data_10271 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10271 _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 . . . 10271 2 N. Tochio . . . 10271 3 S. Koshiba . . . 10271 4 S. Watanabe . . . 10271 5 T. Harada . . . 10271 6 T. Kigawa . . . 10271 7 S. Yokoyama . . . 10271 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' 10271 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10271 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 403 10271 '15N chemical shifts' 89 10271 '1H chemical shifts' 614 10271 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 . 10271 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2EE3 'BMRB Entry Tracking System' 10271 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10271 _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 . . . 10271 1 2 N. Tochio . . . 10271 1 3 S. Koshiba . . . 10271 1 4 S. Watanabe . . . 10271 1 5 T. Harada . . . 10271 1 6 T. Kigawa . . . 10271 1 7 S. Yokoyama . . . 10271 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10271 _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 . . . 10271 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 2EE3 . . . . . . 10271 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10271 _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 ; GSSGSSGLAPPRHLGFSDVS HDAARVFWEGAPRPVRLVRV TYVSSEGGHSGQTEAPGNAT SAMLGPLSSSTTYTVRVTCL YPGGGSSTLTGRVTTKKAPS PSSGPSSG ; _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 108 _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 2EE3 . "Solution Structures Of The Fn3 Domain Of Human Collagen Alpha-1(Xx) Chain" . . . . . 100.00 108 100.00 100.00 3.55e-67 . . . . 10271 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' . 10271 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 . 10271 1 2 . SER . 10271 1 3 . SER . 10271 1 4 . GLY . 10271 1 5 . SER . 10271 1 6 . SER . 10271 1 7 . GLY . 10271 1 8 . LEU . 10271 1 9 . ALA . 10271 1 10 . PRO . 10271 1 11 . PRO . 10271 1 12 . ARG . 10271 1 13 . HIS . 10271 1 14 . LEU . 10271 1 15 . GLY . 10271 1 16 . PHE . 10271 1 17 . SER . 10271 1 18 . ASP . 10271 1 19 . VAL . 10271 1 20 . SER . 10271 1 21 . HIS . 10271 1 22 . ASP . 10271 1 23 . ALA . 10271 1 24 . ALA . 10271 1 25 . ARG . 10271 1 26 . VAL . 10271 1 27 . PHE . 10271 1 28 . TRP . 10271 1 29 . GLU . 10271 1 30 . GLY . 10271 1 31 . ALA . 10271 1 32 . PRO . 10271 1 33 . ARG . 10271 1 34 . PRO . 10271 1 35 . VAL . 10271 1 36 . ARG . 10271 1 37 . LEU . 10271 1 38 . VAL . 10271 1 39 . ARG . 10271 1 40 . VAL . 10271 1 41 . THR . 10271 1 42 . TYR . 10271 1 43 . VAL . 10271 1 44 . SER . 10271 1 45 . SER . 10271 1 46 . GLU . 10271 1 47 . GLY . 10271 1 48 . GLY . 10271 1 49 . HIS . 10271 1 50 . SER . 10271 1 51 . GLY . 10271 1 52 . GLN . 10271 1 53 . THR . 10271 1 54 . GLU . 10271 1 55 . ALA . 10271 1 56 . PRO . 10271 1 57 . GLY . 10271 1 58 . ASN . 10271 1 59 . ALA . 10271 1 60 . THR . 10271 1 61 . SER . 10271 1 62 . ALA . 10271 1 63 . MET . 10271 1 64 . LEU . 10271 1 65 . GLY . 10271 1 66 . PRO . 10271 1 67 . LEU . 10271 1 68 . SER . 10271 1 69 . SER . 10271 1 70 . SER . 10271 1 71 . THR . 10271 1 72 . THR . 10271 1 73 . TYR . 10271 1 74 . THR . 10271 1 75 . VAL . 10271 1 76 . ARG . 10271 1 77 . VAL . 10271 1 78 . THR . 10271 1 79 . CYS . 10271 1 80 . LEU . 10271 1 81 . TYR . 10271 1 82 . PRO . 10271 1 83 . GLY . 10271 1 84 . GLY . 10271 1 85 . GLY . 10271 1 86 . SER . 10271 1 87 . SER . 10271 1 88 . THR . 10271 1 89 . LEU . 10271 1 90 . THR . 10271 1 91 . GLY . 10271 1 92 . ARG . 10271 1 93 . VAL . 10271 1 94 . THR . 10271 1 95 . THR . 10271 1 96 . LYS . 10271 1 97 . LYS . 10271 1 98 . ALA . 10271 1 99 . PRO . 10271 1 100 . SER . 10271 1 101 . PRO . 10271 1 102 . SER . 10271 1 103 . SER . 10271 1 104 . GLY . 10271 1 105 . PRO . 10271 1 106 . SER . 10271 1 107 . SER . 10271 1 108 . GLY . 10271 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 10271 1 . SER 2 2 10271 1 . SER 3 3 10271 1 . GLY 4 4 10271 1 . SER 5 5 10271 1 . SER 6 6 10271 1 . GLY 7 7 10271 1 . LEU 8 8 10271 1 . ALA 9 9 10271 1 . PRO 10 10 10271 1 . PRO 11 11 10271 1 . ARG 12 12 10271 1 . HIS 13 13 10271 1 . LEU 14 14 10271 1 . GLY 15 15 10271 1 . PHE 16 16 10271 1 . SER 17 17 10271 1 . ASP 18 18 10271 1 . VAL 19 19 10271 1 . SER 20 20 10271 1 . HIS 21 21 10271 1 . ASP 22 22 10271 1 . ALA 23 23 10271 1 . ALA 24 24 10271 1 . ARG 25 25 10271 1 . VAL 26 26 10271 1 . PHE 27 27 10271 1 . TRP 28 28 10271 1 . GLU 29 29 10271 1 . GLY 30 30 10271 1 . ALA 31 31 10271 1 . PRO 32 32 10271 1 . ARG 33 33 10271 1 . PRO 34 34 10271 1 . VAL 35 35 10271 1 . ARG 36 36 10271 1 . LEU 37 37 10271 1 . VAL 38 38 10271 1 . ARG 39 39 10271 1 . VAL 40 40 10271 1 . THR 41 41 10271 1 . TYR 42 42 10271 1 . VAL 43 43 10271 1 . SER 44 44 10271 1 . SER 45 45 10271 1 . GLU 46 46 10271 1 . GLY 47 47 10271 1 . GLY 48 48 10271 1 . HIS 49 49 10271 1 . SER 50 50 10271 1 . GLY 51 51 10271 1 . GLN 52 52 10271 1 . THR 53 53 10271 1 . GLU 54 54 10271 1 . ALA 55 55 10271 1 . PRO 56 56 10271 1 . GLY 57 57 10271 1 . ASN 58 58 10271 1 . ALA 59 59 10271 1 . THR 60 60 10271 1 . SER 61 61 10271 1 . ALA 62 62 10271 1 . MET 63 63 10271 1 . LEU 64 64 10271 1 . GLY 65 65 10271 1 . PRO 66 66 10271 1 . LEU 67 67 10271 1 . SER 68 68 10271 1 . SER 69 69 10271 1 . SER 70 70 10271 1 . THR 71 71 10271 1 . THR 72 72 10271 1 . TYR 73 73 10271 1 . THR 74 74 10271 1 . VAL 75 75 10271 1 . ARG 76 76 10271 1 . VAL 77 77 10271 1 . THR 78 78 10271 1 . CYS 79 79 10271 1 . LEU 80 80 10271 1 . TYR 81 81 10271 1 . PRO 82 82 10271 1 . GLY 83 83 10271 1 . GLY 84 84 10271 1 . GLY 85 85 10271 1 . SER 86 86 10271 1 . SER 87 87 10271 1 . THR 88 88 10271 1 . LEU 89 89 10271 1 . THR 90 90 10271 1 . GLY 91 91 10271 1 . ARG 92 92 10271 1 . VAL 93 93 10271 1 . THR 94 94 10271 1 . THR 95 95 10271 1 . LYS 96 96 10271 1 . LYS 97 97 10271 1 . ALA 98 98 10271 1 . PRO 99 99 10271 1 . SER 100 100 10271 1 . PRO 101 101 10271 1 . SER 102 102 10271 1 . SER 103 103 10271 1 . GLY 104 104 10271 1 . PRO 105 105 10271 1 . SER 106 106 10271 1 . SER 107 107 10271 1 . GLY 108 108 10271 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 10271 _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 . . . . . . . . . . . . . . . . . . . . . 10271 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 10271 _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 . . P051216-01 . . . . . . 10271 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10271 _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 . . . . 10271 1 2 'd-Tris HCl' . . . . . . buffer 20 . . mM . . . . 10271 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10271 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10271 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10271 1 6 H2O . . . . . . solvent 90 . . % . . . . 10271 1 7 D2O . . . . . . solvent 10 . . % . . . . 10271 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 10271 _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 10271 1 pH 7.0 0.05 pH 10271 1 pressure 1 0.001 atm 10271 1 temperature 296 0.1 K 10271 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10271 _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 . . 10271 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10271 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10271 _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.' . . 10271 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10271 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10271 _Software.ID 3 _Software.Name NMRView _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10271 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10271 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10271 _Software.ID 4 _Software.Name Kujira _Software.Version 0.932 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10271 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10271 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10271 _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.' . . 10271 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10271 5 'structure solution' 10271 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 10271 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10271 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 900 . . . 10271 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 10271 _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 . . . . . . . . . . . . . . . . 10271 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10271 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 10271 _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 . . . . . . . . . 10271 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10271 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10271 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 10271 _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 10271 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10271 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 6 6 SER HA H 1 4.470 0.030 . 1 . . . . 6 SER HA . 10271 1 2 . 1 1 6 6 SER HB2 H 1 3.917 0.030 . 2 . . . . 6 SER HB2 . 10271 1 3 . 1 1 6 6 SER C C 13 175.031 0.300 . 1 . . . . 6 SER C . 10271 1 4 . 1 1 6 6 SER CA C 13 58.687 0.300 . 1 . . . . 6 SER CA . 10271 1 5 . 1 1 6 6 SER CB C 13 63.635 0.300 . 1 . . . . 6 SER CB . 10271 1 6 . 1 1 7 7 GLY H H 1 8.390 0.030 . 1 . . . . 7 GLY H . 10271 1 7 . 1 1 7 7 GLY HA2 H 1 3.941 0.030 . 1 . . . . 7 GLY HA2 . 10271 1 8 . 1 1 7 7 GLY HA3 H 1 3.941 0.030 . 1 . . . . 7 GLY HA3 . 10271 1 9 . 1 1 7 7 GLY C C 13 173.892 0.300 . 1 . . . . 7 GLY C . 10271 1 10 . 1 1 7 7 GLY CA C 13 45.348 0.300 . 1 . . . . 7 GLY CA . 10271 1 11 . 1 1 7 7 GLY N N 15 110.659 0.300 . 1 . . . . 7 GLY N . 10271 1 12 . 1 1 8 8 LEU H H 1 8.017 0.030 . 1 . . . . 8 LEU H . 10271 1 13 . 1 1 8 8 LEU HA H 1 4.347 0.030 . 1 . . . . 8 LEU HA . 10271 1 14 . 1 1 8 8 LEU HB2 H 1 1.582 0.030 . 2 . . . . 8 LEU HB2 . 10271 1 15 . 1 1 8 8 LEU HB3 H 1 1.523 0.030 . 2 . . . . 8 LEU HB3 . 10271 1 16 . 1 1 8 8 LEU HD11 H 1 0.897 0.030 . 1 . . . . 8 LEU HD1 . 10271 1 17 . 1 1 8 8 LEU HD12 H 1 0.897 0.030 . 1 . . . . 8 LEU HD1 . 10271 1 18 . 1 1 8 8 LEU HD13 H 1 0.897 0.030 . 1 . . . . 8 LEU HD1 . 10271 1 19 . 1 1 8 8 LEU HD21 H 1 0.839 0.030 . 1 . . . . 8 LEU HD2 . 10271 1 20 . 1 1 8 8 LEU HD22 H 1 0.839 0.030 . 1 . . . . 8 LEU HD2 . 10271 1 21 . 1 1 8 8 LEU HD23 H 1 0.839 0.030 . 1 . . . . 8 LEU HD2 . 10271 1 22 . 1 1 8 8 LEU HG H 1 1.572 0.030 . 1 . . . . 8 LEU HG . 10271 1 23 . 1 1 8 8 LEU C C 13 176.816 0.300 . 1 . . . . 8 LEU C . 10271 1 24 . 1 1 8 8 LEU CA C 13 54.760 0.300 . 1 . . . . 8 LEU CA . 10271 1 25 . 1 1 8 8 LEU CB C 13 42.565 0.300 . 1 . . . . 8 LEU CB . 10271 1 26 . 1 1 8 8 LEU CD1 C 13 24.942 0.300 . 2 . . . . 8 LEU CD1 . 10271 1 27 . 1 1 8 8 LEU CD2 C 13 23.369 0.300 . 2 . . . . 8 LEU CD2 . 10271 1 28 . 1 1 8 8 LEU CG C 13 26.896 0.300 . 1 . . . . 8 LEU CG . 10271 1 29 . 1 1 8 8 LEU N N 15 121.546 0.300 . 1 . . . . 8 LEU N . 10271 1 30 . 1 1 9 9 ALA H H 1 8.291 0.030 . 1 . . . . 9 ALA H . 10271 1 31 . 1 1 9 9 ALA HA H 1 4.589 0.030 . 1 . . . . 9 ALA HA . 10271 1 32 . 1 1 9 9 ALA HB1 H 1 1.340 0.030 . 1 . . . . 9 ALA HB . 10271 1 33 . 1 1 9 9 ALA HB2 H 1 1.340 0.030 . 1 . . . . 9 ALA HB . 10271 1 34 . 1 1 9 9 ALA HB3 H 1 1.340 0.030 . 1 . . . . 9 ALA HB . 10271 1 35 . 1 1 9 9 ALA C C 13 174.928 0.300 . 1 . . . . 9 ALA C . 10271 1 36 . 1 1 9 9 ALA CA C 13 50.381 0.300 . 1 . . . . 9 ALA CA . 10271 1 37 . 1 1 9 9 ALA CB C 13 18.293 0.300 . 1 . . . . 9 ALA CB . 10271 1 38 . 1 1 9 9 ALA N N 15 126.618 0.300 . 1 . . . . 9 ALA N . 10271 1 39 . 1 1 10 10 PRO HA H 1 4.708 0.030 . 1 . . . . 10 PRO HA . 10271 1 40 . 1 1 10 10 PRO HB2 H 1 2.351 0.030 . 2 . . . . 10 PRO HB2 . 10271 1 41 . 1 1 10 10 PRO HB3 H 1 1.926 0.030 . 2 . . . . 10 PRO HB3 . 10271 1 42 . 1 1 10 10 PRO HD2 H 1 3.801 0.030 . 2 . . . . 10 PRO HD2 . 10271 1 43 . 1 1 10 10 PRO HD3 H 1 3.623 0.030 . 2 . . . . 10 PRO HD3 . 10271 1 44 . 1 1 10 10 PRO HG2 H 1 2.025 0.030 . 2 . . . . 10 PRO HG2 . 10271 1 45 . 1 1 10 10 PRO CA C 13 61.347 0.300 . 1 . . . . 10 PRO CA . 10271 1 46 . 1 1 10 10 PRO CB C 13 30.783 0.300 . 1 . . . . 10 PRO CB . 10271 1 47 . 1 1 10 10 PRO CD C 13 50.359 0.300 . 1 . . . . 10 PRO CD . 10271 1 48 . 1 1 10 10 PRO CG C 13 27.395 0.300 . 1 . . . . 10 PRO CG . 10271 1 49 . 1 1 11 11 PRO HA H 1 4.442 0.030 . 1 . . . . 11 PRO HA . 10271 1 50 . 1 1 11 11 PRO HB2 H 1 2.296 0.030 . 2 . . . . 11 PRO HB2 . 10271 1 51 . 1 1 11 11 PRO HB3 H 1 1.939 0.030 . 2 . . . . 11 PRO HB3 . 10271 1 52 . 1 1 11 11 PRO HD2 H 1 3.780 0.030 . 2 . . . . 11 PRO HD2 . 10271 1 53 . 1 1 11 11 PRO HD3 H 1 3.691 0.030 . 2 . . . . 11 PRO HD3 . 10271 1 54 . 1 1 11 11 PRO HG2 H 1 2.025 0.030 . 1 . . . . 11 PRO HG2 . 10271 1 55 . 1 1 11 11 PRO HG3 H 1 2.025 0.030 . 1 . . . . 11 PRO HG3 . 10271 1 56 . 1 1 11 11 PRO C C 13 176.585 0.300 . 1 . . . . 11 PRO C . 10271 1 57 . 1 1 11 11 PRO CA C 13 63.016 0.300 . 1 . . . . 11 PRO CA . 10271 1 58 . 1 1 11 11 PRO CB C 13 32.096 0.300 . 1 . . . . 11 PRO CB . 10271 1 59 . 1 1 11 11 PRO CD C 13 50.690 0.300 . 1 . . . . 11 PRO CD . 10271 1 60 . 1 1 11 11 PRO CG C 13 27.385 0.300 . 1 . . . . 11 PRO CG . 10271 1 61 . 1 1 12 12 ARG H H 1 8.348 0.030 . 1 . . . . 12 ARG H . 10271 1 62 . 1 1 12 12 ARG HA H 1 4.405 0.030 . 1 . . . . 12 ARG HA . 10271 1 63 . 1 1 12 12 ARG HB2 H 1 1.819 0.030 . 2 . . . . 12 ARG HB2 . 10271 1 64 . 1 1 12 12 ARG HB3 H 1 1.703 0.030 . 2 . . . . 12 ARG HB3 . 10271 1 65 . 1 1 12 12 ARG HD2 H 1 3.218 0.030 . 1 . . . . 12 ARG HD2 . 10271 1 66 . 1 1 12 12 ARG HD3 H 1 3.218 0.030 . 1 . . . . 12 ARG HD3 . 10271 1 67 . 1 1 12 12 ARG HG2 H 1 1.674 0.030 . 2 . . . . 12 ARG HG2 . 10271 1 68 . 1 1 12 12 ARG HG3 H 1 1.605 0.030 . 2 . . . . 12 ARG HG3 . 10271 1 69 . 1 1 12 12 ARG C C 13 175.204 0.300 . 1 . . . . 12 ARG C . 10271 1 70 . 1 1 12 12 ARG CA C 13 55.797 0.300 . 1 . . . . 12 ARG CA . 10271 1 71 . 1 1 12 12 ARG CB C 13 32.052 0.300 . 1 . . . . 12 ARG CB . 10271 1 72 . 1 1 12 12 ARG CD C 13 43.670 0.300 . 1 . . . . 12 ARG CD . 10271 1 73 . 1 1 12 12 ARG CG C 13 27.454 0.300 . 1 . . . . 12 ARG CG . 10271 1 74 . 1 1 12 12 ARG N N 15 120.519 0.300 . 1 . . . . 12 ARG N . 10271 1 75 . 1 1 13 13 HIS H H 1 8.296 0.030 . 1 . . . . 13 HIS H . 10271 1 76 . 1 1 13 13 HIS HA H 1 4.815 0.030 . 1 . . . . 13 HIS HA . 10271 1 77 . 1 1 13 13 HIS HB2 H 1 3.188 0.030 . 2 . . . . 13 HIS HB2 . 10271 1 78 . 1 1 13 13 HIS HB3 H 1 3.075 0.030 . 2 . . . . 13 HIS HB3 . 10271 1 79 . 1 1 13 13 HIS HD2 H 1 6.991 0.030 . 1 . . . . 13 HIS HD2 . 10271 1 80 . 1 1 13 13 HIS HE1 H 1 7.883 0.030 . 1 . . . . 13 HIS HE1 . 10271 1 81 . 1 1 13 13 HIS C C 13 174.544 0.300 . 1 . . . . 13 HIS C . 10271 1 82 . 1 1 13 13 HIS CA C 13 55.783 0.300 . 1 . . . . 13 HIS CA . 10271 1 83 . 1 1 13 13 HIS CB C 13 32.469 0.300 . 1 . . . . 13 HIS CB . 10271 1 84 . 1 1 13 13 HIS CD2 C 13 120.683 0.300 . 1 . . . . 13 HIS CD2 . 10271 1 85 . 1 1 13 13 HIS CE1 C 13 138.285 0.300 . 1 . . . . 13 HIS CE1 . 10271 1 86 . 1 1 13 13 HIS N N 15 118.569 0.300 . 1 . . . . 13 HIS N . 10271 1 87 . 1 1 14 14 LEU H H 1 8.209 0.030 . 1 . . . . 14 LEU H . 10271 1 88 . 1 1 14 14 LEU HA H 1 4.655 0.030 . 1 . . . . 14 LEU HA . 10271 1 89 . 1 1 14 14 LEU HB2 H 1 1.422 0.030 . 2 . . . . 14 LEU HB2 . 10271 1 90 . 1 1 14 14 LEU HB3 H 1 1.066 0.030 . 2 . . . . 14 LEU HB3 . 10271 1 91 . 1 1 14 14 LEU HD11 H 1 0.596 0.030 . 1 . . . . 14 LEU HD1 . 10271 1 92 . 1 1 14 14 LEU HD12 H 1 0.596 0.030 . 1 . . . . 14 LEU HD1 . 10271 1 93 . 1 1 14 14 LEU HD13 H 1 0.596 0.030 . 1 . . . . 14 LEU HD1 . 10271 1 94 . 1 1 14 14 LEU HD21 H 1 0.613 0.030 . 1 . . . . 14 LEU HD2 . 10271 1 95 . 1 1 14 14 LEU HD22 H 1 0.613 0.030 . 1 . . . . 14 LEU HD2 . 10271 1 96 . 1 1 14 14 LEU HD23 H 1 0.613 0.030 . 1 . . . . 14 LEU HD2 . 10271 1 97 . 1 1 14 14 LEU HG H 1 1.322 0.030 . 1 . . . . 14 LEU HG . 10271 1 98 . 1 1 14 14 LEU C C 13 175.977 0.300 . 1 . . . . 14 LEU C . 10271 1 99 . 1 1 14 14 LEU CA C 13 53.935 0.300 . 1 . . . . 14 LEU CA . 10271 1 100 . 1 1 14 14 LEU CB C 13 44.113 0.300 . 1 . . . . 14 LEU CB . 10271 1 101 . 1 1 14 14 LEU CD1 C 13 25.557 0.300 . 2 . . . . 14 LEU CD1 . 10271 1 102 . 1 1 14 14 LEU CD2 C 13 24.785 0.300 . 2 . . . . 14 LEU CD2 . 10271 1 103 . 1 1 14 14 LEU CG C 13 26.494 0.300 . 1 . . . . 14 LEU CG . 10271 1 104 . 1 1 14 14 LEU N N 15 120.625 0.300 . 1 . . . . 14 LEU N . 10271 1 105 . 1 1 15 15 GLY H H 1 7.988 0.030 . 1 . . . . 15 GLY H . 10271 1 106 . 1 1 15 15 GLY HA2 H 1 4.008 0.030 . 2 . . . . 15 GLY HA2 . 10271 1 107 . 1 1 15 15 GLY HA3 H 1 2.486 0.030 . 2 . . . . 15 GLY HA3 . 10271 1 108 . 1 1 15 15 GLY C C 13 170.056 0.300 . 1 . . . . 15 GLY C . 10271 1 109 . 1 1 15 15 GLY CA C 13 43.188 0.300 . 1 . . . . 15 GLY CA . 10271 1 110 . 1 1 15 15 GLY N N 15 111.142 0.300 . 1 . . . . 15 GLY N . 10271 1 111 . 1 1 16 16 PHE H H 1 8.078 0.030 . 1 . . . . 16 PHE H . 10271 1 112 . 1 1 16 16 PHE HA H 1 5.830 0.030 . 1 . . . . 16 PHE HA . 10271 1 113 . 1 1 16 16 PHE HB2 H 1 2.794 0.030 . 2 . . . . 16 PHE HB2 . 10271 1 114 . 1 1 16 16 PHE HB3 H 1 2.734 0.030 . 2 . . . . 16 PHE HB3 . 10271 1 115 . 1 1 16 16 PHE HD1 H 1 7.043 0.030 . 1 . . . . 16 PHE HD1 . 10271 1 116 . 1 1 16 16 PHE HD2 H 1 7.043 0.030 . 1 . . . . 16 PHE HD2 . 10271 1 117 . 1 1 16 16 PHE HE1 H 1 6.926 0.030 . 1 . . . . 16 PHE HE1 . 10271 1 118 . 1 1 16 16 PHE HE2 H 1 6.926 0.030 . 1 . . . . 16 PHE HE2 . 10271 1 119 . 1 1 16 16 PHE HZ H 1 6.525 0.030 . 1 . . . . 16 PHE HZ . 10271 1 120 . 1 1 16 16 PHE C C 13 175.968 0.300 . 1 . . . . 16 PHE C . 10271 1 121 . 1 1 16 16 PHE CA C 13 56.048 0.300 . 1 . . . . 16 PHE CA . 10271 1 122 . 1 1 16 16 PHE CB C 13 43.353 0.300 . 1 . . . . 16 PHE CB . 10271 1 123 . 1 1 16 16 PHE CD1 C 13 131.814 0.300 . 1 . . . . 16 PHE CD1 . 10271 1 124 . 1 1 16 16 PHE CD2 C 13 131.814 0.300 . 1 . . . . 16 PHE CD2 . 10271 1 125 . 1 1 16 16 PHE CE1 C 13 130.819 0.300 . 1 . . . . 16 PHE CE1 . 10271 1 126 . 1 1 16 16 PHE CE2 C 13 130.819 0.300 . 1 . . . . 16 PHE CE2 . 10271 1 127 . 1 1 16 16 PHE CZ C 13 126.800 0.300 . 1 . . . . 16 PHE CZ . 10271 1 128 . 1 1 16 16 PHE N N 15 114.388 0.300 . 1 . . . . 16 PHE N . 10271 1 129 . 1 1 17 17 SER H H 1 9.811 0.030 . 1 . . . . 17 SER H . 10271 1 130 . 1 1 17 17 SER HA H 1 4.883 0.030 . 1 . . . . 17 SER HA . 10271 1 131 . 1 1 17 17 SER HB2 H 1 4.099 0.030 . 2 . . . . 17 SER HB2 . 10271 1 132 . 1 1 17 17 SER HB3 H 1 3.777 0.030 . 2 . . . . 17 SER HB3 . 10271 1 133 . 1 1 17 17 SER C C 13 171.638 0.300 . 1 . . . . 17 SER C . 10271 1 134 . 1 1 17 17 SER CA C 13 57.073 0.300 . 1 . . . . 17 SER CA . 10271 1 135 . 1 1 17 17 SER CB C 13 66.893 0.300 . 1 . . . . 17 SER CB . 10271 1 136 . 1 1 17 17 SER N N 15 118.688 0.300 . 1 . . . . 17 SER N . 10271 1 137 . 1 1 18 18 ASP H H 1 9.001 0.030 . 1 . . . . 18 ASP H . 10271 1 138 . 1 1 18 18 ASP HA H 1 4.171 0.030 . 1 . . . . 18 ASP HA . 10271 1 139 . 1 1 18 18 ASP HB2 H 1 2.686 0.030 . 1 . . . . 18 ASP HB2 . 10271 1 140 . 1 1 18 18 ASP HB3 H 1 2.686 0.030 . 1 . . . . 18 ASP HB3 . 10271 1 141 . 1 1 18 18 ASP C C 13 174.520 0.300 . 1 . . . . 18 ASP C . 10271 1 142 . 1 1 18 18 ASP CA C 13 55.333 0.300 . 1 . . . . 18 ASP CA . 10271 1 143 . 1 1 18 18 ASP CB C 13 40.075 0.300 . 1 . . . . 18 ASP CB . 10271 1 144 . 1 1 18 18 ASP N N 15 116.878 0.300 . 1 . . . . 18 ASP N . 10271 1 145 . 1 1 19 19 VAL H H 1 8.202 0.030 . 1 . . . . 19 VAL H . 10271 1 146 . 1 1 19 19 VAL HA H 1 4.169 0.030 . 1 . . . . 19 VAL HA . 10271 1 147 . 1 1 19 19 VAL HB H 1 2.040 0.030 . 1 . . . . 19 VAL HB . 10271 1 148 . 1 1 19 19 VAL HG11 H 1 1.048 0.030 . 1 . . . . 19 VAL HG1 . 10271 1 149 . 1 1 19 19 VAL HG12 H 1 1.048 0.030 . 1 . . . . 19 VAL HG1 . 10271 1 150 . 1 1 19 19 VAL HG13 H 1 1.048 0.030 . 1 . . . . 19 VAL HG1 . 10271 1 151 . 1 1 19 19 VAL HG21 H 1 0.843 0.030 . 1 . . . . 19 VAL HG2 . 10271 1 152 . 1 1 19 19 VAL HG22 H 1 0.843 0.030 . 1 . . . . 19 VAL HG2 . 10271 1 153 . 1 1 19 19 VAL HG23 H 1 0.843 0.030 . 1 . . . . 19 VAL HG2 . 10271 1 154 . 1 1 19 19 VAL C C 13 176.641 0.300 . 1 . . . . 19 VAL C . 10271 1 155 . 1 1 19 19 VAL CA C 13 63.962 0.300 . 1 . . . . 19 VAL CA . 10271 1 156 . 1 1 19 19 VAL CB C 13 31.236 0.300 . 1 . . . . 19 VAL CB . 10271 1 157 . 1 1 19 19 VAL CG1 C 13 22.270 0.300 . 2 . . . . 19 VAL CG1 . 10271 1 158 . 1 1 19 19 VAL CG2 C 13 21.997 0.300 . 2 . . . . 19 VAL CG2 . 10271 1 159 . 1 1 19 19 VAL N N 15 117.253 0.300 . 1 . . . . 19 VAL N . 10271 1 160 . 1 1 20 20 SER H H 1 9.066 0.030 . 1 . . . . 20 SER H . 10271 1 161 . 1 1 20 20 SER HA H 1 5.061 0.030 . 1 . . . . 20 SER HA . 10271 1 162 . 1 1 20 20 SER HB2 H 1 4.212 0.030 . 2 . . . . 20 SER HB2 . 10271 1 163 . 1 1 20 20 SER HB3 H 1 3.842 0.030 . 2 . . . . 20 SER HB3 . 10271 1 164 . 1 1 20 20 SER C C 13 174.081 0.300 . 1 . . . . 20 SER C . 10271 1 165 . 1 1 20 20 SER CA C 13 55.582 0.300 . 1 . . . . 20 SER CA . 10271 1 166 . 1 1 20 20 SER CB C 13 65.090 0.300 . 1 . . . . 20 SER CB . 10271 1 167 . 1 1 20 20 SER N N 15 126.686 0.300 . 1 . . . . 20 SER N . 10271 1 168 . 1 1 21 21 HIS H H 1 8.635 0.030 . 1 . . . . 21 HIS H . 10271 1 169 . 1 1 21 21 HIS HA H 1 4.895 0.030 . 1 . . . . 21 HIS HA . 10271 1 170 . 1 1 21 21 HIS HB2 H 1 2.984 0.030 . 2 . . . . 21 HIS HB2 . 10271 1 171 . 1 1 21 21 HIS HB3 H 1 2.664 0.030 . 2 . . . . 21 HIS HB3 . 10271 1 172 . 1 1 21 21 HIS HD2 H 1 7.039 0.030 . 1 . . . . 21 HIS HD2 . 10271 1 173 . 1 1 21 21 HIS HE1 H 1 7.741 0.030 . 1 . . . . 21 HIS HE1 . 10271 1 174 . 1 1 21 21 HIS C C 13 175.242 0.300 . 1 . . . . 21 HIS C . 10271 1 175 . 1 1 21 21 HIS CA C 13 56.934 0.300 . 1 . . . . 21 HIS CA . 10271 1 176 . 1 1 21 21 HIS CB C 13 30.651 0.300 . 1 . . . . 21 HIS CB . 10271 1 177 . 1 1 21 21 HIS CD2 C 13 117.925 0.300 . 1 . . . . 21 HIS CD2 . 10271 1 178 . 1 1 21 21 HIS CE1 C 13 140.067 0.300 . 1 . . . . 21 HIS CE1 . 10271 1 179 . 1 1 21 21 HIS N N 15 117.241 0.300 . 1 . . . . 21 HIS N . 10271 1 180 . 1 1 22 22 ASP H H 1 7.400 0.030 . 1 . . . . 22 ASP H . 10271 1 181 . 1 1 22 22 ASP HA H 1 4.803 0.030 . 1 . . . . 22 ASP HA . 10271 1 182 . 1 1 22 22 ASP HB2 H 1 2.930 0.030 . 2 . . . . 22 ASP HB2 . 10271 1 183 . 1 1 22 22 ASP HB3 H 1 2.115 0.030 . 2 . . . . 22 ASP HB3 . 10271 1 184 . 1 1 22 22 ASP C C 13 176.754 0.300 . 1 . . . . 22 ASP C . 10271 1 185 . 1 1 22 22 ASP CA C 13 52.316 0.300 . 1 . . . . 22 ASP CA . 10271 1 186 . 1 1 22 22 ASP CB C 13 41.697 0.300 . 1 . . . . 22 ASP CB . 10271 1 187 . 1 1 22 22 ASP N N 15 115.766 0.300 . 1 . . . . 22 ASP N . 10271 1 188 . 1 1 23 23 ALA H H 1 7.379 0.030 . 1 . . . . 23 ALA H . 10271 1 189 . 1 1 23 23 ALA HA H 1 4.753 0.030 . 1 . . . . 23 ALA HA . 10271 1 190 . 1 1 23 23 ALA HB1 H 1 1.277 0.030 . 1 . . . . 23 ALA HB . 10271 1 191 . 1 1 23 23 ALA HB2 H 1 1.277 0.030 . 1 . . . . 23 ALA HB . 10271 1 192 . 1 1 23 23 ALA HB3 H 1 1.277 0.030 . 1 . . . . 23 ALA HB . 10271 1 193 . 1 1 23 23 ALA C C 13 174.757 0.300 . 1 . . . . 23 ALA C . 10271 1 194 . 1 1 23 23 ALA CA C 13 51.613 0.300 . 1 . . . . 23 ALA CA . 10271 1 195 . 1 1 23 23 ALA CB C 13 22.882 0.300 . 1 . . . . 23 ALA CB . 10271 1 196 . 1 1 23 23 ALA N N 15 122.521 0.300 . 1 . . . . 23 ALA N . 10271 1 197 . 1 1 24 24 ALA H H 1 7.745 0.030 . 1 . . . . 24 ALA H . 10271 1 198 . 1 1 24 24 ALA HA H 1 4.593 0.030 . 1 . . . . 24 ALA HA . 10271 1 199 . 1 1 24 24 ALA HB1 H 1 1.191 0.030 . 1 . . . . 24 ALA HB . 10271 1 200 . 1 1 24 24 ALA HB2 H 1 1.191 0.030 . 1 . . . . 24 ALA HB . 10271 1 201 . 1 1 24 24 ALA HB3 H 1 1.191 0.030 . 1 . . . . 24 ALA HB . 10271 1 202 . 1 1 24 24 ALA C C 13 173.662 0.300 . 1 . . . . 24 ALA C . 10271 1 203 . 1 1 24 24 ALA CA C 13 52.233 0.300 . 1 . . . . 24 ALA CA . 10271 1 204 . 1 1 24 24 ALA CB C 13 22.894 0.300 . 1 . . . . 24 ALA CB . 10271 1 205 . 1 1 24 24 ALA N N 15 115.485 0.300 . 1 . . . . 24 ALA N . 10271 1 206 . 1 1 25 25 ARG H H 1 8.690 0.030 . 1 . . . . 25 ARG H . 10271 1 207 . 1 1 25 25 ARG HA H 1 5.209 0.030 . 1 . . . . 25 ARG HA . 10271 1 208 . 1 1 25 25 ARG HB2 H 1 2.095 0.030 . 2 . . . . 25 ARG HB2 . 10271 1 209 . 1 1 25 25 ARG HB3 H 1 1.640 0.030 . 2 . . . . 25 ARG HB3 . 10271 1 210 . 1 1 25 25 ARG HD2 H 1 3.027 0.030 . 2 . . . . 25 ARG HD2 . 10271 1 211 . 1 1 25 25 ARG HD3 H 1 2.929 0.030 . 2 . . . . 25 ARG HD3 . 10271 1 212 . 1 1 25 25 ARG HG2 H 1 1.456 0.030 . 2 . . . . 25 ARG HG2 . 10271 1 213 . 1 1 25 25 ARG HG3 H 1 1.170 0.030 . 2 . . . . 25 ARG HG3 . 10271 1 214 . 1 1 25 25 ARG C C 13 174.777 0.300 . 1 . . . . 25 ARG C . 10271 1 215 . 1 1 25 25 ARG CA C 13 55.161 0.300 . 1 . . . . 25 ARG CA . 10271 1 216 . 1 1 25 25 ARG CB C 13 32.329 0.300 . 1 . . . . 25 ARG CB . 10271 1 217 . 1 1 25 25 ARG CD C 13 43.124 0.300 . 1 . . . . 25 ARG CD . 10271 1 218 . 1 1 25 25 ARG CG C 13 28.271 0.300 . 1 . . . . 25 ARG CG . 10271 1 219 . 1 1 25 25 ARG N N 15 122.853 0.300 . 1 . . . . 25 ARG N . 10271 1 220 . 1 1 26 26 VAL H H 1 8.865 0.030 . 1 . . . . 26 VAL H . 10271 1 221 . 1 1 26 26 VAL HA H 1 5.120 0.030 . 1 . . . . 26 VAL HA . 10271 1 222 . 1 1 26 26 VAL HB H 1 1.901 0.030 . 1 . . . . 26 VAL HB . 10271 1 223 . 1 1 26 26 VAL HG11 H 1 0.701 0.030 . 1 . . . . 26 VAL HG1 . 10271 1 224 . 1 1 26 26 VAL HG12 H 1 0.701 0.030 . 1 . . . . 26 VAL HG1 . 10271 1 225 . 1 1 26 26 VAL HG13 H 1 0.701 0.030 . 1 . . . . 26 VAL HG1 . 10271 1 226 . 1 1 26 26 VAL HG21 H 1 1.131 0.030 . 1 . . . . 26 VAL HG2 . 10271 1 227 . 1 1 26 26 VAL HG22 H 1 1.131 0.030 . 1 . . . . 26 VAL HG2 . 10271 1 228 . 1 1 26 26 VAL HG23 H 1 1.131 0.030 . 1 . . . . 26 VAL HG2 . 10271 1 229 . 1 1 26 26 VAL C C 13 172.428 0.300 . 1 . . . . 26 VAL C . 10271 1 230 . 1 1 26 26 VAL CA C 13 57.420 0.300 . 1 . . . . 26 VAL CA . 10271 1 231 . 1 1 26 26 VAL CB C 13 34.734 0.300 . 1 . . . . 26 VAL CB . 10271 1 232 . 1 1 26 26 VAL CG1 C 13 24.158 0.300 . 2 . . . . 26 VAL CG1 . 10271 1 233 . 1 1 26 26 VAL CG2 C 13 20.256 0.300 . 2 . . . . 26 VAL CG2 . 10271 1 234 . 1 1 26 26 VAL N N 15 125.534 0.300 . 1 . . . . 26 VAL N . 10271 1 235 . 1 1 27 27 PHE H H 1 8.520 0.030 . 1 . . . . 27 PHE H . 10271 1 236 . 1 1 27 27 PHE HA H 1 5.039 0.030 . 1 . . . . 27 PHE HA . 10271 1 237 . 1 1 27 27 PHE HB2 H 1 2.993 0.030 . 2 . . . . 27 PHE HB2 . 10271 1 238 . 1 1 27 27 PHE HB3 H 1 2.460 0.030 . 2 . . . . 27 PHE HB3 . 10271 1 239 . 1 1 27 27 PHE HD1 H 1 6.743 0.030 . 1 . . . . 27 PHE HD1 . 10271 1 240 . 1 1 27 27 PHE HD2 H 1 6.743 0.030 . 1 . . . . 27 PHE HD2 . 10271 1 241 . 1 1 27 27 PHE HE1 H 1 7.052 0.030 . 1 . . . . 27 PHE HE1 . 10271 1 242 . 1 1 27 27 PHE HE2 H 1 7.052 0.030 . 1 . . . . 27 PHE HE2 . 10271 1 243 . 1 1 27 27 PHE HZ H 1 7.199 0.030 . 1 . . . . 27 PHE HZ . 10271 1 244 . 1 1 27 27 PHE C C 13 172.979 0.300 . 1 . . . . 27 PHE C . 10271 1 245 . 1 1 27 27 PHE CA C 13 56.293 0.300 . 1 . . . . 27 PHE CA . 10271 1 246 . 1 1 27 27 PHE CB C 13 42.190 0.300 . 1 . . . . 27 PHE CB . 10271 1 247 . 1 1 27 27 PHE CD1 C 13 132.407 0.300 . 1 . . . . 27 PHE CD1 . 10271 1 248 . 1 1 27 27 PHE CD2 C 13 132.407 0.300 . 1 . . . . 27 PHE CD2 . 10271 1 249 . 1 1 27 27 PHE CE1 C 13 130.744 0.300 . 1 . . . . 27 PHE CE1 . 10271 1 250 . 1 1 27 27 PHE CE2 C 13 130.744 0.300 . 1 . . . . 27 PHE CE2 . 10271 1 251 . 1 1 27 27 PHE CZ C 13 129.439 0.300 . 1 . . . . 27 PHE CZ . 10271 1 252 . 1 1 27 27 PHE N N 15 123.552 0.300 . 1 . . . . 27 PHE N . 10271 1 253 . 1 1 28 28 TRP H H 1 7.813 0.030 . 1 . . . . 28 TRP H . 10271 1 254 . 1 1 28 28 TRP HA H 1 5.058 0.030 . 1 . . . . 28 TRP HA . 10271 1 255 . 1 1 28 28 TRP HB2 H 1 3.186 0.030 . 2 . . . . 28 TRP HB2 . 10271 1 256 . 1 1 28 28 TRP HB3 H 1 2.969 0.030 . 2 . . . . 28 TRP HB3 . 10271 1 257 . 1 1 28 28 TRP HD1 H 1 7.036 0.030 . 1 . . . . 28 TRP HD1 . 10271 1 258 . 1 1 28 28 TRP HE1 H 1 9.306 0.030 . 1 . . . . 28 TRP HE1 . 10271 1 259 . 1 1 28 28 TRP HE3 H 1 6.821 0.030 . 1 . . . . 28 TRP HE3 . 10271 1 260 . 1 1 28 28 TRP HH2 H 1 6.335 0.030 . 1 . . . . 28 TRP HH2 . 10271 1 261 . 1 1 28 28 TRP HZ2 H 1 6.953 0.030 . 1 . . . . 28 TRP HZ2 . 10271 1 262 . 1 1 28 28 TRP HZ3 H 1 6.620 0.030 . 1 . . . . 28 TRP HZ3 . 10271 1 263 . 1 1 28 28 TRP C C 13 174.131 0.300 . 1 . . . . 28 TRP C . 10271 1 264 . 1 1 28 28 TRP CA C 13 55.730 0.300 . 1 . . . . 28 TRP CA . 10271 1 265 . 1 1 28 28 TRP CB C 13 30.997 0.300 . 1 . . . . 28 TRP CB . 10271 1 266 . 1 1 28 28 TRP CD1 C 13 127.468 0.300 . 1 . . . . 28 TRP CD1 . 10271 1 267 . 1 1 28 28 TRP CE3 C 13 120.101 0.300 . 1 . . . . 28 TRP CE3 . 10271 1 268 . 1 1 28 28 TRP CH2 C 13 122.384 0.300 . 1 . . . . 28 TRP CH2 . 10271 1 269 . 1 1 28 28 TRP CZ2 C 13 114.971 0.300 . 1 . . . . 28 TRP CZ2 . 10271 1 270 . 1 1 28 28 TRP CZ3 C 13 121.105 0.300 . 1 . . . . 28 TRP CZ3 . 10271 1 271 . 1 1 28 28 TRP N N 15 116.968 0.300 . 1 . . . . 28 TRP N . 10271 1 272 . 1 1 28 28 TRP NE1 N 15 127.574 0.300 . 1 . . . . 28 TRP NE1 . 10271 1 273 . 1 1 29 29 GLU H H 1 8.362 0.030 . 1 . . . . 29 GLU H . 10271 1 274 . 1 1 29 29 GLU HA H 1 4.356 0.030 . 1 . . . . 29 GLU HA . 10271 1 275 . 1 1 29 29 GLU HB2 H 1 2.056 0.030 . 2 . . . . 29 GLU HB2 . 10271 1 276 . 1 1 29 29 GLU HB3 H 1 1.982 0.030 . 2 . . . . 29 GLU HB3 . 10271 1 277 . 1 1 29 29 GLU HG2 H 1 2.383 0.030 . 1 . . . . 29 GLU HG2 . 10271 1 278 . 1 1 29 29 GLU HG3 H 1 2.383 0.030 . 1 . . . . 29 GLU HG3 . 10271 1 279 . 1 1 29 29 GLU C C 13 177.125 0.300 . 1 . . . . 29 GLU C . 10271 1 280 . 1 1 29 29 GLU CA C 13 55.820 0.300 . 1 . . . . 29 GLU CA . 10271 1 281 . 1 1 29 29 GLU CB C 13 31.085 0.300 . 1 . . . . 29 GLU CB . 10271 1 282 . 1 1 29 29 GLU CG C 13 36.616 0.300 . 1 . . . . 29 GLU CG . 10271 1 283 . 1 1 29 29 GLU N N 15 119.239 0.300 . 1 . . . . 29 GLU N . 10271 1 284 . 1 1 30 30 GLY H H 1 8.729 0.030 . 1 . . . . 30 GLY H . 10271 1 285 . 1 1 30 30 GLY HA2 H 1 4.051 0.030 . 2 . . . . 30 GLY HA2 . 10271 1 286 . 1 1 30 30 GLY HA3 H 1 3.781 0.030 . 2 . . . . 30 GLY HA3 . 10271 1 287 . 1 1 30 30 GLY C C 13 173.621 0.300 . 1 . . . . 30 GLY C . 10271 1 288 . 1 1 30 30 GLY CA C 13 45.559 0.300 . 1 . . . . 30 GLY CA . 10271 1 289 . 1 1 30 30 GLY N N 15 110.979 0.300 . 1 . . . . 30 GLY N . 10271 1 290 . 1 1 31 31 ALA H H 1 8.747 0.030 . 1 . . . . 31 ALA H . 10271 1 291 . 1 1 31 31 ALA HA H 1 4.577 0.030 . 1 . . . . 31 ALA HA . 10271 1 292 . 1 1 31 31 ALA HB1 H 1 1.613 0.030 . 1 . . . . 31 ALA HB . 10271 1 293 . 1 1 31 31 ALA HB2 H 1 1.613 0.030 . 1 . . . . 31 ALA HB . 10271 1 294 . 1 1 31 31 ALA HB3 H 1 1.613 0.030 . 1 . . . . 31 ALA HB . 10271 1 295 . 1 1 31 31 ALA C C 13 177.064 0.300 . 1 . . . . 31 ALA C . 10271 1 296 . 1 1 31 31 ALA CA C 13 50.416 0.300 . 1 . . . . 31 ALA CA . 10271 1 297 . 1 1 31 31 ALA CB C 13 19.221 0.300 . 1 . . . . 31 ALA CB . 10271 1 298 . 1 1 31 31 ALA N N 15 126.357 0.300 . 1 . . . . 31 ALA N . 10271 1 299 . 1 1 32 32 PRO HA H 1 4.630 0.030 . 1 . . . . 32 PRO HA . 10271 1 300 . 1 1 32 32 PRO HB2 H 1 2.177 0.030 . 2 . . . . 32 PRO HB2 . 10271 1 301 . 1 1 32 32 PRO HB3 H 1 2.095 0.030 . 2 . . . . 32 PRO HB3 . 10271 1 302 . 1 1 32 32 PRO HD2 H 1 3.798 0.030 . 2 . . . . 32 PRO HD2 . 10271 1 303 . 1 1 32 32 PRO HD3 H 1 3.731 0.030 . 2 . . . . 32 PRO HD3 . 10271 1 304 . 1 1 32 32 PRO HG2 H 1 2.094 0.030 . 2 . . . . 32 PRO HG2 . 10271 1 305 . 1 1 32 32 PRO HG3 H 1 1.831 0.030 . 2 . . . . 32 PRO HG3 . 10271 1 306 . 1 1 32 32 PRO C C 13 175.001 0.300 . 1 . . . . 32 PRO C . 10271 1 307 . 1 1 32 32 PRO CA C 13 63.368 0.300 . 1 . . . . 32 PRO CA . 10271 1 308 . 1 1 32 32 PRO CB C 13 30.738 0.300 . 1 . . . . 32 PRO CB . 10271 1 309 . 1 1 32 32 PRO CD C 13 50.333 0.300 . 1 . . . . 32 PRO CD . 10271 1 310 . 1 1 32 32 PRO CG C 13 27.140 0.300 . 1 . . . . 32 PRO CG . 10271 1 311 . 1 1 33 33 ARG H H 1 7.418 0.030 . 1 . . . . 33 ARG H . 10271 1 312 . 1 1 33 33 ARG HA H 1 4.746 0.030 . 1 . . . . 33 ARG HA . 10271 1 313 . 1 1 33 33 ARG HB2 H 1 1.669 0.030 . 1 . . . . 33 ARG HB2 . 10271 1 314 . 1 1 33 33 ARG HB3 H 1 1.669 0.030 . 1 . . . . 33 ARG HB3 . 10271 1 315 . 1 1 33 33 ARG HD2 H 1 2.695 0.030 . 2 . . . . 33 ARG HD2 . 10271 1 316 . 1 1 33 33 ARG HD3 H 1 2.597 0.030 . 2 . . . . 33 ARG HD3 . 10271 1 317 . 1 1 33 33 ARG HG2 H 1 1.306 0.030 . 2 . . . . 33 ARG HG2 . 10271 1 318 . 1 1 33 33 ARG HG3 H 1 1.190 0.030 . 2 . . . . 33 ARG HG3 . 10271 1 319 . 1 1 33 33 ARG C C 13 172.695 0.300 . 1 . . . . 33 ARG C . 10271 1 320 . 1 1 33 33 ARG CA C 13 53.205 0.300 . 1 . . . . 33 ARG CA . 10271 1 321 . 1 1 33 33 ARG CB C 13 30.414 0.300 . 1 . . . . 33 ARG CB . 10271 1 322 . 1 1 33 33 ARG CD C 13 43.328 0.300 . 1 . . . . 33 ARG CD . 10271 1 323 . 1 1 33 33 ARG CG C 13 24.784 0.300 . 1 . . . . 33 ARG CG . 10271 1 324 . 1 1 33 33 ARG N N 15 117.994 0.300 . 1 . . . . 33 ARG N . 10271 1 325 . 1 1 34 34 PRO HA H 1 4.273 0.030 . 1 . . . . 34 PRO HA . 10271 1 326 . 1 1 34 34 PRO HB2 H 1 2.333 0.030 . 2 . . . . 34 PRO HB2 . 10271 1 327 . 1 1 34 34 PRO HB3 H 1 1.714 0.030 . 2 . . . . 34 PRO HB3 . 10271 1 328 . 1 1 34 34 PRO HD2 H 1 3.780 0.030 . 2 . . . . 34 PRO HD2 . 10271 1 329 . 1 1 34 34 PRO HD3 H 1 3.604 0.030 . 2 . . . . 34 PRO HD3 . 10271 1 330 . 1 1 34 34 PRO HG2 H 1 2.059 0.030 . 2 . . . . 34 PRO HG2 . 10271 1 331 . 1 1 34 34 PRO HG3 H 1 1.940 0.030 . 2 . . . . 34 PRO HG3 . 10271 1 332 . 1 1 34 34 PRO C C 13 175.342 0.300 . 1 . . . . 34 PRO C . 10271 1 333 . 1 1 34 34 PRO CA C 13 64.037 0.300 . 1 . . . . 34 PRO CA . 10271 1 334 . 1 1 34 34 PRO CB C 13 32.581 0.300 . 1 . . . . 34 PRO CB . 10271 1 335 . 1 1 34 34 PRO CD C 13 50.549 0.300 . 1 . . . . 34 PRO CD . 10271 1 336 . 1 1 34 34 PRO CG C 13 27.865 0.300 . 1 . . . . 34 PRO CG . 10271 1 337 . 1 1 35 35 VAL H H 1 8.264 0.030 . 1 . . . . 35 VAL H . 10271 1 338 . 1 1 35 35 VAL HA H 1 4.237 0.030 . 1 . . . . 35 VAL HA . 10271 1 339 . 1 1 35 35 VAL HB H 1 2.226 0.030 . 1 . . . . 35 VAL HB . 10271 1 340 . 1 1 35 35 VAL HG11 H 1 1.109 0.030 . 1 . . . . 35 VAL HG1 . 10271 1 341 . 1 1 35 35 VAL HG12 H 1 1.109 0.030 . 1 . . . . 35 VAL HG1 . 10271 1 342 . 1 1 35 35 VAL HG13 H 1 1.109 0.030 . 1 . . . . 35 VAL HG1 . 10271 1 343 . 1 1 35 35 VAL HG21 H 1 0.879 0.030 . 1 . . . . 35 VAL HG2 . 10271 1 344 . 1 1 35 35 VAL HG22 H 1 0.879 0.030 . 1 . . . . 35 VAL HG2 . 10271 1 345 . 1 1 35 35 VAL HG23 H 1 0.879 0.030 . 1 . . . . 35 VAL HG2 . 10271 1 346 . 1 1 35 35 VAL C C 13 175.771 0.300 . 1 . . . . 35 VAL C . 10271 1 347 . 1 1 35 35 VAL CA C 13 61.890 0.300 . 1 . . . . 35 VAL CA . 10271 1 348 . 1 1 35 35 VAL CB C 13 35.092 0.300 . 1 . . . . 35 VAL CB . 10271 1 349 . 1 1 35 35 VAL CG1 C 13 22.576 0.300 . 2 . . . . 35 VAL CG1 . 10271 1 350 . 1 1 35 35 VAL CG2 C 13 23.558 0.300 . 2 . . . . 35 VAL CG2 . 10271 1 351 . 1 1 35 35 VAL N N 15 122.377 0.300 . 1 . . . . 35 VAL N . 10271 1 352 . 1 1 36 36 ARG H H 1 9.278 0.030 . 1 . . . . 36 ARG H . 10271 1 353 . 1 1 36 36 ARG HA H 1 4.426 0.030 . 1 . . . . 36 ARG HA . 10271 1 354 . 1 1 36 36 ARG HB2 H 1 1.604 0.030 . 1 . . . . 36 ARG HB2 . 10271 1 355 . 1 1 36 36 ARG HB3 H 1 1.604 0.030 . 1 . . . . 36 ARG HB3 . 10271 1 356 . 1 1 36 36 ARG HD2 H 1 3.277 0.030 . 2 . . . . 36 ARG HD2 . 10271 1 357 . 1 1 36 36 ARG HD3 H 1 3.047 0.030 . 2 . . . . 36 ARG HD3 . 10271 1 358 . 1 1 36 36 ARG HG2 H 1 1.565 0.030 . 2 . . . . 36 ARG HG2 . 10271 1 359 . 1 1 36 36 ARG HG3 H 1 1.438 0.030 . 2 . . . . 36 ARG HG3 . 10271 1 360 . 1 1 36 36 ARG C C 13 175.620 0.300 . 1 . . . . 36 ARG C . 10271 1 361 . 1 1 36 36 ARG CA C 13 57.672 0.300 . 1 . . . . 36 ARG CA . 10271 1 362 . 1 1 36 36 ARG CB C 13 31.595 0.300 . 1 . . . . 36 ARG CB . 10271 1 363 . 1 1 36 36 ARG CD C 13 43.507 0.300 . 1 . . . . 36 ARG CD . 10271 1 364 . 1 1 36 36 ARG CG C 13 27.167 0.300 . 1 . . . . 36 ARG CG . 10271 1 365 . 1 1 36 36 ARG N N 15 125.821 0.300 . 1 . . . . 36 ARG N . 10271 1 366 . 1 1 37 37 LEU H H 1 7.525 0.030 . 1 . . . . 37 LEU H . 10271 1 367 . 1 1 37 37 LEU HA H 1 4.403 0.030 . 1 . . . . 37 LEU HA . 10271 1 368 . 1 1 37 37 LEU HB2 H 1 1.562 0.030 . 1 . . . . 37 LEU HB2 . 10271 1 369 . 1 1 37 37 LEU HB3 H 1 1.562 0.030 . 1 . . . . 37 LEU HB3 . 10271 1 370 . 1 1 37 37 LEU HD11 H 1 0.765 0.030 . 1 . . . . 37 LEU HD1 . 10271 1 371 . 1 1 37 37 LEU HD12 H 1 0.765 0.030 . 1 . . . . 37 LEU HD1 . 10271 1 372 . 1 1 37 37 LEU HD13 H 1 0.765 0.030 . 1 . . . . 37 LEU HD1 . 10271 1 373 . 1 1 37 37 LEU HD21 H 1 0.903 0.030 . 1 . . . . 37 LEU HD2 . 10271 1 374 . 1 1 37 37 LEU HD22 H 1 0.903 0.030 . 1 . . . . 37 LEU HD2 . 10271 1 375 . 1 1 37 37 LEU HD23 H 1 0.903 0.030 . 1 . . . . 37 LEU HD2 . 10271 1 376 . 1 1 37 37 LEU HG H 1 1.500 0.030 . 1 . . . . 37 LEU HG . 10271 1 377 . 1 1 37 37 LEU C C 13 172.405 0.300 . 1 . . . . 37 LEU C . 10271 1 378 . 1 1 37 37 LEU CA C 13 54.913 0.300 . 1 . . . . 37 LEU CA . 10271 1 379 . 1 1 37 37 LEU CB C 13 46.166 0.300 . 1 . . . . 37 LEU CB . 10271 1 380 . 1 1 37 37 LEU CD1 C 13 25.916 0.300 . 2 . . . . 37 LEU CD1 . 10271 1 381 . 1 1 37 37 LEU CD2 C 13 24.197 0.300 . 2 . . . . 37 LEU CD2 . 10271 1 382 . 1 1 37 37 LEU CG C 13 26.775 0.300 . 1 . . . . 37 LEU CG . 10271 1 383 . 1 1 37 37 LEU N N 15 119.761 0.300 . 1 . . . . 37 LEU N . 10271 1 384 . 1 1 38 38 VAL H H 1 8.513 0.030 . 1 . . . . 38 VAL H . 10271 1 385 . 1 1 38 38 VAL HA H 1 4.790 0.030 . 1 . . . . 38 VAL HA . 10271 1 386 . 1 1 38 38 VAL HB H 1 1.804 0.030 . 1 . . . . 38 VAL HB . 10271 1 387 . 1 1 38 38 VAL HG11 H 1 0.996 0.030 . 1 . . . . 38 VAL HG1 . 10271 1 388 . 1 1 38 38 VAL HG12 H 1 0.996 0.030 . 1 . . . . 38 VAL HG1 . 10271 1 389 . 1 1 38 38 VAL HG13 H 1 0.996 0.030 . 1 . . . . 38 VAL HG1 . 10271 1 390 . 1 1 38 38 VAL HG21 H 1 0.331 0.030 . 1 . . . . 38 VAL HG2 . 10271 1 391 . 1 1 38 38 VAL HG22 H 1 0.331 0.030 . 1 . . . . 38 VAL HG2 . 10271 1 392 . 1 1 38 38 VAL HG23 H 1 0.331 0.030 . 1 . . . . 38 VAL HG2 . 10271 1 393 . 1 1 38 38 VAL C C 13 174.595 0.300 . 1 . . . . 38 VAL C . 10271 1 394 . 1 1 38 38 VAL CA C 13 60.992 0.300 . 1 . . . . 38 VAL CA . 10271 1 395 . 1 1 38 38 VAL CB C 13 33.979 0.300 . 1 . . . . 38 VAL CB . 10271 1 396 . 1 1 38 38 VAL CG1 C 13 22.257 0.300 . 2 . . . . 38 VAL CG1 . 10271 1 397 . 1 1 38 38 VAL CG2 C 13 21.625 0.300 . 2 . . . . 38 VAL CG2 . 10271 1 398 . 1 1 38 38 VAL N N 15 123.604 0.300 . 1 . . . . 38 VAL N . 10271 1 399 . 1 1 39 39 ARG H H 1 9.025 0.030 . 1 . . . . 39 ARG H . 10271 1 400 . 1 1 39 39 ARG HA H 1 4.839 0.030 . 1 . . . . 39 ARG HA . 10271 1 401 . 1 1 39 39 ARG HB2 H 1 1.655 0.030 . 2 . . . . 39 ARG HB2 . 10271 1 402 . 1 1 39 39 ARG HB3 H 1 1.516 0.030 . 2 . . . . 39 ARG HB3 . 10271 1 403 . 1 1 39 39 ARG HD2 H 1 3.097 0.030 . 1 . . . . 39 ARG HD2 . 10271 1 404 . 1 1 39 39 ARG HD3 H 1 3.097 0.030 . 1 . . . . 39 ARG HD3 . 10271 1 405 . 1 1 39 39 ARG HG2 H 1 1.439 0.030 . 1 . . . . 39 ARG HG2 . 10271 1 406 . 1 1 39 39 ARG HG3 H 1 1.439 0.030 . 1 . . . . 39 ARG HG3 . 10271 1 407 . 1 1 39 39 ARG C C 13 174.581 0.300 . 1 . . . . 39 ARG C . 10271 1 408 . 1 1 39 39 ARG CA C 13 55.150 0.300 . 1 . . . . 39 ARG CA . 10271 1 409 . 1 1 39 39 ARG CB C 13 32.919 0.300 . 1 . . . . 39 ARG CB . 10271 1 410 . 1 1 39 39 ARG CD C 13 43.288 0.300 . 1 . . . . 39 ARG CD . 10271 1 411 . 1 1 39 39 ARG CG C 13 28.214 0.300 . 1 . . . . 39 ARG CG . 10271 1 412 . 1 1 39 39 ARG N N 15 126.442 0.300 . 1 . . . . 39 ARG N . 10271 1 413 . 1 1 40 40 VAL H H 1 9.059 0.030 . 1 . . . . 40 VAL H . 10271 1 414 . 1 1 40 40 VAL HA H 1 5.177 0.030 . 1 . . . . 40 VAL HA . 10271 1 415 . 1 1 40 40 VAL HB H 1 1.983 0.030 . 1 . . . . 40 VAL HB . 10271 1 416 . 1 1 40 40 VAL HG11 H 1 0.863 0.030 . 1 . . . . 40 VAL HG1 . 10271 1 417 . 1 1 40 40 VAL HG12 H 1 0.863 0.030 . 1 . . . . 40 VAL HG1 . 10271 1 418 . 1 1 40 40 VAL HG13 H 1 0.863 0.030 . 1 . . . . 40 VAL HG1 . 10271 1 419 . 1 1 40 40 VAL HG21 H 1 0.634 0.030 . 1 . . . . 40 VAL HG2 . 10271 1 420 . 1 1 40 40 VAL HG22 H 1 0.634 0.030 . 1 . . . . 40 VAL HG2 . 10271 1 421 . 1 1 40 40 VAL HG23 H 1 0.634 0.030 . 1 . . . . 40 VAL HG2 . 10271 1 422 . 1 1 40 40 VAL C C 13 175.508 0.300 . 1 . . . . 40 VAL C . 10271 1 423 . 1 1 40 40 VAL CA C 13 60.513 0.300 . 1 . . . . 40 VAL CA . 10271 1 424 . 1 1 40 40 VAL CB C 13 33.390 0.300 . 1 . . . . 40 VAL CB . 10271 1 425 . 1 1 40 40 VAL CG1 C 13 22.614 0.300 . 2 . . . . 40 VAL CG1 . 10271 1 426 . 1 1 40 40 VAL CG2 C 13 20.750 0.300 . 2 . . . . 40 VAL CG2 . 10271 1 427 . 1 1 40 40 VAL N N 15 127.219 0.300 . 1 . . . . 40 VAL N . 10271 1 428 . 1 1 41 41 THR H H 1 9.244 0.030 . 1 . . . . 41 THR H . 10271 1 429 . 1 1 41 41 THR HA H 1 5.056 0.030 . 1 . . . . 41 THR HA . 10271 1 430 . 1 1 41 41 THR HB H 1 4.209 0.030 . 1 . . . . 41 THR HB . 10271 1 431 . 1 1 41 41 THR HG21 H 1 1.128 0.030 . 1 . . . . 41 THR HG2 . 10271 1 432 . 1 1 41 41 THR HG22 H 1 1.128 0.030 . 1 . . . . 41 THR HG2 . 10271 1 433 . 1 1 41 41 THR HG23 H 1 1.128 0.030 . 1 . . . . 41 THR HG2 . 10271 1 434 . 1 1 41 41 THR C C 13 173.323 0.300 . 1 . . . . 41 THR C . 10271 1 435 . 1 1 41 41 THR CA C 13 59.618 0.300 . 1 . . . . 41 THR CA . 10271 1 436 . 1 1 41 41 THR CB C 13 71.668 0.300 . 1 . . . . 41 THR CB . 10271 1 437 . 1 1 41 41 THR CG2 C 13 21.897 0.300 . 1 . . . . 41 THR CG2 . 10271 1 438 . 1 1 41 41 THR N N 15 117.579 0.300 . 1 . . . . 41 THR N . 10271 1 439 . 1 1 42 42 TYR H H 1 7.955 0.030 . 1 . . . . 42 TYR H . 10271 1 440 . 1 1 42 42 TYR HA H 1 5.825 0.030 . 1 . . . . 42 TYR HA . 10271 1 441 . 1 1 42 42 TYR HB2 H 1 2.793 0.030 . 2 . . . . 42 TYR HB2 . 10271 1 442 . 1 1 42 42 TYR HB3 H 1 2.562 0.030 . 2 . . . . 42 TYR HB3 . 10271 1 443 . 1 1 42 42 TYR HD1 H 1 6.446 0.030 . 1 . . . . 42 TYR HD1 . 10271 1 444 . 1 1 42 42 TYR HD2 H 1 6.446 0.030 . 1 . . . . 42 TYR HD2 . 10271 1 445 . 1 1 42 42 TYR HE1 H 1 6.272 0.030 . 1 . . . . 42 TYR HE1 . 10271 1 446 . 1 1 42 42 TYR HE2 H 1 6.272 0.030 . 1 . . . . 42 TYR HE2 . 10271 1 447 . 1 1 42 42 TYR C C 13 173.794 0.300 . 1 . . . . 42 TYR C . 10271 1 448 . 1 1 42 42 TYR CA C 13 54.314 0.300 . 1 . . . . 42 TYR CA . 10271 1 449 . 1 1 42 42 TYR CB C 13 39.788 0.300 . 1 . . . . 42 TYR CB . 10271 1 450 . 1 1 42 42 TYR CD1 C 13 134.258 0.300 . 1 . . . . 42 TYR CD1 . 10271 1 451 . 1 1 42 42 TYR CD2 C 13 134.258 0.300 . 1 . . . . 42 TYR CD2 . 10271 1 452 . 1 1 42 42 TYR CE1 C 13 116.926 0.300 . 1 . . . . 42 TYR CE1 . 10271 1 453 . 1 1 42 42 TYR CE2 C 13 116.926 0.300 . 1 . . . . 42 TYR CE2 . 10271 1 454 . 1 1 42 42 TYR N N 15 117.304 0.300 . 1 . . . . 42 TYR N . 10271 1 455 . 1 1 43 43 VAL H H 1 8.547 0.030 . 1 . . . . 43 VAL H . 10271 1 456 . 1 1 43 43 VAL HA H 1 5.069 0.030 . 1 . . . . 43 VAL HA . 10271 1 457 . 1 1 43 43 VAL HB H 1 2.076 0.030 . 1 . . . . 43 VAL HB . 10271 1 458 . 1 1 43 43 VAL HG11 H 1 1.031 0.030 . 1 . . . . 43 VAL HG1 . 10271 1 459 . 1 1 43 43 VAL HG12 H 1 1.031 0.030 . 1 . . . . 43 VAL HG1 . 10271 1 460 . 1 1 43 43 VAL HG13 H 1 1.031 0.030 . 1 . . . . 43 VAL HG1 . 10271 1 461 . 1 1 43 43 VAL HG21 H 1 1.002 0.030 . 1 . . . . 43 VAL HG2 . 10271 1 462 . 1 1 43 43 VAL HG22 H 1 1.002 0.030 . 1 . . . . 43 VAL HG2 . 10271 1 463 . 1 1 43 43 VAL HG23 H 1 1.002 0.030 . 1 . . . . 43 VAL HG2 . 10271 1 464 . 1 1 43 43 VAL C C 13 174.912 0.300 . 1 . . . . 43 VAL C . 10271 1 465 . 1 1 43 43 VAL CA C 13 60.142 0.300 . 1 . . . . 43 VAL CA . 10271 1 466 . 1 1 43 43 VAL CB C 13 35.329 0.300 . 1 . . . . 43 VAL CB . 10271 1 467 . 1 1 43 43 VAL CG1 C 13 20.913 0.300 . 2 . . . . 43 VAL CG1 . 10271 1 468 . 1 1 43 43 VAL CG2 C 13 19.821 0.300 . 2 . . . . 43 VAL CG2 . 10271 1 469 . 1 1 43 43 VAL N N 15 119.038 0.300 . 1 . . . . 43 VAL N . 10271 1 470 . 1 1 44 44 SER H H 1 9.123 0.030 . 1 . . . . 44 SER H . 10271 1 471 . 1 1 44 44 SER HA H 1 4.307 0.030 . 1 . . . . 44 SER HA . 10271 1 472 . 1 1 44 44 SER HB2 H 1 3.793 0.030 . 2 . . . . 44 SER HB2 . 10271 1 473 . 1 1 44 44 SER HB3 H 1 3.531 0.030 . 2 . . . . 44 SER HB3 . 10271 1 474 . 1 1 44 44 SER C C 13 176.777 0.300 . 1 . . . . 44 SER C . 10271 1 475 . 1 1 44 44 SER CA C 13 57.838 0.300 . 1 . . . . 44 SER CA . 10271 1 476 . 1 1 44 44 SER CB C 13 64.064 0.300 . 1 . . . . 44 SER CB . 10271 1 477 . 1 1 44 44 SER N N 15 124.942 0.300 . 1 . . . . 44 SER N . 10271 1 478 . 1 1 45 45 SER H H 1 8.562 0.030 . 1 . . . . 45 SER H . 10271 1 479 . 1 1 45 45 SER HA H 1 4.175 0.030 . 1 . . . . 45 SER HA . 10271 1 480 . 1 1 45 45 SER HB2 H 1 3.907 0.030 . 2 . . . . 45 SER HB2 . 10271 1 481 . 1 1 45 45 SER HB3 H 1 3.806 0.030 . 2 . . . . 45 SER HB3 . 10271 1 482 . 1 1 45 45 SER C C 13 175.366 0.300 . 1 . . . . 45 SER C . 10271 1 483 . 1 1 45 45 SER CA C 13 61.239 0.300 . 1 . . . . 45 SER CA . 10271 1 484 . 1 1 45 45 SER CB C 13 62.976 0.300 . 1 . . . . 45 SER CB . 10271 1 485 . 1 1 45 45 SER N N 15 119.157 0.300 . 1 . . . . 45 SER N . 10271 1 486 . 1 1 46 46 GLU H H 1 8.321 0.030 . 1 . . . . 46 GLU H . 10271 1 487 . 1 1 46 46 GLU HA H 1 4.442 0.030 . 1 . . . . 46 GLU HA . 10271 1 488 . 1 1 46 46 GLU HB2 H 1 2.109 0.030 . 2 . . . . 46 GLU HB2 . 10271 1 489 . 1 1 46 46 GLU HB3 H 1 2.027 0.030 . 2 . . . . 46 GLU HB3 . 10271 1 490 . 1 1 46 46 GLU HG2 H 1 2.278 0.030 . 1 . . . . 46 GLU HG2 . 10271 1 491 . 1 1 46 46 GLU HG3 H 1 2.278 0.030 . 1 . . . . 46 GLU HG3 . 10271 1 492 . 1 1 46 46 GLU C C 13 177.463 0.300 . 1 . . . . 46 GLU C . 10271 1 493 . 1 1 46 46 GLU CA C 13 56.409 0.300 . 1 . . . . 46 GLU CA . 10271 1 494 . 1 1 46 46 GLU CB C 13 29.633 0.300 . 1 . . . . 46 GLU CB . 10271 1 495 . 1 1 46 46 GLU CG C 13 36.287 0.300 . 1 . . . . 46 GLU CG . 10271 1 496 . 1 1 46 46 GLU N N 15 119.112 0.300 . 1 . . . . 46 GLU N . 10271 1 497 . 1 1 47 47 GLY H H 1 8.129 0.030 . 1 . . . . 47 GLY H . 10271 1 498 . 1 1 47 47 GLY HA2 H 1 4.150 0.030 . 2 . . . . 47 GLY HA2 . 10271 1 499 . 1 1 47 47 GLY HA3 H 1 3.646 0.030 . 2 . . . . 47 GLY HA3 . 10271 1 500 . 1 1 47 47 GLY C C 13 175.047 0.300 . 1 . . . . 47 GLY C . 10271 1 501 . 1 1 47 47 GLY CA C 13 45.400 0.300 . 1 . . . . 47 GLY CA . 10271 1 502 . 1 1 47 47 GLY N N 15 109.344 0.300 . 1 . . . . 47 GLY N . 10271 1 503 . 1 1 48 48 GLY H H 1 7.927 0.030 . 1 . . . . 48 GLY H . 10271 1 504 . 1 1 48 48 GLY HA2 H 1 3.982 0.030 . 2 . . . . 48 GLY HA2 . 10271 1 505 . 1 1 48 48 GLY HA3 H 1 3.855 0.030 . 2 . . . . 48 GLY HA3 . 10271 1 506 . 1 1 48 48 GLY C C 13 173.614 0.300 . 1 . . . . 48 GLY C . 10271 1 507 . 1 1 48 48 GLY CA C 13 46.073 0.300 . 1 . . . . 48 GLY CA . 10271 1 508 . 1 1 48 48 GLY N N 15 107.840 0.300 . 1 . . . . 48 GLY N . 10271 1 509 . 1 1 49 49 HIS H H 1 7.985 0.030 . 1 . . . . 49 HIS H . 10271 1 510 . 1 1 49 49 HIS HA H 1 4.951 0.030 . 1 . . . . 49 HIS HA . 10271 1 511 . 1 1 49 49 HIS HB2 H 1 3.154 0.030 . 2 . . . . 49 HIS HB2 . 10271 1 512 . 1 1 49 49 HIS HB3 H 1 3.107 0.030 . 2 . . . . 49 HIS HB3 . 10271 1 513 . 1 1 49 49 HIS HD2 H 1 7.296 0.030 . 1 . . . . 49 HIS HD2 . 10271 1 514 . 1 1 49 49 HIS HE1 H 1 8.163 0.030 . 1 . . . . 49 HIS HE1 . 10271 1 515 . 1 1 49 49 HIS C C 13 173.760 0.300 . 1 . . . . 49 HIS C . 10271 1 516 . 1 1 49 49 HIS CA C 13 56.608 0.300 . 1 . . . . 49 HIS CA . 10271 1 517 . 1 1 49 49 HIS CB C 13 33.119 0.300 . 1 . . . . 49 HIS CB . 10271 1 518 . 1 1 49 49 HIS CD2 C 13 118.045 0.300 . 1 . . . . 49 HIS CD2 . 10271 1 519 . 1 1 49 49 HIS CE1 C 13 137.615 0.300 . 1 . . . . 49 HIS CE1 . 10271 1 520 . 1 1 49 49 HIS N N 15 120.577 0.300 . 1 . . . . 49 HIS N . 10271 1 521 . 1 1 50 50 SER H H 1 8.118 0.030 . 1 . . . . 50 SER H . 10271 1 522 . 1 1 50 50 SER HA H 1 5.184 0.030 . 1 . . . . 50 SER HA . 10271 1 523 . 1 1 50 50 SER HB2 H 1 3.855 0.030 . 1 . . . . 50 SER HB2 . 10271 1 524 . 1 1 50 50 SER HB3 H 1 3.855 0.030 . 1 . . . . 50 SER HB3 . 10271 1 525 . 1 1 50 50 SER C C 13 172.582 0.300 . 1 . . . . 50 SER C . 10271 1 526 . 1 1 50 50 SER CA C 13 56.463 0.300 . 1 . . . . 50 SER CA . 10271 1 527 . 1 1 50 50 SER CB C 13 66.423 0.300 . 1 . . . . 50 SER CB . 10271 1 528 . 1 1 50 50 SER N N 15 120.879 0.300 . 1 . . . . 50 SER N . 10271 1 529 . 1 1 51 51 GLY H H 1 7.900 0.030 . 1 . . . . 51 GLY H . 10271 1 530 . 1 1 51 51 GLY HA2 H 1 4.027 0.030 . 2 . . . . 51 GLY HA2 . 10271 1 531 . 1 1 51 51 GLY HA3 H 1 3.236 0.030 . 2 . . . . 51 GLY HA3 . 10271 1 532 . 1 1 51 51 GLY C C 13 171.073 0.300 . 1 . . . . 51 GLY C . 10271 1 533 . 1 1 51 51 GLY CA C 13 44.696 0.300 . 1 . . . . 51 GLY CA . 10271 1 534 . 1 1 51 51 GLY N N 15 108.215 0.300 . 1 . . . . 51 GLY N . 10271 1 535 . 1 1 52 52 GLN H H 1 8.256 0.030 . 1 . . . . 52 GLN H . 10271 1 536 . 1 1 52 52 GLN HA H 1 5.308 0.030 . 1 . . . . 52 GLN HA . 10271 1 537 . 1 1 52 52 GLN HB2 H 1 1.991 0.030 . 2 . . . . 52 GLN HB2 . 10271 1 538 . 1 1 52 52 GLN HB3 H 1 1.961 0.030 . 2 . . . . 52 GLN HB3 . 10271 1 539 . 1 1 52 52 GLN HE21 H 1 7.472 0.030 . 2 . . . . 52 GLN HE21 . 10271 1 540 . 1 1 52 52 GLN HE22 H 1 6.738 0.030 . 2 . . . . 52 GLN HE22 . 10271 1 541 . 1 1 52 52 GLN HG2 H 1 2.164 0.030 . 2 . . . . 52 GLN HG2 . 10271 1 542 . 1 1 52 52 GLN HG3 H 1 2.106 0.030 . 2 . . . . 52 GLN HG3 . 10271 1 543 . 1 1 52 52 GLN C C 13 174.217 0.300 . 1 . . . . 52 GLN C . 10271 1 544 . 1 1 52 52 GLN CA C 13 54.516 0.300 . 1 . . . . 52 GLN CA . 10271 1 545 . 1 1 52 52 GLN CB C 13 32.541 0.300 . 1 . . . . 52 GLN CB . 10271 1 546 . 1 1 52 52 GLN CG C 13 32.924 0.300 . 1 . . . . 52 GLN CG . 10271 1 547 . 1 1 52 52 GLN N N 15 115.667 0.300 . 1 . . . . 52 GLN N . 10271 1 548 . 1 1 52 52 GLN NE2 N 15 111.819 0.300 . 1 . . . . 52 GLN NE2 . 10271 1 549 . 1 1 53 53 THR H H 1 9.298 0.030 . 1 . . . . 53 THR H . 10271 1 550 . 1 1 53 53 THR HA H 1 4.753 0.030 . 1 . . . . 53 THR HA . 10271 1 551 . 1 1 53 53 THR HB H 1 4.285 0.030 . 1 . . . . 53 THR HB . 10271 1 552 . 1 1 53 53 THR HG21 H 1 1.145 0.030 . 1 . . . . 53 THR HG2 . 10271 1 553 . 1 1 53 53 THR HG22 H 1 1.145 0.030 . 1 . . . . 53 THR HG2 . 10271 1 554 . 1 1 53 53 THR HG23 H 1 1.145 0.030 . 1 . . . . 53 THR HG2 . 10271 1 555 . 1 1 53 53 THR C C 13 171.720 0.300 . 1 . . . . 53 THR C . 10271 1 556 . 1 1 53 53 THR CA C 13 60.869 0.300 . 1 . . . . 53 THR CA . 10271 1 557 . 1 1 53 53 THR CB C 13 70.580 0.300 . 1 . . . . 53 THR CB . 10271 1 558 . 1 1 53 53 THR CG2 C 13 19.452 0.300 . 1 . . . . 53 THR CG2 . 10271 1 559 . 1 1 53 53 THR N N 15 117.486 0.300 . 1 . . . . 53 THR N . 10271 1 560 . 1 1 54 54 GLU H H 1 8.404 0.030 . 1 . . . . 54 GLU H . 10271 1 561 . 1 1 54 54 GLU HA H 1 5.378 0.030 . 1 . . . . 54 GLU HA . 10271 1 562 . 1 1 54 54 GLU HB2 H 1 1.985 0.030 . 1 . . . . 54 GLU HB2 . 10271 1 563 . 1 1 54 54 GLU HB3 H 1 1.985 0.030 . 1 . . . . 54 GLU HB3 . 10271 1 564 . 1 1 54 54 GLU HG2 H 1 2.317 0.030 . 2 . . . . 54 GLU HG2 . 10271 1 565 . 1 1 54 54 GLU HG3 H 1 2.160 0.030 . 2 . . . . 54 GLU HG3 . 10271 1 566 . 1 1 54 54 GLU C C 13 174.705 0.300 . 1 . . . . 54 GLU C . 10271 1 567 . 1 1 54 54 GLU CA C 13 54.693 0.300 . 1 . . . . 54 GLU CA . 10271 1 568 . 1 1 54 54 GLU CB C 13 33.434 0.300 . 1 . . . . 54 GLU CB . 10271 1 569 . 1 1 54 54 GLU CG C 13 37.244 0.300 . 1 . . . . 54 GLU CG . 10271 1 570 . 1 1 54 54 GLU N N 15 123.651 0.300 . 1 . . . . 54 GLU N . 10271 1 571 . 1 1 55 55 ALA H H 1 9.471 0.030 . 1 . . . . 55 ALA H . 10271 1 572 . 1 1 55 55 ALA HA H 1 5.056 0.030 . 1 . . . . 55 ALA HA . 10271 1 573 . 1 1 55 55 ALA HB1 H 1 1.413 0.030 . 1 . . . . 55 ALA HB . 10271 1 574 . 1 1 55 55 ALA HB2 H 1 1.413 0.030 . 1 . . . . 55 ALA HB . 10271 1 575 . 1 1 55 55 ALA HB3 H 1 1.413 0.030 . 1 . . . . 55 ALA HB . 10271 1 576 . 1 1 55 55 ALA C C 13 172.938 0.300 . 1 . . . . 55 ALA C . 10271 1 577 . 1 1 55 55 ALA CA C 13 49.216 0.300 . 1 . . . . 55 ALA CA . 10271 1 578 . 1 1 55 55 ALA CB C 13 20.410 0.300 . 1 . . . . 55 ALA CB . 10271 1 579 . 1 1 55 55 ALA N N 15 126.815 0.300 . 1 . . . . 55 ALA N . 10271 1 580 . 1 1 56 56 PRO HA H 1 4.630 0.030 . 1 . . . . 56 PRO HA . 10271 1 581 . 1 1 56 56 PRO HB2 H 1 2.481 0.030 . 2 . . . . 56 PRO HB2 . 10271 1 582 . 1 1 56 56 PRO HB3 H 1 2.113 0.030 . 2 . . . . 56 PRO HB3 . 10271 1 583 . 1 1 56 56 PRO HD2 H 1 3.889 0.030 . 2 . . . . 56 PRO HD2 . 10271 1 584 . 1 1 56 56 PRO HD3 H 1 3.740 0.030 . 2 . . . . 56 PRO HD3 . 10271 1 585 . 1 1 56 56 PRO HG2 H 1 2.152 0.030 . 2 . . . . 56 PRO HG2 . 10271 1 586 . 1 1 56 56 PRO HG3 H 1 2.117 0.030 . 2 . . . . 56 PRO HG3 . 10271 1 587 . 1 1 56 56 PRO C C 13 176.935 0.300 . 1 . . . . 56 PRO C . 10271 1 588 . 1 1 56 56 PRO CA C 13 62.303 0.300 . 1 . . . . 56 PRO CA . 10271 1 589 . 1 1 56 56 PRO CB C 13 32.745 0.300 . 1 . . . . 56 PRO CB . 10271 1 590 . 1 1 56 56 PRO CD C 13 50.517 0.300 . 1 . . . . 56 PRO CD . 10271 1 591 . 1 1 56 56 PRO CG C 13 27.858 0.300 . 1 . . . . 56 PRO CG . 10271 1 592 . 1 1 57 57 GLY H H 1 8.240 0.030 . 1 . . . . 57 GLY H . 10271 1 593 . 1 1 57 57 GLY HA2 H 1 3.839 0.030 . 2 . . . . 57 GLY HA2 . 10271 1 594 . 1 1 57 57 GLY HA3 H 1 3.547 0.030 . 2 . . . . 57 GLY HA3 . 10271 1 595 . 1 1 57 57 GLY C C 13 173.839 0.300 . 1 . . . . 57 GLY C . 10271 1 596 . 1 1 57 57 GLY CA C 13 47.092 0.300 . 1 . . . . 57 GLY CA . 10271 1 597 . 1 1 57 57 GLY N N 15 104.338 0.300 . 1 . . . . 57 GLY N . 10271 1 598 . 1 1 58 58 ASN H H 1 7.935 0.030 . 1 . . . . 58 ASN H . 10271 1 599 . 1 1 58 58 ASN HA H 1 4.778 0.030 . 1 . . . . 58 ASN HA . 10271 1 600 . 1 1 58 58 ASN HB2 H 1 3.080 0.030 . 2 . . . . 58 ASN HB2 . 10271 1 601 . 1 1 58 58 ASN HB3 H 1 2.807 0.030 . 2 . . . . 58 ASN HB3 . 10271 1 602 . 1 1 58 58 ASN HD21 H 1 7.635 0.030 . 2 . . . . 58 ASN HD21 . 10271 1 603 . 1 1 58 58 ASN HD22 H 1 6.838 0.030 . 2 . . . . 58 ASN HD22 . 10271 1 604 . 1 1 58 58 ASN C C 13 175.578 0.300 . 1 . . . . 58 ASN C . 10271 1 605 . 1 1 58 58 ASN CA C 13 52.176 0.300 . 1 . . . . 58 ASN CA . 10271 1 606 . 1 1 58 58 ASN CB C 13 37.384 0.300 . 1 . . . . 58 ASN CB . 10271 1 607 . 1 1 58 58 ASN N N 15 114.653 0.300 . 1 . . . . 58 ASN N . 10271 1 608 . 1 1 58 58 ASN ND2 N 15 111.866 0.300 . 1 . . . . 58 ASN ND2 . 10271 1 609 . 1 1 59 59 ALA H H 1 8.041 0.030 . 1 . . . . 59 ALA H . 10271 1 610 . 1 1 59 59 ALA HA H 1 4.360 0.030 . 1 . . . . 59 ALA HA . 10271 1 611 . 1 1 59 59 ALA HB1 H 1 1.689 0.030 . 1 . . . . 59 ALA HB . 10271 1 612 . 1 1 59 59 ALA HB2 H 1 1.689 0.030 . 1 . . . . 59 ALA HB . 10271 1 613 . 1 1 59 59 ALA HB3 H 1 1.689 0.030 . 1 . . . . 59 ALA HB . 10271 1 614 . 1 1 59 59 ALA C C 13 177.738 0.300 . 1 . . . . 59 ALA C . 10271 1 615 . 1 1 59 59 ALA CA C 13 52.792 0.300 . 1 . . . . 59 ALA CA . 10271 1 616 . 1 1 59 59 ALA CB C 13 20.834 0.300 . 1 . . . . 59 ALA CB . 10271 1 617 . 1 1 59 59 ALA N N 15 124.183 0.300 . 1 . . . . 59 ALA N . 10271 1 618 . 1 1 60 60 THR H H 1 8.274 0.030 . 1 . . . . 60 THR H . 10271 1 619 . 1 1 60 60 THR HA H 1 3.299 0.030 . 1 . . . . 60 THR HA . 10271 1 620 . 1 1 60 60 THR HB H 1 4.404 0.030 . 1 . . . . 60 THR HB . 10271 1 621 . 1 1 60 60 THR HG21 H 1 0.892 0.030 . 1 . . . . 60 THR HG2 . 10271 1 622 . 1 1 60 60 THR HG22 H 1 0.892 0.030 . 1 . . . . 60 THR HG2 . 10271 1 623 . 1 1 60 60 THR HG23 H 1 0.892 0.030 . 1 . . . . 60 THR HG2 . 10271 1 624 . 1 1 60 60 THR C C 13 171.681 0.300 . 1 . . . . 60 THR C . 10271 1 625 . 1 1 60 60 THR CA C 13 59.732 0.300 . 1 . . . . 60 THR CA . 10271 1 626 . 1 1 60 60 THR CB C 13 69.010 0.300 . 1 . . . . 60 THR CB . 10271 1 627 . 1 1 60 60 THR CG2 C 13 21.608 0.300 . 1 . . . . 60 THR CG2 . 10271 1 628 . 1 1 60 60 THR N N 15 108.095 0.300 . 1 . . . . 60 THR N . 10271 1 629 . 1 1 61 61 SER H H 1 6.728 0.030 . 1 . . . . 61 SER H . 10271 1 630 . 1 1 61 61 SER HA H 1 4.584 0.030 . 1 . . . . 61 SER HA . 10271 1 631 . 1 1 61 61 SER HB2 H 1 3.635 0.030 . 2 . . . . 61 SER HB2 . 10271 1 632 . 1 1 61 61 SER HB3 H 1 3.516 0.030 . 2 . . . . 61 SER HB3 . 10271 1 633 . 1 1 61 61 SER C C 13 172.948 0.300 . 1 . . . . 61 SER C . 10271 1 634 . 1 1 61 61 SER CA C 13 57.403 0.300 . 1 . . . . 61 SER CA . 10271 1 635 . 1 1 61 61 SER CB C 13 65.767 0.300 . 1 . . . . 61 SER CB . 10271 1 636 . 1 1 61 61 SER N N 15 110.991 0.300 . 1 . . . . 61 SER N . 10271 1 637 . 1 1 62 62 ALA H H 1 8.954 0.030 . 1 . . . . 62 ALA H . 10271 1 638 . 1 1 62 62 ALA HA H 1 4.581 0.030 . 1 . . . . 62 ALA HA . 10271 1 639 . 1 1 62 62 ALA HB1 H 1 1.348 0.030 . 1 . . . . 62 ALA HB . 10271 1 640 . 1 1 62 62 ALA HB2 H 1 1.348 0.030 . 1 . . . . 62 ALA HB . 10271 1 641 . 1 1 62 62 ALA HB3 H 1 1.348 0.030 . 1 . . . . 62 ALA HB . 10271 1 642 . 1 1 62 62 ALA C C 13 174.741 0.300 . 1 . . . . 62 ALA C . 10271 1 643 . 1 1 62 62 ALA CA C 13 51.949 0.300 . 1 . . . . 62 ALA CA . 10271 1 644 . 1 1 62 62 ALA CB C 13 21.659 0.300 . 1 . . . . 62 ALA CB . 10271 1 645 . 1 1 62 62 ALA N N 15 119.306 0.300 . 1 . . . . 62 ALA N . 10271 1 646 . 1 1 63 63 MET H H 1 8.599 0.030 . 1 . . . . 63 MET H . 10271 1 647 . 1 1 63 63 MET HA H 1 4.993 0.030 . 1 . . . . 63 MET HA . 10271 1 648 . 1 1 63 63 MET HB2 H 1 2.525 0.030 . 2 . . . . 63 MET HB2 . 10271 1 649 . 1 1 63 63 MET HB3 H 1 2.425 0.030 . 2 . . . . 63 MET HB3 . 10271 1 650 . 1 1 63 63 MET HE1 H 1 1.941 0.030 . 1 . . . . 63 MET HE . 10271 1 651 . 1 1 63 63 MET HE2 H 1 1.941 0.030 . 1 . . . . 63 MET HE . 10271 1 652 . 1 1 63 63 MET HE3 H 1 1.941 0.030 . 1 . . . . 63 MET HE . 10271 1 653 . 1 1 63 63 MET HG2 H 1 2.049 0.030 . 2 . . . . 63 MET HG2 . 10271 1 654 . 1 1 63 63 MET HG3 H 1 1.856 0.030 . 2 . . . . 63 MET HG3 . 10271 1 655 . 1 1 63 63 MET C C 13 175.386 0.300 . 1 . . . . 63 MET C . 10271 1 656 . 1 1 63 63 MET CA C 13 53.760 0.300 . 1 . . . . 63 MET CA . 10271 1 657 . 1 1 63 63 MET CB C 13 31.842 0.300 . 1 . . . . 63 MET CB . 10271 1 658 . 1 1 63 63 MET CE C 13 16.169 0.300 . 1 . . . . 63 MET CE . 10271 1 659 . 1 1 63 63 MET CG C 13 31.805 0.300 . 1 . . . . 63 MET CG . 10271 1 660 . 1 1 63 63 MET N N 15 120.537 0.300 . 1 . . . . 63 MET N . 10271 1 661 . 1 1 64 64 LEU H H 1 9.244 0.030 . 1 . . . . 64 LEU H . 10271 1 662 . 1 1 64 64 LEU HA H 1 4.494 0.030 . 1 . . . . 64 LEU HA . 10271 1 663 . 1 1 64 64 LEU HB2 H 1 1.575 0.030 . 2 . . . . 64 LEU HB2 . 10271 1 664 . 1 1 64 64 LEU HB3 H 1 0.333 0.030 . 2 . . . . 64 LEU HB3 . 10271 1 665 . 1 1 64 64 LEU HD11 H 1 0.521 0.030 . 1 . . . . 64 LEU HD1 . 10271 1 666 . 1 1 64 64 LEU HD12 H 1 0.521 0.030 . 1 . . . . 64 LEU HD1 . 10271 1 667 . 1 1 64 64 LEU HD13 H 1 0.521 0.030 . 1 . . . . 64 LEU HD1 . 10271 1 668 . 1 1 64 64 LEU HD21 H 1 0.601 0.030 . 1 . . . . 64 LEU HD2 . 10271 1 669 . 1 1 64 64 LEU HD22 H 1 0.601 0.030 . 1 . . . . 64 LEU HD2 . 10271 1 670 . 1 1 64 64 LEU HD23 H 1 0.601 0.030 . 1 . . . . 64 LEU HD2 . 10271 1 671 . 1 1 64 64 LEU HG H 1 1.717 0.030 . 1 . . . . 64 LEU HG . 10271 1 672 . 1 1 64 64 LEU C C 13 175.976 0.300 . 1 . . . . 64 LEU C . 10271 1 673 . 1 1 64 64 LEU CA C 13 52.988 0.300 . 1 . . . . 64 LEU CA . 10271 1 674 . 1 1 64 64 LEU CB C 13 42.785 0.300 . 1 . . . . 64 LEU CB . 10271 1 675 . 1 1 64 64 LEU CD1 C 13 25.515 0.300 . 2 . . . . 64 LEU CD1 . 10271 1 676 . 1 1 64 64 LEU CD2 C 13 22.643 0.300 . 2 . . . . 64 LEU CD2 . 10271 1 677 . 1 1 64 64 LEU CG C 13 26.594 0.300 . 1 . . . . 64 LEU CG . 10271 1 678 . 1 1 64 64 LEU N N 15 124.823 0.300 . 1 . . . . 64 LEU N . 10271 1 679 . 1 1 65 65 GLY H H 1 7.516 0.030 . 1 . . . . 65 GLY H . 10271 1 680 . 1 1 65 65 GLY HA2 H 1 4.505 0.030 . 2 . . . . 65 GLY HA2 . 10271 1 681 . 1 1 65 65 GLY HA3 H 1 3.237 0.030 . 2 . . . . 65 GLY HA3 . 10271 1 682 . 1 1 65 65 GLY C C 13 170.608 0.300 . 1 . . . . 65 GLY C . 10271 1 683 . 1 1 65 65 GLY CA C 13 44.505 0.300 . 1 . . . . 65 GLY CA . 10271 1 684 . 1 1 65 65 GLY N N 15 106.855 0.300 . 1 . . . . 65 GLY N . 10271 1 685 . 1 1 66 66 PRO HA H 1 4.626 0.030 . 1 . . . . 66 PRO HA . 10271 1 686 . 1 1 66 66 PRO HB2 H 1 2.418 0.030 . 2 . . . . 66 PRO HB2 . 10271 1 687 . 1 1 66 66 PRO HB3 H 1 2.064 0.030 . 2 . . . . 66 PRO HB3 . 10271 1 688 . 1 1 66 66 PRO HD2 H 1 3.687 0.030 . 2 . . . . 66 PRO HD2 . 10271 1 689 . 1 1 66 66 PRO HD3 H 1 3.634 0.030 . 2 . . . . 66 PRO HD3 . 10271 1 690 . 1 1 66 66 PRO HG2 H 1 2.056 0.030 . 2 . . . . 66 PRO HG2 . 10271 1 691 . 1 1 66 66 PRO HG3 H 1 1.962 0.030 . 2 . . . . 66 PRO HG3 . 10271 1 692 . 1 1 66 66 PRO C C 13 176.262 0.300 . 1 . . . . 66 PRO C . 10271 1 693 . 1 1 66 66 PRO CA C 13 62.542 0.300 . 1 . . . . 66 PRO CA . 10271 1 694 . 1 1 66 66 PRO CB C 13 34.107 0.300 . 1 . . . . 66 PRO CB . 10271 1 695 . 1 1 66 66 PRO CD C 13 50.442 0.300 . 1 . . . . 66 PRO CD . 10271 1 696 . 1 1 66 66 PRO CG C 13 25.544 0.300 . 1 . . . . 66 PRO CG . 10271 1 697 . 1 1 67 67 LEU H H 1 8.487 0.030 . 1 . . . . 67 LEU H . 10271 1 698 . 1 1 67 67 LEU HA H 1 4.586 0.030 . 1 . . . . 67 LEU HA . 10271 1 699 . 1 1 67 67 LEU HB2 H 1 1.480 0.030 . 2 . . . . 67 LEU HB2 . 10271 1 700 . 1 1 67 67 LEU HB3 H 1 0.982 0.030 . 2 . . . . 67 LEU HB3 . 10271 1 701 . 1 1 67 67 LEU HD11 H 1 -0.027 0.030 . 1 . . . . 67 LEU HD1 . 10271 1 702 . 1 1 67 67 LEU HD12 H 1 -0.027 0.030 . 1 . . . . 67 LEU HD1 . 10271 1 703 . 1 1 67 67 LEU HD13 H 1 -0.027 0.030 . 1 . . . . 67 LEU HD1 . 10271 1 704 . 1 1 67 67 LEU HD21 H 1 -0.503 0.030 . 1 . . . . 67 LEU HD2 . 10271 1 705 . 1 1 67 67 LEU HD22 H 1 -0.503 0.030 . 1 . . . . 67 LEU HD2 . 10271 1 706 . 1 1 67 67 LEU HD23 H 1 -0.503 0.030 . 1 . . . . 67 LEU HD2 . 10271 1 707 . 1 1 67 67 LEU HG H 1 1.082 0.030 . 1 . . . . 67 LEU HG . 10271 1 708 . 1 1 67 67 LEU C C 13 176.158 0.300 . 1 . . . . 67 LEU C . 10271 1 709 . 1 1 67 67 LEU CA C 13 52.335 0.300 . 1 . . . . 67 LEU CA . 10271 1 710 . 1 1 67 67 LEU CB C 13 43.440 0.300 . 1 . . . . 67 LEU CB . 10271 1 711 . 1 1 67 67 LEU CD1 C 13 24.439 0.300 . 2 . . . . 67 LEU CD1 . 10271 1 712 . 1 1 67 67 LEU CD2 C 13 20.810 0.300 . 2 . . . . 67 LEU CD2 . 10271 1 713 . 1 1 67 67 LEU CG C 13 26.766 0.300 . 1 . . . . 67 LEU CG . 10271 1 714 . 1 1 67 67 LEU N N 15 124.582 0.300 . 1 . . . . 67 LEU N . 10271 1 715 . 1 1 68 68 SER H H 1 8.958 0.030 . 1 . . . . 68 SER H . 10271 1 716 . 1 1 68 68 SER HA H 1 4.529 0.030 . 1 . . . . 68 SER HA . 10271 1 717 . 1 1 68 68 SER HB2 H 1 3.913 0.030 . 2 . . . . 68 SER HB2 . 10271 1 718 . 1 1 68 68 SER HB3 H 1 3.805 0.030 . 2 . . . . 68 SER HB3 . 10271 1 719 . 1 1 68 68 SER C C 13 174.360 0.300 . 1 . . . . 68 SER C . 10271 1 720 . 1 1 68 68 SER CA C 13 58.649 0.300 . 1 . . . . 68 SER CA . 10271 1 721 . 1 1 68 68 SER CB C 13 64.239 0.300 . 1 . . . . 68 SER CB . 10271 1 722 . 1 1 68 68 SER N N 15 117.670 0.300 . 1 . . . . 68 SER N . 10271 1 723 . 1 1 69 69 SER H H 1 8.511 0.030 . 1 . . . . 69 SER H . 10271 1 724 . 1 1 69 69 SER HA H 1 5.085 0.030 . 1 . . . . 69 SER HA . 10271 1 725 . 1 1 69 69 SER HB2 H 1 4.303 0.030 . 2 . . . . 69 SER HB2 . 10271 1 726 . 1 1 69 69 SER HB3 H 1 4.235 0.030 . 2 . . . . 69 SER HB3 . 10271 1 727 . 1 1 69 69 SER C C 13 175.660 0.300 . 1 . . . . 69 SER C . 10271 1 728 . 1 1 69 69 SER CA C 13 59.071 0.300 . 1 . . . . 69 SER CA . 10271 1 729 . 1 1 69 69 SER CB C 13 64.439 0.300 . 1 . . . . 69 SER CB . 10271 1 730 . 1 1 69 69 SER N N 15 119.760 0.300 . 1 . . . . 69 SER N . 10271 1 731 . 1 1 70 70 SER H H 1 7.974 0.030 . 1 . . . . 70 SER H . 10271 1 732 . 1 1 70 70 SER HA H 1 3.799 0.030 . 1 . . . . 70 SER HA . 10271 1 733 . 1 1 70 70 SER HB2 H 1 3.987 0.030 . 2 . . . . 70 SER HB2 . 10271 1 734 . 1 1 70 70 SER HB3 H 1 3.684 0.030 . 2 . . . . 70 SER HB3 . 10271 1 735 . 1 1 70 70 SER C C 13 173.645 0.300 . 1 . . . . 70 SER C . 10271 1 736 . 1 1 70 70 SER CA C 13 58.453 0.300 . 1 . . . . 70 SER CA . 10271 1 737 . 1 1 70 70 SER CB C 13 62.477 0.300 . 1 . . . . 70 SER CB . 10271 1 738 . 1 1 70 70 SER N N 15 121.170 0.300 . 1 . . . . 70 SER N . 10271 1 739 . 1 1 71 71 THR H H 1 8.325 0.030 . 1 . . . . 71 THR H . 10271 1 740 . 1 1 71 71 THR HA H 1 4.482 0.030 . 1 . . . . 71 THR HA . 10271 1 741 . 1 1 71 71 THR HB H 1 3.678 0.030 . 1 . . . . 71 THR HB . 10271 1 742 . 1 1 71 71 THR HG21 H 1 0.725 0.030 . 1 . . . . 71 THR HG2 . 10271 1 743 . 1 1 71 71 THR HG22 H 1 0.725 0.030 . 1 . . . . 71 THR HG2 . 10271 1 744 . 1 1 71 71 THR HG23 H 1 0.725 0.030 . 1 . . . . 71 THR HG2 . 10271 1 745 . 1 1 71 71 THR C C 13 171.950 0.300 . 1 . . . . 71 THR C . 10271 1 746 . 1 1 71 71 THR CA C 13 62.453 0.300 . 1 . . . . 71 THR CA . 10271 1 747 . 1 1 71 71 THR CB C 13 72.120 0.300 . 1 . . . . 71 THR CB . 10271 1 748 . 1 1 71 71 THR CG2 C 13 20.983 0.300 . 1 . . . . 71 THR CG2 . 10271 1 749 . 1 1 71 71 THR N N 15 115.265 0.300 . 1 . . . . 71 THR N . 10271 1 750 . 1 1 72 72 THR H H 1 8.963 0.030 . 1 . . . . 72 THR H . 10271 1 751 . 1 1 72 72 THR HA H 1 5.044 0.030 . 1 . . . . 72 THR HA . 10271 1 752 . 1 1 72 72 THR HB H 1 3.829 0.030 . 1 . . . . 72 THR HB . 10271 1 753 . 1 1 72 72 THR HG21 H 1 1.002 0.030 . 1 . . . . 72 THR HG2 . 10271 1 754 . 1 1 72 72 THR HG22 H 1 1.002 0.030 . 1 . . . . 72 THR HG2 . 10271 1 755 . 1 1 72 72 THR HG23 H 1 1.002 0.030 . 1 . . . . 72 THR HG2 . 10271 1 756 . 1 1 72 72 THR C C 13 173.198 0.300 . 1 . . . . 72 THR C . 10271 1 757 . 1 1 72 72 THR CA C 13 62.216 0.300 . 1 . . . . 72 THR CA . 10271 1 758 . 1 1 72 72 THR CB C 13 69.392 0.300 . 1 . . . . 72 THR CB . 10271 1 759 . 1 1 72 72 THR CG2 C 13 21.624 0.300 . 1 . . . . 72 THR CG2 . 10271 1 760 . 1 1 72 72 THR N N 15 124.221 0.300 . 1 . . . . 72 THR N . 10271 1 761 . 1 1 73 73 TYR H H 1 9.711 0.030 . 1 . . . . 73 TYR H . 10271 1 762 . 1 1 73 73 TYR HA H 1 4.852 0.030 . 1 . . . . 73 TYR HA . 10271 1 763 . 1 1 73 73 TYR HB2 H 1 2.467 0.030 . 1 . . . . 73 TYR HB2 . 10271 1 764 . 1 1 73 73 TYR HB3 H 1 2.467 0.030 . 1 . . . . 73 TYR HB3 . 10271 1 765 . 1 1 73 73 TYR HD1 H 1 6.835 0.030 . 1 . . . . 73 TYR HD1 . 10271 1 766 . 1 1 73 73 TYR HD2 H 1 6.835 0.030 . 1 . . . . 73 TYR HD2 . 10271 1 767 . 1 1 73 73 TYR C C 13 175.854 0.300 . 1 . . . . 73 TYR C . 10271 1 768 . 1 1 73 73 TYR CA C 13 57.596 0.300 . 1 . . . . 73 TYR CA . 10271 1 769 . 1 1 73 73 TYR CB C 13 41.377 0.300 . 1 . . . . 73 TYR CB . 10271 1 770 . 1 1 73 73 TYR CD1 C 13 132.577 0.300 . 1 . . . . 73 TYR CD1 . 10271 1 771 . 1 1 73 73 TYR CD2 C 13 132.577 0.300 . 1 . . . . 73 TYR CD2 . 10271 1 772 . 1 1 73 73 TYR CE1 C 13 120.100 0.300 . 1 . . . . 73 TYR CE1 . 10271 1 773 . 1 1 73 73 TYR CE2 C 13 120.100 0.300 . 1 . . . . 73 TYR CE2 . 10271 1 774 . 1 1 73 73 TYR N N 15 126.553 0.300 . 1 . . . . 73 TYR N . 10271 1 775 . 1 1 74 74 THR H H 1 8.981 0.030 . 1 . . . . 74 THR H . 10271 1 776 . 1 1 74 74 THR HA H 1 4.648 0.030 . 1 . . . . 74 THR HA . 10271 1 777 . 1 1 74 74 THR HB H 1 4.057 0.030 . 1 . . . . 74 THR HB . 10271 1 778 . 1 1 74 74 THR HG21 H 1 1.141 0.030 . 1 . . . . 74 THR HG2 . 10271 1 779 . 1 1 74 74 THR HG22 H 1 1.141 0.030 . 1 . . . . 74 THR HG2 . 10271 1 780 . 1 1 74 74 THR HG23 H 1 1.141 0.030 . 1 . . . . 74 THR HG2 . 10271 1 781 . 1 1 74 74 THR C C 13 174.296 0.300 . 1 . . . . 74 THR C . 10271 1 782 . 1 1 74 74 THR CA C 13 63.156 0.300 . 1 . . . . 74 THR CA . 10271 1 783 . 1 1 74 74 THR CB C 13 68.916 0.300 . 1 . . . . 74 THR CB . 10271 1 784 . 1 1 74 74 THR CG2 C 13 21.505 0.300 . 1 . . . . 74 THR CG2 . 10271 1 785 . 1 1 74 74 THR N N 15 118.190 0.300 . 1 . . . . 74 THR N . 10271 1 786 . 1 1 75 75 VAL H H 1 9.376 0.030 . 1 . . . . 75 VAL H . 10271 1 787 . 1 1 75 75 VAL HA H 1 4.951 0.030 . 1 . . . . 75 VAL HA . 10271 1 788 . 1 1 75 75 VAL HB H 1 1.903 0.030 . 1 . . . . 75 VAL HB . 10271 1 789 . 1 1 75 75 VAL HG11 H 1 0.910 0.030 . 1 . . . . 75 VAL HG1 . 10271 1 790 . 1 1 75 75 VAL HG12 H 1 0.910 0.030 . 1 . . . . 75 VAL HG1 . 10271 1 791 . 1 1 75 75 VAL HG13 H 1 0.910 0.030 . 1 . . . . 75 VAL HG1 . 10271 1 792 . 1 1 75 75 VAL HG21 H 1 0.842 0.030 . 1 . . . . 75 VAL HG2 . 10271 1 793 . 1 1 75 75 VAL HG22 H 1 0.842 0.030 . 1 . . . . 75 VAL HG2 . 10271 1 794 . 1 1 75 75 VAL HG23 H 1 0.842 0.030 . 1 . . . . 75 VAL HG2 . 10271 1 795 . 1 1 75 75 VAL C C 13 173.554 0.300 . 1 . . . . 75 VAL C . 10271 1 796 . 1 1 75 75 VAL CA C 13 61.004 0.300 . 1 . . . . 75 VAL CA . 10271 1 797 . 1 1 75 75 VAL CB C 13 34.541 0.300 . 1 . . . . 75 VAL CB . 10271 1 798 . 1 1 75 75 VAL CG1 C 13 21.855 0.300 . 2 . . . . 75 VAL CG1 . 10271 1 799 . 1 1 75 75 VAL CG2 C 13 21.518 0.300 . 2 . . . . 75 VAL CG2 . 10271 1 800 . 1 1 75 75 VAL N N 15 130.973 0.300 . 1 . . . . 75 VAL N . 10271 1 801 . 1 1 76 76 ARG H H 1 9.023 0.030 . 1 . . . . 76 ARG H . 10271 1 802 . 1 1 76 76 ARG HA H 1 5.218 0.030 . 1 . . . . 76 ARG HA . 10271 1 803 . 1 1 76 76 ARG HB2 H 1 1.713 0.030 . 2 . . . . 76 ARG HB2 . 10271 1 804 . 1 1 76 76 ARG HB3 H 1 1.462 0.030 . 2 . . . . 76 ARG HB3 . 10271 1 805 . 1 1 76 76 ARG HD2 H 1 3.046 0.030 . 2 . . . . 76 ARG HD2 . 10271 1 806 . 1 1 76 76 ARG HD3 H 1 2.991 0.030 . 2 . . . . 76 ARG HD3 . 10271 1 807 . 1 1 76 76 ARG HG2 H 1 1.465 0.030 . 1 . . . . 76 ARG HG2 . 10271 1 808 . 1 1 76 76 ARG HG3 H 1 1.465 0.030 . 1 . . . . 76 ARG HG3 . 10271 1 809 . 1 1 76 76 ARG C C 13 175.034 0.300 . 1 . . . . 76 ARG C . 10271 1 810 . 1 1 76 76 ARG CA C 13 54.501 0.300 . 1 . . . . 76 ARG CA . 10271 1 811 . 1 1 76 76 ARG CB C 13 32.621 0.300 . 1 . . . . 76 ARG CB . 10271 1 812 . 1 1 76 76 ARG CD C 13 43.601 0.300 . 1 . . . . 76 ARG CD . 10271 1 813 . 1 1 76 76 ARG CG C 13 28.188 0.300 . 1 . . . . 76 ARG CG . 10271 1 814 . 1 1 76 76 ARG N N 15 126.030 0.300 . 1 . . . . 76 ARG N . 10271 1 815 . 1 1 77 77 VAL H H 1 9.155 0.030 . 1 . . . . 77 VAL H . 10271 1 816 . 1 1 77 77 VAL HA H 1 4.165 0.030 . 1 . . . . 77 VAL HA . 10271 1 817 . 1 1 77 77 VAL HB H 1 1.471 0.030 . 1 . . . . 77 VAL HB . 10271 1 818 . 1 1 77 77 VAL HG11 H 1 -0.578 0.030 . 1 . . . . 77 VAL HG1 . 10271 1 819 . 1 1 77 77 VAL HG12 H 1 -0.578 0.030 . 1 . . . . 77 VAL HG1 . 10271 1 820 . 1 1 77 77 VAL HG13 H 1 -0.578 0.030 . 1 . . . . 77 VAL HG1 . 10271 1 821 . 1 1 77 77 VAL HG21 H 1 0.545 0.030 . 1 . . . . 77 VAL HG2 . 10271 1 822 . 1 1 77 77 VAL HG22 H 1 0.545 0.030 . 1 . . . . 77 VAL HG2 . 10271 1 823 . 1 1 77 77 VAL HG23 H 1 0.545 0.030 . 1 . . . . 77 VAL HG2 . 10271 1 824 . 1 1 77 77 VAL C C 13 174.967 0.300 . 1 . . . . 77 VAL C . 10271 1 825 . 1 1 77 77 VAL CA C 13 61.626 0.300 . 1 . . . . 77 VAL CA . 10271 1 826 . 1 1 77 77 VAL CB C 13 33.367 0.300 . 1 . . . . 77 VAL CB . 10271 1 827 . 1 1 77 77 VAL CG1 C 13 19.037 0.300 . 2 . . . . 77 VAL CG1 . 10271 1 828 . 1 1 77 77 VAL CG2 C 13 22.365 0.300 . 2 . . . . 77 VAL CG2 . 10271 1 829 . 1 1 77 77 VAL N N 15 125.903 0.300 . 1 . . . . 77 VAL N . 10271 1 830 . 1 1 78 78 THR H H 1 9.313 0.030 . 1 . . . . 78 THR H . 10271 1 831 . 1 1 78 78 THR HA H 1 5.121 0.030 . 1 . . . . 78 THR HA . 10271 1 832 . 1 1 78 78 THR HB H 1 3.814 0.030 . 1 . . . . 78 THR HB . 10271 1 833 . 1 1 78 78 THR HG21 H 1 0.977 0.030 . 1 . . . . 78 THR HG2 . 10271 1 834 . 1 1 78 78 THR HG22 H 1 0.977 0.030 . 1 . . . . 78 THR HG2 . 10271 1 835 . 1 1 78 78 THR HG23 H 1 0.977 0.030 . 1 . . . . 78 THR HG2 . 10271 1 836 . 1 1 78 78 THR C C 13 173.388 0.300 . 1 . . . . 78 THR C . 10271 1 837 . 1 1 78 78 THR CA C 13 61.286 0.300 . 1 . . . . 78 THR CA . 10271 1 838 . 1 1 78 78 THR CB C 13 70.432 0.300 . 1 . . . . 78 THR CB . 10271 1 839 . 1 1 78 78 THR CG2 C 13 21.624 0.300 . 1 . . . . 78 THR CG2 . 10271 1 840 . 1 1 78 78 THR N N 15 126.547 0.300 . 1 . . . . 78 THR N . 10271 1 841 . 1 1 79 79 CYS H H 1 8.807 0.030 . 1 . . . . 79 CYS H . 10271 1 842 . 1 1 79 79 CYS HA H 1 4.410 0.030 . 1 . . . . 79 CYS HA . 10271 1 843 . 1 1 79 79 CYS HB2 H 1 2.742 0.030 . 2 . . . . 79 CYS HB2 . 10271 1 844 . 1 1 79 79 CYS HB3 H 1 2.367 0.030 . 2 . . . . 79 CYS HB3 . 10271 1 845 . 1 1 79 79 CYS C C 13 172.501 0.300 . 1 . . . . 79 CYS C . 10271 1 846 . 1 1 79 79 CYS CA C 13 58.141 0.300 . 1 . . . . 79 CYS CA . 10271 1 847 . 1 1 79 79 CYS CB C 13 28.102 0.300 . 1 . . . . 79 CYS CB . 10271 1 848 . 1 1 79 79 CYS N N 15 125.160 0.300 . 1 . . . . 79 CYS N . 10271 1 849 . 1 1 80 80 LEU H H 1 8.417 0.030 . 1 . . . . 80 LEU H . 10271 1 850 . 1 1 80 80 LEU HA H 1 4.377 0.030 . 1 . . . . 80 LEU HA . 10271 1 851 . 1 1 80 80 LEU HB2 H 1 1.658 0.030 . 2 . . . . 80 LEU HB2 . 10271 1 852 . 1 1 80 80 LEU HB3 H 1 1.571 0.030 . 2 . . . . 80 LEU HB3 . 10271 1 853 . 1 1 80 80 LEU HD11 H 1 0.760 0.030 . 1 . . . . 80 LEU HD1 . 10271 1 854 . 1 1 80 80 LEU HD12 H 1 0.760 0.030 . 1 . . . . 80 LEU HD1 . 10271 1 855 . 1 1 80 80 LEU HD13 H 1 0.760 0.030 . 1 . . . . 80 LEU HD1 . 10271 1 856 . 1 1 80 80 LEU HD21 H 1 0.753 0.030 . 1 . . . . 80 LEU HD2 . 10271 1 857 . 1 1 80 80 LEU HD22 H 1 0.753 0.030 . 1 . . . . 80 LEU HD2 . 10271 1 858 . 1 1 80 80 LEU HD23 H 1 0.753 0.030 . 1 . . . . 80 LEU HD2 . 10271 1 859 . 1 1 80 80 LEU HG H 1 1.436 0.030 . 1 . . . . 80 LEU HG . 10271 1 860 . 1 1 80 80 LEU C C 13 175.846 0.300 . 1 . . . . 80 LEU C . 10271 1 861 . 1 1 80 80 LEU CA C 13 54.400 0.300 . 1 . . . . 80 LEU CA . 10271 1 862 . 1 1 80 80 LEU CB C 13 41.520 0.300 . 1 . . . . 80 LEU CB . 10271 1 863 . 1 1 80 80 LEU CD1 C 13 25.406 0.300 . 2 . . . . 80 LEU CD1 . 10271 1 864 . 1 1 80 80 LEU CD2 C 13 24.528 0.300 . 2 . . . . 80 LEU CD2 . 10271 1 865 . 1 1 80 80 LEU CG C 13 27.912 0.300 . 1 . . . . 80 LEU CG . 10271 1 866 . 1 1 80 80 LEU N N 15 123.584 0.300 . 1 . . . . 80 LEU N . 10271 1 867 . 1 1 81 81 TYR H H 1 8.090 0.030 . 1 . . . . 81 TYR H . 10271 1 868 . 1 1 81 81 TYR HA H 1 5.085 0.030 . 1 . . . . 81 TYR HA . 10271 1 869 . 1 1 81 81 TYR HB2 H 1 3.293 0.030 . 2 . . . . 81 TYR HB2 . 10271 1 870 . 1 1 81 81 TYR HB3 H 1 2.639 0.030 . 2 . . . . 81 TYR HB3 . 10271 1 871 . 1 1 81 81 TYR HD1 H 1 7.064 0.030 . 1 . . . . 81 TYR HD1 . 10271 1 872 . 1 1 81 81 TYR HD2 H 1 7.064 0.030 . 1 . . . . 81 TYR HD2 . 10271 1 873 . 1 1 81 81 TYR HE1 H 1 6.502 0.030 . 1 . . . . 81 TYR HE1 . 10271 1 874 . 1 1 81 81 TYR HE2 H 1 6.502 0.030 . 1 . . . . 81 TYR HE2 . 10271 1 875 . 1 1 81 81 TYR C C 13 175.341 0.300 . 1 . . . . 81 TYR C . 10271 1 876 . 1 1 81 81 TYR CA C 13 55.561 0.300 . 1 . . . . 81 TYR CA . 10271 1 877 . 1 1 81 81 TYR CB C 13 36.792 0.300 . 1 . . . . 81 TYR CB . 10271 1 878 . 1 1 81 81 TYR CD1 C 13 132.373 0.300 . 1 . . . . 81 TYR CD1 . 10271 1 879 . 1 1 81 81 TYR CD2 C 13 132.373 0.300 . 1 . . . . 81 TYR CD2 . 10271 1 880 . 1 1 81 81 TYR CE1 C 13 117.963 0.300 . 1 . . . . 81 TYR CE1 . 10271 1 881 . 1 1 81 81 TYR CE2 C 13 117.963 0.300 . 1 . . . . 81 TYR CE2 . 10271 1 882 . 1 1 81 81 TYR N N 15 123.717 0.300 . 1 . . . . 81 TYR N . 10271 1 883 . 1 1 82 82 PRO HA H 1 4.358 0.030 . 1 . . . . 82 PRO HA . 10271 1 884 . 1 1 82 82 PRO HB2 H 1 2.346 0.030 . 2 . . . . 82 PRO HB2 . 10271 1 885 . 1 1 82 82 PRO HB3 H 1 2.014 0.030 . 2 . . . . 82 PRO HB3 . 10271 1 886 . 1 1 82 82 PRO HD2 H 1 4.000 0.030 . 2 . . . . 82 PRO HD2 . 10271 1 887 . 1 1 82 82 PRO HD3 H 1 3.799 0.030 . 2 . . . . 82 PRO HD3 . 10271 1 888 . 1 1 82 82 PRO HG2 H 1 2.164 0.030 . 2 . . . . 82 PRO HG2 . 10271 1 889 . 1 1 82 82 PRO HG3 H 1 1.941 0.030 . 2 . . . . 82 PRO HG3 . 10271 1 890 . 1 1 82 82 PRO CA C 13 64.469 0.300 . 1 . . . . 82 PRO CA . 10271 1 891 . 1 1 82 82 PRO CB C 13 31.395 0.300 . 1 . . . . 82 PRO CB . 10271 1 892 . 1 1 82 82 PRO CD C 13 51.096 0.300 . 1 . . . . 82 PRO CD . 10271 1 893 . 1 1 82 82 PRO CG C 13 27.923 0.300 . 1 . . . . 82 PRO CG . 10271 1 894 . 1 1 83 83 GLY HA2 H 1 4.164 0.030 . 2 . . . . 83 GLY HA2 . 10271 1 895 . 1 1 83 83 GLY HA3 H 1 3.880 0.030 . 2 . . . . 83 GLY HA3 . 10271 1 896 . 1 1 83 83 GLY C C 13 174.832 0.300 . 1 . . . . 83 GLY C . 10271 1 897 . 1 1 83 83 GLY CA C 13 45.437 0.300 . 1 . . . . 83 GLY CA . 10271 1 898 . 1 1 84 84 GLY H H 1 7.641 0.030 . 1 . . . . 84 GLY H . 10271 1 899 . 1 1 84 84 GLY HA2 H 1 4.581 0.030 . 2 . . . . 84 GLY HA2 . 10271 1 900 . 1 1 84 84 GLY HA3 H 1 3.788 0.030 . 2 . . . . 84 GLY HA3 . 10271 1 901 . 1 1 84 84 GLY C C 13 174.354 0.300 . 1 . . . . 84 GLY C . 10271 1 902 . 1 1 84 84 GLY CA C 13 44.801 0.300 . 1 . . . . 84 GLY CA . 10271 1 903 . 1 1 84 84 GLY N N 15 107.816 0.300 . 1 . . . . 84 GLY N . 10271 1 904 . 1 1 85 85 GLY H H 1 8.303 0.030 . 1 . . . . 85 GLY H . 10271 1 905 . 1 1 85 85 GLY HA2 H 1 4.322 0.030 . 2 . . . . 85 GLY HA2 . 10271 1 906 . 1 1 85 85 GLY HA3 H 1 4.113 0.030 . 2 . . . . 85 GLY HA3 . 10271 1 907 . 1 1 85 85 GLY C C 13 172.757 0.300 . 1 . . . . 85 GLY C . 10271 1 908 . 1 1 85 85 GLY CA C 13 44.602 0.300 . 1 . . . . 85 GLY CA . 10271 1 909 . 1 1 85 85 GLY N N 15 108.998 0.300 . 1 . . . . 85 GLY N . 10271 1 910 . 1 1 86 86 SER H H 1 8.361 0.030 . 1 . . . . 86 SER H . 10271 1 911 . 1 1 86 86 SER HA H 1 5.024 0.030 . 1 . . . . 86 SER HA . 10271 1 912 . 1 1 86 86 SER HB2 H 1 3.845 0.030 . 2 . . . . 86 SER HB2 . 10271 1 913 . 1 1 86 86 SER HB3 H 1 3.504 0.030 . 2 . . . . 86 SER HB3 . 10271 1 914 . 1 1 86 86 SER C C 13 173.484 0.300 . 1 . . . . 86 SER C . 10271 1 915 . 1 1 86 86 SER CA C 13 57.738 0.300 . 1 . . . . 86 SER CA . 10271 1 916 . 1 1 86 86 SER CB C 13 66.693 0.300 . 1 . . . . 86 SER CB . 10271 1 917 . 1 1 86 86 SER N N 15 111.910 0.300 . 1 . . . . 86 SER N . 10271 1 918 . 1 1 87 87 SER H H 1 8.105 0.030 . 1 . . . . 87 SER H . 10271 1 919 . 1 1 87 87 SER HA H 1 4.827 0.030 . 1 . . . . 87 SER HA . 10271 1 920 . 1 1 87 87 SER HB2 H 1 3.883 0.030 . 1 . . . . 87 SER HB2 . 10271 1 921 . 1 1 87 87 SER HB3 H 1 3.883 0.030 . 1 . . . . 87 SER HB3 . 10271 1 922 . 1 1 87 87 SER C C 13 173.377 0.300 . 1 . . . . 87 SER C . 10271 1 923 . 1 1 87 87 SER CA C 13 57.737 0.300 . 1 . . . . 87 SER CA . 10271 1 924 . 1 1 87 87 SER CB C 13 65.849 0.300 . 1 . . . . 87 SER CB . 10271 1 925 . 1 1 87 87 SER N N 15 112.598 0.300 . 1 . . . . 87 SER N . 10271 1 926 . 1 1 88 88 THR H H 1 8.778 0.030 . 1 . . . . 88 THR H . 10271 1 927 . 1 1 88 88 THR HA H 1 5.439 0.030 . 1 . . . . 88 THR HA . 10271 1 928 . 1 1 88 88 THR HB H 1 3.737 0.030 . 1 . . . . 88 THR HB . 10271 1 929 . 1 1 88 88 THR HG21 H 1 0.964 0.030 . 1 . . . . 88 THR HG2 . 10271 1 930 . 1 1 88 88 THR HG22 H 1 0.964 0.030 . 1 . . . . 88 THR HG2 . 10271 1 931 . 1 1 88 88 THR HG23 H 1 0.964 0.030 . 1 . . . . 88 THR HG2 . 10271 1 932 . 1 1 88 88 THR C C 13 173.289 0.300 . 1 . . . . 88 THR C . 10271 1 933 . 1 1 88 88 THR CA C 13 62.083 0.300 . 1 . . . . 88 THR CA . 10271 1 934 . 1 1 88 88 THR CB C 13 72.001 0.300 . 1 . . . . 88 THR CB . 10271 1 935 . 1 1 88 88 THR CG2 C 13 21.588 0.300 . 1 . . . . 88 THR CG2 . 10271 1 936 . 1 1 88 88 THR N N 15 120.383 0.300 . 1 . . . . 88 THR N . 10271 1 937 . 1 1 89 89 LEU H H 1 8.832 0.030 . 1 . . . . 89 LEU H . 10271 1 938 . 1 1 89 89 LEU HA H 1 4.766 0.030 . 1 . . . . 89 LEU HA . 10271 1 939 . 1 1 89 89 LEU HB2 H 1 1.435 0.030 . 2 . . . . 89 LEU HB2 . 10271 1 940 . 1 1 89 89 LEU HB3 H 1 1.371 0.030 . 2 . . . . 89 LEU HB3 . 10271 1 941 . 1 1 89 89 LEU HD11 H 1 0.677 0.030 . 1 . . . . 89 LEU HD1 . 10271 1 942 . 1 1 89 89 LEU HD12 H 1 0.677 0.030 . 1 . . . . 89 LEU HD1 . 10271 1 943 . 1 1 89 89 LEU HD13 H 1 0.677 0.030 . 1 . . . . 89 LEU HD1 . 10271 1 944 . 1 1 89 89 LEU HD21 H 1 0.816 0.030 . 1 . . . . 89 LEU HD2 . 10271 1 945 . 1 1 89 89 LEU HD22 H 1 0.816 0.030 . 1 . . . . 89 LEU HD2 . 10271 1 946 . 1 1 89 89 LEU HD23 H 1 0.816 0.030 . 1 . . . . 89 LEU HD2 . 10271 1 947 . 1 1 89 89 LEU HG H 1 1.555 0.030 . 1 . . . . 89 LEU HG . 10271 1 948 . 1 1 89 89 LEU C C 13 175.440 0.300 . 1 . . . . 89 LEU C . 10271 1 949 . 1 1 89 89 LEU CA C 13 53.671 0.300 . 1 . . . . 89 LEU CA . 10271 1 950 . 1 1 89 89 LEU CB C 13 45.972 0.300 . 1 . . . . 89 LEU CB . 10271 1 951 . 1 1 89 89 LEU CD1 C 13 25.699 0.300 . 2 . . . . 89 LEU CD1 . 10271 1 952 . 1 1 89 89 LEU CD2 C 13 24.013 0.300 . 2 . . . . 89 LEU CD2 . 10271 1 953 . 1 1 89 89 LEU CG C 13 27.142 0.300 . 1 . . . . 89 LEU CG . 10271 1 954 . 1 1 89 89 LEU N N 15 128.653 0.300 . 1 . . . . 89 LEU N . 10271 1 955 . 1 1 90 90 THR H H 1 8.576 0.030 . 1 . . . . 90 THR H . 10271 1 956 . 1 1 90 90 THR HA H 1 5.622 0.030 . 1 . . . . 90 THR HA . 10271 1 957 . 1 1 90 90 THR HB H 1 3.968 0.030 . 1 . . . . 90 THR HB . 10271 1 958 . 1 1 90 90 THR HG21 H 1 1.136 0.030 . 1 . . . . 90 THR HG2 . 10271 1 959 . 1 1 90 90 THR HG22 H 1 1.136 0.030 . 1 . . . . 90 THR HG2 . 10271 1 960 . 1 1 90 90 THR HG23 H 1 1.136 0.030 . 1 . . . . 90 THR HG2 . 10271 1 961 . 1 1 90 90 THR C C 13 174.307 0.300 . 1 . . . . 90 THR C . 10271 1 962 . 1 1 90 90 THR CA C 13 60.799 0.300 . 1 . . . . 90 THR CA . 10271 1 963 . 1 1 90 90 THR CB C 13 71.589 0.300 . 1 . . . . 90 THR CB . 10271 1 964 . 1 1 90 90 THR CG2 C 13 21.333 0.300 . 1 . . . . 90 THR CG2 . 10271 1 965 . 1 1 90 90 THR N N 15 115.259 0.300 . 1 . . . . 90 THR N . 10271 1 966 . 1 1 91 91 GLY H H 1 9.071 0.030 . 1 . . . . 91 GLY H . 10271 1 967 . 1 1 91 91 GLY HA2 H 1 4.605 0.030 . 2 . . . . 91 GLY HA2 . 10271 1 968 . 1 1 91 91 GLY HA3 H 1 3.960 0.030 . 2 . . . . 91 GLY HA3 . 10271 1 969 . 1 1 91 91 GLY C C 13 170.717 0.300 . 1 . . . . 91 GLY C . 10271 1 970 . 1 1 91 91 GLY CA C 13 45.314 0.300 . 1 . . . . 91 GLY CA . 10271 1 971 . 1 1 91 91 GLY N N 15 112.300 0.300 . 1 . . . . 91 GLY N . 10271 1 972 . 1 1 92 92 ARG H H 1 8.558 0.030 . 1 . . . . 92 ARG H . 10271 1 973 . 1 1 92 92 ARG HA H 1 5.594 0.030 . 1 . . . . 92 ARG HA . 10271 1 974 . 1 1 92 92 ARG HB2 H 1 1.583 0.030 . 1 . . . . 92 ARG HB2 . 10271 1 975 . 1 1 92 92 ARG HB3 H 1 1.583 0.030 . 1 . . . . 92 ARG HB3 . 10271 1 976 . 1 1 92 92 ARG HD2 H 1 3.044 0.030 . 1 . . . . 92 ARG HD2 . 10271 1 977 . 1 1 92 92 ARG HD3 H 1 3.044 0.030 . 1 . . . . 92 ARG HD3 . 10271 1 978 . 1 1 92 92 ARG HG2 H 1 1.568 0.030 . 1 . . . . 92 ARG HG2 . 10271 1 979 . 1 1 92 92 ARG HG3 H 1 1.568 0.030 . 1 . . . . 92 ARG HG3 . 10271 1 980 . 1 1 92 92 ARG C C 13 173.260 0.300 . 1 . . . . 92 ARG C . 10271 1 981 . 1 1 92 92 ARG CA C 13 54.806 0.300 . 1 . . . . 92 ARG CA . 10271 1 982 . 1 1 92 92 ARG CB C 13 34.464 0.300 . 1 . . . . 92 ARG CB . 10271 1 983 . 1 1 92 92 ARG CD C 13 43.873 0.300 . 1 . . . . 92 ARG CD . 10271 1 984 . 1 1 92 92 ARG CG C 13 27.390 0.300 . 1 . . . . 92 ARG CG . 10271 1 985 . 1 1 92 92 ARG N N 15 119.774 0.300 . 1 . . . . 92 ARG N . 10271 1 986 . 1 1 93 93 VAL H H 1 8.430 0.030 . 1 . . . . 93 VAL H . 10271 1 987 . 1 1 93 93 VAL HA H 1 4.081 0.030 . 1 . . . . 93 VAL HA . 10271 1 988 . 1 1 93 93 VAL HB H 1 -0.228 0.030 . 1 . . . . 93 VAL HB . 10271 1 989 . 1 1 93 93 VAL HG11 H 1 0.436 0.030 . 1 . . . . 93 VAL HG1 . 10271 1 990 . 1 1 93 93 VAL HG12 H 1 0.436 0.030 . 1 . . . . 93 VAL HG1 . 10271 1 991 . 1 1 93 93 VAL HG13 H 1 0.436 0.030 . 1 . . . . 93 VAL HG1 . 10271 1 992 . 1 1 93 93 VAL HG21 H 1 0.202 0.030 . 1 . . . . 93 VAL HG2 . 10271 1 993 . 1 1 93 93 VAL HG22 H 1 0.202 0.030 . 1 . . . . 93 VAL HG2 . 10271 1 994 . 1 1 93 93 VAL HG23 H 1 0.202 0.030 . 1 . . . . 93 VAL HG2 . 10271 1 995 . 1 1 93 93 VAL C C 13 171.210 0.300 . 1 . . . . 93 VAL C . 10271 1 996 . 1 1 93 93 VAL CA C 13 58.915 0.300 . 1 . . . . 93 VAL CA . 10271 1 997 . 1 1 93 93 VAL CB C 13 33.683 0.300 . 1 . . . . 93 VAL CB . 10271 1 998 . 1 1 93 93 VAL CG1 C 13 22.777 0.300 . 2 . . . . 93 VAL CG1 . 10271 1 999 . 1 1 93 93 VAL CG2 C 13 18.149 0.300 . 2 . . . . 93 VAL CG2 . 10271 1 1000 . 1 1 93 93 VAL N N 15 120.381 0.300 . 1 . . . . 93 VAL N . 10271 1 1001 . 1 1 94 94 THR H H 1 8.129 0.030 . 1 . . . . 94 THR H . 10271 1 1002 . 1 1 94 94 THR HA H 1 5.342 0.030 . 1 . . . . 94 THR HA . 10271 1 1003 . 1 1 94 94 THR HB H 1 3.651 0.030 . 1 . . . . 94 THR HB . 10271 1 1004 . 1 1 94 94 THR HG21 H 1 1.106 0.030 . 1 . . . . 94 THR HG2 . 10271 1 1005 . 1 1 94 94 THR HG22 H 1 1.106 0.030 . 1 . . . . 94 THR HG2 . 10271 1 1006 . 1 1 94 94 THR HG23 H 1 1.106 0.030 . 1 . . . . 94 THR HG2 . 10271 1 1007 . 1 1 94 94 THR C C 13 174.637 0.300 . 1 . . . . 94 THR C . 10271 1 1008 . 1 1 94 94 THR CA C 13 60.799 0.300 . 1 . . . . 94 THR CA . 10271 1 1009 . 1 1 94 94 THR CB C 13 70.768 0.300 . 1 . . . . 94 THR CB . 10271 1 1010 . 1 1 94 94 THR CG2 C 13 20.737 0.300 . 1 . . . . 94 THR CG2 . 10271 1 1011 . 1 1 94 94 THR N N 15 124.645 0.300 . 1 . . . . 94 THR N . 10271 1 1012 . 1 1 95 95 THR H H 1 8.906 0.030 . 1 . . . . 95 THR H . 10271 1 1013 . 1 1 95 95 THR HA H 1 4.115 0.030 . 1 . . . . 95 THR HA . 10271 1 1014 . 1 1 95 95 THR HB H 1 4.753 0.030 . 1 . . . . 95 THR HB . 10271 1 1015 . 1 1 95 95 THR HG21 H 1 1.093 0.030 . 1 . . . . 95 THR HG2 . 10271 1 1016 . 1 1 95 95 THR HG22 H 1 1.093 0.030 . 1 . . . . 95 THR HG2 . 10271 1 1017 . 1 1 95 95 THR HG23 H 1 1.093 0.030 . 1 . . . . 95 THR HG2 . 10271 1 1018 . 1 1 95 95 THR C C 13 175.367 0.300 . 1 . . . . 95 THR C . 10271 1 1019 . 1 1 95 95 THR CA C 13 60.909 0.300 . 1 . . . . 95 THR CA . 10271 1 1020 . 1 1 95 95 THR CB C 13 70.346 0.300 . 1 . . . . 95 THR CB . 10271 1 1021 . 1 1 95 95 THR CG2 C 13 24.476 0.300 . 1 . . . . 95 THR CG2 . 10271 1 1022 . 1 1 95 95 THR N N 15 116.835 0.300 . 1 . . . . 95 THR N . 10271 1 1023 . 1 1 96 96 LYS H H 1 7.372 0.030 . 1 . . . . 96 LYS H . 10271 1 1024 . 1 1 96 96 LYS HA H 1 4.189 0.030 . 1 . . . . 96 LYS HA . 10271 1 1025 . 1 1 96 96 LYS HB2 H 1 2.172 0.030 . 2 . . . . 96 LYS HB2 . 10271 1 1026 . 1 1 96 96 LYS HB3 H 1 1.353 0.030 . 2 . . . . 96 LYS HB3 . 10271 1 1027 . 1 1 96 96 LYS HD2 H 1 1.731 0.030 . 1 . . . . 96 LYS HD2 . 10271 1 1028 . 1 1 96 96 LYS HD3 H 1 1.731 0.030 . 1 . . . . 96 LYS HD3 . 10271 1 1029 . 1 1 96 96 LYS HE2 H 1 3.048 0.030 . 1 . . . . 96 LYS HE2 . 10271 1 1030 . 1 1 96 96 LYS HE3 H 1 3.048 0.030 . 1 . . . . 96 LYS HE3 . 10271 1 1031 . 1 1 96 96 LYS HG2 H 1 1.508 0.030 . 2 . . . . 96 LYS HG2 . 10271 1 1032 . 1 1 96 96 LYS HG3 H 1 1.343 0.030 . 2 . . . . 96 LYS HG3 . 10271 1 1033 . 1 1 96 96 LYS C C 13 176.308 0.300 . 1 . . . . 96 LYS C . 10271 1 1034 . 1 1 96 96 LYS CA C 13 55.207 0.300 . 1 . . . . 96 LYS CA . 10271 1 1035 . 1 1 96 96 LYS CB C 13 34.095 0.300 . 1 . . . . 96 LYS CB . 10271 1 1036 . 1 1 96 96 LYS CD C 13 28.811 0.300 . 1 . . . . 96 LYS CD . 10271 1 1037 . 1 1 96 96 LYS CE C 13 42.353 0.300 . 1 . . . . 96 LYS CE . 10271 1 1038 . 1 1 96 96 LYS CG C 13 25.743 0.300 . 1 . . . . 96 LYS CG . 10271 1 1039 . 1 1 96 96 LYS N N 15 116.829 0.300 . 1 . . . . 96 LYS N . 10271 1 1040 . 1 1 97 97 LYS H H 1 8.113 0.030 . 1 . . . . 97 LYS H . 10271 1 1041 . 1 1 97 97 LYS HA H 1 4.356 0.030 . 1 . . . . 97 LYS HA . 10271 1 1042 . 1 1 97 97 LYS HB2 H 1 1.710 0.030 . 1 . . . . 97 LYS HB2 . 10271 1 1043 . 1 1 97 97 LYS HB3 H 1 1.710 0.030 . 1 . . . . 97 LYS HB3 . 10271 1 1044 . 1 1 97 97 LYS HD2 H 1 1.658 0.030 . 1 . . . . 97 LYS HD2 . 10271 1 1045 . 1 1 97 97 LYS HD3 H 1 1.658 0.030 . 1 . . . . 97 LYS HD3 . 10271 1 1046 . 1 1 97 97 LYS HE2 H 1 2.988 0.030 . 1 . . . . 97 LYS HE2 . 10271 1 1047 . 1 1 97 97 LYS HE3 H 1 2.988 0.030 . 1 . . . . 97 LYS HE3 . 10271 1 1048 . 1 1 97 97 LYS HG2 H 1 1.507 0.030 . 2 . . . . 97 LYS HG2 . 10271 1 1049 . 1 1 97 97 LYS HG3 H 1 1.401 0.030 . 2 . . . . 97 LYS HG3 . 10271 1 1050 . 1 1 97 97 LYS C C 13 176.106 0.300 . 1 . . . . 97 LYS C . 10271 1 1051 . 1 1 97 97 LYS CA C 13 56.260 0.300 . 1 . . . . 97 LYS CA . 10271 1 1052 . 1 1 97 97 LYS CB C 13 33.140 0.300 . 1 . . . . 97 LYS CB . 10271 1 1053 . 1 1 97 97 LYS CD C 13 29.532 0.300 . 1 . . . . 97 LYS CD . 10271 1 1054 . 1 1 97 97 LYS CE C 13 42.079 0.300 . 1 . . . . 97 LYS CE . 10271 1 1055 . 1 1 97 97 LYS CG C 13 24.672 0.300 . 1 . . . . 97 LYS CG . 10271 1 1056 . 1 1 97 97 LYS N N 15 119.233 0.300 . 1 . . . . 97 LYS N . 10271 1 1057 . 1 1 98 98 ALA H H 1 8.484 0.030 . 1 . . . . 98 ALA H . 10271 1 1058 . 1 1 98 98 ALA HA H 1 4.054 0.030 . 1 . . . . 98 ALA HA . 10271 1 1059 . 1 1 98 98 ALA HB1 H 1 1.290 0.030 . 1 . . . . 98 ALA HB . 10271 1 1060 . 1 1 98 98 ALA HB2 H 1 1.290 0.030 . 1 . . . . 98 ALA HB . 10271 1 1061 . 1 1 98 98 ALA HB3 H 1 1.290 0.030 . 1 . . . . 98 ALA HB . 10271 1 1062 . 1 1 98 98 ALA C C 13 175.754 0.300 . 1 . . . . 98 ALA C . 10271 1 1063 . 1 1 98 98 ALA CA C 13 50.511 0.300 . 1 . . . . 98 ALA CA . 10271 1 1064 . 1 1 98 98 ALA CB C 13 17.093 0.300 . 1 . . . . 98 ALA CB . 10271 1 1065 . 1 1 98 98 ALA N N 15 126.424 0.300 . 1 . . . . 98 ALA N . 10271 1 1066 . 1 1 99 99 PRO HA H 1 4.313 0.030 . 1 . . . . 99 PRO HA . 10271 1 1067 . 1 1 99 99 PRO HB2 H 1 2.135 0.030 . 2 . . . . 99 PRO HB2 . 10271 1 1068 . 1 1 99 99 PRO HB3 H 1 1.746 0.030 . 2 . . . . 99 PRO HB3 . 10271 1 1069 . 1 1 99 99 PRO HD2 H 1 2.851 0.030 . 1 . . . . 99 PRO HD2 . 10271 1 1070 . 1 1 99 99 PRO HD3 H 1 2.851 0.030 . 1 . . . . 99 PRO HD3 . 10271 1 1071 . 1 1 99 99 PRO HG2 H 1 1.707 0.030 . 2 . . . . 99 PRO HG2 . 10271 1 1072 . 1 1 99 99 PRO HG3 H 1 1.647 0.030 . 2 . . . . 99 PRO HG3 . 10271 1 1073 . 1 1 99 99 PRO C C 13 176.506 0.300 . 1 . . . . 99 PRO C . 10271 1 1074 . 1 1 99 99 PRO CA C 13 62.584 0.300 . 1 . . . . 99 PRO CA . 10271 1 1075 . 1 1 99 99 PRO CB C 13 32.024 0.300 . 1 . . . . 99 PRO CB . 10271 1 1076 . 1 1 99 99 PRO CD C 13 49.677 0.300 . 1 . . . . 99 PRO CD . 10271 1 1077 . 1 1 99 99 PRO CG C 13 27.240 0.300 . 1 . . . . 99 PRO CG . 10271 1 1078 . 1 1 100 100 SER H H 1 8.377 0.030 . 1 . . . . 100 SER H . 10271 1 1079 . 1 1 100 100 SER HA H 1 4.688 0.030 . 1 . . . . 100 SER HA . 10271 1 1080 . 1 1 100 100 SER HB2 H 1 3.830 0.030 . 2 . . . . 100 SER HB2 . 10271 1 1081 . 1 1 100 100 SER HB3 H 1 3.783 0.030 . 2 . . . . 100 SER HB3 . 10271 1 1082 . 1 1 100 100 SER CA C 13 56.296 0.300 . 1 . . . . 100 SER CA . 10271 1 1083 . 1 1 100 100 SER CB C 13 63.276 0.300 . 1 . . . . 100 SER CB . 10271 1 1084 . 1 1 100 100 SER N N 15 117.700 0.300 . 1 . . . . 100 SER N . 10271 1 1085 . 1 1 101 101 PRO CD C 13 50.321 0.300 . 1 . . . . 101 PRO CD . 10271 1 1086 . 1 1 103 103 SER HA H 1 4.507 0.030 . 1 . . . . 103 SER HA . 10271 1 1087 . 1 1 103 103 SER HB2 H 1 3.892 0.030 . 1 . . . . 103 SER HB2 . 10271 1 1088 . 1 1 103 103 SER HB3 H 1 3.892 0.030 . 1 . . . . 103 SER HB3 . 10271 1 1089 . 1 1 103 103 SER CA C 13 58.198 0.300 . 1 . . . . 103 SER CA . 10271 1 1090 . 1 1 103 103 SER CB C 13 63.882 0.300 . 1 . . . . 103 SER CB . 10271 1 1091 . 1 1 104 104 GLY H H 1 8.233 0.030 . 1 . . . . 104 GLY H . 10271 1 1092 . 1 1 104 104 GLY HA2 H 1 4.124 0.030 . 1 . . . . 104 GLY HA2 . 10271 1 1093 . 1 1 104 104 GLY HA3 H 1 4.124 0.030 . 1 . . . . 104 GLY HA3 . 10271 1 1094 . 1 1 104 104 GLY CA C 13 44.608 0.300 . 1 . . . . 104 GLY CA . 10271 1 1095 . 1 1 104 104 GLY N N 15 110.600 0.300 . 1 . . . . 104 GLY N . 10271 1 1096 . 1 1 105 105 PRO HA H 1 4.460 0.030 . 1 . . . . 105 PRO HA . 10271 1 1097 . 1 1 105 105 PRO HB2 H 1 2.300 0.030 . 2 . . . . 105 PRO HB2 . 10271 1 1098 . 1 1 105 105 PRO HB3 H 1 1.938 0.030 . 2 . . . . 105 PRO HB3 . 10271 1 1099 . 1 1 105 105 PRO HD2 H 1 3.615 0.030 . 1 . . . . 105 PRO HD2 . 10271 1 1100 . 1 1 105 105 PRO HD3 H 1 3.615 0.030 . 1 . . . . 105 PRO HD3 . 10271 1 1101 . 1 1 105 105 PRO HG2 H 1 2.013 0.030 . 1 . . . . 105 PRO HG2 . 10271 1 1102 . 1 1 105 105 PRO HG3 H 1 2.013 0.030 . 1 . . . . 105 PRO HG3 . 10271 1 1103 . 1 1 105 105 PRO CA C 13 63.264 0.300 . 1 . . . . 105 PRO CA . 10271 1 1104 . 1 1 105 105 PRO CB C 13 32.094 0.300 . 1 . . . . 105 PRO CB . 10271 1 1105 . 1 1 105 105 PRO CD C 13 49.785 0.300 . 1 . . . . 105 PRO CD . 10271 1 1106 . 1 1 105 105 PRO CG C 13 27.358 0.300 . 1 . . . . 105 PRO CG . 10271 1 stop_ save_