 1 1051 . 1 1 83 83 PHE C C 13 174.182 0.300 . 1 . . . . 83 PHE C . 10039 1 1052 . 1 1 83 83 PHE CA C 13 55.966 0.300 . 1 . . . . 83 PHE CA . 10039 1 1053 . 1 1 83 83 PHE CB C 13 43.914 0.300 . 1 . . . . 83 PHE CB . 10039 1 1054 . 1 1 83 83 PHE CD1 C 13 131.958 0.300 . 1 . . . . 83 PHE CD1 . 10039 1 1055 . 1 1 83 83 PHE CD2 C 13 131.958 0.300 . 1 . . . . 83 PHE CD2 . 10039 1 1056 . 1 1 83 83 PHE CE1 C 13 129.858 0.300 . 1 . . . . 83 PHE CE1 . 10039 1 1057 . 1 1 83 83 PHE CE2 C 13 129.858 0.300 . 1 . . . . 83 PHE CE2 . 10039 1 1058 . 1 1 83 83 PHE CZ C 13 126.919 0.300 . 1 . . . . 83 PHE CZ . 10039 1 1059 . 1 1 83 83 PHE N N 15 122.590 0.300 . 1 . . . . 83 PHE N . 10039 1 1060 . 1 1 84 84 LYS H H 1 8.762 0.030 . 1 . . . . 84 LYS H . 10039 1 1061 . 1 1 84 84 LYS HA H 1 5.011 0.030 . 1 . . . . 84 LYS HA . 10039 1 1062 . 1 1 84 84 LYS HB2 H 1 1.244 0.030 . 1 . . . . 84 LYS HB2 . 10039 1 1063 . 1 1 84 84 LYS HB3 H 1 1.244 0.030 . 1 . . . . 84 LYS HB3 . 10039 1 1064 . 1 1 84 84 LYS HG2 H 1 1.057 0.030 . 2 . . . . 84 LYS HG2 . 10039 1 1065 . 1 1 84 84 LYS HG3 H 1 0.983 0.030 . 2 . . . . 84 LYS HG3 . 10039 1 1066 . 1 1 84 84 LYS HD2 H 1 0.776 0.030 . 2 . . . . 84 LYS HD2 . 10039 1 1067 . 1 1 84 84 LYS HD3 H 1 0.988 0.030 . 2 . . . . 84 LYS HD3 . 10039 1 1068 . 1 1 84 84 LYS HE2 H 1 1.760 0.030 . 2 . . . . 84 LYS HE2 . 10039 1 1069 . 1 1 84 84 LYS HE3 H 1 1.436 0.030 . 2 . . . . 84 LYS HE3 . 10039 1 1070 . 1 1 84 84 LYS C C 13 174.626 0.300 . 1 . . . . 84 LYS C . 10039 1 1071 . 1 1 84 84 LYS CA C 13 55.313 0.300 . 1 . . . . 84 LYS CA . 10039 1 1072 . 1 1 84 84 LYS CB C 13 36.431 0.300 . 1 . . . . 84 LYS CB . 10039 1 1073 . 1 1 84 84 LYS CG C 13 24.592 0.300 . 1 . . . . 84 LYS CG . 10039 1 1074 . 1 1 84 84 LYS CD C 13 29.285 0.300 . 1 . . . . 84 LYS CD . 10039 1 1075 . 1 1 84 84 LYS CE C 13 41.209 0.300 . 1 . . . . 84 LYS CE . 10039 1 1076 . 1 1 84 84 LYS N N 15 117.381 0.300 . 1 . . . . 84 LYS N . 10039 1 1077 . 1 1 85 85 ALA H H 1 8.577 0.030 . 1 . . . . 85 ALA H . 10039 1 1078 . 1 1 85 85 ALA HA H 1 5.035 0.030 . 1 . . . . 85 ALA HA . 10039 1 1079 . 1 1 85 85 ALA HB1 H 1 1.716 0.030 . 1 . . . . 85 ALA HB . 10039 1 1080 . 1 1 85 85 ALA HB2 H 1 1.716 0.030 . 1 . . . . 85 ALA HB . 10039 1 1081 . 1 1 85 85 ALA HB3 H 1 1.716 0.030 . 1 . . . . 85 ALA HB . 10039 1 1082 . 1 1 85 85 ALA C C 13 177.562 0.300 . 1 . . . . 85 ALA C . 10039 1 1083 . 1 1 85 85 ALA CA C 13 50.350 0.300 . 1 . . . . 85 ALA CA . 10039 1 1084 . 1 1 85 85 ALA CB C 13 21.074 0.300 . 1 . . . . 85 ALA CB . 10039 1 1085 . 1 1 85 85 ALA N N 15 127.512 0.300 . 1 . . . . 85 ALA N . 10039 1 1086 . 1 1 86 86 ASP H H 1 8.519 0.030 . 1 . . . . 86 ASP H . 10039 1 1087 . 1 1 86 86 ASP HA H 1 4.572 0.030 . 1 . . . . 86 ASP HA . 10039 1 1088 . 1 1 86 86 ASP HB2 H 1 2.855 0.030 . 2 . . . . 86 ASP HB2 . 10039 1 1089 . 1 1 86 86 ASP HB3 H 1 2.723 0.030 . 2 . . . . 86 ASP HB3 . 10039 1 1090 . 1 1 86 86 ASP C C 13 176.084 0.300 . 1 . . . . 86 ASP C . 10039 1 1091 . 1 1 86 86 ASP CA C 13 56.707 0.300 . 1 . . . . 86 ASP CA . 10039 1 1092 . 1 1 86 86 ASP CB C 13 41.959 0.300 . 1 . . . . 86 ASP CB . 10039 1 1093 . 1 1 86 86 ASP N N 15 116.261 0.300 . 1 . . . . 86 ASP N . 10039 1 1094 . 1 1 87 87 ASP H H 1 7.630 0.030 . 1 . . . . 87 ASP H . 10039 1 1095 . 1 1 87 87 ASP HA H 1 4.786 0.030 . 1 . . . . 87 ASP HA . 10039 1 1096 . 1 1 87 87 ASP HB2 H 1 2.975 0.030 . 1 . . . . 87 ASP HB2 . 10039 1 1097 . 1 1 87 87 ASP HB3 H 1 2.975 0.030 . 1 . . . . 87 ASP HB3 . 10039 1 1098 . 1 1 87 87 ASP C C 13 176.177 0.300 . 1 . . . . 87 ASP C . 10039 1 1099 . 1 1 87 87 ASP CA C 13 52.826 0.300 . 1 . . . . 87 ASP CA . 10039 1 1100 . 1 1 87 87 ASP CB C 13 42.986 0.300 . 1 . . . . 87 ASP CB . 10039 1 1101 . 1 1 87 87 ASP N N 15 112.522 0.300 . 1 . . . . 87 ASP N . 10039 1 1102 . 1 1 88 88 ALA H H 1 9.264 0.030 . 1 . . . . 88 ALA H . 10039 1 1103 . 1 1 88 88 ALA HA H 1 4.205 0.030 . 1 . . . . 88 ALA HA . 10039 1 1104 . 1 1 88 88 ALA HB1 H 1 1.484 0.030 . 1 . . . . 88 ALA HB . 10039 1 1105 . 1 1 88 88 ALA HB2 H 1 1.484 0.030 . 1 . . . . 88 ALA HB . 10039 1 1106 . 1 1 88 88 ALA HB3 H 1 1.484 0.030 . 1 . . . . 88 ALA HB . 10039 1 1107 . 1 1 88 88 ALA C C 13 180.045 0.300 . 1 . . . . 88 ALA C . 10039 1 1108 . 1 1 88 88 ALA CA C 13 55.295 0.300 . 1 . . . . 88 ALA CA . 10039 1 1109 . 1 1 88 88 ALA CB C 13 18.913 0.300 . 1 . . . . 88 ALA CB . 10039 1 1110 . 1 1 88 88 ALA N N 15 125.565 0.300 . 1 . . . . 88 ALA N . 10039 1 1111 . 1 1 89 89 HIS H H 1 8.715 0.030 . 1 . . . . 89 HIS H . 10039 1 1112 . 1 1 89 89 HIS HA H 1 4.537 0.030 . 1 . . . . 89 HIS HA . 10039 1 1113 . 1 1 89 89 HIS HB2 H 1 3.334 0.030 . 1 . . . . 89 HIS HB2 . 10039 1 1114 . 1 1 89 89 HIS HB3 H 1 3.334 0.030 . 1 . . . . 89 HIS HB3 . 10039 1 1115 . 1 1 89 89 HIS HD2 H 1 7.279 0.030 . 1 . . . . 89 HIS HD2 . 10039 1 1116 . 1 1 89 89 HIS HE1 H 1 8.287 0.030 . 1 . . . . 89 HIS HE1 . 10039 1 1117 . 1 1 89 89 HIS C C 13 177.816 0.300 . 1 . . . . 89 HIS C . 10039 1 1118 . 1 1 89 89 HIS CA C 13 58.859 0.300 . 1 . . . . 89 HIS CA . 10039 1 1119 . 1 1 89 89 HIS CB C 13 28.680 0.300 . 1 . . . . 89 HIS CB . 10039 1 1120 . 1 1 89 89 HIS CD2 C 13 120.019 0.300 . 1 . . . . 89 HIS CD2 . 10039 1 1121 . 1 1 89 89 HIS CE1 C 13 137.382 0.300 . 1 . . . . 89 HIS CE1 . 10039 1 1122 . 1 1 89 89 HIS N N 15 119.031 0.300 . 1 . . . . 89 HIS N . 10039 1 1123 . 1 1 90 90 SER H H 1 8.994 0.030 . 1 . . . . 90 SER H . 10039 1 1124 . 1 1 90 90 SER HA H 1 4.243 0.030 . 1 . . . . 90 SER HA . 10039 1 1125 . 1 1 90 90 SER HB2 H 1 4.184 0.030 . 2 . . . . 90 SER HB2 . 10039 1 1126 . 1 1 90 90 SER HB3 H 1 4.109 0.030 . 2 . . . . 90 SER HB3 . 10039 1 1127 . 1 1 90 90 SER C C 13 176.157 0.300 . 1 . . . . 90 SER C . 10039 1 1128 . 1 1 90 90 SER CA C 13 61.764 0.300 . 1 . . . . 90 SER CA . 10039 1 1129 . 1 1 90 90 SER CB C 13 63.213 0.300 . 1 . . . . 90 SER CB . 10039 1 1130 . 1 1 90 90 SER N N 15 116.944 0.300 . 1 . . . . 90 SER N . 10039 1 1131 . 1 1 91 91 THR H H 1 8.027 0.030 . 1 . . . . 91 THR H . 10039 1 1132 . 1 1 91 91 THR HA H 1 3.738 0.030 . 1 . . . . 91 THR HA . 10039 1 1133 . 1 1 91 91 THR HB H 1 4.402 0.030 . 1 . . . . 91 THR HB . 10039 1 1134 . 1 1 91 91 THR HG21 H 1 1.142 0.030 . 1 . . . . 91 THR HG2 . 10039 1 1135 . 1 1 91 91 THR HG22 H 1 1.142 0.030 . 1 . . . . 91 THR HG2 . 10039 1 1136 . 1 1 91 91 THR HG23 H 1 1.142 0.030 . 1 . . . . 91 THR HG2 . 10039 1 1137 . 1 1 91 91 THR C C 13 174.994 0.300 . 1 . . . . 91 THR C . 10039 1 1138 . 1 1 91 91 THR CA C 13 68.545 0.300 . 1 . . . . 91 THR CA . 10039 1 1139 . 1 1 91 91 THR CB C 13 68.416 0.300 . 1 . . . . 91 THR CB . 10039 1 1140 . 1 1 91 91 THR CG2 C 13 21.814 0.300 . 1 . . . . 91 THR CG2 . 10039 1 1141 . 1 1 91 91 THR N N 15 118.254 0.300 . 1 . . . . 91 THR N . 10039 1 1142 . 1 1 92 92 GLN H H 1 7.825 0.030 . 1 . . . . 92 GLN H . 10039 1 1143 . 1 1 92 92 GLN HA H 1 3.735 0.030 . 1 . . . . 92 GLN HA . 10039 1 1144 . 1 1 92 92 GLN HB2 H 1 2.145 0.030 . 1 . . . . 92 GLN HB2 . 10039 1 1145 . 1 1 92 92 GLN HB3 H 1 2.145 0.030 . 1 . . . . 92 GLN HB3 . 10039 1 1146 . 1 1 92 92 GLN HG2 H 1 2.379 0.030 . 1 . . . . 92 GLN HG2 . 10039 1 1147 . 1 1 92 92 GLN HG3 H 1 2.379 0.030 . 1 . . . . 92 GLN HG3 . 10039 1 1148 . 1 1 92 92 GLN HE21 H 1 6.719 0.030 . 2 . . . . 92 GLN HE21 . 10039 1 1149 . 1 1 92 92 GLN HE22 H 1 7.737 0.030 . 2 . . . . 92 GLN HE22 . 10039 1 1150 . 1 1 92 92 GLN C C 13 177.271 0.300 . 1 . . . . 92 GLN C . 10039 1 1151 . 1 1 92 92 GLN CA C 13 58.736 0.300 . 1 . . . . 92 GLN CA . 10039 1 1152 . 1 1 92 92 GLN CB C 13 28.104 0.300 . 1 . . . . 92 GLN CB . 10039 1 1153 . 1 1 92 92 GLN CG C 13 33.590 0.300 . 1 . . . . 92 GLN CG . 10039 1 1154 . 1 1 92 92 GLN N N 15 119.409 0.300 . 1 . . . . 92 GLN N . 10039 1 1155 . 1 1 92 92 GLN NE2 N 15 115.013 0.300 . 1 . . . . 92 GLN NE2 . 10039 1 1156 . 1 1 93 93 ARG H H 1 7.639 0.030 . 1 . . . . 93 ARG H . 10039 1 1157 . 1 1 93 93 ARG HA H 1 4.026 0.030 . 1 . . . . 93 ARG HA . 10039 1 1158 . 1 1 93 93 ARG HB2 H 1 1.772 0.030 . 1 . . . . 93 ARG HB2 . 10039 1 1159 . 1 1 93 93 ARG HB3 H 1 1.772 0.030 . 1 . . . . 93 ARG HB3 . 10039 1 1160 . 1 1 93 93 ARG HG2 H 1 1.629 0.030 . 2 . . . . 93 ARG HG2 . 10039 1 1161 . 1 1 93 93 ARG HG3 H 1 1.520 0.030 . 2 . . . . 93 ARG HG3 . 10039 1 1162 . 1 1 93 93 ARG HD2 H 1 3.133 0.030 . 2 . . . . 93 ARG HD2 . 10039 1 1163 . 1 1 93 93 ARG HD3 H 1 3.064 0.030 . 2 . . . . 93 ARG HD3 . 10039 1 1164 . 1 1 93 93 ARG C C 13 180.263 0.300 . 1 . . . . 93 ARG C . 10039 1 1165 . 1 1 93 93 ARG CA C 13 59.101 0.300 . 1 . . . . 93 ARG CA . 10039 1 1166 . 1 1 93 93 ARG CB C 13 29.420 0.300 . 1 . . . . 93 ARG CB . 10039 1 1167 . 1 1 93 93 ARG CG C 13 27.365 0.300 . 1 . . . . 93 ARG CG . 10039 1 1168 . 1 1 93 93 ARG CD C 13 43.192 0.300 . 1 . . . . 93 ARG CD . 10039 1 1169 . 1 1 93 93 ARG N N 15 117.914 0.300 . 1 . . . . 93 ARG N . 10039 1 1170 . 1 1 94 94 TRP H H 1 8.213 0.030 . 1 . . . . 94 TRP H . 10039 1 1171 . 1 1 94 94 TRP HA H 1 4.144 0.030 . 1 . . . . 94 TRP HA . 10039 1 1172 . 1 1 94 94 TRP HB2 H 1 3.125 0.030 . 2 . . . . 94 TRP HB2 . 10039 1 1173 . 1 1 94 94 TRP HB3 H 1 2.895 0.030 . 2 . . . . 94 TRP HB3 . 10039 1 1174 . 1 1 94 94 TRP HD1 H 1 7.071 0.030 . 1 . . . . 94 TRP HD1 . 10039 1 1175 . 1 1 94 94 TRP HE1 H 1 10.606 0.030 . 1 . . . . 94 TRP HE1 . 10039 1 1176 . 1 1 94 94 TRP HE3 H 1 7.147 0.030 . 1 . . . . 94 TRP HE3 . 10039 1 1177 . 1 1 94 94 TRP HZ2 H 1 6.599 0.030 . 1 . . . . 94 TRP HZ2 . 10039 1 1178 . 1 1 94 94 TRP HZ3 H 1 6.204 0.030 . 1 . . . . 94 TRP HZ3 . 10039 1 1179 . 1 1 94 94 TRP HH2 H 1 6.660 0.030 . 1 . . . . 94 TRP HH2 . 10039 1 1180 . 1 1 94 94 TRP C C 13 178.301 0.300 . 1 . . . . 94 TRP C . 10039 1 1181 . 1 1 94 94 TRP CA C 13 61.452 0.300 . 1 . . . . 94 TRP CA . 10039 1 1182 . 1 1 94 94 TRP CB C 13 29.748 0.300 . 1 . . . . 94 TRP CB . 10039 1 1183 . 1 1 94 94 TRP CD1 C 13 127.150 0.300 . 1 . . . . 94 TRP CD1 . 10039 1 1184 . 1 1 94 94 TRP CE3 C 13 120.286 0.300 . 1 . . . . 94 TRP CE3 . 10039 1 1185 . 1 1 94 94 TRP CZ2 C 13 114.040 0.300 . 1 . . . . 94 TRP CZ2 . 10039 1 1186 . 1 1 94 94 TRP CZ3 C 13 120.235 0.300 . 1 . . . . 94 TRP CZ3 . 10039 1 1187 . 1 1 94 94 TRP CH2 C 13 124.517 0.300 . 1 . . . . 94 TRP CH2 . 10039 1 1188 . 1 1 94 94 TRP N N 15 119.961 0.300 . 1 . . . . 94 TRP N . 10039 1 1189 . 1 1 94 94 TRP NE1 N 15 129.893 0.300 . 1 . . . . 94 TRP NE1 . 10039 1 1190 . 1 1 95 95 ILE H H 1 8.439 0.030 . 1 . . . . 95 ILE H . 10039 1 1191 . 1 1 95 95 ILE HA H 1 3.251 0.030 . 1 . . . . 95 ILE HA . 10039 1 1192 . 1 1 95 95 ILE HB H 1 1.744 0.030 . 1 . . . . 95 ILE HB . 10039 1 1193 . 1 1 95 95 ILE HG12 H 1 0.475 0.030 . 2 . . . . 95 ILE HG12 . 10039 1 1194 . 1 1 95 95 ILE HG13 H 1 1.069 0.030 . 2 . . . . 95 ILE HG13 . 10039 1 1195 . 1 1 95 95 ILE HG21 H 1 0.726 0.030 . 1 . . . . 95 ILE HG2 . 10039 1 1196 . 1 1 95 95 ILE HG22 H 1 0.726 0.030 . 1 . . . . 95 ILE HG2 . 10039 1 1197 . 1 1 95 95 ILE HG23 H 1 0.726 0.030 . 1 . . . . 95 ILE HG2 . 10039 1 1198 . 1 1 95 95 ILE HD11 H 1 0.482 0.030 . 1 . . . . 95 ILE HD1 . 10039 1 1199 . 1 1 95 95 ILE HD12 H 1 0.482 0.030 . 1 . . . . 95 ILE HD1 . 10039 1 1200 . 1 1 95 95 ILE HD13 H 1 0.482 0.030 . 1 . . . . 95 ILE HD1 . 10039 1 1201 . 1 1 95 95 ILE C C 13 178.025 0.300 . 1 . . . . 95 ILE C . 10039 1 1202 . 1 1 95 95 ILE CA C 13 65.969 0.300 . 1 . . . . 95 ILE CA . 10039 1 1203 . 1 1 95 95 ILE CB C 13 36.614 0.300 . 1 . . . . 95 ILE CB . 10039 1 1204 . 1 1 95 95 ILE CG1 C 13 28.624 0.300 . 1 . . . . 95 ILE CG1 . 10039 1 1205 . 1 1 95 95 ILE CG2 C 13 16.699 0.300 . 1 . . . . 95 ILE CG2 . 10039 1 1206 . 1 1 95 95 ILE CD1 C 13 13.409 0.300 . 1 . . . . 95 ILE CD1 . 10039 1 1207 . 1 1 95 95 ILE N N 15 120.875 0.300 . 1 . . . . 95 ILE N . 10039 1 1208 . 1 1 96 96 ASP H H 1 8.238 0.030 . 1 . . . . 96 ASP H . 10039 1 1209 . 1 1 96 96 ASP HA H 1 4.316 0.030 . 1 . . . . 96 ASP HA . 10039 1 1210 . 1 1 96 96 ASP HB2 H 1 2.600 0.030 . 2 . . . . 96 ASP HB2 . 10039 1 1211 . 1 1 96 96 ASP HB3 H 1 2.698 0.030 . 2 . . . . 96 ASP HB3 . 10039 1 1212 . 1 1 96 96 ASP C C 13 178.773 0.300 . 1 . . . . 96 ASP C . 10039 1 1213 . 1 1 96 96 ASP CA C 13 57.571 0.300 . 1 . . . . 96 ASP CA . 10039 1 1214 . 1 1 96 96 ASP CB C 13 39.944 0.300 . 1 . . . . 96 ASP CB . 10039 1 1215 . 1 1 96 96 ASP N N 15 119.495 0.300 . 1 . . . . 96 ASP N . 10039 1 1216 . 1 1 97 97 ALA H H 1 7.694 0.030 . 1 . . . . 97 ALA H . 10039 1 1217 . 1 1 97 97 ALA HA H 1 4.095 0.030 . 1 . . . . 97 ALA HA . 10039 1 1218 . 1 1 97 97 ALA HB1 H 1 1.182 0.030 . 1 . . . . 97 ALA HB . 10039 1 1219 . 1 1 97 97 ALA HB2 H 1 1.182 0.030 . 1 . . . . 97 ALA HB . 10039 1 1220 . 1 1 97 97 ALA HB3 H 1 1.182 0.030 . 1 . . . . 97 ALA HB . 10039 1 1221 . 1 1 97 97 ALA C C 13 180.917 0.300 . 1 . . . . 97 ALA C . 10039 1 1222 . 1 1 97 97 ALA CA C 13 54.872 0.300 . 1 . . . . 97 ALA CA . 10039 1 1223 . 1 1 97 97 ALA CB C 13 19.200 0.300 . 1 . . . . 97 ALA CB . 10039 1 1224 . 1 1 97 97 ALA N N 15 122.507 0.300 . 1 . . . . 97 ALA N . 10039 1 1225 . 1 1 98 98 PHE H H 1 9.157 0.030 . 1 . . . . 98 PHE H . 10039 1 1226 . 1 1 98 98 PHE HA H 1 3.998 0.030 . 1 . . . . 98 PHE HA . 10039 1 1227 . 1 1 98 98 PHE HB2 H 1 3.182 0.030 . 2 . . . . 98 PHE HB2 . 10039 1 1228 . 1 1 98 98 PHE HB3 H 1 2.781 0.030 . 2 . . . . 98 PHE HB3 . 10039 1 1229 . 1 1 98 98 PHE HD1 H 1 7.235 0.030 . 1 . . . . 98 PHE HD1 . 10039 1 1230 . 1 1 98 98 PHE HD2 H 1 7.235 0.030 . 1 . . . . 98 PHE HD2 . 10039 1 1231 . 1 1 98 98 PHE HE1 H 1 6.774 0.030 . 1 . . . . 98 PHE HE1 . 10039 1 1232 . 1 1 98 98 PHE HE2 H 1 6.774 0.030 . 1 . . . . 98 PHE HE2 . 10039 1 1233 . 1 1 98 98 PHE HZ H 1 6.005 0.030 . 1 . . . . 98 PHE HZ . 10039 1 1234 . 1 1 98 98 PHE C C 13 178.543 0.300 . 1 . . . . 98 PHE C . 10039 1 1235 . 1 1 98 98 PHE CA C 13 62.917 0.300 . 1 . . . . 98 PHE CA . 10039 1 1236 . 1 1 98 98 PHE CB C 13 39.656 0.300 . 1 . . . . 98 PHE CB . 10039 1 1237 . 1 1 98 98 PHE CD1 C 13 131.618 0.300 . 1 . . . . 98 PHE CD1 . 10039 1 1238 . 1 1 98 98 PHE CD2 C 13 131.618 0.300 . 1 . . . . 98 PHE CD2 . 10039 1 1239 . 1 1 98 98 PHE CE1 C 13 131.084 0.300 . 1 . . . . 98 PHE CE1 . 10039 1 1240 . 1 1 98 98 PHE CE2 C 13 131.084 0.300 . 1 . . . . 98 PHE CE2 . 10039 1 1241 . 1 1 98 98 PHE CZ C 13 129.369 0.300 . 1 . . . . 98 PHE CZ . 10039 1 1242 . 1 1 98 98 PHE N N 15 118.698 0.300 . 1 . . . . 98 PHE N . 10039 1 1243 . 1 1 99 99 GLN H H 1 8.967 0.030 . 1 . . . . 99 GLN H . 10039 1 1244 . 1 1 99 99 GLN HA H 1 4.039 0.030 . 1 . . . . 99 GLN HA . 10039 1 1245 . 1 1 99 99 GLN HB2 H 1 2.284 0.030 . 2 . . . . 99 GLN HB2 . 10039 1 1246 . 1 1 99 99 GLN HB3 H 1 2.126 0.030 . 2 . . . . 99 GLN HB3 . 10039 1 1247 . 1 1 99 99 GLN HG2 H 1 2.539 0.030 . 2 . . . . 99 GLN HG2 . 10039 1 1248 . 1 1 99 99 GLN HG3 H 1 2.403 0.030 . 2 . . . . 99 GLN HG3 . 10039 1 1249 . 1 1 99 99 GLN HE21 H 1 7.281 0.030 . 2 . . . . 99 GLN HE21 . 10039 1 1250 . 1 1 99 99 GLN HE22 H 1 6.793 0.030 . 2 . . . . 99 GLN HE22 . 10039 1 1251 . 1 1 99 99 GLN C C 13 179.270 0.300 . 1 . . . . 99 GLN C . 10039 1 1252 . 1 1 99 99 GLN CA C 13 59.512 0.300 . 1 . . . . 99 GLN CA . 10039 1 1253 . 1 1 99 99 GLN CB C 13 28.040 0.300 . 1 . . . . 99 GLN CB . 10039 1 1254 . 1 1 99 99 GLN CG C 13 34.394 0.300 . 1 . . . . 99 GLN CG . 10039 1 1255 . 1 1 99 99 GLN N N 15 118.548 0.300 . 1 . . . . 99 GLN N . 10039 1 1256 . 1 1 99 99 GLN NE2 N 15 110.880 0.300 . 1 . . . . 99 GLN NE2 . 10039 1 1257 . 1 1 100 100 GLU H H 1 7.872 0.030 . 1 . . . . 100 GLU H . 10039 1 1258 . 1 1 100 100 GLU HA H 1 4.095 0.030 . 1 . . . . 100 GLU HA . 10039 1 1259 . 1 1 100 100 GLU HB2 H 1 2.077 0.030 . 1 . . . . 100 GLU HB2 . 10039 1 1260 . 1 1 100 100 GLU HB3 H 1 2.077 0.030 . 1 . . . . 100 GLU HB3 . 10039 1 1261 . 1 1 100 100 GLU HG2 H 1 2.376 0.030 . 2 . . . . 100 GLU HG2 . 10039 1 1262 . 1 1 100 100 GLU HG3 H 1 2.244 0.030 . 2 . . . . 100 GLU HG3 . 10039 1 1263 . 1 1 100 100 GLU C C 13 178.289 0.300 . 1 . . . . 100 GLU C . 10039 1 1264 . 1 1 100 100 GLU CA C 13 58.930 0.300 . 1 . . . . 100 GLU CA . 10039 1 1265 . 1 1 100 100 GLU CB C 13 29.296 0.300 . 1 . . . . 100 GLU CB . 10039 1 1266 . 1 1 100 100 GLU CG C 13 36.121 0.300 . 1 . . . . 100 GLU CG . 10039 1 1267 . 1 1 100 100 GLU N N 15 119.741 0.300 . 1 . . . . 100 GLU N . 10039 1 1268 . 1 1 101 101 GLY H H 1 7.973 0.030 . 1 . . . . 101 GLY H . 10039 1 1269 . 1 1 101 101 GLY HA2 H 1 3.943 0.030 . 2 . . . . 101 GLY HA2 . 10039 1 1270 . 1 1 101 101 GLY HA3 H 1 3.376 0.030 . 2 . . . . 101 GLY HA3 . 10039 1 1271 . 1 1 101 101 GLY C C 13 172.353 0.300 . 1 . . . . 101 GLY C . 10039 1 1272 . 1 1 101 101 GLY CA C 13 46.527 0.300 . 1 . . . . 101 GLY CA . 10039 1 1273 . 1 1 101 101 GLY N N 15 105.819 0.300 . 1 . . . . 101 GLY N . 10039 1 1274 . 1 1 102 102 THR H H 1 7.588 0.030 . 1 . . . . 102 THR H . 10039 1 1275 . 1 1 102 102 THR HA H 1 4.496 0.030 . 1 . . . . 102 THR HA . 10039 1 1276 . 1 1 102 102 THR HB H 1 4.744 0.030 . 1 . . . . 102 THR HB . 10039 1 1277 . 1 1 102 102 THR HG21 H 1 1.421 0.030 . 1 . . . . 102 THR HG2 . 10039 1 1278 . 1 1 102 102 THR HG22 H 1 1.421 0.030 . 1 . . . . 102 THR HG2 . 10039 1 1279 . 1 1 102 102 THR HG23 H 1 1.421 0.030 . 1 . . . . 102 THR HG2 . 10039 1 1280 . 1 1 102 102 THR C C 13 175.696 0.300 . 1 . . . . 102 THR C . 10039 1 1281 . 1 1 102 102 THR CA C 13 62.123 0.300 . 1 . . . . 102 THR CA . 10039 1 1282 . 1 1 102 102 THR CB C 13 70.983 0.300 . 1 . . . . 102 THR CB . 10039 1 1283 . 1 1 102 102 THR CG2 C 13 21.978 0.300 . 1 . . . . 102 THR CG2 . 10039 1 1284 . 1 1 102 102 THR N N 15 106.461 0.300 . 1 . . . . 102 THR N . 10039 1 1285 . 1 1 103 103 VAL H H 1 7.367 0.030 . 1 . . . . 103 VAL H . 10039 1 1286 . 1 1 103 103 VAL HA H 1 4.344 0.030 . 1 . . . . 103 VAL HA . 10039 1 1287 . 1 1 103 103 VAL HB H 1 2.194 0.030 . 1 . . . . 103 VAL HB . 10039 1 1288 . 1 1 103 103 VAL HG11 H 1 1.003 0.030 . 1 . . . . 103 VAL HG1 . 10039 1 1289 . 1 1 103 103 VAL HG12 H 1 1.003 0.030 . 1 . . . . 103 VAL HG1 . 10039 1 1290 . 1 1 103 103 VAL HG13 H 1 1.003 0.030 . 1 . . . . 103 VAL HG1 . 10039 1 1291 . 1 1 103 103 VAL HG21 H 1 1.021 0.030 . 1 . . . . 103 VAL HG2 . 10039 1 1292 . 1 1 103 103 VAL HG22 H 1 1.021 0.030 . 1 . . . . 103 VAL HG2 . 10039 1 1293 . 1 1 103 103 VAL HG23 H 1 1.021 0.030 . 1 . . . . 103 VAL HG2 . 10039 1 1294 . 1 1 103 103 VAL C C 13 175.769 0.300 . 1 . . . . 103 VAL C . 10039 1 1295 . 1 1 103 103 VAL CA C 13 61.647 0.300 . 1 . . . . 103 VAL CA . 10039 1 1296 . 1 1 103 103 VAL CB C 13 33.608 0.300 . 1 . . . . 103 VAL CB . 10039 1 1297 . 1 1 103 103 VAL CG1 C 13 21.403 0.300 . 2 . . . . 103 VAL CG1 . 10039 1 1298 . 1 1 103 103 VAL CG2 C 13 20.270 0.300 . 2 . . . . 103 VAL CG2 . 10039 1 1299 . 1 1 103 103 VAL N N 15 119.728 0.300 . 1 . . . . 103 VAL N . 10039 1 1300 . 1 1 104 104 SER H H 1 8.559 0.030 . 1 . . . . 104 SER H . 10039 1 1301 . 1 1 104 104 SER HA H 1 4.440 0.030 . 1 . . . . 104 SER HA . 10039 1 1302 . 1 1 104 104 SER HB2 H 1 3.887 0.030 . 1 . . . . 104 SER HB2 . 10039 1 1303 . 1 1 104 104 SER HB3 H 1 3.887 0.030 . 1 . . . . 104 SER HB3 . 10039 1 1304 . 1 1 104 104 SER C C 13 174.848 0.300 . 1 . . . . 104 SER C . 10039 1 1305 . 1 1 104 104 SER CA C 13 58.506 0.300 . 1 . . . . 104 SER CA . 10039 1 1306 . 1 1 104 104 SER CB C 13 64.077 0.300 . 1 . . . . 104 SER CB . 10039 1 1307 . 1 1 104 104 SER N N 15 119.070 0.300 . 1 . . . . 104 SER N . 10039 1 1308 . 1 1 105 105 GLY H H 1 8.252 0.030 . 1 . . . . 105 GLY H . 10039 1 1309 . 1 1 105 105 GLY HA2 H 1 4.101 0.030 . 2 . . . . 105 GLY HA2 . 10039 1 1310 . 1 1 105 105 GLY HA3 H 1 4.199 0.030 . 2 . . . . 105 GLY HA3 . 10039 1 1311 . 1 1 105 105 GLY C C 13 171.577 0.300 . 1 . . . . 105 GLY C . 10039 1 1312 . 1 1 105 105 GLY CA C 13 44.640 0.300 . 1 . . . . 105 GLY CA . 10039 1 1313 . 1 1 105 105 GLY N N 15 110.708 0.300 . 1 . . . . 105 GLY N . 10039 1 1314 . 1 1 106 106 PRO HA H 1 4.489 0.030 . 1 . . . . 106 PRO HA . 10039 1 1315 . 1 1 106 106 PRO HB2 H 1 2.297 0.030 . 2 . . . . 106 PRO HB2 . 10039 1 1316 . 1 1 106 106 PRO HB3 H 1 1.975 0.030 . 2 . . . . 106 PRO HB3 . 10039 1 1317 . 1 1 106 106 PRO HG2 H 1 2.009 0.030 . 1 . . . . 106 PRO HG2 . 10039 1 1318 . 1 1 106 106 PRO HG3 H 1 2.009 0.030 . 1 . . . . 106 PRO HG3 . 10039 1 1319 . 1 1 106 106 PRO HD2 H 1 3.622 0.030 . 1 . . . . 106 PRO HD2 . 10039 1 1320 . 1 1 106 106 PRO HD3 H 1 3.622 0.030 . 1 . . . . 106 PRO HD3 . 10039 1 1321 . 1 1 106 106 PRO C C 13 177.416 0.300 . 1 . . . . 106 PRO C . 10039 1 1322 . 1 1 106 106 PRO CA C 13 63.199 0.300 . 1 . . . . 106 PRO CA . 10039 1 1323 . 1 1 106 106 PRO CB C 13 32.256 0.300 . 1 . . . . 106 PRO CB . 10039 1 1324 . 1 1 106 106 PRO CG C 13 27.140 0.300 . 1 . . . . 106 PRO CG . 10039 1 1325 . 1 1 106 106 PRO CD C 13 49.755 0.300 . 1 . . . . 106 PRO CD . 10039 1 1326 . 1 1 107 107 SER H H 1 8.569 0.030 . 1 . . . . 107 SER H . 10039 1 1327 . 1 1 107 107 SER HA H 1 4.496 0.030 . 1 . . . . 107 SER HA . 10039 1 1328 . 1 1 107 107 SER HB2 H 1 3.887 0.030 . 1 . . . . 107 SER HB2 . 10039 1 1329 . 1 1 107 107 SER HB3 H 1 3.887 0.030 . 1 . . . . 107 SER HB3 . 10039 1 1330 . 1 1 107 107 SER C C 13 174.691 0.300 . 1 . . . . 107 SER C . 10039 1 1331 . 1 1 107 107 SER CA C 13 58.401 0.300 . 1 . . . . 107 SER CA . 10039 1 1332 . 1 1 107 107 SER CB C 13 63.994 0.300 . 1 . . . . 107 SER CB . 10039 1 1333 . 1 1 107 107 SER N N 15 116.605 0.300 . 1 . . . . 107 SER N . 10039 1 1334 . 1 1 108 108 SER H H 1 8.368 0.030 . 1 . . . . 108 SER H . 10039 1 1335 . 1 1 108 108 SER HA H 1 4.496 0.030 . 1 . . . . 108 SER HA . 10039 1 1336 . 1 1 108 108 SER HB2 H 1 3.874 0.030 . 1 . . . . 108 SER HB2 . 10039 1 1337 . 1 1 108 108 SER HB3 H 1 3.874 0.030 . 1 . . . . 108 SER HB3 . 10039 1 1338 . 1 1 108 108 SER C C 13 173.927 0.300 . 1 . . . . 108 SER C . 10039 1 1339 . 1 1 108 108 SER CA C 13 58.419 0.300 . 1 . . . . 108 SER CA . 10039 1 1340 . 1 1 108 108 SER CB C 13 64.035 0.300 . 1 . . . . 108 SER CB . 10039 1 1341 . 1 1 108 108 SER N N 15 117.905 0.300 . 1 . . . . 108 SER N . 10039 1 1342 . 1 1 109 109 GLY H H 1 8.057 0.030 . 1 . . . . 109 GLY H . 10039 1 1343 . 1 1 109 109 GLY C C 13 178.991 0.300 . 1 . . . . 109 GLY C . 10039 1 1344 . 1 1 109 109 GLY CA C 13 46.228 0.300 . 1 . . . . 109 GLY CA . 10039 1 1345 . 1 1 109 109 GLY N N 15 116.861 0.300 . 1 . . . . 109 GLY N . 10039 1 stop_ save_