data_10274 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10274 _Entry.Title ; Solution structures of the fn3 domain of human collagen alpha-1(XX) chain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-15 _Entry.Accession_date 2008-12-15 _Entry.Last_release_date 2009-12-14 _Entry.Original_release_date 2009-12-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 M. Sato . . . 10274 2 S. Koshiba . . . 10274 3 M. Inoue . . . 10274 4 T. Kigawa . . . 10274 5 S. Yokoyama . . . 10274 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10274 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10274 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 401 10274 '15N chemical shifts' 93 10274 '1H chemical shifts' 634 10274 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-12-14 2008-12-15 original author . 10274 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2EKJ 'BMRB Entry Tracking System' 10274 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10274 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structures of the fn3 domain of human collagen alpha-1(XX) chain' _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 . . . 10274 1 2 S. Koshiba . . . 10274 1 3 M. Inoue . . . 10274 1 4 T. Kigawa . . . 10274 1 5 S. Yokoyama . . . 10274 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10274 _Assembly.ID 1 _Assembly.Name 'Collagen alpha-1(XX) chain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Fibronectin type III domain' 1 $entity_1 . . yes native no no . . . 10274 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 2EKJ . . . . . . 10274 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10274 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Fibronectin type III domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGRSPPSNLALASET PDSLQVSWTPPLGRVLHYWL TYAPASGLGPEKSVSVPGAR SHVTLPDLQAATKYRVLVSA IYAAGRSEAVSATGQTACPS GPSSG ; _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 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 2EKJ . "Solution Structures Of The Fn3 Domain Of Human Collagen Alpha-1(Xx) Chain" . . . . . 100.00 105 100.00 100.00 5.32e-65 . . . . 10274 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Fibronectin type III domain' . 10274 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 . 10274 1 2 . SER . 10274 1 3 . SER . 10274 1 4 . GLY . 10274 1 5 . SER . 10274 1 6 . SER . 10274 1 7 . GLY . 10274 1 8 . ARG . 10274 1 9 . SER . 10274 1 10 . PRO . 10274 1 11 . PRO . 10274 1 12 . SER . 10274 1 13 . ASN . 10274 1 14 . LEU . 10274 1 15 . ALA . 10274 1 16 . LEU . 10274 1 17 . ALA . 10274 1 18 . SER . 10274 1 19 . GLU . 10274 1 20 . THR . 10274 1 21 . PRO . 10274 1 22 . ASP . 10274 1 23 . SER . 10274 1 24 . LEU . 10274 1 25 . GLN . 10274 1 26 . VAL . 10274 1 27 . SER . 10274 1 28 . TRP . 10274 1 29 . THR . 10274 1 30 . PRO . 10274 1 31 . PRO . 10274 1 32 . LEU . 10274 1 33 . GLY . 10274 1 34 . ARG . 10274 1 35 . VAL . 10274 1 36 . LEU . 10274 1 37 . HIS . 10274 1 38 . TYR . 10274 1 39 . TRP . 10274 1 40 . LEU . 10274 1 41 . THR . 10274 1 42 . TYR . 10274 1 43 . ALA . 10274 1 44 . PRO . 10274 1 45 . ALA . 10274 1 46 . SER . 10274 1 47 . GLY . 10274 1 48 . LEU . 10274 1 49 . GLY . 10274 1 50 . PRO . 10274 1 51 . GLU . 10274 1 52 . LYS . 10274 1 53 . SER . 10274 1 54 . VAL . 10274 1 55 . SER . 10274 1 56 . VAL . 10274 1 57 . PRO . 10274 1 58 . GLY . 10274 1 59 . ALA . 10274 1 60 . ARG . 10274 1 61 . SER . 10274 1 62 . HIS . 10274 1 63 . VAL . 10274 1 64 . THR . 10274 1 65 . LEU . 10274 1 66 . PRO . 10274 1 67 . ASP . 10274 1 68 . LEU . 10274 1 69 . GLN . 10274 1 70 . ALA . 10274 1 71 . ALA . 10274 1 72 . THR . 10274 1 73 . LYS . 10274 1 74 . TYR . 10274 1 75 . ARG . 10274 1 76 . VAL . 10274 1 77 . LEU . 10274 1 78 . VAL . 10274 1 79 . SER . 10274 1 80 . ALA . 10274 1 81 . ILE . 10274 1 82 . TYR . 10274 1 83 . ALA . 10274 1 84 . ALA . 10274 1 85 . GLY . 10274 1 86 . ARG . 10274 1 87 . SER . 10274 1 88 . GLU . 10274 1 89 . ALA . 10274 1 90 . VAL . 10274 1 91 . SER . 10274 1 92 . ALA . 10274 1 93 . THR . 10274 1 94 . GLY . 10274 1 95 . GLN . 10274 1 96 . THR . 10274 1 97 . ALA . 10274 1 98 . CYS . 10274 1 99 . PRO . 10274 1 100 . SER . 10274 1 101 . GLY . 10274 1 102 . PRO . 10274 1 103 . SER . 10274 1 104 . SER . 10274 1 105 . GLY . 10274 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 10274 1 . SER 2 2 10274 1 . SER 3 3 10274 1 . GLY 4 4 10274 1 . SER 5 5 10274 1 . SER 6 6 10274 1 . GLY 7 7 10274 1 . ARG 8 8 10274 1 . SER 9 9 10274 1 . PRO 10 10 10274 1 . PRO 11 11 10274 1 . SER 12 12 10274 1 . ASN 13 13 10274 1 . LEU 14 14 10274 1 . ALA 15 15 10274 1 . LEU 16 16 10274 1 . ALA 17 17 10274 1 . SER 18 18 10274 1 . GLU 19 19 10274 1 . THR 20 20 10274 1 . PRO 21 21 10274 1 . ASP 22 22 10274 1 . SER 23 23 10274 1 . LEU 24 24 10274 1 . GLN 25 25 10274 1 . VAL 26 26 10274 1 . SER 27 27 10274 1 . TRP 28 28 10274 1 . THR 29 29 10274 1 . PRO 30 30 10274 1 . PRO 31 31 10274 1 . LEU 32 32 10274 1 . GLY 33 33 10274 1 . ARG 34 34 10274 1 . VAL 35 35 10274 1 . LEU 36 36 10274 1 . HIS 37 37 10274 1 . TYR 38 38 10274 1 . TRP 39 39 10274 1 . LEU 40 40 10274 1 . THR 41 41 10274 1 . TYR 42 42 10274 1 . ALA 43 43 10274 1 . PRO 44 44 10274 1 . ALA 45 45 10274 1 . SER 46 46 10274 1 . GLY 47 47 10274 1 . LEU 48 48 10274 1 . GLY 49 49 10274 1 . PRO 50 50 10274 1 . GLU 51 51 10274 1 . LYS 52 52 10274 1 . SER 53 53 10274 1 . VAL 54 54 10274 1 . SER 55 55 10274 1 . VAL 56 56 10274 1 . PRO 57 57 10274 1 . GLY 58 58 10274 1 . ALA 59 59 10274 1 . ARG 60 60 10274 1 . SER 61 61 10274 1 . HIS 62 62 10274 1 . VAL 63 63 10274 1 . THR 64 64 10274 1 . LEU 65 65 10274 1 . PRO 66 66 10274 1 . ASP 67 67 10274 1 . LEU 68 68 10274 1 . GLN 69 69 10274 1 . ALA 70 70 10274 1 . ALA 71 71 10274 1 . THR 72 72 10274 1 . LYS 73 73 10274 1 . TYR 74 74 10274 1 . ARG 75 75 10274 1 . VAL 76 76 10274 1 . LEU 77 77 10274 1 . VAL 78 78 10274 1 . SER 79 79 10274 1 . ALA 80 80 10274 1 . ILE 81 81 10274 1 . TYR 82 82 10274 1 . ALA 83 83 10274 1 . ALA 84 84 10274 1 . GLY 85 85 10274 1 . ARG 86 86 10274 1 . SER 87 87 10274 1 . GLU 88 88 10274 1 . ALA 89 89 10274 1 . VAL 90 90 10274 1 . SER 91 91 10274 1 . ALA 92 92 10274 1 . THR 93 93 10274 1 . GLY 94 94 10274 1 . GLN 95 95 10274 1 . THR 96 96 10274 1 . ALA 97 97 10274 1 . CYS 98 98 10274 1 . PRO 99 99 10274 1 . SER 100 100 10274 1 . GLY 101 101 10274 1 . PRO 102 102 10274 1 . SER 103 103 10274 1 . SER 104 104 10274 1 . GLY 105 105 10274 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 10274 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10274 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 10274 _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 . . P051017-12 . . . . . . 10274 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10274 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'fn3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1 . . mM . . . . 10274 1 2 'd-Tris HCl' . . . . . . buffer 20 . . mM . . . . 10274 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10274 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10274 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10274 1 6 H2O . . . . . . solvent 90 . . % . . . . 10274 1 7 D2O . . . . . . solvent 10 . . % . . . . 10274 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 10274 _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 10274 1 pH 7.0 0.05 pH 10274 1 pressure 1 0.001 atm 10274 1 temperature 296 0.1 K 10274 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10274 _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 . . 10274 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10274 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10274 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10274 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10274 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10274 _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.' . . 10274 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10274 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10274 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9827 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10274 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10274 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10274 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10274 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10274 5 'structure solution' 10274 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 10274 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10274 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 10274 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 10274 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10274 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10274 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10274 _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 . . . . . . . . . 10274 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10274 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10274 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 10274 _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 10274 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10274 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 N N 15 119.122 0.300 . 1 . . . . 5 SER N . 10274 1 2 . 1 1 6 6 SER N N 15 123.945 0.300 . 1 . . . . 6 SER N . 10274 1 3 . 1 1 7 7 GLY HA2 H 1 3.813 0.030 . 1 . . . . 7 GLY HA2 . 10274 1 4 . 1 1 7 7 GLY HA3 H 1 3.813 0.030 . 1 . . . . 7 GLY HA3 . 10274 1 5 . 1 1 7 7 GLY CA C 13 45.375 0.300 . 1 . . . . 7 GLY CA . 10274 1 6 . 1 1 8 8 ARG H H 1 7.999 0.030 . 1 . . . . 8 ARG H . 10274 1 7 . 1 1 8 8 ARG HA H 1 3.712 0.030 . 1 . . . . 8 ARG HA . 10274 1 8 . 1 1 8 8 ARG HB2 H 1 1.490 0.030 . 2 . . . . 8 ARG HB2 . 10274 1 9 . 1 1 8 8 ARG HB3 H 1 1.295 0.030 . 2 . . . . 8 ARG HB3 . 10274 1 10 . 1 1 8 8 ARG HD2 H 1 2.849 0.030 . 2 . . . . 8 ARG HD2 . 10274 1 11 . 1 1 8 8 ARG HD3 H 1 2.675 0.030 . 2 . . . . 8 ARG HD3 . 10274 1 12 . 1 1 8 8 ARG HG2 H 1 1.199 0.030 . 2 . . . . 8 ARG HG2 . 10274 1 13 . 1 1 8 8 ARG HG3 H 1 0.957 0.030 . 2 . . . . 8 ARG HG3 . 10274 1 14 . 1 1 8 8 ARG CA C 13 54.185 0.300 . 1 . . . . 8 ARG CA . 10274 1 15 . 1 1 8 8 ARG CB C 13 29.555 0.300 . 1 . . . . 8 ARG CB . 10274 1 16 . 1 1 8 8 ARG CD C 13 43.373 0.300 . 1 . . . . 8 ARG CD . 10274 1 17 . 1 1 8 8 ARG CG C 13 26.891 0.300 . 1 . . . . 8 ARG CG . 10274 1 18 . 1 1 8 8 ARG N N 15 121.209 0.300 . 1 . . . . 8 ARG N . 10274 1 19 . 1 1 9 9 SER H H 1 7.810 0.030 . 1 . . . . 9 SER H . 10274 1 20 . 1 1 9 9 SER HA H 1 4.725 0.030 . 1 . . . . 9 SER HA . 10274 1 21 . 1 1 9 9 SER HB2 H 1 4.046 0.030 . 2 . . . . 9 SER HB2 . 10274 1 22 . 1 1 9 9 SER HB3 H 1 3.831 0.030 . 2 . . . . 9 SER HB3 . 10274 1 23 . 1 1 9 9 SER CA C 13 58.455 0.300 . 1 . . . . 9 SER CA . 10274 1 24 . 1 1 9 9 SER CB C 13 62.966 0.300 . 1 . . . . 9 SER CB . 10274 1 25 . 1 1 9 9 SER N N 15 118.072 0.300 . 1 . . . . 9 SER N . 10274 1 26 . 1 1 10 10 PRO HA H 1 5.182 0.030 . 1 . . . . 10 PRO HA . 10274 1 27 . 1 1 10 10 PRO HB2 H 1 2.599 0.030 . 2 . . . . 10 PRO HB2 . 10274 1 28 . 1 1 10 10 PRO HB3 H 1 2.273 0.030 . 2 . . . . 10 PRO HB3 . 10274 1 29 . 1 1 10 10 PRO HD2 H 1 4.079 0.030 . 2 . . . . 10 PRO HD2 . 10274 1 30 . 1 1 10 10 PRO HD3 H 1 3.820 0.030 . 2 . . . . 10 PRO HD3 . 10274 1 31 . 1 1 10 10 PRO HG2 H 1 2.163 0.030 . 2 . . . . 10 PRO HG2 . 10274 1 32 . 1 1 10 10 PRO HG3 H 1 2.033 0.030 . 2 . . . . 10 PRO HG3 . 10274 1 33 . 1 1 10 10 PRO CA C 13 61.759 0.300 . 1 . . . . 10 PRO CA . 10274 1 34 . 1 1 10 10 PRO CB C 13 30.280 0.300 . 1 . . . . 10 PRO CB . 10274 1 35 . 1 1 10 10 PRO CD C 13 50.654 0.300 . 1 . . . . 10 PRO CD . 10274 1 36 . 1 1 10 10 PRO CG C 13 26.368 0.300 . 1 . . . . 10 PRO CG . 10274 1 37 . 1 1 11 11 PRO HA H 1 4.567 0.030 . 1 . . . . 11 PRO HA . 10274 1 38 . 1 1 11 11 PRO HB2 H 1 2.088 0.030 . 2 . . . . 11 PRO HB2 . 10274 1 39 . 1 1 11 11 PRO HB3 H 1 1.732 0.030 . 2 . . . . 11 PRO HB3 . 10274 1 40 . 1 1 11 11 PRO HD2 H 1 3.584 0.030 . 2 . . . . 11 PRO HD2 . 10274 1 41 . 1 1 11 11 PRO HD3 H 1 3.532 0.030 . 2 . . . . 11 PRO HD3 . 10274 1 42 . 1 1 11 11 PRO HG2 H 1 1.455 0.030 . 2 . . . . 11 PRO HG2 . 10274 1 43 . 1 1 11 11 PRO HG3 H 1 1.306 0.030 . 2 . . . . 11 PRO HG3 . 10274 1 44 . 1 1 11 11 PRO C C 13 173.556 0.300 . 1 . . . . 11 PRO C . 10274 1 45 . 1 1 11 11 PRO CA C 13 62.674 0.300 . 1 . . . . 11 PRO CA . 10274 1 46 . 1 1 11 11 PRO CB C 13 33.026 0.300 . 1 . . . . 11 PRO CB . 10274 1 47 . 1 1 11 11 PRO CD C 13 48.977 0.300 . 1 . . . . 11 PRO CD . 10274 1 48 . 1 1 11 11 PRO CG C 13 26.723 0.300 . 1 . . . . 11 PRO CG . 10274 1 49 . 1 1 12 12 SER H H 1 8.427 0.030 . 1 . . . . 12 SER H . 10274 1 50 . 1 1 12 12 SER HA H 1 4.890 0.030 . 1 . . . . 12 SER HA . 10274 1 51 . 1 1 12 12 SER HB2 H 1 3.986 0.030 . 2 . . . . 12 SER HB2 . 10274 1 52 . 1 1 12 12 SER HB3 H 1 3.786 0.030 . 2 . . . . 12 SER HB3 . 10274 1 53 . 1 1 12 12 SER C C 13 173.115 0.300 . 1 . . . . 12 SER C . 10274 1 54 . 1 1 12 12 SER CA C 13 56.556 0.300 . 1 . . . . 12 SER CA . 10274 1 55 . 1 1 12 12 SER CB C 13 66.882 0.300 . 1 . . . . 12 SER CB . 10274 1 56 . 1 1 12 12 SER N N 15 111.345 0.300 . 1 . . . . 12 SER N . 10274 1 57 . 1 1 13 13 ASN H H 1 8.973 0.030 . 1 . . . . 13 ASN H . 10274 1 58 . 1 1 13 13 ASN HA H 1 4.318 0.030 . 1 . . . . 13 ASN HA . 10274 1 59 . 1 1 13 13 ASN HB2 H 1 2.978 0.030 . 2 . . . . 13 ASN HB2 . 10274 1 60 . 1 1 13 13 ASN HB3 H 1 2.826 0.030 . 2 . . . . 13 ASN HB3 . 10274 1 61 . 1 1 13 13 ASN HD21 H 1 7.509 0.030 . 2 . . . . 13 ASN HD21 . 10274 1 62 . 1 1 13 13 ASN HD22 H 1 6.803 0.030 . 2 . . . . 13 ASN HD22 . 10274 1 63 . 1 1 13 13 ASN C C 13 173.850 0.300 . 1 . . . . 13 ASN C . 10274 1 64 . 1 1 13 13 ASN CA C 13 53.928 0.300 . 1 . . . . 13 ASN CA . 10274 1 65 . 1 1 13 13 ASN CB C 13 37.365 0.300 . 1 . . . . 13 ASN CB . 10274 1 66 . 1 1 13 13 ASN N N 15 115.970 0.300 . 1 . . . . 13 ASN N . 10274 1 67 . 1 1 13 13 ASN ND2 N 15 112.921 0.300 . 1 . . . . 13 ASN ND2 . 10274 1 68 . 1 1 14 14 LEU H H 1 8.223 0.030 . 1 . . . . 14 LEU H . 10274 1 69 . 1 1 14 14 LEU HA H 1 4.857 0.030 . 1 . . . . 14 LEU HA . 10274 1 70 . 1 1 14 14 LEU HB2 H 1 1.672 0.030 . 2 . . . . 14 LEU HB2 . 10274 1 71 . 1 1 14 14 LEU HB3 H 1 1.155 0.030 . 2 . . . . 14 LEU HB3 . 10274 1 72 . 1 1 14 14 LEU HD11 H 1 0.695 0.030 . 1 . . . . 14 LEU HD1 . 10274 1 73 . 1 1 14 14 LEU HD12 H 1 0.695 0.030 . 1 . . . . 14 LEU HD1 . 10274 1 74 . 1 1 14 14 LEU HD13 H 1 0.695 0.030 . 1 . . . . 14 LEU HD1 . 10274 1 75 . 1 1 14 14 LEU HD21 H 1 0.905 0.030 . 1 . . . . 14 LEU HD2 . 10274 1 76 . 1 1 14 14 LEU HD22 H 1 0.905 0.030 . 1 . . . . 14 LEU HD2 . 10274 1 77 . 1 1 14 14 LEU HD23 H 1 0.905 0.030 . 1 . . . . 14 LEU HD2 . 10274 1 78 . 1 1 14 14 LEU HG H 1 1.374 0.030 . 1 . . . . 14 LEU HG . 10274 1 79 . 1 1 14 14 LEU C C 13 176.725 0.300 . 1 . . . . 14 LEU C . 10274 1 80 . 1 1 14 14 LEU CA C 13 56.115 0.300 . 1 . . . . 14 LEU CA . 10274 1 81 . 1 1 14 14 LEU CB C 13 42.621 0.300 . 1 . . . . 14 LEU CB . 10274 1 82 . 1 1 14 14 LEU CD1 C 13 26.838 0.300 . 2 . . . . 14 LEU CD1 . 10274 1 83 . 1 1 14 14 LEU CD2 C 13 24.993 0.300 . 2 . . . . 14 LEU CD2 . 10274 1 84 . 1 1 14 14 LEU CG C 13 27.256 0.300 . 1 . . . . 14 LEU CG . 10274 1 85 . 1 1 14 14 LEU N N 15 119.681 0.300 . 1 . . . . 14 LEU N . 10274 1 86 . 1 1 15 15 ALA H H 1 9.364 0.030 . 1 . . . . 15 ALA H . 10274 1 87 . 1 1 15 15 ALA HA H 1 4.736 0.030 . 1 . . . . 15 ALA HA . 10274 1 88 . 1 1 15 15 ALA HB1 H 1 1.281 0.030 . 1 . . . . 15 ALA HB . 10274 1 89 . 1 1 15 15 ALA HB2 H 1 1.281 0.030 . 1 . . . . 15 ALA HB . 10274 1 90 . 1 1 15 15 ALA HB3 H 1 1.281 0.030 . 1 . . . . 15 ALA HB . 10274 1 91 . 1 1 15 15 ALA C C 13 175.056 0.300 . 1 . . . . 15 ALA C . 10274 1 92 . 1 1 15 15 ALA CA C 13 51.496 0.300 . 1 . . . . 15 ALA CA . 10274 1 93 . 1 1 15 15 ALA CB C 13 22.285 0.300 . 1 . . . . 15 ALA CB . 10274 1 94 . 1 1 15 15 ALA N N 15 130.359 0.300 . 1 . . . . 15 ALA N . 10274 1 95 . 1 1 16 16 LEU H H 1 8.448 0.030 . 1 . . . . 16 LEU H . 10274 1 96 . 1 1 16 16 LEU HA H 1 5.385 0.030 . 1 . . . . 16 LEU HA . 10274 1 97 . 1 1 16 16 LEU HB2 H 1 1.690 0.030 . 2 . . . . 16 LEU HB2 . 10274 1 98 . 1 1 16 16 LEU HB3 H 1 1.290 0.030 . 2 . . . . 16 LEU HB3 . 10274 1 99 . 1 1 16 16 LEU HD11 H 1 0.817 0.030 . 1 . . . . 16 LEU HD1 . 10274 1 100 . 1 1 16 16 LEU HD12 H 1 0.817 0.030 . 1 . . . . 16 LEU HD1 . 10274 1 101 . 1 1 16 16 LEU HD13 H 1 0.817 0.030 . 1 . . . . 16 LEU HD1 . 10274 1 102 . 1 1 16 16 LEU HD21 H 1 0.700 0.030 . 1 . . . . 16 LEU HD2 . 10274 1 103 . 1 1 16 16 LEU HD22 H 1 0.700 0.030 . 1 . . . . 16 LEU HD2 . 10274 1 104 . 1 1 16 16 LEU HD23 H 1 0.700 0.030 . 1 . . . . 16 LEU HD2 . 10274 1 105 . 1 1 16 16 LEU HG H 1 1.539 0.030 . 1 . . . . 16 LEU HG . 10274 1 106 . 1 1 16 16 LEU C C 13 175.868 0.300 . 1 . . . . 16 LEU C . 10274 1 107 . 1 1 16 16 LEU CA C 13 53.224 0.300 . 1 . . . . 16 LEU CA . 10274 1 108 . 1 1 16 16 LEU CB C 13 45.061 0.300 . 1 . . . . 16 LEU CB . 10274 1 109 . 1 1 16 16 LEU CD1 C 13 26.415 0.300 . 2 . . . . 16 LEU CD1 . 10274 1 110 . 1 1 16 16 LEU CD2 C 13 25.452 0.300 . 2 . . . . 16 LEU CD2 . 10274 1 111 . 1 1 16 16 LEU CG C 13 27.899 0.300 . 1 . . . . 16 LEU CG . 10274 1 112 . 1 1 16 16 LEU N N 15 120.470 0.300 . 1 . . . . 16 LEU N . 10274 1 113 . 1 1 17 17 ALA H H 1 8.737 0.030 . 1 . . . . 17 ALA H . 10274 1 114 . 1 1 17 17 ALA HA H 1 4.620 0.030 . 1 . . . . 17 ALA HA . 10274 1 115 . 1 1 17 17 ALA HB1 H 1 1.360 0.030 . 1 . . . . 17 ALA HB . 10274 1 116 . 1 1 17 17 ALA HB2 H 1 1.360 0.030 . 1 . . . . 17 ALA HB . 10274 1 117 . 1 1 17 17 ALA HB3 H 1 1.360 0.030 . 1 . . . . 17 ALA HB . 10274 1 118 . 1 1 17 17 ALA C C 13 175.371 0.300 . 1 . . . . 17 ALA C . 10274 1 119 . 1 1 17 17 ALA CA C 13 51.249 0.300 . 1 . . . . 17 ALA CA . 10274 1 120 . 1 1 17 17 ALA CB C 13 22.570 0.300 . 1 . . . . 17 ALA CB . 10274 1 121 . 1 1 17 17 ALA N N 15 124.938 0.300 . 1 . . . . 17 ALA N . 10274 1 122 . 1 1 18 18 SER H H 1 8.675 0.030 . 1 . . . . 18 SER H . 10274 1 123 . 1 1 18 18 SER HA H 1 5.021 0.030 . 1 . . . . 18 SER HA . 10274 1 124 . 1 1 18 18 SER HB2 H 1 3.955 0.030 . 2 . . . . 18 SER HB2 . 10274 1 125 . 1 1 18 18 SER HB3 H 1 3.648 0.030 . 2 . . . . 18 SER HB3 . 10274 1 126 . 1 1 18 18 SER C C 13 174.678 0.300 . 1 . . . . 18 SER C . 10274 1 127 . 1 1 18 18 SER CA C 13 57.244 0.300 . 1 . . . . 18 SER CA . 10274 1 128 . 1 1 18 18 SER CB C 13 64.200 0.300 . 1 . . . . 18 SER CB . 10274 1 129 . 1 1 18 18 SER N N 15 113.933 0.300 . 1 . . . . 18 SER N . 10274 1 130 . 1 1 19 19 GLU H H 1 9.743 0.030 . 1 . . . . 19 GLU H . 10274 1 131 . 1 1 19 19 GLU HA H 1 4.466 0.030 . 1 . . . . 19 GLU HA . 10274 1 132 . 1 1 19 19 GLU HB2 H 1 2.142 0.030 . 2 . . . . 19 GLU HB2 . 10274 1 133 . 1 1 19 19 GLU HB3 H 1 1.886 0.030 . 2 . . . . 19 GLU HB3 . 10274 1 134 . 1 1 19 19 GLU HG2 H 1 2.187 0.030 . 1 . . . . 19 GLU HG2 . 10274 1 135 . 1 1 19 19 GLU HG3 H 1 2.187 0.030 . 1 . . . . 19 GLU HG3 . 10274 1 136 . 1 1 19 19 GLU C C 13 176.368 0.300 . 1 . . . . 19 GLU C . 10274 1 137 . 1 1 19 19 GLU CA C 13 56.295 0.300 . 1 . . . . 19 GLU CA . 10274 1 138 . 1 1 19 19 GLU CB C 13 31.532 0.300 . 1 . . . . 19 GLU CB . 10274 1 139 . 1 1 19 19 GLU CG C 13 36.302 0.300 . 1 . . . . 19 GLU CG . 10274 1 140 . 1 1 19 19 GLU N N 15 127.234 0.300 . 1 . . . . 19 GLU N . 10274 1 141 . 1 1 20 20 THR H H 1 7.759 0.030 . 1 . . . . 20 THR H . 10274 1 142 . 1 1 20 20 THR HA H 1 4.935 0.030 . 1 . . . . 20 THR HA . 10274 1 143 . 1 1 20 20 THR HB H 1 4.482 0.030 . 1 . . . . 20 THR HB . 10274 1 144 . 1 1 20 20 THR HG21 H 1 1.160 0.030 . 1 . . . . 20 THR HG2 . 10274 1 145 . 1 1 20 20 THR HG22 H 1 1.160 0.030 . 1 . . . . 20 THR HG2 . 10274 1 146 . 1 1 20 20 THR HG23 H 1 1.160 0.030 . 1 . . . . 20 THR HG2 . 10274 1 147 . 1 1 20 20 THR C C 13 171.770 0.300 . 1 . . . . 20 THR C . 10274 1 148 . 1 1 20 20 THR CA C 13 58.337 0.300 . 1 . . . . 20 THR CA . 10274 1 149 . 1 1 20 20 THR CB C 13 69.869 0.300 . 1 . . . . 20 THR CB . 10274 1 150 . 1 1 20 20 THR CG2 C 13 22.089 0.300 . 1 . . . . 20 THR CG2 . 10274 1 151 . 1 1 20 20 THR N N 15 109.600 0.300 . 1 . . . . 20 THR N . 10274 1 152 . 1 1 21 21 PRO HA H 1 4.587 0.030 . 1 . . . . 21 PRO HA . 10274 1 153 . 1 1 21 21 PRO HB2 H 1 2.223 0.030 . 2 . . . . 21 PRO HB2 . 10274 1 154 . 1 1 21 21 PRO HB3 H 1 1.901 0.030 . 2 . . . . 21 PRO HB3 . 10274 1 155 . 1 1 21 21 PRO HD2 H 1 3.834 0.030 . 2 . . . . 21 PRO HD2 . 10274 1 156 . 1 1 21 21 PRO HD3 H 1 3.705 0.030 . 2 . . . . 21 PRO HD3 . 10274 1 157 . 1 1 21 21 PRO HG2 H 1 2.008 0.030 . 2 . . . . 21 PRO HG2 . 10274 1 158 . 1 1 21 21 PRO HG3 H 1 1.668 0.030 . 2 . . . . 21 PRO HG3 . 10274 1 159 . 1 1 21 21 PRO C C 13 173.647 0.300 . 1 . . . . 21 PRO C . 10274 1 160 . 1 1 21 21 PRO CA C 13 64.332 0.300 . 1 . . . . 21 PRO CA . 10274 1 161 . 1 1 21 21 PRO CB C 13 32.380 0.300 . 1 . . . . 21 PRO CB . 10274 1 162 . 1 1 21 21 PRO CD C 13 50.704 0.300 . 1 . . . . 21 PRO CD . 10274 1 163 . 1 1 21 21 PRO CG C 13 27.766 0.300 . 1 . . . . 21 PRO CG . 10274 1 164 . 1 1 22 22 ASP H H 1 7.420 0.030 . 1 . . . . 22 ASP H . 10274 1 165 . 1 1 22 22 ASP HA H 1 4.648 0.030 . 1 . . . . 22 ASP HA . 10274 1 166 . 1 1 22 22 ASP HB2 H 1 3.117 0.030 . 2 . . . . 22 ASP HB2 . 10274 1 167 . 1 1 22 22 ASP HB3 H 1 2.454 0.030 . 2 . . . . 22 ASP HB3 . 10274 1 168 . 1 1 22 22 ASP C C 13 175.838 0.300 . 1 . . . . 22 ASP C . 10274 1 169 . 1 1 22 22 ASP CA C 13 51.037 0.300 . 1 . . . . 22 ASP CA . 10274 1 170 . 1 1 22 22 ASP CB C 13 42.177 0.300 . 1 . . . . 22 ASP CB . 10274 1 171 . 1 1 22 22 ASP N N 15 107.201 0.300 . 1 . . . . 22 ASP N . 10274 1 172 . 1 1 23 23 SER H H 1 7.729 0.030 . 1 . . . . 23 SER H . 10274 1 173 . 1 1 23 23 SER HA H 1 5.474 0.030 . 1 . . . . 23 SER HA . 10274 1 174 . 1 1 23 23 SER HB2 H 1 3.595 0.030 . 2 . . . . 23 SER HB2 . 10274 1 175 . 1 1 23 23 SER HB3 H 1 3.482 0.030 . 2 . . . . 23 SER HB3 . 10274 1 176 . 1 1 23 23 SER C C 13 171.887 0.300 . 1 . . . . 23 SER C . 10274 1 177 . 1 1 23 23 SER CA C 13 57.481 0.300 . 1 . . . . 23 SER CA . 10274 1 178 . 1 1 23 23 SER CB C 13 68.168 0.300 . 1 . . . . 23 SER CB . 10274 1 179 . 1 1 23 23 SER N N 15 112.046 0.300 . 1 . . . . 23 SER N . 10274 1 180 . 1 1 24 24 LEU H H 1 7.884 0.030 . 1 . . . . 24 LEU H . 10274 1 181 . 1 1 24 24 LEU HA H 1 4.769 0.030 . 1 . . . . 24 LEU HA . 10274 1 182 . 1 1 24 24 LEU HB2 H 1 1.156 0.030 . 2 . . . . 24 LEU HB2 . 10274 1 183 . 1 1 24 24 LEU HB3 H 1 1.075 0.030 . 2 . . . . 24 LEU HB3 . 10274 1 184 . 1 1 24 24 LEU HD11 H 1 0.587 0.030 . 1 . . . . 24 LEU HD1 . 10274 1 185 . 1 1 24 24 LEU HD12 H 1 0.587 0.030 . 1 . . . . 24 LEU HD1 . 10274 1 186 . 1 1 24 24 LEU HD13 H 1 0.587 0.030 . 1 . . . . 24 LEU HD1 . 10274 1 187 . 1 1 24 24 LEU HD21 H 1 0.498 0.030 . 1 . . . . 24 LEU HD2 . 10274 1 188 . 1 1 24 24 LEU HD22 H 1 0.498 0.030 . 1 . . . . 24 LEU HD2 . 10274 1 189 . 1 1 24 24 LEU HD23 H 1 0.498 0.030 . 1 . . . . 24 LEU HD2 . 10274 1 190 . 1 1 24 24 LEU HG H 1 1.283 0.030 . 1 . . . . 24 LEU HG . 10274 1 191 . 1 1 24 24 LEU C C 13 174.542 0.300 . 1 . . . . 24 LEU C . 10274 1 192 . 1 1 24 24 LEU CA C 13 53.576 0.300 . 1 . . . . 24 LEU CA . 10274 1 193 . 1 1 24 24 LEU CB C 13 47.616 0.300 . 1 . . . . 24 LEU CB . 10274 1 194 . 1 1 24 24 LEU CD1 C 13 24.972 0.300 . 2 . . . . 24 LEU CD1 . 10274 1 195 . 1 1 24 24 LEU CD2 C 13 25.194 0.300 . 2 . . . . 24 LEU CD2 . 10274 1 196 . 1 1 24 24 LEU CG C 13 26.064 0.300 . 1 . . . . 24 LEU CG . 10274 1 197 . 1 1 24 24 LEU N N 15 119.324 0.300 . 1 . . . . 24 LEU N . 10274 1 198 . 1 1 25 25 GLN H H 1 9.356 0.030 . 1 . . . . 25 GLN H . 10274 1 199 . 1 1 25 25 GLN HA H 1 4.747 0.030 . 1 . . . . 25 GLN HA . 10274 1 200 . 1 1 25 25 GLN HB2 H 1 1.971 0.030 . 1 . . . . 25 GLN HB2 . 10274 1 201 . 1 1 25 25 GLN HB3 H 1 1.971 0.030 . 1 . . . . 25 GLN HB3 . 10274 1 202 . 1 1 25 25 GLN HE21 H 1 7.053 0.030 . 2 . . . . 25 GLN HE21 . 10274 1 203 . 1 1 25 25 GLN HE22 H 1 6.762 0.030 . 2 . . . . 25 GLN HE22 . 10274 1 204 . 1 1 25 25 GLN HG2 H 1 2.241 0.030 . 1 . . . . 25 GLN HG2 . 10274 1 205 . 1 1 25 25 GLN HG3 H 1 2.241 0.030 . 1 . . . . 25 GLN HG3 . 10274 1 206 . 1 1 25 25 GLN C C 13 174.824 0.300 . 1 . . . . 25 GLN C . 10274 1 207 . 1 1 25 25 GLN CA C 13 55.533 0.300 . 1 . . . . 25 GLN CA . 10274 1 208 . 1 1 25 25 GLN CB C 13 29.759 0.300 . 1 . . . . 25 GLN CB . 10274 1 209 . 1 1 25 25 GLN CG C 13 34.058 0.300 . 1 . . . . 25 GLN CG . 10274 1 210 . 1 1 25 25 GLN N N 15 124.019 0.300 . 1 . . . . 25 GLN N . 10274 1 211 . 1 1 25 25 GLN NE2 N 15 111.135 0.300 . 1 . . . . 25 GLN NE2 . 10274 1 212 . 1 1 26 26 VAL H H 1 9.020 0.030 . 1 . . . . 26 VAL H . 10274 1 213 . 1 1 26 26 VAL HA H 1 4.824 0.030 . 1 . . . . 26 VAL HA . 10274 1 214 . 1 1 26 26 VAL HB H 1 2.107 0.030 . 1 . . . . 26 VAL HB . 10274 1 215 . 1 1 26 26 VAL HG11 H 1 0.747 0.030 . 1 . . . . 26 VAL HG1 . 10274 1 216 . 1 1 26 26 VAL HG12 H 1 0.747 0.030 . 1 . . . . 26 VAL HG1 . 10274 1 217 . 1 1 26 26 VAL HG13 H 1 0.747 0.030 . 1 . . . . 26 VAL HG1 . 10274 1 218 . 1 1 26 26 VAL HG21 H 1 1.056 0.030 . 1 . . . . 26 VAL HG2 . 10274 1 219 . 1 1 26 26 VAL HG22 H 1 1.056 0.030 . 1 . . . . 26 VAL HG2 . 10274 1 220 . 1 1 26 26 VAL HG23 H 1 1.056 0.030 . 1 . . . . 26 VAL HG2 . 10274 1 221 . 1 1 26 26 VAL C C 13 174.556 0.300 . 1 . . . . 26 VAL C . 10274 1 222 . 1 1 26 26 VAL CA C 13 60.629 0.300 . 1 . . . . 26 VAL CA . 10274 1 223 . 1 1 26 26 VAL CB C 13 33.355 0.300 . 1 . . . . 26 VAL CB . 10274 1 224 . 1 1 26 26 VAL CG1 C 13 20.729 0.300 . 2 . . . . 26 VAL CG1 . 10274 1 225 . 1 1 26 26 VAL CG2 C 13 22.519 0.300 . 2 . . . . 26 VAL CG2 . 10274 1 226 . 1 1 26 26 VAL N N 15 127.649 0.300 . 1 . . . . 26 VAL N . 10274 1 227 . 1 1 27 27 SER H H 1 9.056 0.030 . 1 . . . . 27 SER H . 10274 1 228 . 1 1 27 27 SER HA H 1 4.857 0.030 . 1 . . . . 27 SER HA . 10274 1 229 . 1 1 27 27 SER HB2 H 1 3.766 0.030 . 2 . . . . 27 SER HB2 . 10274 1 230 . 1 1 27 27 SER HB3 H 1 3.631 0.030 . 2 . . . . 27 SER HB3 . 10274 1 231 . 1 1 27 27 SER C C 13 172.328 0.300 . 1 . . . . 27 SER C . 10274 1 232 . 1 1 27 27 SER CA C 13 57.138 0.300 . 1 . . . . 27 SER CA . 10274 1 233 . 1 1 27 27 SER CB C 13 66.864 0.300 . 1 . . . . 27 SER CB . 10274 1 234 . 1 1 27 27 SER N N 15 119.826 0.300 . 1 . . . . 27 SER N . 10274 1 235 . 1 1 28 28 TRP H H 1 7.584 0.030 . 1 . . . . 28 TRP H . 10274 1 236 . 1 1 28 28 TRP HA H 1 5.022 0.030 . 1 . . . . 28 TRP HA . 10274 1 237 . 1 1 28 28 TRP HB2 H 1 3.356 0.030 . 2 . . . . 28 TRP HB2 . 10274 1 238 . 1 1 28 28 TRP HB3 H 1 2.983 0.030 . 2 . . . . 28 TRP HB3 . 10274 1 239 . 1 1 28 28 TRP HD1 H 1 6.218 0.030 . 1 . . . . 28 TRP HD1 . 10274 1 240 . 1 1 28 28 TRP HE1 H 1 7.462 0.030 . 1 . . . . 28 TRP HE1 . 10274 1 241 . 1 1 28 28 TRP HE3 H 1 6.847 0.030 . 1 . . . . 28 TRP HE3 . 10274 1 242 . 1 1 28 28 TRP HH2 H 1 6.371 0.030 . 1 . . . . 28 TRP HH2 . 10274 1 243 . 1 1 28 28 TRP HZ2 H 1 6.393 0.030 . 1 . . . . 28 TRP HZ2 . 10274 1 244 . 1 1 28 28 TRP HZ3 H 1 6.379 0.030 . 1 . . . . 28 TRP HZ3 . 10274 1 245 . 1 1 28 28 TRP C C 13 174.055 0.300 . 1 . . . . 28 TRP C . 10274 1 246 . 1 1 28 28 TRP CA C 13 56.609 0.300 . 1 . . . . 28 TRP CA . 10274 1 247 . 1 1 28 28 TRP CB C 13 29.814 0.300 . 1 . . . . 28 TRP CB . 10274 1 248 . 1 1 28 28 TRP CD1 C 13 123.670 0.300 . 1 . . . . 28 TRP CD1 . 10274 1 249 . 1 1 28 28 TRP CE3 C 13 119.234 0.300 . 1 . . . . 28 TRP CE3 . 10274 1 250 . 1 1 28 28 TRP CH2 C 13 122.004 0.300 . 1 . . . . 28 TRP CH2 . 10274 1 251 . 1 1 28 28 TRP CZ2 C 13 113.821 0.300 . 1 . . . . 28 TRP CZ2 . 10274 1 252 . 1 1 28 28 TRP CZ3 C 13 120.833 0.300 . 1 . . . . 28 TRP CZ3 . 10274 1 253 . 1 1 28 28 TRP N N 15 115.280 0.300 . 1 . . . . 28 TRP N . 10274 1 254 . 1 1 28 28 TRP NE1 N 15 125.004 0.300 . 1 . . . . 28 TRP NE1 . 10274 1 255 . 1 1 29 29 THR H H 1 9.293 0.030 . 1 . . . . 29 THR H . 10274 1 256 . 1 1 29 29 THR HA H 1 4.865 0.030 . 1 . . . . 29 THR HA . 10274 1 257 . 1 1 29 29 THR HB H 1 4.126 0.030 . 1 . . . . 29 THR HB . 10274 1 258 . 1 1 29 29 THR HG21 H 1 1.307 0.030 . 1 . . . . 29 THR HG2 . 10274 1 259 . 1 1 29 29 THR HG22 H 1 1.307 0.030 . 1 . . . . 29 THR HG2 . 10274 1 260 . 1 1 29 29 THR HG23 H 1 1.307 0.030 . 1 . . . . 29 THR HG2 . 10274 1 261 . 1 1 29 29 THR C C 13 173.203 0.300 . 1 . . . . 29 THR C . 10274 1 262 . 1 1 29 29 THR CA C 13 59.889 0.300 . 1 . . . . 29 THR CA . 10274 1 263 . 1 1 29 29 THR CB C 13 69.774 0.300 . 1 . . . . 29 THR CB . 10274 1 264 . 1 1 29 29 THR CG2 C 13 21.400 0.300 . 1 . . . . 29 THR CG2 . 10274 1 265 . 1 1 29 29 THR N N 15 117.164 0.300 . 1 . . . . 29 THR N . 10274 1 266 . 1 1 30 30 PRO HA H 1 4.809 0.030 . 1 . . . . 30 PRO HA . 10274 1 267 . 1 1 30 30 PRO HB2 H 1 2.694 0.030 . 2 . . . . 30 PRO HB2 . 10274 1 268 . 1 1 30 30 PRO HB3 H 1 2.028 0.030 . 2 . . . . 30 PRO HB3 . 10274 1 269 . 1 1 30 30 PRO HD2 H 1 4.178 0.030 . 2 . . . . 30 PRO HD2 . 10274 1 270 . 1 1 30 30 PRO HD3 H 1 3.883 0.030 . 2 . . . . 30 PRO HD3 . 10274 1 271 . 1 1 30 30 PRO HG2 H 1 2.241 0.030 . 2 . . . . 30 PRO HG2 . 10274 1 272 . 1 1 30 30 PRO HG3 H 1 1.984 0.030 . 2 . . . . 30 PRO HG3 . 10274 1 273 . 1 1 30 30 PRO CA C 13 61.701 0.300 . 1 . . . . 30 PRO CA . 10274 1 274 . 1 1 30 30 PRO CB C 13 32.114 0.300 . 1 . . . . 30 PRO CB . 10274 1 275 . 1 1 30 30 PRO CD C 13 52.078 0.300 . 1 . . . . 30 PRO CD . 10274 1 276 . 1 1 30 30 PRO CG C 13 28.148 0.300 . 1 . . . . 30 PRO CG . 10274 1 277 . 1 1 31 31 PRO HA H 1 4.703 0.030 . 1 . . . . 31 PRO HA . 10274 1 278 . 1 1 31 31 PRO HB2 H 1 2.085 0.030 . 1 . . . . 31 PRO HB2 . 10274 1 279 . 1 1 31 31 PRO HB3 H 1 2.085 0.030 . 1 . . . . 31 PRO HB3 . 10274 1 280 . 1 1 31 31 PRO HD2 H 1 4.153 0.030 . 2 . . . . 31 PRO HD2 . 10274 1 281 . 1 1 31 31 PRO HD3 H 1 3.570 0.030 . 2 . . . . 31 PRO HD3 . 10274 1 282 . 1 1 31 31 PRO HG2 H 1 1.843 0.030 . 2 . . . . 31 PRO HG2 . 10274 1 283 . 1 1 31 31 PRO HG3 H 1 1.737 0.030 . 2 . . . . 31 PRO HG3 . 10274 1 284 . 1 1 31 31 PRO C C 13 175.384 0.300 . 1 . . . . 31 PRO C . 10274 1 285 . 1 1 31 31 PRO CA C 13 61.793 0.300 . 1 . . . . 31 PRO CA . 10274 1 286 . 1 1 31 31 PRO CB C 13 32.822 0.300 . 1 . . . . 31 PRO CB . 10274 1 287 . 1 1 31 31 PRO CD C 13 50.628 0.300 . 1 . . . . 31 PRO CD . 10274 1 288 . 1 1 31 31 PRO CG C 13 27.016 0.300 . 1 . . . . 31 PRO CG . 10274 1 289 . 1 1 32 32 LEU H H 1 8.312 0.030 . 1 . . . . 32 LEU H . 10274 1 290 . 1 1 32 32 LEU HA H 1 4.333 0.030 . 1 . . . . 32 LEU HA . 10274 1 291 . 1 1 32 32 LEU HB2 H 1 1.673 0.030 . 2 . . . . 32 LEU HB2 . 10274 1 292 . 1 1 32 32 LEU HB3 H 1 1.574 0.030 . 2 . . . . 32 LEU HB3 . 10274 1 293 . 1 1 32 32 LEU HD11 H 1 0.944 0.030 . 1 . . . . 32 LEU HD1 . 10274 1 294 . 1 1 32 32 LEU HD12 H 1 0.944 0.030 . 1 . . . . 32 LEU HD1 . 10274 1 295 . 1 1 32 32 LEU HD13 H 1 0.944 0.030 . 1 . . . . 32 LEU HD1 . 10274 1 296 . 1 1 32 32 LEU HD21 H 1 0.903 0.030 . 1 . . . . 32 LEU HD2 . 10274 1 297 . 1 1 32 32 LEU HD22 H 1 0.903 0.030 . 1 . . . . 32 LEU HD2 . 10274 1 298 . 1 1 32 32 LEU HD23 H 1 0.903 0.030 . 1 . . . . 32 LEU HD2 . 10274 1 299 . 1 1 32 32 LEU HG H 1 1.722 0.030 . 1 . . . . 32 LEU HG . 10274 1 300 . 1 1 32 32 LEU C C 13 177.793 0.300 . 1 . . . . 32 LEU C . 10274 1 301 . 1 1 32 32 LEU CA C 13 55.851 0.300 . 1 . . . . 32 LEU CA . 10274 1 302 . 1 1 32 32 LEU CB C 13 41.968 0.300 . 1 . . . . 32 LEU CB . 10274 1 303 . 1 1 32 32 LEU CD1 C 13 24.955 0.300 . 2 . . . . 32 LEU CD1 . 10274 1 304 . 1 1 32 32 LEU CD2 C 13 23.425 0.300 . 2 . . . . 32 LEU CD2 . 10274 1 305 . 1 1 32 32 LEU CG C 13 27.186 0.300 . 1 . . . . 32 LEU CG . 10274 1 306 . 1 1 32 32 LEU N N 15 119.044 0.300 . 1 . . . . 32 LEU N . 10274 1 307 . 1 1 33 33 GLY H H 1 8.147 0.030 . 1 . . . . 33 GLY H . 10274 1 308 . 1 1 33 33 GLY HA2 H 1 4.210 0.030 . 2 . . . . 33 GLY HA2 . 10274 1 309 . 1 1 33 33 GLY HA3 H 1 4.051 0.030 . 2 . . . . 33 GLY HA3 . 10274 1 310 . 1 1 33 33 GLY C C 13 172.971 0.300 . 1 . . . . 33 GLY C . 10274 1 311 . 1 1 33 33 GLY CA C 13 44.216 0.300 . 1 . . . . 33 GLY CA . 10274 1 312 . 1 1 33 33 GLY N N 15 107.917 0.300 . 1 . . . . 33 GLY N . 10274 1 313 . 1 1 34 34 ARG H H 1 8.671 0.030 . 1 . . . . 34 ARG H . 10274 1 314 . 1 1 34 34 ARG HA H 1 4.405 0.030 . 1 . . . . 34 ARG HA . 10274 1 315 . 1 1 34 34 ARG HB2 H 1 1.890 0.030 . 2 . . . . 34 ARG HB2 . 10274 1 316 . 1 1 34 34 ARG HB3 H 1 1.756 0.030 . 2 . . . . 34 ARG HB3 . 10274 1 317 . 1 1 34 34 ARG HD2 H 1 3.215 0.030 . 1 . . . . 34 ARG HD2 . 10274 1 318 . 1 1 34 34 ARG HD3 H 1 3.215 0.030 . 1 . . . . 34 ARG HD3 . 10274 1 319 . 1 1 34 34 ARG HG2 H 1 1.627 0.030 . 2 . . . . 34 ARG HG2 . 10274 1 320 . 1 1 34 34 ARG HG3 H 1 1.559 0.030 . 2 . . . . 34 ARG HG3 . 10274 1 321 . 1 1 34 34 ARG C C 13 174.517 0.300 . 1 . . . . 34 ARG C . 10274 1 322 . 1 1 34 34 ARG CA C 13 55.339 0.300 . 1 . . . . 34 ARG CA . 10274 1 323 . 1 1 34 34 ARG CB C 13 29.137 0.300 . 1 . . . . 34 ARG CB . 10274 1 324 . 1 1 34 34 ARG CD C 13 43.371 0.300 . 1 . . . . 34 ARG CD . 10274 1 325 . 1 1 34 34 ARG CG C 13 27.250 0.300 . 1 . . . . 34 ARG CG . 10274 1 326 . 1 1 34 34 ARG N N 15 121.152 0.300 . 1 . . . . 34 ARG N . 10274 1 327 . 1 1 35 35 VAL H H 1 7.825 0.030 . 1 . . . . 35 VAL H . 10274 1 328 . 1 1 35 35 VAL HA H 1 3.060 0.030 . 1 . . . . 35 VAL HA . 10274 1 329 . 1 1 35 35 VAL HB H 1 1.604 0.030 . 1 . . . . 35 VAL HB . 10274 1 330 . 1 1 35 35 VAL HG11 H 1 0.414 0.030 . 1 . . . . 35 VAL HG1 . 10274 1 331 . 1 1 35 35 VAL HG12 H 1 0.414 0.030 . 1 . . . . 35 VAL HG1 . 10274 1 332 . 1 1 35 35 VAL HG13 H 1 0.414 0.030 . 1 . . . . 35 VAL HG1 . 10274 1 333 . 1 1 35 35 VAL HG21 H 1 -0.158 0.030 . 1 . . . . 35 VAL HG2 . 10274 1 334 . 1 1 35 35 VAL HG22 H 1 -0.158 0.030 . 1 . . . . 35 VAL HG2 . 10274 1 335 . 1 1 35 35 VAL HG23 H 1 -0.158 0.030 . 1 . . . . 35 VAL HG2 . 10274 1 336 . 1 1 35 35 VAL C C 13 176.613 0.300 . 1 . . . . 35 VAL C . 10274 1 337 . 1 1 35 35 VAL CA C 13 62.505 0.300 . 1 . . . . 35 VAL CA . 10274 1 338 . 1 1 35 35 VAL CB C 13 32.534 0.300 . 1 . . . . 35 VAL CB . 10274 1 339 . 1 1 35 35 VAL CG1 C 13 22.164 0.300 . 2 . . . . 35 VAL CG1 . 10274 1 340 . 1 1 35 35 VAL CG2 C 13 20.978 0.300 . 2 . . . . 35 VAL CG2 . 10274 1 341 . 1 1 35 35 VAL N N 15 126.379 0.300 . 1 . . . . 35 VAL N . 10274 1 342 . 1 1 36 36 LEU H H 1 8.874 0.030 . 1 . . . . 36 LEU H . 10274 1 343 . 1 1 36 36 LEU HA H 1 4.176 0.030 . 1 . . . . 36 LEU HA . 10274 1 344 . 1 1 36 36 LEU HB2 H 1 1.470 0.030 . 1 . . . . 36 LEU HB2 . 10274 1 345 . 1 1 36 36 LEU HB3 H 1 1.470 0.030 . 1 . . . . 36 LEU HB3 . 10274 1 346 . 1 1 36 36 LEU HD11 H 1 0.769 0.030 . 1 . . . . 36 LEU HD1 . 10274 1 347 . 1 1 36 36 LEU HD12 H 1 0.769 0.030 . 1 . . . . 36 LEU HD1 . 10274 1 348 . 1 1 36 36 LEU HD13 H 1 0.769 0.030 . 1 . . . . 36 LEU HD1 . 10274 1 349 . 1 1 36 36 LEU HD21 H 1 0.797 0.030 . 1 . . . . 36 LEU HD2 . 10274 1 350 . 1 1 36 36 LEU HD22 H 1 0.797 0.030 . 1 . . . . 36 LEU HD2 . 10274 1 351 . 1 1 36 36 LEU HD23 H 1 0.797 0.030 . 1 . . . . 36 LEU HD2 . 10274 1 352 . 1 1 36 36 LEU HG H 1 1.633 0.030 . 1 . . . . 36 LEU HG . 10274 1 353 . 1 1 36 36 LEU C C 13 177.540 0.300 . 1 . . . . 36 LEU C . 10274 1 354 . 1 1 36 36 LEU CA C 13 57.050 0.300 . 1 . . . . 36 LEU CA . 10274 1 355 . 1 1 36 36 LEU CB C 13 41.723 0.300 . 1 . . . . 36 LEU CB . 10274 1 356 . 1 1 36 36 LEU CD1 C 13 25.405 0.300 . 2 . . . . 36 LEU CD1 . 10274 1 357 . 1 1 36 36 LEU CD2 C 13 22.073 0.300 . 2 . . . . 36 LEU CD2 . 10274 1 358 . 1 1 36 36 LEU CG C 13 27.359 0.300 . 1 . . . . 36 LEU CG . 10274 1 359 . 1 1 36 36 LEU N N 15 127.956 0.300 . 1 . . . . 36 LEU N . 10274 1 360 . 1 1 37 37 HIS H H 1 7.231 0.030 . 1 . . . . 37 HIS H . 10274 1 361 . 1 1 37 37 HIS HA H 1 4.615 0.030 . 1 . . . . 37 HIS HA . 10274 1 362 . 1 1 37 37 HIS HB2 H 1 3.380 0.030 . 2 . . . . 37 HIS HB2 . 10274 1 363 . 1 1 37 37 HIS HB3 H 1 3.012 0.030 . 2 . . . . 37 HIS HB3 . 10274 1 364 . 1 1 37 37 HIS HD2 H 1 6.604 0.030 . 1 . . . . 37 HIS HD2 . 10274 1 365 . 1 1 37 37 HIS HE1 H 1 7.559 0.030 . 1 . . . . 37 HIS HE1 . 10274 1 366 . 1 1 37 37 HIS C C 13 171.558 0.300 . 1 . . . . 37 HIS C . 10274 1 367 . 1 1 37 37 HIS CA C 13 55.005 0.300 . 1 . . . . 37 HIS CA . 10274 1 368 . 1 1 37 37 HIS CB C 13 32.039 0.300 . 1 . . . . 37 HIS CB . 10274 1 369 . 1 1 37 37 HIS CD2 C 13 121.660 0.300 . 1 . . . . 37 HIS CD2 . 10274 1 370 . 1 1 37 37 HIS CE1 C 13 137.933 0.300 . 1 . . . . 37 HIS CE1 . 10274 1 371 . 1 1 37 37 HIS N N 15 112.948 0.300 . 1 . . . . 37 HIS N . 10274 1 372 . 1 1 38 38 TYR H H 1 9.836 0.030 . 1 . . . . 38 TYR H . 10274 1 373 . 1 1 38 38 TYR HA H 1 5.165 0.030 . 1 . . . . 38 TYR HA . 10274 1 374 . 1 1 38 38 TYR HB2 H 1 2.527 0.030 . 2 . . . . 38 TYR HB2 . 10274 1 375 . 1 1 38 38 TYR HB3 H 1 2.424 0.030 . 2 . . . . 38 TYR HB3 . 10274 1 376 . 1 1 38 38 TYR HD1 H 1 6.724 0.030 . 1 . . . . 38 TYR HD1 . 10274 1 377 . 1 1 38 38 TYR HD2 H 1 6.724 0.030 . 1 . . . . 38 TYR HD2 . 10274 1 378 . 1 1 38 38 TYR C C 13 174.934 0.300 . 1 . . . . 38 TYR C . 10274 1 379 . 1 1 38 38 TYR CA C 13 56.698 0.300 . 1 . . . . 38 TYR CA . 10274 1 380 . 1 1 38 38 TYR CB C 13 40.251 0.300 . 1 . . . . 38 TYR CB . 10274 1 381 . 1 1 38 38 TYR CD1 C 13 133.008 0.300 . 1 . . . . 38 TYR CD1 . 10274 1 382 . 1 1 38 38 TYR CD2 C 13 133.008 0.300 . 1 . . . . 38 TYR CD2 . 10274 1 383 . 1 1 38 38 TYR CE1 C 13 119.358 0.300 . 1 . . . . 38 TYR CE1 . 10274 1 384 . 1 1 38 38 TYR CE2 C 13 119.358 0.300 . 1 . . . . 38 TYR CE2 . 10274 1 385 . 1 1 38 38 TYR N N 15 116.581 0.300 . 1 . . . . 38 TYR N . 10274 1 386 . 1 1 39 39 TRP H H 1 8.984 0.030 . 1 . . . . 39 TRP H . 10274 1 387 . 1 1 39 39 TRP HA H 1 5.307 0.030 . 1 . . . . 39 TRP HA . 10274 1 388 . 1 1 39 39 TRP HB2 H 1 3.190 0.030 . 2 . . . . 39 TRP HB2 . 10274 1 389 . 1 1 39 39 TRP HB3 H 1 2.888 0.030 . 2 . . . . 39 TRP HB3 . 10274 1 390 . 1 1 39 39 TRP HD1 H 1 7.077 0.030 . 1 . . . . 39 TRP HD1 . 10274 1 391 . 1 1 39 39 TRP HE1 H 1 9.933 0.030 . 1 . . . . 39 TRP HE1 . 10274 1 392 . 1 1 39 39 TRP HE3 H 1 7.491 0.030 . 1 . . . . 39 TRP HE3 . 10274 1 393 . 1 1 39 39 TRP HH2 H 1 7.166 0.030 . 1 . . . . 39 TRP HH2 . 10274 1 394 . 1 1 39 39 TRP HZ2 H 1 7.425 0.030 . 1 . . . . 39 TRP HZ2 . 10274 1 395 . 1 1 39 39 TRP HZ3 H 1 7.025 0.030 . 1 . . . . 39 TRP HZ3 . 10274 1 396 . 1 1 39 39 TRP C C 13 173.996 0.300 . 1 . . . . 39 TRP C . 10274 1 397 . 1 1 39 39 TRP CA C 13 55.798 0.300 . 1 . . . . 39 TRP CA . 10274 1 398 . 1 1 39 39 TRP CB C 13 31.998 0.300 . 1 . . . . 39 TRP CB . 10274 1 399 . 1 1 39 39 TRP CD1 C 13 126.490 0.300 . 1 . . . . 39 TRP CD1 . 10274 1 400 . 1 1 39 39 TRP CE3 C 13 119.889 0.300 . 1 . . . . 39 TRP CE3 . 10274 1 401 . 1 1 39 39 TRP CH2 C 13 124.534 0.300 . 1 . . . . 39 TRP CH2 . 10274 1 402 . 1 1 39 39 TRP CZ2 C 13 114.964 0.300 . 1 . . . . 39 TRP CZ2 . 10274 1 403 . 1 1 39 39 TRP CZ3 C 13 121.647 0.300 . 1 . . . . 39 TRP CZ3 . 10274 1 404 . 1 1 39 39 TRP N N 15 124.201 0.300 . 1 . . . . 39 TRP N . 10274 1 405 . 1 1 39 39 TRP NE1 N 15 128.446 0.300 . 1 . . . . 39 TRP NE1 . 10274 1 406 . 1 1 40 40 LEU H H 1 8.695 0.030 . 1 . . . . 40 LEU H . 10274 1 407 . 1 1 40 40 LEU HA H 1 5.636 0.030 . 1 . . . . 40 LEU HA . 10274 1 408 . 1 1 40 40 LEU HB2 H 1 1.574 0.030 . 2 . . . . 40 LEU HB2 . 10274 1 409 . 1 1 40 40 LEU HB3 H 1 1.294 0.030 . 2 . . . . 40 LEU HB3 . 10274 1 410 . 1 1 40 40 LEU HD11 H 1 0.689 0.030 . 1 . . . . 40 LEU HD1 . 10274 1 411 . 1 1 40 40 LEU HD12 H 1 0.689 0.030 . 1 . . . . 40 LEU HD1 . 10274 1 412 . 1 1 40 40 LEU HD13 H 1 0.689 0.030 . 1 . . . . 40 LEU HD1 . 10274 1 413 . 1 1 40 40 LEU HD21 H 1 0.659 0.030 . 1 . . . . 40 LEU HD2 . 10274 1 414 . 1 1 40 40 LEU HD22 H 1 0.659 0.030 . 1 . . . . 40 LEU HD2 . 10274 1 415 . 1 1 40 40 LEU HD23 H 1 0.659 0.030 . 1 . . . . 40 LEU HD2 . 10274 1 416 . 1 1 40 40 LEU HG H 1 1.646 0.030 . 1 . . . . 40 LEU HG . 10274 1 417 . 1 1 40 40 LEU C C 13 175.416 0.300 . 1 . . . . 40 LEU C . 10274 1 418 . 1 1 40 40 LEU CA C 13 54.030 0.300 . 1 . . . . 40 LEU CA . 10274 1 419 . 1 1 40 40 LEU CB C 13 44.846 0.300 . 1 . . . . 40 LEU CB . 10274 1 420 . 1 1 40 40 LEU CD1 C 13 27.294 0.300 . 2 . . . . 40 LEU CD1 . 10274 1 421 . 1 1 40 40 LEU CD2 C 13 27.165 0.300 . 2 . . . . 40 LEU CD2 . 10274 1 422 . 1 1 40 40 LEU CG C 13 28.544 0.300 . 1 . . . . 40 LEU CG . 10274 1 423 . 1 1 40 40 LEU N N 15 132.690 0.300 . 1 . . . . 40 LEU N . 10274 1 424 . 1 1 41 41 THR H H 1 9.103 0.030 . 1 . . . . 41 THR H . 10274 1 425 . 1 1 41 41 THR HA H 1 5.341 0.030 . 1 . . . . 41 THR HA . 10274 1 426 . 1 1 41 41 THR HB H 1 3.916 0.030 . 1 . . . . 41 THR HB . 10274 1 427 . 1 1 41 41 THR HG21 H 1 1.030 0.030 . 1 . . . . 41 THR HG2 . 10274 1 428 . 1 1 41 41 THR HG22 H 1 1.030 0.030 . 1 . . . . 41 THR HG2 . 10274 1 429 . 1 1 41 41 THR HG23 H 1 1.030 0.030 . 1 . . . . 41 THR HG2 . 10274 1 430 . 1 1 41 41 THR C C 13 173.042 0.300 . 1 . . . . 41 THR C . 10274 1 431 . 1 1 41 41 THR CA C 13 60.118 0.300 . 1 . . . . 41 THR CA . 10274 1 432 . 1 1 41 41 THR CB C 13 71.493 0.300 . 1 . . . . 41 THR CB . 10274 1 433 . 1 1 41 41 THR CG2 C 13 21.746 0.300 . 1 . . . . 41 THR CG2 . 10274 1 434 . 1 1 41 41 THR N N 15 117.923 0.300 . 1 . . . . 41 THR N . 10274 1 435 . 1 1 42 42 TYR H H 1 9.073 0.030 . 1 . . . . 42 TYR H . 10274 1 436 . 1 1 42 42 TYR HA H 1 5.915 0.030 . 1 . . . . 42 TYR HA . 10274 1 437 . 1 1 42 42 TYR HB2 H 1 2.905 0.030 . 2 . . . . 42 TYR HB2 . 10274 1 438 . 1 1 42 42 TYR HB3 H 1 2.512 0.030 . 2 . . . . 42 TYR HB3 . 10274 1 439 . 1 1 42 42 TYR HD1 H 1 6.582 0.030 . 1 . . . . 42 TYR HD1 . 10274 1 440 . 1 1 42 42 TYR HD2 H 1 6.582 0.030 . 1 . . . . 42 TYR HD2 . 10274 1 441 . 1 1 42 42 TYR HE1 H 1 6.418 0.030 . 1 . . . . 42 TYR HE1 . 10274 1 442 . 1 1 42 42 TYR HE2 H 1 6.418 0.030 . 1 . . . . 42 TYR HE2 . 10274 1 443 . 1 1 42 42 TYR C C 13 173.637 0.300 . 1 . . . . 42 TYR C . 10274 1 444 . 1 1 42 42 TYR CA C 13 55.146 0.300 . 1 . . . . 42 TYR CA . 10274 1 445 . 1 1 42 42 TYR CB C 13 42.124 0.300 . 1 . . . . 42 TYR CB . 10274 1 446 . 1 1 42 42 TYR CD1 C 13 133.451 0.300 . 1 . . . . 42 TYR CD1 . 10274 1 447 . 1 1 42 42 TYR CD2 C 13 133.451 0.300 . 1 . . . . 42 TYR CD2 . 10274 1 448 . 1 1 42 42 TYR CE1 C 13 117.870 0.300 . 1 . . . . 42 TYR CE1 . 10274 1 449 . 1 1 42 42 TYR CE2 C 13 117.870 0.300 . 1 . . . . 42 TYR CE2 . 10274 1 450 . 1 1 42 42 TYR N N 15 118.958 0.300 . 1 . . . . 42 TYR N . 10274 1 451 . 1 1 43 43 ALA H H 1 8.508 0.030 . 1 . . . . 43 ALA H . 10274 1 452 . 1 1 43 43 ALA HA H 1 5.099 0.030 . 1 . . . . 43 ALA HA . 10274 1 453 . 1 1 43 43 ALA HB1 H 1 1.329 0.030 . 1 . . . . 43 ALA HB . 10274 1 454 . 1 1 43 43 ALA HB2 H 1 1.329 0.030 . 1 . . . . 43 ALA HB . 10274 1 455 . 1 1 43 43 ALA HB3 H 1 1.329 0.030 . 1 . . . . 43 ALA HB . 10274 1 456 . 1 1 43 43 ALA C C 13 173.859 0.300 . 1 . . . . 43 ALA C . 10274 1 457 . 1 1 43 43 ALA CA C 13 50.156 0.300 . 1 . . . . 43 ALA CA . 10274 1 458 . 1 1 43 43 ALA CB C 13 21.455 0.300 . 1 . . . . 43 ALA CB . 10274 1 459 . 1 1 43 43 ALA N N 15 122.386 0.300 . 1 . . . . 43 ALA N . 10274 1 460 . 1 1 44 44 PRO HA H 1 4.079 0.030 . 1 . . . . 44 PRO HA . 10274 1 461 . 1 1 44 44 PRO HB2 H 1 1.963 0.030 . 2 . . . . 44 PRO HB2 . 10274 1 462 . 1 1 44 44 PRO HB3 H 1 1.802 0.030 . 2 . . . . 44 PRO HB3 . 10274 1 463 . 1 1 44 44 PRO HD2 H 1 3.872 0.030 . 2 . . . . 44 PRO HD2 . 10274 1 464 . 1 1 44 44 PRO HD3 H 1 3.423 0.030 . 2 . . . . 44 PRO HD3 . 10274 1 465 . 1 1 44 44 PRO HG2 H 1 2.041 0.030 . 2 . . . . 44 PRO HG2 . 10274 1 466 . 1 1 44 44 PRO HG3 H 1 1.747 0.030 . 2 . . . . 44 PRO HG3 . 10274 1 467 . 1 1 44 44 PRO C C 13 178.191 0.300 . 1 . . . . 44 PRO C . 10274 1 468 . 1 1 44 44 PRO CA C 13 63.194 0.300 . 1 . . . . 44 PRO CA . 10274 1 469 . 1 1 44 44 PRO CB C 13 31.525 0.300 . 1 . . . . 44 PRO CB . 10274 1 470 . 1 1 44 44 PRO CD C 13 50.416 0.300 . 1 . . . . 44 PRO CD . 10274 1 471 . 1 1 44 44 PRO CG C 13 28.251 0.300 . 1 . . . . 44 PRO CG . 10274 1 472 . 1 1 45 45 ALA H H 1 8.934 0.030 . 1 . . . . 45 ALA H . 10274 1 473 . 1 1 45 45 ALA HA H 1 3.965 0.030 . 1 . . . . 45 ALA HA . 10274 1 474 . 1 1 45 45 ALA HB1 H 1 1.228 0.030 . 1 . . . . 45 ALA HB . 10274 1 475 . 1 1 45 45 ALA HB2 H 1 1.228 0.030 . 1 . . . . 45 ALA HB . 10274 1 476 . 1 1 45 45 ALA HB3 H 1 1.228 0.030 . 1 . . . . 45 ALA HB . 10274 1 477 . 1 1 45 45 ALA C C 13 177.272 0.300 . 1 . . . . 45 ALA C . 10274 1 478 . 1 1 45 45 ALA CA C 13 53.911 0.300 . 1 . . . . 45 ALA CA . 10274 1 479 . 1 1 45 45 ALA CB C 13 18.221 0.300 . 1 . . . . 45 ALA CB . 10274 1 480 . 1 1 45 45 ALA N N 15 129.632 0.300 . 1 . . . . 45 ALA N . 10274 1 481 . 1 1 46 46 SER H H 1 8.311 0.030 . 1 . . . . 46 SER H . 10274 1 482 . 1 1 46 46 SER HA H 1 4.193 0.030 . 1 . . . . 46 SER HA . 10274 1 483 . 1 1 46 46 SER HB2 H 1 3.911 0.030 . 1 . . . . 46 SER HB2 . 10274 1 484 . 1 1 46 46 SER HB3 H 1 3.911 0.030 . 1 . . . . 46 SER HB3 . 10274 1 485 . 1 1 46 46 SER C C 13 175.546 0.300 . 1 . . . . 46 SER C . 10274 1 486 . 1 1 46 46 SER CA C 13 58.584 0.300 . 1 . . . . 46 SER CA . 10274 1 487 . 1 1 46 46 SER CB C 13 63.543 0.300 . 1 . . . . 46 SER CB . 10274 1 488 . 1 1 46 46 SER N N 15 111.878 0.300 . 1 . . . . 46 SER N . 10274 1 489 . 1 1 47 47 GLY H H 1 7.743 0.030 . 1 . . . . 47 GLY H . 10274 1 490 . 1 1 47 47 GLY HA2 H 1 4.203 0.030 . 2 . . . . 47 GLY HA2 . 10274 1 491 . 1 1 47 47 GLY HA3 H 1 3.840 0.030 . 2 . . . . 47 GLY HA3 . 10274 1 492 . 1 1 47 47 GLY C C 13 174.463 0.300 . 1 . . . . 47 GLY C . 10274 1 493 . 1 1 47 47 GLY CA C 13 45.501 0.300 . 1 . . . . 47 GLY CA . 10274 1 494 . 1 1 47 47 GLY N N 15 108.526 0.300 . 1 . . . . 47 GLY N . 10274 1 495 . 1 1 48 48 LEU H H 1 7.794 0.030 . 1 . . . . 48 LEU H . 10274 1 496 . 1 1 48 48 LEU HA H 1 4.448 0.030 . 1 . . . . 48 LEU HA . 10274 1 497 . 1 1 48 48 LEU HB2 H 1 1.572 0.030 . 1 . . . . 48 LEU HB2 . 10274 1 498 . 1 1 48 48 LEU HB3 H 1 1.572 0.030 . 1 . . . . 48 LEU HB3 . 10274 1 499 . 1 1 48 48 LEU HD11 H 1 0.888 0.030 . 1 . . . . 48 LEU HD1 . 10274 1 500 . 1 1 48 48 LEU HD12 H 1 0.888 0.030 . 1 . . . . 48 LEU HD1 . 10274 1 501 . 1 1 48 48 LEU HD13 H 1 0.888 0.030 . 1 . . . . 48 LEU HD1 . 10274 1 502 . 1 1 48 48 LEU HD21 H 1 0.814 0.030 . 1 . . . . 48 LEU HD2 . 10274 1 503 . 1 1 48 48 LEU HD22 H 1 0.814 0.030 . 1 . . . . 48 LEU HD2 . 10274 1 504 . 1 1 48 48 LEU HD23 H 1 0.814 0.030 . 1 . . . . 48 LEU HD2 . 10274 1 505 . 1 1 48 48 LEU HG H 1 1.449 0.030 . 1 . . . . 48 LEU HG . 10274 1 506 . 1 1 48 48 LEU C C 13 176.668 0.300 . 1 . . . . 48 LEU C . 10274 1 507 . 1 1 48 48 LEU CA C 13 54.470 0.300 . 1 . . . . 48 LEU CA . 10274 1 508 . 1 1 48 48 LEU CB C 13 41.445 0.300 . 1 . . . . 48 LEU CB . 10274 1 509 . 1 1 48 48 LEU CD1 C 13 24.919 0.300 . 2 . . . . 48 LEU CD1 . 10274 1 510 . 1 1 48 48 LEU CD2 C 13 22.685 0.300 . 2 . . . . 48 LEU CD2 . 10274 1 511 . 1 1 48 48 LEU CG C 13 26.572 0.300 . 1 . . . . 48 LEU CG . 10274 1 512 . 1 1 48 48 LEU N N 15 120.348 0.300 . 1 . . . . 48 LEU N . 10274 1 513 . 1 1 49 49 GLY H H 1 7.889 0.030 . 1 . . . . 49 GLY H . 10274 1 514 . 1 1 49 49 GLY HA2 H 1 4.266 0.030 . 2 . . . . 49 GLY HA2 . 10274 1 515 . 1 1 49 49 GLY HA3 H 1 3.965 0.030 . 2 . . . . 49 GLY HA3 . 10274 1 516 . 1 1 49 49 GLY C C 13 170.653 0.300 . 1 . . . . 49 GLY C . 10274 1 517 . 1 1 49 49 GLY CA C 13 44.151 0.300 . 1 . . . . 49 GLY CA . 10274 1 518 . 1 1 49 49 GLY N N 15 108.892 0.300 . 1 . . . . 49 GLY N . 10274 1 519 . 1 1 50 50 PRO HA H 1 4.483 0.030 . 1 . . . . 50 PRO HA . 10274 1 520 . 1 1 50 50 PRO HB2 H 1 2.249 0.030 . 2 . . . . 50 PRO HB2 . 10274 1 521 . 1 1 50 50 PRO HB3 H 1 1.845 0.030 . 2 . . . . 50 PRO HB3 . 10274 1 522 . 1 1 50 50 PRO HD2 H 1 3.610 0.030 . 1 . . . . 50 PRO HD2 . 10274 1 523 . 1 1 50 50 PRO HD3 H 1 3.610 0.030 . 1 . . . . 50 PRO HD3 . 10274 1 524 . 1 1 50 50 PRO HG2 H 1 2.030 0.030 . 2 . . . . 50 PRO HG2 . 10274 1 525 . 1 1 50 50 PRO HG3 H 1 1.981 0.030 . 2 . . . . 50 PRO HG3 . 10274 1 526 . 1 1 50 50 PRO C C 13 176.143 0.300 . 1 . . . . 50 PRO C . 10274 1 527 . 1 1 50 50 PRO CA C 13 62.639 0.300 . 1 . . . . 50 PRO CA . 10274 1 528 . 1 1 50 50 PRO CB C 13 32.575 0.300 . 1 . . . . 50 PRO CB . 10274 1 529 . 1 1 50 50 PRO CD C 13 49.800 0.300 . 1 . . . . 50 PRO CD . 10274 1 530 . 1 1 50 50 PRO CG C 13 27.053 0.300 . 1 . . . . 50 PRO CG . 10274 1 531 . 1 1 51 51 GLU H H 1 8.463 0.030 . 1 . . . . 51 GLU H . 10274 1 532 . 1 1 51 51 GLU HA H 1 4.560 0.030 . 1 . . . . 51 GLU HA . 10274 1 533 . 1 1 51 51 GLU HB2 H 1 1.886 0.030 . 1 . . . . 51 GLU HB2 . 10274 1 534 . 1 1 51 51 GLU HB3 H 1 1.886 0.030 . 1 . . . . 51 GLU HB3 . 10274 1 535 . 1 1 51 51 GLU HG2 H 1 2.082 0.030 . 2 . . . . 51 GLU HG2 . 10274 1 536 . 1 1 51 51 GLU HG3 H 1 2.044 0.030 . 2 . . . . 51 GLU HG3 . 10274 1 537 . 1 1 51 51 GLU C C 13 175.792 0.300 . 1 . . . . 51 GLU C . 10274 1 538 . 1 1 51 51 GLU CA C 13 55.516 0.300 . 1 . . . . 51 GLU CA . 10274 1 539 . 1 1 51 51 GLU CB C 13 31.305 0.300 . 1 . . . . 51 GLU CB . 10274 1 540 . 1 1 51 51 GLU CG C 13 37.025 0.300 . 1 . . . . 51 GLU CG . 10274 1 541 . 1 1 51 51 GLU N N 15 121.175 0.300 . 1 . . . . 51 GLU N . 10274 1 542 . 1 1 52 52 LYS H H 1 8.180 0.030 . 1 . . . . 52 LYS H . 10274 1 543 . 1 1 52 52 LYS HA H 1 4.511 0.030 . 1 . . . . 52 LYS HA . 10274 1 544 . 1 1 52 52 LYS HB2 H 1 1.455 0.030 . 2 . . . . 52 LYS HB2 . 10274 1 545 . 1 1 52 52 LYS HB3 H 1 0.527 0.030 . 2 . . . . 52 LYS HB3 . 10274 1 546 . 1 1 52 52 LYS HD2 H 1 1.626 0.030 . 2 . . . . 52 LYS HD2 . 10274 1 547 . 1 1 52 52 LYS HD3 H 1 1.584 0.030 . 2 . . . . 52 LYS HD3 . 10274 1 548 . 1 1 52 52 LYS HE2 H 1 2.948 0.030 . 1 . . . . 52 LYS HE2 . 10274 1 549 . 1 1 52 52 LYS HE3 H 1 2.948 0.030 . 1 . . . . 52 LYS HE3 . 10274 1 550 . 1 1 52 52 LYS HG2 H 1 1.221 0.030 . 2 . . . . 52 LYS HG2 . 10274 1 551 . 1 1 52 52 LYS HG3 H 1 1.135 0.030 . 2 . . . . 52 LYS HG3 . 10274 1 552 . 1 1 52 52 LYS C C 13 174.000 0.300 . 1 . . . . 52 LYS C . 10274 1 553 . 1 1 52 52 LYS CA C 13 54.952 0.300 . 1 . . . . 52 LYS CA . 10274 1 554 . 1 1 52 52 LYS CB C 13 36.101 0.300 . 1 . . . . 52 LYS CB . 10274 1 555 . 1 1 52 52 LYS CD C 13 29.114 0.300 . 1 . . . . 52 LYS CD . 10274 1 556 . 1 1 52 52 LYS CE C 13 42.313 0.300 . 1 . . . . 52 LYS CE . 10274 1 557 . 1 1 52 52 LYS CG C 13 25.786 0.300 . 1 . . . . 52 LYS CG . 10274 1 558 . 1 1 52 52 LYS N N 15 125.598 0.300 . 1 . . . . 52 LYS N . 10274 1 559 . 1 1 53 53 SER H H 1 8.087 0.030 . 1 . . . . 53 SER H . 10274 1 560 . 1 1 53 53 SER HA H 1 5.637 0.030 . 1 . . . . 53 SER HA . 10274 1 561 . 1 1 53 53 SER HB2 H 1 3.190 0.030 . 1 . . . . 53 SER HB2 . 10274 1 562 . 1 1 53 53 SER HB3 H 1 3.190 0.030 . 1 . . . . 53 SER HB3 . 10274 1 563 . 1 1 53 53 SER C C 13 173.704 0.300 . 1 . . . . 53 SER C . 10274 1 564 . 1 1 53 53 SER CA C 13 56.662 0.300 . 1 . . . . 53 SER CA . 10274 1 565 . 1 1 53 53 SER CB C 13 67.219 0.300 . 1 . . . . 53 SER CB . 10274 1 566 . 1 1 53 53 SER N N 15 112.778 0.300 . 1 . . . . 53 SER N . 10274 1 567 . 1 1 54 54 VAL H H 1 8.940 0.030 . 1 . . . . 54 VAL H . 10274 1 568 . 1 1 54 54 VAL HA H 1 4.314 0.030 . 1 . . . . 54 VAL HA . 10274 1 569 . 1 1 54 54 VAL HB H 1 2.075 0.030 . 1 . . . . 54 VAL HB . 10274 1 570 . 1 1 54 54 VAL HG11 H 1 0.936 0.030 . 1 . . . . 54 VAL HG1 . 10274 1 571 . 1 1 54 54 VAL HG12 H 1 0.936 0.030 . 1 . . . . 54 VAL HG1 . 10274 1 572 . 1 1 54 54 VAL HG13 H 1 0.936 0.030 . 1 . . . . 54 VAL HG1 . 10274 1 573 . 1 1 54 54 VAL HG21 H 1 0.898 0.030 . 1 . . . . 54 VAL HG2 . 10274 1 574 . 1 1 54 54 VAL HG22 H 1 0.898 0.030 . 1 . . . . 54 VAL HG2 . 10274 1 575 . 1 1 54 54 VAL HG23 H 1 0.898 0.030 . 1 . . . . 54 VAL HG2 . 10274 1 576 . 1 1 54 54 VAL C C 13 172.304 0.300 . 1 . . . . 54 VAL C . 10274 1 577 . 1 1 54 54 VAL CA C 13 60.506 0.300 . 1 . . . . 54 VAL CA . 10274 1 578 . 1 1 54 54 VAL CB C 13 36.121 0.300 . 1 . . . . 54 VAL CB . 10274 1 579 . 1 1 54 54 VAL CG1 C 13 20.907 0.300 . 2 . . . . 54 VAL CG1 . 10274 1 580 . 1 1 54 54 VAL CG2 C 13 21.198 0.300 . 2 . . . . 54 VAL CG2 . 10274 1 581 . 1 1 54 54 VAL N N 15 119.961 0.300 . 1 . . . . 54 VAL N . 10274 1 582 . 1 1 55 55 SER H H 1 8.180 0.030 . 1 . . . . 55 SER H . 10274 1 583 . 1 1 55 55 SER HA H 1 5.461 0.030 . 1 . . . . 55 SER HA . 10274 1 584 . 1 1 55 55 SER HB2 H 1 3.737 0.030 . 1 . . . . 55 SER HB2 . 10274 1 585 . 1 1 55 55 SER HB3 H 1 3.737 0.030 . 1 . . . . 55 SER HB3 . 10274 1 586 . 1 1 55 55 SER C C 13 174.870 0.300 . 1 . . . . 55 SER C . 10274 1 587 . 1 1 55 55 SER CA C 13 56.065 0.300 . 1 . . . . 55 SER CA . 10274 1 588 . 1 1 55 55 SER CB C 13 64.094 0.300 . 1 . . . . 55 SER CB . 10274 1 589 . 1 1 55 55 SER N N 15 117.963 0.300 . 1 . . . . 55 SER N . 10274 1 590 . 1 1 56 56 VAL H H 1 9.201 0.030 . 1 . . . . 56 VAL H . 10274 1 591 . 1 1 56 56 VAL HA H 1 4.780 0.030 . 1 . . . . 56 VAL HA . 10274 1 592 . 1 1 56 56 VAL HB H 1 2.217 0.030 . 1 . . . . 56 VAL HB . 10274 1 593 . 1 1 56 56 VAL HG11 H 1 1.001 0.030 . 1 . . . . 56 VAL HG1 . 10274 1 594 . 1 1 56 56 VAL HG12 H 1 1.001 0.030 . 1 . . . . 56 VAL HG1 . 10274 1 595 . 1 1 56 56 VAL HG13 H 1 1.001 0.030 . 1 . . . . 56 VAL HG1 . 10274 1 596 . 1 1 56 56 VAL HG21 H 1 1.274 0.030 . 1 . . . . 56 VAL HG2 . 10274 1 597 . 1 1 56 56 VAL HG22 H 1 1.274 0.030 . 1 . . . . 56 VAL HG2 . 10274 1 598 . 1 1 56 56 VAL HG23 H 1 1.274 0.030 . 1 . . . . 56 VAL HG2 . 10274 1 599 . 1 1 56 56 VAL C C 13 173.446 0.300 . 1 . . . . 56 VAL C . 10274 1 600 . 1 1 56 56 VAL CA C 13 58.760 0.300 . 1 . . . . 56 VAL CA . 10274 1 601 . 1 1 56 56 VAL CB C 13 35.954 0.300 . 1 . . . . 56 VAL CB . 10274 1 602 . 1 1 56 56 VAL CG1 C 13 21.523 0.300 . 2 . . . . 56 VAL CG1 . 10274 1 603 . 1 1 56 56 VAL CG2 C 13 20.653 0.300 . 2 . . . . 56 VAL CG2 . 10274 1 604 . 1 1 56 56 VAL N N 15 127.863 0.300 . 1 . . . . 56 VAL N . 10274 1 605 . 1 1 57 57 PRO HA H 1 4.582 0.030 . 1 . . . . 57 PRO HA . 10274 1 606 . 1 1 57 57 PRO HB2 H 1 2.651 0.030 . 2 . . . . 57 PRO HB2 . 10274 1 607 . 1 1 57 57 PRO HB3 H 1 1.985 0.030 . 2 . . . . 57 PRO HB3 . 10274 1 608 . 1 1 57 57 PRO HD2 H 1 4.120 0.030 . 2 . . . . 57 PRO HD2 . 10274 1 609 . 1 1 57 57 PRO HD3 H 1 3.719 0.030 . 2 . . . . 57 PRO HD3 . 10274 1 610 . 1 1 57 57 PRO HG2 H 1 2.162 0.030 . 1 . . . . 57 PRO HG2 . 10274 1 611 . 1 1 57 57 PRO HG3 H 1 2.162 0.030 . 1 . . . . 57 PRO HG3 . 10274 1 612 . 1 1 57 57 PRO C C 13 176.776 0.300 . 1 . . . . 57 PRO C . 10274 1 613 . 1 1 57 57 PRO CA C 13 64.226 0.300 . 1 . . . . 57 PRO CA . 10274 1 614 . 1 1 57 57 PRO CB C 13 33.063 0.300 . 1 . . . . 57 PRO CB . 10274 1 615 . 1 1 57 57 PRO CD C 13 51.738 0.300 . 1 . . . . 57 PRO CD . 10274 1 616 . 1 1 57 57 PRO CG C 13 27.877 0.300 . 1 . . . . 57 PRO CG . 10274 1 617 . 1 1 58 58 GLY H H 1 7.663 0.030 . 1 . . . . 58 GLY H . 10274 1 618 . 1 1 58 58 GLY HA2 H 1 3.684 0.030 . 2 . . . . 58 GLY HA2 . 10274 1 619 . 1 1 58 58 GLY HA3 H 1 3.620 0.030 . 2 . . . . 58 GLY HA3 . 10274 1 620 . 1 1 58 58 GLY C C 13 173.755 0.300 . 1 . . . . 58 GLY C . 10274 1 621 . 1 1 58 58 GLY CA C 13 46.877 0.300 . 1 . . . . 58 GLY CA . 10274 1 622 . 1 1 58 58 GLY N N 15 106.964 0.300 . 1 . . . . 58 GLY N . 10274 1 623 . 1 1 59 59 ALA H H 1 7.900 0.030 . 1 . . . . 59 ALA H . 10274 1 624 . 1 1 59 59 ALA HA H 1 4.516 0.030 . 1 . . . . 59 ALA HA . 10274 1 625 . 1 1 59 59 ALA HB1 H 1 1.493 0.030 . 1 . . . . 59 ALA HB . 10274 1 626 . 1 1 59 59 ALA HB2 H 1 1.493 0.030 . 1 . . . . 59 ALA HB . 10274 1 627 . 1 1 59 59 ALA HB3 H 1 1.493 0.030 . 1 . . . . 59 ALA HB . 10274 1 628 . 1 1 59 59 ALA C C 13 178.104 0.300 . 1 . . . . 59 ALA C . 10274 1 629 . 1 1 59 59 ALA CA C 13 52.713 0.300 . 1 . . . . 59 ALA CA . 10274 1 630 . 1 1 59 59 ALA CB C 13 19.380 0.300 . 1 . . . . 59 ALA CB . 10274 1 631 . 1 1 59 59 ALA N N 15 119.932 0.300 . 1 . . . . 59 ALA N . 10274 1 632 . 1 1 60 60 ARG H H 1 8.306 0.030 . 1 . . . . 60 ARG H . 10274 1 633 . 1 1 60 60 ARG HA H 1 4.559 0.030 . 1 . . . . 60 ARG HA . 10274 1 634 . 1 1 60 60 ARG HB2 H 1 2.077 0.030 . 2 . . . . 60 ARG HB2 . 10274 1 635 . 1 1 60 60 ARG HB3 H 1 1.818 0.030 . 2 . . . . 60 ARG HB3 . 10274 1 636 . 1 1 60 60 ARG HD2 H 1 3.223 0.030 . 2 . . . . 60 ARG HD2 . 10274 1 637 . 1 1 60 60 ARG HD3 H 1 3.194 0.030 . 2 . . . . 60 ARG HD3 . 10274 1 638 . 1 1 60 60 ARG HG2 H 1 1.709 0.030 . 2 . . . . 60 ARG HG2 . 10274 1 639 . 1 1 60 60 ARG HG3 H 1 1.651 0.030 . 2 . . . . 60 ARG HG3 . 10274 1 640 . 1 1 60 60 ARG C C 13 174.842 0.300 . 1 . . . . 60 ARG C . 10274 1 641 . 1 1 60 60 ARG CA C 13 55.357 0.300 . 1 . . . . 60 ARG CA . 10274 1 642 . 1 1 60 60 ARG CB C 13 32.823 0.300 . 1 . . . . 60 ARG CB . 10274 1 643 . 1 1 60 60 ARG CD C 13 43.235 0.300 . 1 . . . . 60 ARG CD . 10274 1 644 . 1 1 60 60 ARG CG C 13 27.795 0.300 . 1 . . . . 60 ARG CG . 10274 1 645 . 1 1 60 60 ARG N N 15 118.739 0.300 . 1 . . . . 60 ARG N . 10274 1 646 . 1 1 61 61 SER H H 1 8.229 0.030 . 1 . . . . 61 SER H . 10274 1 647 . 1 1 61 61 SER HA H 1 3.709 0.030 . 1 . . . . 61 SER HA . 10274 1 648 . 1 1 61 61 SER HB2 H 1 3.775 0.030 . 2 . . . . 61 SER HB2 . 10274 1 649 . 1 1 61 61 SER HB3 H 1 3.321 0.030 . 2 . . . . 61 SER HB3 . 10274 1 650 . 1 1 61 61 SER C C 13 170.973 0.300 . 1 . . . . 61 SER C . 10274 1 651 . 1 1 61 61 SER CA C 13 56.045 0.300 . 1 . . . . 61 SER CA . 10274 1 652 . 1 1 61 61 SER CB C 13 63.329 0.300 . 1 . . . . 61 SER CB . 10274 1 653 . 1 1 61 61 SER N N 15 110.956 0.300 . 1 . . . . 61 SER N . 10274 1 654 . 1 1 62 62 HIS H H 1 6.458 0.030 . 1 . . . . 62 HIS H . 10274 1 655 . 1 1 62 62 HIS HA H 1 4.626 0.030 . 1 . . . . 62 HIS HA . 10274 1 656 . 1 1 62 62 HIS HB2 H 1 2.800 0.030 . 1 . . . . 62 HIS HB2 . 10274 1 657 . 1 1 62 62 HIS HB3 H 1 2.800 0.030 . 1 . . . . 62 HIS HB3 . 10274 1 658 . 1 1 62 62 HIS HD2 H 1 6.784 0.030 . 1 . . . . 62 HIS HD2 . 10274 1 659 . 1 1 62 62 HIS HE1 H 1 7.768 0.030 . 1 . . . . 62 HIS HE1 . 10274 1 660 . 1 1 62 62 HIS C C 13 173.581 0.300 . 1 . . . . 62 HIS C . 10274 1 661 . 1 1 62 62 HIS CA C 13 54.494 0.300 . 1 . . . . 62 HIS CA . 10274 1 662 . 1 1 62 62 HIS CB C 13 32.485 0.300 . 1 . . . . 62 HIS CB . 10274 1 663 . 1 1 62 62 HIS CD2 C 13 120.568 0.300 . 1 . . . . 62 HIS CD2 . 10274 1 664 . 1 1 62 62 HIS CE1 C 13 137.673 0.300 . 1 . . . . 62 HIS CE1 . 10274 1 665 . 1 1 62 62 HIS N N 15 113.571 0.300 . 1 . . . . 62 HIS N . 10274 1 666 . 1 1 63 63 VAL H H 1 8.794 0.030 . 1 . . . . 63 VAL H . 10274 1 667 . 1 1 63 63 VAL HA H 1 4.325 0.030 . 1 . . . . 63 VAL HA . 10274 1 668 . 1 1 63 63 VAL HB H 1 2.136 0.030 . 1 . . . . 63 VAL HB . 10274 1 669 . 1 1 63 63 VAL HG11 H 1 0.966 0.030 . 1 . . . . 63 VAL HG1 . 10274 1 670 . 1 1 63 63 VAL HG12 H 1 0.966 0.030 . 1 . . . . 63 VAL HG1 . 10274 1 671 . 1 1 63 63 VAL HG13 H 1 0.966 0.030 . 1 . . . . 63 VAL HG1 . 10274 1 672 . 1 1 63 63 VAL HG21 H 1 0.785 0.030 . 1 . . . . 63 VAL HG2 . 10274 1 673 . 1 1 63 63 VAL HG22 H 1 0.785 0.030 . 1 . . . . 63 VAL HG2 . 10274 1 674 . 1 1 63 63 VAL HG23 H 1 0.785 0.030 . 1 . . . . 63 VAL HG2 . 10274 1 675 . 1 1 63 63 VAL C C 13 171.906 0.300 . 1 . . . . 63 VAL C . 10274 1 676 . 1 1 63 63 VAL CA C 13 61.052 0.300 . 1 . . . . 63 VAL CA . 10274 1 677 . 1 1 63 63 VAL CB C 13 34.800 0.300 . 1 . . . . 63 VAL CB . 10274 1 678 . 1 1 63 63 VAL CG1 C 13 21.531 0.300 . 2 . . . . 63 VAL CG1 . 10274 1 679 . 1 1 63 63 VAL CG2 C 13 20.330 0.300 . 2 . . . . 63 VAL CG2 . 10274 1 680 . 1 1 63 63 VAL N N 15 118.122 0.300 . 1 . . . . 63 VAL N . 10274 1 681 . 1 1 64 64 THR H H 1 8.316 0.030 . 1 . . . . 64 THR H . 10274 1 682 . 1 1 64 64 THR HA H 1 4.970 0.030 . 1 . . . . 64 THR HA . 10274 1 683 . 1 1 64 64 THR HB H 1 3.893 0.030 . 1 . . . . 64 THR HB . 10274 1 684 . 1 1 64 64 THR HG21 H 1 0.967 0.030 . 1 . . . . 64 THR HG2 . 10274 1 685 . 1 1 64 64 THR HG22 H 1 0.967 0.030 . 1 . . . . 64 THR HG2 . 10274 1 686 . 1 1 64 64 THR HG23 H 1 0.967 0.030 . 1 . . . . 64 THR HG2 . 10274 1 687 . 1 1 64 64 THR C C 13 173.412 0.300 . 1 . . . . 64 THR C . 10274 1 688 . 1 1 64 64 THR CA C 13 61.775 0.300 . 1 . . . . 64 THR CA . 10274 1 689 . 1 1 64 64 THR CB C 13 69.851 0.300 . 1 . . . . 64 THR CB . 10274 1 690 . 1 1 64 64 THR CG2 C 13 21.943 0.300 . 1 . . . . 64 THR CG2 . 10274 1 691 . 1 1 64 64 THR N N 15 122.871 0.300 . 1 . . . . 64 THR N . 10274 1 692 . 1 1 65 65 LEU H H 1 9.348 0.030 . 1 . . . . 65 LEU H . 10274 1 693 . 1 1 65 65 LEU HA H 1 4.584 0.030 . 1 . . . . 65 LEU HA . 10274 1 694 . 1 1 65 65 LEU HB2 H 1 1.534 0.030 . 2 . . . . 65 LEU HB2 . 10274 1 695 . 1 1 65 65 LEU HB3 H 1 0.413 0.030 . 2 . . . . 65 LEU HB3 . 10274 1 696 . 1 1 65 65 LEU HD11 H 1 -0.082 0.030 . 1 . . . . 65 LEU HD1 . 10274 1 697 . 1 1 65 65 LEU HD12 H 1 -0.082 0.030 . 1 . . . . 65 LEU HD1 . 10274 1 698 . 1 1 65 65 LEU HD13 H 1 -0.082 0.030 . 1 . . . . 65 LEU HD1 . 10274 1 699 . 1 1 65 65 LEU HD21 H 1 0.260 0.030 . 1 . . . . 65 LEU HD2 . 10274 1 700 . 1 1 65 65 LEU HD22 H 1 0.260 0.030 . 1 . . . . 65 LEU HD2 . 10274 1 701 . 1 1 65 65 LEU HD23 H 1 0.260 0.030 . 1 . . . . 65 LEU HD2 . 10274 1 702 . 1 1 65 65 LEU HG H 1 1.297 0.030 . 1 . . . . 65 LEU HG . 10274 1 703 . 1 1 65 65 LEU C C 13 173.397 0.300 . 1 . . . . 65 LEU C . 10274 1 704 . 1 1 65 65 LEU CA C 13 50.297 0.300 . 1 . . . . 65 LEU CA . 10274 1 705 . 1 1 65 65 LEU CB C 13 41.547 0.300 . 1 . . . . 65 LEU CB . 10274 1 706 . 1 1 65 65 LEU CD1 C 13 24.595 0.300 . 2 . . . . 65 LEU CD1 . 10274 1 707 . 1 1 65 65 LEU CD2 C 13 21.915 0.300 . 2 . . . . 65 LEU CD2 . 10274 1 708 . 1 1 65 65 LEU CG C 13 25.634 0.300 . 1 . . . . 65 LEU CG . 10274 1 709 . 1 1 65 65 LEU N N 15 129.778 0.300 . 1 . . . . 65 LEU N . 10274 1 710 . 1 1 66 66 PRO HA H 1 4.868 0.030 . 1 . . . . 66 PRO HA . 10274 1 711 . 1 1 66 66 PRO HB2 H 1 1.936 0.030 . 2 . . . . 66 PRO HB2 . 10274 1 712 . 1 1 66 66 PRO HB3 H 1 1.887 0.030 . 2 . . . . 66 PRO HB3 . 10274 1 713 . 1 1 66 66 PRO HD2 H 1 3.878 0.030 . 2 . . . . 66 PRO HD2 . 10274 1 714 . 1 1 66 66 PRO HD3 H 1 3.508 0.030 . 2 . . . . 66 PRO HD3 . 10274 1 715 . 1 1 66 66 PRO HG2 H 1 2.017 0.030 . 2 . . . . 66 PRO HG2 . 10274 1 716 . 1 1 66 66 PRO HG3 H 1 1.791 0.030 . 2 . . . . 66 PRO HG3 . 10274 1 717 . 1 1 66 66 PRO C C 13 175.188 0.300 . 1 . . . . 66 PRO C . 10274 1 718 . 1 1 66 66 PRO CA C 13 61.370 0.300 . 1 . . . . 66 PRO CA . 10274 1 719 . 1 1 66 66 PRO CB C 13 33.700 0.300 . 1 . . . . 66 PRO CB . 10274 1 720 . 1 1 66 66 PRO CD C 13 49.508 0.300 . 1 . . . . 66 PRO CD . 10274 1 721 . 1 1 66 66 PRO CG C 13 25.487 0.300 . 1 . . . . 66 PRO CG . 10274 1 722 . 1 1 67 67 ASP H H 1 8.729 0.030 . 1 . . . . 67 ASP H . 10274 1 723 . 1 1 67 67 ASP HA H 1 4.333 0.030 . 1 . . . . 67 ASP HA . 10274 1 724 . 1 1 67 67 ASP HB2 H 1 2.899 0.030 . 2 . . . . 67 ASP HB2 . 10274 1 725 . 1 1 67 67 ASP HB3 H 1 2.620 0.030 . 2 . . . . 67 ASP HB3 . 10274 1 726 . 1 1 67 67 ASP C C 13 175.824 0.300 . 1 . . . . 67 ASP C . 10274 1 727 . 1 1 67 67 ASP CA C 13 55.181 0.300 . 1 . . . . 67 ASP CA . 10274 1 728 . 1 1 67 67 ASP CB C 13 39.225 0.300 . 1 . . . . 67 ASP CB . 10274 1 729 . 1 1 67 67 ASP N N 15 113.984 0.300 . 1 . . . . 67 ASP N . 10274 1 730 . 1 1 68 68 LEU H H 1 8.599 0.030 . 1 . . . . 68 LEU H . 10274 1 731 . 1 1 68 68 LEU HA H 1 4.414 0.030 . 1 . . . . 68 LEU HA . 10274 1 732 . 1 1 68 68 LEU HB2 H 1 1.297 0.030 . 2 . . . . 68 LEU HB2 . 10274 1 733 . 1 1 68 68 LEU HB3 H 1 0.996 0.030 . 2 . . . . 68 LEU HB3 . 10274 1 734 . 1 1 68 68 LEU HD11 H 1 -0.092 0.030 . 1 . . . . 68 LEU HD1 . 10274 1 735 . 1 1 68 68 LEU HD12 H 1 -0.092 0.030 . 1 . . . . 68 LEU HD1 . 10274 1 736 . 1 1 68 68 LEU HD13 H 1 -0.092 0.030 . 1 . . . . 68 LEU HD1 . 10274 1 737 . 1 1 68 68 LEU HD21 H 1 0.249 0.030 . 1 . . . . 68 LEU HD2 . 10274 1 738 . 1 1 68 68 LEU HD22 H 1 0.249 0.030 . 1 . . . . 68 LEU HD2 . 10274 1 739 . 1 1 68 68 LEU HD23 H 1 0.249 0.030 . 1 . . . . 68 LEU HD2 . 10274 1 740 . 1 1 68 68 LEU HG H 1 1.129 0.030 . 1 . . . . 68 LEU HG . 10274 1 741 . 1 1 68 68 LEU C C 13 176.487 0.300 . 1 . . . . 68 LEU C . 10274 1 742 . 1 1 68 68 LEU CA C 13 53.259 0.300 . 1 . . . . 68 LEU CA . 10274 1 743 . 1 1 68 68 LEU CB C 13 41.630 0.300 . 1 . . . . 68 LEU CB . 10274 1 744 . 1 1 68 68 LEU CD1 C 13 27.436 0.300 . 2 . . . . 68 LEU CD1 . 10274 1 745 . 1 1 68 68 LEU CD2 C 13 21.180 0.300 . 2 . . . . 68 LEU CD2 . 10274 1 746 . 1 1 68 68 LEU CG C 13 25.738 0.300 . 1 . . . . 68 LEU CG . 10274 1 747 . 1 1 68 68 LEU N N 15 118.102 0.300 . 1 . . . . 68 LEU N . 10274 1 748 . 1 1 69 69 GLN H H 1 8.114 0.030 . 1 . . . . 69 GLN H . 10274 1 749 . 1 1 69 69 GLN HA H 1 4.349 0.030 . 1 . . . . 69 GLN HA . 10274 1 750 . 1 1 69 69 GLN HB2 H 1 2.119 0.030 . 2 . . . . 69 GLN HB2 . 10274 1 751 . 1 1 69 69 GLN HB3 H 1 2.001 0.030 . 2 . . . . 69 GLN HB3 . 10274 1 752 . 1 1 69 69 GLN HE21 H 1 7.603 0.030 . 2 . . . . 69 GLN HE21 . 10274 1 753 . 1 1 69 69 GLN HE22 H 1 6.888 0.030 . 2 . . . . 69 GLN HE22 . 10274 1 754 . 1 1 69 69 GLN HG2 H 1 2.471 0.030 . 1 . . . . 69 GLN HG2 . 10274 1 755 . 1 1 69 69 GLN HG3 H 1 2.471 0.030 . 1 . . . . 69 GLN HG3 . 10274 1 756 . 1 1 69 69 GLN C C 13 175.669 0.300 . 1 . . . . 69 GLN C . 10274 1 757 . 1 1 69 69 GLN CA C 13 54.722 0.300 . 1 . . . . 69 GLN CA . 10274 1 758 . 1 1 69 69 GLN CB C 13 30.803 0.300 . 1 . . . . 69 GLN CB . 10274 1 759 . 1 1 69 69 GLN CG C 13 34.141 0.300 . 1 . . . . 69 GLN CG . 10274 1 760 . 1 1 69 69 GLN N N 15 118.191 0.300 . 1 . . . . 69 GLN N . 10274 1 761 . 1 1 69 69 GLN NE2 N 15 112.905 0.300 . 1 . . . . 69 GLN NE2 . 10274 1 762 . 1 1 70 70 ALA H H 1 8.240 0.030 . 1 . . . . 70 ALA H . 10274 1 763 . 1 1 70 70 ALA HA H 1 4.835 0.030 . 1 . . . . 70 ALA HA . 10274 1 764 . 1 1 70 70 ALA HB1 H 1 1.411 0.030 . 1 . . . . 70 ALA HB . 10274 1 765 . 1 1 70 70 ALA HB2 H 1 1.411 0.030 . 1 . . . . 70 ALA HB . 10274 1 766 . 1 1 70 70 ALA HB3 H 1 1.411 0.030 . 1 . . . . 70 ALA HB . 10274 1 767 . 1 1 70 70 ALA C C 13 178.720 0.300 . 1 . . . . 70 ALA C . 10274 1 768 . 1 1 70 70 ALA CA C 13 52.501 0.300 . 1 . . . . 70 ALA CA . 10274 1 769 . 1 1 70 70 ALA CB C 13 20.257 0.300 . 1 . . . . 70 ALA CB . 10274 1 770 . 1 1 70 70 ALA N N 15 124.989 0.300 . 1 . . . . 70 ALA N . 10274 1 771 . 1 1 71 71 ALA H H 1 8.003 0.030 . 1 . . . . 71 ALA H . 10274 1 772 . 1 1 71 71 ALA HA H 1 3.974 0.030 . 1 . . . . 71 ALA HA . 10274 1 773 . 1 1 71 71 ALA HB1 H 1 1.376 0.030 . 1 . . . . 71 ALA HB . 10274 1 774 . 1 1 71 71 ALA HB2 H 1 1.376 0.030 . 1 . . . . 71 ALA HB . 10274 1 775 . 1 1 71 71 ALA HB3 H 1 1.376 0.030 . 1 . . . . 71 ALA HB . 10274 1 776 . 1 1 71 71 ALA C C 13 176.118 0.300 . 1 . . . . 71 ALA C . 10274 1 777 . 1 1 71 71 ALA CA C 13 52.491 0.300 . 1 . . . . 71 ALA CA . 10274 1 778 . 1 1 71 71 ALA CB C 13 18.439 0.300 . 1 . . . . 71 ALA CB . 10274 1 779 . 1 1 71 71 ALA N N 15 128.133 0.300 . 1 . . . . 71 ALA N . 10274 1 780 . 1 1 72 72 THR H H 1 8.391 0.030 . 1 . . . . 72 THR H . 10274 1 781 . 1 1 72 72 THR HA H 1 4.563 0.030 . 1 . . . . 72 THR HA . 10274 1 782 . 1 1 72 72 THR HB H 1 3.920 0.030 . 1 . . . . 72 THR HB . 10274 1 783 . 1 1 72 72 THR HG21 H 1 0.761 0.030 . 1 . . . . 72 THR HG2 . 10274 1 784 . 1 1 72 72 THR HG22 H 1 0.761 0.030 . 1 . . . . 72 THR HG2 . 10274 1 785 . 1 1 72 72 THR HG23 H 1 0.761 0.030 . 1 . . . . 72 THR HG2 . 10274 1 786 . 1 1 72 72 THR C C 13 172.643 0.300 . 1 . . . . 72 THR C . 10274 1 787 . 1 1 72 72 THR CA C 13 62.856 0.300 . 1 . . . . 72 THR CA . 10274 1 788 . 1 1 72 72 THR CB C 13 71.924 0.300 . 1 . . . . 72 THR CB . 10274 1 789 . 1 1 72 72 THR CG2 C 13 19.582 0.300 . 1 . . . . 72 THR CG2 . 10274 1 790 . 1 1 72 72 THR N N 15 114.280 0.300 . 1 . . . . 72 THR N . 10274 1 791 . 1 1 73 73 LYS H H 1 8.691 0.030 . 1 . . . . 73 LYS H . 10274 1 792 . 1 1 73 73 LYS HA H 1 4.846 0.030 . 1 . . . . 73 LYS HA . 10274 1 793 . 1 1 73 73 LYS HB2 H 1 1.755 0.030 . 2 . . . . 73 LYS HB2 . 10274 1 794 . 1 1 73 73 LYS HB3 H 1 1.542 0.030 . 2 . . . . 73 LYS HB3 . 10274 1 795 . 1 1 73 73 LYS HD2 H 1 1.606 0.030 . 1 . . . . 73 LYS HD2 . 10274 1 796 . 1 1 73 73 LYS HD3 H 1 1.606 0.030 . 1 . . . . 73 LYS HD3 . 10274 1 797 . 1 1 73 73 LYS HE2 H 1 2.907 0.030 . 1 . . . . 73 LYS HE2 . 10274 1 798 . 1 1 73 73 LYS HE3 H 1 2.907 0.030 . 1 . . . . 73 LYS HE3 . 10274 1 799 . 1 1 73 73 LYS HG2 H 1 1.499 0.030 . 2 . . . . 73 LYS HG2 . 10274 1 800 . 1 1 73 73 LYS HG3 H 1 1.162 0.030 . 2 . . . . 73 LYS HG3 . 10274 1 801 . 1 1 73 73 LYS C C 13 176.405 0.300 . 1 . . . . 73 LYS C . 10274 1 802 . 1 1 73 73 LYS CA C 13 55.992 0.300 . 1 . . . . 73 LYS CA . 10274 1 803 . 1 1 73 73 LYS CB C 13 33.535 0.300 . 1 . . . . 73 LYS CB . 10274 1 804 . 1 1 73 73 LYS CD C 13 29.443 0.300 . 1 . . . . 73 LYS CD . 10274 1 805 . 1 1 73 73 LYS CE C 13 41.860 0.300 . 1 . . . . 73 LYS CE . 10274 1 806 . 1 1 73 73 LYS CG C 13 25.880 0.300 . 1 . . . . 73 LYS CG . 10274 1 807 . 1 1 73 73 LYS N N 15 125.989 0.300 . 1 . . . . 73 LYS N . 10274 1 808 . 1 1 74 74 TYR H H 1 9.569 0.030 . 1 . . . . 74 TYR H . 10274 1 809 . 1 1 74 74 TYR HA H 1 4.758 0.030 . 1 . . . . 74 TYR HA . 10274 1 810 . 1 1 74 74 TYR HB2 H 1 2.548 0.030 . 1 . . . . 74 TYR HB2 . 10274 1 811 . 1 1 74 74 TYR HB3 H 1 2.548 0.030 . 1 . . . . 74 TYR HB3 . 10274 1 812 . 1 1 74 74 TYR HD1 H 1 6.950 0.030 . 1 . . . . 74 TYR HD1 . 10274 1 813 . 1 1 74 74 TYR HD2 H 1 6.950 0.030 . 1 . . . . 74 TYR HD2 . 10274 1 814 . 1 1 74 74 TYR HE1 H 1 6.901 0.030 . 1 . . . . 74 TYR HE1 . 10274 1 815 . 1 1 74 74 TYR HE2 H 1 6.901 0.030 . 1 . . . . 74 TYR HE2 . 10274 1 816 . 1 1 74 74 TYR C C 13 173.567 0.300 . 1 . . . . 74 TYR C . 10274 1 817 . 1 1 74 74 TYR CA C 13 58.778 0.300 . 1 . . . . 74 TYR CA . 10274 1 818 . 1 1 74 74 TYR CB C 13 42.667 0.300 . 1 . . . . 74 TYR CB . 10274 1 819 . 1 1 74 74 TYR CD1 C 13 132.492 0.300 . 1 . . . . 74 TYR CD1 . 10274 1 820 . 1 1 74 74 TYR CD2 C 13 132.492 0.300 . 1 . . . . 74 TYR CD2 . 10274 1 821 . 1 1 74 74 TYR CE1 C 13 118.502 0.300 . 1 . . . . 74 TYR CE1 . 10274 1 822 . 1 1 74 74 TYR CE2 C 13 118.502 0.300 . 1 . . . . 74 TYR CE2 . 10274 1 823 . 1 1 74 74 TYR N N 15 126.436 0.300 . 1 . . . . 74 TYR N . 10274 1 824 . 1 1 75 75 ARG H H 1 9.005 0.030 . 1 . . . . 75 ARG H . 10274 1 825 . 1 1 75 75 ARG HA H 1 5.053 0.030 . 1 . . . . 75 ARG HA . 10274 1 826 . 1 1 75 75 ARG HB2 H 1 1.839 0.030 . 2 . . . . 75 ARG HB2 . 10274 1 827 . 1 1 75 75 ARG HB3 H 1 1.513 0.030 . 2 . . . . 75 ARG HB3 . 10274 1 828 . 1 1 75 75 ARG HD2 H 1 3.149 0.030 . 2 . . . . 75 ARG HD2 . 10274 1 829 . 1 1 75 75 ARG HD3 H 1 3.113 0.030 . 2 . . . . 75 ARG HD3 . 10274 1 830 . 1 1 75 75 ARG HG2 H 1 1.540 0.030 . 2 . . . . 75 ARG HG2 . 10274 1 831 . 1 1 75 75 ARG HG3 H 1 1.396 0.030 . 2 . . . . 75 ARG HG3 . 10274 1 832 . 1 1 75 75 ARG C C 13 175.042 0.300 . 1 . . . . 75 ARG C . 10274 1 833 . 1 1 75 75 ARG CA C 13 55.027 0.300 . 1 . . . . 75 ARG CA . 10274 1 834 . 1 1 75 75 ARG CB C 13 32.284 0.300 . 1 . . . . 75 ARG CB . 10274 1 835 . 1 1 75 75 ARG CD C 13 43.289 0.300 . 1 . . . . 75 ARG CD . 10274 1 836 . 1 1 75 75 ARG CG C 13 27.630 0.300 . 1 . . . . 75 ARG CG . 10274 1 837 . 1 1 75 75 ARG N N 15 121.560 0.300 . 1 . . . . 75 ARG N . 10274 1 838 . 1 1 76 76 VAL H H 1 9.127 0.030 . 1 . . . . 76 VAL H . 10274 1 839 . 1 1 76 76 VAL HA H 1 4.977 0.030 . 1 . . . . 76 VAL HA . 10274 1 840 . 1 1 76 76 VAL HB H 1 1.861 0.030 . 1 . . . . 76 VAL HB . 10274 1 841 . 1 1 76 76 VAL HG11 H 1 0.834 0.030 . 1 . . . . 76 VAL HG1 . 10274 1 842 . 1 1 76 76 VAL HG12 H 1 0.834 0.030 . 1 . . . . 76 VAL HG1 . 10274 1 843 . 1 1 76 76 VAL HG13 H 1 0.834 0.030 . 1 . . . . 76 VAL HG1 . 10274 1 844 . 1 1 76 76 VAL HG21 H 1 0.762 0.030 . 1 . . . . 76 VAL HG2 . 10274 1 845 . 1 1 76 76 VAL HG22 H 1 0.762 0.030 . 1 . . . . 76 VAL HG2 . 10274 1 846 . 1 1 76 76 VAL HG23 H 1 0.762 0.030 . 1 . . . . 76 VAL HG2 . 10274 1 847 . 1 1 76 76 VAL C C 13 173.144 0.300 . 1 . . . . 76 VAL C . 10274 1 848 . 1 1 76 76 VAL CA C 13 60.876 0.300 . 1 . . . . 76 VAL CA . 10274 1 849 . 1 1 76 76 VAL CB C 13 34.922 0.300 . 1 . . . . 76 VAL CB . 10274 1 850 . 1 1 76 76 VAL CG1 C 13 21.338 0.300 . 2 . . . . 76 VAL CG1 . 10274 1 851 . 1 1 76 76 VAL CG2 C 13 21.356 0.300 . 2 . . . . 76 VAL CG2 . 10274 1 852 . 1 1 76 76 VAL N N 15 127.571 0.300 . 1 . . . . 76 VAL N . 10274 1 853 . 1 1 77 77 LEU H H 1 9.083 0.030 . 1 . . . . 77 LEU H . 10274 1 854 . 1 1 77 77 LEU HA H 1 5.350 0.030 . 1 . . . . 77 LEU HA . 10274 1 855 . 1 1 77 77 LEU HB2 H 1 1.695 0.030 . 2 . . . . 77 LEU HB2 . 10274 1 856 . 1 1 77 77 LEU HB3 H 1 1.421 0.030 . 2 . . . . 77 LEU HB3 . 10274 1 857 . 1 1 77 77 LEU HD11 H 1 0.773 0.030 . 1 . . . . 77 LEU HD1 . 10274 1 858 . 1 1 77 77 LEU HD12 H 1 0.773 0.030 . 1 . . . . 77 LEU HD1 . 10274 1 859 . 1 1 77 77 LEU HD13 H 1 0.773 0.030 . 1 . . . . 77 LEU HD1 . 10274 1 860 . 1 1 77 77 LEU HD21 H 1 0.768 0.030 . 1 . . . . 77 LEU HD2 . 10274 1 861 . 1 1 77 77 LEU HD22 H 1 0.768 0.030 . 1 . . . . 77 LEU HD2 . 10274 1 862 . 1 1 77 77 LEU HD23 H 1 0.768 0.030 . 1 . . . . 77 LEU HD2 . 10274 1 863 . 1 1 77 77 LEU HG H 1 1.488 0.030 . 1 . . . . 77 LEU HG . 10274 1 864 . 1 1 77 77 LEU C C 13 176.622 0.300 . 1 . . . . 77 LEU C . 10274 1 865 . 1 1 77 77 LEU CA C 13 53.911 0.300 . 1 . . . . 77 LEU CA . 10274 1 866 . 1 1 77 77 LEU CB C 13 44.959 0.300 . 1 . . . . 77 LEU CB . 10274 1 867 . 1 1 77 77 LEU CD1 C 13 24.966 0.300 . 2 . . . . 77 LEU CD1 . 10274 1 868 . 1 1 77 77 LEU CD2 C 13 25.405 0.300 . 2 . . . . 77 LEU CD2 . 10274 1 869 . 1 1 77 77 LEU CG C 13 28.684 0.300 . 1 . . . . 77 LEU CG . 10274 1 870 . 1 1 77 77 LEU N N 15 127.310 0.300 . 1 . . . . 77 LEU N . 10274 1 871 . 1 1 78 78 VAL H H 1 8.918 0.030 . 1 . . . . 78 VAL H . 10274 1 872 . 1 1 78 78 VAL HA H 1 4.890 0.030 . 1 . . . . 78 VAL HA . 10274 1 873 . 1 1 78 78 VAL HB H 1 1.408 0.030 . 1 . . . . 78 VAL HB . 10274 1 874 . 1 1 78 78 VAL HG11 H 1 0.413 0.030 . 1 . . . . 78 VAL HG1 . 10274 1 875 . 1 1 78 78 VAL HG12 H 1 0.413 0.030 . 1 . . . . 78 VAL HG1 . 10274 1 876 . 1 1 78 78 VAL HG13 H 1 0.413 0.030 . 1 . . . . 78 VAL HG1 . 10274 1 877 . 1 1 78 78 VAL HG21 H 1 -0.034 0.030 . 1 . . . . 78 VAL HG2 . 10274 1 878 . 1 1 78 78 VAL HG22 H 1 -0.034 0.030 . 1 . . . . 78 VAL HG2 . 10274 1 879 . 1 1 78 78 VAL HG23 H 1 -0.034 0.030 . 1 . . . . 78 VAL HG2 . 10274 1 880 . 1 1 78 78 VAL C C 13 174.235 0.300 . 1 . . . . 78 VAL C . 10274 1 881 . 1 1 78 78 VAL CA C 13 61.193 0.300 . 1 . . . . 78 VAL CA . 10274 1 882 . 1 1 78 78 VAL CB C 13 34.718 0.300 . 1 . . . . 78 VAL CB . 10274 1 883 . 1 1 78 78 VAL CG1 C 13 22.071 0.300 . 2 . . . . 78 VAL CG1 . 10274 1 884 . 1 1 78 78 VAL CG2 C 13 21.065 0.300 . 2 . . . . 78 VAL CG2 . 10274 1 885 . 1 1 78 78 VAL N N 15 119.228 0.300 . 1 . . . . 78 VAL N . 10274 1 886 . 1 1 79 79 SER H H 1 8.598 0.030 . 1 . . . . 79 SER H . 10274 1 887 . 1 1 79 79 SER HA H 1 4.725 0.030 . 1 . . . . 79 SER HA . 10274 1 888 . 1 1 79 79 SER HB2 H 1 3.680 0.030 . 1 . . . . 79 SER HB2 . 10274 1 889 . 1 1 79 79 SER HB3 H 1 3.680 0.030 . 1 . . . . 79 SER HB3 . 10274 1 890 . 1 1 79 79 SER C C 13 172.877 0.300 . 1 . . . . 79 SER C . 10274 1 891 . 1 1 79 79 SER CA C 13 56.680 0.300 . 1 . . . . 79 SER CA . 10274 1 892 . 1 1 79 79 SER CB C 13 65.806 0.300 . 1 . . . . 79 SER CB . 10274 1 893 . 1 1 79 79 SER N N 15 119.664 0.300 . 1 . . . . 79 SER N . 10274 1 894 . 1 1 80 80 ALA H H 1 8.939 0.030 . 1 . . . . 80 ALA H . 10274 1 895 . 1 1 80 80 ALA HA H 1 4.325 0.030 . 1 . . . . 80 ALA HA . 10274 1 896 . 1 1 80 80 ALA HB1 H 1 1.127 0.030 . 1 . . . . 80 ALA HB . 10274 1 897 . 1 1 80 80 ALA HB2 H 1 1.127 0.030 . 1 . . . . 80 ALA HB . 10274 1 898 . 1 1 80 80 ALA HB3 H 1 1.127 0.030 . 1 . . . . 80 ALA HB . 10274 1 899 . 1 1 80 80 ALA C C 13 174.050 0.300 . 1 . . . . 80 ALA C . 10274 1 900 . 1 1 80 80 ALA CA C 13 51.126 0.300 . 1 . . . . 80 ALA CA . 10274 1 901 . 1 1 80 80 ALA CB C 13 21.990 0.300 . 1 . . . . 80 ALA CB . 10274 1 902 . 1 1 80 80 ALA N N 15 126.283 0.300 . 1 . . . . 80 ALA N . 10274 1 903 . 1 1 81 81 ILE H H 1 8.424 0.030 . 1 . . . . 81 ILE H . 10274 1 904 . 1 1 81 81 ILE HA H 1 4.116 0.030 . 1 . . . . 81 ILE HA . 10274 1 905 . 1 1 81 81 ILE HB H 1 1.254 0.030 . 1 . . . . 81 ILE HB . 10274 1 906 . 1 1 81 81 ILE HD11 H 1 0.582 0.030 . 1 . . . . 81 ILE HD1 . 10274 1 907 . 1 1 81 81 ILE HD12 H 1 0.582 0.030 . 1 . . . . 81 ILE HD1 . 10274 1 908 . 1 1 81 81 ILE HD13 H 1 0.582 0.030 . 1 . . . . 81 ILE HD1 . 10274 1 909 . 1 1 81 81 ILE HG12 H 1 1.089 0.030 . 2 . . . . 81 ILE HG12 . 10274 1 910 . 1 1 81 81 ILE HG13 H 1 1.036 0.030 . 2 . . . . 81 ILE HG13 . 10274 1 911 . 1 1 81 81 ILE HG21 H 1 0.701 0.030 . 1 . . . . 81 ILE HG2 . 10274 1 912 . 1 1 81 81 ILE HG22 H 1 0.701 0.030 . 1 . . . . 81 ILE HG2 . 10274 1 913 . 1 1 81 81 ILE HG23 H 1 0.701 0.030 . 1 . . . . 81 ILE HG2 . 10274 1 914 . 1 1 81 81 ILE C C 13 173.862 0.300 . 1 . . . . 81 ILE C . 10274 1 915 . 1 1 81 81 ILE CA C 13 61.175 0.300 . 1 . . . . 81 ILE CA . 10274 1 916 . 1 1 81 81 ILE CB C 13 36.015 0.300 . 1 . . . . 81 ILE CB . 10274 1 917 . 1 1 81 81 ILE CD1 C 13 12.154 0.300 . 1 . . . . 81 ILE CD1 . 10274 1 918 . 1 1 81 81 ILE CG1 C 13 28.529 0.300 . 1 . . . . 81 ILE CG1 . 10274 1 919 . 1 1 81 81 ILE CG2 C 13 18.797 0.300 . 1 . . . . 81 ILE CG2 . 10274 1 920 . 1 1 81 81 ILE N N 15 123.033 0.300 . 1 . . . . 81 ILE N . 10274 1 921 . 1 1 82 82 TYR H H 1 8.377 0.030 . 1 . . . . 82 TYR H . 10274 1 922 . 1 1 82 82 TYR HA H 1 4.681 0.030 . 1 . . . . 82 TYR HA . 10274 1 923 . 1 1 82 82 TYR HB2 H 1 3.354 0.030 . 2 . . . . 82 TYR HB2 . 10274 1 924 . 1 1 82 82 TYR HB3 H 1 2.836 0.030 . 2 . . . . 82 TYR HB3 . 10274 1 925 . 1 1 82 82 TYR HD1 H 1 7.008 0.030 . 1 . . . . 82 TYR HD1 . 10274 1 926 . 1 1 82 82 TYR HD2 H 1 7.008 0.030 . 1 . . . . 82 TYR HD2 . 10274 1 927 . 1 1 82 82 TYR HE1 H 1 6.364 0.030 . 1 . . . . 82 TYR HE1 . 10274 1 928 . 1 1 82 82 TYR HE2 H 1 6.364 0.030 . 1 . . . . 82 TYR HE2 . 10274 1 929 . 1 1 82 82 TYR C C 13 176.146 0.300 . 1 . . . . 82 TYR C . 10274 1 930 . 1 1 82 82 TYR CA C 13 56.309 0.300 . 1 . . . . 82 TYR CA . 10274 1 931 . 1 1 82 82 TYR CB C 13 40.734 0.300 . 1 . . . . 82 TYR CB . 10274 1 932 . 1 1 82 82 TYR CD1 C 13 133.650 0.300 . 1 . . . . 82 TYR CD1 . 10274 1 933 . 1 1 82 82 TYR CD2 C 13 133.650 0.300 . 1 . . . . 82 TYR CD2 . 10274 1 934 . 1 1 82 82 TYR CE1 C 13 117.328 0.300 . 1 . . . . 82 TYR CE1 . 10274 1 935 . 1 1 82 82 TYR CE2 C 13 117.328 0.300 . 1 . . . . 82 TYR CE2 . 10274 1 936 . 1 1 82 82 TYR N N 15 125.168 0.300 . 1 . . . . 82 TYR N . 10274 1 937 . 1 1 83 83 ALA H H 1 9.437 0.030 . 1 . . . . 83 ALA H . 10274 1 938 . 1 1 83 83 ALA HA H 1 4.059 0.030 . 1 . . . . 83 ALA HA . 10274 1 939 . 1 1 83 83 ALA HB1 H 1 1.486 0.030 . 1 . . . . 83 ALA HB . 10274 1 940 . 1 1 83 83 ALA HB2 H 1 1.486 0.030 . 1 . . . . 83 ALA HB . 10274 1 941 . 1 1 83 83 ALA HB3 H 1 1.486 0.030 . 1 . . . . 83 ALA HB . 10274 1 942 . 1 1 83 83 ALA C C 13 179.312 0.300 . 1 . . . . 83 ALA C . 10274 1 943 . 1 1 83 83 ALA CA C 13 55.729 0.300 . 1 . . . . 83 ALA CA . 10274 1 944 . 1 1 83 83 ALA CB C 13 17.613 0.300 . 1 . . . . 83 ALA CB . 10274 1 945 . 1 1 83 83 ALA N N 15 125.234 0.300 . 1 . . . . 83 ALA N . 10274 1 946 . 1 1 84 84 ALA H H 1 7.823 0.030 . 1 . . . . 84 ALA H . 10274 1 947 . 1 1 84 84 ALA HA H 1 4.434 0.030 . 1 . . . . 84 ALA HA . 10274 1 948 . 1 1 84 84 ALA HB1 H 1 1.324 0.030 . 1 . . . . 84 ALA HB . 10274 1 949 . 1 1 84 84 ALA HB2 H 1 1.324 0.030 . 1 . . . . 84 ALA HB . 10274 1 950 . 1 1 84 84 ALA HB3 H 1 1.324 0.030 . 1 . . . . 84 ALA HB . 10274 1 951 . 1 1 84 84 ALA C C 13 176.808 0.300 . 1 . . . . 84 ALA C . 10274 1 952 . 1 1 84 84 ALA CA C 13 51.936 0.300 . 1 . . . . 84 ALA CA . 10274 1 953 . 1 1 84 84 ALA CB C 13 19.514 0.300 . 1 . . . . 84 ALA CB . 10274 1 954 . 1 1 84 84 ALA N N 15 114.587 0.300 . 1 . . . . 84 ALA N . 10274 1 955 . 1 1 85 85 GLY H H 1 7.366 0.030 . 1 . . . . 85 GLY H . 10274 1 956 . 1 1 85 85 GLY HA2 H 1 4.362 0.030 . 2 . . . . 85 GLY HA2 . 10274 1 957 . 1 1 85 85 GLY HA3 H 1 3.835 0.030 . 2 . . . . 85 GLY HA3 . 10274 1 958 . 1 1 85 85 GLY C C 13 171.544 0.300 . 1 . . . . 85 GLY C . 10274 1 959 . 1 1 85 85 GLY CA C 13 44.576 0.300 . 1 . . . . 85 GLY CA . 10274 1 960 . 1 1 85 85 GLY N N 15 105.342 0.300 . 1 . . . . 85 GLY N . 10274 1 961 . 1 1 86 86 ARG H H 1 8.626 0.030 . 1 . . . . 86 ARG H . 10274 1 962 . 1 1 86 86 ARG HA H 1 5.263 0.030 . 1 . . . . 86 ARG HA . 10274 1 963 . 1 1 86 86 ARG HB2 H 1 1.875 0.030 . 2 . . . . 86 ARG HB2 . 10274 1 964 . 1 1 86 86 ARG HB3 H 1 1.813 0.030 . 2 . . . . 86 ARG HB3 . 10274 1 965 . 1 1 86 86 ARG HD2 H 1 3.121 0.030 . 2 . . . . 86 ARG HD2 . 10274 1 966 . 1 1 86 86 ARG HD3 H 1 3.039 0.030 . 2 . . . . 86 ARG HD3 . 10274 1 967 . 1 1 86 86 ARG HG2 H 1 1.778 0.030 . 2 . . . . 86 ARG HG2 . 10274 1 968 . 1 1 86 86 ARG HG3 H 1 1.553 0.030 . 2 . . . . 86 ARG HG3 . 10274 1 969 . 1 1 86 86 ARG C C 13 176.925 0.300 . 1 . . . . 86 ARG C . 10274 1 970 . 1 1 86 86 ARG CA C 13 54.863 0.300 . 1 . . . . 86 ARG CA . 10274 1 971 . 1 1 86 86 ARG CB C 13 33.491 0.300 . 1 . . . . 86 ARG CB . 10274 1 972 . 1 1 86 86 ARG CD C 13 43.941 0.300 . 1 . . . . 86 ARG CD . 10274 1 973 . 1 1 86 86 ARG CG C 13 26.229 0.300 . 1 . . . . 86 ARG CG . 10274 1 974 . 1 1 86 86 ARG N N 15 118.147 0.300 . 1 . . . . 86 ARG N . 10274 1 975 . 1 1 87 87 SER H H 1 9.496 0.030 . 1 . . . . 87 SER H . 10274 1 976 . 1 1 87 87 SER HA H 1 4.747 0.030 . 1 . . . . 87 SER HA . 10274 1 977 . 1 1 87 87 SER HB2 H 1 4.366 0.030 . 2 . . . . 87 SER HB2 . 10274 1 978 . 1 1 87 87 SER HB3 H 1 3.897 0.030 . 2 . . . . 87 SER HB3 . 10274 1 979 . 1 1 87 87 SER C C 13 174.538 0.300 . 1 . . . . 87 SER C . 10274 1 980 . 1 1 87 87 SER CA C 13 58.284 0.300 . 1 . . . . 87 SER CA . 10274 1 981 . 1 1 87 87 SER CB C 13 67.271 0.300 . 1 . . . . 87 SER CB . 10274 1 982 . 1 1 87 87 SER N N 15 119.835 0.300 . 1 . . . . 87 SER N . 10274 1 983 . 1 1 88 88 GLU H H 1 9.058 0.030 . 1 . . . . 88 GLU H . 10274 1 984 . 1 1 88 88 GLU HA H 1 4.342 0.030 . 1 . . . . 88 GLU HA . 10274 1 985 . 1 1 88 88 GLU HB2 H 1 2.154 0.030 . 2 . . . . 88 GLU HB2 . 10274 1 986 . 1 1 88 88 GLU HB3 H 1 2.002 0.030 . 2 . . . . 88 GLU HB3 . 10274 1 987 . 1 1 88 88 GLU HG2 H 1 2.395 0.030 . 1 . . . . 88 GLU HG2 . 10274 1 988 . 1 1 88 88 GLU HG3 H 1 2.395 0.030 . 1 . . . . 88 GLU HG3 . 10274 1 989 . 1 1 88 88 GLU C C 13 176.157 0.300 . 1 . . . . 88 GLU C . 10274 1 990 . 1 1 88 88 GLU CA C 13 56.874 0.300 . 1 . . . . 88 GLU CA . 10274 1 991 . 1 1 88 88 GLU CB C 13 30.350 0.300 . 1 . . . . 88 GLU CB . 10274 1 992 . 1 1 88 88 GLU CG C 13 36.381 0.300 . 1 . . . . 88 GLU CG . 10274 1 993 . 1 1 88 88 GLU N N 15 119.700 0.300 . 1 . . . . 88 GLU N . 10274 1 994 . 1 1 89 89 ALA H H 1 8.674 0.030 . 1 . . . . 89 ALA H . 10274 1 995 . 1 1 89 89 ALA HA H 1 4.918 0.030 . 1 . . . . 89 ALA HA . 10274 1 996 . 1 1 89 89 ALA HB1 H 1 1.260 0.030 . 1 . . . . 89 ALA HB . 10274 1 997 . 1 1 89 89 ALA HB2 H 1 1.260 0.030 . 1 . . . . 89 ALA HB . 10274 1 998 . 1 1 89 89 ALA HB3 H 1 1.260 0.030 . 1 . . . . 89 ALA HB . 10274 1 999 . 1 1 89 89 ALA C C 13 178.887 0.300 . 1 . . . . 89 ALA C . 10274 1 1000 . 1 1 89 89 ALA CA C 13 51.340 0.300 . 1 . . . . 89 ALA CA . 10274 1 1001 . 1 1 89 89 ALA CB C 13 20.130 0.300 . 1 . . . . 89 ALA CB . 10274 1 1002 . 1 1 89 89 ALA N N 15 125.485 0.300 . 1 . . . . 89 ALA N . 10274 1 1003 . 1 1 90 90 VAL H H 1 8.621 0.030 . 1 . . . . 90 VAL H . 10274 1 1004 . 1 1 90 90 VAL HA H 1 4.562 0.030 . 1 . . . . 90 VAL HA . 10274 1 1005 . 1 1 90 90 VAL HB H 1 2.135 0.030 . 1 . . . . 90 VAL HB . 10274 1 1006 . 1 1 90 90 VAL HG11 H 1 1.022 0.030 . 1 . . . . 90 VAL HG1 . 10274 1 1007 . 1 1 90 90 VAL HG12 H 1 1.022 0.030 . 1 . . . . 90 VAL HG1 . 10274 1 1008 . 1 1 90 90 VAL HG13 H 1 1.022 0.030 . 1 . . . . 90 VAL HG1 . 10274 1 1009 . 1 1 90 90 VAL HG21 H 1 0.973 0.030 . 1 . . . . 90 VAL HG2 . 10274 1 1010 . 1 1 90 90 VAL HG22 H 1 0.973 0.030 . 1 . . . . 90 VAL HG2 . 10274 1 1011 . 1 1 90 90 VAL HG23 H 1 0.973 0.030 . 1 . . . . 90 VAL HG2 . 10274 1 1012 . 1 1 90 90 VAL C C 13 174.251 0.300 . 1 . . . . 90 VAL C . 10274 1 1013 . 1 1 90 90 VAL CA C 13 60.365 0.300 . 1 . . . . 90 VAL CA . 10274 1 1014 . 1 1 90 90 VAL CB C 13 33.770 0.300 . 1 . . . . 90 VAL CB . 10274 1 1015 . 1 1 90 90 VAL CG1 C 13 22.145 0.300 . 2 . . . . 90 VAL CG1 . 10274 1 1016 . 1 1 90 90 VAL CG2 C 13 20.488 0.300 . 2 . . . . 90 VAL CG2 . 10274 1 1017 . 1 1 90 90 VAL N N 15 119.440 0.300 . 1 . . . . 90 VAL N . 10274 1 1018 . 1 1 91 91 SER H H 1 8.373 0.030 . 1 . . . . 91 SER H . 10274 1 1019 . 1 1 91 91 SER HA H 1 5.877 0.030 . 1 . . . . 91 SER HA . 10274 1 1020 . 1 1 91 91 SER HB2 H 1 3.687 0.030 . 1 . . . . 91 SER HB2 . 10274 1 1021 . 1 1 91 91 SER HB3 H 1 3.687 0.030 . 1 . . . . 91 SER HB3 . 10274 1 1022 . 1 1 91 91 SER C C 13 174.245 0.300 . 1 . . . . 91 SER C . 10274 1 1023 . 1 1 91 91 SER CA C 13 56.109 0.300 . 1 . . . . 91 SER CA . 10274 1 1024 . 1 1 91 91 SER CB C 13 67.620 0.300 . 1 . . . . 91 SER CB . 10274 1 1025 . 1 1 91 91 SER N N 15 116.084 0.300 . 1 . . . . 91 SER N . 10274 1 1026 . 1 1 92 92 ALA H H 1 8.900 0.030 . 1 . . . . 92 ALA H . 10274 1 1027 . 1 1 92 92 ALA HA H 1 4.681 0.030 . 1 . . . . 92 ALA HA . 10274 1 1028 . 1 1 92 92 ALA HB1 H 1 1.327 0.030 . 1 . . . . 92 ALA HB . 10274 1 1029 . 1 1 92 92 ALA HB2 H 1 1.327 0.030 . 1 . . . . 92 ALA HB . 10274 1 1030 . 1 1 92 92 ALA HB3 H 1 1.327 0.030 . 1 . . . . 92 ALA HB . 10274 1 1031 . 1 1 92 92 ALA C C 13 175.187 0.300 . 1 . . . . 92 ALA C . 10274 1 1032 . 1 1 92 92 ALA CA C 13 51.990 0.300 . 1 . . . . 92 ALA CA . 10274 1 1033 . 1 1 92 92 ALA CB C 13 23.056 0.300 . 1 . . . . 92 ALA CB . 10274 1 1034 . 1 1 92 92 ALA N N 15 123.885 0.300 . 1 . . . . 92 ALA N . 10274 1 1035 . 1 1 93 93 THR H H 1 8.466 0.030 . 1 . . . . 93 THR H . 10274 1 1036 . 1 1 93 93 THR HA H 1 5.623 0.030 . 1 . . . . 93 THR HA . 10274 1 1037 . 1 1 93 93 THR HB H 1 3.966 0.030 . 1 . . . . 93 THR HB . 10274 1 1038 . 1 1 93 93 THR HG21 H 1 1.128 0.030 . 1 . . . . 93 THR HG2 . 10274 1 1039 . 1 1 93 93 THR HG22 H 1 1.128 0.030 . 1 . . . . 93 THR HG2 . 10274 1 1040 . 1 1 93 93 THR HG23 H 1 1.128 0.030 . 1 . . . . 93 THR HG2 . 10274 1 1041 . 1 1 93 93 THR C C 13 174.366 0.300 . 1 . . . . 93 THR C . 10274 1 1042 . 1 1 93 93 THR CA C 13 60.154 0.300 . 1 . . . . 93 THR CA . 10274 1 1043 . 1 1 93 93 THR CB C 13 71.657 0.300 . 1 . . . . 93 THR CB . 10274 1 1044 . 1 1 93 93 THR CG2 C 13 21.202 0.300 . 1 . . . . 93 THR CG2 . 10274 1 1045 . 1 1 93 93 THR N N 15 112.591 0.300 . 1 . . . . 93 THR N . 10274 1 1046 . 1 1 94 94 GLY H H 1 8.657 0.030 . 1 . . . . 94 GLY H . 10274 1 1047 . 1 1 94 94 GLY HA2 H 1 4.483 0.030 . 2 . . . . 94 GLY HA2 . 10274 1 1048 . 1 1 94 94 GLY HA3 H 1 3.625 0.030 . 2 . . . . 94 GLY HA3 . 10274 1 1049 . 1 1 94 94 GLY C C 13 170.518 0.300 . 1 . . . . 94 GLY C . 10274 1 1050 . 1 1 94 94 GLY CA C 13 44.849 0.300 . 1 . . . . 94 GLY CA . 10274 1 1051 . 1 1 94 94 GLY N N 15 111.375 0.300 . 1 . . . . 94 GLY N . 10274 1 1052 . 1 1 95 95 GLN H H 1 8.667 0.030 . 1 . . . . 95 GLN H . 10274 1 1053 . 1 1 95 95 GLN HA H 1 5.491 0.030 . 1 . . . . 95 GLN HA . 10274 1 1054 . 1 1 95 95 GLN HB2 H 1 1.917 0.030 . 2 . . . . 95 GLN HB2 . 10274 1 1055 . 1 1 95 95 GLN HB3 H 1 1.821 0.030 . 2 . . . . 95 GLN HB3 . 10274 1 1056 . 1 1 95 95 GLN HE21 H 1 7.422 0.030 . 2 . . . . 95 GLN HE21 . 10274 1 1057 . 1 1 95 95 GLN HE22 H 1 6.797 0.030 . 2 . . . . 95 GLN HE22 . 10274 1 1058 . 1 1 95 95 GLN HG2 H 1 2.628 0.030 . 2 . . . . 95 GLN HG2 . 10274 1 1059 . 1 1 95 95 GLN HG3 H 1 1.898 0.030 . 2 . . . . 95 GLN HG3 . 10274 1 1060 . 1 1 95 95 GLN C C 13 176.226 0.300 . 1 . . . . 95 GLN C . 10274 1 1061 . 1 1 95 95 GLN CA C 13 54.000 0.300 . 1 . . . . 95 GLN CA . 10274 1 1062 . 1 1 95 95 GLN CB C 13 32.822 0.300 . 1 . . . . 95 GLN CB . 10274 1 1063 . 1 1 95 95 GLN CG C 13 33.701 0.300 . 1 . . . . 95 GLN CG . 10274 1 1064 . 1 1 95 95 GLN N N 15 120.893 0.300 . 1 . . . . 95 GLN N . 10274 1 1065 . 1 1 95 95 GLN NE2 N 15 111.083 0.300 . 1 . . . . 95 GLN NE2 . 10274 1 1066 . 1 1 96 96 THR H H 1 8.609 0.030 . 1 . . . . 96 THR H . 10274 1 1067 . 1 1 96 96 THR HA H 1 4.384 0.030 . 1 . . . . 96 THR HA . 10274 1 1068 . 1 1 96 96 THR HB H 1 4.681 0.030 . 1 . . . . 96 THR HB . 10274 1 1069 . 1 1 96 96 THR HG21 H 1 1.153 0.030 . 1 . . . . 96 THR HG2 . 10274 1 1070 . 1 1 96 96 THR HG22 H 1 1.153 0.030 . 1 . . . . 96 THR HG2 . 10274 1 1071 . 1 1 96 96 THR HG23 H 1 1.153 0.030 . 1 . . . . 96 THR HG2 . 10274 1 1072 . 1 1 96 96 THR C C 13 175.194 0.300 . 1 . . . . 96 THR C . 10274 1 1073 . 1 1 96 96 THR CA C 13 60.783 0.300 . 1 . . . . 96 THR CA . 10274 1 1074 . 1 1 96 96 THR CB C 13 70.198 0.300 . 1 . . . . 96 THR CB . 10274 1 1075 . 1 1 96 96 THR CG2 C 13 24.993 0.300 . 1 . . . . 96 THR CG2 . 10274 1 1076 . 1 1 96 96 THR N N 15 115.777 0.300 . 1 . . . . 96 THR N . 10274 1 1077 . 1 1 97 97 ALA H H 1 8.009 0.030 . 1 . . . . 97 ALA H . 10274 1 1078 . 1 1 97 97 ALA HA H 1 4.186 0.030 . 1 . . . . 97 ALA HA . 10274 1 1079 . 1 1 97 97 ALA HB1 H 1 1.042 0.030 . 1 . . . . 97 ALA HB . 10274 1 1080 . 1 1 97 97 ALA HB2 H 1 1.042 0.030 . 1 . . . . 97 ALA HB . 10274 1 1081 . 1 1 97 97 ALA HB3 H 1 1.042 0.030 . 1 . . . . 97 ALA HB . 10274 1 1082 . 1 1 97 97 ALA C C 13 176.174 0.300 . 1 . . . . 97 ALA C . 10274 1 1083 . 1 1 97 97 ALA CA C 13 52.077 0.300 . 1 . . . . 97 ALA CA . 10274 1 1084 . 1 1 97 97 ALA CB C 13 19.001 0.300 . 1 . . . . 97 ALA CB . 10274 1 1085 . 1 1 97 97 ALA N N 15 120.015 0.300 . 1 . . . . 97 ALA N . 10274 1 1086 . 1 1 98 98 CYS H H 1 8.239 0.030 . 1 . . . . 98 CYS H . 10274 1 1087 . 1 1 98 98 CYS HA H 1 4.705 0.030 . 1 . . . . 98 CYS HA . 10274 1 1088 . 1 1 98 98 CYS HB2 H 1 3.002 0.030 . 2 . . . . 98 CYS HB2 . 10274 1 1089 . 1 1 98 98 CYS HB3 H 1 2.865 0.030 . 2 . . . . 98 CYS HB3 . 10274 1 1090 . 1 1 98 98 CYS C C 13 173.203 0.300 . 1 . . . . 98 CYS C . 10274 1 1091 . 1 1 98 98 CYS CA C 13 56.644 0.300 . 1 . . . . 98 CYS CA . 10274 1 1092 . 1 1 98 98 CYS CB C 13 27.357 0.300 . 1 . . . . 98 CYS CB . 10274 1 1093 . 1 1 98 98 CYS N N 15 116.874 0.300 . 1 . . . . 98 CYS N . 10274 1 1094 . 1 1 99 99 PRO HA H 1 4.421 0.030 . 1 . . . . 99 PRO HA . 10274 1 1095 . 1 1 99 99 PRO HB2 H 1 2.262 0.030 . 2 . . . . 99 PRO HB2 . 10274 1 1096 . 1 1 99 99 PRO HB3 H 1 1.984 0.030 . 2 . . . . 99 PRO HB3 . 10274 1 1097 . 1 1 99 99 PRO HD2 H 1 3.878 0.030 . 2 . . . . 99 PRO HD2 . 10274 1 1098 . 1 1 99 99 PRO HD3 H 1 3.707 0.030 . 2 . . . . 99 PRO HD3 . 10274 1 1099 . 1 1 99 99 PRO HG2 H 1 2.010 0.030 . 2 . . . . 99 PRO HG2 . 10274 1 1100 . 1 1 99 99 PRO HG3 H 1 1.901 0.030 . 2 . . . . 99 PRO HG3 . 10274 1 1101 . 1 1 99 99 PRO CA C 13 63.337 0.300 . 1 . . . . 99 PRO CA . 10274 1 1102 . 1 1 99 99 PRO CB C 13 32.132 0.300 . 1 . . . . 99 PRO CB . 10274 1 1103 . 1 1 99 99 PRO CD C 13 50.809 0.300 . 1 . . . . 99 PRO CD . 10274 1 1104 . 1 1 99 99 PRO CG C 13 27.653 0.300 . 1 . . . . 99 PRO CG . 10274 1 1105 . 1 1 100 100 SER H H 1 8.463 0.030 . 1 . . . . 100 SER H . 10274 1 1106 . 1 1 100 100 SER HA H 1 4.470 0.030 . 1 . . . . 100 SER HA . 10274 1 1107 . 1 1 100 100 SER HB2 H 1 3.883 0.030 . 1 . . . . 100 SER HB2 . 10274 1 1108 . 1 1 100 100 SER HB3 H 1 3.883 0.030 . 1 . . . . 100 SER HB3 . 10274 1 1109 . 1 1 100 100 SER CA C 13 58.453 0.300 . 1 . . . . 100 SER CA . 10274 1 1110 . 1 1 100 100 SER CB C 13 64.023 0.300 . 1 . . . . 100 SER CB . 10274 1 1111 . 1 1 100 100 SER N N 15 116.426 0.300 . 1 . . . . 100 SER N . 10274 1 1112 . 1 1 101 101 GLY H H 1 8.237 0.030 . 1 . . . . 101 GLY H . 10274 1 1113 . 1 1 101 101 GLY HA2 H 1 4.165 0.030 . 2 . . . . 101 GLY HA2 . 10274 1 1114 . 1 1 101 101 GLY HA3 H 1 4.100 0.030 . 2 . . . . 101 GLY HA3 . 10274 1 1115 . 1 1 101 101 GLY CA C 13 44.647 0.300 . 1 . . . . 101 GLY CA . 10274 1 1116 . 1 1 101 101 GLY N N 15 110.731 0.300 . 1 . . . . 101 GLY N . 10274 1 1117 . 1 1 102 102 PRO HA H 1 4.484 0.030 . 1 . . . . 102 PRO HA . 10274 1 1118 . 1 1 102 102 PRO HB2 H 1 2.295 0.030 . 2 . . . . 102 PRO HB2 . 10274 1 1119 . 1 1 102 102 PRO HB3 H 1 1.982 0.030 . 2 . . . . 102 PRO HB3 . 10274 1 1120 . 1 1 102 102 PRO HD2 H 1 3.630 0.030 . 1 . . . . 102 PRO HD2 . 10274 1 1121 . 1 1 102 102 PRO HD3 H 1 3.630 0.030 . 1 . . . . 102 PRO HD3 . 10274 1 1122 . 1 1 102 102 PRO HG2 H 1 2.010 0.030 . 2 . . . . 102 PRO HG2 . 10274 1 1123 . 1 1 102 102 PRO CA C 13 63.069 0.300 . 1 . . . . 102 PRO CA . 10274 1 1124 . 1 1 102 102 PRO CB C 13 32.189 0.300 . 1 . . . . 102 PRO CB . 10274 1 1125 . 1 1 102 102 PRO CD C 13 49.798 0.300 . 1 . . . . 102 PRO CD . 10274 1 1126 . 1 1 102 102 PRO CG C 13 27.156 0.300 . 1 . . . . 102 PRO CG . 10274 1 1127 . 1 1 103 103 SER H H 1 8.540 0.030 . 1 . . . . 103 SER H . 10274 1 1128 . 1 1 103 103 SER N N 15 116.489 0.300 . 1 . . . . 103 SER N . 10274 1 stop_ save_