data_10262 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10262 _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 2008-11-21 _Entry.Accession_date 2008-11-21 _Entry.Last_release_date 2009-11-24 _Entry.Original_release_date 2009-11-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 M. Sato . . . 10262 2 K. Saito . . . 10262 3 S. Koshiba . . . 10262 4 M. Inoue . . . 10262 5 T. Kigawa . . . 10262 6 S. Yokoyama . . . 10262 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' 10262 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10262 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 404 10262 '15N chemical shifts' 86 10262 '1H chemical shifts' 631 10262 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-11-24 2008-11-21 original author . 10262 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DKM 'BMRB Entry Tracking System' 10262 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10262 _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 . . . 10262 1 2 K. Saito . . . 10262 1 3 S. Koshiba . . . 10262 1 4 M. Inoue . . . 10262 1 5 T. Kigawa . . . 10262 1 6 S. Yokoyama . . . 10262 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10262 _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 . . . 10262 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 2DKM . . . . . . 10262 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10262 _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 ; GSSGSSGPLPPPRALTLAAV TPRTVHLTWQPSAGATHYLV RCSPASPKGEEEEREVQVGR PEVLLDGLEPGRDYEVSVQS LRGPEGSEARGIRARTPTSG PSSG ; _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 104 _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 2DKM . "Solution Structures Of The Fn3 Domain Of Human Collagen Alpha-1(Xx) Chain" . . . . . 100.00 104 100.00 100.00 5.64e-64 . . . . 10262 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 . 10262 1 2 . SER . 10262 1 3 . SER . 10262 1 4 . GLY . 10262 1 5 . SER . 10262 1 6 . SER . 10262 1 7 . GLY . 10262 1 8 . PRO . 10262 1 9 . LEU . 10262 1 10 . PRO . 10262 1 11 . PRO . 10262 1 12 . PRO . 10262 1 13 . ARG . 10262 1 14 . ALA . 10262 1 15 . LEU . 10262 1 16 . THR . 10262 1 17 . LEU . 10262 1 18 . ALA . 10262 1 19 . ALA . 10262 1 20 . VAL . 10262 1 21 . THR . 10262 1 22 . PRO . 10262 1 23 . ARG . 10262 1 24 . THR . 10262 1 25 . VAL . 10262 1 26 . HIS . 10262 1 27 . LEU . 10262 1 28 . THR . 10262 1 29 . TRP . 10262 1 30 . GLN . 10262 1 31 . PRO . 10262 1 32 . SER . 10262 1 33 . ALA . 10262 1 34 . GLY . 10262 1 35 . ALA . 10262 1 36 . THR . 10262 1 37 . HIS . 10262 1 38 . TYR . 10262 1 39 . LEU . 10262 1 40 . VAL . 10262 1 41 . ARG . 10262 1 42 . CYS . 10262 1 43 . SER . 10262 1 44 . PRO . 10262 1 45 . ALA . 10262 1 46 . SER . 10262 1 47 . PRO . 10262 1 48 . LYS . 10262 1 49 . GLY . 10262 1 50 . GLU . 10262 1 51 . GLU . 10262 1 52 . GLU . 10262 1 53 . GLU . 10262 1 54 . ARG . 10262 1 55 . GLU . 10262 1 56 . VAL . 10262 1 57 . GLN . 10262 1 58 . VAL . 10262 1 59 . GLY . 10262 1 60 . ARG . 10262 1 61 . PRO . 10262 1 62 . GLU . 10262 1 63 . VAL . 10262 1 64 . LEU . 10262 1 65 . LEU . 10262 1 66 . ASP . 10262 1 67 . GLY . 10262 1 68 . LEU . 10262 1 69 . GLU . 10262 1 70 . PRO . 10262 1 71 . GLY . 10262 1 72 . ARG . 10262 1 73 . ASP . 10262 1 74 . TYR . 10262 1 75 . GLU . 10262 1 76 . VAL . 10262 1 77 . SER . 10262 1 78 . VAL . 10262 1 79 . GLN . 10262 1 80 . SER . 10262 1 81 . LEU . 10262 1 82 . ARG . 10262 1 83 . GLY . 10262 1 84 . PRO . 10262 1 85 . GLU . 10262 1 86 . GLY . 10262 1 87 . SER . 10262 1 88 . GLU . 10262 1 89 . ALA . 10262 1 90 . ARG . 10262 1 91 . GLY . 10262 1 92 . ILE . 10262 1 93 . ARG . 10262 1 94 . ALA . 10262 1 95 . ARG . 10262 1 96 . THR . 10262 1 97 . PRO . 10262 1 98 . THR . 10262 1 99 . SER . 10262 1 100 . GLY . 10262 1 101 . PRO . 10262 1 102 . SER . 10262 1 103 . SER . 10262 1 104 . GLY . 10262 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 10262 1 . SER 2 2 10262 1 . SER 3 3 10262 1 . GLY 4 4 10262 1 . SER 5 5 10262 1 . SER 6 6 10262 1 . GLY 7 7 10262 1 . PRO 8 8 10262 1 . LEU 9 9 10262 1 . PRO 10 10 10262 1 . PRO 11 11 10262 1 . PRO 12 12 10262 1 . ARG 13 13 10262 1 . ALA 14 14 10262 1 . LEU 15 15 10262 1 . THR 16 16 10262 1 . LEU 17 17 10262 1 . ALA 18 18 10262 1 . ALA 19 19 10262 1 . VAL 20 20 10262 1 . THR 21 21 10262 1 . PRO 22 22 10262 1 . ARG 23 23 10262 1 . THR 24 24 10262 1 . VAL 25 25 10262 1 . HIS 26 26 10262 1 . LEU 27 27 10262 1 . THR 28 28 10262 1 . TRP 29 29 10262 1 . GLN 30 30 10262 1 . PRO 31 31 10262 1 . SER 32 32 10262 1 . ALA 33 33 10262 1 . GLY 34 34 10262 1 . ALA 35 35 10262 1 . THR 36 36 10262 1 . HIS 37 37 10262 1 . TYR 38 38 10262 1 . LEU 39 39 10262 1 . VAL 40 40 10262 1 . ARG 41 41 10262 1 . CYS 42 42 10262 1 . SER 43 43 10262 1 . PRO 44 44 10262 1 . ALA 45 45 10262 1 . SER 46 46 10262 1 . PRO 47 47 10262 1 . LYS 48 48 10262 1 . GLY 49 49 10262 1 . GLU 50 50 10262 1 . GLU 51 51 10262 1 . GLU 52 52 10262 1 . GLU 53 53 10262 1 . ARG 54 54 10262 1 . GLU 55 55 10262 1 . VAL 56 56 10262 1 . GLN 57 57 10262 1 . VAL 58 58 10262 1 . GLY 59 59 10262 1 . ARG 60 60 10262 1 . PRO 61 61 10262 1 . GLU 62 62 10262 1 . VAL 63 63 10262 1 . LEU 64 64 10262 1 . LEU 65 65 10262 1 . ASP 66 66 10262 1 . GLY 67 67 10262 1 . LEU 68 68 10262 1 . GLU 69 69 10262 1 . PRO 70 70 10262 1 . GLY 71 71 10262 1 . ARG 72 72 10262 1 . ASP 73 73 10262 1 . TYR 74 74 10262 1 . GLU 75 75 10262 1 . VAL 76 76 10262 1 . SER 77 77 10262 1 . VAL 78 78 10262 1 . GLN 79 79 10262 1 . SER 80 80 10262 1 . LEU 81 81 10262 1 . ARG 82 82 10262 1 . GLY 83 83 10262 1 . PRO 84 84 10262 1 . GLU 85 85 10262 1 . GLY 86 86 10262 1 . SER 87 87 10262 1 . GLU 88 88 10262 1 . ALA 89 89 10262 1 . ARG 90 90 10262 1 . GLY 91 91 10262 1 . ILE 92 92 10262 1 . ARG 93 93 10262 1 . ALA 94 94 10262 1 . ARG 95 95 10262 1 . THR 96 96 10262 1 . PRO 97 97 10262 1 . THR 98 98 10262 1 . SER 99 99 10262 1 . GLY 100 100 10262 1 . PRO 101 101 10262 1 . SER 102 102 10262 1 . SER 103 103 10262 1 . GLY 104 104 10262 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 10262 _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 . . . . . . . . . . . . . . . . . . . . . 10262 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 10262 _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 . . P050711-10 . . . . . . 10262 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10262 _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 . . . . 10262 1 2 'd-Tris HCl' . . . . . . buffer 20 . . mM . . . . 10262 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10262 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10262 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10262 1 6 H2O . . . . . . solvent 90 . . % . . . . 10262 1 7 D2O . . . . . . solvent 10 . . % . . . . 10262 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 10262 _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 10262 1 pH 7.0 0.05 pH 10262 1 pressure 1 0.001 atm 10262 1 temperature 298 0.1 K 10262 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10262 _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 . . 10262 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10262 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10262 _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.' . . 10262 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10262 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10262 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10262 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10262 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10262 _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.' . . 10262 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10262 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10262 _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.' . . 10262 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10262 5 'structure solution' 10262 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 10262 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10262 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 10262 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 10262 _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 . . . . . . . . . . . . . . . . 10262 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10262 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 10262 _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 . . . . . . . . . 10262 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10262 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10262 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 10262 _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 10262 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10262 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 4.528 0.030 . 1 . . . . 6 SER HA . 10262 1 2 . 1 1 6 6 SER HB2 H 1 3.889 0.030 . 2 . . . . 6 SER HB2 . 10262 1 3 . 1 1 6 6 SER CA C 13 58.373 0.300 . 1 . . . . 6 SER CA . 10262 1 4 . 1 1 6 6 SER CB C 13 63.978 0.300 . 1 . . . . 6 SER CB . 10262 1 5 . 1 1 7 7 GLY H H 1 8.228 0.030 . 1 . . . . 7 GLY H . 10262 1 6 . 1 1 7 7 GLY HA2 H 1 4.134 0.030 . 1 . . . . 7 GLY HA2 . 10262 1 7 . 1 1 7 7 GLY HA3 H 1 4.134 0.030 . 1 . . . . 7 GLY HA3 . 10262 1 8 . 1 1 7 7 GLY CA C 13 44.607 0.300 . 1 . . . . 7 GLY CA . 10262 1 9 . 1 1 7 7 GLY N N 15 110.638 0.300 . 1 . . . . 7 GLY N . 10262 1 10 . 1 1 8 8 PRO HA H 1 4.419 0.030 . 1 . . . . 8 PRO HA . 10262 1 11 . 1 1 8 8 PRO HB2 H 1 2.286 0.030 . 2 . . . . 8 PRO HB2 . 10262 1 12 . 1 1 8 8 PRO HB3 H 1 1.837 0.030 . 2 . . . . 8 PRO HB3 . 10262 1 13 . 1 1 8 8 PRO HD2 H 1 3.616 0.030 . 1 . . . . 8 PRO HD2 . 10262 1 14 . 1 1 8 8 PRO HD3 H 1 3.616 0.030 . 1 . . . . 8 PRO HD3 . 10262 1 15 . 1 1 8 8 PRO HG2 H 1 1.999 0.030 . 1 . . . . 8 PRO HG2 . 10262 1 16 . 1 1 8 8 PRO HG3 H 1 1.999 0.030 . 1 . . . . 8 PRO HG3 . 10262 1 17 . 1 1 8 8 PRO C C 13 176.908 0.300 . 1 . . . . 8 PRO C . 10262 1 18 . 1 1 8 8 PRO CA C 13 62.851 0.300 . 1 . . . . 8 PRO CA . 10262 1 19 . 1 1 8 8 PRO CB C 13 32.243 0.300 . 1 . . . . 8 PRO CB . 10262 1 20 . 1 1 8 8 PRO CD C 13 49.800 0.300 . 1 . . . . 8 PRO CD . 10262 1 21 . 1 1 8 8 PRO CG C 13 26.662 0.300 . 1 . . . . 8 PRO CG . 10262 1 22 . 1 1 9 9 LEU H H 1 8.462 0.030 . 1 . . . . 9 LEU H . 10262 1 23 . 1 1 9 9 LEU HA H 1 4.494 0.030 . 1 . . . . 9 LEU HA . 10262 1 24 . 1 1 9 9 LEU HB2 H 1 1.389 0.030 . 2 . . . . 9 LEU HB2 . 10262 1 25 . 1 1 9 9 LEU HB3 H 1 1.195 0.030 . 2 . . . . 9 LEU HB3 . 10262 1 26 . 1 1 9 9 LEU HD11 H 1 0.569 0.030 . 1 . . . . 9 LEU HD1 . 10262 1 27 . 1 1 9 9 LEU HD12 H 1 0.569 0.030 . 1 . . . . 9 LEU HD1 . 10262 1 28 . 1 1 9 9 LEU HD13 H 1 0.569 0.030 . 1 . . . . 9 LEU HD1 . 10262 1 29 . 1 1 9 9 LEU HD21 H 1 0.678 0.030 . 1 . . . . 9 LEU HD2 . 10262 1 30 . 1 1 9 9 LEU HD22 H 1 0.678 0.030 . 1 . . . . 9 LEU HD2 . 10262 1 31 . 1 1 9 9 LEU HD23 H 1 0.678 0.030 . 1 . . . . 9 LEU HD2 . 10262 1 32 . 1 1 9 9 LEU HG H 1 1.388 0.030 . 1 . . . . 9 LEU HG . 10262 1 33 . 1 1 9 9 LEU C C 13 174.124 0.300 . 1 . . . . 9 LEU C . 10262 1 34 . 1 1 9 9 LEU CA C 13 52.587 0.300 . 1 . . . . 9 LEU CA . 10262 1 35 . 1 1 9 9 LEU CB C 13 43.150 0.300 . 1 . . . . 9 LEU CB . 10262 1 36 . 1 1 9 9 LEU CD1 C 13 26.133 0.300 . 2 . . . . 9 LEU CD1 . 10262 1 37 . 1 1 9 9 LEU CD2 C 13 24.657 0.300 . 2 . . . . 9 LEU CD2 . 10262 1 38 . 1 1 9 9 LEU CG C 13 26.133 0.300 . 1 . . . . 9 LEU CG . 10262 1 39 . 1 1 9 9 LEU N N 15 126.015 0.300 . 1 . . . . 9 LEU N . 10262 1 40 . 1 1 10 10 PRO HA H 1 4.820 0.030 . 1 . . . . 10 PRO HA . 10262 1 41 . 1 1 10 10 PRO HB2 H 1 2.481 0.030 . 2 . . . . 10 PRO HB2 . 10262 1 42 . 1 1 10 10 PRO HB3 H 1 1.948 0.030 . 2 . . . . 10 PRO HB3 . 10262 1 43 . 1 1 10 10 PRO HD2 H 1 4.114 0.030 . 2 . . . . 10 PRO HD2 . 10262 1 44 . 1 1 10 10 PRO HD3 H 1 3.750 0.030 . 2 . . . . 10 PRO HD3 . 10262 1 45 . 1 1 10 10 PRO HG2 H 1 2.230 0.030 . 2 . . . . 10 PRO HG2 . 10262 1 46 . 1 1 10 10 PRO HG3 H 1 2.139 0.030 . 2 . . . . 10 PRO HG3 . 10262 1 47 . 1 1 10 10 PRO CA C 13 61.368 0.300 . 1 . . . . 10 PRO CA . 10262 1 48 . 1 1 10 10 PRO CB C 13 31.391 0.300 . 1 . . . . 10 PRO CB . 10262 1 49 . 1 1 10 10 PRO CD C 13 51.381 0.300 . 1 . . . . 10 PRO CD . 10262 1 50 . 1 1 10 10 PRO CG C 13 28.162 0.300 . 1 . . . . 10 PRO CG . 10262 1 51 . 1 1 11 11 PRO HA H 1 4.949 0.030 . 1 . . . . 11 PRO HA . 10262 1 52 . 1 1 11 11 PRO HB2 H 1 2.382 0.030 . 2 . . . . 11 PRO HB2 . 10262 1 53 . 1 1 11 11 PRO HB3 H 1 1.788 0.030 . 2 . . . . 11 PRO HB3 . 10262 1 54 . 1 1 11 11 PRO HD2 H 1 4.023 0.030 . 2 . . . . 11 PRO HD2 . 10262 1 55 . 1 1 11 11 PRO HD3 H 1 3.706 0.030 . 2 . . . . 11 PRO HD3 . 10262 1 56 . 1 1 11 11 PRO HG2 H 1 2.099 0.030 . 2 . . . . 11 PRO HG2 . 10262 1 57 . 1 1 11 11 PRO HG3 H 1 1.945 0.030 . 2 . . . . 11 PRO HG3 . 10262 1 58 . 1 1 11 11 PRO CA C 13 61.183 0.300 . 1 . . . . 11 PRO CA . 10262 1 59 . 1 1 11 11 PRO CB C 13 30.656 0.300 . 1 . . . . 11 PRO CB . 10262 1 60 . 1 1 11 11 PRO CD C 13 50.653 0.300 . 1 . . . . 11 PRO CD . 10262 1 61 . 1 1 11 11 PRO CG C 13 27.056 0.300 . 1 . . . . 11 PRO CG . 10262 1 62 . 1 1 12 12 PRO HA H 1 4.341 0.030 . 1 . . . . 12 PRO HA . 10262 1 63 . 1 1 12 12 PRO HB2 H 1 1.592 0.030 . 2 . . . . 12 PRO HB2 . 10262 1 64 . 1 1 12 12 PRO HB3 H 1 1.311 0.030 . 2 . . . . 12 PRO HB3 . 10262 1 65 . 1 1 12 12 PRO HD2 H 1 3.962 0.030 . 2 . . . . 12 PRO HD2 . 10262 1 66 . 1 1 12 12 PRO HD3 H 1 3.337 0.030 . 2 . . . . 12 PRO HD3 . 10262 1 67 . 1 1 12 12 PRO HG2 H 1 1.500 0.030 . 1 . . . . 12 PRO HG2 . 10262 1 68 . 1 1 12 12 PRO HG3 H 1 1.500 0.030 . 1 . . . . 12 PRO HG3 . 10262 1 69 . 1 1 12 12 PRO C C 13 174.849 0.300 . 1 . . . . 12 PRO C . 10262 1 70 . 1 1 12 12 PRO CA C 13 63.062 0.300 . 1 . . . . 12 PRO CA . 10262 1 71 . 1 1 12 12 PRO CB C 13 31.831 0.300 . 1 . . . . 12 PRO CB . 10262 1 72 . 1 1 12 12 PRO CD C 13 49.899 0.300 . 1 . . . . 12 PRO CD . 10262 1 73 . 1 1 12 12 PRO CG C 13 27.462 0.300 . 1 . . . . 12 PRO CG . 10262 1 74 . 1 1 13 13 ARG H H 1 7.828 0.030 . 1 . . . . 13 ARG H . 10262 1 75 . 1 1 13 13 ARG HA H 1 4.536 0.030 . 1 . . . . 13 ARG HA . 10262 1 76 . 1 1 13 13 ARG HB2 H 1 1.806 0.030 . 2 . . . . 13 ARG HB2 . 10262 1 77 . 1 1 13 13 ARG HB3 H 1 1.744 0.030 . 2 . . . . 13 ARG HB3 . 10262 1 78 . 1 1 13 13 ARG HD2 H 1 3.242 0.030 . 1 . . . . 13 ARG HD2 . 10262 1 79 . 1 1 13 13 ARG HD3 H 1 3.242 0.030 . 1 . . . . 13 ARG HD3 . 10262 1 80 . 1 1 13 13 ARG HG2 H 1 1.682 0.030 . 1 . . . . 13 ARG HG2 . 10262 1 81 . 1 1 13 13 ARG HG3 H 1 1.682 0.030 . 1 . . . . 13 ARG HG3 . 10262 1 82 . 1 1 13 13 ARG C C 13 174.608 0.300 . 1 . . . . 13 ARG C . 10262 1 83 . 1 1 13 13 ARG CA C 13 54.774 0.300 . 1 . . . . 13 ARG CA . 10262 1 84 . 1 1 13 13 ARG CB C 13 33.250 0.300 . 1 . . . . 13 ARG CB . 10262 1 85 . 1 1 13 13 ARG CD C 13 43.487 0.300 . 1 . . . . 13 ARG CD . 10262 1 86 . 1 1 13 13 ARG CG C 13 27.545 0.300 . 1 . . . . 13 ARG CG . 10262 1 87 . 1 1 13 13 ARG N N 15 120.532 0.300 . 1 . . . . 13 ARG N . 10262 1 88 . 1 1 14 14 ALA H H 1 8.694 0.030 . 1 . . . . 14 ALA H . 10262 1 89 . 1 1 14 14 ALA HA H 1 3.986 0.030 . 1 . . . . 14 ALA HA . 10262 1 90 . 1 1 14 14 ALA HB1 H 1 1.328 0.030 . 1 . . . . 14 ALA HB . 10262 1 91 . 1 1 14 14 ALA HB2 H 1 1.328 0.030 . 1 . . . . 14 ALA HB . 10262 1 92 . 1 1 14 14 ALA HB3 H 1 1.328 0.030 . 1 . . . . 14 ALA HB . 10262 1 93 . 1 1 14 14 ALA C C 13 177.232 0.300 . 1 . . . . 14 ALA C . 10262 1 94 . 1 1 14 14 ALA CA C 13 52.461 0.300 . 1 . . . . 14 ALA CA . 10262 1 95 . 1 1 14 14 ALA CB C 13 16.806 0.300 . 1 . . . . 14 ALA CB . 10262 1 96 . 1 1 14 14 ALA N N 15 121.921 0.300 . 1 . . . . 14 ALA N . 10262 1 97 . 1 1 15 15 LEU H H 1 8.097 0.030 . 1 . . . . 15 LEU H . 10262 1 98 . 1 1 15 15 LEU HA H 1 4.670 0.030 . 1 . . . . 15 LEU HA . 10262 1 99 . 1 1 15 15 LEU HB2 H 1 1.530 0.030 . 2 . . . . 15 LEU HB2 . 10262 1 100 . 1 1 15 15 LEU HB3 H 1 1.379 0.030 . 2 . . . . 15 LEU HB3 . 10262 1 101 . 1 1 15 15 LEU HD11 H 1 0.658 0.030 . 1 . . . . 15 LEU HD1 . 10262 1 102 . 1 1 15 15 LEU HD12 H 1 0.658 0.030 . 1 . . . . 15 LEU HD1 . 10262 1 103 . 1 1 15 15 LEU HD13 H 1 0.658 0.030 . 1 . . . . 15 LEU HD1 . 10262 1 104 . 1 1 15 15 LEU HD21 H 1 0.520 0.030 . 1 . . . . 15 LEU HD2 . 10262 1 105 . 1 1 15 15 LEU HD22 H 1 0.520 0.030 . 1 . . . . 15 LEU HD2 . 10262 1 106 . 1 1 15 15 LEU HD23 H 1 0.520 0.030 . 1 . . . . 15 LEU HD2 . 10262 1 107 . 1 1 15 15 LEU HG H 1 1.418 0.030 . 1 . . . . 15 LEU HG . 10262 1 108 . 1 1 15 15 LEU C C 13 177.364 0.300 . 1 . . . . 15 LEU C . 10262 1 109 . 1 1 15 15 LEU CA C 13 57.543 0.300 . 1 . . . . 15 LEU CA . 10262 1 110 . 1 1 15 15 LEU CB C 13 41.877 0.300 . 1 . . . . 15 LEU CB . 10262 1 111 . 1 1 15 15 LEU CD1 C 13 24.459 0.300 . 2 . . . . 15 LEU CD1 . 10262 1 112 . 1 1 15 15 LEU CD2 C 13 25.687 0.300 . 2 . . . . 15 LEU CD2 . 10262 1 113 . 1 1 15 15 LEU CG C 13 29.160 0.300 . 1 . . . . 15 LEU CG . 10262 1 114 . 1 1 15 15 LEU N N 15 122.215 0.300 . 1 . . . . 15 LEU N . 10262 1 115 . 1 1 16 16 THR H H 1 9.520 0.030 . 1 . . . . 16 THR H . 10262 1 116 . 1 1 16 16 THR HA H 1 4.369 0.030 . 1 . . . . 16 THR HA . 10262 1 117 . 1 1 16 16 THR HB H 1 4.005 0.030 . 1 . . . . 16 THR HB . 10262 1 118 . 1 1 16 16 THR HG21 H 1 0.960 0.030 . 1 . . . . 16 THR HG2 . 10262 1 119 . 1 1 16 16 THR HG22 H 1 0.960 0.030 . 1 . . . . 16 THR HG2 . 10262 1 120 . 1 1 16 16 THR HG23 H 1 0.960 0.030 . 1 . . . . 16 THR HG2 . 10262 1 121 . 1 1 16 16 THR C C 13 172.453 0.300 . 1 . . . . 16 THR C . 10262 1 122 . 1 1 16 16 THR CA C 13 62.480 0.300 . 1 . . . . 16 THR CA . 10262 1 123 . 1 1 16 16 THR CB C 13 72.198 0.300 . 1 . . . . 16 THR CB . 10262 1 124 . 1 1 16 16 THR CG2 C 13 19.796 0.300 . 1 . . . . 16 THR CG2 . 10262 1 125 . 1 1 16 16 THR N N 15 122.214 0.300 . 1 . . . . 16 THR N . 10262 1 126 . 1 1 17 17 LEU H H 1 8.847 0.030 . 1 . . . . 17 LEU H . 10262 1 127 . 1 1 17 17 LEU HA H 1 4.573 0.030 . 1 . . . . 17 LEU HA . 10262 1 128 . 1 1 17 17 LEU HB2 H 1 1.663 0.030 . 2 . . . . 17 LEU HB2 . 10262 1 129 . 1 1 17 17 LEU HB3 H 1 1.491 0.030 . 2 . . . . 17 LEU HB3 . 10262 1 130 . 1 1 17 17 LEU HD11 H 1 1.020 0.030 . 1 . . . . 17 LEU HD1 . 10262 1 131 . 1 1 17 17 LEU HD12 H 1 1.020 0.030 . 1 . . . . 17 LEU HD1 . 10262 1 132 . 1 1 17 17 LEU HD13 H 1 1.020 0.030 . 1 . . . . 17 LEU HD1 . 10262 1 133 . 1 1 17 17 LEU HD21 H 1 0.855 0.030 . 1 . . . . 17 LEU HD2 . 10262 1 134 . 1 1 17 17 LEU HD22 H 1 0.855 0.030 . 1 . . . . 17 LEU HD2 . 10262 1 135 . 1 1 17 17 LEU HD23 H 1 0.855 0.030 . 1 . . . . 17 LEU HD2 . 10262 1 136 . 1 1 17 17 LEU HG H 1 1.582 0.030 . 1 . . . . 17 LEU HG . 10262 1 137 . 1 1 17 17 LEU C C 13 174.695 0.300 . 1 . . . . 17 LEU C . 10262 1 138 . 1 1 17 17 LEU CA C 13 53.840 0.300 . 1 . . . . 17 LEU CA . 10262 1 139 . 1 1 17 17 LEU CB C 13 40.290 0.300 . 1 . . . . 17 LEU CB . 10262 1 140 . 1 1 17 17 LEU CD1 C 13 25.566 0.300 . 2 . . . . 17 LEU CD1 . 10262 1 141 . 1 1 17 17 LEU CD2 C 13 25.112 0.300 . 2 . . . . 17 LEU CD2 . 10262 1 142 . 1 1 17 17 LEU CG C 13 26.539 0.300 . 1 . . . . 17 LEU CG . 10262 1 143 . 1 1 17 17 LEU N N 15 127.415 0.300 . 1 . . . . 17 LEU N . 10262 1 144 . 1 1 18 18 ALA H H 1 8.647 0.030 . 1 . . . . 18 ALA H . 10262 1 145 . 1 1 18 18 ALA HA H 1 4.106 0.030 . 1 . . . . 18 ALA HA . 10262 1 146 . 1 1 18 18 ALA HB1 H 1 0.987 0.030 . 1 . . . . 18 ALA HB . 10262 1 147 . 1 1 18 18 ALA HB2 H 1 0.987 0.030 . 1 . . . . 18 ALA HB . 10262 1 148 . 1 1 18 18 ALA HB3 H 1 0.987 0.030 . 1 . . . . 18 ALA HB . 10262 1 149 . 1 1 18 18 ALA C C 13 178.236 0.300 . 1 . . . . 18 ALA C . 10262 1 150 . 1 1 18 18 ALA CA C 13 53.926 0.300 . 1 . . . . 18 ALA CA . 10262 1 151 . 1 1 18 18 ALA CB C 13 18.876 0.300 . 1 . . . . 18 ALA CB . 10262 1 152 . 1 1 18 18 ALA N N 15 133.362 0.300 . 1 . . . . 18 ALA N . 10262 1 153 . 1 1 19 19 ALA H H 1 7.772 0.030 . 1 . . . . 19 ALA H . 10262 1 154 . 1 1 19 19 ALA HA H 1 4.561 0.030 . 1 . . . . 19 ALA HA . 10262 1 155 . 1 1 19 19 ALA HB1 H 1 1.473 0.030 . 1 . . . . 19 ALA HB . 10262 1 156 . 1 1 19 19 ALA HB2 H 1 1.473 0.030 . 1 . . . . 19 ALA HB . 10262 1 157 . 1 1 19 19 ALA HB3 H 1 1.473 0.030 . 1 . . . . 19 ALA HB . 10262 1 158 . 1 1 19 19 ALA C C 13 176.032 0.300 . 1 . . . . 19 ALA C . 10262 1 159 . 1 1 19 19 ALA CA C 13 53.011 0.300 . 1 . . . . 19 ALA CA . 10262 1 160 . 1 1 19 19 ALA CB C 13 21.869 0.300 . 1 . . . . 19 ALA CB . 10262 1 161 . 1 1 19 19 ALA N N 15 115.654 0.300 . 1 . . . . 19 ALA N . 10262 1 162 . 1 1 20 20 VAL H H 1 8.697 0.030 . 1 . . . . 20 VAL H . 10262 1 163 . 1 1 20 20 VAL HA H 1 4.951 0.030 . 1 . . . . 20 VAL HA . 10262 1 164 . 1 1 20 20 VAL HB H 1 2.122 0.030 . 1 . . . . 20 VAL HB . 10262 1 165 . 1 1 20 20 VAL HG11 H 1 1.133 0.030 . 1 . . . . 20 VAL HG1 . 10262 1 166 . 1 1 20 20 VAL HG12 H 1 1.133 0.030 . 1 . . . . 20 VAL HG1 . 10262 1 167 . 1 1 20 20 VAL HG13 H 1 1.133 0.030 . 1 . . . . 20 VAL HG1 . 10262 1 168 . 1 1 20 20 VAL HG21 H 1 1.095 0.030 . 1 . . . . 20 VAL HG2 . 10262 1 169 . 1 1 20 20 VAL HG22 H 1 1.095 0.030 . 1 . . . . 20 VAL HG2 . 10262 1 170 . 1 1 20 20 VAL HG23 H 1 1.095 0.030 . 1 . . . . 20 VAL HG2 . 10262 1 171 . 1 1 20 20 VAL C C 13 174.314 0.300 . 1 . . . . 20 VAL C . 10262 1 172 . 1 1 20 20 VAL CA C 13 61.352 0.300 . 1 . . . . 20 VAL CA . 10262 1 173 . 1 1 20 20 VAL CB C 13 35.394 0.300 . 1 . . . . 20 VAL CB . 10262 1 174 . 1 1 20 20 VAL CG1 C 13 21.924 0.300 . 2 . . . . 20 VAL CG1 . 10262 1 175 . 1 1 20 20 VAL CG2 C 13 21.354 0.300 . 2 . . . . 20 VAL CG2 . 10262 1 176 . 1 1 20 20 VAL N N 15 120.848 0.300 . 1 . . . . 20 VAL N . 10262 1 177 . 1 1 21 21 THR H H 1 9.198 0.030 . 1 . . . . 21 THR H . 10262 1 178 . 1 1 21 21 THR HA H 1 4.941 0.030 . 1 . . . . 21 THR HA . 10262 1 179 . 1 1 21 21 THR HB H 1 4.730 0.030 . 1 . . . . 21 THR HB . 10262 1 180 . 1 1 21 21 THR HG21 H 1 1.145 0.030 . 1 . . . . 21 THR HG2 . 10262 1 181 . 1 1 21 21 THR HG22 H 1 1.145 0.030 . 1 . . . . 21 THR HG2 . 10262 1 182 . 1 1 21 21 THR HG23 H 1 1.145 0.030 . 1 . . . . 21 THR HG2 . 10262 1 183 . 1 1 21 21 THR C C 13 174.416 0.300 . 1 . . . . 21 THR C . 10262 1 184 . 1 1 21 21 THR CA C 13 60.347 0.300 . 1 . . . . 21 THR CA . 10262 1 185 . 1 1 21 21 THR CB C 13 68.713 0.300 . 1 . . . . 21 THR CB . 10262 1 186 . 1 1 21 21 THR CG2 C 13 20.455 0.300 . 1 . . . . 21 THR CG2 . 10262 1 187 . 1 1 21 21 THR N N 15 120.326 0.300 . 1 . . . . 21 THR N . 10262 1 188 . 1 1 22 22 PRO HA H 1 4.634 0.030 . 1 . . . . 22 PRO HA . 10262 1 189 . 1 1 22 22 PRO HB2 H 1 2.325 0.030 . 2 . . . . 22 PRO HB2 . 10262 1 190 . 1 1 22 22 PRO HB3 H 1 1.800 0.030 . 2 . . . . 22 PRO HB3 . 10262 1 191 . 1 1 22 22 PRO HD2 H 1 3.861 0.030 . 2 . . . . 22 PRO HD2 . 10262 1 192 . 1 1 22 22 PRO HD3 H 1 3.726 0.030 . 2 . . . . 22 PRO HD3 . 10262 1 193 . 1 1 22 22 PRO HG2 H 1 2.056 0.030 . 2 . . . . 22 PRO HG2 . 10262 1 194 . 1 1 22 22 PRO C C 13 173.606 0.300 . 1 . . . . 22 PRO C . 10262 1 195 . 1 1 22 22 PRO CA C 13 66.519 0.300 . 1 . . . . 22 PRO CA . 10262 1 196 . 1 1 22 22 PRO CB C 13 32.078 0.300 . 1 . . . . 22 PRO CB . 10262 1 197 . 1 1 22 22 PRO CD C 13 50.477 0.300 . 1 . . . . 22 PRO CD . 10262 1 198 . 1 1 22 22 PRO CG C 13 28.204 0.300 . 1 . . . . 22 PRO CG . 10262 1 199 . 1 1 23 23 ARG H H 1 6.621 0.030 . 1 . . . . 23 ARG H . 10262 1 200 . 1 1 23 23 ARG HA H 1 4.591 0.030 . 1 . . . . 23 ARG HA . 10262 1 201 . 1 1 23 23 ARG HB2 H 1 2.154 0.030 . 2 . . . . 23 ARG HB2 . 10262 1 202 . 1 1 23 23 ARG HB3 H 1 1.483 0.030 . 2 . . . . 23 ARG HB3 . 10262 1 203 . 1 1 23 23 ARG HD2 H 1 3.252 0.030 . 2 . . . . 23 ARG HD2 . 10262 1 204 . 1 1 23 23 ARG HD3 H 1 3.134 0.030 . 2 . . . . 23 ARG HD3 . 10262 1 205 . 1 1 23 23 ARG HG2 H 1 1.602 0.030 . 2 . . . . 23 ARG HG2 . 10262 1 206 . 1 1 23 23 ARG HG3 H 1 1.504 0.030 . 2 . . . . 23 ARG HG3 . 10262 1 207 . 1 1 23 23 ARG C C 13 176.554 0.300 . 1 . . . . 23 ARG C . 10262 1 208 . 1 1 23 23 ARG CA C 13 53.892 0.300 . 1 . . . . 23 ARG CA . 10262 1 209 . 1 1 23 23 ARG CB C 13 33.498 0.300 . 1 . . . . 23 ARG CB . 10262 1 210 . 1 1 23 23 ARG CD C 13 43.371 0.300 . 1 . . . . 23 ARG CD . 10262 1 211 . 1 1 23 23 ARG CG C 13 28.019 0.300 . 1 . . . . 23 ARG CG . 10262 1 212 . 1 1 23 23 ARG N N 15 102.938 0.300 . 1 . . . . 23 ARG N . 10262 1 213 . 1 1 24 24 THR H H 1 7.352 0.030 . 1 . . . . 24 THR H . 10262 1 214 . 1 1 24 24 THR HA H 1 5.593 0.030 . 1 . . . . 24 THR HA . 10262 1 215 . 1 1 24 24 THR HB H 1 3.986 0.030 . 1 . . . . 24 THR HB . 10262 1 216 . 1 1 24 24 THR HG21 H 1 1.021 0.030 . 1 . . . . 24 THR HG2 . 10262 1 217 . 1 1 24 24 THR HG22 H 1 1.021 0.030 . 1 . . . . 24 THR HG2 . 10262 1 218 . 1 1 24 24 THR HG23 H 1 1.021 0.030 . 1 . . . . 24 THR HG2 . 10262 1 219 . 1 1 24 24 THR C C 13 172.345 0.300 . 1 . . . . 24 THR C . 10262 1 220 . 1 1 24 24 THR CA C 13 59.311 0.300 . 1 . . . . 24 THR CA . 10262 1 221 . 1 1 24 24 THR CB C 13 73.311 0.300 . 1 . . . . 24 THR CB . 10262 1 222 . 1 1 24 24 THR CG2 C 13 21.419 0.300 . 1 . . . . 24 THR CG2 . 10262 1 223 . 1 1 24 24 THR N N 15 108.792 0.300 . 1 . . . . 24 THR N . 10262 1 224 . 1 1 25 25 VAL H H 1 8.437 0.030 . 1 . . . . 25 VAL H . 10262 1 225 . 1 1 25 25 VAL HA H 1 4.512 0.030 . 1 . . . . 25 VAL HA . 10262 1 226 . 1 1 25 25 VAL HB H 1 1.760 0.030 . 1 . . . . 25 VAL HB . 10262 1 227 . 1 1 25 25 VAL HG11 H 1 0.794 0.030 . 1 . . . . 25 VAL HG1 . 10262 1 228 . 1 1 25 25 VAL HG12 H 1 0.794 0.030 . 1 . . . . 25 VAL HG1 . 10262 1 229 . 1 1 25 25 VAL HG13 H 1 0.794 0.030 . 1 . . . . 25 VAL HG1 . 10262 1 230 . 1 1 25 25 VAL HG21 H 1 0.752 0.030 . 1 . . . . 25 VAL HG2 . 10262 1 231 . 1 1 25 25 VAL HG22 H 1 0.752 0.030 . 1 . . . . 25 VAL HG2 . 10262 1 232 . 1 1 25 25 VAL HG23 H 1 0.752 0.030 . 1 . . . . 25 VAL HG2 . 10262 1 233 . 1 1 25 25 VAL C C 13 172.854 0.300 . 1 . . . . 25 VAL C . 10262 1 234 . 1 1 25 25 VAL CA C 13 61.617 0.300 . 1 . . . . 25 VAL CA . 10262 1 235 . 1 1 25 25 VAL CB C 13 36.742 0.300 . 1 . . . . 25 VAL CB . 10262 1 236 . 1 1 25 25 VAL CG1 C 13 21.690 0.300 . 2 . . . . 25 VAL CG1 . 10262 1 237 . 1 1 25 25 VAL CG2 C 13 22.068 0.300 . 2 . . . . 25 VAL CG2 . 10262 1 238 . 1 1 25 25 VAL N N 15 117.023 0.300 . 1 . . . . 25 VAL N . 10262 1 239 . 1 1 26 26 HIS H H 1 8.915 0.030 . 1 . . . . 26 HIS H . 10262 1 240 . 1 1 26 26 HIS HA H 1 5.765 0.030 . 1 . . . . 26 HIS HA . 10262 1 241 . 1 1 26 26 HIS HB2 H 1 3.405 0.030 . 2 . . . . 26 HIS HB2 . 10262 1 242 . 1 1 26 26 HIS HB3 H 1 2.852 0.030 . 2 . . . . 26 HIS HB3 . 10262 1 243 . 1 1 26 26 HIS HD2 H 1 6.925 0.030 . 1 . . . . 26 HIS HD2 . 10262 1 244 . 1 1 26 26 HIS HE1 H 1 7.583 0.030 . 1 . . . . 26 HIS HE1 . 10262 1 245 . 1 1 26 26 HIS C C 13 173.976 0.300 . 1 . . . . 26 HIS C . 10262 1 246 . 1 1 26 26 HIS CA C 13 52.896 0.300 . 1 . . . . 26 HIS CA . 10262 1 247 . 1 1 26 26 HIS CB C 13 34.004 0.300 . 1 . . . . 26 HIS CB . 10262 1 248 . 1 1 26 26 HIS CD2 C 13 115.798 0.300 . 1 . . . . 26 HIS CD2 . 10262 1 249 . 1 1 26 26 HIS CE1 C 13 138.594 0.300 . 1 . . . . 26 HIS CE1 . 10262 1 250 . 1 1 26 26 HIS N N 15 128.155 0.300 . 1 . . . . 26 HIS N . 10262 1 251 . 1 1 27 27 LEU H H 1 9.034 0.030 . 1 . . . . 27 LEU H . 10262 1 252 . 1 1 27 27 LEU HA H 1 5.505 0.030 . 1 . . . . 27 LEU HA . 10262 1 253 . 1 1 27 27 LEU HB2 H 1 1.885 0.030 . 2 . . . . 27 LEU HB2 . 10262 1 254 . 1 1 27 27 LEU HB3 H 1 1.565 0.030 . 2 . . . . 27 LEU HB3 . 10262 1 255 . 1 1 27 27 LEU HD11 H 1 0.851 0.030 . 1 . . . . 27 LEU HD1 . 10262 1 256 . 1 1 27 27 LEU HD12 H 1 0.851 0.030 . 1 . . . . 27 LEU HD1 . 10262 1 257 . 1 1 27 27 LEU HD13 H 1 0.851 0.030 . 1 . . . . 27 LEU HD1 . 10262 1 258 . 1 1 27 27 LEU HD21 H 1 0.754 0.030 . 1 . . . . 27 LEU HD2 . 10262 1 259 . 1 1 27 27 LEU HD22 H 1 0.754 0.030 . 1 . . . . 27 LEU HD2 . 10262 1 260 . 1 1 27 27 LEU HD23 H 1 0.754 0.030 . 1 . . . . 27 LEU HD2 . 10262 1 261 . 1 1 27 27 LEU HG H 1 1.767 0.030 . 1 . . . . 27 LEU HG . 10262 1 262 . 1 1 27 27 LEU C C 13 174.821 0.300 . 1 . . . . 27 LEU C . 10262 1 263 . 1 1 27 27 LEU CA C 13 53.376 0.300 . 1 . . . . 27 LEU CA . 10262 1 264 . 1 1 27 27 LEU CB C 13 46.306 0.300 . 1 . . . . 27 LEU CB . 10262 1 265 . 1 1 27 27 LEU CD1 C 13 26.194 0.300 . 2 . . . . 27 LEU CD1 . 10262 1 266 . 1 1 27 27 LEU CD2 C 13 26.803 0.300 . 2 . . . . 27 LEU CD2 . 10262 1 267 . 1 1 27 27 LEU CG C 13 27.605 0.300 . 1 . . . . 27 LEU CG . 10262 1 268 . 1 1 27 27 LEU N N 15 128.569 0.300 . 1 . . . . 27 LEU N . 10262 1 269 . 1 1 28 28 THR H H 1 8.844 0.030 . 1 . . . . 28 THR H . 10262 1 270 . 1 1 28 28 THR HA H 1 4.485 0.030 . 1 . . . . 28 THR HA . 10262 1 271 . 1 1 28 28 THR HB H 1 4.133 0.030 . 1 . . . . 28 THR HB . 10262 1 272 . 1 1 28 28 THR HG21 H 1 0.747 0.030 . 1 . . . . 28 THR HG2 . 10262 1 273 . 1 1 28 28 THR HG22 H 1 0.747 0.030 . 1 . . . . 28 THR HG2 . 10262 1 274 . 1 1 28 28 THR HG23 H 1 0.747 0.030 . 1 . . . . 28 THR HG2 . 10262 1 275 . 1 1 28 28 THR C C 13 172.773 0.300 . 1 . . . . 28 THR C . 10262 1 276 . 1 1 28 28 THR CA C 13 60.052 0.300 . 1 . . . . 28 THR CA . 10262 1 277 . 1 1 28 28 THR CB C 13 71.704 0.300 . 1 . . . . 28 THR CB . 10262 1 278 . 1 1 28 28 THR CG2 C 13 20.910 0.300 . 1 . . . . 28 THR CG2 . 10262 1 279 . 1 1 28 28 THR N N 15 112.165 0.300 . 1 . . . . 28 THR N . 10262 1 280 . 1 1 29 29 TRP H H 1 7.395 0.030 . 1 . . . . 29 TRP H . 10262 1 281 . 1 1 29 29 TRP HA H 1 4.915 0.030 . 1 . . . . 29 TRP HA . 10262 1 282 . 1 1 29 29 TRP HB2 H 1 3.370 0.030 . 2 . . . . 29 TRP HB2 . 10262 1 283 . 1 1 29 29 TRP HB3 H 1 3.095 0.030 . 2 . . . . 29 TRP HB3 . 10262 1 284 . 1 1 29 29 TRP HD1 H 1 6.812 0.030 . 1 . . . . 29 TRP HD1 . 10262 1 285 . 1 1 29 29 TRP HE1 H 1 5.724 0.030 . 1 . . . . 29 TRP HE1 . 10262 1 286 . 1 1 29 29 TRP HE3 H 1 6.846 0.030 . 1 . . . . 29 TRP HE3 . 10262 1 287 . 1 1 29 29 TRP HH2 H 1 6.487 0.030 . 1 . . . . 29 TRP HH2 . 10262 1 288 . 1 1 29 29 TRP HZ2 H 1 6.585 0.030 . 1 . . . . 29 TRP HZ2 . 10262 1 289 . 1 1 29 29 TRP HZ3 H 1 6.592 0.030 . 1 . . . . 29 TRP HZ3 . 10262 1 290 . 1 1 29 29 TRP C C 13 174.013 0.300 . 1 . . . . 29 TRP C . 10262 1 291 . 1 1 29 29 TRP CA C 13 56.626 0.300 . 1 . . . . 29 TRP CA . 10262 1 292 . 1 1 29 29 TRP CB C 13 29.487 0.300 . 1 . . . . 29 TRP CB . 10262 1 293 . 1 1 29 29 TRP CD1 C 13 126.556 0.300 . 1 . . . . 29 TRP CD1 . 10262 1 294 . 1 1 29 29 TRP CE3 C 13 119.887 0.300 . 1 . . . . 29 TRP CE3 . 10262 1 295 . 1 1 29 29 TRP CH2 C 13 123.355 0.300 . 1 . . . . 29 TRP CH2 . 10262 1 296 . 1 1 29 29 TRP CZ2 C 13 114.425 0.300 . 1 . . . . 29 TRP CZ2 . 10262 1 297 . 1 1 29 29 TRP CZ3 C 13 121.357 0.300 . 1 . . . . 29 TRP CZ3 . 10262 1 298 . 1 1 29 29 TRP N N 15 115.623 0.300 . 1 . . . . 29 TRP N . 10262 1 299 . 1 1 29 29 TRP NE1 N 15 123.938 0.300 . 1 . . . . 29 TRP NE1 . 10262 1 300 . 1 1 30 30 GLN H H 1 8.759 0.030 . 1 . . . . 30 GLN H . 10262 1 301 . 1 1 30 30 GLN HA H 1 4.641 0.030 . 1 . . . . 30 GLN HA . 10262 1 302 . 1 1 30 30 GLN HB2 H 1 2.104 0.030 . 2 . . . . 30 GLN HB2 . 10262 1 303 . 1 1 30 30 GLN HB3 H 1 1.853 0.030 . 2 . . . . 30 GLN HB3 . 10262 1 304 . 1 1 30 30 GLN HE21 H 1 7.516 0.030 . 2 . . . . 30 GLN HE21 . 10262 1 305 . 1 1 30 30 GLN HE22 H 1 6.837 0.030 . 2 . . . . 30 GLN HE22 . 10262 1 306 . 1 1 30 30 GLN HG2 H 1 2.494 0.030 . 2 . . . . 30 GLN HG2 . 10262 1 307 . 1 1 30 30 GLN HG3 H 1 2.444 0.030 . 2 . . . . 30 GLN HG3 . 10262 1 308 . 1 1 30 30 GLN C C 13 175.072 0.300 . 1 . . . . 30 GLN C . 10262 1 309 . 1 1 30 30 GLN CA C 13 52.975 0.300 . 1 . . . . 30 GLN CA . 10262 1 310 . 1 1 30 30 GLN CB C 13 28.398 0.300 . 1 . . . . 30 GLN CB . 10262 1 311 . 1 1 30 30 GLN CG C 13 33.594 0.300 . 1 . . . . 30 GLN CG . 10262 1 312 . 1 1 30 30 GLN N N 15 117.497 0.300 . 1 . . . . 30 GLN N . 10262 1 313 . 1 1 30 30 GLN NE2 N 15 112.344 0.300 . 1 . . . . 30 GLN NE2 . 10262 1 314 . 1 1 31 31 PRO HA H 1 4.487 0.030 . 1 . . . . 31 PRO HA . 10262 1 315 . 1 1 31 31 PRO HB2 H 1 2.177 0.030 . 2 . . . . 31 PRO HB2 . 10262 1 316 . 1 1 31 31 PRO HB3 H 1 2.043 0.030 . 2 . . . . 31 PRO HB3 . 10262 1 317 . 1 1 31 31 PRO HD2 H 1 3.816 0.030 . 2 . . . . 31 PRO HD2 . 10262 1 318 . 1 1 31 31 PRO HD3 H 1 3.678 0.030 . 2 . . . . 31 PRO HD3 . 10262 1 319 . 1 1 31 31 PRO HG2 H 1 2.093 0.030 . 2 . . . . 31 PRO HG2 . 10262 1 320 . 1 1 31 31 PRO C C 13 177.034 0.300 . 1 . . . . 31 PRO C . 10262 1 321 . 1 1 31 31 PRO CA C 13 62.710 0.300 . 1 . . . . 31 PRO CA . 10262 1 322 . 1 1 31 31 PRO CB C 13 32.738 0.300 . 1 . . . . 31 PRO CB . 10262 1 323 . 1 1 31 31 PRO CD C 13 50.449 0.300 . 1 . . . . 31 PRO CD . 10262 1 324 . 1 1 31 31 PRO CG C 13 27.215 0.300 . 1 . . . . 31 PRO CG . 10262 1 325 . 1 1 32 32 SER H H 1 8.259 0.030 . 1 . . . . 32 SER H . 10262 1 326 . 1 1 32 32 SER HA H 1 4.670 0.030 . 1 . . . . 32 SER HA . 10262 1 327 . 1 1 32 32 SER HB2 H 1 3.844 0.030 . 2 . . . . 32 SER HB2 . 10262 1 328 . 1 1 32 32 SER HB3 H 1 3.800 0.030 . 2 . . . . 32 SER HB3 . 10262 1 329 . 1 1 32 32 SER C C 13 174.689 0.300 . 1 . . . . 32 SER C . 10262 1 330 . 1 1 32 32 SER CA C 13 57.296 0.300 . 1 . . . . 32 SER CA . 10262 1 331 . 1 1 32 32 SER CB C 13 64.748 0.300 . 1 . . . . 32 SER CB . 10262 1 332 . 1 1 32 32 SER N N 15 117.667 0.300 . 1 . . . . 32 SER N . 10262 1 333 . 1 1 33 33 ALA H H 1 9.038 0.030 . 1 . . . . 33 ALA H . 10262 1 334 . 1 1 33 33 ALA HA H 1 4.126 0.030 . 1 . . . . 33 ALA HA . 10262 1 335 . 1 1 33 33 ALA HB1 H 1 1.378 0.030 . 1 . . . . 33 ALA HB . 10262 1 336 . 1 1 33 33 ALA HB2 H 1 1.378 0.030 . 1 . . . . 33 ALA HB . 10262 1 337 . 1 1 33 33 ALA HB3 H 1 1.378 0.030 . 1 . . . . 33 ALA HB . 10262 1 338 . 1 1 33 33 ALA C C 13 177.795 0.300 . 1 . . . . 33 ALA C . 10262 1 339 . 1 1 33 33 ALA CA C 13 54.213 0.300 . 1 . . . . 33 ALA CA . 10262 1 340 . 1 1 33 33 ALA CB C 13 17.948 0.300 . 1 . . . . 33 ALA CB . 10262 1 341 . 1 1 33 33 ALA N N 15 131.772 0.300 . 1 . . . . 33 ALA N . 10262 1 342 . 1 1 34 34 GLY H H 1 8.576 0.030 . 1 . . . . 34 GLY H . 10262 1 343 . 1 1 34 34 GLY HA2 H 1 4.171 0.030 . 2 . . . . 34 GLY HA2 . 10262 1 344 . 1 1 34 34 GLY HA3 H 1 3.592 0.030 . 2 . . . . 34 GLY HA3 . 10262 1 345 . 1 1 34 34 GLY C C 13 174.182 0.300 . 1 . . . . 34 GLY C . 10262 1 346 . 1 1 34 34 GLY CA C 13 44.987 0.300 . 1 . . . . 34 GLY CA . 10262 1 347 . 1 1 34 34 GLY N N 15 111.339 0.300 . 1 . . . . 34 GLY N . 10262 1 348 . 1 1 35 35 ALA H H 1 7.637 0.030 . 1 . . . . 35 ALA H . 10262 1 349 . 1 1 35 35 ALA HA H 1 4.210 0.030 . 1 . . . . 35 ALA HA . 10262 1 350 . 1 1 35 35 ALA HB1 H 1 1.274 0.030 . 1 . . . . 35 ALA HB . 10262 1 351 . 1 1 35 35 ALA HB2 H 1 1.274 0.030 . 1 . . . . 35 ALA HB . 10262 1 352 . 1 1 35 35 ALA HB3 H 1 1.274 0.030 . 1 . . . . 35 ALA HB . 10262 1 353 . 1 1 35 35 ALA C C 13 178.918 0.300 . 1 . . . . 35 ALA C . 10262 1 354 . 1 1 35 35 ALA CA C 13 52.671 0.300 . 1 . . . . 35 ALA CA . 10262 1 355 . 1 1 35 35 ALA CB C 13 18.988 0.300 . 1 . . . . 35 ALA CB . 10262 1 356 . 1 1 35 35 ALA N N 15 121.531 0.300 . 1 . . . . 35 ALA N . 10262 1 357 . 1 1 36 36 THR H H 1 9.428 0.030 . 1 . . . . 36 THR H . 10262 1 358 . 1 1 36 36 THR HA H 1 4.402 0.030 . 1 . . . . 36 THR HA . 10262 1 359 . 1 1 36 36 THR HB H 1 4.395 0.030 . 1 . . . . 36 THR HB . 10262 1 360 . 1 1 36 36 THR HG21 H 1 1.285 0.030 . 1 . . . . 36 THR HG2 . 10262 1 361 . 1 1 36 36 THR HG22 H 1 1.285 0.030 . 1 . . . . 36 THR HG2 . 10262 1 362 . 1 1 36 36 THR HG23 H 1 1.285 0.030 . 1 . . . . 36 THR HG2 . 10262 1 363 . 1 1 36 36 THR C C 13 174.739 0.300 . 1 . . . . 36 THR C . 10262 1 364 . 1 1 36 36 THR CA C 13 62.692 0.300 . 1 . . . . 36 THR CA . 10262 1 365 . 1 1 36 36 THR CB C 13 69.482 0.300 . 1 . . . . 36 THR CB . 10262 1 366 . 1 1 36 36 THR CG2 C 13 21.584 0.300 . 1 . . . . 36 THR CG2 . 10262 1 367 . 1 1 36 36 THR N N 15 113.103 0.300 . 1 . . . . 36 THR N . 10262 1 368 . 1 1 37 37 HIS H H 1 7.857 0.030 . 1 . . . . 37 HIS H . 10262 1 369 . 1 1 37 37 HIS HA H 1 4.878 0.030 . 1 . . . . 37 HIS HA . 10262 1 370 . 1 1 37 37 HIS HB2 H 1 3.443 0.030 . 2 . . . . 37 HIS HB2 . 10262 1 371 . 1 1 37 37 HIS HB3 H 1 2.862 0.030 . 2 . . . . 37 HIS HB3 . 10262 1 372 . 1 1 37 37 HIS HD2 H 1 6.712 0.030 . 1 . . . . 37 HIS HD2 . 10262 1 373 . 1 1 37 37 HIS HE1 H 1 7.639 0.030 . 1 . . . . 37 HIS HE1 . 10262 1 374 . 1 1 37 37 HIS C C 13 171.103 0.300 . 1 . . . . 37 HIS C . 10262 1 375 . 1 1 37 37 HIS CA C 13 55.867 0.300 . 1 . . . . 37 HIS CA . 10262 1 376 . 1 1 37 37 HIS CB C 13 32.655 0.300 . 1 . . . . 37 HIS CB . 10262 1 377 . 1 1 37 37 HIS CD2 C 13 117.944 0.300 . 1 . . . . 37 HIS CD2 . 10262 1 378 . 1 1 37 37 HIS CE1 C 13 139.254 0.300 . 1 . . . . 37 HIS CE1 . 10262 1 379 . 1 1 37 37 HIS N N 15 118.486 0.300 . 1 . . . . 37 HIS N . 10262 1 380 . 1 1 38 38 TYR H H 1 9.217 0.030 . 1 . . . . 38 TYR H . 10262 1 381 . 1 1 38 38 TYR HA H 1 5.303 0.030 . 1 . . . . 38 TYR HA . 10262 1 382 . 1 1 38 38 TYR HB2 H 1 2.955 0.030 . 2 . . . . 38 TYR HB2 . 10262 1 383 . 1 1 38 38 TYR HB3 H 1 2.829 0.030 . 2 . . . . 38 TYR HB3 . 10262 1 384 . 1 1 38 38 TYR HD1 H 1 7.062 0.030 . 1 . . . . 38 TYR HD1 . 10262 1 385 . 1 1 38 38 TYR HD2 H 1 7.062 0.030 . 1 . . . . 38 TYR HD2 . 10262 1 386 . 1 1 38 38 TYR HE1 H 1 6.538 0.030 . 1 . . . . 38 TYR HE1 . 10262 1 387 . 1 1 38 38 TYR HE2 H 1 6.538 0.030 . 1 . . . . 38 TYR HE2 . 10262 1 388 . 1 1 38 38 TYR C C 13 173.922 0.300 . 1 . . . . 38 TYR C . 10262 1 389 . 1 1 38 38 TYR CA C 13 56.504 0.300 . 1 . . . . 38 TYR CA . 10262 1 390 . 1 1 38 38 TYR CB C 13 41.823 0.300 . 1 . . . . 38 TYR CB . 10262 1 391 . 1 1 38 38 TYR CD1 C 13 135.507 0.300 . 1 . . . . 38 TYR CD1 . 10262 1 392 . 1 1 38 38 TYR CD2 C 13 135.507 0.300 . 1 . . . . 38 TYR CD2 . 10262 1 393 . 1 1 38 38 TYR CE1 C 13 116.863 0.300 . 1 . . . . 38 TYR CE1 . 10262 1 394 . 1 1 38 38 TYR CE2 C 13 116.863 0.300 . 1 . . . . 38 TYR CE2 . 10262 1 395 . 1 1 38 38 TYR N N 15 114.077 0.300 . 1 . . . . 38 TYR N . 10262 1 396 . 1 1 39 39 LEU H H 1 9.052 0.030 . 1 . . . . 39 LEU H . 10262 1 397 . 1 1 39 39 LEU HA H 1 5.061 0.030 . 1 . . . . 39 LEU HA . 10262 1 398 . 1 1 39 39 LEU HB2 H 1 1.777 0.030 . 2 . . . . 39 LEU HB2 . 10262 1 399 . 1 1 39 39 LEU HB3 H 1 1.430 0.030 . 2 . . . . 39 LEU HB3 . 10262 1 400 . 1 1 39 39 LEU HD11 H 1 0.867 0.030 . 1 . . . . 39 LEU HD1 . 10262 1 401 . 1 1 39 39 LEU HD12 H 1 0.867 0.030 . 1 . . . . 39 LEU HD1 . 10262 1 402 . 1 1 39 39 LEU HD13 H 1 0.867 0.030 . 1 . . . . 39 LEU HD1 . 10262 1 403 . 1 1 39 39 LEU HD21 H 1 0.886 0.030 . 1 . . . . 39 LEU HD2 . 10262 1 404 . 1 1 39 39 LEU HD22 H 1 0.886 0.030 . 1 . . . . 39 LEU HD2 . 10262 1 405 . 1 1 39 39 LEU HD23 H 1 0.886 0.030 . 1 . . . . 39 LEU HD2 . 10262 1 406 . 1 1 39 39 LEU HG H 1 1.384 0.030 . 1 . . . . 39 LEU HG . 10262 1 407 . 1 1 39 39 LEU C C 13 175.455 0.300 . 1 . . . . 39 LEU C . 10262 1 408 . 1 1 39 39 LEU CA C 13 53.855 0.300 . 1 . . . . 39 LEU CA . 10262 1 409 . 1 1 39 39 LEU CB C 13 45.254 0.300 . 1 . . . . 39 LEU CB . 10262 1 410 . 1 1 39 39 LEU CD1 C 13 25.255 0.300 . 2 . . . . 39 LEU CD1 . 10262 1 411 . 1 1 39 39 LEU CD2 C 13 24.009 0.300 . 2 . . . . 39 LEU CD2 . 10262 1 412 . 1 1 39 39 LEU CG C 13 28.012 0.300 . 1 . . . . 39 LEU CG . 10262 1 413 . 1 1 39 39 LEU N N 15 123.997 0.300 . 1 . . . . 39 LEU N . 10262 1 414 . 1 1 40 40 VAL H H 1 9.520 0.030 . 1 . . . . 40 VAL H . 10262 1 415 . 1 1 40 40 VAL HA H 1 4.988 0.030 . 1 . . . . 40 VAL HA . 10262 1 416 . 1 1 40 40 VAL HB H 1 2.245 0.030 . 1 . . . . 40 VAL HB . 10262 1 417 . 1 1 40 40 VAL HG11 H 1 0.944 0.030 . 1 . . . . 40 VAL HG1 . 10262 1 418 . 1 1 40 40 VAL HG12 H 1 0.944 0.030 . 1 . . . . 40 VAL HG1 . 10262 1 419 . 1 1 40 40 VAL HG13 H 1 0.944 0.030 . 1 . . . . 40 VAL HG1 . 10262 1 420 . 1 1 40 40 VAL HG21 H 1 0.834 0.030 . 1 . . . . 40 VAL HG2 . 10262 1 421 . 1 1 40 40 VAL HG22 H 1 0.834 0.030 . 1 . . . . 40 VAL HG2 . 10262 1 422 . 1 1 40 40 VAL HG23 H 1 0.834 0.030 . 1 . . . . 40 VAL HG2 . 10262 1 423 . 1 1 40 40 VAL C C 13 174.578 0.300 . 1 . . . . 40 VAL C . 10262 1 424 . 1 1 40 40 VAL CA C 13 60.575 0.300 . 1 . . . . 40 VAL CA . 10262 1 425 . 1 1 40 40 VAL CB C 13 33.284 0.300 . 1 . . . . 40 VAL CB . 10262 1 426 . 1 1 40 40 VAL CG1 C 13 21.260 0.300 . 2 . . . . 40 VAL CG1 . 10262 1 427 . 1 1 40 40 VAL CG2 C 13 21.300 0.300 . 2 . . . . 40 VAL CG2 . 10262 1 428 . 1 1 40 40 VAL N N 15 129.678 0.300 . 1 . . . . 40 VAL N . 10262 1 429 . 1 1 41 41 ARG H H 1 9.096 0.030 . 1 . . . . 41 ARG H . 10262 1 430 . 1 1 41 41 ARG HA H 1 5.384 0.030 . 1 . . . . 41 ARG HA . 10262 1 431 . 1 1 41 41 ARG HB2 H 1 1.774 0.030 . 2 . . . . 41 ARG HB2 . 10262 1 432 . 1 1 41 41 ARG HB3 H 1 1.620 0.030 . 2 . . . . 41 ARG HB3 . 10262 1 433 . 1 1 41 41 ARG HD2 H 1 3.123 0.030 . 2 . . . . 41 ARG HD2 . 10262 1 434 . 1 1 41 41 ARG HD3 H 1 3.043 0.030 . 2 . . . . 41 ARG HD3 . 10262 1 435 . 1 1 41 41 ARG HG2 H 1 1.549 0.030 . 2 . . . . 41 ARG HG2 . 10262 1 436 . 1 1 41 41 ARG HG3 H 1 1.484 0.030 . 2 . . . . 41 ARG HG3 . 10262 1 437 . 1 1 41 41 ARG C C 13 175.100 0.300 . 1 . . . . 41 ARG C . 10262 1 438 . 1 1 41 41 ARG CA C 13 54.297 0.300 . 1 . . . . 41 ARG CA . 10262 1 439 . 1 1 41 41 ARG CB C 13 33.003 0.300 . 1 . . . . 41 ARG CB . 10262 1 440 . 1 1 41 41 ARG CD C 13 43.371 0.300 . 1 . . . . 41 ARG CD . 10262 1 441 . 1 1 41 41 ARG CG C 13 28.500 0.300 . 1 . . . . 41 ARG CG . 10262 1 442 . 1 1 41 41 ARG N N 15 126.332 0.300 . 1 . . . . 41 ARG N . 10262 1 443 . 1 1 42 42 CYS H H 1 9.004 0.030 . 1 . . . . 42 CYS H . 10262 1 444 . 1 1 42 42 CYS HA H 1 5.309 0.030 . 1 . . . . 42 CYS HA . 10262 1 445 . 1 1 42 42 CYS HB2 H 1 2.766 0.030 . 2 . . . . 42 CYS HB2 . 10262 1 446 . 1 1 42 42 CYS HB3 H 1 2.325 0.030 . 2 . . . . 42 CYS HB3 . 10262 1 447 . 1 1 42 42 CYS C C 13 173.417 0.300 . 1 . . . . 42 CYS C . 10262 1 448 . 1 1 42 42 CYS CA C 13 57.508 0.300 . 1 . . . . 42 CYS CA . 10262 1 449 . 1 1 42 42 CYS CB C 13 28.859 0.300 . 1 . . . . 42 CYS CB . 10262 1 450 . 1 1 42 42 CYS N N 15 123.359 0.300 . 1 . . . . 42 CYS N . 10262 1 451 . 1 1 43 43 SER H H 1 9.102 0.030 . 1 . . . . 43 SER H . 10262 1 452 . 1 1 43 43 SER HA H 1 5.324 0.030 . 1 . . . . 43 SER HA . 10262 1 453 . 1 1 43 43 SER HB2 H 1 3.940 0.030 . 2 . . . . 43 SER HB2 . 10262 1 454 . 1 1 43 43 SER HB3 H 1 3.800 0.030 . 2 . . . . 43 SER HB3 . 10262 1 455 . 1 1 43 43 SER C C 13 171.429 0.300 . 1 . . . . 43 SER C . 10262 1 456 . 1 1 43 43 SER CA C 13 55.621 0.300 . 1 . . . . 43 SER CA . 10262 1 457 . 1 1 43 43 SER CB C 13 64.856 0.300 . 1 . . . . 43 SER CB . 10262 1 458 . 1 1 43 43 SER N N 15 125.444 0.300 . 1 . . . . 43 SER N . 10262 1 459 . 1 1 44 44 PRO HA H 1 4.389 0.030 . 1 . . . . 44 PRO HA . 10262 1 460 . 1 1 44 44 PRO HB2 H 1 2.082 0.030 . 2 . . . . 44 PRO HB2 . 10262 1 461 . 1 1 44 44 PRO HB3 H 1 1.620 0.030 . 2 . . . . 44 PRO HB3 . 10262 1 462 . 1 1 44 44 PRO HD2 H 1 4.051 0.030 . 2 . . . . 44 PRO HD2 . 10262 1 463 . 1 1 44 44 PRO HD3 H 1 3.809 0.030 . 2 . . . . 44 PRO HD3 . 10262 1 464 . 1 1 44 44 PRO HG2 H 1 2.106 0.030 . 2 . . . . 44 PRO HG2 . 10262 1 465 . 1 1 44 44 PRO HG3 H 1 2.020 0.030 . 2 . . . . 44 PRO HG3 . 10262 1 466 . 1 1 44 44 PRO C C 13 176.559 0.300 . 1 . . . . 44 PRO C . 10262 1 467 . 1 1 44 44 PRO CA C 13 63.027 0.300 . 1 . . . . 44 PRO CA . 10262 1 468 . 1 1 44 44 PRO CB C 13 31.935 0.300 . 1 . . . . 44 PRO CB . 10262 1 469 . 1 1 44 44 PRO CD C 13 50.707 0.300 . 1 . . . . 44 PRO CD . 10262 1 470 . 1 1 44 44 PRO CG C 13 27.963 0.300 . 1 . . . . 44 PRO CG . 10262 1 471 . 1 1 45 45 ALA H H 1 8.261 0.030 . 1 . . . . 45 ALA H . 10262 1 472 . 1 1 45 45 ALA HA H 1 4.157 0.030 . 1 . . . . 45 ALA HA . 10262 1 473 . 1 1 45 45 ALA HB1 H 1 1.206 0.030 . 1 . . . . 45 ALA HB . 10262 1 474 . 1 1 45 45 ALA HB2 H 1 1.206 0.030 . 1 . . . . 45 ALA HB . 10262 1 475 . 1 1 45 45 ALA HB3 H 1 1.206 0.030 . 1 . . . . 45 ALA HB . 10262 1 476 . 1 1 45 45 ALA C C 13 177.706 0.300 . 1 . . . . 45 ALA C . 10262 1 477 . 1 1 45 45 ALA CA C 13 53.284 0.300 . 1 . . . . 45 ALA CA . 10262 1 478 . 1 1 45 45 ALA CB C 13 18.978 0.300 . 1 . . . . 45 ALA CB . 10262 1 479 . 1 1 45 45 ALA N N 15 126.162 0.300 . 1 . . . . 45 ALA N . 10262 1 480 . 1 1 46 46 SER H H 1 8.275 0.030 . 1 . . . . 46 SER H . 10262 1 481 . 1 1 46 46 SER HA H 1 4.779 0.030 . 1 . . . . 46 SER HA . 10262 1 482 . 1 1 46 46 SER HB2 H 1 3.833 0.030 . 2 . . . . 46 SER HB2 . 10262 1 483 . 1 1 46 46 SER HB3 H 1 3.735 0.030 . 2 . . . . 46 SER HB3 . 10262 1 484 . 1 1 46 46 SER C C 13 172.182 0.300 . 1 . . . . 46 SER C . 10262 1 485 . 1 1 46 46 SER CA C 13 55.091 0.300 . 1 . . . . 46 SER CA . 10262 1 486 . 1 1 46 46 SER CB C 13 63.130 0.300 . 1 . . . . 46 SER CB . 10262 1 487 . 1 1 46 46 SER N N 15 113.009 0.300 . 1 . . . . 46 SER N . 10262 1 488 . 1 1 47 47 PRO HA H 1 4.336 0.030 . 1 . . . . 47 PRO HA . 10262 1 489 . 1 1 47 47 PRO HB2 H 1 2.215 0.030 . 2 . . . . 47 PRO HB2 . 10262 1 490 . 1 1 47 47 PRO HB3 H 1 2.028 0.030 . 2 . . . . 47 PRO HB3 . 10262 1 491 . 1 1 47 47 PRO HD3 H 1 3.678 0.030 . 2 . . . . 47 PRO HD3 . 10262 1 492 . 1 1 47 47 PRO HG2 H 1 2.056 0.030 . 2 . . . . 47 PRO HG2 . 10262 1 493 . 1 1 47 47 PRO C C 13 177.165 0.300 . 1 . . . . 47 PRO C . 10262 1 494 . 1 1 47 47 PRO CA C 13 63.268 0.300 . 1 . . . . 47 PRO CA . 10262 1 495 . 1 1 47 47 PRO CB C 13 32.528 0.300 . 1 . . . . 47 PRO CB . 10262 1 496 . 1 1 47 47 PRO CD C 13 50.542 0.300 . 1 . . . . 47 PRO CD . 10262 1 497 . 1 1 47 47 PRO CG C 13 27.132 0.300 . 1 . . . . 47 PRO CG . 10262 1 498 . 1 1 48 48 LYS H H 1 9.089 0.030 . 1 . . . . 48 LYS H . 10262 1 499 . 1 1 48 48 LYS HA H 1 4.408 0.030 . 1 . . . . 48 LYS HA . 10262 1 500 . 1 1 48 48 LYS HB2 H 1 1.886 0.030 . 2 . . . . 48 LYS HB2 . 10262 1 501 . 1 1 48 48 LYS HB3 H 1 1.725 0.030 . 2 . . . . 48 LYS HB3 . 10262 1 502 . 1 1 48 48 LYS HD2 H 1 1.681 0.030 . 1 . . . . 48 LYS HD2 . 10262 1 503 . 1 1 48 48 LYS HD3 H 1 1.681 0.030 . 1 . . . . 48 LYS HD3 . 10262 1 504 . 1 1 48 48 LYS HE2 H 1 3.014 0.030 . 2 . . . . 48 LYS HE2 . 10262 1 505 . 1 1 48 48 LYS HE3 H 1 2.974 0.030 . 2 . . . . 48 LYS HE3 . 10262 1 506 . 1 1 48 48 LYS HG2 H 1 1.423 0.030 . 1 . . . . 48 LYS HG2 . 10262 1 507 . 1 1 48 48 LYS HG3 H 1 1.423 0.030 . 1 . . . . 48 LYS HG3 . 10262 1 508 . 1 1 48 48 LYS C C 13 176.917 0.300 . 1 . . . . 48 LYS C . 10262 1 509 . 1 1 48 48 LYS CA C 13 55.893 0.300 . 1 . . . . 48 LYS CA . 10262 1 510 . 1 1 48 48 LYS CB C 13 32.997 0.300 . 1 . . . . 48 LYS CB . 10262 1 511 . 1 1 48 48 LYS CD C 13 29.145 0.300 . 1 . . . . 48 LYS CD . 10262 1 512 . 1 1 48 48 LYS CE C 13 42.255 0.300 . 1 . . . . 48 LYS CE . 10262 1 513 . 1 1 48 48 LYS CG C 13 24.794 0.300 . 1 . . . . 48 LYS CG . 10262 1 514 . 1 1 48 48 LYS N N 15 122.579 0.300 . 1 . . . . 48 LYS N . 10262 1 515 . 1 1 49 49 GLY HA2 H 1 4.021 0.030 . 2 . . . . 49 GLY HA2 . 10262 1 516 . 1 1 49 49 GLY HA3 H 1 3.881 0.030 . 2 . . . . 49 GLY HA3 . 10262 1 517 . 1 1 49 49 GLY C C 13 174.552 0.300 . 1 . . . . 49 GLY C . 10262 1 518 . 1 1 49 49 GLY CA C 13 46.011 0.300 . 1 . . . . 49 GLY CA . 10262 1 519 . 1 1 50 50 GLU H H 1 8.608 0.030 . 1 . . . . 50 GLU H . 10262 1 520 . 1 1 50 50 GLU HA H 1 4.335 0.030 . 1 . . . . 50 GLU HA . 10262 1 521 . 1 1 50 50 GLU HB2 H 1 2.150 0.030 . 2 . . . . 50 GLU HB2 . 10262 1 522 . 1 1 50 50 GLU HB3 H 1 1.971 0.030 . 2 . . . . 50 GLU HB3 . 10262 1 523 . 1 1 50 50 GLU HG2 H 1 2.252 0.030 . 1 . . . . 50 GLU HG2 . 10262 1 524 . 1 1 50 50 GLU HG3 H 1 2.252 0.030 . 1 . . . . 50 GLU HG3 . 10262 1 525 . 1 1 50 50 GLU C C 13 176.672 0.300 . 1 . . . . 50 GLU C . 10262 1 526 . 1 1 50 50 GLU CA C 13 56.978 0.300 . 1 . . . . 50 GLU CA . 10262 1 527 . 1 1 50 50 GLU CB C 13 29.458 0.300 . 1 . . . . 50 GLU CB . 10262 1 528 . 1 1 50 50 GLU CG C 13 36.692 0.300 . 1 . . . . 50 GLU CG . 10262 1 529 . 1 1 50 50 GLU N N 15 121.378 0.300 . 1 . . . . 50 GLU N . 10262 1 530 . 1 1 51 51 GLU H H 1 8.287 0.030 . 1 . . . . 51 GLU H . 10262 1 531 . 1 1 51 51 GLU HA H 1 4.381 0.030 . 1 . . . . 51 GLU HA . 10262 1 532 . 1 1 51 51 GLU HB2 H 1 2.056 0.030 . 2 . . . . 51 GLU HB2 . 10262 1 533 . 1 1 51 51 GLU HB3 H 1 2.019 0.030 . 2 . . . . 51 GLU HB3 . 10262 1 534 . 1 1 51 51 GLU HG2 H 1 2.333 0.030 . 1 . . . . 51 GLU HG2 . 10262 1 535 . 1 1 51 51 GLU HG3 H 1 2.333 0.030 . 1 . . . . 51 GLU HG3 . 10262 1 536 . 1 1 51 51 GLU C C 13 176.218 0.300 . 1 . . . . 51 GLU C . 10262 1 537 . 1 1 51 51 GLU CA C 13 56.996 0.300 . 1 . . . . 51 GLU CA . 10262 1 538 . 1 1 51 51 GLU CB C 13 31.066 0.300 . 1 . . . . 51 GLU CB . 10262 1 539 . 1 1 51 51 GLU CG C 13 36.949 0.300 . 1 . . . . 51 GLU CG . 10262 1 540 . 1 1 51 51 GLU N N 15 120.863 0.300 . 1 . . . . 51 GLU N . 10262 1 541 . 1 1 52 52 GLU H H 1 8.445 0.030 . 1 . . . . 52 GLU H . 10262 1 542 . 1 1 52 52 GLU HA H 1 4.464 0.030 . 1 . . . . 52 GLU HA . 10262 1 543 . 1 1 52 52 GLU HB2 H 1 2.176 0.030 . 2 . . . . 52 GLU HB2 . 10262 1 544 . 1 1 52 52 GLU HB3 H 1 1.974 0.030 . 2 . . . . 52 GLU HB3 . 10262 1 545 . 1 1 52 52 GLU HG2 H 1 2.338 0.030 . 2 . . . . 52 GLU HG2 . 10262 1 546 . 1 1 52 52 GLU HG3 H 1 2.263 0.030 . 2 . . . . 52 GLU HG3 . 10262 1 547 . 1 1 52 52 GLU C C 13 176.128 0.300 . 1 . . . . 52 GLU C . 10262 1 548 . 1 1 52 52 GLU CA C 13 55.955 0.300 . 1 . . . . 52 GLU CA . 10262 1 549 . 1 1 52 52 GLU CB C 13 31.691 0.300 . 1 . . . . 52 GLU CB . 10262 1 550 . 1 1 52 52 GLU CG C 13 36.685 0.300 . 1 . . . . 52 GLU CG . 10262 1 551 . 1 1 52 52 GLU N N 15 121.103 0.300 . 1 . . . . 52 GLU N . 10262 1 552 . 1 1 53 53 GLU H H 1 8.441 0.030 . 1 . . . . 53 GLU H . 10262 1 553 . 1 1 53 53 GLU HA H 1 4.609 0.030 . 1 . . . . 53 GLU HA . 10262 1 554 . 1 1 53 53 GLU HB2 H 1 2.060 0.030 . 1 . . . . 53 GLU HB2 . 10262 1 555 . 1 1 53 53 GLU HB3 H 1 2.060 0.030 . 1 . . . . 53 GLU HB3 . 10262 1 556 . 1 1 53 53 GLU HG2 H 1 2.249 0.030 . 2 . . . . 53 GLU HG2 . 10262 1 557 . 1 1 53 53 GLU HG3 H 1 2.181 0.030 . 2 . . . . 53 GLU HG3 . 10262 1 558 . 1 1 53 53 GLU C C 13 175.816 0.300 . 1 . . . . 53 GLU C . 10262 1 559 . 1 1 53 53 GLU CA C 13 56.697 0.300 . 1 . . . . 53 GLU CA . 10262 1 560 . 1 1 53 53 GLU CB C 13 31.022 0.300 . 1 . . . . 53 GLU CB . 10262 1 561 . 1 1 53 53 GLU CG C 13 36.776 0.300 . 1 . . . . 53 GLU CG . 10262 1 562 . 1 1 53 53 GLU N N 15 121.949 0.300 . 1 . . . . 53 GLU N . 10262 1 563 . 1 1 54 54 ARG H H 1 8.569 0.030 . 1 . . . . 54 ARG H . 10262 1 564 . 1 1 54 54 ARG HA H 1 4.768 0.030 . 1 . . . . 54 ARG HA . 10262 1 565 . 1 1 54 54 ARG HB2 H 1 1.869 0.030 . 2 . . . . 54 ARG HB2 . 10262 1 566 . 1 1 54 54 ARG HB3 H 1 1.781 0.030 . 2 . . . . 54 ARG HB3 . 10262 1 567 . 1 1 54 54 ARG HD2 H 1 3.179 0.030 . 1 . . . . 54 ARG HD2 . 10262 1 568 . 1 1 54 54 ARG HD3 H 1 3.179 0.030 . 1 . . . . 54 ARG HD3 . 10262 1 569 . 1 1 54 54 ARG HG2 H 1 1.723 0.030 . 2 . . . . 54 ARG HG2 . 10262 1 570 . 1 1 54 54 ARG HG3 H 1 1.669 0.030 . 2 . . . . 54 ARG HG3 . 10262 1 571 . 1 1 54 54 ARG C C 13 174.881 0.300 . 1 . . . . 54 ARG C . 10262 1 572 . 1 1 54 54 ARG CA C 13 54.950 0.300 . 1 . . . . 54 ARG CA . 10262 1 573 . 1 1 54 54 ARG CB C 13 33.374 0.300 . 1 . . . . 54 ARG CB . 10262 1 574 . 1 1 54 54 ARG CD C 13 43.680 0.300 . 1 . . . . 54 ARG CD . 10262 1 575 . 1 1 54 54 ARG CG C 13 26.638 0.300 . 1 . . . . 54 ARG CG . 10262 1 576 . 1 1 54 54 ARG N N 15 123.714 0.300 . 1 . . . . 54 ARG N . 10262 1 577 . 1 1 55 55 GLU H H 1 8.650 0.030 . 1 . . . . 55 GLU H . 10262 1 578 . 1 1 55 55 GLU HA H 1 5.493 0.030 . 1 . . . . 55 GLU HA . 10262 1 579 . 1 1 55 55 GLU HB2 H 1 1.946 0.030 . 1 . . . . 55 GLU HB2 . 10262 1 580 . 1 1 55 55 GLU HB3 H 1 1.946 0.030 . 1 . . . . 55 GLU HB3 . 10262 1 581 . 1 1 55 55 GLU HG2 H 1 2.172 0.030 . 2 . . . . 55 GLU HG2 . 10262 1 582 . 1 1 55 55 GLU HG3 H 1 2.043 0.030 . 2 . . . . 55 GLU HG3 . 10262 1 583 . 1 1 55 55 GLU C C 13 175.566 0.300 . 1 . . . . 55 GLU C . 10262 1 584 . 1 1 55 55 GLU CA C 13 54.915 0.300 . 1 . . . . 55 GLU CA . 10262 1 585 . 1 1 55 55 GLU CB C 13 33.250 0.300 . 1 . . . . 55 GLU CB . 10262 1 586 . 1 1 55 55 GLU CG C 13 37.041 0.300 . 1 . . . . 55 GLU CG . 10262 1 587 . 1 1 55 55 GLU N N 15 123.537 0.300 . 1 . . . . 55 GLU N . 10262 1 588 . 1 1 56 56 VAL H H 1 9.419 0.030 . 1 . . . . 56 VAL H . 10262 1 589 . 1 1 56 56 VAL HA H 1 4.524 0.030 . 1 . . . . 56 VAL HA . 10262 1 590 . 1 1 56 56 VAL HB H 1 2.019 0.030 . 1 . . . . 56 VAL HB . 10262 1 591 . 1 1 56 56 VAL HG11 H 1 0.959 0.030 . 1 . . . . 56 VAL HG1 . 10262 1 592 . 1 1 56 56 VAL HG12 H 1 0.959 0.030 . 1 . . . . 56 VAL HG1 . 10262 1 593 . 1 1 56 56 VAL HG13 H 1 0.959 0.030 . 1 . . . . 56 VAL HG1 . 10262 1 594 . 1 1 56 56 VAL HG21 H 1 0.908 0.030 . 1 . . . . 56 VAL HG2 . 10262 1 595 . 1 1 56 56 VAL HG22 H 1 0.908 0.030 . 1 . . . . 56 VAL HG2 . 10262 1 596 . 1 1 56 56 VAL HG23 H 1 0.908 0.030 . 1 . . . . 56 VAL HG2 . 10262 1 597 . 1 1 56 56 VAL C C 13 173.502 0.300 . 1 . . . . 56 VAL C . 10262 1 598 . 1 1 56 56 VAL CA C 13 60.981 0.300 . 1 . . . . 56 VAL CA . 10262 1 599 . 1 1 56 56 VAL CB C 13 36.117 0.300 . 1 . . . . 56 VAL CB . 10262 1 600 . 1 1 56 56 VAL CG1 C 13 21.093 0.300 . 2 . . . . 56 VAL CG1 . 10262 1 601 . 1 1 56 56 VAL CG2 C 13 20.461 0.300 . 2 . . . . 56 VAL CG2 . 10262 1 602 . 1 1 56 56 VAL N N 15 123.343 0.300 . 1 . . . . 56 VAL N . 10262 1 603 . 1 1 57 57 GLN H H 1 8.767 0.030 . 1 . . . . 57 GLN H . 10262 1 604 . 1 1 57 57 GLN HA H 1 5.671 0.030 . 1 . . . . 57 GLN HA . 10262 1 605 . 1 1 57 57 GLN HB2 H 1 2.060 0.030 . 2 . . . . 57 GLN HB2 . 10262 1 606 . 1 1 57 57 GLN HB3 H 1 2.012 0.030 . 2 . . . . 57 GLN HB3 . 10262 1 607 . 1 1 57 57 GLN HE21 H 1 7.055 0.030 . 2 . . . . 57 GLN HE21 . 10262 1 608 . 1 1 57 57 GLN HE22 H 1 6.555 0.030 . 2 . . . . 57 GLN HE22 . 10262 1 609 . 1 1 57 57 GLN HG2 H 1 2.395 0.030 . 2 . . . . 57 GLN HG2 . 10262 1 610 . 1 1 57 57 GLN HG3 H 1 2.213 0.030 . 2 . . . . 57 GLN HG3 . 10262 1 611 . 1 1 57 57 GLN C C 13 176.357 0.300 . 1 . . . . 57 GLN C . 10262 1 612 . 1 1 57 57 GLN CA C 13 54.735 0.300 . 1 . . . . 57 GLN CA . 10262 1 613 . 1 1 57 57 GLN CB C 13 30.781 0.300 . 1 . . . . 57 GLN CB . 10262 1 614 . 1 1 57 57 GLN CG C 13 35.046 0.300 . 1 . . . . 57 GLN CG . 10262 1 615 . 1 1 57 57 GLN N N 15 125.639 0.300 . 1 . . . . 57 GLN N . 10262 1 616 . 1 1 57 57 GLN NE2 N 15 110.350 0.300 . 1 . . . . 57 GLN NE2 . 10262 1 617 . 1 1 58 58 VAL H H 1 9.217 0.030 . 1 . . . . 58 VAL H . 10262 1 618 . 1 1 58 58 VAL HA H 1 5.129 0.030 . 1 . . . . 58 VAL HA . 10262 1 619 . 1 1 58 58 VAL HB H 1 2.723 0.030 . 1 . . . . 58 VAL HB . 10262 1 620 . 1 1 58 58 VAL HG11 H 1 1.233 0.030 . 1 . . . . 58 VAL HG1 . 10262 1 621 . 1 1 58 58 VAL HG12 H 1 1.233 0.030 . 1 . . . . 58 VAL HG1 . 10262 1 622 . 1 1 58 58 VAL HG13 H 1 1.233 0.030 . 1 . . . . 58 VAL HG1 . 10262 1 623 . 1 1 58 58 VAL HG21 H 1 1.494 0.030 . 1 . . . . 58 VAL HG2 . 10262 1 624 . 1 1 58 58 VAL HG22 H 1 1.494 0.030 . 1 . . . . 58 VAL HG2 . 10262 1 625 . 1 1 58 58 VAL HG23 H 1 1.494 0.030 . 1 . . . . 58 VAL HG2 . 10262 1 626 . 1 1 58 58 VAL C C 13 175.925 0.300 . 1 . . . . 58 VAL C . 10262 1 627 . 1 1 58 58 VAL CA C 13 59.652 0.300 . 1 . . . . 58 VAL CA . 10262 1 628 . 1 1 58 58 VAL CB C 13 36.540 0.300 . 1 . . . . 58 VAL CB . 10262 1 629 . 1 1 58 58 VAL CG1 C 13 23.165 0.300 . 2 . . . . 58 VAL CG1 . 10262 1 630 . 1 1 58 58 VAL CG2 C 13 19.900 0.300 . 2 . . . . 58 VAL CG2 . 10262 1 631 . 1 1 58 58 VAL N N 15 117.022 0.300 . 1 . . . . 58 VAL N . 10262 1 632 . 1 1 59 59 GLY H H 1 9.008 0.030 . 1 . . . . 59 GLY H . 10262 1 633 . 1 1 59 59 GLY HA2 H 1 4.670 0.030 . 2 . . . . 59 GLY HA2 . 10262 1 634 . 1 1 59 59 GLY HA3 H 1 3.914 0.030 . 2 . . . . 59 GLY HA3 . 10262 1 635 . 1 1 59 59 GLY C C 13 173.386 0.300 . 1 . . . . 59 GLY C . 10262 1 636 . 1 1 59 59 GLY CA C 13 45.093 0.300 . 1 . . . . 59 GLY CA . 10262 1 637 . 1 1 59 59 GLY N N 15 109.174 0.300 . 1 . . . . 59 GLY N . 10262 1 638 . 1 1 60 60 ARG H H 1 7.695 0.030 . 1 . . . . 60 ARG H . 10262 1 639 . 1 1 60 60 ARG HA H 1 4.866 0.030 . 1 . . . . 60 ARG HA . 10262 1 640 . 1 1 60 60 ARG HB2 H 1 1.904 0.030 . 2 . . . . 60 ARG HB2 . 10262 1 641 . 1 1 60 60 ARG HB3 H 1 1.799 0.030 . 2 . . . . 60 ARG HB3 . 10262 1 642 . 1 1 60 60 ARG HD2 H 1 3.241 0.030 . 2 . . . . 60 ARG HD2 . 10262 1 643 . 1 1 60 60 ARG HG2 H 1 1.735 0.030 . 2 . . . . 60 ARG HG2 . 10262 1 644 . 1 1 60 60 ARG HG3 H 1 1.624 0.030 . 2 . . . . 60 ARG HG3 . 10262 1 645 . 1 1 60 60 ARG C C 13 173.760 0.300 . 1 . . . . 60 ARG C . 10262 1 646 . 1 1 60 60 ARG CA C 13 52.764 0.300 . 1 . . . . 60 ARG CA . 10262 1 647 . 1 1 60 60 ARG CB C 13 31.785 0.300 . 1 . . . . 60 ARG CB . 10262 1 648 . 1 1 60 60 ARG CD C 13 43.382 0.300 . 1 . . . . 60 ARG CD . 10262 1 649 . 1 1 60 60 ARG CG C 13 26.502 0.300 . 1 . . . . 60 ARG CG . 10262 1 650 . 1 1 60 60 ARG N N 15 118.520 0.300 . 1 . . . . 60 ARG N . 10262 1 651 . 1 1 61 61 PRO HA H 1 3.539 0.030 . 1 . . . . 61 PRO HA . 10262 1 652 . 1 1 61 61 PRO HB2 H 1 1.666 0.030 . 1 . . . . 61 PRO HB2 . 10262 1 653 . 1 1 61 61 PRO HB3 H 1 1.666 0.030 . 1 . . . . 61 PRO HB3 . 10262 1 654 . 1 1 61 61 PRO HD2 H 1 3.494 0.030 . 1 . . . . 61 PRO HD2 . 10262 1 655 . 1 1 61 61 PRO HD3 H 1 3.494 0.030 . 1 . . . . 61 PRO HD3 . 10262 1 656 . 1 1 61 61 PRO HG2 H 1 1.785 0.030 . 2 . . . . 61 PRO HG2 . 10262 1 657 . 1 1 61 61 PRO HG3 H 1 0.517 0.030 . 2 . . . . 61 PRO HG3 . 10262 1 658 . 1 1 61 61 PRO C C 13 173.175 0.300 . 1 . . . . 61 PRO C . 10262 1 659 . 1 1 61 61 PRO CA C 13 62.265 0.300 . 1 . . . . 61 PRO CA . 10262 1 660 . 1 1 61 61 PRO CB C 13 27.546 0.300 . 1 . . . . 61 PRO CB . 10262 1 661 . 1 1 61 61 PRO CD C 13 49.185 0.300 . 1 . . . . 61 PRO CD . 10262 1 662 . 1 1 61 61 PRO CG C 13 26.560 0.300 . 1 . . . . 61 PRO CG . 10262 1 663 . 1 1 62 62 GLU H H 1 7.879 0.030 . 1 . . . . 62 GLU H . 10262 1 664 . 1 1 62 62 GLU HA H 1 4.071 0.030 . 1 . . . . 62 GLU HA . 10262 1 665 . 1 1 62 62 GLU HB2 H 1 1.842 0.030 . 2 . . . . 62 GLU HB2 . 10262 1 666 . 1 1 62 62 GLU HB3 H 1 1.758 0.030 . 2 . . . . 62 GLU HB3 . 10262 1 667 . 1 1 62 62 GLU HG2 H 1 1.760 0.030 . 1 . . . . 62 GLU HG2 . 10262 1 668 . 1 1 62 62 GLU HG3 H 1 1.760 0.030 . 1 . . . . 62 GLU HG3 . 10262 1 669 . 1 1 62 62 GLU C C 13 174.107 0.300 . 1 . . . . 62 GLU C . 10262 1 670 . 1 1 62 62 GLU CA C 13 55.229 0.300 . 1 . . . . 62 GLU CA . 10262 1 671 . 1 1 62 62 GLU CB C 13 32.838 0.300 . 1 . . . . 62 GLU CB . 10262 1 672 . 1 1 62 62 GLU CG C 13 34.746 0.300 . 1 . . . . 62 GLU CG . 10262 1 673 . 1 1 62 62 GLU N N 15 118.173 0.300 . 1 . . . . 62 GLU N . 10262 1 674 . 1 1 63 63 VAL H H 1 8.930 0.030 . 1 . . . . 63 VAL H . 10262 1 675 . 1 1 63 63 VAL HA H 1 4.548 0.030 . 1 . . . . 63 VAL HA . 10262 1 676 . 1 1 63 63 VAL HB H 1 2.378 0.030 . 1 . . . . 63 VAL HB . 10262 1 677 . 1 1 63 63 VAL HG11 H 1 1.006 0.030 . 1 . . . . 63 VAL HG1 . 10262 1 678 . 1 1 63 63 VAL HG12 H 1 1.006 0.030 . 1 . . . . 63 VAL HG1 . 10262 1 679 . 1 1 63 63 VAL HG13 H 1 1.006 0.030 . 1 . . . . 63 VAL HG1 . 10262 1 680 . 1 1 63 63 VAL HG21 H 1 1.193 0.030 . 1 . . . . 63 VAL HG2 . 10262 1 681 . 1 1 63 63 VAL HG22 H 1 1.193 0.030 . 1 . . . . 63 VAL HG2 . 10262 1 682 . 1 1 63 63 VAL HG23 H 1 1.193 0.030 . 1 . . . . 63 VAL HG2 . 10262 1 683 . 1 1 63 63 VAL C C 13 170.325 0.300 . 1 . . . . 63 VAL C . 10262 1 684 . 1 1 63 63 VAL CA C 13 60.770 0.300 . 1 . . . . 63 VAL CA . 10262 1 685 . 1 1 63 63 VAL CB C 13 35.394 0.300 . 1 . . . . 63 VAL CB . 10262 1 686 . 1 1 63 63 VAL CG1 C 13 22.195 0.300 . 2 . . . . 63 VAL CG1 . 10262 1 687 . 1 1 63 63 VAL CG2 C 13 20.235 0.300 . 2 . . . . 63 VAL CG2 . 10262 1 688 . 1 1 63 63 VAL N N 15 117.161 0.300 . 1 . . . . 63 VAL N . 10262 1 689 . 1 1 64 64 LEU H H 1 8.332 0.030 . 1 . . . . 64 LEU H . 10262 1 690 . 1 1 64 64 LEU HA H 1 5.122 0.030 . 1 . . . . 64 LEU HA . 10262 1 691 . 1 1 64 64 LEU HB2 H 1 1.788 0.030 . 2 . . . . 64 LEU HB2 . 10262 1 692 . 1 1 64 64 LEU HB3 H 1 1.092 0.030 . 2 . . . . 64 LEU HB3 . 10262 1 693 . 1 1 64 64 LEU HD11 H 1 0.701 0.030 . 1 . . . . 64 LEU HD1 . 10262 1 694 . 1 1 64 64 LEU HD12 H 1 0.701 0.030 . 1 . . . . 64 LEU HD1 . 10262 1 695 . 1 1 64 64 LEU HD13 H 1 0.701 0.030 . 1 . . . . 64 LEU HD1 . 10262 1 696 . 1 1 64 64 LEU HD21 H 1 0.648 0.030 . 1 . . . . 64 LEU HD2 . 10262 1 697 . 1 1 64 64 LEU HD22 H 1 0.648 0.030 . 1 . . . . 64 LEU HD2 . 10262 1 698 . 1 1 64 64 LEU HD23 H 1 0.648 0.030 . 1 . . . . 64 LEU HD2 . 10262 1 699 . 1 1 64 64 LEU HG H 1 1.246 0.030 . 1 . . . . 64 LEU HG . 10262 1 700 . 1 1 64 64 LEU C C 13 176.243 0.300 . 1 . . . . 64 LEU C . 10262 1 701 . 1 1 64 64 LEU CA C 13 53.346 0.300 . 1 . . . . 64 LEU CA . 10262 1 702 . 1 1 64 64 LEU CB C 13 42.649 0.300 . 1 . . . . 64 LEU CB . 10262 1 703 . 1 1 64 64 LEU CD1 C 13 24.801 0.300 . 2 . . . . 64 LEU CD1 . 10262 1 704 . 1 1 64 64 LEU CD2 C 13 23.878 0.300 . 2 . . . . 64 LEU CD2 . 10262 1 705 . 1 1 64 64 LEU CG C 13 27.957 0.300 . 1 . . . . 64 LEU CG . 10262 1 706 . 1 1 64 64 LEU N N 15 130.510 0.300 . 1 . . . . 64 LEU N . 10262 1 707 . 1 1 65 65 LEU H H 1 9.261 0.030 . 1 . . . . 65 LEU H . 10262 1 708 . 1 1 65 65 LEU HA H 1 4.443 0.030 . 1 . . . . 65 LEU HA . 10262 1 709 . 1 1 65 65 LEU HB2 H 1 1.855 0.030 . 2 . . . . 65 LEU HB2 . 10262 1 710 . 1 1 65 65 LEU HB3 H 1 1.225 0.030 . 2 . . . . 65 LEU HB3 . 10262 1 711 . 1 1 65 65 LEU HD11 H 1 0.750 0.030 . 1 . . . . 65 LEU HD1 . 10262 1 712 . 1 1 65 65 LEU HD12 H 1 0.750 0.030 . 1 . . . . 65 LEU HD1 . 10262 1 713 . 1 1 65 65 LEU HD13 H 1 0.750 0.030 . 1 . . . . 65 LEU HD1 . 10262 1 714 . 1 1 65 65 LEU HD21 H 1 0.784 0.030 . 1 . . . . 65 LEU HD2 . 10262 1 715 . 1 1 65 65 LEU HD22 H 1 0.784 0.030 . 1 . . . . 65 LEU HD2 . 10262 1 716 . 1 1 65 65 LEU HD23 H 1 0.784 0.030 . 1 . . . . 65 LEU HD2 . 10262 1 717 . 1 1 65 65 LEU HG H 1 1.610 0.030 . 1 . . . . 65 LEU HG . 10262 1 718 . 1 1 65 65 LEU C C 13 174.016 0.300 . 1 . . . . 65 LEU C . 10262 1 719 . 1 1 65 65 LEU CA C 13 53.920 0.300 . 1 . . . . 65 LEU CA . 10262 1 720 . 1 1 65 65 LEU CB C 13 42.976 0.300 . 1 . . . . 65 LEU CB . 10262 1 721 . 1 1 65 65 LEU CD1 C 13 25.749 0.300 . 2 . . . . 65 LEU CD1 . 10262 1 722 . 1 1 65 65 LEU CD2 C 13 23.352 0.300 . 2 . . . . 65 LEU CD2 . 10262 1 723 . 1 1 65 65 LEU CG C 13 26.626 0.300 . 1 . . . . 65 LEU CG . 10262 1 724 . 1 1 65 65 LEU N N 15 128.611 0.300 . 1 . . . . 65 LEU N . 10262 1 725 . 1 1 66 66 ASP H H 1 8.105 0.030 . 1 . . . . 66 ASP H . 10262 1 726 . 1 1 66 66 ASP HA H 1 5.207 0.030 . 1 . . . . 66 ASP HA . 10262 1 727 . 1 1 66 66 ASP HB2 H 1 2.785 0.030 . 2 . . . . 66 ASP HB2 . 10262 1 728 . 1 1 66 66 ASP HB3 H 1 2.450 0.030 . 2 . . . . 66 ASP HB3 . 10262 1 729 . 1 1 66 66 ASP C C 13 176.161 0.300 . 1 . . . . 66 ASP C . 10262 1 730 . 1 1 66 66 ASP CA C 13 51.001 0.300 . 1 . . . . 66 ASP CA . 10262 1 731 . 1 1 66 66 ASP CB C 13 42.836 0.300 . 1 . . . . 66 ASP CB . 10262 1 732 . 1 1 66 66 ASP N N 15 121.799 0.300 . 1 . . . . 66 ASP N . 10262 1 733 . 1 1 67 67 GLY H H 1 8.688 0.030 . 1 . . . . 67 GLY H . 10262 1 734 . 1 1 67 67 GLY HA2 H 1 3.923 0.030 . 2 . . . . 67 GLY HA2 . 10262 1 735 . 1 1 67 67 GLY HA3 H 1 3.808 0.030 . 2 . . . . 67 GLY HA3 . 10262 1 736 . 1 1 67 67 GLY C C 13 175.500 0.300 . 1 . . . . 67 GLY C . 10262 1 737 . 1 1 67 67 GLY CA C 13 46.591 0.300 . 1 . . . . 67 GLY CA . 10262 1 738 . 1 1 67 67 GLY N N 15 106.518 0.300 . 1 . . . . 67 GLY N . 10262 1 739 . 1 1 68 68 LEU H H 1 8.125 0.030 . 1 . . . . 68 LEU H . 10262 1 740 . 1 1 68 68 LEU HA H 1 4.252 0.030 . 1 . . . . 68 LEU HA . 10262 1 741 . 1 1 68 68 LEU HB2 H 1 1.200 0.030 . 2 . . . . 68 LEU HB2 . 10262 1 742 . 1 1 68 68 LEU HB3 H 1 1.008 0.030 . 2 . . . . 68 LEU HB3 . 10262 1 743 . 1 1 68 68 LEU HD11 H 1 0.095 0.030 . 1 . . . . 68 LEU HD1 . 10262 1 744 . 1 1 68 68 LEU HD12 H 1 0.095 0.030 . 1 . . . . 68 LEU HD1 . 10262 1 745 . 1 1 68 68 LEU HD13 H 1 0.095 0.030 . 1 . . . . 68 LEU HD1 . 10262 1 746 . 1 1 68 68 LEU HD21 H 1 -0.076 0.030 . 1 . . . . 68 LEU HD2 . 10262 1 747 . 1 1 68 68 LEU HD22 H 1 -0.076 0.030 . 1 . . . . 68 LEU HD2 . 10262 1 748 . 1 1 68 68 LEU HD23 H 1 -0.076 0.030 . 1 . . . . 68 LEU HD2 . 10262 1 749 . 1 1 68 68 LEU HG H 1 0.985 0.030 . 1 . . . . 68 LEU HG . 10262 1 750 . 1 1 68 68 LEU C C 13 174.914 0.300 . 1 . . . . 68 LEU C . 10262 1 751 . 1 1 68 68 LEU CA C 13 53.469 0.300 . 1 . . . . 68 LEU CA . 10262 1 752 . 1 1 68 68 LEU CB C 13 40.422 0.300 . 1 . . . . 68 LEU CB . 10262 1 753 . 1 1 68 68 LEU CD1 C 13 26.017 0.300 . 2 . . . . 68 LEU CD1 . 10262 1 754 . 1 1 68 68 LEU CD2 C 13 20.294 0.300 . 2 . . . . 68 LEU CD2 . 10262 1 755 . 1 1 68 68 LEU CG C 13 26.324 0.300 . 1 . . . . 68 LEU CG . 10262 1 756 . 1 1 68 68 LEU N N 15 119.345 0.300 . 1 . . . . 68 LEU N . 10262 1 757 . 1 1 69 69 GLU H H 1 8.207 0.030 . 1 . . . . 69 GLU H . 10262 1 758 . 1 1 69 69 GLU HA H 1 4.908 0.030 . 1 . . . . 69 GLU HA . 10262 1 759 . 1 1 69 69 GLU HB2 H 1 2.006 0.030 . 2 . . . . 69 GLU HB2 . 10262 1 760 . 1 1 69 69 GLU HB3 H 1 1.814 0.030 . 2 . . . . 69 GLU HB3 . 10262 1 761 . 1 1 69 69 GLU HG2 H 1 2.313 0.030 . 2 . . . . 69 GLU HG2 . 10262 1 762 . 1 1 69 69 GLU HG3 H 1 2.281 0.030 . 2 . . . . 69 GLU HG3 . 10262 1 763 . 1 1 69 69 GLU C C 13 174.464 0.300 . 1 . . . . 69 GLU C . 10262 1 764 . 1 1 69 69 GLU CA C 13 53.081 0.300 . 1 . . . . 69 GLU CA . 10262 1 765 . 1 1 69 69 GLU CB C 13 31.538 0.300 . 1 . . . . 69 GLU CB . 10262 1 766 . 1 1 69 69 GLU CG C 13 35.793 0.300 . 1 . . . . 69 GLU CG . 10262 1 767 . 1 1 69 69 GLU N N 15 119.486 0.300 . 1 . . . . 69 GLU N . 10262 1 768 . 1 1 70 70 PRO HA H 1 4.866 0.030 . 1 . . . . 70 PRO HA . 10262 1 769 . 1 1 70 70 PRO HB2 H 1 2.638 0.030 . 2 . . . . 70 PRO HB2 . 10262 1 770 . 1 1 70 70 PRO HB3 H 1 1.917 0.030 . 2 . . . . 70 PRO HB3 . 10262 1 771 . 1 1 70 70 PRO HD2 H 1 3.828 0.030 . 2 . . . . 70 PRO HD2 . 10262 1 772 . 1 1 70 70 PRO HD3 H 1 3.690 0.030 . 2 . . . . 70 PRO HD3 . 10262 1 773 . 1 1 70 70 PRO HG2 H 1 2.036 0.030 . 2 . . . . 70 PRO HG2 . 10262 1 774 . 1 1 70 70 PRO HG3 H 1 1.786 0.030 . 2 . . . . 70 PRO HG3 . 10262 1 775 . 1 1 70 70 PRO C C 13 178.285 0.300 . 1 . . . . 70 PRO C . 10262 1 776 . 1 1 70 70 PRO CA C 13 63.203 0.300 . 1 . . . . 70 PRO CA . 10262 1 777 . 1 1 70 70 PRO CB C 13 33.726 0.300 . 1 . . . . 70 PRO CB . 10262 1 778 . 1 1 70 70 PRO CD C 13 51.470 0.300 . 1 . . . . 70 PRO CD . 10262 1 779 . 1 1 70 70 PRO CG C 13 27.397 0.300 . 1 . . . . 70 PRO CG . 10262 1 780 . 1 1 71 71 GLY H H 1 7.362 0.030 . 1 . . . . 71 GLY H . 10262 1 781 . 1 1 71 71 GLY HA2 H 1 3.807 0.030 . 2 . . . . 71 GLY HA2 . 10262 1 782 . 1 1 71 71 GLY HA3 H 1 3.756 0.030 . 2 . . . . 71 GLY HA3 . 10262 1 783 . 1 1 71 71 GLY C C 13 174.664 0.300 . 1 . . . . 71 GLY C . 10262 1 784 . 1 1 71 71 GLY CA C 13 46.926 0.300 . 1 . . . . 71 GLY CA . 10262 1 785 . 1 1 71 71 GLY N N 15 113.776 0.300 . 1 . . . . 71 GLY N . 10262 1 786 . 1 1 72 72 ARG H H 1 8.036 0.030 . 1 . . . . 72 ARG H . 10262 1 787 . 1 1 72 72 ARG HA H 1 4.597 0.030 . 1 . . . . 72 ARG HA . 10262 1 788 . 1 1 72 72 ARG HB2 H 1 1.621 0.030 . 2 . . . . 72 ARG HB2 . 10262 1 789 . 1 1 72 72 ARG HB3 H 1 1.559 0.030 . 2 . . . . 72 ARG HB3 . 10262 1 790 . 1 1 72 72 ARG HD2 H 1 3.082 0.030 . 2 . . . . 72 ARG HD2 . 10262 1 791 . 1 1 72 72 ARG HG2 H 1 1.506 0.030 . 2 . . . . 72 ARG HG2 . 10262 1 792 . 1 1 72 72 ARG HG3 H 1 1.296 0.030 . 2 . . . . 72 ARG HG3 . 10262 1 793 . 1 1 72 72 ARG C C 13 173.293 0.300 . 1 . . . . 72 ARG C . 10262 1 794 . 1 1 72 72 ARG CA C 13 54.633 0.300 . 1 . . . . 72 ARG CA . 10262 1 795 . 1 1 72 72 ARG CB C 13 33.704 0.300 . 1 . . . . 72 ARG CB . 10262 1 796 . 1 1 72 72 ARG CD C 13 43.206 0.300 . 1 . . . . 72 ARG CD . 10262 1 797 . 1 1 72 72 ARG CG C 13 26.963 0.300 . 1 . . . . 72 ARG CG . 10262 1 798 . 1 1 72 72 ARG N N 15 119.611 0.300 . 1 . . . . 72 ARG N . 10262 1 799 . 1 1 73 73 ASP H H 1 7.785 0.030 . 1 . . . . 73 ASP H . 10262 1 800 . 1 1 73 73 ASP HA H 1 5.276 0.030 . 1 . . . . 73 ASP HA . 10262 1 801 . 1 1 73 73 ASP HB2 H 1 2.412 0.030 . 2 . . . . 73 ASP HB2 . 10262 1 802 . 1 1 73 73 ASP HB3 H 1 2.307 0.030 . 2 . . . . 73 ASP HB3 . 10262 1 803 . 1 1 73 73 ASP C C 13 175.904 0.300 . 1 . . . . 73 ASP C . 10262 1 804 . 1 1 73 73 ASP CA C 13 53.568 0.300 . 1 . . . . 73 ASP CA . 10262 1 805 . 1 1 73 73 ASP CB C 13 42.970 0.300 . 1 . . . . 73 ASP CB . 10262 1 806 . 1 1 73 73 ASP N N 15 118.900 0.300 . 1 . . . . 73 ASP N . 10262 1 807 . 1 1 74 74 TYR H H 1 9.516 0.030 . 1 . . . . 74 TYR H . 10262 1 808 . 1 1 74 74 TYR HA H 1 4.800 0.030 . 1 . . . . 74 TYR HA . 10262 1 809 . 1 1 74 74 TYR HB2 H 1 2.841 0.030 . 2 . . . . 74 TYR HB2 . 10262 1 810 . 1 1 74 74 TYR HB3 H 1 2.536 0.030 . 2 . . . . 74 TYR HB3 . 10262 1 811 . 1 1 74 74 TYR HD1 H 1 6.811 0.030 . 1 . . . . 74 TYR HD1 . 10262 1 812 . 1 1 74 74 TYR HD2 H 1 6.811 0.030 . 1 . . . . 74 TYR HD2 . 10262 1 813 . 1 1 74 74 TYR HE1 H 1 6.812 0.030 . 1 . . . . 74 TYR HE1 . 10262 1 814 . 1 1 74 74 TYR HE2 H 1 6.812 0.030 . 1 . . . . 74 TYR HE2 . 10262 1 815 . 1 1 74 74 TYR C C 13 174.631 0.300 . 1 . . . . 74 TYR C . 10262 1 816 . 1 1 74 74 TYR CA C 13 58.548 0.300 . 1 . . . . 74 TYR CA . 10262 1 817 . 1 1 74 74 TYR CB C 13 42.029 0.300 . 1 . . . . 74 TYR CB . 10262 1 818 . 1 1 74 74 TYR CD1 C 13 132.873 0.300 . 1 . . . . 74 TYR CD1 . 10262 1 819 . 1 1 74 74 TYR CD2 C 13 132.873 0.300 . 1 . . . . 74 TYR CD2 . 10262 1 820 . 1 1 74 74 TYR CE1 C 13 118.547 0.300 . 1 . . . . 74 TYR CE1 . 10262 1 821 . 1 1 74 74 TYR CE2 C 13 118.547 0.300 . 1 . . . . 74 TYR CE2 . 10262 1 822 . 1 1 74 74 TYR N N 15 121.903 0.300 . 1 . . . . 74 TYR N . 10262 1 823 . 1 1 75 75 GLU H H 1 9.248 0.030 . 1 . . . . 75 GLU H . 10262 1 824 . 1 1 75 75 GLU HA H 1 4.756 0.030 . 1 . . . . 75 GLU HA . 10262 1 825 . 1 1 75 75 GLU HB2 H 1 2.012 0.030 . 2 . . . . 75 GLU HB2 . 10262 1 826 . 1 1 75 75 GLU HB3 H 1 1.860 0.030 . 2 . . . . 75 GLU HB3 . 10262 1 827 . 1 1 75 75 GLU HG2 H 1 2.155 0.030 . 2 . . . . 75 GLU HG2 . 10262 1 828 . 1 1 75 75 GLU HG3 H 1 2.048 0.030 . 2 . . . . 75 GLU HG3 . 10262 1 829 . 1 1 75 75 GLU C C 13 175.524 0.300 . 1 . . . . 75 GLU C . 10262 1 830 . 1 1 75 75 GLU CA C 13 55.621 0.300 . 1 . . . . 75 GLU CA . 10262 1 831 . 1 1 75 75 GLU CB C 13 30.778 0.300 . 1 . . . . 75 GLU CB . 10262 1 832 . 1 1 75 75 GLU CG C 13 35.726 0.300 . 1 . . . . 75 GLU CG . 10262 1 833 . 1 1 75 75 GLU N N 15 122.425 0.300 . 1 . . . . 75 GLU N . 10262 1 834 . 1 1 76 76 VAL H H 1 8.884 0.030 . 1 . . . . 76 VAL H . 10262 1 835 . 1 1 76 76 VAL HA H 1 5.246 0.030 . 1 . . . . 76 VAL HA . 10262 1 836 . 1 1 76 76 VAL HB H 1 1.912 0.030 . 1 . . . . 76 VAL HB . 10262 1 837 . 1 1 76 76 VAL HG11 H 1 0.727 0.030 . 1 . . . . 76 VAL HG1 . 10262 1 838 . 1 1 76 76 VAL HG12 H 1 0.727 0.030 . 1 . . . . 76 VAL HG1 . 10262 1 839 . 1 1 76 76 VAL HG13 H 1 0.727 0.030 . 1 . . . . 76 VAL HG1 . 10262 1 840 . 1 1 76 76 VAL HG21 H 1 0.764 0.030 . 1 . . . . 76 VAL HG2 . 10262 1 841 . 1 1 76 76 VAL HG22 H 1 0.764 0.030 . 1 . . . . 76 VAL HG2 . 10262 1 842 . 1 1 76 76 VAL HG23 H 1 0.764 0.030 . 1 . . . . 76 VAL HG2 . 10262 1 843 . 1 1 76 76 VAL C C 13 174.800 0.300 . 1 . . . . 76 VAL C . 10262 1 844 . 1 1 76 76 VAL CA C 13 60.199 0.300 . 1 . . . . 76 VAL CA . 10262 1 845 . 1 1 76 76 VAL CB C 13 33.449 0.300 . 1 . . . . 76 VAL CB . 10262 1 846 . 1 1 76 76 VAL CG1 C 13 22.797 0.300 . 2 . . . . 76 VAL CG1 . 10262 1 847 . 1 1 76 76 VAL CG2 C 13 20.891 0.300 . 2 . . . . 76 VAL CG2 . 10262 1 848 . 1 1 76 76 VAL N N 15 126.853 0.300 . 1 . . . . 76 VAL N . 10262 1 849 . 1 1 77 77 SER H H 1 9.234 0.030 . 1 . . . . 77 SER H . 10262 1 850 . 1 1 77 77 SER HA H 1 5.398 0.030 . 1 . . . . 77 SER HA . 10262 1 851 . 1 1 77 77 SER HB2 H 1 3.631 0.030 . 2 . . . . 77 SER HB2 . 10262 1 852 . 1 1 77 77 SER HB3 H 1 3.569 0.030 . 2 . . . . 77 SER HB3 . 10262 1 853 . 1 1 77 77 SER C C 13 173.138 0.300 . 1 . . . . 77 SER C . 10262 1 854 . 1 1 77 77 SER CA C 13 56.032 0.300 . 1 . . . . 77 SER CA . 10262 1 855 . 1 1 77 77 SER CB C 13 66.374 0.300 . 1 . . . . 77 SER CB . 10262 1 856 . 1 1 77 77 SER N N 15 120.852 0.300 . 1 . . . . 77 SER N . 10262 1 857 . 1 1 78 78 VAL H H 1 9.092 0.030 . 1 . . . . 78 VAL H . 10262 1 858 . 1 1 78 78 VAL HA H 1 4.756 0.030 . 1 . . . . 78 VAL HA . 10262 1 859 . 1 1 78 78 VAL HB H 1 1.050 0.030 . 1 . . . . 78 VAL HB . 10262 1 860 . 1 1 78 78 VAL HG11 H 1 0.099 0.030 . 1 . . . . 78 VAL HG1 . 10262 1 861 . 1 1 78 78 VAL HG12 H 1 0.099 0.030 . 1 . . . . 78 VAL HG1 . 10262 1 862 . 1 1 78 78 VAL HG13 H 1 0.099 0.030 . 1 . . . . 78 VAL HG1 . 10262 1 863 . 1 1 78 78 VAL HG21 H 1 -0.460 0.030 . 1 . . . . 78 VAL HG2 . 10262 1 864 . 1 1 78 78 VAL HG22 H 1 -0.460 0.030 . 1 . . . . 78 VAL HG2 . 10262 1 865 . 1 1 78 78 VAL HG23 H 1 -0.460 0.030 . 1 . . . . 78 VAL HG2 . 10262 1 866 . 1 1 78 78 VAL C C 13 173.641 0.300 . 1 . . . . 78 VAL C . 10262 1 867 . 1 1 78 78 VAL CA C 13 61.246 0.300 . 1 . . . . 78 VAL CA . 10262 1 868 . 1 1 78 78 VAL CB C 13 34.467 0.300 . 1 . . . . 78 VAL CB . 10262 1 869 . 1 1 78 78 VAL CG1 C 13 21.281 0.300 . 2 . . . . 78 VAL CG1 . 10262 1 870 . 1 1 78 78 VAL CG2 C 13 20.400 0.300 . 2 . . . . 78 VAL CG2 . 10262 1 871 . 1 1 78 78 VAL N N 15 122.453 0.300 . 1 . . . . 78 VAL N . 10262 1 872 . 1 1 79 79 GLN H H 1 8.587 0.030 . 1 . . . . 79 GLN H . 10262 1 873 . 1 1 79 79 GLN HA H 1 4.438 0.030 . 1 . . . . 79 GLN HA . 10262 1 874 . 1 1 79 79 GLN HB2 H 1 2.058 0.030 . 2 . . . . 79 GLN HB2 . 10262 1 875 . 1 1 79 79 GLN HB3 H 1 1.702 0.030 . 2 . . . . 79 GLN HB3 . 10262 1 876 . 1 1 79 79 GLN HE21 H 1 7.857 0.030 . 2 . . . . 79 GLN HE21 . 10262 1 877 . 1 1 79 79 GLN HE22 H 1 6.790 0.030 . 2 . . . . 79 GLN HE22 . 10262 1 878 . 1 1 79 79 GLN HG2 H 1 2.273 0.030 . 2 . . . . 79 GLN HG2 . 10262 1 879 . 1 1 79 79 GLN HG3 H 1 2.195 0.030 . 2 . . . . 79 GLN HG3 . 10262 1 880 . 1 1 79 79 GLN C C 13 174.999 0.300 . 1 . . . . 79 GLN C . 10262 1 881 . 1 1 79 79 GLN CA C 13 54.227 0.300 . 1 . . . . 79 GLN CA . 10262 1 882 . 1 1 79 79 GLN CB C 13 33.587 0.300 . 1 . . . . 79 GLN CB . 10262 1 883 . 1 1 79 79 GLN CG C 13 33.753 0.300 . 1 . . . . 79 GLN CG . 10262 1 884 . 1 1 79 79 GLN N N 15 125.619 0.300 . 1 . . . . 79 GLN N . 10262 1 885 . 1 1 79 79 GLN NE2 N 15 109.989 0.300 . 1 . . . . 79 GLN NE2 . 10262 1 886 . 1 1 80 80 SER H H 1 8.623 0.030 . 1 . . . . 80 SER H . 10262 1 887 . 1 1 80 80 SER HA H 1 4.756 0.030 . 1 . . . . 80 SER HA . 10262 1 888 . 1 1 80 80 SER HB2 H 1 3.723 0.030 . 2 . . . . 80 SER HB2 . 10262 1 889 . 1 1 80 80 SER HB3 H 1 3.652 0.030 . 2 . . . . 80 SER HB3 . 10262 1 890 . 1 1 80 80 SER C C 13 172.264 0.300 . 1 . . . . 80 SER C . 10262 1 891 . 1 1 80 80 SER CA C 13 58.177 0.300 . 1 . . . . 80 SER CA . 10262 1 892 . 1 1 80 80 SER CB C 13 63.920 0.300 . 1 . . . . 80 SER CB . 10262 1 893 . 1 1 80 80 SER N N 15 122.844 0.300 . 1 . . . . 80 SER N . 10262 1 894 . 1 1 81 81 LEU H H 1 8.348 0.030 . 1 . . . . 81 LEU H . 10262 1 895 . 1 1 81 81 LEU HA H 1 5.124 0.030 . 1 . . . . 81 LEU HA . 10262 1 896 . 1 1 81 81 LEU HB2 H 1 1.265 0.030 . 2 . . . . 81 LEU HB2 . 10262 1 897 . 1 1 81 81 LEU HB3 H 1 0.603 0.030 . 2 . . . . 81 LEU HB3 . 10262 1 898 . 1 1 81 81 LEU HD11 H 1 0.634 0.030 . 1 . . . . 81 LEU HD1 . 10262 1 899 . 1 1 81 81 LEU HD12 H 1 0.634 0.030 . 1 . . . . 81 LEU HD1 . 10262 1 900 . 1 1 81 81 LEU HD13 H 1 0.634 0.030 . 1 . . . . 81 LEU HD1 . 10262 1 901 . 1 1 81 81 LEU HD21 H 1 0.676 0.030 . 1 . . . . 81 LEU HD2 . 10262 1 902 . 1 1 81 81 LEU HD22 H 1 0.676 0.030 . 1 . . . . 81 LEU HD2 . 10262 1 903 . 1 1 81 81 LEU HD23 H 1 0.676 0.030 . 1 . . . . 81 LEU HD2 . 10262 1 904 . 1 1 81 81 LEU HG H 1 1.325 0.030 . 1 . . . . 81 LEU HG . 10262 1 905 . 1 1 81 81 LEU C C 13 175.775 0.300 . 1 . . . . 81 LEU C . 10262 1 906 . 1 1 81 81 LEU CA C 13 54.033 0.300 . 1 . . . . 81 LEU CA . 10262 1 907 . 1 1 81 81 LEU CB C 13 44.690 0.300 . 1 . . . . 81 LEU CB . 10262 1 908 . 1 1 81 81 LEU CD1 C 13 26.242 0.300 . 2 . . . . 81 LEU CD1 . 10262 1 909 . 1 1 81 81 LEU CD2 C 13 23.555 0.300 . 2 . . . . 81 LEU CD2 . 10262 1 910 . 1 1 81 81 LEU CG C 13 27.327 0.300 . 1 . . . . 81 LEU CG . 10262 1 911 . 1 1 81 81 LEU N N 15 123.191 0.300 . 1 . . . . 81 LEU N . 10262 1 912 . 1 1 82 82 ARG H H 1 8.374 0.030 . 1 . . . . 82 ARG H . 10262 1 913 . 1 1 82 82 ARG HA H 1 4.616 0.030 . 1 . . . . 82 ARG HA . 10262 1 914 . 1 1 82 82 ARG HB2 H 1 1.807 0.030 . 2 . . . . 82 ARG HB2 . 10262 1 915 . 1 1 82 82 ARG HB3 H 1 1.710 0.030 . 2 . . . . 82 ARG HB3 . 10262 1 916 . 1 1 82 82 ARG HD2 H 1 3.267 0.030 . 2 . . . . 82 ARG HD2 . 10262 1 917 . 1 1 82 82 ARG HG2 H 1 1.724 0.030 . 2 . . . . 82 ARG HG2 . 10262 1 918 . 1 1 82 82 ARG HG3 H 1 1.451 0.030 . 2 . . . . 82 ARG HG3 . 10262 1 919 . 1 1 82 82 ARG C C 13 176.864 0.300 . 1 . . . . 82 ARG C . 10262 1 920 . 1 1 82 82 ARG CA C 13 55.868 0.300 . 1 . . . . 82 ARG CA . 10262 1 921 . 1 1 82 82 ARG CB C 13 32.322 0.300 . 1 . . . . 82 ARG CB . 10262 1 922 . 1 1 82 82 ARG CD C 13 43.402 0.300 . 1 . . . . 82 ARG CD . 10262 1 923 . 1 1 82 82 ARG CG C 13 26.720 0.300 . 1 . . . . 82 ARG CG . 10262 1 924 . 1 1 82 82 ARG N N 15 121.029 0.300 . 1 . . . . 82 ARG N . 10262 1 925 . 1 1 83 83 GLY H H 1 8.309 0.030 . 1 . . . . 83 GLY H . 10262 1 926 . 1 1 83 83 GLY HA2 H 1 4.031 0.030 . 2 . . . . 83 GLY HA2 . 10262 1 927 . 1 1 83 83 GLY HA3 H 1 3.888 0.030 . 2 . . . . 83 GLY HA3 . 10262 1 928 . 1 1 83 83 GLY C C 13 174.562 0.300 . 1 . . . . 83 GLY C . 10262 1 929 . 1 1 83 83 GLY CA C 13 45.963 0.300 . 1 . . . . 83 GLY CA . 10262 1 930 . 1 1 83 83 GLY N N 15 109.937 0.300 . 1 . . . . 83 GLY N . 10262 1 931 . 1 1 84 84 PRO HA H 1 4.573 0.030 . 1 . . . . 84 PRO HA . 10262 1 932 . 1 1 84 84 PRO HB2 H 1 2.207 0.030 . 2 . . . . 84 PRO HB2 . 10262 1 933 . 1 1 84 84 PRO HB3 H 1 2.101 0.030 . 2 . . . . 84 PRO HB3 . 10262 1 934 . 1 1 84 84 PRO HD2 H 1 4.052 0.030 . 2 . . . . 84 PRO HD2 . 10262 1 935 . 1 1 84 84 PRO HD3 H 1 3.741 0.030 . 2 . . . . 84 PRO HD3 . 10262 1 936 . 1 1 84 84 PRO HG2 H 1 2.080 0.030 . 2 . . . . 84 PRO HG2 . 10262 1 937 . 1 1 84 84 PRO HG3 H 1 1.959 0.030 . 2 . . . . 84 PRO HG3 . 10262 1 938 . 1 1 84 84 PRO C C 13 176.533 0.300 . 1 . . . . 84 PRO C . 10262 1 939 . 1 1 84 84 PRO CA C 13 63.485 0.300 . 1 . . . . 84 PRO CA . 10262 1 940 . 1 1 84 84 PRO CB C 13 32.409 0.300 . 1 . . . . 84 PRO CB . 10262 1 941 . 1 1 84 84 PRO CD C 13 50.434 0.300 . 1 . . . . 84 PRO CD . 10262 1 942 . 1 1 84 84 PRO CG C 13 26.226 0.300 . 1 . . . . 84 PRO CG . 10262 1 943 . 1 1 85 85 GLU H H 1 7.799 0.030 . 1 . . . . 85 GLU H . 10262 1 944 . 1 1 85 85 GLU HA H 1 4.369 0.030 . 1 . . . . 85 GLU HA . 10262 1 945 . 1 1 85 85 GLU HB2 H 1 2.101 0.030 . 1 . . . . 85 GLU HB2 . 10262 1 946 . 1 1 85 85 GLU HB3 H 1 2.101 0.030 . 1 . . . . 85 GLU HB3 . 10262 1 947 . 1 1 85 85 GLU HG2 H 1 2.296 0.030 . 2 . . . . 85 GLU HG2 . 10262 1 948 . 1 1 85 85 GLU HG3 H 1 2.134 0.030 . 2 . . . . 85 GLU HG3 . 10262 1 949 . 1 1 85 85 GLU C C 13 174.722 0.300 . 1 . . . . 85 GLU C . 10262 1 950 . 1 1 85 85 GLU CA C 13 55.899 0.300 . 1 . . . . 85 GLU CA . 10262 1 951 . 1 1 85 85 GLU CB C 13 31.911 0.300 . 1 . . . . 85 GLU CB . 10262 1 952 . 1 1 85 85 GLU CG C 13 36.597 0.300 . 1 . . . . 85 GLU CG . 10262 1 953 . 1 1 85 85 GLU N N 15 122.093 0.300 . 1 . . . . 85 GLU N . 10262 1 954 . 1 1 86 86 GLY H H 1 8.329 0.030 . 1 . . . . 86 GLY H . 10262 1 955 . 1 1 86 86 GLY HA2 H 1 5.298 0.030 . 2 . . . . 86 GLY HA2 . 10262 1 956 . 1 1 86 86 GLY HA3 H 1 3.559 0.030 . 2 . . . . 86 GLY HA3 . 10262 1 957 . 1 1 86 86 GLY C C 13 174.355 0.300 . 1 . . . . 86 GLY C . 10262 1 958 . 1 1 86 86 GLY CA C 13 44.034 0.300 . 1 . . . . 86 GLY CA . 10262 1 959 . 1 1 86 86 GLY N N 15 109.387 0.300 . 1 . . . . 86 GLY N . 10262 1 960 . 1 1 87 87 SER H H 1 8.807 0.030 . 1 . . . . 87 SER H . 10262 1 961 . 1 1 87 87 SER HA H 1 4.670 0.030 . 1 . . . . 87 SER HA . 10262 1 962 . 1 1 87 87 SER HB2 H 1 4.175 0.030 . 2 . . . . 87 SER HB2 . 10262 1 963 . 1 1 87 87 SER HB3 H 1 3.551 0.030 . 2 . . . . 87 SER HB3 . 10262 1 964 . 1 1 87 87 SER C C 13 175.195 0.300 . 1 . . . . 87 SER C . 10262 1 965 . 1 1 87 87 SER CA C 13 57.737 0.300 . 1 . . . . 87 SER CA . 10262 1 966 . 1 1 87 87 SER CB C 13 67.829 0.300 . 1 . . . . 87 SER CB . 10262 1 967 . 1 1 87 87 SER N N 15 117.698 0.300 . 1 . . . . 87 SER N . 10262 1 968 . 1 1 88 88 GLU H H 1 8.754 0.030 . 1 . . . . 88 GLU H . 10262 1 969 . 1 1 88 88 GLU HA H 1 4.357 0.030 . 1 . . . . 88 GLU HA . 10262 1 970 . 1 1 88 88 GLU HB2 H 1 2.090 0.030 . 2 . . . . 88 GLU HB2 . 10262 1 971 . 1 1 88 88 GLU HB3 H 1 1.918 0.030 . 2 . . . . 88 GLU HB3 . 10262 1 972 . 1 1 88 88 GLU HG2 H 1 2.413 0.030 . 1 . . . . 88 GLU HG2 . 10262 1 973 . 1 1 88 88 GLU HG3 H 1 2.413 0.030 . 1 . . . . 88 GLU HG3 . 10262 1 974 . 1 1 88 88 GLU C C 13 177.474 0.300 . 1 . . . . 88 GLU C . 10262 1 975 . 1 1 88 88 GLU CA C 13 57.525 0.300 . 1 . . . . 88 GLU CA . 10262 1 976 . 1 1 88 88 GLU CB C 13 31.162 0.300 . 1 . . . . 88 GLU CB . 10262 1 977 . 1 1 88 88 GLU CG C 13 36.611 0.300 . 1 . . . . 88 GLU CG . 10262 1 978 . 1 1 88 88 GLU N N 15 118.709 0.300 . 1 . . . . 88 GLU N . 10262 1 979 . 1 1 89 89 ALA H H 1 8.855 0.030 . 1 . . . . 89 ALA H . 10262 1 980 . 1 1 89 89 ALA HA H 1 4.792 0.030 . 1 . . . . 89 ALA HA . 10262 1 981 . 1 1 89 89 ALA HB1 H 1 1.212 0.030 . 1 . . . . 89 ALA HB . 10262 1 982 . 1 1 89 89 ALA HB2 H 1 1.212 0.030 . 1 . . . . 89 ALA HB . 10262 1 983 . 1 1 89 89 ALA HB3 H 1 1.212 0.030 . 1 . . . . 89 ALA HB . 10262 1 984 . 1 1 89 89 ALA C C 13 178.379 0.300 . 1 . . . . 89 ALA C . 10262 1 985 . 1 1 89 89 ALA CA C 13 51.264 0.300 . 1 . . . . 89 ALA CA . 10262 1 986 . 1 1 89 89 ALA CB C 13 20.040 0.300 . 1 . . . . 89 ALA CB . 10262 1 987 . 1 1 89 89 ALA N N 15 127.301 0.300 . 1 . . . . 89 ALA N . 10262 1 988 . 1 1 90 90 ARG H H 1 8.549 0.030 . 1 . . . . 90 ARG H . 10262 1 989 . 1 1 90 90 ARG HA H 1 4.658 0.030 . 1 . . . . 90 ARG HA . 10262 1 990 . 1 1 90 90 ARG HB2 H 1 1.815 0.030 . 2 . . . . 90 ARG HB2 . 10262 1 991 . 1 1 90 90 ARG HB3 H 1 1.469 0.030 . 2 . . . . 90 ARG HB3 . 10262 1 992 . 1 1 90 90 ARG HD2 H 1 3.475 0.030 . 2 . . . . 90 ARG HD2 . 10262 1 993 . 1 1 90 90 ARG HD3 H 1 3.234 0.030 . 2 . . . . 90 ARG HD3 . 10262 1 994 . 1 1 90 90 ARG HG2 H 1 1.501 0.030 . 2 . . . . 90 ARG HG2 . 10262 1 995 . 1 1 90 90 ARG HG3 H 1 1.372 0.030 . 2 . . . . 90 ARG HG3 . 10262 1 996 . 1 1 90 90 ARG C C 13 174.720 0.300 . 1 . . . . 90 ARG C . 10262 1 997 . 1 1 90 90 ARG CA C 13 53.575 0.300 . 1 . . . . 90 ARG CA . 10262 1 998 . 1 1 90 90 ARG CB C 13 33.456 0.300 . 1 . . . . 90 ARG CB . 10262 1 999 . 1 1 90 90 ARG CD C 13 42.876 0.300 . 1 . . . . 90 ARG CD . 10262 1 1000 . 1 1 90 90 ARG CG C 13 27.019 0.300 . 1 . . . . 90 ARG CG . 10262 1 1001 . 1 1 90 90 ARG N N 15 121.289 0.300 . 1 . . . . 90 ARG N . 10262 1 1002 . 1 1 91 91 GLY H H 1 8.396 0.030 . 1 . . . . 91 GLY H . 10262 1 1003 . 1 1 91 91 GLY HA2 H 1 5.306 0.030 . 2 . . . . 91 GLY HA2 . 10262 1 1004 . 1 1 91 91 GLY HA3 H 1 3.700 0.030 . 2 . . . . 91 GLY HA3 . 10262 1 1005 . 1 1 91 91 GLY C C 13 173.191 0.300 . 1 . . . . 91 GLY C . 10262 1 1006 . 1 1 91 91 GLY CA C 13 44.493 0.300 . 1 . . . . 91 GLY CA . 10262 1 1007 . 1 1 91 91 GLY N N 15 108.579 0.300 . 1 . . . . 91 GLY N . 10262 1 1008 . 1 1 92 92 ILE H H 1 8.891 0.030 . 1 . . . . 92 ILE H . 10262 1 1009 . 1 1 92 92 ILE HA H 1 4.499 0.030 . 1 . . . . 92 ILE HA . 10262 1 1010 . 1 1 92 92 ILE HB H 1 1.725 0.030 . 1 . . . . 92 ILE HB . 10262 1 1011 . 1 1 92 92 ILE HD11 H 1 0.799 0.030 . 1 . . . . 92 ILE HD1 . 10262 1 1012 . 1 1 92 92 ILE HD12 H 1 0.799 0.030 . 1 . . . . 92 ILE HD1 . 10262 1 1013 . 1 1 92 92 ILE HD13 H 1 0.799 0.030 . 1 . . . . 92 ILE HD1 . 10262 1 1014 . 1 1 92 92 ILE HG12 H 1 1.643 0.030 . 2 . . . . 92 ILE HG12 . 10262 1 1015 . 1 1 92 92 ILE HG13 H 1 1.130 0.030 . 2 . . . . 92 ILE HG13 . 10262 1 1016 . 1 1 92 92 ILE HG21 H 1 0.732 0.030 . 1 . . . . 92 ILE HG2 . 10262 1 1017 . 1 1 92 92 ILE HG22 H 1 0.732 0.030 . 1 . . . . 92 ILE HG2 . 10262 1 1018 . 1 1 92 92 ILE HG23 H 1 0.732 0.030 . 1 . . . . 92 ILE HG2 . 10262 1 1019 . 1 1 92 92 ILE C C 13 171.877 0.300 . 1 . . . . 92 ILE C . 10262 1 1020 . 1 1 92 92 ILE CA C 13 60.682 0.300 . 1 . . . . 92 ILE CA . 10262 1 1021 . 1 1 92 92 ILE CB C 13 42.425 0.300 . 1 . . . . 92 ILE CB . 10262 1 1022 . 1 1 92 92 ILE CD1 C 13 14.883 0.300 . 1 . . . . 92 ILE CD1 . 10262 1 1023 . 1 1 92 92 ILE CG1 C 13 28.519 0.300 . 1 . . . . 92 ILE CG1 . 10262 1 1024 . 1 1 92 92 ILE CG2 C 13 16.848 0.300 . 1 . . . . 92 ILE CG2 . 10262 1 1025 . 1 1 92 92 ILE N N 15 118.313 0.300 . 1 . . . . 92 ILE N . 10262 1 1026 . 1 1 93 93 ARG H H 1 7.980 0.030 . 1 . . . . 93 ARG H . 10262 1 1027 . 1 1 93 93 ARG HA H 1 5.224 0.030 . 1 . . . . 93 ARG HA . 10262 1 1028 . 1 1 93 93 ARG HB2 H 1 1.807 0.030 . 2 . . . . 93 ARG HB2 . 10262 1 1029 . 1 1 93 93 ARG HB3 H 1 1.756 0.030 . 2 . . . . 93 ARG HB3 . 10262 1 1030 . 1 1 93 93 ARG HD2 H 1 3.156 0.030 . 1 . . . . 93 ARG HD2 . 10262 1 1031 . 1 1 93 93 ARG HD3 H 1 3.156 0.030 . 1 . . . . 93 ARG HD3 . 10262 1 1032 . 1 1 93 93 ARG HG2 H 1 1.529 0.030 . 1 . . . . 93 ARG HG2 . 10262 1 1033 . 1 1 93 93 ARG HG3 H 1 1.529 0.030 . 1 . . . . 93 ARG HG3 . 10262 1 1034 . 1 1 93 93 ARG C C 13 175.072 0.300 . 1 . . . . 93 ARG C . 10262 1 1035 . 1 1 93 93 ARG CA C 13 54.499 0.300 . 1 . . . . 93 ARG CA . 10262 1 1036 . 1 1 93 93 ARG CB C 13 31.767 0.300 . 1 . . . . 93 ARG CB . 10262 1 1037 . 1 1 93 93 ARG CD C 13 43.071 0.300 . 1 . . . . 93 ARG CD . 10262 1 1038 . 1 1 93 93 ARG CG C 13 27.767 0.300 . 1 . . . . 93 ARG CG . 10262 1 1039 . 1 1 93 93 ARG N N 15 124.879 0.300 . 1 . . . . 93 ARG N . 10262 1 1040 . 1 1 94 94 ALA H H 1 9.064 0.030 . 1 . . . . 94 ALA H . 10262 1 1041 . 1 1 94 94 ALA HA H 1 4.731 0.030 . 1 . . . . 94 ALA HA . 10262 1 1042 . 1 1 94 94 ALA HB1 H 1 1.238 0.030 . 1 . . . . 94 ALA HB . 10262 1 1043 . 1 1 94 94 ALA HB2 H 1 1.238 0.030 . 1 . . . . 94 ALA HB . 10262 1 1044 . 1 1 94 94 ALA HB3 H 1 1.238 0.030 . 1 . . . . 94 ALA HB . 10262 1 1045 . 1 1 94 94 ALA C C 13 174.494 0.300 . 1 . . . . 94 ALA C . 10262 1 1046 . 1 1 94 94 ALA CA C 13 50.577 0.300 . 1 . . . . 94 ALA CA . 10262 1 1047 . 1 1 94 94 ALA CB C 13 23.082 0.300 . 1 . . . . 94 ALA CB . 10262 1 1048 . 1 1 94 94 ALA N N 15 126.095 0.300 . 1 . . . . 94 ALA N . 10262 1 1049 . 1 1 95 95 ARG H H 1 8.263 0.030 . 1 . . . . 95 ARG H . 10262 1 1050 . 1 1 95 95 ARG HA H 1 5.548 0.030 . 1 . . . . 95 ARG HA . 10262 1 1051 . 1 1 95 95 ARG HB2 H 1 1.771 0.030 . 2 . . . . 95 ARG HB2 . 10262 1 1052 . 1 1 95 95 ARG HB3 H 1 1.625 0.030 . 2 . . . . 95 ARG HB3 . 10262 1 1053 . 1 1 95 95 ARG HD2 H 1 3.124 0.030 . 2 . . . . 95 ARG HD2 . 10262 1 1054 . 1 1 95 95 ARG HD3 H 1 3.052 0.030 . 2 . . . . 95 ARG HD3 . 10262 1 1055 . 1 1 95 95 ARG HE H 1 7.383 0.030 . 1 . . . . 95 ARG HE . 10262 1 1056 . 1 1 95 95 ARG HG2 H 1 1.346 0.030 . 2 . . . . 95 ARG HG2 . 10262 1 1057 . 1 1 95 95 ARG HG3 H 1 1.290 0.030 . 2 . . . . 95 ARG HG3 . 10262 1 1058 . 1 1 95 95 ARG C C 13 176.901 0.300 . 1 . . . . 95 ARG C . 10262 1 1059 . 1 1 95 95 ARG CA C 13 53.787 0.300 . 1 . . . . 95 ARG CA . 10262 1 1060 . 1 1 95 95 ARG CB C 13 32.426 0.300 . 1 . . . . 95 ARG CB . 10262 1 1061 . 1 1 95 95 ARG CD C 13 43.453 0.300 . 1 . . . . 95 ARG CD . 10262 1 1062 . 1 1 95 95 ARG CG C 13 26.999 0.300 . 1 . . . . 95 ARG CG . 10262 1 1063 . 1 1 95 95 ARG N N 15 123.374 0.300 . 1 . . . . 95 ARG N . 10262 1 1064 . 1 1 95 95 ARG NE N 15 85.110 0.300 . 1 . . . . 95 ARG NE . 10262 1 1065 . 1 1 96 96 THR H H 1 9.208 0.030 . 1 . . . . 96 THR H . 10262 1 1066 . 1 1 96 96 THR HA H 1 4.461 0.030 . 1 . . . . 96 THR HA . 10262 1 1067 . 1 1 96 96 THR HB H 1 4.740 0.030 . 1 . . . . 96 THR HB . 10262 1 1068 . 1 1 96 96 THR HG21 H 1 1.118 0.030 . 1 . . . . 96 THR HG2 . 10262 1 1069 . 1 1 96 96 THR HG22 H 1 1.118 0.030 . 1 . . . . 96 THR HG2 . 10262 1 1070 . 1 1 96 96 THR HG23 H 1 1.118 0.030 . 1 . . . . 96 THR HG2 . 10262 1 1071 . 1 1 96 96 THR CA C 13 58.248 0.300 . 1 . . . . 96 THR CA . 10262 1 1072 . 1 1 96 96 THR CB C 13 68.466 0.300 . 1 . . . . 96 THR CB . 10262 1 1073 . 1 1 96 96 THR CG2 C 13 24.158 0.300 . 1 . . . . 96 THR CG2 . 10262 1 1074 . 1 1 96 96 THR N N 15 119.492 0.300 . 1 . . . . 96 THR N . 10262 1 1075 . 1 1 97 97 PRO HA H 1 4.636 0.030 . 1 . . . . 97 PRO HA . 10262 1 1076 . 1 1 97 97 PRO HB2 H 1 2.327 0.030 . 2 . . . . 97 PRO HB2 . 10262 1 1077 . 1 1 97 97 PRO HB3 H 1 2.168 0.030 . 2 . . . . 97 PRO HB3 . 10262 1 1078 . 1 1 97 97 PRO HD2 H 1 3.656 0.030 . 2 . . . . 97 PRO HD2 . 10262 1 1079 . 1 1 97 97 PRO HD3 H 1 3.528 0.030 . 2 . . . . 97 PRO HD3 . 10262 1 1080 . 1 1 97 97 PRO HG2 H 1 1.999 0.030 . 2 . . . . 97 PRO HG2 . 10262 1 1081 . 1 1 97 97 PRO HG3 H 1 1.583 0.030 . 2 . . . . 97 PRO HG3 . 10262 1 1082 . 1 1 97 97 PRO C C 13 175.725 0.300 . 1 . . . . 97 PRO C . 10262 1 1083 . 1 1 97 97 PRO CA C 13 61.907 0.300 . 1 . . . . 97 PRO CA . 10262 1 1084 . 1 1 97 97 PRO CB C 13 32.590 0.300 . 1 . . . . 97 PRO CB . 10262 1 1085 . 1 1 97 97 PRO CD C 13 50.109 0.300 . 1 . . . . 97 PRO CD . 10262 1 1086 . 1 1 97 97 PRO CG C 13 26.658 0.300 . 1 . . . . 97 PRO CG . 10262 1 1087 . 1 1 98 98 THR H H 1 7.943 0.030 . 1 . . . . 98 THR H . 10262 1 1088 . 1 1 98 98 THR HA H 1 4.208 0.030 . 1 . . . . 98 THR HA . 10262 1 1089 . 1 1 98 98 THR HB H 1 4.324 0.030 . 1 . . . . 98 THR HB . 10262 1 1090 . 1 1 98 98 THR HG21 H 1 1.216 0.030 . 1 . . . . 98 THR HG2 . 10262 1 1091 . 1 1 98 98 THR HG22 H 1 1.216 0.030 . 1 . . . . 98 THR HG2 . 10262 1 1092 . 1 1 98 98 THR HG23 H 1 1.216 0.030 . 1 . . . . 98 THR HG2 . 10262 1 1093 . 1 1 98 98 THR C C 13 175.058 0.300 . 1 . . . . 98 THR C . 10262 1 1094 . 1 1 98 98 THR CA C 13 62.069 0.300 . 1 . . . . 98 THR CA . 10262 1 1095 . 1 1 98 98 THR CB C 13 69.719 0.300 . 1 . . . . 98 THR CB . 10262 1 1096 . 1 1 98 98 THR CG2 C 13 22.246 0.300 . 1 . . . . 98 THR CG2 . 10262 1 1097 . 1 1 98 98 THR N N 15 107.148 0.300 . 1 . . . . 98 THR N . 10262 1 1098 . 1 1 99 99 SER H H 1 8.163 0.030 . 1 . . . . 99 SER H . 10262 1 1099 . 1 1 99 99 SER HA H 1 4.524 0.030 . 1 . . . . 99 SER HA . 10262 1 1100 . 1 1 99 99 SER HB2 H 1 3.849 0.030 . 1 . . . . 99 SER HB2 . 10262 1 1101 . 1 1 99 99 SER HB3 H 1 3.849 0.030 . 1 . . . . 99 SER HB3 . 10262 1 1102 . 1 1 99 99 SER C C 13 174.319 0.300 . 1 . . . . 99 SER C . 10262 1 1103 . 1 1 99 99 SER CA C 13 58.107 0.300 . 1 . . . . 99 SER CA . 10262 1 1104 . 1 1 99 99 SER CB C 13 64.492 0.300 . 1 . . . . 99 SER CB . 10262 1 1105 . 1 1 99 99 SER N N 15 115.114 0.300 . 1 . . . . 99 SER N . 10262 1 1106 . 1 1 100 100 GLY H H 1 8.336 0.030 . 1 . . . . 100 GLY H . 10262 1 1107 . 1 1 100 100 GLY HA2 H 1 4.222 0.030 . 1 . . . . 100 GLY HA2 . 10262 1 1108 . 1 1 100 100 GLY HA3 H 1 4.222 0.030 . 1 . . . . 100 GLY HA3 . 10262 1 1109 . 1 1 100 100 GLY C C 13 171.696 0.300 . 1 . . . . 100 GLY C . 10262 1 1110 . 1 1 100 100 GLY CA C 13 44.617 0.300 . 1 . . . . 100 GLY CA . 10262 1 1111 . 1 1 100 100 GLY N N 15 110.678 0.300 . 1 . . . . 100 GLY N . 10262 1 1112 . 1 1 101 101 PRO HA H 1 4.506 0.030 . 1 . . . . 101 PRO HA . 10262 1 1113 . 1 1 101 101 PRO HB2 H 1 2.337 0.030 . 2 . . . . 101 PRO HB2 . 10262 1 1114 . 1 1 101 101 PRO HB3 H 1 2.019 0.030 . 2 . . . . 101 PRO HB3 . 10262 1 1115 . 1 1 101 101 PRO HD2 H 1 3.659 0.030 . 1 . . . . 101 PRO HD2 . 10262 1 1116 . 1 1 101 101 PRO HD3 H 1 3.659 0.030 . 1 . . . . 101 PRO HD3 . 10262 1 1117 . 1 1 101 101 PRO HG2 H 1 2.059 0.030 . 2 . . . . 101 PRO HG2 . 10262 1 1118 . 1 1 101 101 PRO CA C 13 63.358 0.300 . 1 . . . . 101 PRO CA . 10262 1 1119 . 1 1 101 101 PRO CB C 13 32.313 0.300 . 1 . . . . 101 PRO CB . 10262 1 1120 . 1 1 101 101 PRO CD C 13 49.802 0.300 . 1 . . . . 101 PRO CD . 10262 1 1121 . 1 1 101 101 PRO CG C 13 27.240 0.300 . 1 . . . . 101 PRO CG . 10262 1 stop_ save_