data_10060 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10060 _Entry.Title ; Solution structure of hypothetical protein C330018D20Rik from Mus musculus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-11-29 _Entry.Accession_date 2006-11-30 _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 M. Sato . . . 10060 2 S. Koshiba . . . 10060 3 M. Inoue . . . 10060 4 T. Kigawa . . . 10060 5 S. Yokoyama . . . 10060 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' . 10060 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10060 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 434 10060 '15N chemical shifts' 94 10060 '1H chemical shifts' 699 10060 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 2006-11-29 original author . 10060 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WJK 'BMRB Entry Tracking System' 10060 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10060 _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 hypothetical protein C330018D20Rik from Mus musculus' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Sato . . . 10060 1 2 S. Koshiba . . . 10060 1 3 M. Inoue . . . 10060 1 4 T. Kigawa . . . 10060 1 5 S. Yokoyama . . . 10060 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10060 _Assembly.ID 1 _Assembly.Name 'C330018D20rik protein' _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' 10060 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 'C330018D20rik protein' 1 $entity_1 . . yes native no no . . . 10060 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 1WJK . . . . . . 10060 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10060 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'glutaredoxin 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 ; GSSGSSGNLSASNRALPVLT LFTKAPCPLCDEAKEVLQPY KDRFILQEVDITLPENSTWY ERYKFDIPVFHLNGQFLMMH RVNTSKLEKQLRKLSGPSSG ; _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 100 _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 1WJK . "Solution Structure Of Hypothetical Protein C330018d20rik From Mus Musculus" . . . . . 100.00 100 100.00 100.00 1.76e-67 . . . . 10060 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'glutaredoxin domain' . 10060 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 . 10060 1 2 . SER . 10060 1 3 . SER . 10060 1 4 . GLY . 10060 1 5 . SER . 10060 1 6 . SER . 10060 1 7 . GLY . 10060 1 8 . ASN . 10060 1 9 . LEU . 10060 1 10 . SER . 10060 1 11 . ALA . 10060 1 12 . SER . 10060 1 13 . ASN . 10060 1 14 . ARG . 10060 1 15 . ALA . 10060 1 16 . LEU . 10060 1 17 . PRO . 10060 1 18 . VAL . 10060 1 19 . LEU . 10060 1 20 . THR . 10060 1 21 . LEU . 10060 1 22 . PHE . 10060 1 23 . THR . 10060 1 24 . LYS . 10060 1 25 . ALA . 10060 1 26 . PRO . 10060 1 27 . CYS . 10060 1 28 . PRO . 10060 1 29 . LEU . 10060 1 30 . CYS . 10060 1 31 . ASP . 10060 1 32 . GLU . 10060 1 33 . ALA . 10060 1 34 . LYS . 10060 1 35 . GLU . 10060 1 36 . VAL . 10060 1 37 . LEU . 10060 1 38 . GLN . 10060 1 39 . PRO . 10060 1 40 . TYR . 10060 1 41 . LYS . 10060 1 42 . ASP . 10060 1 43 . ARG . 10060 1 44 . PHE . 10060 1 45 . ILE . 10060 1 46 . LEU . 10060 1 47 . GLN . 10060 1 48 . GLU . 10060 1 49 . VAL . 10060 1 50 . ASP . 10060 1 51 . ILE . 10060 1 52 . THR . 10060 1 53 . LEU . 10060 1 54 . PRO . 10060 1 55 . GLU . 10060 1 56 . ASN . 10060 1 57 . SER . 10060 1 58 . THR . 10060 1 59 . TRP . 10060 1 60 . TYR . 10060 1 61 . GLU . 10060 1 62 . ARG . 10060 1 63 . TYR . 10060 1 64 . LYS . 10060 1 65 . PHE . 10060 1 66 . ASP . 10060 1 67 . ILE . 10060 1 68 . PRO . 10060 1 69 . VAL . 10060 1 70 . PHE . 10060 1 71 . HIS . 10060 1 72 . LEU . 10060 1 73 . ASN . 10060 1 74 . GLY . 10060 1 75 . GLN . 10060 1 76 . PHE . 10060 1 77 . LEU . 10060 1 78 . MET . 10060 1 79 . MET . 10060 1 80 . HIS . 10060 1 81 . ARG . 10060 1 82 . VAL . 10060 1 83 . ASN . 10060 1 84 . THR . 10060 1 85 . SER . 10060 1 86 . LYS . 10060 1 87 . LEU . 10060 1 88 . GLU . 10060 1 89 . LYS . 10060 1 90 . GLN . 10060 1 91 . LEU . 10060 1 92 . ARG . 10060 1 93 . LYS . 10060 1 94 . LEU . 10060 1 95 . SER . 10060 1 96 . GLY . 10060 1 97 . PRO . 10060 1 98 . SER . 10060 1 99 . SER . 10060 1 100 . GLY . 10060 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 10060 1 . SER 2 2 10060 1 . SER 3 3 10060 1 . GLY 4 4 10060 1 . SER 5 5 10060 1 . SER 6 6 10060 1 . GLY 7 7 10060 1 . ASN 8 8 10060 1 . LEU 9 9 10060 1 . SER 10 10 10060 1 . ALA 11 11 10060 1 . SER 12 12 10060 1 . ASN 13 13 10060 1 . ARG 14 14 10060 1 . ALA 15 15 10060 1 . LEU 16 16 10060 1 . PRO 17 17 10060 1 . VAL 18 18 10060 1 . LEU 19 19 10060 1 . THR 20 20 10060 1 . LEU 21 21 10060 1 . PHE 22 22 10060 1 . THR 23 23 10060 1 . LYS 24 24 10060 1 . ALA 25 25 10060 1 . PRO 26 26 10060 1 . CYS 27 27 10060 1 . PRO 28 28 10060 1 . LEU 29 29 10060 1 . CYS 30 30 10060 1 . ASP 31 31 10060 1 . GLU 32 32 10060 1 . ALA 33 33 10060 1 . LYS 34 34 10060 1 . GLU 35 35 10060 1 . VAL 36 36 10060 1 . LEU 37 37 10060 1 . GLN 38 38 10060 1 . PRO 39 39 10060 1 . TYR 40 40 10060 1 . LYS 41 41 10060 1 . ASP 42 42 10060 1 . ARG 43 43 10060 1 . PHE 44 44 10060 1 . ILE 45 45 10060 1 . LEU 46 46 10060 1 . GLN 47 47 10060 1 . GLU 48 48 10060 1 . VAL 49 49 10060 1 . ASP 50 50 10060 1 . ILE 51 51 10060 1 . THR 52 52 10060 1 . LEU 53 53 10060 1 . PRO 54 54 10060 1 . GLU 55 55 10060 1 . ASN 56 56 10060 1 . SER 57 57 10060 1 . THR 58 58 10060 1 . TRP 59 59 10060 1 . TYR 60 60 10060 1 . GLU 61 61 10060 1 . ARG 62 62 10060 1 . TYR 63 63 10060 1 . LYS 64 64 10060 1 . PHE 65 65 10060 1 . ASP 66 66 10060 1 . ILE 67 67 10060 1 . PRO 68 68 10060 1 . VAL 69 69 10060 1 . PHE 70 70 10060 1 . HIS 71 71 10060 1 . LEU 72 72 10060 1 . ASN 73 73 10060 1 . GLY 74 74 10060 1 . GLN 75 75 10060 1 . PHE 76 76 10060 1 . LEU 77 77 10060 1 . MET 78 78 10060 1 . MET 79 79 10060 1 . HIS 80 80 10060 1 . ARG 81 81 10060 1 . VAL 82 82 10060 1 . ASN 83 83 10060 1 . THR 84 84 10060 1 . SER 85 85 10060 1 . LYS 86 86 10060 1 . LEU 87 87 10060 1 . GLU 88 88 10060 1 . LYS 89 89 10060 1 . GLN 90 90 10060 1 . LEU 91 91 10060 1 . ARG 92 92 10060 1 . LYS 93 93 10060 1 . LEU 94 94 10060 1 . SER 95 95 10060 1 . GLY 96 96 10060 1 . PRO 97 97 10060 1 . SER 98 98 10060 1 . SER 99 99 10060 1 . GLY 100 100 10060 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 10060 _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 . . . . . . . . . . . . . . . . . . . . . 10060 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 10060 _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 . . P031125-30 . . . . . . 10060 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10060 _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 'glutaredoxin domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.6 . . mM . . . . 10060 1 2 'd-Tris HCl' . . . . . . buffer 20 . . mM . . . . 10060 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10060 1 4 d-DTT . . . . . . salt 10 . . mM . . . . 10060 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10060 1 6 H2O . . . . . . solvent 90 . . % . . . . 10060 1 7 D2O . . . . . . solvent 10 . . % . . . . 10060 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 10060 _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 10060 1 pH 7.0 0.05 pH 10060 1 pressure 1 0.001 atm 10060 1 temperature 298 0.1 K 10060 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10060 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10060 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10060 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10060 _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.' . . 10060 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10060 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10060 _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.' . . 10060 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10060 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10060 _Software.ID 4 _Software.Name Kujira _Software.Version 0.8996 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10060 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10060 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10060 _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.' . . 10060 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10060 5 'structure solution' 10060 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 10060 _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 10060 _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 . . . . . . . . . . . . . . . . 10060 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10060 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 10060 _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 10060 _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 10060 _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 . . . . . . . . . 10060 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10060 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10060 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 10060 _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 10060 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10060 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 5 5 SER HA H 1 4.508 0.030 . 1 . . . . 5 SER HA . 10060 1 2 . 1 1 5 5 SER HB2 H 1 3.898 0.030 . 1 . . . . 5 SER HB2 . 10060 1 3 . 1 1 5 5 SER HB3 H 1 3.898 0.030 . 1 . . . . 5 SER HB3 . 10060 1 4 . 1 1 5 5 SER C C 13 174.844 0.300 . 1 . . . . 5 SER C . 10060 1 5 . 1 1 5 5 SER CA C 13 58.416 0.300 . 1 . . . . 5 SER CA . 10060 1 6 . 1 1 5 5 SER CB C 13 63.741 0.300 . 1 . . . . 5 SER CB . 10060 1 7 . 1 1 6 6 SER H H 1 8.432 0.030 . 1 . . . . 6 SER H . 10060 1 8 . 1 1 6 6 SER HA H 1 4.482 0.030 . 1 . . . . 6 SER HA . 10060 1 9 . 1 1 6 6 SER HB2 H 1 3.898 0.030 . 1 . . . . 6 SER HB2 . 10060 1 10 . 1 1 6 6 SER HB3 H 1 3.898 0.030 . 1 . . . . 6 SER HB3 . 10060 1 11 . 1 1 6 6 SER C C 13 175.047 0.300 . 1 . . . . 6 SER C . 10060 1 12 . 1 1 6 6 SER CA C 13 58.683 0.300 . 1 . . . . 6 SER CA . 10060 1 13 . 1 1 6 6 SER CB C 13 63.641 0.300 . 1 . . . . 6 SER CB . 10060 1 14 . 1 1 6 6 SER N N 15 117.846 0.300 . 1 . . . . 6 SER N . 10060 1 15 . 1 1 7 7 GLY H H 1 8.386 0.030 . 1 . . . . 7 GLY H . 10060 1 16 . 1 1 7 7 GLY HA2 H 1 4.022 0.030 . 2 . . . . 7 GLY HA2 . 10060 1 17 . 1 1 7 7 GLY HA3 H 1 3.956 0.030 . 2 . . . . 7 GLY HA3 . 10060 1 18 . 1 1 7 7 GLY C C 13 173.924 0.300 . 1 . . . . 7 GLY C . 10060 1 19 . 1 1 7 7 GLY CA C 13 45.422 0.300 . 1 . . . . 7 GLY CA . 10060 1 20 . 1 1 7 7 GLY N N 15 110.475 0.300 . 1 . . . . 7 GLY N . 10060 1 21 . 1 1 8 8 ASN H H 1 8.306 0.030 . 1 . . . . 8 ASN H . 10060 1 22 . 1 1 8 8 ASN HA H 1 4.644 0.030 . 1 . . . . 8 ASN HA . 10060 1 23 . 1 1 8 8 ASN HB2 H 1 2.836 0.030 . 2 . . . . 8 ASN HB2 . 10060 1 24 . 1 1 8 8 ASN HB3 H 1 2.681 0.030 . 2 . . . . 8 ASN HB3 . 10060 1 25 . 1 1 8 8 ASN C C 13 175.453 0.300 . 1 . . . . 8 ASN C . 10060 1 26 . 1 1 8 8 ASN CA C 13 53.257 0.300 . 1 . . . . 8 ASN CA . 10060 1 27 . 1 1 8 8 ASN CB C 13 38.735 0.300 . 1 . . . . 8 ASN CB . 10060 1 28 . 1 1 8 8 ASN N N 15 118.827 0.300 . 1 . . . . 8 ASN N . 10060 1 29 . 1 1 9 9 LEU H H 1 8.307 0.030 . 1 . . . . 9 LEU H . 10060 1 30 . 1 1 9 9 LEU HA H 1 4.339 0.030 . 1 . . . . 9 LEU HA . 10060 1 31 . 1 1 9 9 LEU HB2 H 1 1.640 0.030 . 1 . . . . 9 LEU HB2 . 10060 1 32 . 1 1 9 9 LEU HB3 H 1 1.640 0.030 . 1 . . . . 9 LEU HB3 . 10060 1 33 . 1 1 9 9 LEU HG H 1 1.614 0.030 . 1 . . . . 9 LEU HG . 10060 1 34 . 1 1 9 9 LEU HD11 H 1 0.875 0.030 . 1 . . . . 9 LEU HD1 . 10060 1 35 . 1 1 9 9 LEU HD12 H 1 0.875 0.030 . 1 . . . . 9 LEU HD1 . 10060 1 36 . 1 1 9 9 LEU HD13 H 1 0.875 0.030 . 1 . . . . 9 LEU HD1 . 10060 1 37 . 1 1 9 9 LEU HD21 H 1 0.875 0.030 . 1 . . . . 9 LEU HD2 . 10060 1 38 . 1 1 9 9 LEU HD22 H 1 0.875 0.030 . 1 . . . . 9 LEU HD2 . 10060 1 39 . 1 1 9 9 LEU HD23 H 1 0.875 0.030 . 1 . . . . 9 LEU HD2 . 10060 1 40 . 1 1 9 9 LEU C C 13 177.640 0.300 . 1 . . . . 9 LEU C . 10060 1 41 . 1 1 9 9 LEU CA C 13 55.521 0.300 . 1 . . . . 9 LEU CA . 10060 1 42 . 1 1 9 9 LEU CB C 13 42.233 0.300 . 1 . . . . 9 LEU CB . 10060 1 43 . 1 1 9 9 LEU CG C 13 26.946 0.300 . 1 . . . . 9 LEU CG . 10060 1 44 . 1 1 9 9 LEU CD1 C 13 25.133 0.300 . 2 . . . . 9 LEU CD1 . 10060 1 45 . 1 1 9 9 LEU CD2 C 13 23.237 0.300 . 2 . . . . 9 LEU CD2 . 10060 1 46 . 1 1 9 9 LEU N N 15 122.788 0.300 . 1 . . . . 9 LEU N . 10060 1 47 . 1 1 10 10 SER H H 1 8.294 0.030 . 1 . . . . 10 SER H . 10060 1 48 . 1 1 10 10 SER HA H 1 4.361 0.030 . 1 . . . . 10 SER HA . 10060 1 49 . 1 1 10 10 SER HB2 H 1 3.898 0.030 . 1 . . . . 10 SER HB2 . 10060 1 50 . 1 1 10 10 SER HB3 H 1 3.898 0.030 . 1 . . . . 10 SER HB3 . 10060 1 51 . 1 1 10 10 SER C C 13 174.538 0.300 . 1 . . . . 10 SER C . 10060 1 52 . 1 1 10 10 SER CA C 13 58.486 0.300 . 1 . . . . 10 SER CA . 10060 1 53 . 1 1 10 10 SER CB C 13 63.582 0.300 . 1 . . . . 10 SER CB . 10060 1 54 . 1 1 10 10 SER N N 15 116.370 0.300 . 1 . . . . 10 SER N . 10060 1 55 . 1 1 11 11 ALA H H 1 8.304 0.030 . 1 . . . . 11 ALA H . 10060 1 56 . 1 1 11 11 ALA HA H 1 4.329 0.030 . 1 . . . . 11 ALA HA . 10060 1 57 . 1 1 11 11 ALA HB1 H 1 1.407 0.030 . 1 . . . . 11 ALA HB . 10060 1 58 . 1 1 11 11 ALA HB2 H 1 1.407 0.030 . 1 . . . . 11 ALA HB . 10060 1 59 . 1 1 11 11 ALA HB3 H 1 1.407 0.030 . 1 . . . . 11 ALA HB . 10060 1 60 . 1 1 11 11 ALA C C 13 177.952 0.300 . 1 . . . . 11 ALA C . 10060 1 61 . 1 1 11 11 ALA CA C 13 52.795 0.300 . 1 . . . . 11 ALA CA . 10060 1 62 . 1 1 11 11 ALA CB C 13 19.137 0.300 . 1 . . . . 11 ALA CB . 10060 1 63 . 1 1 11 11 ALA N N 15 125.648 0.300 . 1 . . . . 11 ALA N . 10060 1 64 . 1 1 12 12 SER H H 1 8.211 0.030 . 1 . . . . 12 SER H . 10060 1 65 . 1 1 12 12 SER HA H 1 4.378 0.030 . 1 . . . . 12 SER HA . 10060 1 66 . 1 1 12 12 SER HB2 H 1 3.846 0.030 . 1 . . . . 12 SER HB2 . 10060 1 67 . 1 1 12 12 SER HB3 H 1 3.846 0.030 . 1 . . . . 12 SER HB3 . 10060 1 68 . 1 1 12 12 SER C C 13 174.472 0.300 . 1 . . . . 12 SER C . 10060 1 69 . 1 1 12 12 SER CA C 13 58.576 0.300 . 1 . . . . 12 SER CA . 10060 1 70 . 1 1 12 12 SER CB C 13 63.515 0.300 . 1 . . . . 12 SER CB . 10060 1 71 . 1 1 12 12 SER N N 15 114.328 0.300 . 1 . . . . 12 SER N . 10060 1 72 . 1 1 13 13 ASN H H 1 8.308 0.030 . 1 . . . . 13 ASN H . 10060 1 73 . 1 1 13 13 ASN HA H 1 4.702 0.030 . 1 . . . . 13 ASN HA . 10060 1 74 . 1 1 13 13 ASN HB2 H 1 2.837 0.030 . 2 . . . . 13 ASN HB2 . 10060 1 75 . 1 1 13 13 ASN HB3 H 1 2.758 0.030 . 2 . . . . 13 ASN HB3 . 10060 1 76 . 1 1 13 13 ASN C C 13 174.980 0.300 . 1 . . . . 13 ASN C . 10060 1 77 . 1 1 13 13 ASN CA C 13 53.347 0.300 . 1 . . . . 13 ASN CA . 10060 1 78 . 1 1 13 13 ASN CB C 13 38.775 0.300 . 1 . . . . 13 ASN CB . 10060 1 79 . 1 1 13 13 ASN N N 15 120.594 0.300 . 1 . . . . 13 ASN N . 10060 1 80 . 1 1 14 14 ARG H H 1 8.144 0.030 . 1 . . . . 14 ARG H . 10060 1 81 . 1 1 14 14 ARG HA H 1 4.312 0.030 . 1 . . . . 14 ARG HA . 10060 1 82 . 1 1 14 14 ARG HB2 H 1 1.855 0.030 . 2 . . . . 14 ARG HB2 . 10060 1 83 . 1 1 14 14 ARG HB3 H 1 1.735 0.030 . 2 . . . . 14 ARG HB3 . 10060 1 84 . 1 1 14 14 ARG HG2 H 1 1.628 0.030 . 1 . . . . 14 ARG HG2 . 10060 1 85 . 1 1 14 14 ARG HG3 H 1 1.628 0.030 . 1 . . . . 14 ARG HG3 . 10060 1 86 . 1 1 14 14 ARG HD2 H 1 3.184 0.030 . 1 . . . . 14 ARG HD2 . 10060 1 87 . 1 1 14 14 ARG HD3 H 1 3.184 0.030 . 1 . . . . 14 ARG HD3 . 10060 1 88 . 1 1 14 14 ARG C C 13 175.658 0.300 . 1 . . . . 14 ARG C . 10060 1 89 . 1 1 14 14 ARG CA C 13 55.970 0.300 . 1 . . . . 14 ARG CA . 10060 1 90 . 1 1 14 14 ARG CB C 13 30.861 0.300 . 1 . . . . 14 ARG CB . 10060 1 91 . 1 1 14 14 ARG CG C 13 26.856 0.300 . 1 . . . . 14 ARG CG . 10060 1 92 . 1 1 14 14 ARG CD C 13 43.512 0.300 . 1 . . . . 14 ARG CD . 10060 1 93 . 1 1 14 14 ARG N N 15 121.005 0.300 . 1 . . . . 14 ARG N . 10060 1 94 . 1 1 15 15 ALA H H 1 8.308 0.030 . 1 . . . . 15 ALA H . 10060 1 95 . 1 1 15 15 ALA HA H 1 4.341 0.030 . 1 . . . . 15 ALA HA . 10060 1 96 . 1 1 15 15 ALA HB1 H 1 1.360 0.030 . 1 . . . . 15 ALA HB . 10060 1 97 . 1 1 15 15 ALA HB2 H 1 1.360 0.030 . 1 . . . . 15 ALA HB . 10060 1 98 . 1 1 15 15 ALA HB3 H 1 1.360 0.030 . 1 . . . . 15 ALA HB . 10060 1 99 . 1 1 15 15 ALA C C 13 177.273 0.300 . 1 . . . . 15 ALA C . 10060 1 100 . 1 1 15 15 ALA CA C 13 52.052 0.300 . 1 . . . . 15 ALA CA . 10060 1 101 . 1 1 15 15 ALA CB C 13 19.323 0.300 . 1 . . . . 15 ALA CB . 10060 1 102 . 1 1 15 15 ALA N N 15 125.522 0.300 . 1 . . . . 15 ALA N . 10060 1 103 . 1 1 16 16 LEU H H 1 7.993 0.030 . 1 . . . . 16 LEU H . 10060 1 104 . 1 1 16 16 LEU HA H 1 4.569 0.030 . 1 . . . . 16 LEU HA . 10060 1 105 . 1 1 16 16 LEU HB2 H 1 1.583 0.030 . 2 . . . . 16 LEU HB2 . 10060 1 106 . 1 1 16 16 LEU HB3 H 1 1.303 0.030 . 2 . . . . 16 LEU HB3 . 10060 1 107 . 1 1 16 16 LEU HG H 1 1.640 0.030 . 1 . . . . 16 LEU HG . 10060 1 108 . 1 1 16 16 LEU HD11 H 1 0.786 0.030 . 1 . . . . 16 LEU HD1 . 10060 1 109 . 1 1 16 16 LEU HD12 H 1 0.786 0.030 . 1 . . . . 16 LEU HD1 . 10060 1 110 . 1 1 16 16 LEU HD13 H 1 0.786 0.030 . 1 . . . . 16 LEU HD1 . 10060 1 111 . 1 1 16 16 LEU HD21 H 1 0.717 0.030 . 1 . . . . 16 LEU HD2 . 10060 1 112 . 1 1 16 16 LEU HD22 H 1 0.717 0.030 . 1 . . . . 16 LEU HD2 . 10060 1 113 . 1 1 16 16 LEU HD23 H 1 0.717 0.030 . 1 . . . . 16 LEU HD2 . 10060 1 114 . 1 1 16 16 LEU C C 13 174.417 0.300 . 1 . . . . 16 LEU C . 10060 1 115 . 1 1 16 16 LEU CA C 13 52.955 0.300 . 1 . . . . 16 LEU CA . 10060 1 116 . 1 1 16 16 LEU CB C 13 42.869 0.300 . 1 . . . . 16 LEU CB . 10060 1 117 . 1 1 16 16 LEU CG C 13 26.878 0.300 . 1 . . . . 16 LEU CG . 10060 1 118 . 1 1 16 16 LEU CD1 C 13 23.034 0.300 . 2 . . . . 16 LEU CD1 . 10060 1 119 . 1 1 16 16 LEU CD2 C 13 25.594 0.300 . 2 . . . . 16 LEU CD2 . 10060 1 120 . 1 1 16 16 LEU N N 15 122.694 0.300 . 1 . . . . 16 LEU N . 10060 1 121 . 1 1 17 17 PRO HA H 1 4.767 0.030 . 1 . . . . 17 PRO HA . 10060 1 122 . 1 1 17 17 PRO HB2 H 1 2.263 0.030 . 2 . . . . 17 PRO HB2 . 10060 1 123 . 1 1 17 17 PRO HB3 H 1 1.666 0.030 . 2 . . . . 17 PRO HB3 . 10060 1 124 . 1 1 17 17 PRO HG2 H 1 2.098 0.030 . 1 . . . . 17 PRO HG2 . 10060 1 125 . 1 1 17 17 PRO HG3 H 1 2.098 0.030 . 1 . . . . 17 PRO HG3 . 10060 1 126 . 1 1 17 17 PRO HD2 H 1 3.959 0.030 . 2 . . . . 17 PRO HD2 . 10060 1 127 . 1 1 17 17 PRO HD3 H 1 3.883 0.030 . 2 . . . . 17 PRO HD3 . 10060 1 128 . 1 1 17 17 PRO CA C 13 62.139 0.300 . 1 . . . . 17 PRO CA . 10060 1 129 . 1 1 17 17 PRO CB C 13 33.031 0.300 . 1 . . . . 17 PRO CB . 10060 1 130 . 1 1 17 17 PRO CG C 13 27.565 0.300 . 1 . . . . 17 PRO CG . 10060 1 131 . 1 1 17 17 PRO CD C 13 50.271 0.300 . 1 . . . . 17 PRO CD . 10060 1 132 . 1 1 18 18 VAL H H 1 8.308 0.030 . 1 . . . . 18 VAL H . 10060 1 133 . 1 1 18 18 VAL HA H 1 4.601 0.030 . 1 . . . . 18 VAL HA . 10060 1 134 . 1 1 18 18 VAL HB H 1 1.970 0.030 . 1 . . . . 18 VAL HB . 10060 1 135 . 1 1 18 18 VAL HG11 H 1 0.717 0.030 . 1 . . . . 18 VAL HG1 . 10060 1 136 . 1 1 18 18 VAL HG12 H 1 0.717 0.030 . 1 . . . . 18 VAL HG1 . 10060 1 137 . 1 1 18 18 VAL HG13 H 1 0.717 0.030 . 1 . . . . 18 VAL HG1 . 10060 1 138 . 1 1 18 18 VAL HG21 H 1 0.939 0.030 . 1 . . . . 18 VAL HG2 . 10060 1 139 . 1 1 18 18 VAL HG22 H 1 0.939 0.030 . 1 . . . . 18 VAL HG2 . 10060 1 140 . 1 1 18 18 VAL HG23 H 1 0.939 0.030 . 1 . . . . 18 VAL HG2 . 10060 1 141 . 1 1 18 18 VAL CA C 13 61.461 0.300 . 1 . . . . 18 VAL CA . 10060 1 142 . 1 1 18 18 VAL CB C 13 33.573 0.300 . 1 . . . . 18 VAL CB . 10060 1 143 . 1 1 18 18 VAL CG1 C 13 20.811 0.300 . 2 . . . . 18 VAL CG1 . 10060 1 144 . 1 1 18 18 VAL CG2 C 13 21.235 0.300 . 2 . . . . 18 VAL CG2 . 10060 1 145 . 1 1 18 18 VAL N N 15 118.851 0.300 . 1 . . . . 18 VAL N . 10060 1 146 . 1 1 19 19 LEU H H 1 9.591 0.030 . 1 . . . . 19 LEU H . 10060 1 147 . 1 1 19 19 LEU HA H 1 5.136 0.030 . 1 . . . . 19 LEU HA . 10060 1 148 . 1 1 19 19 LEU HB2 H 1 1.490 0.030 . 2 . . . . 19 LEU HB2 . 10060 1 149 . 1 1 19 19 LEU HB3 H 1 0.361 0.030 . 2 . . . . 19 LEU HB3 . 10060 1 150 . 1 1 19 19 LEU HG H 1 1.151 0.030 . 1 . . . . 19 LEU HG . 10060 1 151 . 1 1 19 19 LEU HD11 H 1 0.409 0.030 . 1 . . . . 19 LEU HD1 . 10060 1 152 . 1 1 19 19 LEU HD12 H 1 0.409 0.030 . 1 . . . . 19 LEU HD1 . 10060 1 153 . 1 1 19 19 LEU HD13 H 1 0.409 0.030 . 1 . . . . 19 LEU HD1 . 10060 1 154 . 1 1 19 19 LEU HD21 H 1 0.110 0.030 . 1 . . . . 19 LEU HD2 . 10060 1 155 . 1 1 19 19 LEU HD22 H 1 0.110 0.030 . 1 . . . . 19 LEU HD2 . 10060 1 156 . 1 1 19 19 LEU HD23 H 1 0.110 0.030 . 1 . . . . 19 LEU HD2 . 10060 1 157 . 1 1 19 19 LEU C C 13 174.417 0.300 . 1 . . . . 19 LEU C . 10060 1 158 . 1 1 19 19 LEU CA C 13 53.091 0.300 . 1 . . . . 19 LEU CA . 10060 1 159 . 1 1 19 19 LEU CB C 13 43.947 0.300 . 1 . . . . 19 LEU CB . 10060 1 160 . 1 1 19 19 LEU CG C 13 27.134 0.300 . 1 . . . . 19 LEU CG . 10060 1 161 . 1 1 19 19 LEU CD1 C 13 24.856 0.300 . 2 . . . . 19 LEU CD1 . 10060 1 162 . 1 1 19 19 LEU CD2 C 13 25.809 0.300 . 2 . . . . 19 LEU CD2 . 10060 1 163 . 1 1 19 19 LEU N N 15 136.094 0.300 . 1 . . . . 19 LEU N . 10060 1 164 . 1 1 20 20 THR H H 1 9.005 0.030 . 1 . . . . 20 THR H . 10060 1 165 . 1 1 20 20 THR HA H 1 4.806 0.030 . 1 . . . . 20 THR HA . 10060 1 166 . 1 1 20 20 THR HB H 1 3.412 0.030 . 1 . . . . 20 THR HB . 10060 1 167 . 1 1 20 20 THR HG21 H 1 0.103 0.030 . 1 . . . . 20 THR HG2 . 10060 1 168 . 1 1 20 20 THR HG22 H 1 0.103 0.030 . 1 . . . . 20 THR HG2 . 10060 1 169 . 1 1 20 20 THR HG23 H 1 0.103 0.030 . 1 . . . . 20 THR HG2 . 10060 1 170 . 1 1 20 20 THR C C 13 171.948 0.300 . 1 . . . . 20 THR C . 10060 1 171 . 1 1 20 20 THR CA C 13 61.882 0.300 . 1 . . . . 20 THR CA . 10060 1 172 . 1 1 20 20 THR CB C 13 69.503 0.300 . 1 . . . . 20 THR CB . 10060 1 173 . 1 1 20 20 THR CG2 C 13 22.465 0.300 . 1 . . . . 20 THR CG2 . 10060 1 174 . 1 1 20 20 THR N N 15 124.569 0.300 . 1 . . . . 20 THR N . 10060 1 175 . 1 1 21 21 LEU H H 1 8.537 0.030 . 1 . . . . 21 LEU H . 10060 1 176 . 1 1 21 21 LEU HA H 1 4.478 0.030 . 1 . . . . 21 LEU HA . 10060 1 177 . 1 1 21 21 LEU HB2 H 1 1.368 0.030 . 2 . . . . 21 LEU HB2 . 10060 1 178 . 1 1 21 21 LEU HB3 H 1 0.789 0.030 . 2 . . . . 21 LEU HB3 . 10060 1 179 . 1 1 21 21 LEU HG H 1 1.147 0.030 . 1 . . . . 21 LEU HG . 10060 1 180 . 1 1 21 21 LEU HD11 H 1 0.083 0.030 . 1 . . . . 21 LEU HD1 . 10060 1 181 . 1 1 21 21 LEU HD12 H 1 0.083 0.030 . 1 . . . . 21 LEU HD1 . 10060 1 182 . 1 1 21 21 LEU HD13 H 1 0.083 0.030 . 1 . . . . 21 LEU HD1 . 10060 1 183 . 1 1 21 21 LEU HD21 H 1 0.530 0.030 . 1 . . . . 21 LEU HD2 . 10060 1 184 . 1 1 21 21 LEU HD22 H 1 0.530 0.030 . 1 . . . . 21 LEU HD2 . 10060 1 185 . 1 1 21 21 LEU HD23 H 1 0.530 0.030 . 1 . . . . 21 LEU HD2 . 10060 1 186 . 1 1 21 21 LEU C C 13 173.510 0.300 . 1 . . . . 21 LEU C . 10060 1 187 . 1 1 21 21 LEU CA C 13 52.286 0.300 . 1 . . . . 21 LEU CA . 10060 1 188 . 1 1 21 21 LEU CB C 13 44.749 0.300 . 1 . . . . 21 LEU CB . 10060 1 189 . 1 1 21 21 LEU CG C 13 27.110 0.300 . 1 . . . . 21 LEU CG . 10060 1 190 . 1 1 21 21 LEU CD1 C 13 23.537 0.300 . 2 . . . . 21 LEU CD1 . 10060 1 191 . 1 1 21 21 LEU CD2 C 13 26.205 0.300 . 2 . . . . 21 LEU CD2 . 10060 1 192 . 1 1 21 21 LEU N N 15 129.778 0.300 . 1 . . . . 21 LEU N . 10060 1 193 . 1 1 22 22 PHE H H 1 8.896 0.030 . 1 . . . . 22 PHE H . 10060 1 194 . 1 1 22 22 PHE HA H 1 5.044 0.030 . 1 . . . . 22 PHE HA . 10060 1 195 . 1 1 22 22 PHE HB2 H 1 2.561 0.030 . 1 . . . . 22 PHE HB2 . 10060 1 196 . 1 1 22 22 PHE HB3 H 1 2.561 0.030 . 1 . . . . 22 PHE HB3 . 10060 1 197 . 1 1 22 22 PHE HD1 H 1 6.417 0.030 . 1 . . . . 22 PHE HD1 . 10060 1 198 . 1 1 22 22 PHE HD2 H 1 6.417 0.030 . 1 . . . . 22 PHE HD2 . 10060 1 199 . 1 1 22 22 PHE HE1 H 1 5.112 0.030 . 1 . . . . 22 PHE HE1 . 10060 1 200 . 1 1 22 22 PHE HE2 H 1 5.112 0.030 . 1 . . . . 22 PHE HE2 . 10060 1 201 . 1 1 22 22 PHE HZ H 1 5.518 0.030 . 1 . . . . 22 PHE HZ . 10060 1 202 . 1 1 22 22 PHE C C 13 175.332 0.300 . 1 . . . . 22 PHE C . 10060 1 203 . 1 1 22 22 PHE CA C 13 57.300 0.300 . 1 . . . . 22 PHE CA . 10060 1 204 . 1 1 22 22 PHE CB C 13 38.979 0.300 . 1 . . . . 22 PHE CB . 10060 1 205 . 1 1 22 22 PHE CD1 C 13 130.509 0.300 . 1 . . . . 22 PHE CD1 . 10060 1 206 . 1 1 22 22 PHE CD2 C 13 130.509 0.300 . 1 . . . . 22 PHE CD2 . 10060 1 207 . 1 1 22 22 PHE CE1 C 13 129.330 0.300 . 1 . . . . 22 PHE CE1 . 10060 1 208 . 1 1 22 22 PHE CE2 C 13 129.330 0.300 . 1 . . . . 22 PHE CE2 . 10060 1 209 . 1 1 22 22 PHE CZ C 13 129.330 0.300 . 1 . . . . 22 PHE CZ . 10060 1 210 . 1 1 22 22 PHE N N 15 127.014 0.300 . 1 . . . . 22 PHE N . 10060 1 211 . 1 1 23 23 THR H H 1 8.720 0.030 . 1 . . . . 23 THR H . 10060 1 212 . 1 1 23 23 THR HA H 1 4.884 0.030 . 1 . . . . 23 THR HA . 10060 1 213 . 1 1 23 23 THR HB H 1 4.008 0.030 . 1 . . . . 23 THR HB . 10060 1 214 . 1 1 23 23 THR HG21 H 1 0.902 0.030 . 1 . . . . 23 THR HG2 . 10060 1 215 . 1 1 23 23 THR HG22 H 1 0.902 0.030 . 1 . . . . 23 THR HG2 . 10060 1 216 . 1 1 23 23 THR HG23 H 1 0.902 0.030 . 1 . . . . 23 THR HG2 . 10060 1 217 . 1 1 23 23 THR C C 13 172.198 0.300 . 1 . . . . 23 THR C . 10060 1 218 . 1 1 23 23 THR CA C 13 59.223 0.300 . 1 . . . . 23 THR CA . 10060 1 219 . 1 1 23 23 THR CB C 13 72.145 0.300 . 1 . . . . 23 THR CB . 10060 1 220 . 1 1 23 23 THR CG2 C 13 20.600 0.300 . 1 . . . . 23 THR CG2 . 10060 1 221 . 1 1 23 23 THR N N 15 113.785 0.300 . 1 . . . . 23 THR N . 10060 1 222 . 1 1 24 24 LYS H H 1 7.702 0.030 . 1 . . . . 24 LYS H . 10060 1 223 . 1 1 24 24 LYS HA H 1 4.573 0.030 . 1 . . . . 24 LYS HA . 10060 1 224 . 1 1 24 24 LYS HB2 H 1 1.831 0.030 . 2 . . . . 24 LYS HB2 . 10060 1 225 . 1 1 24 24 LYS HB3 H 1 1.711 0.030 . 2 . . . . 24 LYS HB3 . 10060 1 226 . 1 1 24 24 LYS HG2 H 1 1.253 0.030 . 2 . . . . 24 LYS HG2 . 10060 1 227 . 1 1 24 24 LYS HG3 H 1 1.109 0.030 . 2 . . . . 24 LYS HG3 . 10060 1 228 . 1 1 24 24 LYS HD2 H 1 1.658 0.030 . 2 . . . . 24 LYS HD2 . 10060 1 229 . 1 1 24 24 LYS HD3 H 1 1.562 0.030 . 2 . . . . 24 LYS HD3 . 10060 1 230 . 1 1 24 24 LYS HE2 H 1 3.016 0.030 . 1 . . . . 24 LYS HE2 . 10060 1 231 . 1 1 24 24 LYS HE3 H 1 3.016 0.030 . 1 . . . . 24 LYS HE3 . 10060 1 232 . 1 1 24 24 LYS C C 13 173.187 0.300 . 1 . . . . 24 LYS C . 10060 1 233 . 1 1 24 24 LYS CA C 13 55.359 0.300 . 1 . . . . 24 LYS CA . 10060 1 234 . 1 1 24 24 LYS CB C 13 36.424 0.300 . 1 . . . . 24 LYS CB . 10060 1 235 . 1 1 24 24 LYS CG C 13 23.650 0.300 . 1 . . . . 24 LYS CG . 10060 1 236 . 1 1 24 24 LYS CD C 13 29.857 0.300 . 1 . . . . 24 LYS CD . 10060 1 237 . 1 1 24 24 LYS CE C 13 42.194 0.300 . 1 . . . . 24 LYS CE . 10060 1 238 . 1 1 24 24 LYS N N 15 116.045 0.300 . 1 . . . . 24 LYS N . 10060 1 239 . 1 1 25 25 ALA H H 1 8.318 0.030 . 1 . . . . 25 ALA H . 10060 1 240 . 1 1 25 25 ALA HA H 1 4.783 0.030 . 1 . . . . 25 ALA HA . 10060 1 241 . 1 1 25 25 ALA HB1 H 1 1.289 0.030 . 1 . . . . 25 ALA HB . 10060 1 242 . 1 1 25 25 ALA HB2 H 1 1.289 0.030 . 1 . . . . 25 ALA HB . 10060 1 243 . 1 1 25 25 ALA HB3 H 1 1.289 0.030 . 1 . . . . 25 ALA HB . 10060 1 244 . 1 1 25 25 ALA C C 13 175.316 0.300 . 1 . . . . 25 ALA C . 10060 1 245 . 1 1 25 25 ALA CA C 13 49.473 0.300 . 1 . . . . 25 ALA CA . 10060 1 246 . 1 1 25 25 ALA CB C 13 20.765 0.300 . 1 . . . . 25 ALA CB . 10060 1 247 . 1 1 25 25 ALA N N 15 121.917 0.300 . 1 . . . . 25 ALA N . 10060 1 248 . 1 1 26 26 PRO HA H 1 4.689 0.030 . 1 . . . . 26 PRO HA . 10060 1 249 . 1 1 26 26 PRO HB2 H 1 2.358 0.030 . 2 . . . . 26 PRO HB2 . 10060 1 250 . 1 1 26 26 PRO HB3 H 1 2.065 0.030 . 2 . . . . 26 PRO HB3 . 10060 1 251 . 1 1 26 26 PRO HG2 H 1 1.998 0.030 . 1 . . . . 26 PRO HG2 . 10060 1 252 . 1 1 26 26 PRO HG3 H 1 1.998 0.030 . 1 . . . . 26 PRO HG3 . 10060 1 253 . 1 1 26 26 PRO HD2 H 1 3.651 0.030 . 2 . . . . 26 PRO HD2 . 10060 1 254 . 1 1 26 26 PRO HD3 H 1 3.502 0.030 . 2 . . . . 26 PRO HD3 . 10060 1 255 . 1 1 26 26 PRO CA C 13 62.864 0.300 . 1 . . . . 26 PRO CA . 10060 1 256 . 1 1 26 26 PRO CB C 13 34.281 0.300 . 1 . . . . 26 PRO CB . 10060 1 257 . 1 1 26 26 PRO CG C 13 24.776 0.300 . 1 . . . . 26 PRO CG . 10060 1 258 . 1 1 26 26 PRO CD C 13 49.999 0.300 . 1 . . . . 26 PRO CD . 10060 1 259 . 1 1 27 27 CYS H H 1 9.082 0.030 . 1 . . . . 27 CYS H . 10060 1 260 . 1 1 27 27 CYS HA H 1 4.712 0.030 . 1 . . . . 27 CYS HA . 10060 1 261 . 1 1 27 27 CYS HB2 H 1 3.034 0.030 . 2 . . . . 27 CYS HB2 . 10060 1 262 . 1 1 27 27 CYS HB3 H 1 2.735 0.030 . 2 . . . . 27 CYS HB3 . 10060 1 263 . 1 1 27 27 CYS CA C 13 58.512 0.300 . 1 . . . . 27 CYS CA . 10060 1 264 . 1 1 27 27 CYS CB C 13 30.120 0.300 . 1 . . . . 27 CYS CB . 10060 1 265 . 1 1 27 27 CYS N N 15 123.979 0.300 . 1 . . . . 27 CYS N . 10060 1 266 . 1 1 28 28 PRO HA H 1 4.569 0.030 . 1 . . . . 28 PRO HA . 10060 1 267 . 1 1 28 28 PRO HB2 H 1 2.488 0.030 . 2 . . . . 28 PRO HB2 . 10060 1 268 . 1 1 28 28 PRO HB3 H 1 2.062 0.030 . 2 . . . . 28 PRO HB3 . 10060 1 269 . 1 1 28 28 PRO HG2 H 1 2.128 0.030 . 1 . . . . 28 PRO HG2 . 10060 1 270 . 1 1 28 28 PRO HG3 H 1 2.128 0.030 . 1 . . . . 28 PRO HG3 . 10060 1 271 . 1 1 28 28 PRO HD2 H 1 4.172 0.030 . 2 . . . . 28 PRO HD2 . 10060 1 272 . 1 1 28 28 PRO HD3 H 1 3.736 0.030 . 2 . . . . 28 PRO HD3 . 10060 1 273 . 1 1 28 28 PRO CA C 13 64.899 0.300 . 1 . . . . 28 PRO CA . 10060 1 274 . 1 1 28 28 PRO CB C 13 32.536 0.300 . 1 . . . . 28 PRO CB . 10060 1 275 . 1 1 28 28 PRO CG C 13 27.134 0.300 . 1 . . . . 28 PRO CG . 10060 1 276 . 1 1 28 28 PRO CD C 13 51.413 0.300 . 1 . . . . 28 PRO CD . 10060 1 277 . 1 1 29 29 LEU H H 1 9.057 0.030 . 1 . . . . 29 LEU H . 10060 1 278 . 1 1 29 29 LEU HA H 1 4.357 0.030 . 1 . . . . 29 LEU HA . 10060 1 279 . 1 1 29 29 LEU HB2 H 1 1.985 0.030 . 2 . . . . 29 LEU HB2 . 10060 1 280 . 1 1 29 29 LEU HB3 H 1 1.613 0.030 . 2 . . . . 29 LEU HB3 . 10060 1 281 . 1 1 29 29 LEU HG H 1 1.776 0.030 . 1 . . . . 29 LEU HG . 10060 1 282 . 1 1 29 29 LEU HD11 H 1 1.027 0.030 . 1 . . . . 29 LEU HD1 . 10060 1 283 . 1 1 29 29 LEU HD12 H 1 1.027 0.030 . 1 . . . . 29 LEU HD1 . 10060 1 284 . 1 1 29 29 LEU HD13 H 1 1.027 0.030 . 1 . . . . 29 LEU HD1 . 10060 1 285 . 1 1 29 29 LEU HD21 H 1 0.965 0.030 . 1 . . . . 29 LEU HD2 . 10060 1 286 . 1 1 29 29 LEU HD22 H 1 0.965 0.030 . 1 . . . . 29 LEU HD2 . 10060 1 287 . 1 1 29 29 LEU HD23 H 1 0.965 0.030 . 1 . . . . 29 LEU HD2 . 10060 1 288 . 1 1 29 29 LEU CA C 13 58.079 0.300 . 1 . . . . 29 LEU CA . 10060 1 289 . 1 1 29 29 LEU CB C 13 42.334 0.300 . 1 . . . . 29 LEU CB . 10060 1 290 . 1 1 29 29 LEU CG C 13 27.644 0.300 . 1 . . . . 29 LEU CG . 10060 1 291 . 1 1 29 29 LEU CD1 C 13 25.065 0.300 . 2 . . . . 29 LEU CD1 . 10060 1 292 . 1 1 29 29 LEU CD2 C 13 23.355 0.300 . 2 . . . . 29 LEU CD2 . 10060 1 293 . 1 1 30 30 CYS H H 1 9.357 0.030 . 1 . . . . 30 CYS H . 10060 1 294 . 1 1 30 30 CYS HA H 1 3.984 0.030 . 1 . . . . 30 CYS HA . 10060 1 295 . 1 1 30 30 CYS HB2 H 1 3.346 0.030 . 2 . . . . 30 CYS HB2 . 10060 1 296 . 1 1 30 30 CYS HB3 H 1 2.839 0.030 . 2 . . . . 30 CYS HB3 . 10060 1 297 . 1 1 30 30 CYS CA C 13 64.212 0.300 . 1 . . . . 30 CYS CA . 10060 1 298 . 1 1 30 30 CYS CB C 13 28.301 0.300 . 1 . . . . 30 CYS CB . 10060 1 299 . 1 1 31 31 ASP H H 1 8.070 0.030 . 1 . . . . 31 ASP H . 10060 1 300 . 1 1 31 31 ASP HA H 1 4.315 0.030 . 1 . . . . 31 ASP HA . 10060 1 301 . 1 1 31 31 ASP HB2 H 1 2.783 0.030 . 1 . . . . 31 ASP HB2 . 10060 1 302 . 1 1 31 31 ASP HB3 H 1 2.783 0.030 . 1 . . . . 31 ASP HB3 . 10060 1 303 . 1 1 31 31 ASP C C 13 179.258 0.300 . 1 . . . . 31 ASP C . 10060 1 304 . 1 1 31 31 ASP CA C 13 57.972 0.300 . 1 . . . . 31 ASP CA . 10060 1 305 . 1 1 31 31 ASP CB C 13 39.886 0.300 . 1 . . . . 31 ASP CB . 10060 1 306 . 1 1 31 31 ASP N N 15 120.355 0.300 . 1 . . . . 31 ASP N . 10060 1 307 . 1 1 32 32 GLU H H 1 8.077 0.030 . 1 . . . . 32 GLU H . 10060 1 308 . 1 1 32 32 GLU HA H 1 4.137 0.030 . 1 . . . . 32 GLU HA . 10060 1 309 . 1 1 32 32 GLU HB2 H 1 2.228 0.030 . 2 . . . . 32 GLU HB2 . 10060 1 310 . 1 1 32 32 GLU HB3 H 1 2.137 0.030 . 2 . . . . 32 GLU HB3 . 10060 1 311 . 1 1 32 32 GLU HG2 H 1 2.443 0.030 . 2 . . . . 32 GLU HG2 . 10060 1 312 . 1 1 32 32 GLU HG3 H 1 2.275 0.030 . 2 . . . . 32 GLU HG3 . 10060 1 313 . 1 1 32 32 GLU C C 13 178.130 0.300 . 1 . . . . 32 GLU C . 10060 1 314 . 1 1 32 32 GLU CA C 13 59.384 0.300 . 1 . . . . 32 GLU CA . 10060 1 315 . 1 1 32 32 GLU CB C 13 29.782 0.300 . 1 . . . . 32 GLU CB . 10060 1 316 . 1 1 32 32 GLU CG C 13 36.184 0.300 . 1 . . . . 32 GLU CG . 10060 1 317 . 1 1 32 32 GLU N N 15 120.939 0.300 . 1 . . . . 32 GLU N . 10060 1 318 . 1 1 33 33 ALA H H 1 7.717 0.030 . 1 . . . . 33 ALA H . 10060 1 319 . 1 1 33 33 ALA HA H 1 4.326 0.030 . 1 . . . . 33 ALA HA . 10060 1 320 . 1 1 33 33 ALA HB1 H 1 1.632 0.030 . 1 . . . . 33 ALA HB . 10060 1 321 . 1 1 33 33 ALA HB2 H 1 1.632 0.030 . 1 . . . . 33 ALA HB . 10060 1 322 . 1 1 33 33 ALA HB3 H 1 1.632 0.030 . 1 . . . . 33 ALA HB . 10060 1 323 . 1 1 33 33 ALA C C 13 179.079 0.300 . 1 . . . . 33 ALA C . 10060 1 324 . 1 1 33 33 ALA CA C 13 54.820 0.300 . 1 . . . . 33 ALA CA . 10060 1 325 . 1 1 33 33 ALA CB C 13 18.468 0.300 . 1 . . . . 33 ALA CB . 10060 1 326 . 1 1 33 33 ALA N N 15 120.253 0.300 . 1 . . . . 33 ALA N . 10060 1 327 . 1 1 34 34 LYS H H 1 7.811 0.030 . 1 . . . . 34 LYS H . 10060 1 328 . 1 1 34 34 LYS HA H 1 3.772 0.030 . 1 . . . . 34 LYS HA . 10060 1 329 . 1 1 34 34 LYS HB2 H 1 1.897 0.030 . 1 . . . . 34 LYS HB2 . 10060 1 330 . 1 1 34 34 LYS HB3 H 1 1.897 0.030 . 1 . . . . 34 LYS HB3 . 10060 1 331 . 1 1 34 34 LYS HG2 H 1 1.590 0.030 . 2 . . . . 34 LYS HG2 . 10060 1 332 . 1 1 34 34 LYS HG3 H 1 1.196 0.030 . 2 . . . . 34 LYS HG3 . 10060 1 333 . 1 1 34 34 LYS HD2 H 1 1.687 0.030 . 2 . . . . 34 LYS HD2 . 10060 1 334 . 1 1 34 34 LYS HD3 H 1 1.622 0.030 . 2 . . . . 34 LYS HD3 . 10060 1 335 . 1 1 34 34 LYS HE2 H 1 2.698 0.030 . 1 . . . . 34 LYS HE2 . 10060 1 336 . 1 1 34 34 LYS HE3 H 1 2.698 0.030 . 1 . . . . 34 LYS HE3 . 10060 1 337 . 1 1 34 34 LYS C C 13 179.219 0.300 . 1 . . . . 34 LYS C . 10060 1 338 . 1 1 34 34 LYS CA C 13 60.607 0.300 . 1 . . . . 34 LYS CA . 10060 1 339 . 1 1 34 34 LYS CB C 13 32.245 0.300 . 1 . . . . 34 LYS CB . 10060 1 340 . 1 1 34 34 LYS CG C 13 27.111 0.300 . 1 . . . . 34 LYS CG . 10060 1 341 . 1 1 34 34 LYS CD C 13 29.666 0.300 . 1 . . . . 34 LYS CD . 10060 1 342 . 1 1 34 34 LYS CE C 13 42.029 0.300 . 1 . . . . 34 LYS CE . 10060 1 343 . 1 1 34 34 LYS N N 15 114.707 0.300 . 1 . . . . 34 LYS N . 10060 1 344 . 1 1 35 35 GLU H H 1 7.635 0.030 . 1 . . . . 35 GLU H . 10060 1 345 . 1 1 35 35 GLU HA H 1 4.183 0.030 . 1 . . . . 35 GLU HA . 10060 1 346 . 1 1 35 35 GLU HB2 H 1 2.237 0.030 . 1 . . . . 35 GLU HB2 . 10060 1 347 . 1 1 35 35 GLU HB3 H 1 2.237 0.030 . 1 . . . . 35 GLU HB3 . 10060 1 348 . 1 1 35 35 GLU HG2 H 1 2.385 0.030 . 2 . . . . 35 GLU HG2 . 10060 1 349 . 1 1 35 35 GLU HG3 H 1 2.274 0.030 . 2 . . . . 35 GLU HG3 . 10060 1 350 . 1 1 35 35 GLU C C 13 180.259 0.300 . 1 . . . . 35 GLU C . 10060 1 351 . 1 1 35 35 GLU CA C 13 59.456 0.300 . 1 . . . . 35 GLU CA . 10060 1 352 . 1 1 35 35 GLU CB C 13 29.550 0.300 . 1 . . . . 35 GLU CB . 10060 1 353 . 1 1 35 35 GLU CG C 13 36.095 0.300 . 1 . . . . 35 GLU CG . 10060 1 354 . 1 1 35 35 GLU N N 15 119.427 0.300 . 1 . . . . 35 GLU N . 10060 1 355 . 1 1 36 36 VAL H H 1 8.292 0.030 . 1 . . . . 36 VAL H . 10060 1 356 . 1 1 36 36 VAL HA H 1 3.782 0.030 . 1 . . . . 36 VAL HA . 10060 1 357 . 1 1 36 36 VAL HB H 1 2.204 0.030 . 1 . . . . 36 VAL HB . 10060 1 358 . 1 1 36 36 VAL HG11 H 1 0.986 0.030 . 1 . . . . 36 VAL HG1 . 10060 1 359 . 1 1 36 36 VAL HG12 H 1 0.986 0.030 . 1 . . . . 36 VAL HG1 . 10060 1 360 . 1 1 36 36 VAL HG13 H 1 0.986 0.030 . 1 . . . . 36 VAL HG1 . 10060 1 361 . 1 1 36 36 VAL HG21 H 1 1.192 0.030 . 1 . . . . 36 VAL HG2 . 10060 1 362 . 1 1 36 36 VAL HG22 H 1 1.192 0.030 . 1 . . . . 36 VAL HG2 . 10060 1 363 . 1 1 36 36 VAL HG23 H 1 1.192 0.030 . 1 . . . . 36 VAL HG2 . 10060 1 364 . 1 1 36 36 VAL C C 13 177.501 0.300 . 1 . . . . 36 VAL C . 10060 1 365 . 1 1 36 36 VAL CA C 13 65.484 0.300 . 1 . . . . 36 VAL CA . 10060 1 366 . 1 1 36 36 VAL CB C 13 31.732 0.300 . 1 . . . . 36 VAL CB . 10060 1 367 . 1 1 36 36 VAL CG1 C 13 21.890 0.300 . 2 . . . . 36 VAL CG1 . 10060 1 368 . 1 1 36 36 VAL CG2 C 13 22.947 0.300 . 2 . . . . 36 VAL CG2 . 10060 1 369 . 1 1 36 36 VAL N N 15 120.811 0.300 . 1 . . . . 36 VAL N . 10060 1 370 . 1 1 37 37 LEU H H 1 7.768 0.030 . 1 . . . . 37 LEU H . 10060 1 371 . 1 1 37 37 LEU HA H 1 4.382 0.030 . 1 . . . . 37 LEU HA . 10060 1 372 . 1 1 37 37 LEU HB2 H 1 2.017 0.030 . 2 . . . . 37 LEU HB2 . 10060 1 373 . 1 1 37 37 LEU HB3 H 1 1.731 0.030 . 2 . . . . 37 LEU HB3 . 10060 1 374 . 1 1 37 37 LEU HG H 1 2.079 0.030 . 1 . . . . 37 LEU HG . 10060 1 375 . 1 1 37 37 LEU HD11 H 1 0.771 0.030 . 1 . . . . 37 LEU HD1 . 10060 1 376 . 1 1 37 37 LEU HD12 H 1 0.771 0.030 . 1 . . . . 37 LEU HD1 . 10060 1 377 . 1 1 37 37 LEU HD13 H 1 0.771 0.030 . 1 . . . . 37 LEU HD1 . 10060 1 378 . 1 1 37 37 LEU HD21 H 1 0.563 0.030 . 1 . . . . 37 LEU HD2 . 10060 1 379 . 1 1 37 37 LEU HD22 H 1 0.563 0.030 . 1 . . . . 37 LEU HD2 . 10060 1 380 . 1 1 37 37 LEU HD23 H 1 0.563 0.030 . 1 . . . . 37 LEU HD2 . 10060 1 381 . 1 1 37 37 LEU CA C 13 55.793 0.300 . 1 . . . . 37 LEU CA . 10060 1 382 . 1 1 37 37 LEU CB C 13 42.935 0.300 . 1 . . . . 37 LEU CB . 10060 1 383 . 1 1 37 37 LEU CG C 13 26.136 0.300 . 1 . . . . 37 LEU CG . 10060 1 384 . 1 1 37 37 LEU CD1 C 13 26.045 0.300 . 2 . . . . 37 LEU CD1 . 10060 1 385 . 1 1 37 37 LEU CD2 C 13 22.962 0.300 . 2 . . . . 37 LEU CD2 . 10060 1 386 . 1 1 37 37 LEU N N 15 114.457 0.300 . 1 . . . . 37 LEU N . 10060 1 387 . 1 1 38 38 GLN H H 1 7.529 0.030 . 1 . . . . 38 GLN H . 10060 1 388 . 1 1 38 38 GLN HA H 1 4.145 0.030 . 1 . . . . 38 GLN HA . 10060 1 389 . 1 1 38 38 GLN HB2 H 1 2.326 0.030 . 2 . . . . 38 GLN HB2 . 10060 1 390 . 1 1 38 38 GLN HB3 H 1 2.234 0.030 . 2 . . . . 38 GLN HB3 . 10060 1 391 . 1 1 38 38 GLN HG2 H 1 2.727 0.030 . 2 . . . . 38 GLN HG2 . 10060 1 392 . 1 1 38 38 GLN HG3 H 1 2.640 0.030 . 2 . . . . 38 GLN HG3 . 10060 1 393 . 1 1 38 38 GLN HE21 H 1 7.516 0.030 . 2 . . . . 38 GLN HE21 . 10060 1 394 . 1 1 38 38 GLN HE22 H 1 6.931 0.030 . 2 . . . . 38 GLN HE22 . 10060 1 395 . 1 1 38 38 GLN CA C 13 61.319 0.300 . 1 . . . . 38 GLN CA . 10060 1 396 . 1 1 38 38 GLN CB C 13 26.332 0.300 . 1 . . . . 38 GLN CB . 10060 1 397 . 1 1 38 38 GLN CG C 13 33.787 0.300 . 1 . . . . 38 GLN CG . 10060 1 398 . 1 1 38 38 GLN N N 15 120.034 0.300 . 1 . . . . 38 GLN N . 10060 1 399 . 1 1 38 38 GLN NE2 N 15 112.412 0.300 . 1 . . . . 38 GLN NE2 . 10060 1 400 . 1 1 39 39 PRO HA H 1 4.365 0.030 . 1 . . . . 39 PRO HA . 10060 1 401 . 1 1 39 39 PRO HB2 H 1 2.152 0.030 . 2 . . . . 39 PRO HB2 . 10060 1 402 . 1 1 39 39 PRO HB3 H 1 1.185 0.030 . 2 . . . . 39 PRO HB3 . 10060 1 403 . 1 1 39 39 PRO HG2 H 1 1.886 0.030 . 1 . . . . 39 PRO HG2 . 10060 1 404 . 1 1 39 39 PRO HG3 H 1 1.886 0.030 . 1 . . . . 39 PRO HG3 . 10060 1 405 . 1 1 39 39 PRO HD2 H 1 3.869 0.030 . 2 . . . . 39 PRO HD2 . 10060 1 406 . 1 1 39 39 PRO HD3 H 1 3.638 0.030 . 2 . . . . 39 PRO HD3 . 10060 1 407 . 1 1 39 39 PRO C C 13 176.859 0.300 . 1 . . . . 39 PRO C . 10060 1 408 . 1 1 39 39 PRO CA C 13 65.011 0.300 . 1 . . . . 39 PRO CA . 10060 1 409 . 1 1 39 39 PRO CB C 13 31.078 0.300 . 1 . . . . 39 PRO CB . 10060 1 410 . 1 1 39 39 PRO CG C 13 27.853 0.300 . 1 . . . . 39 PRO CG . 10060 1 411 . 1 1 39 39 PRO CD C 13 50.600 0.300 . 1 . . . . 39 PRO CD . 10060 1 412 . 1 1 40 40 TYR H H 1 7.872 0.030 . 1 . . . . 40 TYR H . 10060 1 413 . 1 1 40 40 TYR HA H 1 4.267 0.030 . 1 . . . . 40 TYR HA . 10060 1 414 . 1 1 40 40 TYR HB2 H 1 3.154 0.030 . 2 . . . . 40 TYR HB2 . 10060 1 415 . 1 1 40 40 TYR HB3 H 1 2.925 0.030 . 2 . . . . 40 TYR HB3 . 10060 1 416 . 1 1 40 40 TYR HD1 H 1 7.007 0.030 . 1 . . . . 40 TYR HD1 . 10060 1 417 . 1 1 40 40 TYR HD2 H 1 7.007 0.030 . 1 . . . . 40 TYR HD2 . 10060 1 418 . 1 1 40 40 TYR HE1 H 1 6.797 0.030 . 1 . . . . 40 TYR HE1 . 10060 1 419 . 1 1 40 40 TYR HE2 H 1 6.797 0.030 . 1 . . . . 40 TYR HE2 . 10060 1 420 . 1 1 40 40 TYR C C 13 175.346 0.300 . 1 . . . . 40 TYR C . 10060 1 421 . 1 1 40 40 TYR CA C 13 57.964 0.300 . 1 . . . . 40 TYR CA . 10060 1 422 . 1 1 40 40 TYR CB C 13 39.811 0.300 . 1 . . . . 40 TYR CB . 10060 1 423 . 1 1 40 40 TYR CD1 C 13 132.737 0.300 . 1 . . . . 40 TYR CD1 . 10060 1 424 . 1 1 40 40 TYR CD2 C 13 132.737 0.300 . 1 . . . . 40 TYR CD2 . 10060 1 425 . 1 1 40 40 TYR CE1 C 13 117.897 0.300 . 1 . . . . 40 TYR CE1 . 10060 1 426 . 1 1 40 40 TYR CE2 C 13 117.897 0.300 . 1 . . . . 40 TYR CE2 . 10060 1 427 . 1 1 40 40 TYR N N 15 115.235 0.300 . 1 . . . . 40 TYR N . 10060 1 428 . 1 1 41 41 LYS H H 1 7.263 0.030 . 1 . . . . 41 LYS H . 10060 1 429 . 1 1 41 41 LYS HA H 1 3.568 0.030 . 1 . . . . 41 LYS HA . 10060 1 430 . 1 1 41 41 LYS HB2 H 1 1.897 0.030 . 2 . . . . 41 LYS HB2 . 10060 1 431 . 1 1 41 41 LYS HB3 H 1 1.836 0.030 . 2 . . . . 41 LYS HB3 . 10060 1 432 . 1 1 41 41 LYS HG2 H 1 1.472 0.030 . 2 . . . . 41 LYS HG2 . 10060 1 433 . 1 1 41 41 LYS HG3 H 1 1.430 0.030 . 2 . . . . 41 LYS HG3 . 10060 1 434 . 1 1 41 41 LYS HE2 H 1 3.003 0.030 . 1 . . . . 41 LYS HE2 . 10060 1 435 . 1 1 41 41 LYS HE3 H 1 3.003 0.030 . 1 . . . . 41 LYS HE3 . 10060 1 436 . 1 1 41 41 LYS C C 13 175.161 0.300 . 1 . . . . 41 LYS C . 10060 1 437 . 1 1 41 41 LYS CA C 13 58.720 0.300 . 1 . . . . 41 LYS CA . 10060 1 438 . 1 1 41 41 LYS CB C 13 32.290 0.300 . 1 . . . . 41 LYS CB . 10060 1 439 . 1 1 41 41 LYS CG C 13 24.004 0.300 . 1 . . . . 41 LYS CG . 10060 1 440 . 1 1 41 41 LYS CE C 13 42.029 0.300 . 1 . . . . 41 LYS CE . 10060 1 441 . 1 1 41 41 LYS N N 15 117.392 0.300 . 1 . . . . 41 LYS N . 10060 1 442 . 1 1 42 42 ASP H H 1 8.290 0.030 . 1 . . . . 42 ASP H . 10060 1 443 . 1 1 42 42 ASP HA H 1 4.562 0.030 . 1 . . . . 42 ASP HA . 10060 1 444 . 1 1 42 42 ASP HB2 H 1 2.693 0.030 . 2 . . . . 42 ASP HB2 . 10060 1 445 . 1 1 42 42 ASP HB3 H 1 2.575 0.030 . 2 . . . . 42 ASP HB3 . 10060 1 446 . 1 1 42 42 ASP C C 13 176.703 0.300 . 1 . . . . 42 ASP C . 10060 1 447 . 1 1 42 42 ASP CA C 13 54.622 0.300 . 1 . . . . 42 ASP CA . 10060 1 448 . 1 1 42 42 ASP CB C 13 40.026 0.300 . 1 . . . . 42 ASP CB . 10060 1 449 . 1 1 42 42 ASP N N 15 115.989 0.300 . 1 . . . . 42 ASP N . 10060 1 450 . 1 1 43 43 ARG H H 1 8.091 0.030 . 1 . . . . 43 ARG H . 10060 1 451 . 1 1 43 43 ARG HA H 1 4.248 0.030 . 1 . . . . 43 ARG HA . 10060 1 452 . 1 1 43 43 ARG HB2 H 1 2.198 0.030 . 2 . . . . 43 ARG HB2 . 10060 1 453 . 1 1 43 43 ARG HB3 H 1 1.757 0.030 . 2 . . . . 43 ARG HB3 . 10060 1 454 . 1 1 43 43 ARG HG2 H 1 1.666 0.030 . 2 . . . . 43 ARG HG2 . 10060 1 455 . 1 1 43 43 ARG HG3 H 1 1.616 0.030 . 2 . . . . 43 ARG HG3 . 10060 1 456 . 1 1 43 43 ARG HD2 H 1 3.222 0.030 . 2 . . . . 43 ARG HD2 . 10060 1 457 . 1 1 43 43 ARG HD3 H 1 3.146 0.030 . 2 . . . . 43 ARG HD3 . 10060 1 458 . 1 1 43 43 ARG C C 13 174.596 0.300 . 1 . . . . 43 ARG C . 10060 1 459 . 1 1 43 43 ARG CA C 13 55.719 0.300 . 1 . . . . 43 ARG CA . 10060 1 460 . 1 1 43 43 ARG CB C 13 31.910 0.300 . 1 . . . . 43 ARG CB . 10060 1 461 . 1 1 43 43 ARG CG C 13 26.617 0.300 . 1 . . . . 43 ARG CG . 10060 1 462 . 1 1 43 43 ARG CD C 13 43.691 0.300 . 1 . . . . 43 ARG CD . 10060 1 463 . 1 1 43 43 ARG N N 15 116.640 0.300 . 1 . . . . 43 ARG N . 10060 1 464 . 1 1 44 44 PHE H H 1 7.065 0.030 . 1 . . . . 44 PHE H . 10060 1 465 . 1 1 44 44 PHE HA H 1 4.960 0.030 . 1 . . . . 44 PHE HA . 10060 1 466 . 1 1 44 44 PHE HB2 H 1 2.982 0.030 . 1 . . . . 44 PHE HB2 . 10060 1 467 . 1 1 44 44 PHE HB3 H 1 2.982 0.030 . 1 . . . . 44 PHE HB3 . 10060 1 468 . 1 1 44 44 PHE HD1 H 1 6.800 0.030 . 1 . . . . 44 PHE HD1 . 10060 1 469 . 1 1 44 44 PHE HD2 H 1 6.800 0.030 . 1 . . . . 44 PHE HD2 . 10060 1 470 . 1 1 44 44 PHE HE1 H 1 7.085 0.030 . 1 . . . . 44 PHE HE1 . 10060 1 471 . 1 1 44 44 PHE HE2 H 1 7.085 0.030 . 1 . . . . 44 PHE HE2 . 10060 1 472 . 1 1 44 44 PHE HZ H 1 7.100 0.030 . 1 . . . . 44 PHE HZ . 10060 1 473 . 1 1 44 44 PHE C C 13 173.972 0.300 . 1 . . . . 44 PHE C . 10060 1 474 . 1 1 44 44 PHE CA C 13 55.088 0.300 . 1 . . . . 44 PHE CA . 10060 1 475 . 1 1 44 44 PHE CB C 13 40.445 0.300 . 1 . . . . 44 PHE CB . 10060 1 476 . 1 1 44 44 PHE CD1 C 13 132.132 0.300 . 1 . . . . 44 PHE CD1 . 10060 1 477 . 1 1 44 44 PHE CD2 C 13 132.132 0.300 . 1 . . . . 44 PHE CD2 . 10060 1 478 . 1 1 44 44 PHE CE1 C 13 130.828 0.300 . 1 . . . . 44 PHE CE1 . 10060 1 479 . 1 1 44 44 PHE CE2 C 13 130.828 0.300 . 1 . . . . 44 PHE CE2 . 10060 1 480 . 1 1 44 44 PHE CZ C 13 129.194 0.300 . 1 . . . . 44 PHE CZ . 10060 1 481 . 1 1 44 44 PHE N N 15 110.858 0.300 . 1 . . . . 44 PHE N . 10060 1 482 . 1 1 45 45 ILE H H 1 9.029 0.030 . 1 . . . . 45 ILE H . 10060 1 483 . 1 1 45 45 ILE HA H 1 4.311 0.030 . 1 . . . . 45 ILE HA . 10060 1 484 . 1 1 45 45 ILE HB H 1 1.761 0.030 . 1 . . . . 45 ILE HB . 10060 1 485 . 1 1 45 45 ILE HG12 H 1 1.512 0.030 . 2 . . . . 45 ILE HG12 . 10060 1 486 . 1 1 45 45 ILE HG13 H 1 1.163 0.030 . 2 . . . . 45 ILE HG13 . 10060 1 487 . 1 1 45 45 ILE HG21 H 1 0.883 0.030 . 1 . . . . 45 ILE HG2 . 10060 1 488 . 1 1 45 45 ILE HG22 H 1 0.883 0.030 . 1 . . . . 45 ILE HG2 . 10060 1 489 . 1 1 45 45 ILE HG23 H 1 0.883 0.030 . 1 . . . . 45 ILE HG2 . 10060 1 490 . 1 1 45 45 ILE HD11 H 1 0.850 0.030 . 1 . . . . 45 ILE HD1 . 10060 1 491 . 1 1 45 45 ILE HD12 H 1 0.850 0.030 . 1 . . . . 45 ILE HD1 . 10060 1 492 . 1 1 45 45 ILE HD13 H 1 0.850 0.030 . 1 . . . . 45 ILE HD1 . 10060 1 493 . 1 1 45 45 ILE C C 13 174.717 0.300 . 1 . . . . 45 ILE C . 10060 1 494 . 1 1 45 45 ILE CA C 13 60.158 0.300 . 1 . . . . 45 ILE CA . 10060 1 495 . 1 1 45 45 ILE CB C 13 39.442 0.300 . 1 . . . . 45 ILE CB . 10060 1 496 . 1 1 45 45 ILE CG1 C 13 27.597 0.300 . 1 . . . . 45 ILE CG1 . 10060 1 497 . 1 1 45 45 ILE CG2 C 13 17.087 0.300 . 1 . . . . 45 ILE CG2 . 10060 1 498 . 1 1 45 45 ILE CD1 C 13 12.695 0.300 . 1 . . . . 45 ILE CD1 . 10060 1 499 . 1 1 45 45 ILE N N 15 120.761 0.300 . 1 . . . . 45 ILE N . 10060 1 500 . 1 1 46 46 LEU H H 1 8.968 0.030 . 1 . . . . 46 LEU H . 10060 1 501 . 1 1 46 46 LEU HA H 1 5.119 0.030 . 1 . . . . 46 LEU HA . 10060 1 502 . 1 1 46 46 LEU HB2 H 1 2.026 0.030 . 2 . . . . 46 LEU HB2 . 10060 1 503 . 1 1 46 46 LEU HB3 H 1 1.569 0.030 . 2 . . . . 46 LEU HB3 . 10060 1 504 . 1 1 46 46 LEU HG H 1 1.422 0.030 . 1 . . . . 46 LEU HG . 10060 1 505 . 1 1 46 46 LEU HD11 H 1 0.852 0.030 . 1 . . . . 46 LEU HD1 . 10060 1 506 . 1 1 46 46 LEU HD12 H 1 0.852 0.030 . 1 . . . . 46 LEU HD1 . 10060 1 507 . 1 1 46 46 LEU HD13 H 1 0.852 0.030 . 1 . . . . 46 LEU HD1 . 10060 1 508 . 1 1 46 46 LEU HD21 H 1 0.908 0.030 . 1 . . . . 46 LEU HD2 . 10060 1 509 . 1 1 46 46 LEU HD22 H 1 0.908 0.030 . 1 . . . . 46 LEU HD2 . 10060 1 510 . 1 1 46 46 LEU HD23 H 1 0.908 0.030 . 1 . . . . 46 LEU HD2 . 10060 1 511 . 1 1 46 46 LEU C C 13 176.003 0.300 . 1 . . . . 46 LEU C . 10060 1 512 . 1 1 46 46 LEU CA C 13 54.407 0.300 . 1 . . . . 46 LEU CA . 10060 1 513 . 1 1 46 46 LEU CB C 13 43.628 0.300 . 1 . . . . 46 LEU CB . 10060 1 514 . 1 1 46 46 LEU CG C 13 27.826 0.300 . 1 . . . . 46 LEU CG . 10060 1 515 . 1 1 46 46 LEU CD1 C 13 24.474 0.300 . 2 . . . . 46 LEU CD1 . 10060 1 516 . 1 1 46 46 LEU CD2 C 13 25.877 0.300 . 2 . . . . 46 LEU CD2 . 10060 1 517 . 1 1 46 46 LEU N N 15 131.002 0.300 . 1 . . . . 46 LEU N . 10060 1 518 . 1 1 47 47 GLN H H 1 9.094 0.030 . 1 . . . . 47 GLN H . 10060 1 519 . 1 1 47 47 GLN HA H 1 4.560 0.030 . 1 . . . . 47 GLN HA . 10060 1 520 . 1 1 47 47 GLN HB2 H 1 1.796 0.030 . 2 . . . . 47 GLN HB2 . 10060 1 521 . 1 1 47 47 GLN HB3 H 1 1.598 0.030 . 2 . . . . 47 GLN HB3 . 10060 1 522 . 1 1 47 47 GLN HG2 H 1 2.114 0.030 . 2 . . . . 47 GLN HG2 . 10060 1 523 . 1 1 47 47 GLN HG3 H 1 1.920 0.030 . 2 . . . . 47 GLN HG3 . 10060 1 524 . 1 1 47 47 GLN HE21 H 1 7.270 0.030 . 2 . . . . 47 GLN HE21 . 10060 1 525 . 1 1 47 47 GLN HE22 H 1 6.750 0.030 . 2 . . . . 47 GLN HE22 . 10060 1 526 . 1 1 47 47 GLN C C 13 173.340 0.300 . 1 . . . . 47 GLN C . 10060 1 527 . 1 1 47 47 GLN CA C 13 54.137 0.300 . 1 . . . . 47 GLN CA . 10060 1 528 . 1 1 47 47 GLN CB C 13 30.614 0.300 . 1 . . . . 47 GLN CB . 10060 1 529 . 1 1 47 47 GLN CG C 13 33.457 0.300 . 1 . . . . 47 GLN CG . 10060 1 530 . 1 1 47 47 GLN N N 15 129.300 0.300 . 1 . . . . 47 GLN N . 10060 1 531 . 1 1 47 47 GLN NE2 N 15 111.130 0.300 . 1 . . . . 47 GLN NE2 . 10060 1 532 . 1 1 48 48 GLU H H 1 8.796 0.030 . 1 . . . . 48 GLU H . 10060 1 533 . 1 1 48 48 GLU HA H 1 4.806 0.030 . 1 . . . . 48 GLU HA . 10060 1 534 . 1 1 48 48 GLU HB2 H 1 1.831 0.030 . 2 . . . . 48 GLU HB2 . 10060 1 535 . 1 1 48 48 GLU HB3 H 1 1.673 0.030 . 2 . . . . 48 GLU HB3 . 10060 1 536 . 1 1 48 48 GLU HG2 H 1 1.991 0.030 . 2 . . . . 48 GLU HG2 . 10060 1 537 . 1 1 48 48 GLU HG3 H 1 1.848 0.030 . 2 . . . . 48 GLU HG3 . 10060 1 538 . 1 1 48 48 GLU C C 13 175.863 0.300 . 1 . . . . 48 GLU C . 10060 1 539 . 1 1 48 48 GLU CA C 13 55.359 0.300 . 1 . . . . 48 GLU CA . 10060 1 540 . 1 1 48 48 GLU CB C 13 31.191 0.300 . 1 . . . . 48 GLU CB . 10060 1 541 . 1 1 48 48 GLU CG C 13 36.967 0.300 . 1 . . . . 48 GLU CG . 10060 1 542 . 1 1 48 48 GLU N N 15 126.489 0.300 . 1 . . . . 48 GLU N . 10060 1 543 . 1 1 49 49 VAL H H 1 8.913 0.030 . 1 . . . . 49 VAL H . 10060 1 544 . 1 1 49 49 VAL HA H 1 3.846 0.030 . 1 . . . . 49 VAL HA . 10060 1 545 . 1 1 49 49 VAL HB H 1 1.146 0.030 . 1 . . . . 49 VAL HB . 10060 1 546 . 1 1 49 49 VAL HG11 H 1 0.632 0.030 . 1 . . . . 49 VAL HG1 . 10060 1 547 . 1 1 49 49 VAL HG12 H 1 0.632 0.030 . 1 . . . . 49 VAL HG1 . 10060 1 548 . 1 1 49 49 VAL HG13 H 1 0.632 0.030 . 1 . . . . 49 VAL HG1 . 10060 1 549 . 1 1 49 49 VAL HG21 H 1 0.152 0.030 . 1 . . . . 49 VAL HG2 . 10060 1 550 . 1 1 49 49 VAL HG22 H 1 0.152 0.030 . 1 . . . . 49 VAL HG2 . 10060 1 551 . 1 1 49 49 VAL HG23 H 1 0.152 0.030 . 1 . . . . 49 VAL HG2 . 10060 1 552 . 1 1 49 49 VAL C C 13 173.520 0.300 . 1 . . . . 49 VAL C . 10060 1 553 . 1 1 49 49 VAL CA C 13 61.397 0.300 . 1 . . . . 49 VAL CA . 10060 1 554 . 1 1 49 49 VAL CB C 13 33.457 0.300 . 1 . . . . 49 VAL CB . 10060 1 555 . 1 1 49 49 VAL CG1 C 13 20.532 0.300 . 2 . . . . 49 VAL CG1 . 10060 1 556 . 1 1 49 49 VAL CG2 C 13 20.097 0.300 . 2 . . . . 49 VAL CG2 . 10060 1 557 . 1 1 49 49 VAL N N 15 129.102 0.300 . 1 . . . . 49 VAL N . 10060 1 558 . 1 1 50 50 ASP H H 1 8.442 0.030 . 1 . . . . 50 ASP H . 10060 1 559 . 1 1 50 50 ASP HA H 1 4.910 0.030 . 1 . . . . 50 ASP HA . 10060 1 560 . 1 1 50 50 ASP HB2 H 1 2.868 0.030 . 2 . . . . 50 ASP HB2 . 10060 1 561 . 1 1 50 50 ASP HB3 H 1 2.407 0.030 . 2 . . . . 50 ASP HB3 . 10060 1 562 . 1 1 50 50 ASP C C 13 179.192 0.300 . 1 . . . . 50 ASP C . 10060 1 563 . 1 1 50 50 ASP CA C 13 52.484 0.300 . 1 . . . . 50 ASP CA . 10060 1 564 . 1 1 50 50 ASP CB C 13 39.886 0.300 . 1 . . . . 50 ASP CB . 10060 1 565 . 1 1 50 50 ASP N N 15 126.155 0.300 . 1 . . . . 50 ASP N . 10060 1 566 . 1 1 51 51 ILE H H 1 9.142 0.030 . 1 . . . . 51 ILE H . 10060 1 567 . 1 1 51 51 ILE HA H 1 4.228 0.030 . 1 . . . . 51 ILE HA . 10060 1 568 . 1 1 51 51 ILE HB H 1 2.284 0.030 . 1 . . . . 51 ILE HB . 10060 1 569 . 1 1 51 51 ILE HG12 H 1 1.666 0.030 . 2 . . . . 51 ILE HG12 . 10060 1 570 . 1 1 51 51 ILE HG13 H 1 1.493 0.030 . 2 . . . . 51 ILE HG13 . 10060 1 571 . 1 1 51 51 ILE HG21 H 1 1.293 0.030 . 1 . . . . 51 ILE HG2 . 10060 1 572 . 1 1 51 51 ILE HG22 H 1 1.293 0.030 . 1 . . . . 51 ILE HG2 . 10060 1 573 . 1 1 51 51 ILE HG23 H 1 1.293 0.030 . 1 . . . . 51 ILE HG2 . 10060 1 574 . 1 1 51 51 ILE HD11 H 1 0.881 0.030 . 1 . . . . 51 ILE HD1 . 10060 1 575 . 1 1 51 51 ILE HD12 H 1 0.881 0.030 . 1 . . . . 51 ILE HD1 . 10060 1 576 . 1 1 51 51 ILE HD13 H 1 0.881 0.030 . 1 . . . . 51 ILE HD1 . 10060 1 577 . 1 1 51 51 ILE C C 13 174.625 0.300 . 1 . . . . 51 ILE C . 10060 1 578 . 1 1 51 51 ILE CA C 13 64.577 0.300 . 1 . . . . 51 ILE CA . 10060 1 579 . 1 1 51 51 ILE CB C 13 37.970 0.300 . 1 . . . . 51 ILE CB . 10060 1 580 . 1 1 51 51 ILE CG1 C 13 25.506 0.300 . 1 . . . . 51 ILE CG1 . 10060 1 581 . 1 1 51 51 ILE CG2 C 13 19.545 0.300 . 1 . . . . 51 ILE CG2 . 10060 1 582 . 1 1 51 51 ILE CD1 C 13 15.240 0.300 . 1 . . . . 51 ILE CD1 . 10060 1 583 . 1 1 51 51 ILE N N 15 122.233 0.300 . 1 . . . . 51 ILE N . 10060 1 584 . 1 1 52 52 THR H H 1 9.102 0.030 . 1 . . . . 52 THR H . 10060 1 585 . 1 1 52 52 THR HA H 1 4.203 0.030 . 1 . . . . 52 THR HA . 10060 1 586 . 1 1 52 52 THR HB H 1 4.349 0.030 . 1 . . . . 52 THR HB . 10060 1 587 . 1 1 52 52 THR HG21 H 1 1.364 0.030 . 1 . . . . 52 THR HG2 . 10060 1 588 . 1 1 52 52 THR HG22 H 1 1.364 0.030 . 1 . . . . 52 THR HG2 . 10060 1 589 . 1 1 52 52 THR HG23 H 1 1.364 0.030 . 1 . . . . 52 THR HG2 . 10060 1 590 . 1 1 52 52 THR C C 13 175.375 0.300 . 1 . . . . 52 THR C . 10060 1 591 . 1 1 52 52 THR CA C 13 62.636 0.300 . 1 . . . . 52 THR CA . 10060 1 592 . 1 1 52 52 THR CB C 13 69.265 0.300 . 1 . . . . 52 THR CB . 10060 1 593 . 1 1 52 52 THR CG2 C 13 22.908 0.300 . 1 . . . . 52 THR CG2 . 10060 1 594 . 1 1 52 52 THR N N 15 111.430 0.300 . 1 . . . . 52 THR N . 10060 1 595 . 1 1 53 53 LEU H H 1 7.198 0.030 . 1 . . . . 53 LEU H . 10060 1 596 . 1 1 53 53 LEU HA H 1 4.564 0.030 . 1 . . . . 53 LEU HA . 10060 1 597 . 1 1 53 53 LEU HB2 H 1 1.733 0.030 . 2 . . . . 53 LEU HB2 . 10060 1 598 . 1 1 53 53 LEU HB3 H 1 1.692 0.030 . 2 . . . . 53 LEU HB3 . 10060 1 599 . 1 1 53 53 LEU HG H 1 1.733 0.030 . 1 . . . . 53 LEU HG . 10060 1 600 . 1 1 53 53 LEU HD11 H 1 1.029 0.030 . 1 . . . . 53 LEU HD1 . 10060 1 601 . 1 1 53 53 LEU HD12 H 1 1.029 0.030 . 1 . . . . 53 LEU HD1 . 10060 1 602 . 1 1 53 53 LEU HD13 H 1 1.029 0.030 . 1 . . . . 53 LEU HD1 . 10060 1 603 . 1 1 53 53 LEU HD21 H 1 0.889 0.030 . 1 . . . . 53 LEU HD2 . 10060 1 604 . 1 1 53 53 LEU HD22 H 1 0.889 0.030 . 1 . . . . 53 LEU HD2 . 10060 1 605 . 1 1 53 53 LEU HD23 H 1 0.889 0.030 . 1 . . . . 53 LEU HD2 . 10060 1 606 . 1 1 53 53 LEU C C 13 177.866 0.300 . 1 . . . . 53 LEU C . 10060 1 607 . 1 1 53 53 LEU CA C 13 53.279 0.300 . 1 . . . . 53 LEU CA . 10060 1 608 . 1 1 53 53 LEU CB C 13 40.010 0.300 . 1 . . . . 53 LEU CB . 10060 1 609 . 1 1 53 53 LEU CG C 13 26.530 0.300 . 1 . . . . 53 LEU CG . 10060 1 610 . 1 1 53 53 LEU CD1 C 13 25.758 0.300 . 2 . . . . 53 LEU CD1 . 10060 1 611 . 1 1 53 53 LEU CD2 C 13 21.947 0.300 . 2 . . . . 53 LEU CD2 . 10060 1 612 . 1 1 53 53 LEU N N 15 123.018 0.300 . 1 . . . . 53 LEU N . 10060 1 613 . 1 1 54 54 PRO HA H 1 4.187 0.030 . 1 . . . . 54 PRO HA . 10060 1 614 . 1 1 54 54 PRO HB2 H 1 2.395 0.030 . 2 . . . . 54 PRO HB2 . 10060 1 615 . 1 1 54 54 PRO HB3 H 1 2.014 0.030 . 2 . . . . 54 PRO HB3 . 10060 1 616 . 1 1 54 54 PRO HG2 H 1 2.226 0.030 . 2 . . . . 54 PRO HG2 . 10060 1 617 . 1 1 54 54 PRO HG3 H 1 2.112 0.030 . 2 . . . . 54 PRO HG3 . 10060 1 618 . 1 1 54 54 PRO HD2 H 1 3.932 0.030 . 2 . . . . 54 PRO HD2 . 10060 1 619 . 1 1 54 54 PRO HD3 H 1 3.853 0.030 . 2 . . . . 54 PRO HD3 . 10060 1 620 . 1 1 54 54 PRO CA C 13 66.107 0.300 . 1 . . . . 54 PRO CA . 10060 1 621 . 1 1 54 54 PRO CB C 13 31.744 0.300 . 1 . . . . 54 PRO CB . 10060 1 622 . 1 1 54 54 PRO CG C 13 27.606 0.300 . 1 . . . . 54 PRO CG . 10060 1 623 . 1 1 54 54 PRO CD C 13 50.490 0.300 . 1 . . . . 54 PRO CD . 10060 1 624 . 1 1 55 55 GLU H H 1 9.998 0.030 . 1 . . . . 55 GLU H . 10060 1 625 . 1 1 55 55 GLU HA H 1 4.313 0.030 . 1 . . . . 55 GLU HA . 10060 1 626 . 1 1 55 55 GLU HB2 H 1 2.095 0.030 . 1 . . . . 55 GLU HB2 . 10060 1 627 . 1 1 55 55 GLU HB3 H 1 2.095 0.030 . 1 . . . . 55 GLU HB3 . 10060 1 628 . 1 1 55 55 GLU HG2 H 1 2.293 0.030 . 2 . . . . 55 GLU HG2 . 10060 1 629 . 1 1 55 55 GLU HG3 H 1 2.074 0.030 . 2 . . . . 55 GLU HG3 . 10060 1 630 . 1 1 55 55 GLU CA C 13 58.018 0.300 . 1 . . . . 55 GLU CA . 10060 1 631 . 1 1 55 55 GLU CB C 13 28.100 0.300 . 1 . . . . 55 GLU CB . 10060 1 632 . 1 1 55 55 GLU CG C 13 35.353 0.300 . 1 . . . . 55 GLU CG . 10060 1 633 . 1 1 55 55 GLU N N 15 116.501 0.300 . 1 . . . . 55 GLU N . 10060 1 634 . 1 1 56 56 ASN H H 1 8.129 0.030 . 1 . . . . 56 ASN H . 10060 1 635 . 1 1 56 56 ASN HA H 1 5.560 0.030 . 1 . . . . 56 ASN HA . 10060 1 636 . 1 1 56 56 ASN HB2 H 1 3.202 0.030 . 2 . . . . 56 ASN HB2 . 10060 1 637 . 1 1 56 56 ASN HB3 H 1 2.916 0.030 . 2 . . . . 56 ASN HB3 . 10060 1 638 . 1 1 56 56 ASN HD21 H 1 7.920 0.030 . 2 . . . . 56 ASN HD21 . 10060 1 639 . 1 1 56 56 ASN HD22 H 1 7.445 0.030 . 2 . . . . 56 ASN HD22 . 10060 1 640 . 1 1 56 56 ASN CA C 13 52.574 0.300 . 1 . . . . 56 ASN CA . 10060 1 641 . 1 1 56 56 ASN CB C 13 39.556 0.300 . 1 . . . . 56 ASN CB . 10060 1 642 . 1 1 56 56 ASN N N 15 118.196 0.300 . 1 . . . . 56 ASN N . 10060 1 643 . 1 1 56 56 ASN ND2 N 15 116.156 0.300 . 1 . . . . 56 ASN ND2 . 10060 1 644 . 1 1 57 57 SER H H 1 7.525 0.030 . 1 . . . . 57 SER H . 10060 1 645 . 1 1 57 57 SER HA H 1 4.460 0.030 . 1 . . . . 57 SER HA . 10060 1 646 . 1 1 57 57 SER HB2 H 1 4.064 0.030 . 2 . . . . 57 SER HB2 . 10060 1 647 . 1 1 57 57 SER HB3 H 1 4.028 0.030 . 2 . . . . 57 SER HB3 . 10060 1 648 . 1 1 57 57 SER C C 13 176.587 0.300 . 1 . . . . 57 SER C . 10060 1 649 . 1 1 57 57 SER CA C 13 62.512 0.300 . 1 . . . . 57 SER CA . 10060 1 650 . 1 1 57 57 SER CB C 13 62.694 0.300 . 1 . . . . 57 SER CB . 10060 1 651 . 1 1 57 57 SER N N 15 117.079 0.300 . 1 . . . . 57 SER N . 10060 1 652 . 1 1 58 58 THR H H 1 8.559 0.030 . 1 . . . . 58 THR H . 10060 1 653 . 1 1 58 58 THR HA H 1 3.926 0.030 . 1 . . . . 58 THR HA . 10060 1 654 . 1 1 58 58 THR HB H 1 3.592 0.030 . 1 . . . . 58 THR HB . 10060 1 655 . 1 1 58 58 THR HG21 H 1 0.662 0.030 . 1 . . . . 58 THR HG2 . 10060 1 656 . 1 1 58 58 THR HG22 H 1 0.662 0.030 . 1 . . . . 58 THR HG2 . 10060 1 657 . 1 1 58 58 THR HG23 H 1 0.662 0.030 . 1 . . . . 58 THR HG2 . 10060 1 658 . 1 1 58 58 THR C C 13 176.403 0.300 . 1 . . . . 58 THR C . 10060 1 659 . 1 1 58 58 THR CA C 13 65.554 0.300 . 1 . . . . 58 THR CA . 10060 1 660 . 1 1 58 58 THR CB C 13 67.916 0.300 . 1 . . . . 58 THR CB . 10060 1 661 . 1 1 58 58 THR CG2 C 13 20.925 0.300 . 1 . . . . 58 THR CG2 . 10060 1 662 . 1 1 58 58 THR N N 15 117.358 0.300 . 1 . . . . 58 THR N . 10060 1 663 . 1 1 59 59 TRP H H 1 7.090 0.030 . 1 . . . . 59 TRP H . 10060 1 664 . 1 1 59 59 TRP HA H 1 4.354 0.030 . 1 . . . . 59 TRP HA . 10060 1 665 . 1 1 59 59 TRP HB2 H 1 3.217 0.030 . 1 . . . . 59 TRP HB2 . 10060 1 666 . 1 1 59 59 TRP HB3 H 1 3.217 0.030 . 1 . . . . 59 TRP HB3 . 10060 1 667 . 1 1 59 59 TRP HD1 H 1 7.183 0.030 . 1 . . . . 59 TRP HD1 . 10060 1 668 . 1 1 59 59 TRP HE1 H 1 10.390 0.030 . 1 . . . . 59 TRP HE1 . 10060 1 669 . 1 1 59 59 TRP HE3 H 1 6.855 0.030 . 1 . . . . 59 TRP HE3 . 10060 1 670 . 1 1 59 59 TRP HZ2 H 1 7.658 0.030 . 1 . . . . 59 TRP HZ2 . 10060 1 671 . 1 1 59 59 TRP HZ3 H 1 6.951 0.030 . 1 . . . . 59 TRP HZ3 . 10060 1 672 . 1 1 59 59 TRP HH2 H 1 7.412 0.030 . 1 . . . . 59 TRP HH2 . 10060 1 673 . 1 1 59 59 TRP C C 13 177.656 0.300 . 1 . . . . 59 TRP C . 10060 1 674 . 1 1 59 59 TRP CA C 13 57.946 0.300 . 1 . . . . 59 TRP CA . 10060 1 675 . 1 1 59 59 TRP CB C 13 30.643 0.300 . 1 . . . . 59 TRP CB . 10060 1 676 . 1 1 59 59 TRP CD1 C 13 126.716 0.300 . 1 . . . . 59 TRP CD1 . 10060 1 677 . 1 1 59 59 TRP CE3 C 13 121.161 0.300 . 1 . . . . 59 TRP CE3 . 10060 1 678 . 1 1 59 59 TRP CZ2 C 13 115.050 0.300 . 1 . . . . 59 TRP CZ2 . 10060 1 679 . 1 1 59 59 TRP CZ3 C 13 121.385 0.300 . 1 . . . . 59 TRP CZ3 . 10060 1 680 . 1 1 59 59 TRP CH2 C 13 124.897 0.300 . 1 . . . . 59 TRP CH2 . 10060 1 681 . 1 1 59 59 TRP N N 15 121.740 0.300 . 1 . . . . 59 TRP N . 10060 1 682 . 1 1 59 59 TRP NE1 N 15 129.014 0.300 . 1 . . . . 59 TRP NE1 . 10060 1 683 . 1 1 60 60 TYR H H 1 8.222 0.030 . 1 . . . . 60 TYR H . 10060 1 684 . 1 1 60 60 TYR HA H 1 3.950 0.030 . 1 . . . . 60 TYR HA . 10060 1 685 . 1 1 60 60 TYR HB2 H 1 3.732 0.030 . 2 . . . . 60 TYR HB2 . 10060 1 686 . 1 1 60 60 TYR HB3 H 1 3.192 0.030 . 2 . . . . 60 TYR HB3 . 10060 1 687 . 1 1 60 60 TYR HD1 H 1 6.924 0.030 . 1 . . . . 60 TYR HD1 . 10060 1 688 . 1 1 60 60 TYR HD2 H 1 6.924 0.030 . 1 . . . . 60 TYR HD2 . 10060 1 689 . 1 1 60 60 TYR HE1 H 1 6.679 0.030 . 1 . . . . 60 TYR HE1 . 10060 1 690 . 1 1 60 60 TYR HE2 H 1 6.679 0.030 . 1 . . . . 60 TYR HE2 . 10060 1 691 . 1 1 60 60 TYR C C 13 176.380 0.300 . 1 . . . . 60 TYR C . 10060 1 692 . 1 1 60 60 TYR CA C 13 62.547 0.300 . 1 . . . . 60 TYR CA . 10060 1 693 . 1 1 60 60 TYR CB C 13 37.194 0.300 . 1 . . . . 60 TYR CB . 10060 1 694 . 1 1 60 60 TYR CD1 C 13 133.051 0.300 . 1 . . . . 60 TYR CD1 . 10060 1 695 . 1 1 60 60 TYR CD2 C 13 133.051 0.300 . 1 . . . . 60 TYR CD2 . 10060 1 696 . 1 1 60 60 TYR CE1 C 13 117.988 0.300 . 1 . . . . 60 TYR CE1 . 10060 1 697 . 1 1 60 60 TYR CE2 C 13 117.988 0.300 . 1 . . . . 60 TYR CE2 . 10060 1 698 . 1 1 60 60 TYR N N 15 121.048 0.300 . 1 . . . . 60 TYR N . 10060 1 699 . 1 1 61 61 GLU H H 1 8.026 0.030 . 1 . . . . 61 GLU H . 10060 1 700 . 1 1 61 61 GLU HA H 1 3.781 0.030 . 1 . . . . 61 GLU HA . 10060 1 701 . 1 1 61 61 GLU HB2 H 1 1.984 0.030 . 1 . . . . 61 GLU HB2 . 10060 1 702 . 1 1 61 61 GLU HB3 H 1 1.984 0.030 . 1 . . . . 61 GLU HB3 . 10060 1 703 . 1 1 61 61 GLU HG2 H 1 2.391 0.030 . 1 . . . . 61 GLU HG2 . 10060 1 704 . 1 1 61 61 GLU HG3 H 1 2.391 0.030 . 1 . . . . 61 GLU HG3 . 10060 1 705 . 1 1 61 61 GLU C C 13 178.344 0.300 . 1 . . . . 61 GLU C . 10060 1 706 . 1 1 61 61 GLU CA C 13 58.630 0.300 . 1 . . . . 61 GLU CA . 10060 1 707 . 1 1 61 61 GLU CB C 13 29.046 0.300 . 1 . . . . 61 GLU CB . 10060 1 708 . 1 1 61 61 GLU CG C 13 35.768 0.300 . 1 . . . . 61 GLU CG . 10060 1 709 . 1 1 61 61 GLU N N 15 114.957 0.300 . 1 . . . . 61 GLU N . 10060 1 710 . 1 1 62 62 ARG H H 1 7.043 0.030 . 1 . . . . 62 ARG H . 10060 1 711 . 1 1 62 62 ARG HA H 1 4.004 0.030 . 1 . . . . 62 ARG HA . 10060 1 712 . 1 1 62 62 ARG HB2 H 1 1.287 0.030 . 2 . . . . 62 ARG HB2 . 10060 1 713 . 1 1 62 62 ARG HB3 H 1 1.156 0.030 . 2 . . . . 62 ARG HB3 . 10060 1 714 . 1 1 62 62 ARG HG2 H 1 1.272 0.030 . 2 . . . . 62 ARG HG2 . 10060 1 715 . 1 1 62 62 ARG HG3 H 1 1.172 0.030 . 2 . . . . 62 ARG HG3 . 10060 1 716 . 1 1 62 62 ARG HD2 H 1 2.755 0.030 . 2 . . . . 62 ARG HD2 . 10060 1 717 . 1 1 62 62 ARG HD3 H 1 2.604 0.030 . 2 . . . . 62 ARG HD3 . 10060 1 718 . 1 1 62 62 ARG C C 13 178.837 0.300 . 1 . . . . 62 ARG C . 10060 1 719 . 1 1 62 62 ARG CA C 13 58.306 0.300 . 1 . . . . 62 ARG CA . 10060 1 720 . 1 1 62 62 ARG CB C 13 31.236 0.300 . 1 . . . . 62 ARG CB . 10060 1 721 . 1 1 62 62 ARG CG C 13 26.534 0.300 . 1 . . . . 62 ARG CG . 10060 1 722 . 1 1 62 62 ARG CD C 13 43.430 0.300 . 1 . . . . 62 ARG CD . 10060 1 723 . 1 1 62 62 ARG N N 15 114.334 0.300 . 1 . . . . 62 ARG N . 10060 1 724 . 1 1 63 63 TYR H H 1 8.031 0.030 . 1 . . . . 63 TYR H . 10060 1 725 . 1 1 63 63 TYR HA H 1 5.371 0.030 . 1 . . . . 63 TYR HA . 10060 1 726 . 1 1 63 63 TYR HB2 H 1 3.382 0.030 . 2 . . . . 63 TYR HB2 . 10060 1 727 . 1 1 63 63 TYR HB3 H 1 2.696 0.030 . 2 . . . . 63 TYR HB3 . 10060 1 728 . 1 1 63 63 TYR HD1 H 1 6.630 0.030 . 1 . . . . 63 TYR HD1 . 10060 1 729 . 1 1 63 63 TYR HD2 H 1 6.630 0.030 . 1 . . . . 63 TYR HD2 . 10060 1 730 . 1 1 63 63 TYR HE1 H 1 6.205 0.030 . 1 . . . . 63 TYR HE1 . 10060 1 731 . 1 1 63 63 TYR HE2 H 1 6.205 0.030 . 1 . . . . 63 TYR HE2 . 10060 1 732 . 1 1 63 63 TYR C C 13 177.489 0.300 . 1 . . . . 63 TYR C . 10060 1 733 . 1 1 63 63 TYR CA C 13 55.448 0.300 . 1 . . . . 63 TYR CA . 10060 1 734 . 1 1 63 63 TYR CB C 13 39.272 0.300 . 1 . . . . 63 TYR CB . 10060 1 735 . 1 1 63 63 TYR CD1 C 13 131.058 0.300 . 1 . . . . 63 TYR CD1 . 10060 1 736 . 1 1 63 63 TYR CD2 C 13 131.058 0.300 . 1 . . . . 63 TYR CD2 . 10060 1 737 . 1 1 63 63 TYR CE1 C 13 119.789 0.300 . 1 . . . . 63 TYR CE1 . 10060 1 738 . 1 1 63 63 TYR CE2 C 13 119.789 0.300 . 1 . . . . 63 TYR CE2 . 10060 1 739 . 1 1 63 63 TYR N N 15 114.375 0.300 . 1 . . . . 63 TYR N . 10060 1 740 . 1 1 64 64 LYS H H 1 7.722 0.030 . 1 . . . . 64 LYS H . 10060 1 741 . 1 1 64 64 LYS HA H 1 3.522 0.030 . 1 . . . . 64 LYS HA . 10060 1 742 . 1 1 64 64 LYS HB2 H 1 0.922 0.030 . 1 . . . . 64 LYS HB2 . 10060 1 743 . 1 1 64 64 LYS HB3 H 1 0.922 0.030 . 1 . . . . 64 LYS HB3 . 10060 1 744 . 1 1 64 64 LYS HG2 H 1 0.591 0.030 . 2 . . . . 64 LYS HG2 . 10060 1 745 . 1 1 64 64 LYS HG3 H 1 -0.187 0.030 . 2 . . . . 64 LYS HG3 . 10060 1 746 . 1 1 64 64 LYS HD2 H 1 0.924 0.030 . 2 . . . . 64 LYS HD2 . 10060 1 747 . 1 1 64 64 LYS HD3 H 1 0.831 0.030 . 2 . . . . 64 LYS HD3 . 10060 1 748 . 1 1 64 64 LYS HE2 H 1 2.499 0.030 . 2 . . . . 64 LYS HE2 . 10060 1 749 . 1 1 64 64 LYS HE3 H 1 2.434 0.030 . 2 . . . . 64 LYS HE3 . 10060 1 750 . 1 1 64 64 LYS C C 13 176.464 0.300 . 1 . . . . 64 LYS C . 10060 1 751 . 1 1 64 64 LYS CA C 13 60.193 0.300 . 1 . . . . 64 LYS CA . 10060 1 752 . 1 1 64 64 LYS CB C 13 30.351 0.300 . 1 . . . . 64 LYS CB . 10060 1 753 . 1 1 64 64 LYS CG C 13 22.049 0.300 . 1 . . . . 64 LYS CG . 10060 1 754 . 1 1 64 64 LYS CD C 13 29.292 0.300 . 1 . . . . 64 LYS CD . 10060 1 755 . 1 1 64 64 LYS CE C 13 42.212 0.300 . 1 . . . . 64 LYS CE . 10060 1 756 . 1 1 64 64 LYS N N 15 118.357 0.300 . 1 . . . . 64 LYS N . 10060 1 757 . 1 1 65 65 PHE H H 1 8.382 0.030 . 1 . . . . 65 PHE H . 10060 1 758 . 1 1 65 65 PHE HA H 1 4.933 0.030 . 1 . . . . 65 PHE HA . 10060 1 759 . 1 1 65 65 PHE HB2 H 1 3.414 0.030 . 2 . . . . 65 PHE HB2 . 10060 1 760 . 1 1 65 65 PHE HB3 H 1 2.817 0.030 . 2 . . . . 65 PHE HB3 . 10060 1 761 . 1 1 65 65 PHE HD1 H 1 7.357 0.030 . 1 . . . . 65 PHE HD1 . 10060 1 762 . 1 1 65 65 PHE HD2 H 1 7.357 0.030 . 1 . . . . 65 PHE HD2 . 10060 1 763 . 1 1 65 65 PHE HE1 H 1 7.305 0.030 . 1 . . . . 65 PHE HE1 . 10060 1 764 . 1 1 65 65 PHE HE2 H 1 7.305 0.030 . 1 . . . . 65 PHE HE2 . 10060 1 765 . 1 1 65 65 PHE HZ H 1 7.290 0.030 . 1 . . . . 65 PHE HZ . 10060 1 766 . 1 1 65 65 PHE C C 13 176.901 0.300 . 1 . . . . 65 PHE C . 10060 1 767 . 1 1 65 65 PHE CA C 13 57.515 0.300 . 1 . . . . 65 PHE CA . 10060 1 768 . 1 1 65 65 PHE CB C 13 39.146 0.300 . 1 . . . . 65 PHE CB . 10060 1 769 . 1 1 65 65 PHE CD1 C 13 131.577 0.300 . 1 . . . . 65 PHE CD1 . 10060 1 770 . 1 1 65 65 PHE CD2 C 13 131.577 0.300 . 1 . . . . 65 PHE CD2 . 10060 1 771 . 1 1 65 65 PHE CE1 C 13 131.577 0.300 . 1 . . . . 65 PHE CE1 . 10060 1 772 . 1 1 65 65 PHE CE2 C 13 131.577 0.300 . 1 . . . . 65 PHE CE2 . 10060 1 773 . 1 1 65 65 PHE CZ C 13 129.650 0.300 . 1 . . . . 65 PHE CZ . 10060 1 774 . 1 1 65 65 PHE N N 15 116.340 0.300 . 1 . . . . 65 PHE N . 10060 1 775 . 1 1 66 66 ASP H H 1 7.949 0.030 . 1 . . . . 66 ASP H . 10060 1 776 . 1 1 66 66 ASP HA H 1 5.066 0.030 . 1 . . . . 66 ASP HA . 10060 1 777 . 1 1 66 66 ASP HB2 H 1 3.383 0.030 . 2 . . . . 66 ASP HB2 . 10060 1 778 . 1 1 66 66 ASP HB3 H 1 2.149 0.030 . 2 . . . . 66 ASP HB3 . 10060 1 779 . 1 1 66 66 ASP CA C 13 55.545 0.300 . 1 . . . . 66 ASP CA . 10060 1 780 . 1 1 66 66 ASP CB C 13 45.985 0.300 . 1 . . . . 66 ASP CB . 10060 1 781 . 1 1 66 66 ASP N N 15 119.716 0.300 . 1 . . . . 66 ASP N . 10060 1 782 . 1 1 67 67 ILE H H 1 6.796 0.030 . 1 . . . . 67 ILE H . 10060 1 783 . 1 1 67 67 ILE HA H 1 3.922 0.030 . 1 . . . . 67 ILE HA . 10060 1 784 . 1 1 67 67 ILE HB H 1 1.993 0.030 . 1 . . . . 67 ILE HB . 10060 1 785 . 1 1 67 67 ILE HG12 H 1 1.442 0.030 . 2 . . . . 67 ILE HG12 . 10060 1 786 . 1 1 67 67 ILE HG13 H 1 1.405 0.030 . 2 . . . . 67 ILE HG13 . 10060 1 787 . 1 1 67 67 ILE HG21 H 1 0.950 0.030 . 1 . . . . 67 ILE HG2 . 10060 1 788 . 1 1 67 67 ILE HG22 H 1 0.950 0.030 . 1 . . . . 67 ILE HG2 . 10060 1 789 . 1 1 67 67 ILE HG23 H 1 0.950 0.030 . 1 . . . . 67 ILE HG2 . 10060 1 790 . 1 1 67 67 ILE HD11 H 1 0.824 0.030 . 1 . . . . 67 ILE HD1 . 10060 1 791 . 1 1 67 67 ILE HD12 H 1 0.824 0.030 . 1 . . . . 67 ILE HD1 . 10060 1 792 . 1 1 67 67 ILE HD13 H 1 0.824 0.030 . 1 . . . . 67 ILE HD1 . 10060 1 793 . 1 1 67 67 ILE CA C 13 59.516 0.300 . 1 . . . . 67 ILE CA . 10060 1 794 . 1 1 67 67 ILE CB C 13 36.923 0.300 . 1 . . . . 67 ILE CB . 10060 1 795 . 1 1 67 67 ILE CG1 C 13 25.775 0.300 . 1 . . . . 67 ILE CG1 . 10060 1 796 . 1 1 67 67 ILE CG2 C 13 19.521 0.300 . 1 . . . . 67 ILE CG2 . 10060 1 797 . 1 1 67 67 ILE CD1 C 13 13.676 0.300 . 1 . . . . 67 ILE CD1 . 10060 1 798 . 1 1 67 67 ILE N N 15 112.295 0.300 . 1 . . . . 67 ILE N . 10060 1 799 . 1 1 68 68 PRO HA H 1 4.780 0.030 . 1 . . . . 68 PRO HA . 10060 1 800 . 1 1 68 68 PRO HB2 H 1 2.260 0.030 . 2 . . . . 68 PRO HB2 . 10060 1 801 . 1 1 68 68 PRO HB3 H 1 1.273 0.030 . 2 . . . . 68 PRO HB3 . 10060 1 802 . 1 1 68 68 PRO HG2 H 1 1.825 0.030 . 2 . . . . 68 PRO HG2 . 10060 1 803 . 1 1 68 68 PRO HG3 H 1 1.739 0.030 . 2 . . . . 68 PRO HG3 . 10060 1 804 . 1 1 68 68 PRO HD2 H 1 3.989 0.030 . 2 . . . . 68 PRO HD2 . 10060 1 805 . 1 1 68 68 PRO HD3 H 1 3.244 0.030 . 2 . . . . 68 PRO HD3 . 10060 1 806 . 1 1 68 68 PRO C C 13 174.099 0.300 . 1 . . . . 68 PRO C . 10060 1 807 . 1 1 68 68 PRO CA C 13 61.644 0.300 . 1 . . . . 68 PRO CA . 10060 1 808 . 1 1 68 68 PRO CB C 13 34.310 0.300 . 1 . . . . 68 PRO CB . 10060 1 809 . 1 1 68 68 PRO CG C 13 24.721 0.300 . 1 . . . . 68 PRO CG . 10060 1 810 . 1 1 68 68 PRO CD C 13 51.137 0.300 . 1 . . . . 68 PRO CD . 10060 1 811 . 1 1 69 69 VAL H H 1 7.367 0.030 . 1 . . . . 69 VAL H . 10060 1 812 . 1 1 69 69 VAL HA H 1 4.261 0.030 . 1 . . . . 69 VAL HA . 10060 1 813 . 1 1 69 69 VAL HB H 1 1.160 0.030 . 1 . . . . 69 VAL HB . 10060 1 814 . 1 1 69 69 VAL HG11 H 1 0.492 0.030 . 1 . . . . 69 VAL HG1 . 10060 1 815 . 1 1 69 69 VAL HG12 H 1 0.492 0.030 . 1 . . . . 69 VAL HG1 . 10060 1 816 . 1 1 69 69 VAL HG13 H 1 0.492 0.030 . 1 . . . . 69 VAL HG1 . 10060 1 817 . 1 1 69 69 VAL HG21 H 1 0.382 0.030 . 1 . . . . 69 VAL HG2 . 10060 1 818 . 1 1 69 69 VAL HG22 H 1 0.382 0.030 . 1 . . . . 69 VAL HG2 . 10060 1 819 . 1 1 69 69 VAL HG23 H 1 0.382 0.030 . 1 . . . . 69 VAL HG2 . 10060 1 820 . 1 1 69 69 VAL C C 13 172.824 0.300 . 1 . . . . 69 VAL C . 10060 1 821 . 1 1 69 69 VAL CA C 13 61.487 0.300 . 1 . . . . 69 VAL CA . 10060 1 822 . 1 1 69 69 VAL CB C 13 33.898 0.300 . 1 . . . . 69 VAL CB . 10060 1 823 . 1 1 69 69 VAL CG1 C 13 22.236 0.300 . 2 . . . . 69 VAL CG1 . 10060 1 824 . 1 1 69 69 VAL CG2 C 13 21.681 0.300 . 2 . . . . 69 VAL CG2 . 10060 1 825 . 1 1 69 69 VAL N N 15 119.794 0.300 . 1 . . . . 69 VAL N . 10060 1 826 . 1 1 70 70 PHE H H 1 8.507 0.030 . 1 . . . . 70 PHE H . 10060 1 827 . 1 1 70 70 PHE HA H 1 5.688 0.030 . 1 . . . . 70 PHE HA . 10060 1 828 . 1 1 70 70 PHE HB2 H 1 2.723 0.030 . 2 . . . . 70 PHE HB2 . 10060 1 829 . 1 1 70 70 PHE HB3 H 1 2.501 0.030 . 2 . . . . 70 PHE HB3 . 10060 1 830 . 1 1 70 70 PHE HD1 H 1 6.845 0.030 . 1 . . . . 70 PHE HD1 . 10060 1 831 . 1 1 70 70 PHE HD2 H 1 6.845 0.030 . 1 . . . . 70 PHE HD2 . 10060 1 832 . 1 1 70 70 PHE HE1 H 1 6.774 0.030 . 1 . . . . 70 PHE HE1 . 10060 1 833 . 1 1 70 70 PHE HE2 H 1 6.774 0.030 . 1 . . . . 70 PHE HE2 . 10060 1 834 . 1 1 70 70 PHE C C 13 175.685 0.300 . 1 . . . . 70 PHE C . 10060 1 835 . 1 1 70 70 PHE CA C 13 55.125 0.300 . 1 . . . . 70 PHE CA . 10060 1 836 . 1 1 70 70 PHE CB C 13 41.192 0.300 . 1 . . . . 70 PHE CB . 10060 1 837 . 1 1 70 70 PHE CD1 C 13 132.564 0.300 . 1 . . . . 70 PHE CD1 . 10060 1 838 . 1 1 70 70 PHE CD2 C 13 132.564 0.300 . 1 . . . . 70 PHE CD2 . 10060 1 839 . 1 1 70 70 PHE CE1 C 13 130.439 0.300 . 1 . . . . 70 PHE CE1 . 10060 1 840 . 1 1 70 70 PHE CE2 C 13 130.439 0.300 . 1 . . . . 70 PHE CE2 . 10060 1 841 . 1 1 70 70 PHE N N 15 122.034 0.300 . 1 . . . . 70 PHE N . 10060 1 842 . 1 1 71 71 HIS H H 1 9.635 0.030 . 1 . . . . 71 HIS H . 10060 1 843 . 1 1 71 71 HIS HA H 1 5.405 0.030 . 1 . . . . 71 HIS HA . 10060 1 844 . 1 1 71 71 HIS HB2 H 1 3.054 0.030 . 2 . . . . 71 HIS HB2 . 10060 1 845 . 1 1 71 71 HIS HB3 H 1 2.632 0.030 . 2 . . . . 71 HIS HB3 . 10060 1 846 . 1 1 71 71 HIS HD2 H 1 6.781 0.030 . 1 . . . . 71 HIS HD2 . 10060 1 847 . 1 1 71 71 HIS HE1 H 1 7.816 0.030 . 1 . . . . 71 HIS HE1 . 10060 1 848 . 1 1 71 71 HIS C C 13 173.951 0.300 . 1 . . . . 71 HIS C . 10060 1 849 . 1 1 71 71 HIS CA C 13 52.628 0.300 . 1 . . . . 71 HIS CA . 10060 1 850 . 1 1 71 71 HIS CB C 13 33.660 0.300 . 1 . . . . 71 HIS CB . 10060 1 851 . 1 1 71 71 HIS CE1 C 13 139.621 0.300 . 1 . . . . 71 HIS CE1 . 10060 1 852 . 1 1 71 71 HIS N N 15 123.146 0.300 . 1 . . . . 71 HIS N . 10060 1 853 . 1 1 72 72 LEU H H 1 9.097 0.030 . 1 . . . . 72 LEU H . 10060 1 854 . 1 1 72 72 LEU HA H 1 5.286 0.030 . 1 . . . . 72 LEU HA . 10060 1 855 . 1 1 72 72 LEU HB2 H 1 1.855 0.030 . 2 . . . . 72 LEU HB2 . 10060 1 856 . 1 1 72 72 LEU HB3 H 1 1.097 0.030 . 2 . . . . 72 LEU HB3 . 10060 1 857 . 1 1 72 72 LEU HG H 1 1.359 0.030 . 1 . . . . 72 LEU HG . 10060 1 858 . 1 1 72 72 LEU HD11 H 1 0.751 0.030 . 1 . . . . 72 LEU HD1 . 10060 1 859 . 1 1 72 72 LEU HD12 H 1 0.751 0.030 . 1 . . . . 72 LEU HD1 . 10060 1 860 . 1 1 72 72 LEU HD13 H 1 0.751 0.030 . 1 . . . . 72 LEU HD1 . 10060 1 861 . 1 1 72 72 LEU HD21 H 1 0.701 0.030 . 1 . . . . 72 LEU HD2 . 10060 1 862 . 1 1 72 72 LEU HD22 H 1 0.701 0.030 . 1 . . . . 72 LEU HD2 . 10060 1 863 . 1 1 72 72 LEU HD23 H 1 0.701 0.030 . 1 . . . . 72 LEU HD2 . 10060 1 864 . 1 1 72 72 LEU C C 13 176.262 0.300 . 1 . . . . 72 LEU C . 10060 1 865 . 1 1 72 72 LEU CA C 13 53.526 0.300 . 1 . . . . 72 LEU CA . 10060 1 866 . 1 1 72 72 LEU CB C 13 45.366 0.300 . 1 . . . . 72 LEU CB . 10060 1 867 . 1 1 72 72 LEU CG C 13 27.412 0.300 . 1 . . . . 72 LEU CG . 10060 1 868 . 1 1 72 72 LEU CD1 C 13 26.595 0.300 . 2 . . . . 72 LEU CD1 . 10060 1 869 . 1 1 72 72 LEU CD2 C 13 23.813 0.300 . 2 . . . . 72 LEU CD2 . 10060 1 870 . 1 1 72 72 LEU N N 15 121.715 0.300 . 1 . . . . 72 LEU N . 10060 1 871 . 1 1 73 73 ASN H H 1 9.961 0.030 . 1 . . . . 73 ASN H . 10060 1 872 . 1 1 73 73 ASN HA H 1 4.501 0.030 . 1 . . . . 73 ASN HA . 10060 1 873 . 1 1 73 73 ASN HB2 H 1 3.280 0.030 . 2 . . . . 73 ASN HB2 . 10060 1 874 . 1 1 73 73 ASN HB3 H 1 2.749 0.030 . 2 . . . . 73 ASN HB3 . 10060 1 875 . 1 1 73 73 ASN HD21 H 1 7.676 0.030 . 2 . . . . 73 ASN HD21 . 10060 1 876 . 1 1 73 73 ASN HD22 H 1 7.062 0.030 . 2 . . . . 73 ASN HD22 . 10060 1 877 . 1 1 73 73 ASN C C 13 175.510 0.300 . 1 . . . . 73 ASN C . 10060 1 878 . 1 1 73 73 ASN CA C 13 54.017 0.300 . 1 . . . . 73 ASN CA . 10060 1 879 . 1 1 73 73 ASN CB C 13 37.014 0.300 . 1 . . . . 73 ASN CB . 10060 1 880 . 1 1 73 73 ASN N N 15 128.661 0.300 . 1 . . . . 73 ASN N . 10060 1 881 . 1 1 73 73 ASN ND2 N 15 111.160 0.300 . 1 . . . . 73 ASN ND2 . 10060 1 882 . 1 1 74 74 GLY H H 1 8.891 0.030 . 1 . . . . 74 GLY H . 10060 1 883 . 1 1 74 74 GLY HA2 H 1 4.237 0.030 . 2 . . . . 74 GLY HA2 . 10060 1 884 . 1 1 74 74 GLY HA3 H 1 4.041 0.030 . 2 . . . . 74 GLY HA3 . 10060 1 885 . 1 1 74 74 GLY C C 13 173.425 0.300 . 1 . . . . 74 GLY C . 10060 1 886 . 1 1 74 74 GLY CA C 13 45.465 0.300 . 1 . . . . 74 GLY CA . 10060 1 887 . 1 1 74 74 GLY N N 15 102.276 0.300 . 1 . . . . 74 GLY N . 10060 1 888 . 1 1 75 75 GLN H H 1 7.579 0.030 . 1 . . . . 75 GLN H . 10060 1 889 . 1 1 75 75 GLN HA H 1 4.521 0.030 . 1 . . . . 75 GLN HA . 10060 1 890 . 1 1 75 75 GLN HB2 H 1 2.113 0.030 . 2 . . . . 75 GLN HB2 . 10060 1 891 . 1 1 75 75 GLN HB3 H 1 1.979 0.030 . 2 . . . . 75 GLN HB3 . 10060 1 892 . 1 1 75 75 GLN HG2 H 1 2.384 0.030 . 1 . . . . 75 GLN HG2 . 10060 1 893 . 1 1 75 75 GLN HG3 H 1 2.384 0.030 . 1 . . . . 75 GLN HG3 . 10060 1 894 . 1 1 75 75 GLN HE21 H 1 7.610 0.030 . 2 . . . . 75 GLN HE21 . 10060 1 895 . 1 1 75 75 GLN HE22 H 1 6.917 0.030 . 2 . . . . 75 GLN HE22 . 10060 1 896 . 1 1 75 75 GLN C C 13 175.273 0.300 . 1 . . . . 75 GLN C . 10060 1 897 . 1 1 75 75 GLN CA C 13 53.221 0.300 . 1 . . . . 75 GLN CA . 10060 1 898 . 1 1 75 75 GLN CB C 13 31.022 0.300 . 1 . . . . 75 GLN CB . 10060 1 899 . 1 1 75 75 GLN CG C 13 33.401 0.300 . 1 . . . . 75 GLN CG . 10060 1 900 . 1 1 75 75 GLN N N 15 118.170 0.300 . 1 . . . . 75 GLN N . 10060 1 901 . 1 1 75 75 GLN NE2 N 15 112.826 0.300 . 1 . . . . 75 GLN NE2 . 10060 1 902 . 1 1 76 76 PHE H H 1 8.922 0.030 . 1 . . . . 76 PHE H . 10060 1 903 . 1 1 76 76 PHE HA H 1 3.895 0.030 . 1 . . . . 76 PHE HA . 10060 1 904 . 1 1 76 76 PHE HB2 H 1 3.016 0.030 . 2 . . . . 76 PHE HB2 . 10060 1 905 . 1 1 76 76 PHE HB3 H 1 2.820 0.030 . 2 . . . . 76 PHE HB3 . 10060 1 906 . 1 1 76 76 PHE HD1 H 1 7.165 0.030 . 1 . . . . 76 PHE HD1 . 10060 1 907 . 1 1 76 76 PHE HD2 H 1 7.165 0.030 . 1 . . . . 76 PHE HD2 . 10060 1 908 . 1 1 76 76 PHE HE1 H 1 7.121 0.030 . 1 . . . . 76 PHE HE1 . 10060 1 909 . 1 1 76 76 PHE HE2 H 1 7.121 0.030 . 1 . . . . 76 PHE HE2 . 10060 1 910 . 1 1 76 76 PHE C C 13 173.942 0.300 . 1 . . . . 76 PHE C . 10060 1 911 . 1 1 76 76 PHE CA C 13 61.397 0.300 . 1 . . . . 76 PHE CA . 10060 1 912 . 1 1 76 76 PHE CB C 13 38.924 0.300 . 1 . . . . 76 PHE CB . 10060 1 913 . 1 1 76 76 PHE CD1 C 13 131.635 0.300 . 1 . . . . 76 PHE CD1 . 10060 1 914 . 1 1 76 76 PHE CD2 C 13 131.635 0.300 . 1 . . . . 76 PHE CD2 . 10060 1 915 . 1 1 76 76 PHE CE1 C 13 128.873 0.300 . 1 . . . . 76 PHE CE1 . 10060 1 916 . 1 1 76 76 PHE CE2 C 13 128.873 0.300 . 1 . . . . 76 PHE CE2 . 10060 1 917 . 1 1 76 76 PHE N N 15 125.050 0.300 . 1 . . . . 76 PHE N . 10060 1 918 . 1 1 77 77 LEU H H 1 8.244 0.030 . 1 . . . . 77 LEU H . 10060 1 919 . 1 1 77 77 LEU HA H 1 4.507 0.030 . 1 . . . . 77 LEU HA . 10060 1 920 . 1 1 77 77 LEU HB2 H 1 1.333 0.030 . 2 . . . . 77 LEU HB2 . 10060 1 921 . 1 1 77 77 LEU HB3 H 1 1.225 0.030 . 2 . . . . 77 LEU HB3 . 10060 1 922 . 1 1 77 77 LEU HG H 1 1.180 0.030 . 1 . . . . 77 LEU HG . 10060 1 923 . 1 1 77 77 LEU HD11 H 1 0.784 0.030 . 1 . . . . 77 LEU HD1 . 10060 1 924 . 1 1 77 77 LEU HD12 H 1 0.784 0.030 . 1 . . . . 77 LEU HD1 . 10060 1 925 . 1 1 77 77 LEU HD13 H 1 0.784 0.030 . 1 . . . . 77 LEU HD1 . 10060 1 926 . 1 1 77 77 LEU HD21 H 1 0.553 0.030 . 1 . . . . 77 LEU HD2 . 10060 1 927 . 1 1 77 77 LEU HD22 H 1 0.553 0.030 . 1 . . . . 77 LEU HD2 . 10060 1 928 . 1 1 77 77 LEU HD23 H 1 0.553 0.030 . 1 . . . . 77 LEU HD2 . 10060 1 929 . 1 1 77 77 LEU C C 13 174.055 0.300 . 1 . . . . 77 LEU C . 10060 1 930 . 1 1 77 77 LEU CA C 13 55.289 0.300 . 1 . . . . 77 LEU CA . 10060 1 931 . 1 1 77 77 LEU CB C 13 44.921 0.300 . 1 . . . . 77 LEU CB . 10060 1 932 . 1 1 77 77 LEU CG C 13 27.332 0.300 . 1 . . . . 77 LEU CG . 10060 1 933 . 1 1 77 77 LEU CD1 C 13 23.073 0.300 . 2 . . . . 77 LEU CD1 . 10060 1 934 . 1 1 77 77 LEU CD2 C 13 27.378 0.300 . 2 . . . . 77 LEU CD2 . 10060 1 935 . 1 1 77 77 LEU N N 15 128.007 0.300 . 1 . . . . 77 LEU N . 10060 1 936 . 1 1 78 78 MET H H 1 7.020 0.030 . 1 . . . . 78 MET H . 10060 1 937 . 1 1 78 78 MET HA H 1 4.529 0.030 . 1 . . . . 78 MET HA . 10060 1 938 . 1 1 78 78 MET HB2 H 1 2.351 0.030 . 2 . . . . 78 MET HB2 . 10060 1 939 . 1 1 78 78 MET HB3 H 1 2.033 0.030 . 2 . . . . 78 MET HB3 . 10060 1 940 . 1 1 78 78 MET HG2 H 1 2.310 0.030 . 2 . . . . 78 MET HG2 . 10060 1 941 . 1 1 78 78 MET HG3 H 1 1.793 0.030 . 2 . . . . 78 MET HG3 . 10060 1 942 . 1 1 78 78 MET HE1 H 1 1.130 0.030 . 1 . . . . 78 MET HE . 10060 1 943 . 1 1 78 78 MET HE2 H 1 1.130 0.030 . 1 . . . . 78 MET HE . 10060 1 944 . 1 1 78 78 MET HE3 H 1 1.130 0.030 . 1 . . . . 78 MET HE . 10060 1 945 . 1 1 78 78 MET C C 13 171.872 0.300 . 1 . . . . 78 MET C . 10060 1 946 . 1 1 78 78 MET CA C 13 55.180 0.300 . 1 . . . . 78 MET CA . 10060 1 947 . 1 1 78 78 MET CB C 13 32.229 0.300 . 1 . . . . 78 MET CB . 10060 1 948 . 1 1 78 78 MET CG C 13 30.672 0.300 . 1 . . . . 78 MET CG . 10060 1 949 . 1 1 78 78 MET CE C 13 18.337 0.300 . 1 . . . . 78 MET CE . 10060 1 950 . 1 1 78 78 MET N N 15 108.585 0.300 . 1 . . . . 78 MET N . 10060 1 951 . 1 1 79 79 MET H H 1 9.118 0.030 . 1 . . . . 79 MET H . 10060 1 952 . 1 1 79 79 MET HA H 1 5.518 0.030 . 1 . . . . 79 MET HA . 10060 1 953 . 1 1 79 79 MET HB2 H 1 2.286 0.030 . 2 . . . . 79 MET HB2 . 10060 1 954 . 1 1 79 79 MET HB3 H 1 2.121 0.030 . 2 . . . . 79 MET HB3 . 10060 1 955 . 1 1 79 79 MET HG2 H 1 2.600 0.030 . 2 . . . . 79 MET HG2 . 10060 1 956 . 1 1 79 79 MET HG3 H 1 1.491 0.030 . 2 . . . . 79 MET HG3 . 10060 1 957 . 1 1 79 79 MET HE1 H 1 1.999 0.030 . 1 . . . . 79 MET HE . 10060 1 958 . 1 1 79 79 MET HE2 H 1 1.999 0.030 . 1 . . . . 79 MET HE . 10060 1 959 . 1 1 79 79 MET HE3 H 1 1.999 0.030 . 1 . . . . 79 MET HE . 10060 1 960 . 1 1 79 79 MET C C 13 174.800 0.300 . 1 . . . . 79 MET C . 10060 1 961 . 1 1 79 79 MET CA C 13 54.650 0.300 . 1 . . . . 79 MET CA . 10060 1 962 . 1 1 79 79 MET CB C 13 36.883 0.300 . 1 . . . . 79 MET CB . 10060 1 963 . 1 1 79 79 MET CG C 13 29.766 0.300 . 1 . . . . 79 MET CG . 10060 1 964 . 1 1 79 79 MET CE C 13 17.624 0.300 . 1 . . . . 79 MET CE . 10060 1 965 . 1 1 79 79 MET N N 15 115.884 0.300 . 1 . . . . 79 MET N . 10060 1 966 . 1 1 80 80 HIS H H 1 8.997 0.030 . 1 . . . . 80 HIS H . 10060 1 967 . 1 1 80 80 HIS HA H 1 4.092 0.030 . 1 . . . . 80 HIS HA . 10060 1 968 . 1 1 80 80 HIS HB2 H 1 4.093 0.030 . 2 . . . . 80 HIS HB2 . 10060 1 969 . 1 1 80 80 HIS HB3 H 1 3.288 0.030 . 2 . . . . 80 HIS HB3 . 10060 1 970 . 1 1 80 80 HIS HD2 H 1 7.677 0.030 . 1 . . . . 80 HIS HD2 . 10060 1 971 . 1 1 80 80 HIS HE1 H 1 8.240 0.030 . 1 . . . . 80 HIS HE1 . 10060 1 972 . 1 1 80 80 HIS C C 13 175.440 0.300 . 1 . . . . 80 HIS C . 10060 1 973 . 1 1 80 80 HIS CA C 13 60.607 0.300 . 1 . . . . 80 HIS CA . 10060 1 974 . 1 1 80 80 HIS CB C 13 29.245 0.300 . 1 . . . . 80 HIS CB . 10060 1 975 . 1 1 80 80 HIS CD2 C 13 118.675 0.300 . 1 . . . . 80 HIS CD2 . 10060 1 976 . 1 1 80 80 HIS CE1 C 13 137.551 0.300 . 1 . . . . 80 HIS CE1 . 10060 1 977 . 1 1 80 80 HIS N N 15 113.440 0.300 . 1 . . . . 80 HIS N . 10060 1 978 . 1 1 81 81 ARG H H 1 8.458 0.030 . 1 . . . . 81 ARG H . 10060 1 979 . 1 1 81 81 ARG HA H 1 4.650 0.030 . 1 . . . . 81 ARG HA . 10060 1 980 . 1 1 81 81 ARG HB2 H 1 1.919 0.030 . 2 . . . . 81 ARG HB2 . 10060 1 981 . 1 1 81 81 ARG HB3 H 1 1.766 0.030 . 2 . . . . 81 ARG HB3 . 10060 1 982 . 1 1 81 81 ARG HG2 H 1 1.668 0.030 . 2 . . . . 81 ARG HG2 . 10060 1 983 . 1 1 81 81 ARG HG3 H 1 1.512 0.030 . 2 . . . . 81 ARG HG3 . 10060 1 984 . 1 1 81 81 ARG HD2 H 1 3.245 0.030 . 1 . . . . 81 ARG HD2 . 10060 1 985 . 1 1 81 81 ARG HD3 H 1 3.245 0.030 . 1 . . . . 81 ARG HD3 . 10060 1 986 . 1 1 81 81 ARG C C 13 175.058 0.300 . 1 . . . . 81 ARG C . 10060 1 987 . 1 1 81 81 ARG CA C 13 54.389 0.300 . 1 . . . . 81 ARG CA . 10060 1 988 . 1 1 81 81 ARG CB C 13 33.522 0.300 . 1 . . . . 81 ARG CB . 10060 1 989 . 1 1 81 81 ARG CG C 13 26.643 0.300 . 1 . . . . 81 ARG CG . 10060 1 990 . 1 1 81 81 ARG CD C 13 43.222 0.300 . 1 . . . . 81 ARG CD . 10060 1 991 . 1 1 81 81 ARG N N 15 114.903 0.300 . 1 . . . . 81 ARG N . 10060 1 992 . 1 1 82 82 VAL H H 1 9.377 0.030 . 1 . . . . 82 VAL H . 10060 1 993 . 1 1 82 82 VAL HA H 1 3.034 0.030 . 1 . . . . 82 VAL HA . 10060 1 994 . 1 1 82 82 VAL HB H 1 1.962 0.030 . 1 . . . . 82 VAL HB . 10060 1 995 . 1 1 82 82 VAL HG11 H 1 0.412 0.030 . 1 . . . . 82 VAL HG1 . 10060 1 996 . 1 1 82 82 VAL HG12 H 1 0.412 0.030 . 1 . . . . 82 VAL HG1 . 10060 1 997 . 1 1 82 82 VAL HG13 H 1 0.412 0.030 . 1 . . . . 82 VAL HG1 . 10060 1 998 . 1 1 82 82 VAL HG21 H 1 0.786 0.030 . 1 . . . . 82 VAL HG2 . 10060 1 999 . 1 1 82 82 VAL HG22 H 1 0.786 0.030 . 1 . . . . 82 VAL HG2 . 10060 1 1000 . 1 1 82 82 VAL HG23 H 1 0.786 0.030 . 1 . . . . 82 VAL HG2 . 10060 1 1001 . 1 1 82 82 VAL C C 13 174.202 0.300 . 1 . . . . 82 VAL C . 10060 1 1002 . 1 1 82 82 VAL CA C 13 63.422 0.300 . 1 . . . . 82 VAL CA . 10060 1 1003 . 1 1 82 82 VAL CB C 13 31.698 0.300 . 1 . . . . 82 VAL CB . 10060 1 1004 . 1 1 82 82 VAL CG1 C 13 21.090 0.300 . 2 . . . . 82 VAL CG1 . 10060 1 1005 . 1 1 82 82 VAL CG2 C 13 23.062 0.300 . 2 . . . . 82 VAL CG2 . 10060 1 1006 . 1 1 82 82 VAL N N 15 121.638 0.300 . 1 . . . . 82 VAL N . 10060 1 1007 . 1 1 83 83 ASN H H 1 7.407 0.030 . 1 . . . . 83 ASN H . 10060 1 1008 . 1 1 83 83 ASN HA H 1 4.910 0.030 . 1 . . . . 83 ASN HA . 10060 1 1009 . 1 1 83 83 ASN HB2 H 1 2.959 0.030 . 2 . . . . 83 ASN HB2 . 10060 1 1010 . 1 1 83 83 ASN HB3 H 1 2.718 0.030 . 2 . . . . 83 ASN HB3 . 10060 1 1011 . 1 1 83 83 ASN HD21 H 1 7.854 0.030 . 2 . . . . 83 ASN HD21 . 10060 1 1012 . 1 1 83 83 ASN HD22 H 1 7.176 0.030 . 2 . . . . 83 ASN HD22 . 10060 1 1013 . 1 1 83 83 ASN C C 13 175.910 0.300 . 1 . . . . 83 ASN C . 10060 1 1014 . 1 1 83 83 ASN CA C 13 51.549 0.300 . 1 . . . . 83 ASN CA . 10060 1 1015 . 1 1 83 83 ASN CB C 13 38.293 0.300 . 1 . . . . 83 ASN CB . 10060 1 1016 . 1 1 83 83 ASN N N 15 128.478 0.300 . 1 . . . . 83 ASN N . 10060 1 1017 . 1 1 83 83 ASN ND2 N 15 112.985 0.300 . 1 . . . . 83 ASN ND2 . 10060 1 1018 . 1 1 84 84 THR H H 1 8.816 0.030 . 1 . . . . 84 THR H . 10060 1 1019 . 1 1 84 84 THR HA H 1 3.438 0.030 . 1 . . . . 84 THR HA . 10060 1 1020 . 1 1 84 84 THR HB H 1 4.372 0.030 . 1 . . . . 84 THR HB . 10060 1 1021 . 1 1 84 84 THR HG21 H 1 1.190 0.030 . 1 . . . . 84 THR HG2 . 10060 1 1022 . 1 1 84 84 THR HG22 H 1 1.190 0.030 . 1 . . . . 84 THR HG2 . 10060 1 1023 . 1 1 84 84 THR HG23 H 1 1.190 0.030 . 1 . . . . 84 THR HG2 . 10060 1 1024 . 1 1 84 84 THR C C 13 176.097 0.300 . 1 . . . . 84 THR C . 10060 1 1025 . 1 1 84 84 THR CA C 13 65.805 0.300 . 1 . . . . 84 THR CA . 10060 1 1026 . 1 1 84 84 THR CB C 13 67.443 0.300 . 1 . . . . 84 THR CB . 10060 1 1027 . 1 1 84 84 THR CG2 C 13 23.044 0.300 . 1 . . . . 84 THR CG2 . 10060 1 1028 . 1 1 84 84 THR N N 15 117.681 0.300 . 1 . . . . 84 THR N . 10060 1 1029 . 1 1 85 85 SER H H 1 8.082 0.030 . 1 . . . . 85 SER H . 10060 1 1030 . 1 1 85 85 SER HA H 1 4.263 0.030 . 1 . . . . 85 SER HA . 10060 1 1031 . 1 1 85 85 SER HB2 H 1 3.963 0.030 . 1 . . . . 85 SER HB2 . 10060 1 1032 . 1 1 85 85 SER HB3 H 1 3.963 0.030 . 1 . . . . 85 SER HB3 . 10060 1 1033 . 1 1 85 85 SER C C 13 176.967 0.300 . 1 . . . . 85 SER C . 10060 1 1034 . 1 1 85 85 SER CA C 13 61.743 0.300 . 1 . . . . 85 SER CA . 10060 1 1035 . 1 1 85 85 SER CB C 13 62.426 0.300 . 1 . . . . 85 SER CB . 10060 1 1036 . 1 1 85 85 SER N N 15 118.293 0.300 . 1 . . . . 85 SER N . 10060 1 1037 . 1 1 86 86 LYS H H 1 7.508 0.030 . 1 . . . . 86 LYS H . 10060 1 1038 . 1 1 86 86 LYS HA H 1 3.946 0.030 . 1 . . . . 86 LYS HA . 10060 1 1039 . 1 1 86 86 LYS HB2 H 1 1.713 0.030 . 2 . . . . 86 LYS HB2 . 10060 1 1040 . 1 1 86 86 LYS HB3 H 1 1.560 0.030 . 2 . . . . 86 LYS HB3 . 10060 1 1041 . 1 1 86 86 LYS HG2 H 1 1.423 0.030 . 2 . . . . 86 LYS HG2 . 10060 1 1042 . 1 1 86 86 LYS HG3 H 1 1.276 0.030 . 2 . . . . 86 LYS HG3 . 10060 1 1043 . 1 1 86 86 LYS HD2 H 1 1.694 0.030 . 1 . . . . 86 LYS HD2 . 10060 1 1044 . 1 1 86 86 LYS HD3 H 1 1.694 0.030 . 1 . . . . 86 LYS HD3 . 10060 1 1045 . 1 1 86 86 LYS HE2 H 1 3.020 0.030 . 1 . . . . 86 LYS HE2 . 10060 1 1046 . 1 1 86 86 LYS HE3 H 1 3.020 0.030 . 1 . . . . 86 LYS HE3 . 10060 1 1047 . 1 1 86 86 LYS C C 13 178.521 0.300 . 1 . . . . 86 LYS C . 10060 1 1048 . 1 1 86 86 LYS CA C 13 59.099 0.300 . 1 . . . . 86 LYS CA . 10060 1 1049 . 1 1 86 86 LYS CB C 13 32.790 0.300 . 1 . . . . 86 LYS CB . 10060 1 1050 . 1 1 86 86 LYS CG C 13 25.312 0.300 . 1 . . . . 86 LYS CG . 10060 1 1051 . 1 1 86 86 LYS CD C 13 29.290 0.300 . 1 . . . . 86 LYS CD . 10060 1 1052 . 1 1 86 86 LYS CE C 13 42.111 0.300 . 1 . . . . 86 LYS CE . 10060 1 1053 . 1 1 86 86 LYS N N 15 122.597 0.300 . 1 . . . . 86 LYS N . 10060 1 1054 . 1 1 87 87 LEU H H 1 7.672 0.030 . 1 . . . . 87 LEU H . 10060 1 1055 . 1 1 87 87 LEU HA H 1 3.700 0.030 . 1 . . . . 87 LEU HA . 10060 1 1056 . 1 1 87 87 LEU HB2 H 1 1.619 0.030 . 2 . . . . 87 LEU HB2 . 10060 1 1057 . 1 1 87 87 LEU HB3 H 1 0.854 0.030 . 2 . . . . 87 LEU HB3 . 10060 1 1058 . 1 1 87 87 LEU HG H 1 1.103 0.030 . 1 . . . . 87 LEU HG . 10060 1 1059 . 1 1 87 87 LEU HD11 H 1 0.408 0.030 . 1 . . . . 87 LEU HD1 . 10060 1 1060 . 1 1 87 87 LEU HD12 H 1 0.408 0.030 . 1 . . . . 87 LEU HD1 . 10060 1 1061 . 1 1 87 87 LEU HD13 H 1 0.408 0.030 . 1 . . . . 87 LEU HD1 . 10060 1 1062 . 1 1 87 87 LEU HD21 H 1 0.034 0.030 . 1 . . . . 87 LEU HD2 . 10060 1 1063 . 1 1 87 87 LEU HD22 H 1 0.034 0.030 . 1 . . . . 87 LEU HD2 . 10060 1 1064 . 1 1 87 87 LEU HD23 H 1 0.034 0.030 . 1 . . . . 87 LEU HD2 . 10060 1 1065 . 1 1 87 87 LEU C C 13 177.145 0.300 . 1 . . . . 87 LEU C . 10060 1 1066 . 1 1 87 87 LEU CA C 13 58.324 0.300 . 1 . . . . 87 LEU CA . 10060 1 1067 . 1 1 87 87 LEU CB C 13 42.361 0.300 . 1 . . . . 87 LEU CB . 10060 1 1068 . 1 1 87 87 LEU CG C 13 26.571 0.300 . 1 . . . . 87 LEU CG . 10060 1 1069 . 1 1 87 87 LEU CD1 C 13 22.801 0.300 . 2 . . . . 87 LEU CD1 . 10060 1 1070 . 1 1 87 87 LEU CD2 C 13 25.542 0.300 . 2 . . . . 87 LEU CD2 . 10060 1 1071 . 1 1 87 87 LEU N N 15 118.406 0.300 . 1 . . . . 87 LEU N . 10060 1 1072 . 1 1 88 88 GLU H H 1 8.435 0.030 . 1 . . . . 88 GLU H . 10060 1 1073 . 1 1 88 88 GLU HA H 1 3.768 0.030 . 1 . . . . 88 GLU HA . 10060 1 1074 . 1 1 88 88 GLU HB2 H 1 2.221 0.030 . 2 . . . . 88 GLU HB2 . 10060 1 1075 . 1 1 88 88 GLU HB3 H 1 2.083 0.030 . 2 . . . . 88 GLU HB3 . 10060 1 1076 . 1 1 88 88 GLU HG2 H 1 2.477 0.030 . 2 . . . . 88 GLU HG2 . 10060 1 1077 . 1 1 88 88 GLU HG3 H 1 2.355 0.030 . 2 . . . . 88 GLU HG3 . 10060 1 1078 . 1 1 88 88 GLU C C 13 178.935 0.300 . 1 . . . . 88 GLU C . 10060 1 1079 . 1 1 88 88 GLU CA C 13 60.229 0.300 . 1 . . . . 88 GLU CA . 10060 1 1080 . 1 1 88 88 GLU CB C 13 29.677 0.300 . 1 . . . . 88 GLU CB . 10060 1 1081 . 1 1 88 88 GLU CG C 13 36.781 0.300 . 1 . . . . 88 GLU CG . 10060 1 1082 . 1 1 88 88 GLU N N 15 117.088 0.300 . 1 . . . . 88 GLU N . 10060 1 1083 . 1 1 89 89 LYS H H 1 7.893 0.030 . 1 . . . . 89 LYS H . 10060 1 1084 . 1 1 89 89 LYS HA H 1 3.943 0.030 . 1 . . . . 89 LYS HA . 10060 1 1085 . 1 1 89 89 LYS HB2 H 1 1.932 0.030 . 2 . . . . 89 LYS HB2 . 10060 1 1086 . 1 1 89 89 LYS HB3 H 1 1.884 0.030 . 2 . . . . 89 LYS HB3 . 10060 1 1087 . 1 1 89 89 LYS HG2 H 1 1.585 0.030 . 2 . . . . 89 LYS HG2 . 10060 1 1088 . 1 1 89 89 LYS HG3 H 1 1.406 0.030 . 2 . . . . 89 LYS HG3 . 10060 1 1089 . 1 1 89 89 LYS HD2 H 1 1.686 0.030 . 1 . . . . 89 LYS HD2 . 10060 1 1090 . 1 1 89 89 LYS HD3 H 1 1.686 0.030 . 1 . . . . 89 LYS HD3 . 10060 1 1091 . 1 1 89 89 LYS HE2 H 1 2.956 0.030 . 1 . . . . 89 LYS HE2 . 10060 1 1092 . 1 1 89 89 LYS HE3 H 1 2.956 0.030 . 1 . . . . 89 LYS HE3 . 10060 1 1093 . 1 1 89 89 LYS C C 13 179.561 0.300 . 1 . . . . 89 LYS C . 10060 1 1094 . 1 1 89 89 LYS CA C 13 59.833 0.300 . 1 . . . . 89 LYS CA . 10060 1 1095 . 1 1 89 89 LYS CB C 13 32.597 0.300 . 1 . . . . 89 LYS CB . 10060 1 1096 . 1 1 89 89 LYS CG C 13 25.435 0.300 . 1 . . . . 89 LYS CG . 10060 1 1097 . 1 1 89 89 LYS CD C 13 29.498 0.300 . 1 . . . . 89 LYS CD . 10060 1 1098 . 1 1 89 89 LYS CE C 13 42.138 0.300 . 1 . . . . 89 LYS CE . 10060 1 1099 . 1 1 89 89 LYS N N 15 117.865 0.300 . 1 . . . . 89 LYS N . 10060 1 1100 . 1 1 90 90 GLN H H 1 7.930 0.030 . 1 . . . . 90 GLN H . 10060 1 1101 . 1 1 90 90 GLN HA H 1 4.123 0.030 . 1 . . . . 90 GLN HA . 10060 1 1102 . 1 1 90 90 GLN HB2 H 1 1.935 0.030 . 1 . . . . 90 GLN HB2 . 10060 1 1103 . 1 1 90 90 GLN HB3 H 1 1.935 0.030 . 1 . . . . 90 GLN HB3 . 10060 1 1104 . 1 1 90 90 GLN HG2 H 1 2.482 0.030 . 2 . . . . 90 GLN HG2 . 10060 1 1105 . 1 1 90 90 GLN HG3 H 1 2.283 0.030 . 2 . . . . 90 GLN HG3 . 10060 1 1106 . 1 1 90 90 GLN HE21 H 1 7.298 0.030 . 2 . . . . 90 GLN HE21 . 10060 1 1107 . 1 1 90 90 GLN HE22 H 1 6.999 0.030 . 2 . . . . 90 GLN HE22 . 10060 1 1108 . 1 1 90 90 GLN C C 13 178.666 0.300 . 1 . . . . 90 GLN C . 10060 1 1109 . 1 1 90 90 GLN CA C 13 57.857 0.300 . 1 . . . . 90 GLN CA . 10060 1 1110 . 1 1 90 90 GLN CB C 13 27.739 0.300 . 1 . . . . 90 GLN CB . 10060 1 1111 . 1 1 90 90 GLN CG C 13 33.683 0.300 . 1 . . . . 90 GLN CG . 10060 1 1112 . 1 1 90 90 GLN N N 15 117.758 0.300 . 1 . . . . 90 GLN N . 10060 1 1113 . 1 1 90 90 GLN NE2 N 15 111.936 0.300 . 1 . . . . 90 GLN NE2 . 10060 1 1114 . 1 1 91 91 LEU H H 1 8.507 0.030 . 1 . . . . 91 LEU H . 10060 1 1115 . 1 1 91 91 LEU HA H 1 4.059 0.030 . 1 . . . . 91 LEU HA . 10060 1 1116 . 1 1 91 91 LEU HB2 H 1 1.972 0.030 . 2 . . . . 91 LEU HB2 . 10060 1 1117 . 1 1 91 91 LEU HB3 H 1 1.535 0.030 . 2 . . . . 91 LEU HB3 . 10060 1 1118 . 1 1 91 91 LEU HG H 1 1.868 0.030 . 1 . . . . 91 LEU HG . 10060 1 1119 . 1 1 91 91 LEU HD11 H 1 0.855 0.030 . 1 . . . . 91 LEU HD1 . 10060 1 1120 . 1 1 91 91 LEU HD12 H 1 0.855 0.030 . 1 . . . . 91 LEU HD1 . 10060 1 1121 . 1 1 91 91 LEU HD13 H 1 0.855 0.030 . 1 . . . . 91 LEU HD1 . 10060 1 1122 . 1 1 91 91 LEU HD21 H 1 0.935 0.030 . 1 . . . . 91 LEU HD2 . 10060 1 1123 . 1 1 91 91 LEU HD22 H 1 0.935 0.030 . 1 . . . . 91 LEU HD2 . 10060 1 1124 . 1 1 91 91 LEU HD23 H 1 0.935 0.030 . 1 . . . . 91 LEU HD2 . 10060 1 1125 . 1 1 91 91 LEU C C 13 180.104 0.300 . 1 . . . . 91 LEU C . 10060 1 1126 . 1 1 91 91 LEU CA C 13 58.018 0.300 . 1 . . . . 91 LEU CA . 10060 1 1127 . 1 1 91 91 LEU CB C 13 41.476 0.300 . 1 . . . . 91 LEU CB . 10060 1 1128 . 1 1 91 91 LEU CG C 13 26.533 0.300 . 1 . . . . 91 LEU CG . 10060 1 1129 . 1 1 91 91 LEU CD1 C 13 25.750 0.300 . 2 . . . . 91 LEU CD1 . 10060 1 1130 . 1 1 91 91 LEU CD2 C 13 22.868 0.300 . 2 . . . . 91 LEU CD2 . 10060 1 1131 . 1 1 91 91 LEU N N 15 118.945 0.300 . 1 . . . . 91 LEU N . 10060 1 1132 . 1 1 92 92 ARG H H 1 8.014 0.030 . 1 . . . . 92 ARG H . 10060 1 1133 . 1 1 92 92 ARG HA H 1 4.114 0.030 . 1 . . . . 92 ARG HA . 10060 1 1134 . 1 1 92 92 ARG HB2 H 1 1.921 0.030 . 1 . . . . 92 ARG HB2 . 10060 1 1135 . 1 1 92 92 ARG HB3 H 1 1.921 0.030 . 1 . . . . 92 ARG HB3 . 10060 1 1136 . 1 1 92 92 ARG HG2 H 1 1.828 0.030 . 2 . . . . 92 ARG HG2 . 10060 1 1137 . 1 1 92 92 ARG HG3 H 1 1.655 0.030 . 2 . . . . 92 ARG HG3 . 10060 1 1138 . 1 1 92 92 ARG HD2 H 1 3.197 0.030 . 1 . . . . 92 ARG HD2 . 10060 1 1139 . 1 1 92 92 ARG HD3 H 1 3.197 0.030 . 1 . . . . 92 ARG HD3 . 10060 1 1140 . 1 1 92 92 ARG C C 13 178.921 0.300 . 1 . . . . 92 ARG C . 10060 1 1141 . 1 1 92 92 ARG CA C 13 58.952 0.300 . 1 . . . . 92 ARG CA . 10060 1 1142 . 1 1 92 92 ARG CB C 13 29.930 0.300 . 1 . . . . 92 ARG CB . 10060 1 1143 . 1 1 92 92 ARG CG C 13 27.720 0.300 . 1 . . . . 92 ARG CG . 10060 1 1144 . 1 1 92 92 ARG CD C 13 43.310 0.300 . 1 . . . . 92 ARG CD . 10060 1 1145 . 1 1 92 92 ARG N N 15 118.877 0.300 . 1 . . . . 92 ARG N . 10060 1 1146 . 1 1 93 93 LYS H H 1 7.665 0.030 . 1 . . . . 93 LYS H . 10060 1 1147 . 1 1 93 93 LYS HA H 1 4.105 0.030 . 1 . . . . 93 LYS HA . 10060 1 1148 . 1 1 93 93 LYS HB2 H 1 1.926 0.030 . 1 . . . . 93 LYS HB2 . 10060 1 1149 . 1 1 93 93 LYS HB3 H 1 1.926 0.030 . 1 . . . . 93 LYS HB3 . 10060 1 1150 . 1 1 93 93 LYS HG2 H 1 1.562 0.030 . 2 . . . . 93 LYS HG2 . 10060 1 1151 . 1 1 93 93 LYS HG3 H 1 1.445 0.030 . 2 . . . . 93 LYS HG3 . 10060 1 1152 . 1 1 93 93 LYS HD2 H 1 1.653 0.030 . 1 . . . . 93 LYS HD2 . 10060 1 1153 . 1 1 93 93 LYS HD3 H 1 1.653 0.030 . 1 . . . . 93 LYS HD3 . 10060 1 1154 . 1 1 93 93 LYS HE2 H 1 2.964 0.030 . 2 . . . . 93 LYS HE2 . 10060 1 1155 . 1 1 93 93 LYS C C 13 178.327 0.300 . 1 . . . . 93 LYS C . 10060 1 1156 . 1 1 93 93 LYS CA C 13 58.684 0.300 . 1 . . . . 93 LYS CA . 10060 1 1157 . 1 1 93 93 LYS CB C 13 32.458 0.300 . 1 . . . . 93 LYS CB . 10060 1 1158 . 1 1 93 93 LYS CG C 13 24.983 0.300 . 1 . . . . 93 LYS CG . 10060 1 1159 . 1 1 93 93 LYS CD C 13 29.330 0.300 . 1 . . . . 93 LYS CD . 10060 1 1160 . 1 1 93 93 LYS CE C 13 42.055 0.300 . 1 . . . . 93 LYS CE . 10060 1 1161 . 1 1 93 93 LYS N N 15 119.858 0.300 . 1 . . . . 93 LYS N . 10060 1 1162 . 1 1 94 94 LEU H H 1 7.702 0.030 . 1 . . . . 94 LEU H . 10060 1 1163 . 1 1 94 94 LEU HA H 1 4.313 0.030 . 1 . . . . 94 LEU HA . 10060 1 1164 . 1 1 94 94 LEU HB2 H 1 1.845 0.030 . 2 . . . . 94 LEU HB2 . 10060 1 1165 . 1 1 94 94 LEU HB3 H 1 1.624 0.030 . 2 . . . . 94 LEU HB3 . 10060 1 1166 . 1 1 94 94 LEU HG H 1 1.901 0.030 . 1 . . . . 94 LEU HG . 10060 1 1167 . 1 1 94 94 LEU HD11 H 1 0.914 0.030 . 1 . . . . 94 LEU HD1 . 10060 1 1168 . 1 1 94 94 LEU HD12 H 1 0.914 0.030 . 1 . . . . 94 LEU HD1 . 10060 1 1169 . 1 1 94 94 LEU HD13 H 1 0.914 0.030 . 1 . . . . 94 LEU HD1 . 10060 1 1170 . 1 1 94 94 LEU HD21 H 1 0.903 0.030 . 1 . . . . 94 LEU HD2 . 10060 1 1171 . 1 1 94 94 LEU HD22 H 1 0.903 0.030 . 1 . . . . 94 LEU HD2 . 10060 1 1172 . 1 1 94 94 LEU HD23 H 1 0.903 0.030 . 1 . . . . 94 LEU HD2 . 10060 1 1173 . 1 1 94 94 LEU C C 13 177.927 0.300 . 1 . . . . 94 LEU C . 10060 1 1174 . 1 1 94 94 LEU CA C 13 56.024 0.300 . 1 . . . . 94 LEU CA . 10060 1 1175 . 1 1 94 94 LEU CB C 13 42.388 0.300 . 1 . . . . 94 LEU CB . 10060 1 1176 . 1 1 94 94 LEU CG C 13 26.819 0.300 . 1 . . . . 94 LEU CG . 10060 1 1177 . 1 1 94 94 LEU CD1 C 13 26.066 0.300 . 2 . . . . 94 LEU CD1 . 10060 1 1178 . 1 1 94 94 LEU CD2 C 13 22.518 0.300 . 2 . . . . 94 LEU CD2 . 10060 1 1179 . 1 1 94 94 LEU N N 15 117.591 0.300 . 1 . . . . 94 LEU N . 10060 1 1180 . 1 1 95 95 SER H H 1 7.848 0.030 . 1 . . . . 95 SER H . 10060 1 1181 . 1 1 95 95 SER HA H 1 4.560 0.030 . 1 . . . . 95 SER HA . 10060 1 1182 . 1 1 95 95 SER HB2 H 1 3.982 0.030 . 1 . . . . 95 SER HB2 . 10060 1 1183 . 1 1 95 95 SER HB3 H 1 3.982 0.030 . 1 . . . . 95 SER HB3 . 10060 1 1184 . 1 1 95 95 SER C C 13 174.576 0.300 . 1 . . . . 95 SER C . 10060 1 1185 . 1 1 95 95 SER CA C 13 59.079 0.300 . 1 . . . . 95 SER CA . 10060 1 1186 . 1 1 95 95 SER CB C 13 64.021 0.300 . 1 . . . . 95 SER CB . 10060 1 1187 . 1 1 95 95 SER N N 15 114.066 0.300 . 1 . . . . 95 SER N . 10060 1 1188 . 1 1 96 96 GLY H H 1 7.927 0.030 . 1 . . . . 96 GLY H . 10060 1 1189 . 1 1 96 96 GLY HA2 H 1 4.204 0.030 . 2 . . . . 96 GLY HA2 . 10060 1 1190 . 1 1 96 96 GLY HA3 H 1 4.142 0.030 . 2 . . . . 96 GLY HA3 . 10060 1 1191 . 1 1 96 96 GLY C C 13 171.721 0.300 . 1 . . . . 96 GLY C . 10060 1 1192 . 1 1 96 96 GLY CA C 13 44.878 0.300 . 1 . . . . 96 GLY CA . 10060 1 1193 . 1 1 96 96 GLY N N 15 109.987 0.300 . 1 . . . . 96 GLY N . 10060 1 1194 . 1 1 97 97 PRO HA H 1 4.492 0.030 . 1 . . . . 97 PRO HA . 10060 1 1195 . 1 1 97 97 PRO HB2 H 1 2.297 0.030 . 2 . . . . 97 PRO HB2 . 10060 1 1196 . 1 1 97 97 PRO HB3 H 1 1.995 0.030 . 2 . . . . 97 PRO HB3 . 10060 1 1197 . 1 1 97 97 PRO HG2 H 1 2.025 0.030 . 1 . . . . 97 PRO HG2 . 10060 1 1198 . 1 1 97 97 PRO HG3 H 1 2.025 0.030 . 1 . . . . 97 PRO HG3 . 10060 1 1199 . 1 1 97 97 PRO HD2 H 1 3.649 0.030 . 1 . . . . 97 PRO HD2 . 10060 1 1200 . 1 1 97 97 PRO HD3 H 1 3.649 0.030 . 1 . . . . 97 PRO HD3 . 10060 1 1201 . 1 1 97 97 PRO C C 13 177.422 0.300 . 1 . . . . 97 PRO C . 10060 1 1202 . 1 1 97 97 PRO CA C 13 63.321 0.300 . 1 . . . . 97 PRO CA . 10060 1 1203 . 1 1 97 97 PRO CB C 13 32.300 0.300 . 1 . . . . 97 PRO CB . 10060 1 1204 . 1 1 97 97 PRO CG C 13 27.133 0.300 . 1 . . . . 97 PRO CG . 10060 1 1205 . 1 1 97 97 PRO CD C 13 49.665 0.300 . 1 . . . . 97 PRO CD . 10060 1 1206 . 1 1 98 98 SER H H 1 8.528 0.030 . 1 . . . . 98 SER H . 10060 1 1207 . 1 1 98 98 SER HA H 1 4.508 0.030 . 1 . . . . 98 SER HA . 10060 1 1208 . 1 1 98 98 SER HB2 H 1 3.898 0.030 . 1 . . . . 98 SER HB2 . 10060 1 1209 . 1 1 98 98 SER HB3 H 1 3.898 0.030 . 1 . . . . 98 SER HB3 . 10060 1 1210 . 1 1 98 98 SER C C 13 174.684 0.300 . 1 . . . . 98 SER C . 10060 1 1211 . 1 1 98 98 SER CA C 13 58.419 0.300 . 1 . . . . 98 SER CA . 10060 1 1212 . 1 1 98 98 SER CB C 13 63.870 0.300 . 1 . . . . 98 SER CB . 10060 1 1213 . 1 1 98 98 SER N N 15 116.405 0.300 . 1 . . . . 98 SER N . 10060 1 1214 . 1 1 99 99 SER H H 1 8.310 0.030 . 1 . . . . 99 SER H . 10060 1 1215 . 1 1 99 99 SER HA H 1 4.482 0.030 . 1 . . . . 99 SER HA . 10060 1 1216 . 1 1 99 99 SER HB2 H 1 3.885 0.030 . 1 . . . . 99 SER HB2 . 10060 1 1217 . 1 1 99 99 SER HB3 H 1 3.885 0.030 . 1 . . . . 99 SER HB3 . 10060 1 1218 . 1 1 99 99 SER C C 13 173.931 0.300 . 1 . . . . 99 SER C . 10060 1 1219 . 1 1 99 99 SER CA C 13 58.419 0.300 . 1 . . . . 99 SER CA . 10060 1 1220 . 1 1 99 99 SER CB C 13 63.870 0.300 . 1 . . . . 99 SER CB . 10060 1 1221 . 1 1 99 99 SER N N 15 117.706 0.300 . 1 . . . . 99 SER N . 10060 1 1222 . 1 1 100 100 GLY H H 1 8.041 0.030 . 1 . . . . 100 GLY H . 10060 1 1223 . 1 1 100 100 GLY HA2 H 1 3.798 0.030 . 2 . . . . 100 GLY HA2 . 10060 1 1224 . 1 1 100 100 GLY HA3 H 1 3.751 0.030 . 2 . . . . 100 GLY HA3 . 10060 1 1225 . 1 1 100 100 GLY C C 13 179.007 0.300 . 1 . . . . 100 GLY C . 10060 1 1226 . 1 1 100 100 GLY CA C 13 46.182 0.300 . 1 . . . . 100 GLY CA . 10060 1 1227 . 1 1 100 100 GLY N N 15 116.807 0.300 . 1 . . . . 100 GLY N . 10060 1 stop_ save_