data_11125 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11125 _Entry.Title ; Solution structure of the 6th fibronectin type III domain from human fibronectin type III domain containing protein 3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-31 _Entry.Accession_date 2010-03-31 _Entry.Last_release_date 2011-04-01 _Entry.Original_release_date 2011-04-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 T. Tomizawa . . . 11125 2 T. Kigawa . . . 11125 3 S. Koshiba . . . 11125 4 M. Inoue . . . 11125 5 S. Yokoyama . . . 11125 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 . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11125 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11125 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 404 11125 '15N chemical shifts' 96 11125 '1H chemical shifts' 637 11125 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 . . 2011-04-01 2010-03-31 original author . 11125 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X4X 'BMRB Entry Tracking System' 11125 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11125 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the 6th fibronectin type III domain from human fibronectin type III domain containing protein 3 ; _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 T. Tomizawa . . . 11125 1 2 T. Kigawa . . . 11125 1 3 S. Koshiba . . . 11125 1 4 M. Inoue . . . 11125 1 5 S. Yokoyama . . . 11125 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11125 _Assembly.ID 1 _Assembly.Name 'Fibronectin type-III domain containing protein 3a' _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 (fn3) domain' 1 $entity_1 A . yes native no no . . . 11125 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 yes PDB 1x4x . . . . . . 11125 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11125 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'fibronectin type III (fn3) domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGPDQCKPPQVTCRS ATCAQVNWEVPLSNGTDVTE YRLEWGGVEGSMQICYCGPG LSYEIKGLSPATTYYCRVQA LSVVGAGPFSEVVACVTPPS SGPSSG ; _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 106 _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 1X4X . "Solution Structure Of The 6th Fibronectin Type Iii Domain From Human Fibronectin Type Iii Domain Containing Protein 3" . . . . . 100.00 106 100.00 100.00 5.99e-68 . . . . 11125 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'fibronectin type III (fn3) domain' . 11125 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 . 11125 1 2 . SER . 11125 1 3 . SER . 11125 1 4 . GLY . 11125 1 5 . SER . 11125 1 6 . SER . 11125 1 7 . GLY . 11125 1 8 . PRO . 11125 1 9 . ASP . 11125 1 10 . GLN . 11125 1 11 . CYS . 11125 1 12 . LYS . 11125 1 13 . PRO . 11125 1 14 . PRO . 11125 1 15 . GLN . 11125 1 16 . VAL . 11125 1 17 . THR . 11125 1 18 . CYS . 11125 1 19 . ARG . 11125 1 20 . SER . 11125 1 21 . ALA . 11125 1 22 . THR . 11125 1 23 . CYS . 11125 1 24 . ALA . 11125 1 25 . GLN . 11125 1 26 . VAL . 11125 1 27 . ASN . 11125 1 28 . TRP . 11125 1 29 . GLU . 11125 1 30 . VAL . 11125 1 31 . PRO . 11125 1 32 . LEU . 11125 1 33 . SER . 11125 1 34 . ASN . 11125 1 35 . GLY . 11125 1 36 . THR . 11125 1 37 . ASP . 11125 1 38 . VAL . 11125 1 39 . THR . 11125 1 40 . GLU . 11125 1 41 . TYR . 11125 1 42 . ARG . 11125 1 43 . LEU . 11125 1 44 . GLU . 11125 1 45 . TRP . 11125 1 46 . GLY . 11125 1 47 . GLY . 11125 1 48 . VAL . 11125 1 49 . GLU . 11125 1 50 . GLY . 11125 1 51 . SER . 11125 1 52 . MET . 11125 1 53 . GLN . 11125 1 54 . ILE . 11125 1 55 . CYS . 11125 1 56 . TYR . 11125 1 57 . CYS . 11125 1 58 . GLY . 11125 1 59 . PRO . 11125 1 60 . GLY . 11125 1 61 . LEU . 11125 1 62 . SER . 11125 1 63 . TYR . 11125 1 64 . GLU . 11125 1 65 . ILE . 11125 1 66 . LYS . 11125 1 67 . GLY . 11125 1 68 . LEU . 11125 1 69 . SER . 11125 1 70 . PRO . 11125 1 71 . ALA . 11125 1 72 . THR . 11125 1 73 . THR . 11125 1 74 . TYR . 11125 1 75 . TYR . 11125 1 76 . CYS . 11125 1 77 . ARG . 11125 1 78 . VAL . 11125 1 79 . GLN . 11125 1 80 . ALA . 11125 1 81 . LEU . 11125 1 82 . SER . 11125 1 83 . VAL . 11125 1 84 . VAL . 11125 1 85 . GLY . 11125 1 86 . ALA . 11125 1 87 . GLY . 11125 1 88 . PRO . 11125 1 89 . PHE . 11125 1 90 . SER . 11125 1 91 . GLU . 11125 1 92 . VAL . 11125 1 93 . VAL . 11125 1 94 . ALA . 11125 1 95 . CYS . 11125 1 96 . VAL . 11125 1 97 . THR . 11125 1 98 . PRO . 11125 1 99 . PRO . 11125 1 100 . SER . 11125 1 101 . SER . 11125 1 102 . GLY . 11125 1 103 . PRO . 11125 1 104 . SER . 11125 1 105 . SER . 11125 1 106 . GLY . 11125 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 11125 1 . SER 2 2 11125 1 . SER 3 3 11125 1 . GLY 4 4 11125 1 . SER 5 5 11125 1 . SER 6 6 11125 1 . GLY 7 7 11125 1 . PRO 8 8 11125 1 . ASP 9 9 11125 1 . GLN 10 10 11125 1 . CYS 11 11 11125 1 . LYS 12 12 11125 1 . PRO 13 13 11125 1 . PRO 14 14 11125 1 . GLN 15 15 11125 1 . VAL 16 16 11125 1 . THR 17 17 11125 1 . CYS 18 18 11125 1 . ARG 19 19 11125 1 . SER 20 20 11125 1 . ALA 21 21 11125 1 . THR 22 22 11125 1 . CYS 23 23 11125 1 . ALA 24 24 11125 1 . GLN 25 25 11125 1 . VAL 26 26 11125 1 . ASN 27 27 11125 1 . TRP 28 28 11125 1 . GLU 29 29 11125 1 . VAL 30 30 11125 1 . PRO 31 31 11125 1 . LEU 32 32 11125 1 . SER 33 33 11125 1 . ASN 34 34 11125 1 . GLY 35 35 11125 1 . THR 36 36 11125 1 . ASP 37 37 11125 1 . VAL 38 38 11125 1 . THR 39 39 11125 1 . GLU 40 40 11125 1 . TYR 41 41 11125 1 . ARG 42 42 11125 1 . LEU 43 43 11125 1 . GLU 44 44 11125 1 . TRP 45 45 11125 1 . GLY 46 46 11125 1 . GLY 47 47 11125 1 . VAL 48 48 11125 1 . GLU 49 49 11125 1 . GLY 50 50 11125 1 . SER 51 51 11125 1 . MET 52 52 11125 1 . GLN 53 53 11125 1 . ILE 54 54 11125 1 . CYS 55 55 11125 1 . TYR 56 56 11125 1 . CYS 57 57 11125 1 . GLY 58 58 11125 1 . PRO 59 59 11125 1 . GLY 60 60 11125 1 . LEU 61 61 11125 1 . SER 62 62 11125 1 . TYR 63 63 11125 1 . GLU 64 64 11125 1 . ILE 65 65 11125 1 . LYS 66 66 11125 1 . GLY 67 67 11125 1 . LEU 68 68 11125 1 . SER 69 69 11125 1 . PRO 70 70 11125 1 . ALA 71 71 11125 1 . THR 72 72 11125 1 . THR 73 73 11125 1 . TYR 74 74 11125 1 . TYR 75 75 11125 1 . CYS 76 76 11125 1 . ARG 77 77 11125 1 . VAL 78 78 11125 1 . GLN 79 79 11125 1 . ALA 80 80 11125 1 . LEU 81 81 11125 1 . SER 82 82 11125 1 . VAL 83 83 11125 1 . VAL 84 84 11125 1 . GLY 85 85 11125 1 . ALA 86 86 11125 1 . GLY 87 87 11125 1 . PRO 88 88 11125 1 . PHE 89 89 11125 1 . SER 90 90 11125 1 . GLU 91 91 11125 1 . VAL 92 92 11125 1 . VAL 93 93 11125 1 . ALA 94 94 11125 1 . CYS 95 95 11125 1 . VAL 96 96 11125 1 . THR 97 97 11125 1 . PRO 98 98 11125 1 . PRO 99 99 11125 1 . SER 100 100 11125 1 . SER 101 101 11125 1 . GLY 102 102 11125 1 . PRO 103 103 11125 1 . SER 104 104 11125 1 . SER 105 105 11125 1 . GLY 106 106 11125 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 11125 _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 . . . . . . . . . . . . . . . . . . . . . 11125 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 11125 _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' 'E. coli - cell free' . . 562 Escherichia coli . . . . . . . . . . . . . . . . P040705-15 . . . . . . 11125 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11125 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.66mM fn3 domain {U-15N,13C;} 20mM {d-Tris-HCl;} 200mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; _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 0.66 . . mM . . . . 11125 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11125 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11125 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11125 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11125 1 6 H2O . . . . . . solvent 90 . . % . . . . 11125 1 7 D2O . . . . . . solvent 10 . . % . . . . 11125 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 11125 _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' 220 0.1 mM 11125 1 pH 7.0 0.05 pH 11125 1 pressure 1 0.001 atm 11125 1 temperature 298 0.1 K 11125 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11125 _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 . . 11125 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11125 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11125 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11125 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11125 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11125 _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.' . . 11125 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11125 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11125 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9295 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11125 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11125 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11125 _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.' . . 11125 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11125 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 11125 _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 11125 _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 . . . 11125 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 11125 _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 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11125 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11125 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 11125 _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 . . . . . . . . . 11125 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11125 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11125 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 11125 _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 15N-separated NOESY' 1 $sample_1 isotropic 11125 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11125 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11125 1 2 $NMRPipe . . 11125 1 3 $NMRview . . 11125 1 4 $Kujira . . 11125 1 5 $CYANA . . 11125 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 1 1 GLY HA2 H 1 3.761 0.030 . 2 . . . . 1 GLY HA2 . 11125 1 2 . 1 1 1 1 GLY CA C 13 41.426 0.300 . 1 . . . . 1 GLY CA . 11125 1 3 . 1 1 6 6 SER HA H 1 4.431 0.030 . 1 . . . . 6 SER HA . 11125 1 4 . 1 1 6 6 SER HB2 H 1 3.732 0.030 . 2 . . . . 6 SER HB2 . 11125 1 5 . 1 1 6 6 SER CA C 13 55.769 0.300 . 1 . . . . 6 SER CA . 11125 1 6 . 1 1 6 6 SER CB C 13 61.952 0.300 . 1 . . . . 6 SER CB . 11125 1 7 . 1 1 7 7 GLY H H 1 7.962 0.030 . 1 . . . . 7 GLY H . 11125 1 8 . 1 1 7 7 GLY HA2 H 1 3.578 0.030 . 2 . . . . 7 GLY HA2 . 11125 1 9 . 1 1 7 7 GLY HA3 H 1 3.625 0.030 . 2 . . . . 7 GLY HA3 . 11125 1 10 . 1 1 7 7 GLY CA C 13 41.822 0.300 . 1 . . . . 7 GLY CA . 11125 1 11 . 1 1 7 7 GLY N N 15 108.649 0.300 . 1 . . . . 7 GLY N . 11125 1 12 . 1 1 8 8 PRO HA H 1 4.307 0.030 . 1 . . . . 8 PRO HA . 11125 1 13 . 1 1 8 8 PRO HB2 H 1 1.990 0.030 . 2 . . . . 8 PRO HB2 . 11125 1 14 . 1 1 8 8 PRO HB3 H 1 1.685 0.030 . 2 . . . . 8 PRO HB3 . 11125 1 15 . 1 1 8 8 PRO HD2 H 1 3.130 0.030 . 2 . . . . 8 PRO HD2 . 11125 1 16 . 1 1 8 8 PRO HD3 H 1 3.449 0.030 . 2 . . . . 8 PRO HD3 . 11125 1 17 . 1 1 8 8 PRO HG2 H 1 1.498 0.030 . 1 . . . . 8 PRO HG2 . 11125 1 18 . 1 1 8 8 PRO HG3 H 1 1.498 0.030 . 1 . . . . 8 PRO HG3 . 11125 1 19 . 1 1 8 8 PRO C C 13 172.107 0.300 . 1 . . . . 8 PRO C . 11125 1 20 . 1 1 8 8 PRO CA C 13 60.346 0.300 . 1 . . . . 8 PRO CA . 11125 1 21 . 1 1 8 8 PRO CB C 13 30.625 0.300 . 1 . . . . 8 PRO CB . 11125 1 22 . 1 1 8 8 PRO CD C 13 47.295 0.300 . 1 . . . . 8 PRO CD . 11125 1 23 . 1 1 8 8 PRO CG C 13 25.688 0.300 . 1 . . . . 8 PRO CG . 11125 1 24 . 1 1 9 9 ASP H H 1 8.154 0.030 . 1 . . . . 9 ASP H . 11125 1 25 . 1 1 9 9 ASP HA H 1 4.468 0.030 . 1 . . . . 9 ASP HA . 11125 1 26 . 1 1 9 9 ASP HB2 H 1 2.617 0.030 . 2 . . . . 9 ASP HB2 . 11125 1 27 . 1 1 9 9 ASP HB3 H 1 2.721 0.030 . 2 . . . . 9 ASP HB3 . 11125 1 28 . 1 1 9 9 ASP C C 13 172.971 0.300 . 1 . . . . 9 ASP C . 11125 1 29 . 1 1 9 9 ASP CA C 13 50.907 0.300 . 1 . . . . 9 ASP CA . 11125 1 30 . 1 1 9 9 ASP CB C 13 39.697 0.300 . 1 . . . . 9 ASP CB . 11125 1 31 . 1 1 9 9 ASP N N 15 118.017 0.300 . 1 . . . . 9 ASP N . 11125 1 32 . 1 1 10 10 GLN H H 1 8.444 0.030 . 1 . . . . 10 GLN H . 11125 1 33 . 1 1 10 10 GLN HA H 1 3.911 0.030 . 1 . . . . 10 GLN HA . 11125 1 34 . 1 1 10 10 GLN HB2 H 1 1.960 0.030 . 2 . . . . 10 GLN HB2 . 11125 1 35 . 1 1 10 10 GLN HB3 H 1 1.653 0.030 . 2 . . . . 10 GLN HB3 . 11125 1 36 . 1 1 10 10 GLN HE21 H 1 7.917 0.030 . 2 . . . . 10 GLN HE21 . 11125 1 37 . 1 1 10 10 GLN HE22 H 1 7.116 0.030 . 2 . . . . 10 GLN HE22 . 11125 1 38 . 1 1 10 10 GLN HG2 H 1 1.993 0.030 . 2 . . . . 10 GLN HG2 . 11125 1 39 . 1 1 10 10 GLN HG3 H 1 2.594 0.030 . 2 . . . . 10 GLN HG3 . 11125 1 40 . 1 1 10 10 GLN C C 13 174.197 0.300 . 1 . . . . 10 GLN C . 11125 1 41 . 1 1 10 10 GLN CA C 13 54.231 0.300 . 1 . . . . 10 GLN CA . 11125 1 42 . 1 1 10 10 GLN CB C 13 27.407 0.300 . 1 . . . . 10 GLN CB . 11125 1 43 . 1 1 10 10 GLN CG C 13 30.513 0.300 . 1 . . . . 10 GLN CG . 11125 1 44 . 1 1 10 10 GLN N N 15 117.847 0.300 . 1 . . . . 10 GLN N . 11125 1 45 . 1 1 10 10 GLN NE2 N 15 112.220 0.300 . 1 . . . . 10 GLN NE2 . 11125 1 46 . 1 1 11 11 CYS H H 1 6.886 0.030 . 1 . . . . 11 CYS H . 11125 1 47 . 1 1 11 11 CYS HA H 1 4.576 0.030 . 1 . . . . 11 CYS HA . 11125 1 48 . 1 1 11 11 CYS HB2 H 1 2.981 0.030 . 2 . . . . 11 CYS HB2 . 11125 1 49 . 1 1 11 11 CYS HB3 H 1 2.685 0.030 . 2 . . . . 11 CYS HB3 . 11125 1 50 . 1 1 11 11 CYS C C 13 172.596 0.300 . 1 . . . . 11 CYS C . 11125 1 51 . 1 1 11 11 CYS CA C 13 59.380 0.300 . 1 . . . . 11 CYS CA . 11125 1 52 . 1 1 11 11 CYS CB C 13 27.495 0.300 . 1 . . . . 11 CYS CB . 11125 1 53 . 1 1 11 11 CYS N N 15 125.547 0.300 . 1 . . . . 11 CYS N . 11125 1 54 . 1 1 12 12 LYS H H 1 8.741 0.030 . 1 . . . . 12 LYS H . 11125 1 55 . 1 1 12 12 LYS HA H 1 4.314 0.030 . 1 . . . . 12 LYS HA . 11125 1 56 . 1 1 12 12 LYS HB2 H 1 1.806 0.030 . 2 . . . . 12 LYS HB2 . 11125 1 57 . 1 1 12 12 LYS HB3 H 1 1.680 0.030 . 2 . . . . 12 LYS HB3 . 11125 1 58 . 1 1 12 12 LYS HD2 H 1 1.619 0.030 . 1 . . . . 12 LYS HD2 . 11125 1 59 . 1 1 12 12 LYS HD3 H 1 1.619 0.030 . 1 . . . . 12 LYS HD3 . 11125 1 60 . 1 1 12 12 LYS HE2 H 1 2.936 0.030 . 1 . . . . 12 LYS HE2 . 11125 1 61 . 1 1 12 12 LYS HE3 H 1 2.936 0.030 . 1 . . . . 12 LYS HE3 . 11125 1 62 . 1 1 12 12 LYS HG2 H 1 1.474 0.030 . 2 . . . . 12 LYS HG2 . 11125 1 63 . 1 1 12 12 LYS HG3 H 1 1.588 0.030 . 2 . . . . 12 LYS HG3 . 11125 1 64 . 1 1 12 12 LYS C C 13 171.670 0.300 . 1 . . . . 12 LYS C . 11125 1 65 . 1 1 12 12 LYS CA C 13 53.331 0.300 . 1 . . . . 12 LYS CA . 11125 1 66 . 1 1 12 12 LYS CB C 13 28.684 0.300 . 1 . . . . 12 LYS CB . 11125 1 67 . 1 1 12 12 LYS CD C 13 27.079 0.300 . 1 . . . . 12 LYS CD . 11125 1 68 . 1 1 12 12 LYS CE C 13 39.810 0.300 . 1 . . . . 12 LYS CE . 11125 1 69 . 1 1 12 12 LYS CG C 13 23.305 0.300 . 1 . . . . 12 LYS CG . 11125 1 70 . 1 1 12 12 LYS N N 15 122.192 0.300 . 1 . . . . 12 LYS N . 11125 1 71 . 1 1 13 13 PRO HA H 1 4.535 0.030 . 1 . . . . 13 PRO HA . 11125 1 72 . 1 1 13 13 PRO HB2 H 1 2.164 0.030 . 2 . . . . 13 PRO HB2 . 11125 1 73 . 1 1 13 13 PRO HB3 H 1 1.722 0.030 . 2 . . . . 13 PRO HB3 . 11125 1 74 . 1 1 13 13 PRO HD2 H 1 3.465 0.030 . 2 . . . . 13 PRO HD2 . 11125 1 75 . 1 1 13 13 PRO HD3 H 1 3.927 0.030 . 2 . . . . 13 PRO HD3 . 11125 1 76 . 1 1 13 13 PRO HG2 H 1 1.958 0.030 . 2 . . . . 13 PRO HG2 . 11125 1 77 . 1 1 13 13 PRO HG3 H 1 2.075 0.030 . 2 . . . . 13 PRO HG3 . 11125 1 78 . 1 1 13 13 PRO CA C 13 59.382 0.300 . 1 . . . . 13 PRO CA . 11125 1 79 . 1 1 13 13 PRO CB C 13 28.565 0.300 . 1 . . . . 13 PRO CB . 11125 1 80 . 1 1 13 13 PRO CD C 13 47.885 0.300 . 1 . . . . 13 PRO CD . 11125 1 81 . 1 1 13 13 PRO CG C 13 26.122 0.300 . 1 . . . . 13 PRO CG . 11125 1 82 . 1 1 14 14 PRO HA H 1 4.687 0.030 . 1 . . . . 14 PRO HA . 11125 1 83 . 1 1 14 14 PRO HB2 H 1 2.181 0.030 . 2 . . . . 14 PRO HB2 . 11125 1 84 . 1 1 14 14 PRO HB3 H 1 1.800 0.030 . 2 . . . . 14 PRO HB3 . 11125 1 85 . 1 1 14 14 PRO HD2 H 1 3.642 0.030 . 2 . . . . 14 PRO HD2 . 11125 1 86 . 1 1 14 14 PRO HD3 H 1 4.105 0.030 . 2 . . . . 14 PRO HD3 . 11125 1 87 . 1 1 14 14 PRO HG2 H 1 1.624 0.030 . 2 . . . . 14 PRO HG2 . 11125 1 88 . 1 1 14 14 PRO HG3 H 1 1.830 0.030 . 2 . . . . 14 PRO HG3 . 11125 1 89 . 1 1 14 14 PRO C C 13 172.022 0.300 . 1 . . . . 14 PRO C . 11125 1 90 . 1 1 14 14 PRO CA C 13 60.193 0.300 . 1 . . . . 14 PRO CA . 11125 1 91 . 1 1 14 14 PRO CB C 13 31.008 0.300 . 1 . . . . 14 PRO CB . 11125 1 92 . 1 1 14 14 PRO CD C 13 48.523 0.300 . 1 . . . . 14 PRO CD . 11125 1 93 . 1 1 14 14 PRO CG C 13 25.248 0.300 . 1 . . . . 14 PRO CG . 11125 1 94 . 1 1 15 15 GLN H H 1 8.976 0.030 . 1 . . . . 15 GLN H . 11125 1 95 . 1 1 15 15 GLN HA H 1 4.513 0.030 . 1 . . . . 15 GLN HA . 11125 1 96 . 1 1 15 15 GLN HB2 H 1 2.010 0.030 . 2 . . . . 15 GLN HB2 . 11125 1 97 . 1 1 15 15 GLN HB3 H 1 1.886 0.030 . 2 . . . . 15 GLN HB3 . 11125 1 98 . 1 1 15 15 GLN HE21 H 1 6.740 0.030 . 2 . . . . 15 GLN HE21 . 11125 1 99 . 1 1 15 15 GLN HE22 H 1 7.427 0.030 . 2 . . . . 15 GLN HE22 . 11125 1 100 . 1 1 15 15 GLN HG2 H 1 2.315 0.030 . 2 . . . . 15 GLN HG2 . 11125 1 101 . 1 1 15 15 GLN HG3 H 1 2.213 0.030 . 2 . . . . 15 GLN HG3 . 11125 1 102 . 1 1 15 15 GLN C C 13 173.191 0.300 . 1 . . . . 15 GLN C . 11125 1 103 . 1 1 15 15 GLN CA C 13 52.535 0.300 . 1 . . . . 15 GLN CA . 11125 1 104 . 1 1 15 15 GLN CB C 13 28.570 0.300 . 1 . . . . 15 GLN CB . 11125 1 105 . 1 1 15 15 GLN CG C 13 31.768 0.300 . 1 . . . . 15 GLN CG . 11125 1 106 . 1 1 15 15 GLN N N 15 118.828 0.300 . 1 . . . . 15 GLN N . 11125 1 107 . 1 1 15 15 GLN NE2 N 15 112.022 0.300 . 1 . . . . 15 GLN NE2 . 11125 1 108 . 1 1 16 16 VAL H H 1 8.820 0.030 . 1 . . . . 16 VAL H . 11125 1 109 . 1 1 16 16 VAL HA H 1 4.939 0.030 . 1 . . . . 16 VAL HA . 11125 1 110 . 1 1 16 16 VAL HB H 1 1.928 0.030 . 1 . . . . 16 VAL HB . 11125 1 111 . 1 1 16 16 VAL HG11 H 1 0.914 0.030 . 1 . . . . 16 VAL HG1 . 11125 1 112 . 1 1 16 16 VAL HG12 H 1 0.914 0.030 . 1 . . . . 16 VAL HG1 . 11125 1 113 . 1 1 16 16 VAL HG13 H 1 0.914 0.030 . 1 . . . . 16 VAL HG1 . 11125 1 114 . 1 1 16 16 VAL HG21 H 1 1.003 0.030 . 1 . . . . 16 VAL HG2 . 11125 1 115 . 1 1 16 16 VAL HG22 H 1 1.003 0.030 . 1 . . . . 16 VAL HG2 . 11125 1 116 . 1 1 16 16 VAL HG23 H 1 1.003 0.030 . 1 . . . . 16 VAL HG2 . 11125 1 117 . 1 1 16 16 VAL C C 13 173.302 0.300 . 1 . . . . 16 VAL C . 11125 1 118 . 1 1 16 16 VAL CA C 13 59.132 0.300 . 1 . . . . 16 VAL CA . 11125 1 119 . 1 1 16 16 VAL CB C 13 31.677 0.300 . 1 . . . . 16 VAL CB . 11125 1 120 . 1 1 16 16 VAL CG1 C 13 19.424 0.300 . 2 . . . . 16 VAL CG1 . 11125 1 121 . 1 1 16 16 VAL CG2 C 13 20.490 0.300 . 2 . . . . 16 VAL CG2 . 11125 1 122 . 1 1 16 16 VAL N N 15 125.461 0.300 . 1 . . . . 16 VAL N . 11125 1 123 . 1 1 17 17 THR H H 1 9.155 0.030 . 1 . . . . 17 THR H . 11125 1 124 . 1 1 17 17 THR HA H 1 4.497 0.030 . 1 . . . . 17 THR HA . 11125 1 125 . 1 1 17 17 THR HB H 1 3.909 0.030 . 1 . . . . 17 THR HB . 11125 1 126 . 1 1 17 17 THR HG21 H 1 1.036 0.030 . 1 . . . . 17 THR HG2 . 11125 1 127 . 1 1 17 17 THR HG22 H 1 1.036 0.030 . 1 . . . . 17 THR HG2 . 11125 1 128 . 1 1 17 17 THR HG23 H 1 1.036 0.030 . 1 . . . . 17 THR HG2 . 11125 1 129 . 1 1 17 17 THR C C 13 171.791 0.300 . 1 . . . . 17 THR C . 11125 1 130 . 1 1 17 17 THR CA C 13 58.639 0.300 . 1 . . . . 17 THR CA . 11125 1 131 . 1 1 17 17 THR CB C 13 68.695 0.300 . 1 . . . . 17 THR CB . 11125 1 132 . 1 1 17 17 THR CG2 C 13 18.795 0.300 . 1 . . . . 17 THR CG2 . 11125 1 133 . 1 1 17 17 THR N N 15 123.214 0.300 . 1 . . . . 17 THR N . 11125 1 134 . 1 1 18 18 CYS HA H 1 4.759 0.030 . 1 . . . . 18 CYS HA . 11125 1 135 . 1 1 18 18 CYS HB2 H 1 2.942 0.030 . 2 . . . . 18 CYS HB2 . 11125 1 136 . 1 1 18 18 CYS HB3 H 1 2.832 0.030 . 2 . . . . 18 CYS HB3 . 11125 1 137 . 1 1 18 18 CYS C C 13 172.429 0.300 . 1 . . . . 18 CYS C . 11125 1 138 . 1 1 18 18 CYS CA C 13 57.100 0.300 . 1 . . . . 18 CYS CA . 11125 1 139 . 1 1 18 18 CYS CB C 13 24.882 0.300 . 1 . . . . 18 CYS CB . 11125 1 140 . 1 1 19 19 ARG H H 1 8.514 0.030 . 1 . . . . 19 ARG H . 11125 1 141 . 1 1 19 19 ARG HA H 1 4.149 0.030 . 1 . . . . 19 ARG HA . 11125 1 142 . 1 1 19 19 ARG HB2 H 1 1.762 0.030 . 2 . . . . 19 ARG HB2 . 11125 1 143 . 1 1 19 19 ARG HB3 H 1 1.507 0.030 . 2 . . . . 19 ARG HB3 . 11125 1 144 . 1 1 19 19 ARG HD2 H 1 3.009 0.030 . 1 . . . . 19 ARG HD2 . 11125 1 145 . 1 1 19 19 ARG HD3 H 1 3.009 0.030 . 1 . . . . 19 ARG HD3 . 11125 1 146 . 1 1 19 19 ARG HG2 H 1 1.433 0.030 . 2 . . . . 19 ARG HG2 . 11125 1 147 . 1 1 19 19 ARG HG3 H 1 1.497 0.030 . 2 . . . . 19 ARG HG3 . 11125 1 148 . 1 1 19 19 ARG C C 13 173.149 0.300 . 1 . . . . 19 ARG C . 11125 1 149 . 1 1 19 19 ARG CA C 13 54.471 0.300 . 1 . . . . 19 ARG CA . 11125 1 150 . 1 1 19 19 ARG CB C 13 28.582 0.300 . 1 . . . . 19 ARG CB . 11125 1 151 . 1 1 19 19 ARG CD C 13 40.704 0.300 . 1 . . . . 19 ARG CD . 11125 1 152 . 1 1 19 19 ARG CG C 13 24.898 0.300 . 1 . . . . 19 ARG CG . 11125 1 153 . 1 1 19 19 ARG N N 15 125.462 0.300 . 1 . . . . 19 ARG N . 11125 1 154 . 1 1 20 20 SER H H 1 8.193 0.030 . 1 . . . . 20 SER H . 11125 1 155 . 1 1 20 20 SER HA H 1 4.481 0.030 . 1 . . . . 20 SER HA . 11125 1 156 . 1 1 20 20 SER HB2 H 1 4.063 0.030 . 2 . . . . 20 SER HB2 . 11125 1 157 . 1 1 20 20 SER HB3 H 1 3.836 0.030 . 2 . . . . 20 SER HB3 . 11125 1 158 . 1 1 20 20 SER C C 13 170.125 0.300 . 1 . . . . 20 SER C . 11125 1 159 . 1 1 20 20 SER CA C 13 53.920 0.300 . 1 . . . . 20 SER CA . 11125 1 160 . 1 1 20 20 SER CB C 13 62.733 0.300 . 1 . . . . 20 SER CB . 11125 1 161 . 1 1 20 20 SER N N 15 112.785 0.300 . 1 . . . . 20 SER N . 11125 1 162 . 1 1 21 21 ALA H H 1 8.262 0.030 . 1 . . . . 21 ALA H . 11125 1 163 . 1 1 21 21 ALA HA H 1 4.084 0.030 . 1 . . . . 21 ALA HA . 11125 1 164 . 1 1 21 21 ALA HB1 H 1 1.236 0.030 . 1 . . . . 21 ALA HB . 11125 1 165 . 1 1 21 21 ALA HB2 H 1 1.236 0.030 . 1 . . . . 21 ALA HB . 11125 1 166 . 1 1 21 21 ALA HB3 H 1 1.236 0.030 . 1 . . . . 21 ALA HB . 11125 1 167 . 1 1 21 21 ALA C C 13 172.728 0.300 . 1 . . . . 21 ALA C . 11125 1 168 . 1 1 21 21 ALA CA C 13 52.040 0.300 . 1 . . . . 21 ALA CA . 11125 1 169 . 1 1 21 21 ALA CB C 13 17.923 0.300 . 1 . . . . 21 ALA CB . 11125 1 170 . 1 1 21 21 ALA N N 15 117.774 0.300 . 1 . . . . 21 ALA N . 11125 1 171 . 1 1 22 22 THR H H 1 7.372 0.030 . 1 . . . . 22 THR H . 11125 1 172 . 1 1 22 22 THR HA H 1 4.391 0.030 . 1 . . . . 22 THR HA . 11125 1 173 . 1 1 22 22 THR HB H 1 4.448 0.030 . 1 . . . . 22 THR HB . 11125 1 174 . 1 1 22 22 THR HG21 H 1 0.979 0.030 . 1 . . . . 22 THR HG2 . 11125 1 175 . 1 1 22 22 THR HG22 H 1 0.979 0.030 . 1 . . . . 22 THR HG2 . 11125 1 176 . 1 1 22 22 THR HG23 H 1 0.979 0.030 . 1 . . . . 22 THR HG2 . 11125 1 177 . 1 1 22 22 THR C C 13 172.689 0.300 . 1 . . . . 22 THR C . 11125 1 178 . 1 1 22 22 THR CA C 13 57.276 0.300 . 1 . . . . 22 THR CA . 11125 1 179 . 1 1 22 22 THR CB C 13 68.547 0.300 . 1 . . . . 22 THR CB . 11125 1 180 . 1 1 22 22 THR CG2 C 13 18.295 0.300 . 1 . . . . 22 THR CG2 . 11125 1 181 . 1 1 22 22 THR N N 15 95.770 0.300 . 1 . . . . 22 THR N . 11125 1 182 . 1 1 23 23 CYS H H 1 7.104 0.030 . 1 . . . . 23 CYS H . 11125 1 183 . 1 1 23 23 CYS HA H 1 5.257 0.030 . 1 . . . . 23 CYS HA . 11125 1 184 . 1 1 23 23 CYS HB2 H 1 2.624 0.030 . 2 . . . . 23 CYS HB2 . 11125 1 185 . 1 1 23 23 CYS HB3 H 1 2.523 0.030 . 2 . . . . 23 CYS HB3 . 11125 1 186 . 1 1 23 23 CYS C C 13 169.938 0.300 . 1 . . . . 23 CYS C . 11125 1 187 . 1 1 23 23 CYS CA C 13 54.240 0.300 . 1 . . . . 23 CYS CA . 11125 1 188 . 1 1 23 23 CYS CB C 13 28.061 0.300 . 1 . . . . 23 CYS CB . 11125 1 189 . 1 1 23 23 CYS N N 15 120.253 0.300 . 1 . . . . 23 CYS N . 11125 1 190 . 1 1 24 24 ALA H H 1 8.620 0.030 . 1 . . . . 24 ALA H . 11125 1 191 . 1 1 24 24 ALA HA H 1 4.915 0.030 . 1 . . . . 24 ALA HA . 11125 1 192 . 1 1 24 24 ALA HB1 H 1 0.988 0.030 . 1 . . . . 24 ALA HB . 11125 1 193 . 1 1 24 24 ALA HB2 H 1 0.988 0.030 . 1 . . . . 24 ALA HB . 11125 1 194 . 1 1 24 24 ALA HB3 H 1 0.988 0.030 . 1 . . . . 24 ALA HB . 11125 1 195 . 1 1 24 24 ALA C C 13 171.782 0.300 . 1 . . . . 24 ALA C . 11125 1 196 . 1 1 24 24 ALA CA C 13 48.223 0.300 . 1 . . . . 24 ALA CA . 11125 1 197 . 1 1 24 24 ALA CB C 13 20.642 0.300 . 1 . . . . 24 ALA CB . 11125 1 198 . 1 1 24 24 ALA N N 15 126.669 0.300 . 1 . . . . 24 ALA N . 11125 1 199 . 1 1 25 25 GLN H H 1 8.911 0.030 . 1 . . . . 25 GLN H . 11125 1 200 . 1 1 25 25 GLN HA H 1 4.515 0.030 . 1 . . . . 25 GLN HA . 11125 1 201 . 1 1 25 25 GLN HB2 H 1 1.799 0.030 . 2 . . . . 25 GLN HB2 . 11125 1 202 . 1 1 25 25 GLN HB3 H 1 1.896 0.030 . 2 . . . . 25 GLN HB3 . 11125 1 203 . 1 1 25 25 GLN HE21 H 1 6.582 0.030 . 2 . . . . 25 GLN HE21 . 11125 1 204 . 1 1 25 25 GLN HE22 H 1 7.343 0.030 . 2 . . . . 25 GLN HE22 . 11125 1 205 . 1 1 25 25 GLN HG2 H 1 2.042 0.030 . 2 . . . . 25 GLN HG2 . 11125 1 206 . 1 1 25 25 GLN HG3 H 1 1.947 0.030 . 2 . . . . 25 GLN HG3 . 11125 1 207 . 1 1 25 25 GLN C C 13 171.427 0.300 . 1 . . . . 25 GLN C . 11125 1 208 . 1 1 25 25 GLN CA C 13 52.299 0.300 . 1 . . . . 25 GLN CA . 11125 1 209 . 1 1 25 25 GLN CB C 13 28.669 0.300 . 1 . . . . 25 GLN CB . 11125 1 210 . 1 1 25 25 GLN CG C 13 31.752 0.300 . 1 . . . . 25 GLN CG . 11125 1 211 . 1 1 25 25 GLN N N 15 120.922 0.300 . 1 . . . . 25 GLN N . 11125 1 212 . 1 1 25 25 GLN NE2 N 15 112.132 0.300 . 1 . . . . 25 GLN NE2 . 11125 1 213 . 1 1 26 26 VAL H H 1 8.909 0.030 . 1 . . . . 26 VAL H . 11125 1 214 . 1 1 26 26 VAL HA H 1 4.909 0.030 . 1 . . . . 26 VAL HA . 11125 1 215 . 1 1 26 26 VAL HB H 1 2.172 0.030 . 1 . . . . 26 VAL HB . 11125 1 216 . 1 1 26 26 VAL HG11 H 1 1.277 0.030 . 1 . . . . 26 VAL HG1 . 11125 1 217 . 1 1 26 26 VAL HG12 H 1 1.277 0.030 . 1 . . . . 26 VAL HG1 . 11125 1 218 . 1 1 26 26 VAL HG13 H 1 1.277 0.030 . 1 . . . . 26 VAL HG1 . 11125 1 219 . 1 1 26 26 VAL HG21 H 1 0.977 0.030 . 1 . . . . 26 VAL HG2 . 11125 1 220 . 1 1 26 26 VAL HG22 H 1 0.977 0.030 . 1 . . . . 26 VAL HG2 . 11125 1 221 . 1 1 26 26 VAL HG23 H 1 0.977 0.030 . 1 . . . . 26 VAL HG2 . 11125 1 222 . 1 1 26 26 VAL C C 13 172.137 0.300 . 1 . . . . 26 VAL C . 11125 1 223 . 1 1 26 26 VAL CA C 13 58.843 0.300 . 1 . . . . 26 VAL CA . 11125 1 224 . 1 1 26 26 VAL CB C 13 31.734 0.300 . 1 . . . . 26 VAL CB . 11125 1 225 . 1 1 26 26 VAL CG1 C 13 21.230 0.300 . 2 . . . . 26 VAL CG1 . 11125 1 226 . 1 1 26 26 VAL CG2 C 13 19.767 0.300 . 2 . . . . 26 VAL CG2 . 11125 1 227 . 1 1 26 26 VAL N N 15 127.706 0.300 . 1 . . . . 26 VAL N . 11125 1 228 . 1 1 27 27 ASN H H 1 9.054 0.030 . 1 . . . . 27 ASN H . 11125 1 229 . 1 1 27 27 ASN HA H 1 5.107 0.030 . 1 . . . . 27 ASN HA . 11125 1 230 . 1 1 27 27 ASN HB2 H 1 2.545 0.030 . 2 . . . . 27 ASN HB2 . 11125 1 231 . 1 1 27 27 ASN HB3 H 1 2.377 0.030 . 2 . . . . 27 ASN HB3 . 11125 1 232 . 1 1 27 27 ASN HD21 H 1 7.517 0.030 . 2 . . . . 27 ASN HD21 . 11125 1 233 . 1 1 27 27 ASN HD22 H 1 6.615 0.030 . 2 . . . . 27 ASN HD22 . 11125 1 234 . 1 1 27 27 ASN C C 13 171.119 0.300 . 1 . . . . 27 ASN C . 11125 1 235 . 1 1 27 27 ASN CA C 13 50.699 0.300 . 1 . . . . 27 ASN CA . 11125 1 236 . 1 1 27 27 ASN CB C 13 40.636 0.300 . 1 . . . . 27 ASN CB . 11125 1 237 . 1 1 27 27 ASN N N 15 123.530 0.300 . 1 . . . . 27 ASN N . 11125 1 238 . 1 1 27 27 ASN ND2 N 15 113.073 0.300 . 1 . . . . 27 ASN ND2 . 11125 1 239 . 1 1 28 28 TRP H H 1 8.042 0.030 . 1 . . . . 28 TRP H . 11125 1 240 . 1 1 28 28 TRP HA H 1 5.169 0.030 . 1 . . . . 28 TRP HA . 11125 1 241 . 1 1 28 28 TRP HB2 H 1 3.484 0.030 . 2 . . . . 28 TRP HB2 . 11125 1 242 . 1 1 28 28 TRP HB3 H 1 3.000 0.030 . 2 . . . . 28 TRP HB3 . 11125 1 243 . 1 1 28 28 TRP HD1 H 1 6.231 0.030 . 1 . . . . 28 TRP HD1 . 11125 1 244 . 1 1 28 28 TRP HE1 H 1 7.325 0.030 . 1 . . . . 28 TRP HE1 . 11125 1 245 . 1 1 28 28 TRP HE3 H 1 6.815 0.030 . 1 . . . . 28 TRP HE3 . 11125 1 246 . 1 1 28 28 TRP HH2 H 1 6.128 0.030 . 1 . . . . 28 TRP HH2 . 11125 1 247 . 1 1 28 28 TRP HZ2 H 1 7.133 0.030 . 1 . . . . 28 TRP HZ2 . 11125 1 248 . 1 1 28 28 TRP HZ3 H 1 6.433 0.030 . 1 . . . . 28 TRP HZ3 . 11125 1 249 . 1 1 28 28 TRP C C 13 170.363 0.300 . 1 . . . . 28 TRP C . 11125 1 250 . 1 1 28 28 TRP CA C 13 54.420 0.300 . 1 . . . . 28 TRP CA . 11125 1 251 . 1 1 28 28 TRP CB C 13 27.782 0.300 . 1 . . . . 28 TRP CB . 11125 1 252 . 1 1 28 28 TRP CD1 C 13 123.937 0.300 . 1 . . . . 28 TRP CD1 . 11125 1 253 . 1 1 28 28 TRP CE3 C 13 116.766 0.300 . 1 . . . . 28 TRP CE3 . 11125 1 254 . 1 1 28 28 TRP CH2 C 13 120.469 0.300 . 1 . . . . 28 TRP CH2 . 11125 1 255 . 1 1 28 28 TRP CZ2 C 13 112.933 0.300 . 1 . . . . 28 TRP CZ2 . 11125 1 256 . 1 1 28 28 TRP CZ3 C 13 119.283 0.300 . 1 . . . . 28 TRP CZ3 . 11125 1 257 . 1 1 28 28 TRP N N 15 119.984 0.300 . 1 . . . . 28 TRP N . 11125 1 258 . 1 1 28 28 TRP NE1 N 15 129.856 0.300 . 1 . . . . 28 TRP NE1 . 11125 1 259 . 1 1 29 29 GLU H H 1 8.178 0.030 . 1 . . . . 29 GLU H . 11125 1 260 . 1 1 29 29 GLU HA H 1 4.628 0.030 . 1 . . . . 29 GLU HA . 11125 1 261 . 1 1 29 29 GLU HB2 H 1 1.972 0.030 . 2 . . . . 29 GLU HB2 . 11125 1 262 . 1 1 29 29 GLU HB3 H 1 1.733 0.030 . 2 . . . . 29 GLU HB3 . 11125 1 263 . 1 1 29 29 GLU HG2 H 1 2.064 0.030 . 2 . . . . 29 GLU HG2 . 11125 1 264 . 1 1 29 29 GLU HG3 H 1 2.099 0.030 . 2 . . . . 29 GLU HG3 . 11125 1 265 . 1 1 29 29 GLU C C 13 173.558 0.300 . 1 . . . . 29 GLU C . 11125 1 266 . 1 1 29 29 GLU CA C 13 52.004 0.300 . 1 . . . . 29 GLU CA . 11125 1 267 . 1 1 29 29 GLU CB C 13 31.876 0.300 . 1 . . . . 29 GLU CB . 11125 1 268 . 1 1 29 29 GLU CG C 13 34.255 0.300 . 1 . . . . 29 GLU CG . 11125 1 269 . 1 1 29 29 GLU N N 15 115.470 0.300 . 1 . . . . 29 GLU N . 11125 1 270 . 1 1 30 30 VAL H H 1 8.202 0.030 . 1 . . . . 30 VAL H . 11125 1 271 . 1 1 30 30 VAL HA H 1 4.706 0.030 . 1 . . . . 30 VAL HA . 11125 1 272 . 1 1 30 30 VAL HB H 1 1.988 0.030 . 1 . . . . 30 VAL HB . 11125 1 273 . 1 1 30 30 VAL HG11 H 1 1.068 0.030 . 1 . . . . 30 VAL HG1 . 11125 1 274 . 1 1 30 30 VAL HG12 H 1 1.068 0.030 . 1 . . . . 30 VAL HG1 . 11125 1 275 . 1 1 30 30 VAL HG13 H 1 1.068 0.030 . 1 . . . . 30 VAL HG1 . 11125 1 276 . 1 1 30 30 VAL HG21 H 1 1.146 0.030 . 1 . . . . 30 VAL HG2 . 11125 1 277 . 1 1 30 30 VAL HG22 H 1 1.146 0.030 . 1 . . . . 30 VAL HG2 . 11125 1 278 . 1 1 30 30 VAL HG23 H 1 1.146 0.030 . 1 . . . . 30 VAL HG2 . 11125 1 279 . 1 1 30 30 VAL C C 13 173.856 0.300 . 1 . . . . 30 VAL C . 11125 1 280 . 1 1 30 30 VAL CA C 13 57.470 0.300 . 1 . . . . 30 VAL CA . 11125 1 281 . 1 1 30 30 VAL CB C 13 30.905 0.300 . 1 . . . . 30 VAL CB . 11125 1 282 . 1 1 30 30 VAL CG1 C 13 17.815 0.300 . 2 . . . . 30 VAL CG1 . 11125 1 283 . 1 1 30 30 VAL CG2 C 13 19.340 0.300 . 2 . . . . 30 VAL CG2 . 11125 1 284 . 1 1 30 30 VAL N N 15 123.004 0.300 . 1 . . . . 30 VAL N . 11125 1 285 . 1 1 31 31 PRO HA H 1 4.699 0.030 . 1 . . . . 31 PRO HA . 11125 1 286 . 1 1 31 31 PRO HB2 H 1 2.061 0.030 . 2 . . . . 31 PRO HB2 . 11125 1 287 . 1 1 31 31 PRO HB3 H 1 1.852 0.030 . 2 . . . . 31 PRO HB3 . 11125 1 288 . 1 1 31 31 PRO HD2 H 1 4.044 0.030 . 2 . . . . 31 PRO HD2 . 11125 1 289 . 1 1 31 31 PRO HD3 H 1 4.306 0.030 . 2 . . . . 31 PRO HD3 . 11125 1 290 . 1 1 31 31 PRO HG2 H 1 2.045 0.030 . 2 . . . . 31 PRO HG2 . 11125 1 291 . 1 1 31 31 PRO HG3 H 1 1.719 0.030 . 2 . . . . 31 PRO HG3 . 11125 1 292 . 1 1 31 31 PRO C C 13 173.639 0.300 . 1 . . . . 31 PRO C . 11125 1 293 . 1 1 31 31 PRO CA C 13 59.946 0.300 . 1 . . . . 31 PRO CA . 11125 1 294 . 1 1 31 31 PRO CB C 13 30.274 0.300 . 1 . . . . 31 PRO CB . 11125 1 295 . 1 1 31 31 PRO CD C 13 48.621 0.300 . 1 . . . . 31 PRO CD . 11125 1 296 . 1 1 31 31 PRO CG C 13 24.724 0.300 . 1 . . . . 31 PRO CG . 11125 1 297 . 1 1 32 32 LEU H H 1 8.188 0.030 . 1 . . . . 32 LEU H . 11125 1 298 . 1 1 32 32 LEU HA H 1 4.058 0.030 . 1 . . . . 32 LEU HA . 11125 1 299 . 1 1 32 32 LEU HB2 H 1 1.659 0.030 . 2 . . . . 32 LEU HB2 . 11125 1 300 . 1 1 32 32 LEU HB3 H 1 1.479 0.030 . 2 . . . . 32 LEU HB3 . 11125 1 301 . 1 1 32 32 LEU HD11 H 1 0.888 0.030 . 1 . . . . 32 LEU HD1 . 11125 1 302 . 1 1 32 32 LEU HD12 H 1 0.888 0.030 . 1 . . . . 32 LEU HD1 . 11125 1 303 . 1 1 32 32 LEU HD13 H 1 0.888 0.030 . 1 . . . . 32 LEU HD1 . 11125 1 304 . 1 1 32 32 LEU HD21 H 1 0.845 0.030 . 1 . . . . 32 LEU HD2 . 11125 1 305 . 1 1 32 32 LEU HD22 H 1 0.845 0.030 . 1 . . . . 32 LEU HD2 . 11125 1 306 . 1 1 32 32 LEU HD23 H 1 0.845 0.030 . 1 . . . . 32 LEU HD2 . 11125 1 307 . 1 1 32 32 LEU HG H 1 1.651 0.030 . 1 . . . . 32 LEU HG . 11125 1 308 . 1 1 32 32 LEU C C 13 175.216 0.300 . 1 . . . . 32 LEU C . 11125 1 309 . 1 1 32 32 LEU CA C 13 53.966 0.300 . 1 . . . . 32 LEU CA . 11125 1 310 . 1 1 32 32 LEU CB C 13 39.208 0.300 . 1 . . . . 32 LEU CB . 11125 1 311 . 1 1 32 32 LEU CD1 C 13 22.700 0.300 . 2 . . . . 32 LEU CD1 . 11125 1 312 . 1 1 32 32 LEU CD2 C 13 21.228 0.300 . 2 . . . . 32 LEU CD2 . 11125 1 313 . 1 1 32 32 LEU CG C 13 24.776 0.300 . 1 . . . . 32 LEU CG . 11125 1 314 . 1 1 32 32 LEU N N 15 119.651 0.300 . 1 . . . . 32 LEU N . 11125 1 315 . 1 1 33 33 SER H H 1 8.175 0.030 . 1 . . . . 33 SER H . 11125 1 316 . 1 1 33 33 SER HA H 1 4.292 0.030 . 1 . . . . 33 SER HA . 11125 1 317 . 1 1 33 33 SER HB2 H 1 3.873 0.030 . 2 . . . . 33 SER HB2 . 11125 1 318 . 1 1 33 33 SER HB3 H 1 3.707 0.030 . 2 . . . . 33 SER HB3 . 11125 1 319 . 1 1 33 33 SER C C 13 172.594 0.300 . 1 . . . . 33 SER C . 11125 1 320 . 1 1 33 33 SER CA C 13 55.941 0.300 . 1 . . . . 33 SER CA . 11125 1 321 . 1 1 33 33 SER CB C 13 61.581 0.300 . 1 . . . . 33 SER CB . 11125 1 322 . 1 1 33 33 SER N N 15 115.061 0.300 . 1 . . . . 33 SER N . 11125 1 323 . 1 1 34 34 ASN H H 1 8.526 0.030 . 1 . . . . 34 ASN H . 11125 1 324 . 1 1 34 34 ASN HA H 1 4.538 0.030 . 1 . . . . 34 ASN HA . 11125 1 325 . 1 1 34 34 ASN HB2 H 1 2.749 0.030 . 1 . . . . 34 ASN HB2 . 11125 1 326 . 1 1 34 34 ASN HB3 H 1 2.749 0.030 . 1 . . . . 34 ASN HB3 . 11125 1 327 . 1 1 34 34 ASN HD21 H 1 7.014 0.030 . 2 . . . . 34 ASN HD21 . 11125 1 328 . 1 1 34 34 ASN HD22 H 1 7.551 0.030 . 2 . . . . 34 ASN HD22 . 11125 1 329 . 1 1 34 34 ASN C C 13 173.815 0.300 . 1 . . . . 34 ASN C . 11125 1 330 . 1 1 34 34 ASN CA C 13 51.438 0.300 . 1 . . . . 34 ASN CA . 11125 1 331 . 1 1 34 34 ASN CB C 13 35.962 0.300 . 1 . . . . 34 ASN CB . 11125 1 332 . 1 1 34 34 ASN N N 15 120.739 0.300 . 1 . . . . 34 ASN N . 11125 1 333 . 1 1 34 34 ASN ND2 N 15 113.804 0.300 . 1 . . . . 34 ASN ND2 . 11125 1 334 . 1 1 35 35 GLY H H 1 8.332 0.030 . 1 . . . . 35 GLY H . 11125 1 335 . 1 1 35 35 GLY HA2 H 1 4.147 0.030 . 2 . . . . 35 GLY HA2 . 11125 1 336 . 1 1 35 35 GLY HA3 H 1 3.584 0.030 . 2 . . . . 35 GLY HA3 . 11125 1 337 . 1 1 35 35 GLY C C 13 171.914 0.300 . 1 . . . . 35 GLY C . 11125 1 338 . 1 1 35 35 GLY CA C 13 43.528 0.300 . 1 . . . . 35 GLY CA . 11125 1 339 . 1 1 35 35 GLY N N 15 107.898 0.300 . 1 . . . . 35 GLY N . 11125 1 340 . 1 1 36 36 THR H H 1 7.383 0.030 . 1 . . . . 36 THR H . 11125 1 341 . 1 1 36 36 THR HA H 1 4.336 0.030 . 1 . . . . 36 THR HA . 11125 1 342 . 1 1 36 36 THR HB H 1 4.006 0.030 . 1 . . . . 36 THR HB . 11125 1 343 . 1 1 36 36 THR HG21 H 1 1.042 0.030 . 1 . . . . 36 THR HG2 . 11125 1 344 . 1 1 36 36 THR HG22 H 1 1.042 0.030 . 1 . . . . 36 THR HG2 . 11125 1 345 . 1 1 36 36 THR HG23 H 1 1.042 0.030 . 1 . . . . 36 THR HG2 . 11125 1 346 . 1 1 36 36 THR C C 13 171.129 0.300 . 1 . . . . 36 THR C . 11125 1 347 . 1 1 36 36 THR CA C 13 59.044 0.300 . 1 . . . . 36 THR CA . 11125 1 348 . 1 1 36 36 THR CB C 13 67.449 0.300 . 1 . . . . 36 THR CB . 11125 1 349 . 1 1 36 36 THR CG2 C 13 19.103 0.300 . 1 . . . . 36 THR CG2 . 11125 1 350 . 1 1 36 36 THR N N 15 113.983 0.300 . 1 . . . . 36 THR N . 11125 1 351 . 1 1 37 37 ASP H H 1 8.296 0.030 . 1 . . . . 37 ASP H . 11125 1 352 . 1 1 37 37 ASP HA H 1 4.501 0.030 . 1 . . . . 37 ASP HA . 11125 1 353 . 1 1 37 37 ASP HB2 H 1 2.512 0.030 . 2 . . . . 37 ASP HB2 . 11125 1 354 . 1 1 37 37 ASP HB3 H 1 2.376 0.030 . 2 . . . . 37 ASP HB3 . 11125 1 355 . 1 1 37 37 ASP C C 13 173.526 0.300 . 1 . . . . 37 ASP C . 11125 1 356 . 1 1 37 37 ASP CA C 13 52.234 0.300 . 1 . . . . 37 ASP CA . 11125 1 357 . 1 1 37 37 ASP CB C 13 38.981 0.300 . 1 . . . . 37 ASP CB . 11125 1 358 . 1 1 37 37 ASP N N 15 123.269 0.300 . 1 . . . . 37 ASP N . 11125 1 359 . 1 1 38 38 VAL H H 1 8.338 0.030 . 1 . . . . 38 VAL H . 11125 1 360 . 1 1 38 38 VAL HA H 1 3.719 0.030 . 1 . . . . 38 VAL HA . 11125 1 361 . 1 1 38 38 VAL HB H 1 1.898 0.030 . 1 . . . . 38 VAL HB . 11125 1 362 . 1 1 38 38 VAL HG11 H 1 0.572 0.030 . 1 . . . . 38 VAL HG1 . 11125 1 363 . 1 1 38 38 VAL HG12 H 1 0.572 0.030 . 1 . . . . 38 VAL HG1 . 11125 1 364 . 1 1 38 38 VAL HG13 H 1 0.572 0.030 . 1 . . . . 38 VAL HG1 . 11125 1 365 . 1 1 38 38 VAL HG21 H 1 0.797 0.030 . 1 . . . . 38 VAL HG2 . 11125 1 366 . 1 1 38 38 VAL HG22 H 1 0.797 0.030 . 1 . . . . 38 VAL HG2 . 11125 1 367 . 1 1 38 38 VAL HG23 H 1 0.797 0.030 . 1 . . . . 38 VAL HG2 . 11125 1 368 . 1 1 38 38 VAL C C 13 174.986 0.300 . 1 . . . . 38 VAL C . 11125 1 369 . 1 1 38 38 VAL CA C 13 61.549 0.300 . 1 . . . . 38 VAL CA . 11125 1 370 . 1 1 38 38 VAL CB C 13 29.785 0.300 . 1 . . . . 38 VAL CB . 11125 1 371 . 1 1 38 38 VAL CG1 C 13 20.076 0.300 . 2 . . . . 38 VAL CG1 . 11125 1 372 . 1 1 38 38 VAL CG2 C 13 20.253 0.300 . 2 . . . . 38 VAL CG2 . 11125 1 373 . 1 1 38 38 VAL N N 15 122.191 0.300 . 1 . . . . 38 VAL N . 11125 1 374 . 1 1 39 39 THR H H 1 8.779 0.030 . 1 . . . . 39 THR H . 11125 1 375 . 1 1 39 39 THR HA H 1 4.288 0.030 . 1 . . . . 39 THR HA . 11125 1 376 . 1 1 39 39 THR HB H 1 4.012 0.030 . 1 . . . . 39 THR HB . 11125 1 377 . 1 1 39 39 THR HG21 H 1 1.025 0.030 . 1 . . . . 39 THR HG2 . 11125 1 378 . 1 1 39 39 THR HG22 H 1 1.025 0.030 . 1 . . . . 39 THR HG2 . 11125 1 379 . 1 1 39 39 THR HG23 H 1 1.025 0.030 . 1 . . . . 39 THR HG2 . 11125 1 380 . 1 1 39 39 THR C C 13 172.516 0.300 . 1 . . . . 39 THR C . 11125 1 381 . 1 1 39 39 THR CA C 13 59.140 0.300 . 1 . . . . 39 THR CA . 11125 1 382 . 1 1 39 39 THR CB C 13 66.796 0.300 . 1 . . . . 39 THR CB . 11125 1 383 . 1 1 39 39 THR CG2 C 13 21.019 0.300 . 1 . . . . 39 THR CG2 . 11125 1 384 . 1 1 39 39 THR N N 15 118.136 0.300 . 1 . . . . 39 THR N . 11125 1 385 . 1 1 40 40 GLU H H 1 7.304 0.030 . 1 . . . . 40 GLU H . 11125 1 386 . 1 1 40 40 GLU HA H 1 4.147 0.030 . 1 . . . . 40 GLU HA . 11125 1 387 . 1 1 40 40 GLU HB2 H 1 1.686 0.030 . 2 . . . . 40 GLU HB2 . 11125 1 388 . 1 1 40 40 GLU HB3 H 1 1.599 0.030 . 2 . . . . 40 GLU HB3 . 11125 1 389 . 1 1 40 40 GLU HG2 H 1 1.796 0.030 . 1 . . . . 40 GLU HG2 . 11125 1 390 . 1 1 40 40 GLU HG3 H 1 1.796 0.030 . 1 . . . . 40 GLU HG3 . 11125 1 391 . 1 1 40 40 GLU C C 13 168.510 0.300 . 1 . . . . 40 GLU C . 11125 1 392 . 1 1 40 40 GLU CA C 13 53.264 0.300 . 1 . . . . 40 GLU CA . 11125 1 393 . 1 1 40 40 GLU CB C 13 31.949 0.300 . 1 . . . . 40 GLU CB . 11125 1 394 . 1 1 40 40 GLU CG C 13 35.022 0.300 . 1 . . . . 40 GLU CG . 11125 1 395 . 1 1 40 40 GLU N N 15 120.560 0.300 . 1 . . . . 40 GLU N . 11125 1 396 . 1 1 41 41 TYR H H 1 8.973 0.030 . 1 . . . . 41 TYR H . 11125 1 397 . 1 1 41 41 TYR HA H 1 5.229 0.030 . 1 . . . . 41 TYR HA . 11125 1 398 . 1 1 41 41 TYR HB2 H 1 3.075 0.030 . 2 . . . . 41 TYR HB2 . 11125 1 399 . 1 1 41 41 TYR HB3 H 1 2.615 0.030 . 2 . . . . 41 TYR HB3 . 11125 1 400 . 1 1 41 41 TYR HD1 H 1 7.563 0.030 . 1 . . . . 41 TYR HD1 . 11125 1 401 . 1 1 41 41 TYR HD2 H 1 7.563 0.030 . 1 . . . . 41 TYR HD2 . 11125 1 402 . 1 1 41 41 TYR HE1 H 1 6.597 0.030 . 1 . . . . 41 TYR HE1 . 11125 1 403 . 1 1 41 41 TYR HE2 H 1 6.597 0.030 . 1 . . . . 41 TYR HE2 . 11125 1 404 . 1 1 41 41 TYR C C 13 172.805 0.300 . 1 . . . . 41 TYR C . 11125 1 405 . 1 1 41 41 TYR CA C 13 54.445 0.300 . 1 . . . . 41 TYR CA . 11125 1 406 . 1 1 41 41 TYR CB C 13 39.736 0.300 . 1 . . . . 41 TYR CB . 11125 1 407 . 1 1 41 41 TYR CE1 C 13 115.600 0.300 . 1 . . . . 41 TYR CE1 . 11125 1 408 . 1 1 41 41 TYR CE2 C 13 115.600 0.300 . 1 . . . . 41 TYR CE2 . 11125 1 409 . 1 1 41 41 TYR N N 15 119.342 0.300 . 1 . . . . 41 TYR N . 11125 1 410 . 1 1 42 42 ARG H H 1 8.468 0.030 . 1 . . . . 42 ARG H . 11125 1 411 . 1 1 42 42 ARG HA H 1 5.133 0.030 . 1 . . . . 42 ARG HA . 11125 1 412 . 1 1 42 42 ARG HB2 H 1 1.675 0.030 . 2 . . . . 42 ARG HB2 . 11125 1 413 . 1 1 42 42 ARG HB3 H 1 1.594 0.030 . 2 . . . . 42 ARG HB3 . 11125 1 414 . 1 1 42 42 ARG HD2 H 1 3.127 0.030 . 1 . . . . 42 ARG HD2 . 11125 1 415 . 1 1 42 42 ARG HD3 H 1 3.127 0.030 . 1 . . . . 42 ARG HD3 . 11125 1 416 . 1 1 42 42 ARG HE H 1 7.082 0.030 . 1 . . . . 42 ARG HE . 11125 1 417 . 1 1 42 42 ARG HG2 H 1 1.416 0.030 . 2 . . . . 42 ARG HG2 . 11125 1 418 . 1 1 42 42 ARG HG3 H 1 1.531 0.030 . 2 . . . . 42 ARG HG3 . 11125 1 419 . 1 1 42 42 ARG C C 13 171.197 0.300 . 1 . . . . 42 ARG C . 11125 1 420 . 1 1 42 42 ARG CA C 13 52.785 0.300 . 1 . . . . 42 ARG CA . 11125 1 421 . 1 1 42 42 ARG CB C 13 31.009 0.300 . 1 . . . . 42 ARG CB . 11125 1 422 . 1 1 42 42 ARG CD C 13 41.435 0.300 . 1 . . . . 42 ARG CD . 11125 1 423 . 1 1 42 42 ARG CG C 13 26.133 0.300 . 1 . . . . 42 ARG CG . 11125 1 424 . 1 1 42 42 ARG N N 15 116.916 0.300 . 1 . . . . 42 ARG N . 11125 1 425 . 1 1 42 42 ARG NE N 15 84.260 0.300 . 1 . . . . 42 ARG NE . 11125 1 426 . 1 1 43 43 LEU H H 1 8.807 0.030 . 1 . . . . 43 LEU H . 11125 1 427 . 1 1 43 43 LEU HA H 1 4.839 0.030 . 1 . . . . 43 LEU HA . 11125 1 428 . 1 1 43 43 LEU HB2 H 1 1.928 0.030 . 2 . . . . 43 LEU HB2 . 11125 1 429 . 1 1 43 43 LEU HB3 H 1 0.617 0.030 . 2 . . . . 43 LEU HB3 . 11125 1 430 . 1 1 43 43 LEU HD11 H 1 0.569 0.030 . 1 . . . . 43 LEU HD1 . 11125 1 431 . 1 1 43 43 LEU HD12 H 1 0.569 0.030 . 1 . . . . 43 LEU HD1 . 11125 1 432 . 1 1 43 43 LEU HD13 H 1 0.569 0.030 . 1 . . . . 43 LEU HD1 . 11125 1 433 . 1 1 43 43 LEU HD21 H 1 0.796 0.030 . 1 . . . . 43 LEU HD2 . 11125 1 434 . 1 1 43 43 LEU HD22 H 1 0.796 0.030 . 1 . . . . 43 LEU HD2 . 11125 1 435 . 1 1 43 43 LEU HD23 H 1 0.796 0.030 . 1 . . . . 43 LEU HD2 . 11125 1 436 . 1 1 43 43 LEU HG H 1 1.361 0.030 . 1 . . . . 43 LEU HG . 11125 1 437 . 1 1 43 43 LEU C C 13 172.933 0.300 . 1 . . . . 43 LEU C . 11125 1 438 . 1 1 43 43 LEU CA C 13 50.802 0.300 . 1 . . . . 43 LEU CA . 11125 1 439 . 1 1 43 43 LEU CB C 13 43.822 0.300 . 1 . . . . 43 LEU CB . 11125 1 440 . 1 1 43 43 LEU CD1 C 13 21.231 0.300 . 2 . . . . 43 LEU CD1 . 11125 1 441 . 1 1 43 43 LEU CD2 C 13 24.166 0.300 . 2 . . . . 43 LEU CD2 . 11125 1 442 . 1 1 43 43 LEU CG C 13 25.241 0.300 . 1 . . . . 43 LEU CG . 11125 1 443 . 1 1 43 43 LEU N N 15 125.832 0.300 . 1 . . . . 43 LEU N . 11125 1 444 . 1 1 44 44 GLU H H 1 9.059 0.030 . 1 . . . . 44 GLU H . 11125 1 445 . 1 1 44 44 GLU HA H 1 5.021 0.030 . 1 . . . . 44 GLU HA . 11125 1 446 . 1 1 44 44 GLU HB2 H 1 1.464 0.030 . 2 . . . . 44 GLU HB2 . 11125 1 447 . 1 1 44 44 GLU HB3 H 1 1.603 0.030 . 2 . . . . 44 GLU HB3 . 11125 1 448 . 1 1 44 44 GLU HG2 H 1 1.683 0.030 . 2 . . . . 44 GLU HG2 . 11125 1 449 . 1 1 44 44 GLU HG3 H 1 2.084 0.030 . 2 . . . . 44 GLU HG3 . 11125 1 450 . 1 1 44 44 GLU C C 13 172.561 0.300 . 1 . . . . 44 GLU C . 11125 1 451 . 1 1 44 44 GLU CA C 13 52.497 0.300 . 1 . . . . 44 GLU CA . 11125 1 452 . 1 1 44 44 GLU CB C 13 31.252 0.300 . 1 . . . . 44 GLU CB . 11125 1 453 . 1 1 44 44 GLU CG C 13 35.290 0.300 . 1 . . . . 44 GLU CG . 11125 1 454 . 1 1 44 44 GLU N N 15 126.266 0.300 . 1 . . . . 44 GLU N . 11125 1 455 . 1 1 45 45 TRP H H 1 8.800 0.030 . 1 . . . . 45 TRP H . 11125 1 456 . 1 1 45 45 TRP HA H 1 5.619 0.030 . 1 . . . . 45 TRP HA . 11125 1 457 . 1 1 45 45 TRP HB2 H 1 3.200 0.030 . 2 . . . . 45 TRP HB2 . 11125 1 458 . 1 1 45 45 TRP HB3 H 1 3.038 0.030 . 2 . . . . 45 TRP HB3 . 11125 1 459 . 1 1 45 45 TRP HD1 H 1 6.914 0.030 . 1 . . . . 45 TRP HD1 . 11125 1 460 . 1 1 45 45 TRP HE1 H 1 8.090 0.030 . 1 . . . . 45 TRP HE1 . 11125 1 461 . 1 1 45 45 TRP HE3 H 1 7.379 0.030 . 1 . . . . 45 TRP HE3 . 11125 1 462 . 1 1 45 45 TRP HH2 H 1 6.485 0.030 . 1 . . . . 45 TRP HH2 . 11125 1 463 . 1 1 45 45 TRP HZ2 H 1 6.291 0.030 . 1 . . . . 45 TRP HZ2 . 11125 1 464 . 1 1 45 45 TRP HZ3 H 1 6.734 0.030 . 1 . . . . 45 TRP HZ3 . 11125 1 465 . 1 1 45 45 TRP C C 13 174.373 0.300 . 1 . . . . 45 TRP C . 11125 1 466 . 1 1 45 45 TRP CA C 13 53.992 0.300 . 1 . . . . 45 TRP CA . 11125 1 467 . 1 1 45 45 TRP CB C 13 32.305 0.300 . 1 . . . . 45 TRP CB . 11125 1 468 . 1 1 45 45 TRP CD1 C 13 123.830 0.300 . 1 . . . . 45 TRP CD1 . 11125 1 469 . 1 1 45 45 TRP CE3 C 13 118.066 0.300 . 1 . . . . 45 TRP CE3 . 11125 1 470 . 1 1 45 45 TRP CH2 C 13 120.683 0.300 . 1 . . . . 45 TRP CH2 . 11125 1 471 . 1 1 45 45 TRP CZ2 C 13 112.415 0.300 . 1 . . . . 45 TRP CZ2 . 11125 1 472 . 1 1 45 45 TRP CZ3 C 13 118.353 0.300 . 1 . . . . 45 TRP CZ3 . 11125 1 473 . 1 1 45 45 TRP N N 15 121.058 0.300 . 1 . . . . 45 TRP N . 11125 1 474 . 1 1 45 45 TRP NE1 N 15 126.805 0.300 . 1 . . . . 45 TRP NE1 . 11125 1 475 . 1 1 46 46 GLY H H 1 8.391 0.030 . 1 . . . . 46 GLY H . 11125 1 476 . 1 1 46 46 GLY HA2 H 1 4.362 0.030 . 2 . . . . 46 GLY HA2 . 11125 1 477 . 1 1 46 46 GLY HA3 H 1 4.326 0.030 . 2 . . . . 46 GLY HA3 . 11125 1 478 . 1 1 46 46 GLY C C 13 169.145 0.300 . 1 . . . . 46 GLY C . 11125 1 479 . 1 1 46 46 GLY CA C 13 43.368 0.300 . 1 . . . . 46 GLY CA . 11125 1 480 . 1 1 46 46 GLY N N 15 115.761 0.300 . 1 . . . . 46 GLY N . 11125 1 481 . 1 1 47 47 GLY H H 1 8.605 0.030 . 1 . . . . 47 GLY H . 11125 1 482 . 1 1 47 47 GLY HA2 H 1 4.447 0.030 . 2 . . . . 47 GLY HA2 . 11125 1 483 . 1 1 47 47 GLY HA3 H 1 3.777 0.030 . 2 . . . . 47 GLY HA3 . 11125 1 484 . 1 1 47 47 GLY C C 13 171.402 0.300 . 1 . . . . 47 GLY C . 11125 1 485 . 1 1 47 47 GLY CA C 13 42.388 0.300 . 1 . . . . 47 GLY CA . 11125 1 486 . 1 1 47 47 GLY N N 15 106.363 0.300 . 1 . . . . 47 GLY N . 11125 1 487 . 1 1 48 48 VAL H H 1 7.978 0.030 . 1 . . . . 48 VAL H . 11125 1 488 . 1 1 48 48 VAL HA H 1 3.915 0.030 . 1 . . . . 48 VAL HA . 11125 1 489 . 1 1 48 48 VAL HB H 1 1.908 0.030 . 1 . . . . 48 VAL HB . 11125 1 490 . 1 1 48 48 VAL HG11 H 1 0.794 0.030 . 1 . . . . 48 VAL HG1 . 11125 1 491 . 1 1 48 48 VAL HG12 H 1 0.794 0.030 . 1 . . . . 48 VAL HG1 . 11125 1 492 . 1 1 48 48 VAL HG13 H 1 0.794 0.030 . 1 . . . . 48 VAL HG1 . 11125 1 493 . 1 1 48 48 VAL HG21 H 1 0.779 0.030 . 1 . . . . 48 VAL HG2 . 11125 1 494 . 1 1 48 48 VAL HG22 H 1 0.779 0.030 . 1 . . . . 48 VAL HG2 . 11125 1 495 . 1 1 48 48 VAL HG23 H 1 0.779 0.030 . 1 . . . . 48 VAL HG2 . 11125 1 496 . 1 1 48 48 VAL C C 13 173.752 0.300 . 1 . . . . 48 VAL C . 11125 1 497 . 1 1 48 48 VAL CA C 13 59.871 0.300 . 1 . . . . 48 VAL CA . 11125 1 498 . 1 1 48 48 VAL CB C 13 31.012 0.300 . 1 . . . . 48 VAL CB . 11125 1 499 . 1 1 48 48 VAL CG1 C 13 18.212 0.300 . 2 . . . . 48 VAL CG1 . 11125 1 500 . 1 1 48 48 VAL CG2 C 13 18.924 0.300 . 2 . . . . 48 VAL CG2 . 11125 1 501 . 1 1 48 48 VAL N N 15 117.700 0.300 . 1 . . . . 48 VAL N . 11125 1 502 . 1 1 49 49 GLU H H 1 8.316 0.030 . 1 . . . . 49 GLU H . 11125 1 503 . 1 1 49 49 GLU HA H 1 3.510 0.030 . 1 . . . . 49 GLU HA . 11125 1 504 . 1 1 49 49 GLU HB2 H 1 1.550 0.030 . 2 . . . . 49 GLU HB2 . 11125 1 505 . 1 1 49 49 GLU HB3 H 1 1.271 0.030 . 2 . . . . 49 GLU HB3 . 11125 1 506 . 1 1 49 49 GLU HG2 H 1 1.792 0.030 . 2 . . . . 49 GLU HG2 . 11125 1 507 . 1 1 49 49 GLU HG3 H 1 1.728 0.030 . 2 . . . . 49 GLU HG3 . 11125 1 508 . 1 1 49 49 GLU C C 13 174.784 0.300 . 1 . . . . 49 GLU C . 11125 1 509 . 1 1 49 49 GLU CA C 13 55.966 0.300 . 1 . . . . 49 GLU CA . 11125 1 510 . 1 1 49 49 GLU CB C 13 26.855 0.300 . 1 . . . . 49 GLU CB . 11125 1 511 . 1 1 49 49 GLU CG C 13 33.817 0.300 . 1 . . . . 49 GLU CG . 11125 1 512 . 1 1 49 49 GLU N N 15 124.565 0.300 . 1 . . . . 49 GLU N . 11125 1 513 . 1 1 50 50 GLY H H 1 7.965 0.030 . 1 . . . . 50 GLY H . 11125 1 514 . 1 1 50 50 GLY HA2 H 1 3.765 0.030 . 1 . . . . 50 GLY HA2 . 11125 1 515 . 1 1 50 50 GLY HA3 H 1 3.765 0.030 . 1 . . . . 50 GLY HA3 . 11125 1 516 . 1 1 50 50 GLY C C 13 171.767 0.300 . 1 . . . . 50 GLY C . 11125 1 517 . 1 1 50 50 GLY CA C 13 42.790 0.300 . 1 . . . . 50 GLY CA . 11125 1 518 . 1 1 50 50 GLY N N 15 106.807 0.300 . 1 . . . . 50 GLY N . 11125 1 519 . 1 1 51 51 SER H H 1 7.709 0.030 . 1 . . . . 51 SER H . 11125 1 520 . 1 1 51 51 SER HA H 1 4.532 0.030 . 1 . . . . 51 SER HA . 11125 1 521 . 1 1 51 51 SER HB2 H 1 3.753 0.030 . 2 . . . . 51 SER HB2 . 11125 1 522 . 1 1 51 51 SER HB3 H 1 3.559 0.030 . 2 . . . . 51 SER HB3 . 11125 1 523 . 1 1 51 51 SER C C 13 171.892 0.300 . 1 . . . . 51 SER C . 11125 1 524 . 1 1 51 51 SER CA C 13 54.420 0.300 . 1 . . . . 51 SER CA . 11125 1 525 . 1 1 51 51 SER CB C 13 61.339 0.300 . 1 . . . . 51 SER CB . 11125 1 526 . 1 1 51 51 SER N N 15 115.165 0.300 . 1 . . . . 51 SER N . 11125 1 527 . 1 1 52 52 MET H H 1 8.170 0.030 . 1 . . . . 52 MET H . 11125 1 528 . 1 1 52 52 MET HA H 1 4.225 0.030 . 1 . . . . 52 MET HA . 11125 1 529 . 1 1 52 52 MET HB2 H 1 1.773 0.030 . 2 . . . . 52 MET HB2 . 11125 1 530 . 1 1 52 52 MET HB3 H 1 1.568 0.030 . 2 . . . . 52 MET HB3 . 11125 1 531 . 1 1 52 52 MET HE1 H 1 1.650 0.030 . 1 . . . . 52 MET HE . 11125 1 532 . 1 1 52 52 MET HE2 H 1 1.650 0.030 . 1 . . . . 52 MET HE . 11125 1 533 . 1 1 52 52 MET HE3 H 1 1.650 0.030 . 1 . . . . 52 MET HE . 11125 1 534 . 1 1 52 52 MET HG2 H 1 2.022 0.030 . 2 . . . . 52 MET HG2 . 11125 1 535 . 1 1 52 52 MET HG3 H 1 2.341 0.030 . 2 . . . . 52 MET HG3 . 11125 1 536 . 1 1 52 52 MET C C 13 172.969 0.300 . 1 . . . . 52 MET C . 11125 1 537 . 1 1 52 52 MET CA C 13 53.831 0.300 . 1 . . . . 52 MET CA . 11125 1 538 . 1 1 52 52 MET CB C 13 32.194 0.300 . 1 . . . . 52 MET CB . 11125 1 539 . 1 1 52 52 MET CE C 13 14.552 0.300 . 1 . . . . 52 MET CE . 11125 1 540 . 1 1 52 52 MET CG C 13 29.792 0.300 . 1 . . . . 52 MET CG . 11125 1 541 . 1 1 52 52 MET N N 15 121.889 0.300 . 1 . . . . 52 MET N . 11125 1 542 . 1 1 53 53 GLN H H 1 8.080 0.030 . 1 . . . . 53 GLN H . 11125 1 543 . 1 1 53 53 GLN HA H 1 4.699 0.030 . 1 . . . . 53 GLN HA . 11125 1 544 . 1 1 53 53 GLN HB2 H 1 2.096 0.030 . 2 . . . . 53 GLN HB2 . 11125 1 545 . 1 1 53 53 GLN HB3 H 1 1.969 0.030 . 2 . . . . 53 GLN HB3 . 11125 1 546 . 1 1 53 53 GLN HE21 H 1 7.397 0.030 . 2 . . . . 53 GLN HE21 . 11125 1 547 . 1 1 53 53 GLN HE22 H 1 6.790 0.030 . 2 . . . . 53 GLN HE22 . 11125 1 548 . 1 1 53 53 GLN HG2 H 1 2.355 0.030 . 1 . . . . 53 GLN HG2 . 11125 1 549 . 1 1 53 53 GLN HG3 H 1 2.355 0.030 . 1 . . . . 53 GLN HG3 . 11125 1 550 . 1 1 53 53 GLN C C 13 173.613 0.300 . 1 . . . . 53 GLN C . 11125 1 551 . 1 1 53 53 GLN CA C 13 51.580 0.300 . 1 . . . . 53 GLN CA . 11125 1 552 . 1 1 53 53 GLN CB C 13 30.136 0.300 . 1 . . . . 53 GLN CB . 11125 1 553 . 1 1 53 53 GLN CG C 13 31.497 0.300 . 1 . . . . 53 GLN CG . 11125 1 554 . 1 1 53 53 GLN N N 15 118.455 0.300 . 1 . . . . 53 GLN N . 11125 1 555 . 1 1 53 53 GLN NE2 N 15 112.285 0.300 . 1 . . . . 53 GLN NE2 . 11125 1 556 . 1 1 54 54 ILE H H 1 8.849 0.030 . 1 . . . . 54 ILE H . 11125 1 557 . 1 1 54 54 ILE HA H 1 4.396 0.030 . 1 . . . . 54 ILE HA . 11125 1 558 . 1 1 54 54 ILE HB H 1 1.777 0.030 . 1 . . . . 54 ILE HB . 11125 1 559 . 1 1 54 54 ILE HD11 H 1 0.853 0.030 . 1 . . . . 54 ILE HD1 . 11125 1 560 . 1 1 54 54 ILE HD12 H 1 0.853 0.030 . 1 . . . . 54 ILE HD1 . 11125 1 561 . 1 1 54 54 ILE HD13 H 1 0.853 0.030 . 1 . . . . 54 ILE HD1 . 11125 1 562 . 1 1 54 54 ILE HG12 H 1 1.061 0.030 . 2 . . . . 54 ILE HG12 . 11125 1 563 . 1 1 54 54 ILE HG13 H 1 1.696 0.030 . 2 . . . . 54 ILE HG13 . 11125 1 564 . 1 1 54 54 ILE HG21 H 1 0.756 0.030 . 1 . . . . 54 ILE HG2 . 11125 1 565 . 1 1 54 54 ILE HG22 H 1 0.756 0.030 . 1 . . . . 54 ILE HG2 . 11125 1 566 . 1 1 54 54 ILE HG23 H 1 0.756 0.030 . 1 . . . . 54 ILE HG2 . 11125 1 567 . 1 1 54 54 ILE C C 13 174.399 0.300 . 1 . . . . 54 ILE C . 11125 1 568 . 1 1 54 54 ILE CA C 13 59.377 0.300 . 1 . . . . 54 ILE CA . 11125 1 569 . 1 1 54 54 ILE CB C 13 35.400 0.300 . 1 . . . . 54 ILE CB . 11125 1 570 . 1 1 54 54 ILE CD1 C 13 10.966 0.300 . 1 . . . . 54 ILE CD1 . 11125 1 571 . 1 1 54 54 ILE CG1 C 13 26.138 0.300 . 1 . . . . 54 ILE CG1 . 11125 1 572 . 1 1 54 54 ILE CG2 C 13 15.357 0.300 . 1 . . . . 54 ILE CG2 . 11125 1 573 . 1 1 54 54 ILE N N 15 123.520 0.300 . 1 . . . . 54 ILE N . 11125 1 574 . 1 1 55 55 CYS H H 1 9.112 0.030 . 1 . . . . 55 CYS H . 11125 1 575 . 1 1 55 55 CYS HA H 1 4.909 0.030 . 1 . . . . 55 CYS HA . 11125 1 576 . 1 1 55 55 CYS HB2 H 1 3.021 0.030 . 2 . . . . 55 CYS HB2 . 11125 1 577 . 1 1 55 55 CYS HB3 H 1 2.801 0.030 . 2 . . . . 55 CYS HB3 . 11125 1 578 . 1 1 55 55 CYS C C 13 170.147 0.300 . 1 . . . . 55 CYS C . 11125 1 579 . 1 1 55 55 CYS CA C 13 54.609 0.300 . 1 . . . . 55 CYS CA . 11125 1 580 . 1 1 55 55 CYS CB C 13 27.755 0.300 . 1 . . . . 55 CYS CB . 11125 1 581 . 1 1 55 55 CYS N N 15 124.129 0.300 . 1 . . . . 55 CYS N . 11125 1 582 . 1 1 56 56 TYR H H 1 7.197 0.030 . 1 . . . . 56 TYR H . 11125 1 583 . 1 1 56 56 TYR HA H 1 4.216 0.030 . 1 . . . . 56 TYR HA . 11125 1 584 . 1 1 56 56 TYR HB2 H 1 2.014 0.030 . 2 . . . . 56 TYR HB2 . 11125 1 585 . 1 1 56 56 TYR HB3 H 1 1.826 0.030 . 2 . . . . 56 TYR HB3 . 11125 1 586 . 1 1 56 56 TYR HD1 H 1 6.689 0.030 . 1 . . . . 56 TYR HD1 . 11125 1 587 . 1 1 56 56 TYR HD2 H 1 6.689 0.030 . 1 . . . . 56 TYR HD2 . 11125 1 588 . 1 1 56 56 TYR HE1 H 1 6.917 0.030 . 1 . . . . 56 TYR HE1 . 11125 1 589 . 1 1 56 56 TYR HE2 H 1 6.917 0.030 . 1 . . . . 56 TYR HE2 . 11125 1 590 . 1 1 56 56 TYR C C 13 170.218 0.300 . 1 . . . . 56 TYR C . 11125 1 591 . 1 1 56 56 TYR CA C 13 56.207 0.300 . 1 . . . . 56 TYR CA . 11125 1 592 . 1 1 56 56 TYR CB C 13 38.611 0.300 . 1 . . . . 56 TYR CB . 11125 1 593 . 1 1 56 56 TYR CD1 C 13 130.723 0.300 . 1 . . . . 56 TYR CD1 . 11125 1 594 . 1 1 56 56 TYR CD2 C 13 130.723 0.300 . 1 . . . . 56 TYR CD2 . 11125 1 595 . 1 1 56 56 TYR CE1 C 13 115.603 0.300 . 1 . . . . 56 TYR CE1 . 11125 1 596 . 1 1 56 56 TYR CE2 C 13 115.603 0.300 . 1 . . . . 56 TYR CE2 . 11125 1 597 . 1 1 56 56 TYR N N 15 120.989 0.300 . 1 . . . . 56 TYR N . 11125 1 598 . 1 1 57 57 CYS H H 1 7.493 0.030 . 1 . . . . 57 CYS H . 11125 1 599 . 1 1 57 57 CYS HA H 1 5.275 0.030 . 1 . . . . 57 CYS HA . 11125 1 600 . 1 1 57 57 CYS HB2 H 1 2.570 0.030 . 2 . . . . 57 CYS HB2 . 11125 1 601 . 1 1 57 57 CYS HB3 H 1 2.386 0.030 . 2 . . . . 57 CYS HB3 . 11125 1 602 . 1 1 57 57 CYS C C 13 171.038 0.300 . 1 . . . . 57 CYS C . 11125 1 603 . 1 1 57 57 CYS CA C 13 53.749 0.300 . 1 . . . . 57 CYS CA . 11125 1 604 . 1 1 57 57 CYS CB C 13 25.886 0.300 . 1 . . . . 57 CYS CB . 11125 1 605 . 1 1 57 57 CYS N N 15 126.802 0.300 . 1 . . . . 57 CYS N . 11125 1 606 . 1 1 58 58 GLY H H 1 8.497 0.030 . 1 . . . . 58 GLY H . 11125 1 607 . 1 1 58 58 GLY HA2 H 1 4.200 0.030 . 1 . . . . 58 GLY HA2 . 11125 1 608 . 1 1 58 58 GLY HA3 H 1 4.200 0.030 . 1 . . . . 58 GLY HA3 . 11125 1 609 . 1 1 58 58 GLY C C 13 169.290 0.300 . 1 . . . . 58 GLY C . 11125 1 610 . 1 1 58 58 GLY CA C 13 43.730 0.300 . 1 . . . . 58 GLY CA . 11125 1 611 . 1 1 58 58 GLY N N 15 114.873 0.300 . 1 . . . . 58 GLY N . 11125 1 612 . 1 1 59 59 PRO HA H 1 4.843 0.030 . 1 . . . . 59 PRO HA . 11125 1 613 . 1 1 59 59 PRO HB2 H 1 2.298 0.030 . 2 . . . . 59 PRO HB2 . 11125 1 614 . 1 1 59 59 PRO HB3 H 1 2.193 0.030 . 2 . . . . 59 PRO HB3 . 11125 1 615 . 1 1 59 59 PRO HD2 H 1 3.668 0.030 . 2 . . . . 59 PRO HD2 . 11125 1 616 . 1 1 59 59 PRO HD3 H 1 3.730 0.030 . 2 . . . . 59 PRO HD3 . 11125 1 617 . 1 1 59 59 PRO HG2 H 1 1.996 0.030 . 2 . . . . 59 PRO HG2 . 11125 1 618 . 1 1 59 59 PRO HG3 H 1 2.136 0.030 . 2 . . . . 59 PRO HG3 . 11125 1 619 . 1 1 59 59 PRO C C 13 174.342 0.300 . 1 . . . . 59 PRO C . 11125 1 620 . 1 1 59 59 PRO CA C 13 61.750 0.300 . 1 . . . . 59 PRO CA . 11125 1 621 . 1 1 59 59 PRO CB C 13 30.506 0.300 . 1 . . . . 59 PRO CB . 11125 1 622 . 1 1 59 59 PRO CD C 13 46.661 0.300 . 1 . . . . 59 PRO CD . 11125 1 623 . 1 1 59 59 PRO CG C 13 23.919 0.300 . 1 . . . . 59 PRO CG . 11125 1 624 . 1 1 60 60 GLY H H 1 8.571 0.030 . 1 . . . . 60 GLY H . 11125 1 625 . 1 1 60 60 GLY HA2 H 1 4.003 0.030 . 2 . . . . 60 GLY HA2 . 11125 1 626 . 1 1 60 60 GLY HA3 H 1 3.779 0.030 . 2 . . . . 60 GLY HA3 . 11125 1 627 . 1 1 60 60 GLY C C 13 167.218 0.300 . 1 . . . . 60 GLY C . 11125 1 628 . 1 1 60 60 GLY CA C 13 42.263 0.300 . 1 . . . . 60 GLY CA . 11125 1 629 . 1 1 60 60 GLY N N 15 109.935 0.300 . 1 . . . . 60 GLY N . 11125 1 630 . 1 1 61 61 LEU H H 1 6.969 0.030 . 1 . . . . 61 LEU H . 11125 1 631 . 1 1 61 61 LEU HA H 1 2.929 0.030 . 1 . . . . 61 LEU HA . 11125 1 632 . 1 1 61 61 LEU HB2 H 1 1.323 0.030 . 2 . . . . 61 LEU HB2 . 11125 1 633 . 1 1 61 61 LEU HB3 H 1 0.754 0.030 . 2 . . . . 61 LEU HB3 . 11125 1 634 . 1 1 61 61 LEU HD11 H 1 0.675 0.030 . 1 . . . . 61 LEU HD1 . 11125 1 635 . 1 1 61 61 LEU HD12 H 1 0.675 0.030 . 1 . . . . 61 LEU HD1 . 11125 1 636 . 1 1 61 61 LEU HD13 H 1 0.675 0.030 . 1 . . . . 61 LEU HD1 . 11125 1 637 . 1 1 61 61 LEU HD21 H 1 0.297 0.030 . 1 . . . . 61 LEU HD2 . 11125 1 638 . 1 1 61 61 LEU HD22 H 1 0.297 0.030 . 1 . . . . 61 LEU HD2 . 11125 1 639 . 1 1 61 61 LEU HD23 H 1 0.297 0.030 . 1 . . . . 61 LEU HD2 . 11125 1 640 . 1 1 61 61 LEU HG H 1 1.153 0.030 . 1 . . . . 61 LEU HG . 11125 1 641 . 1 1 61 61 LEU C C 13 172.810 0.300 . 1 . . . . 61 LEU C . 11125 1 642 . 1 1 61 61 LEU CA C 13 50.342 0.300 . 1 . . . . 61 LEU CA . 11125 1 643 . 1 1 61 61 LEU CB C 13 39.819 0.300 . 1 . . . . 61 LEU CB . 11125 1 644 . 1 1 61 61 LEU CD1 C 13 23.431 0.300 . 2 . . . . 61 LEU CD1 . 11125 1 645 . 1 1 61 61 LEU CD2 C 13 20.998 0.300 . 2 . . . . 61 LEU CD2 . 11125 1 646 . 1 1 61 61 LEU CG C 13 24.727 0.300 . 1 . . . . 61 LEU CG . 11125 1 647 . 1 1 61 61 LEU N N 15 111.592 0.300 . 1 . . . . 61 LEU N . 11125 1 648 . 1 1 62 62 SER H H 1 6.382 0.030 . 1 . . . . 62 SER H . 11125 1 649 . 1 1 62 62 SER HA H 1 4.390 0.030 . 1 . . . . 62 SER HA . 11125 1 650 . 1 1 62 62 SER HB2 H 1 3.288 0.030 . 2 . . . . 62 SER HB2 . 11125 1 651 . 1 1 62 62 SER HB3 H 1 3.214 0.030 . 2 . . . . 62 SER HB3 . 11125 1 652 . 1 1 62 62 SER C C 13 170.236 0.300 . 1 . . . . 62 SER C . 11125 1 653 . 1 1 62 62 SER CA C 13 53.526 0.300 . 1 . . . . 62 SER CA . 11125 1 654 . 1 1 62 62 SER CB C 13 63.872 0.300 . 1 . . . . 62 SER CB . 11125 1 655 . 1 1 62 62 SER N N 15 109.883 0.300 . 1 . . . . 62 SER N . 11125 1 656 . 1 1 63 63 TYR H H 1 8.646 0.030 . 1 . . . . 63 TYR H . 11125 1 657 . 1 1 63 63 TYR HA H 1 4.215 0.030 . 1 . . . . 63 TYR HA . 11125 1 658 . 1 1 63 63 TYR HB2 H 1 2.683 0.030 . 2 . . . . 63 TYR HB2 . 11125 1 659 . 1 1 63 63 TYR HB3 H 1 2.095 0.030 . 2 . . . . 63 TYR HB3 . 11125 1 660 . 1 1 63 63 TYR HD1 H 1 6.597 0.030 . 1 . . . . 63 TYR HD1 . 11125 1 661 . 1 1 63 63 TYR HD2 H 1 6.597 0.030 . 1 . . . . 63 TYR HD2 . 11125 1 662 . 1 1 63 63 TYR HE1 H 1 6.664 0.030 . 1 . . . . 63 TYR HE1 . 11125 1 663 . 1 1 63 63 TYR HE2 H 1 6.664 0.030 . 1 . . . . 63 TYR HE2 . 11125 1 664 . 1 1 63 63 TYR C C 13 169.758 0.300 . 1 . . . . 63 TYR C . 11125 1 665 . 1 1 63 63 TYR CA C 13 56.337 0.300 . 1 . . . . 63 TYR CA . 11125 1 666 . 1 1 63 63 TYR CB C 13 39.901 0.300 . 1 . . . . 63 TYR CB . 11125 1 667 . 1 1 63 63 TYR CD1 C 13 130.328 0.300 . 1 . . . . 63 TYR CD1 . 11125 1 668 . 1 1 63 63 TYR CD2 C 13 130.328 0.300 . 1 . . . . 63 TYR CD2 . 11125 1 669 . 1 1 63 63 TYR CE1 C 13 116.369 0.300 . 1 . . . . 63 TYR CE1 . 11125 1 670 . 1 1 63 63 TYR CE2 C 13 116.369 0.300 . 1 . . . . 63 TYR CE2 . 11125 1 671 . 1 1 63 63 TYR N N 15 120.396 0.300 . 1 . . . . 63 TYR N . 11125 1 672 . 1 1 64 64 GLU H H 1 6.757 0.030 . 1 . . . . 64 GLU H . 11125 1 673 . 1 1 64 64 GLU HA H 1 4.653 0.030 . 1 . . . . 64 GLU HA . 11125 1 674 . 1 1 64 64 GLU HB2 H 1 1.477 0.030 . 1 . . . . 64 GLU HB2 . 11125 1 675 . 1 1 64 64 GLU HB3 H 1 1.477 0.030 . 1 . . . . 64 GLU HB3 . 11125 1 676 . 1 1 64 64 GLU HG2 H 1 1.712 0.030 . 2 . . . . 64 GLU HG2 . 11125 1 677 . 1 1 64 64 GLU HG3 H 1 1.474 0.030 . 2 . . . . 64 GLU HG3 . 11125 1 678 . 1 1 64 64 GLU C C 13 170.637 0.300 . 1 . . . . 64 GLU C . 11125 1 679 . 1 1 64 64 GLU CA C 13 52.216 0.300 . 1 . . . . 64 GLU CA . 11125 1 680 . 1 1 64 64 GLU CB C 13 29.304 0.300 . 1 . . . . 64 GLU CB . 11125 1 681 . 1 1 64 64 GLU CG C 13 34.980 0.300 . 1 . . . . 64 GLU CG . 11125 1 682 . 1 1 64 64 GLU N N 15 126.843 0.300 . 1 . . . . 64 GLU N . 11125 1 683 . 1 1 65 65 ILE H H 1 8.602 0.030 . 1 . . . . 65 ILE H . 11125 1 684 . 1 1 65 65 ILE HA H 1 3.742 0.030 . 1 . . . . 65 ILE HA . 11125 1 685 . 1 1 65 65 ILE HB H 1 0.817 0.030 . 1 . . . . 65 ILE HB . 11125 1 686 . 1 1 65 65 ILE HD11 H 1 -0.295 0.030 . 1 . . . . 65 ILE HD1 . 11125 1 687 . 1 1 65 65 ILE HD12 H 1 -0.295 0.030 . 1 . . . . 65 ILE HD1 . 11125 1 688 . 1 1 65 65 ILE HD13 H 1 -0.295 0.030 . 1 . . . . 65 ILE HD1 . 11125 1 689 . 1 1 65 65 ILE HG12 H 1 0.304 0.030 . 2 . . . . 65 ILE HG12 . 11125 1 690 . 1 1 65 65 ILE HG13 H 1 0.704 0.030 . 2 . . . . 65 ILE HG13 . 11125 1 691 . 1 1 65 65 ILE HG21 H 1 -0.067 0.030 . 1 . . . . 65 ILE HG2 . 11125 1 692 . 1 1 65 65 ILE HG22 H 1 -0.067 0.030 . 1 . . . . 65 ILE HG2 . 11125 1 693 . 1 1 65 65 ILE HG23 H 1 -0.067 0.030 . 1 . . . . 65 ILE HG2 . 11125 1 694 . 1 1 65 65 ILE C C 13 171.565 0.300 . 1 . . . . 65 ILE C . 11125 1 695 . 1 1 65 65 ILE CA C 13 57.906 0.300 . 1 . . . . 65 ILE CA . 11125 1 696 . 1 1 65 65 ILE CB C 13 37.118 0.300 . 1 . . . . 65 ILE CB . 11125 1 697 . 1 1 65 65 ILE CD1 C 13 10.966 0.300 . 1 . . . . 65 ILE CD1 . 11125 1 698 . 1 1 65 65 ILE CG1 C 13 25.877 0.300 . 1 . . . . 65 ILE CG1 . 11125 1 699 . 1 1 65 65 ILE CG2 C 13 14.872 0.300 . 1 . . . . 65 ILE CG2 . 11125 1 700 . 1 1 65 65 ILE N N 15 126.507 0.300 . 1 . . . . 65 ILE N . 11125 1 701 . 1 1 66 66 LYS H H 1 7.868 0.030 . 1 . . . . 66 LYS H . 11125 1 702 . 1 1 66 66 LYS HA H 1 4.852 0.030 . 1 . . . . 66 LYS HA . 11125 1 703 . 1 1 66 66 LYS HB2 H 1 1.765 0.030 . 2 . . . . 66 LYS HB2 . 11125 1 704 . 1 1 66 66 LYS HB3 H 1 1.497 0.030 . 2 . . . . 66 LYS HB3 . 11125 1 705 . 1 1 66 66 LYS HD2 H 1 1.454 0.030 . 1 . . . . 66 LYS HD2 . 11125 1 706 . 1 1 66 66 LYS HD3 H 1 1.454 0.030 . 1 . . . . 66 LYS HD3 . 11125 1 707 . 1 1 66 66 LYS HE2 H 1 2.731 0.030 . 1 . . . . 66 LYS HE2 . 11125 1 708 . 1 1 66 66 LYS HE3 H 1 2.731 0.030 . 1 . . . . 66 LYS HE3 . 11125 1 709 . 1 1 66 66 LYS HG2 H 1 1.222 0.030 . 2 . . . . 66 LYS HG2 . 11125 1 710 . 1 1 66 66 LYS HG3 H 1 1.109 0.030 . 2 . . . . 66 LYS HG3 . 11125 1 711 . 1 1 66 66 LYS C C 13 174.005 0.300 . 1 . . . . 66 LYS C . 11125 1 712 . 1 1 66 66 LYS CA C 13 52.048 0.300 . 1 . . . . 66 LYS CA . 11125 1 713 . 1 1 66 66 LYS CB C 13 32.466 0.300 . 1 . . . . 66 LYS CB . 11125 1 714 . 1 1 66 66 LYS CD C 13 26.971 0.300 . 1 . . . . 66 LYS CD . 11125 1 715 . 1 1 66 66 LYS CE C 13 39.660 0.300 . 1 . . . . 66 LYS CE . 11125 1 716 . 1 1 66 66 LYS CG C 13 23.126 0.300 . 1 . . . . 66 LYS CG . 11125 1 717 . 1 1 66 66 LYS N N 15 124.514 0.300 . 1 . . . . 66 LYS N . 11125 1 718 . 1 1 67 67 GLY H H 1 8.289 0.030 . 1 . . . . 67 GLY H . 11125 1 719 . 1 1 67 67 GLY HA2 H 1 3.866 0.030 . 2 . . . . 67 GLY HA2 . 11125 1 720 . 1 1 67 67 GLY HA3 H 1 3.721 0.030 . 2 . . . . 67 GLY HA3 . 11125 1 721 . 1 1 67 67 GLY C C 13 173.427 0.300 . 1 . . . . 67 GLY C . 11125 1 722 . 1 1 67 67 GLY CA C 13 43.797 0.300 . 1 . . . . 67 GLY CA . 11125 1 723 . 1 1 67 67 GLY N N 15 106.815 0.300 . 1 . . . . 67 GLY N . 11125 1 724 . 1 1 68 68 LEU H H 1 8.355 0.030 . 1 . . . . 68 LEU H . 11125 1 725 . 1 1 68 68 LEU HA H 1 4.199 0.030 . 1 . . . . 68 LEU HA . 11125 1 726 . 1 1 68 68 LEU HB2 H 1 1.479 0.030 . 2 . . . . 68 LEU HB2 . 11125 1 727 . 1 1 68 68 LEU HB3 H 1 1.236 0.030 . 2 . . . . 68 LEU HB3 . 11125 1 728 . 1 1 68 68 LEU HD11 H 1 0.323 0.030 . 1 . . . . 68 LEU HD1 . 11125 1 729 . 1 1 68 68 LEU HD12 H 1 0.323 0.030 . 1 . . . . 68 LEU HD1 . 11125 1 730 . 1 1 68 68 LEU HD13 H 1 0.323 0.030 . 1 . . . . 68 LEU HD1 . 11125 1 731 . 1 1 68 68 LEU HD21 H 1 0.131 0.030 . 1 . . . . 68 LEU HD2 . 11125 1 732 . 1 1 68 68 LEU HD22 H 1 0.131 0.030 . 1 . . . . 68 LEU HD2 . 11125 1 733 . 1 1 68 68 LEU HD23 H 1 0.131 0.030 . 1 . . . . 68 LEU HD2 . 11125 1 734 . 1 1 68 68 LEU HG H 1 1.034 0.030 . 1 . . . . 68 LEU HG . 11125 1 735 . 1 1 68 68 LEU C C 13 173.289 0.300 . 1 . . . . 68 LEU C . 11125 1 736 . 1 1 68 68 LEU CA C 13 51.324 0.300 . 1 . . . . 68 LEU CA . 11125 1 737 . 1 1 68 68 LEU CB C 13 38.602 0.300 . 1 . . . . 68 LEU CB . 11125 1 738 . 1 1 68 68 LEU CD1 C 13 24.152 0.300 . 2 . . . . 68 LEU CD1 . 11125 1 739 . 1 1 68 68 LEU CD2 C 13 18.539 0.300 . 2 . . . . 68 LEU CD2 . 11125 1 740 . 1 1 68 68 LEU CG C 13 24.273 0.300 . 1 . . . . 68 LEU CG . 11125 1 741 . 1 1 68 68 LEU N N 15 118.744 0.300 . 1 . . . . 68 LEU N . 11125 1 742 . 1 1 69 69 SER H H 1 8.465 0.030 . 1 . . . . 69 SER H . 11125 1 743 . 1 1 69 69 SER HA H 1 4.937 0.030 . 1 . . . . 69 SER HA . 11125 1 744 . 1 1 69 69 SER HB2 H 1 3.741 0.030 . 2 . . . . 69 SER HB2 . 11125 1 745 . 1 1 69 69 SER HB3 H 1 3.799 0.030 . 2 . . . . 69 SER HB3 . 11125 1 746 . 1 1 69 69 SER C C 13 169.290 0.300 . 1 . . . . 69 SER C . 11125 1 747 . 1 1 69 69 SER CA C 13 53.755 0.300 . 1 . . . . 69 SER CA . 11125 1 748 . 1 1 69 69 SER CB C 13 61.829 0.300 . 1 . . . . 69 SER CB . 11125 1 749 . 1 1 69 69 SER N N 15 115.758 0.300 . 1 . . . . 69 SER N . 11125 1 750 . 1 1 70 70 PRO HA H 1 4.699 0.030 . 1 . . . . 70 PRO HA . 11125 1 751 . 1 1 70 70 PRO HB2 H 1 2.420 0.030 . 2 . . . . 70 PRO HB2 . 11125 1 752 . 1 1 70 70 PRO HB3 H 1 1.803 0.030 . 2 . . . . 70 PRO HB3 . 11125 1 753 . 1 1 70 70 PRO HD2 H 1 3.563 0.030 . 2 . . . . 70 PRO HD2 . 11125 1 754 . 1 1 70 70 PRO HD3 H 1 3.785 0.030 . 2 . . . . 70 PRO HD3 . 11125 1 755 . 1 1 70 70 PRO HG2 H 1 1.956 0.030 . 2 . . . . 70 PRO HG2 . 11125 1 756 . 1 1 70 70 PRO HG3 H 1 1.720 0.030 . 2 . . . . 70 PRO HG3 . 11125 1 757 . 1 1 70 70 PRO C C 13 174.705 0.300 . 1 . . . . 70 PRO C . 11125 1 758 . 1 1 70 70 PRO CA C 13 60.299 0.300 . 1 . . . . 70 PRO CA . 11125 1 759 . 1 1 70 70 PRO CB C 13 30.875 0.300 . 1 . . . . 70 PRO CB . 11125 1 760 . 1 1 70 70 PRO CD C 13 48.865 0.300 . 1 . . . . 70 PRO CD . 11125 1 761 . 1 1 70 70 PRO CG C 13 24.913 0.300 . 1 . . . . 70 PRO CG . 11125 1 762 . 1 1 71 71 ALA H H 1 7.606 0.030 . 1 . . . . 71 ALA H . 11125 1 763 . 1 1 71 71 ALA HA H 1 4.082 0.030 . 1 . . . . 71 ALA HA . 11125 1 764 . 1 1 71 71 ALA HB1 H 1 1.122 0.030 . 1 . . . . 71 ALA HB . 11125 1 765 . 1 1 71 71 ALA HB2 H 1 1.122 0.030 . 1 . . . . 71 ALA HB . 11125 1 766 . 1 1 71 71 ALA HB3 H 1 1.122 0.030 . 1 . . . . 71 ALA HB . 11125 1 767 . 1 1 71 71 ALA C C 13 173.950 0.300 . 1 . . . . 71 ALA C . 11125 1 768 . 1 1 71 71 ALA CA C 13 49.774 0.300 . 1 . . . . 71 ALA CA . 11125 1 769 . 1 1 71 71 ALA CB C 13 15.190 0.300 . 1 . . . . 71 ALA CB . 11125 1 770 . 1 1 71 71 ALA N N 15 129.649 0.300 . 1 . . . . 71 ALA N . 11125 1 771 . 1 1 72 72 THR H H 1 8.328 0.030 . 1 . . . . 72 THR H . 11125 1 772 . 1 1 72 72 THR HA H 1 4.268 0.030 . 1 . . . . 72 THR HA . 11125 1 773 . 1 1 72 72 THR HB H 1 3.782 0.030 . 1 . . . . 72 THR HB . 11125 1 774 . 1 1 72 72 THR HG21 H 1 0.633 0.030 . 1 . . . . 72 THR HG2 . 11125 1 775 . 1 1 72 72 THR HG22 H 1 0.633 0.030 . 1 . . . . 72 THR HG2 . 11125 1 776 . 1 1 72 72 THR HG23 H 1 0.633 0.030 . 1 . . . . 72 THR HG2 . 11125 1 777 . 1 1 72 72 THR C C 13 168.788 0.300 . 1 . . . . 72 THR C . 11125 1 778 . 1 1 72 72 THR CA C 13 60.613 0.300 . 1 . . . . 72 THR CA . 11125 1 779 . 1 1 72 72 THR CB C 13 69.054 0.300 . 1 . . . . 72 THR CB . 11125 1 780 . 1 1 72 72 THR CG2 C 13 17.727 0.300 . 1 . . . . 72 THR CG2 . 11125 1 781 . 1 1 72 72 THR N N 15 115.403 0.300 . 1 . . . . 72 THR N . 11125 1 782 . 1 1 73 73 THR H H 1 7.794 0.030 . 1 . . . . 73 THR H . 11125 1 783 . 1 1 73 73 THR HA H 1 4.746 0.030 . 1 . . . . 73 THR HA . 11125 1 784 . 1 1 73 73 THR HB H 1 3.583 0.030 . 1 . . . . 73 THR HB . 11125 1 785 . 1 1 73 73 THR HG21 H 1 0.599 0.030 . 1 . . . . 73 THR HG2 . 11125 1 786 . 1 1 73 73 THR HG22 H 1 0.599 0.030 . 1 . . . . 73 THR HG2 . 11125 1 787 . 1 1 73 73 THR HG23 H 1 0.599 0.030 . 1 . . . . 73 THR HG2 . 11125 1 788 . 1 1 73 73 THR C C 13 169.709 0.300 . 1 . . . . 73 THR C . 11125 1 789 . 1 1 73 73 THR CA C 13 60.228 0.300 . 1 . . . . 73 THR CA . 11125 1 790 . 1 1 73 73 THR CB C 13 66.961 0.300 . 1 . . . . 73 THR CB . 11125 1 791 . 1 1 73 73 THR CG2 C 13 18.312 0.300 . 1 . . . . 73 THR CG2 . 11125 1 792 . 1 1 73 73 THR N N 15 121.574 0.300 . 1 . . . . 73 THR N . 11125 1 793 . 1 1 74 74 TYR H H 1 8.580 0.030 . 1 . . . . 74 TYR H . 11125 1 794 . 1 1 74 74 TYR HA H 1 4.352 0.030 . 1 . . . . 74 TYR HA . 11125 1 795 . 1 1 74 74 TYR HB2 H 1 1.787 0.030 . 2 . . . . 74 TYR HB2 . 11125 1 796 . 1 1 74 74 TYR HB3 H 1 1.517 0.030 . 2 . . . . 74 TYR HB3 . 11125 1 797 . 1 1 74 74 TYR HD1 H 1 6.691 0.030 . 1 . . . . 74 TYR HD1 . 11125 1 798 . 1 1 74 74 TYR HD2 H 1 6.691 0.030 . 1 . . . . 74 TYR HD2 . 11125 1 799 . 1 1 74 74 TYR HE1 H 1 6.836 0.030 . 1 . . . . 74 TYR HE1 . 11125 1 800 . 1 1 74 74 TYR HE2 H 1 6.836 0.030 . 1 . . . . 74 TYR HE2 . 11125 1 801 . 1 1 74 74 TYR C C 13 170.207 0.300 . 1 . . . . 74 TYR C . 11125 1 802 . 1 1 74 74 TYR CA C 13 53.993 0.300 . 1 . . . . 74 TYR CA . 11125 1 803 . 1 1 74 74 TYR CB C 13 41.509 0.300 . 1 . . . . 74 TYR CB . 11125 1 804 . 1 1 74 74 TYR CE1 C 13 116.026 0.300 . 1 . . . . 74 TYR CE1 . 11125 1 805 . 1 1 74 74 TYR CE2 C 13 116.026 0.300 . 1 . . . . 74 TYR CE2 . 11125 1 806 . 1 1 74 74 TYR N N 15 123.215 0.300 . 1 . . . . 74 TYR N . 11125 1 807 . 1 1 75 75 TYR H H 1 8.164 0.030 . 1 . . . . 75 TYR H . 11125 1 808 . 1 1 75 75 TYR HA H 1 5.109 0.030 . 1 . . . . 75 TYR HA . 11125 1 809 . 1 1 75 75 TYR HB2 H 1 2.572 0.030 . 2 . . . . 75 TYR HB2 . 11125 1 810 . 1 1 75 75 TYR HB3 H 1 2.101 0.030 . 2 . . . . 75 TYR HB3 . 11125 1 811 . 1 1 75 75 TYR HD1 H 1 6.525 0.030 . 1 . . . . 75 TYR HD1 . 11125 1 812 . 1 1 75 75 TYR HD2 H 1 6.525 0.030 . 1 . . . . 75 TYR HD2 . 11125 1 813 . 1 1 75 75 TYR HE1 H 1 6.431 0.030 . 1 . . . . 75 TYR HE1 . 11125 1 814 . 1 1 75 75 TYR HE2 H 1 6.431 0.030 . 1 . . . . 75 TYR HE2 . 11125 1 815 . 1 1 75 75 TYR C C 13 172.223 0.300 . 1 . . . . 75 TYR C . 11125 1 816 . 1 1 75 75 TYR CA C 13 53.514 0.300 . 1 . . . . 75 TYR CA . 11125 1 817 . 1 1 75 75 TYR CB C 13 39.991 0.300 . 1 . . . . 75 TYR CB . 11125 1 818 . 1 1 75 75 TYR CD1 C 13 130.458 0.300 . 1 . . . . 75 TYR CD1 . 11125 1 819 . 1 1 75 75 TYR CD2 C 13 130.458 0.300 . 1 . . . . 75 TYR CD2 . 11125 1 820 . 1 1 75 75 TYR CE1 C 13 115.389 0.300 . 1 . . . . 75 TYR CE1 . 11125 1 821 . 1 1 75 75 TYR CE2 C 13 115.389 0.300 . 1 . . . . 75 TYR CE2 . 11125 1 822 . 1 1 75 75 TYR N N 15 115.922 0.300 . 1 . . . . 75 TYR N . 11125 1 823 . 1 1 76 76 CYS H H 1 8.600 0.030 . 1 . . . . 76 CYS H . 11125 1 824 . 1 1 76 76 CYS HA H 1 5.491 0.030 . 1 . . . . 76 CYS HA . 11125 1 825 . 1 1 76 76 CYS HB2 H 1 3.127 0.030 . 2 . . . . 76 CYS HB2 . 11125 1 826 . 1 1 76 76 CYS HB3 H 1 3.065 0.030 . 2 . . . . 76 CYS HB3 . 11125 1 827 . 1 1 76 76 CYS C C 13 170.004 0.300 . 1 . . . . 76 CYS C . 11125 1 828 . 1 1 76 76 CYS CA C 13 54.164 0.300 . 1 . . . . 76 CYS CA . 11125 1 829 . 1 1 76 76 CYS CB C 13 30.276 0.300 . 1 . . . . 76 CYS CB . 11125 1 830 . 1 1 76 76 CYS N N 15 114.130 0.300 . 1 . . . . 76 CYS N . 11125 1 831 . 1 1 77 77 ARG H H 1 8.229 0.030 . 1 . . . . 77 ARG H . 11125 1 832 . 1 1 77 77 ARG HA H 1 4.358 0.030 . 1 . . . . 77 ARG HA . 11125 1 833 . 1 1 77 77 ARG HB2 H 1 1.810 0.030 . 1 . . . . 77 ARG HB2 . 11125 1 834 . 1 1 77 77 ARG HB3 H 1 1.810 0.030 . 1 . . . . 77 ARG HB3 . 11125 1 835 . 1 1 77 77 ARG HD2 H 1 2.491 0.030 . 1 . . . . 77 ARG HD2 . 11125 1 836 . 1 1 77 77 ARG HD3 H 1 2.491 0.030 . 1 . . . . 77 ARG HD3 . 11125 1 837 . 1 1 77 77 ARG HE H 1 6.405 0.030 . 1 . . . . 77 ARG HE . 11125 1 838 . 1 1 77 77 ARG HG2 H 1 1.330 0.030 . 2 . . . . 77 ARG HG2 . 11125 1 839 . 1 1 77 77 ARG HG3 H 1 0.977 0.030 . 2 . . . . 77 ARG HG3 . 11125 1 840 . 1 1 77 77 ARG C C 13 170.168 0.300 . 1 . . . . 77 ARG C . 11125 1 841 . 1 1 77 77 ARG CA C 13 53.528 0.300 . 1 . . . . 77 ARG CA . 11125 1 842 . 1 1 77 77 ARG CB C 13 30.545 0.300 . 1 . . . . 77 ARG CB . 11125 1 843 . 1 1 77 77 ARG CD C 13 41.279 0.300 . 1 . . . . 77 ARG CD . 11125 1 844 . 1 1 77 77 ARG CG C 13 22.136 0.300 . 1 . . . . 77 ARG CG . 11125 1 845 . 1 1 77 77 ARG N N 15 114.133 0.300 . 1 . . . . 77 ARG N . 11125 1 846 . 1 1 77 77 ARG NE N 15 83.229 0.300 . 1 . . . . 77 ARG NE . 11125 1 847 . 1 1 78 78 VAL H H 1 8.639 0.030 . 1 . . . . 78 VAL H . 11125 1 848 . 1 1 78 78 VAL HA H 1 5.585 0.030 . 1 . . . . 78 VAL HA . 11125 1 849 . 1 1 78 78 VAL HB H 1 1.191 0.030 . 1 . . . . 78 VAL HB . 11125 1 850 . 1 1 78 78 VAL HG11 H 1 0.615 0.030 . 1 . . . . 78 VAL HG1 . 11125 1 851 . 1 1 78 78 VAL HG12 H 1 0.615 0.030 . 1 . . . . 78 VAL HG1 . 11125 1 852 . 1 1 78 78 VAL HG13 H 1 0.615 0.030 . 1 . . . . 78 VAL HG1 . 11125 1 853 . 1 1 78 78 VAL HG21 H 1 -0.164 0.030 . 1 . . . . 78 VAL HG2 . 11125 1 854 . 1 1 78 78 VAL HG22 H 1 -0.164 0.030 . 1 . . . . 78 VAL HG2 . 11125 1 855 . 1 1 78 78 VAL HG23 H 1 -0.164 0.030 . 1 . . . . 78 VAL HG2 . 11125 1 856 . 1 1 78 78 VAL C C 13 169.785 0.300 . 1 . . . . 78 VAL C . 11125 1 857 . 1 1 78 78 VAL CA C 13 56.915 0.300 . 1 . . . . 78 VAL CA . 11125 1 858 . 1 1 78 78 VAL CB C 13 35.397 0.300 . 1 . . . . 78 VAL CB . 11125 1 859 . 1 1 78 78 VAL CG1 C 13 16.090 0.300 . 2 . . . . 78 VAL CG1 . 11125 1 860 . 1 1 78 78 VAL CG2 C 13 17.575 0.300 . 2 . . . . 78 VAL CG2 . 11125 1 861 . 1 1 78 78 VAL N N 15 119.649 0.300 . 1 . . . . 78 VAL N . 11125 1 862 . 1 1 79 79 GLN H H 1 8.433 0.030 . 1 . . . . 79 GLN H . 11125 1 863 . 1 1 79 79 GLN HA H 1 4.678 0.030 . 1 . . . . 79 GLN HA . 11125 1 864 . 1 1 79 79 GLN HB2 H 1 0.880 0.030 . 2 . . . . 79 GLN HB2 . 11125 1 865 . 1 1 79 79 GLN HB3 H 1 0.666 0.030 . 2 . . . . 79 GLN HB3 . 11125 1 866 . 1 1 79 79 GLN HE21 H 1 6.347 0.030 . 2 . . . . 79 GLN HE21 . 11125 1 867 . 1 1 79 79 GLN HE22 H 1 6.877 0.030 . 2 . . . . 79 GLN HE22 . 11125 1 868 . 1 1 79 79 GLN HG2 H 1 1.544 0.030 . 1 . . . . 79 GLN HG2 . 11125 1 869 . 1 1 79 79 GLN HG3 H 1 1.544 0.030 . 1 . . . . 79 GLN HG3 . 11125 1 870 . 1 1 79 79 GLN C C 13 169.673 0.300 . 1 . . . . 79 GLN C . 11125 1 871 . 1 1 79 79 GLN CA C 13 51.156 0.300 . 1 . . . . 79 GLN CA . 11125 1 872 . 1 1 79 79 GLN CB C 13 29.396 0.300 . 1 . . . . 79 GLN CB . 11125 1 873 . 1 1 79 79 GLN CG C 13 31.251 0.300 . 1 . . . . 79 GLN CG . 11125 1 874 . 1 1 79 79 GLN N N 15 125.155 0.300 . 1 . . . . 79 GLN N . 11125 1 875 . 1 1 79 79 GLN NE2 N 15 109.790 0.300 . 1 . . . . 79 GLN NE2 . 11125 1 876 . 1 1 80 80 ALA H H 1 8.378 0.030 . 1 . . . . 80 ALA H . 11125 1 877 . 1 1 80 80 ALA HA H 1 4.699 0.030 . 1 . . . . 80 ALA HA . 11125 1 878 . 1 1 80 80 ALA HB1 H 1 1.164 0.030 . 1 . . . . 80 ALA HB . 11125 1 879 . 1 1 80 80 ALA HB2 H 1 1.164 0.030 . 1 . . . . 80 ALA HB . 11125 1 880 . 1 1 80 80 ALA HB3 H 1 1.164 0.030 . 1 . . . . 80 ALA HB . 11125 1 881 . 1 1 80 80 ALA C C 13 172.734 0.300 . 1 . . . . 80 ALA C . 11125 1 882 . 1 1 80 80 ALA CA C 13 47.795 0.300 . 1 . . . . 80 ALA CA . 11125 1 883 . 1 1 80 80 ALA CB C 13 20.977 0.300 . 1 . . . . 80 ALA CB . 11125 1 884 . 1 1 80 80 ALA N N 15 124.571 0.300 . 1 . . . . 80 ALA N . 11125 1 885 . 1 1 81 81 LEU H H 1 8.809 0.030 . 1 . . . . 81 LEU H . 11125 1 886 . 1 1 81 81 LEU HA H 1 4.664 0.030 . 1 . . . . 81 LEU HA . 11125 1 887 . 1 1 81 81 LEU HB2 H 1 1.453 0.030 . 2 . . . . 81 LEU HB2 . 11125 1 888 . 1 1 81 81 LEU HB3 H 1 1.249 0.030 . 2 . . . . 81 LEU HB3 . 11125 1 889 . 1 1 81 81 LEU HD11 H 1 0.498 0.030 . 1 . . . . 81 LEU HD1 . 11125 1 890 . 1 1 81 81 LEU HD12 H 1 0.498 0.030 . 1 . . . . 81 LEU HD1 . 11125 1 891 . 1 1 81 81 LEU HD13 H 1 0.498 0.030 . 1 . . . . 81 LEU HD1 . 11125 1 892 . 1 1 81 81 LEU HD21 H 1 0.535 0.030 . 1 . . . . 81 LEU HD2 . 11125 1 893 . 1 1 81 81 LEU HD22 H 1 0.535 0.030 . 1 . . . . 81 LEU HD2 . 11125 1 894 . 1 1 81 81 LEU HD23 H 1 0.535 0.030 . 1 . . . . 81 LEU HD2 . 11125 1 895 . 1 1 81 81 LEU HG H 1 1.283 0.030 . 1 . . . . 81 LEU HG . 11125 1 896 . 1 1 81 81 LEU C C 13 172.286 0.300 . 1 . . . . 81 LEU C . 11125 1 897 . 1 1 81 81 LEU CA C 13 52.730 0.300 . 1 . . . . 81 LEU CA . 11125 1 898 . 1 1 81 81 LEU CB C 13 42.002 0.300 . 1 . . . . 81 LEU CB . 11125 1 899 . 1 1 81 81 LEU CD1 C 13 22.456 0.300 . 2 . . . . 81 LEU CD1 . 11125 1 900 . 1 1 81 81 LEU CD2 C 13 23.426 0.300 . 2 . . . . 81 LEU CD2 . 11125 1 901 . 1 1 81 81 LEU CG C 13 26.625 0.300 . 1 . . . . 81 LEU CG . 11125 1 902 . 1 1 81 81 LEU N N 15 119.442 0.300 . 1 . . . . 81 LEU N . 11125 1 903 . 1 1 82 82 SER H H 1 8.079 0.030 . 1 . . . . 82 SER H . 11125 1 904 . 1 1 82 82 SER HA H 1 5.023 0.030 . 1 . . . . 82 SER HA . 11125 1 905 . 1 1 82 82 SER HB2 H 1 4.148 0.030 . 2 . . . . 82 SER HB2 . 11125 1 906 . 1 1 82 82 SER HB3 H 1 3.415 0.030 . 2 . . . . 82 SER HB3 . 11125 1 907 . 1 1 82 82 SER C C 13 173.166 0.300 . 1 . . . . 82 SER C . 11125 1 908 . 1 1 82 82 SER CA C 13 53.736 0.300 . 1 . . . . 82 SER CA . 11125 1 909 . 1 1 82 82 SER CB C 13 66.229 0.300 . 1 . . . . 82 SER CB . 11125 1 910 . 1 1 82 82 SER N N 15 114.565 0.300 . 1 . . . . 82 SER N . 11125 1 911 . 1 1 83 83 VAL H H 1 8.797 0.030 . 1 . . . . 83 VAL H . 11125 1 912 . 1 1 83 83 VAL HA H 1 3.897 0.030 . 1 . . . . 83 VAL HA . 11125 1 913 . 1 1 83 83 VAL HB H 1 2.098 0.030 . 1 . . . . 83 VAL HB . 11125 1 914 . 1 1 83 83 VAL HG11 H 1 0.914 0.030 . 1 . . . . 83 VAL HG1 . 11125 1 915 . 1 1 83 83 VAL HG12 H 1 0.914 0.030 . 1 . . . . 83 VAL HG1 . 11125 1 916 . 1 1 83 83 VAL HG13 H 1 0.914 0.030 . 1 . . . . 83 VAL HG1 . 11125 1 917 . 1 1 83 83 VAL HG21 H 1 0.899 0.030 . 1 . . . . 83 VAL HG2 . 11125 1 918 . 1 1 83 83 VAL HG22 H 1 0.899 0.030 . 1 . . . . 83 VAL HG2 . 11125 1 919 . 1 1 83 83 VAL HG23 H 1 0.899 0.030 . 1 . . . . 83 VAL HG2 . 11125 1 920 . 1 1 83 83 VAL C C 13 174.819 0.300 . 1 . . . . 83 VAL C . 11125 1 921 . 1 1 83 83 VAL CA C 13 62.335 0.300 . 1 . . . . 83 VAL CA . 11125 1 922 . 1 1 83 83 VAL CB C 13 29.214 0.300 . 1 . . . . 83 VAL CB . 11125 1 923 . 1 1 83 83 VAL CG1 C 13 18.303 0.300 . 2 . . . . 83 VAL CG1 . 11125 1 924 . 1 1 83 83 VAL CG2 C 13 18.687 0.300 . 2 . . . . 83 VAL CG2 . 11125 1 925 . 1 1 83 83 VAL N N 15 116.362 0.300 . 1 . . . . 83 VAL N . 11125 1 926 . 1 1 84 84 VAL H H 1 7.412 0.030 . 1 . . . . 84 VAL H . 11125 1 927 . 1 1 84 84 VAL HA H 1 4.024 0.030 . 1 . . . . 84 VAL HA . 11125 1 928 . 1 1 84 84 VAL HB H 1 1.897 0.030 . 1 . . . . 84 VAL HB . 11125 1 929 . 1 1 84 84 VAL HG11 H 1 0.692 0.030 . 1 . . . . 84 VAL HG1 . 11125 1 930 . 1 1 84 84 VAL HG12 H 1 0.692 0.030 . 1 . . . . 84 VAL HG1 . 11125 1 931 . 1 1 84 84 VAL HG13 H 1 0.692 0.030 . 1 . . . . 84 VAL HG1 . 11125 1 932 . 1 1 84 84 VAL HG21 H 1 0.728 0.030 . 1 . . . . 84 VAL HG2 . 11125 1 933 . 1 1 84 84 VAL HG22 H 1 0.728 0.030 . 1 . . . . 84 VAL HG2 . 11125 1 934 . 1 1 84 84 VAL HG23 H 1 0.728 0.030 . 1 . . . . 84 VAL HG2 . 11125 1 935 . 1 1 84 84 VAL C C 13 173.520 0.300 . 1 . . . . 84 VAL C . 11125 1 936 . 1 1 84 84 VAL CA C 13 60.246 0.300 . 1 . . . . 84 VAL CA . 11125 1 937 . 1 1 84 84 VAL CB C 13 29.860 0.300 . 1 . . . . 84 VAL CB . 11125 1 938 . 1 1 84 84 VAL CG1 C 13 18.298 0.300 . 2 . . . . 84 VAL CG1 . 11125 1 939 . 1 1 84 84 VAL CG2 C 13 19.168 0.300 . 2 . . . . 84 VAL CG2 . 11125 1 940 . 1 1 84 84 VAL N N 15 113.977 0.300 . 1 . . . . 84 VAL N . 11125 1 941 . 1 1 85 85 GLY H H 1 7.054 0.030 . 1 . . . . 85 GLY H . 11125 1 942 . 1 1 85 85 GLY HA2 H 1 4.205 0.030 . 2 . . . . 85 GLY HA2 . 11125 1 943 . 1 1 85 85 GLY HA3 H 1 3.744 0.030 . 2 . . . . 85 GLY HA3 . 11125 1 944 . 1 1 85 85 GLY C C 13 169.036 0.300 . 1 . . . . 85 GLY C . 11125 1 945 . 1 1 85 85 GLY CA C 13 42.499 0.300 . 1 . . . . 85 GLY CA . 11125 1 946 . 1 1 85 85 GLY N N 15 107.253 0.300 . 1 . . . . 85 GLY N . 11125 1 947 . 1 1 86 86 ALA H H 1 8.273 0.030 . 1 . . . . 86 ALA H . 11125 1 948 . 1 1 86 86 ALA HA H 1 4.550 0.030 . 1 . . . . 86 ALA HA . 11125 1 949 . 1 1 86 86 ALA HB1 H 1 1.133 0.030 . 1 . . . . 86 ALA HB . 11125 1 950 . 1 1 86 86 ALA HB2 H 1 1.133 0.030 . 1 . . . . 86 ALA HB . 11125 1 951 . 1 1 86 86 ALA HB3 H 1 1.133 0.030 . 1 . . . . 86 ALA HB . 11125 1 952 . 1 1 86 86 ALA C C 13 176.120 0.300 . 1 . . . . 86 ALA C . 11125 1 953 . 1 1 86 86 ALA CA C 13 49.067 0.300 . 1 . . . . 86 ALA CA . 11125 1 954 . 1 1 86 86 ALA CB C 13 18.057 0.300 . 1 . . . . 86 ALA CB . 11125 1 955 . 1 1 86 86 ALA N N 15 121.495 0.300 . 1 . . . . 86 ALA N . 11125 1 956 . 1 1 87 87 GLY H H 1 8.869 0.030 . 1 . . . . 87 GLY H . 11125 1 957 . 1 1 87 87 GLY HA2 H 1 4.357 0.030 . 2 . . . . 87 GLY HA2 . 11125 1 958 . 1 1 87 87 GLY HA3 H 1 3.514 0.030 . 2 . . . . 87 GLY HA3 . 11125 1 959 . 1 1 87 87 GLY C C 13 168.585 0.300 . 1 . . . . 87 GLY C . 11125 1 960 . 1 1 87 87 GLY CA C 13 42.088 0.300 . 1 . . . . 87 GLY CA . 11125 1 961 . 1 1 87 87 GLY N N 15 111.142 0.300 . 1 . . . . 87 GLY N . 11125 1 962 . 1 1 88 88 PRO HA H 1 4.431 0.030 . 1 . . . . 88 PRO HA . 11125 1 963 . 1 1 88 88 PRO HB2 H 1 2.359 0.030 . 2 . . . . 88 PRO HB2 . 11125 1 964 . 1 1 88 88 PRO HB3 H 1 1.559 0.030 . 2 . . . . 88 PRO HB3 . 11125 1 965 . 1 1 88 88 PRO HD2 H 1 3.143 0.030 . 2 . . . . 88 PRO HD2 . 11125 1 966 . 1 1 88 88 PRO HD3 H 1 3.748 0.030 . 2 . . . . 88 PRO HD3 . 11125 1 967 . 1 1 88 88 PRO HG2 H 1 1.972 0.030 . 2 . . . . 88 PRO HG2 . 11125 1 968 . 1 1 88 88 PRO HG3 H 1 1.869 0.030 . 2 . . . . 88 PRO HG3 . 11125 1 969 . 1 1 88 88 PRO C C 13 176.675 0.300 . 1 . . . . 88 PRO C . 11125 1 970 . 1 1 88 88 PRO CA C 13 59.865 0.300 . 1 . . . . 88 PRO CA . 11125 1 971 . 1 1 88 88 PRO CB C 13 29.787 0.300 . 1 . . . . 88 PRO CB . 11125 1 972 . 1 1 88 88 PRO CD C 13 47.390 0.300 . 1 . . . . 88 PRO CD . 11125 1 973 . 1 1 88 88 PRO CG C 13 25.352 0.300 . 1 . . . . 88 PRO CG . 11125 1 974 . 1 1 89 89 PHE H H 1 8.779 0.030 . 1 . . . . 89 PHE H . 11125 1 975 . 1 1 89 89 PHE HA H 1 4.245 0.030 . 1 . . . . 89 PHE HA . 11125 1 976 . 1 1 89 89 PHE HB2 H 1 3.182 0.030 . 2 . . . . 89 PHE HB2 . 11125 1 977 . 1 1 89 89 PHE HB3 H 1 2.700 0.030 . 2 . . . . 89 PHE HB3 . 11125 1 978 . 1 1 89 89 PHE HD1 H 1 6.890 0.030 . 1 . . . . 89 PHE HD1 . 11125 1 979 . 1 1 89 89 PHE HD2 H 1 6.890 0.030 . 1 . . . . 89 PHE HD2 . 11125 1 980 . 1 1 89 89 PHE HE1 H 1 6.997 0.030 . 1 . . . . 89 PHE HE1 . 11125 1 981 . 1 1 89 89 PHE HE2 H 1 6.997 0.030 . 1 . . . . 89 PHE HE2 . 11125 1 982 . 1 1 89 89 PHE HZ H 1 6.790 0.030 . 1 . . . . 89 PHE HZ . 11125 1 983 . 1 1 89 89 PHE C C 13 176.060 0.300 . 1 . . . . 89 PHE C . 11125 1 984 . 1 1 89 89 PHE CA C 13 58.212 0.300 . 1 . . . . 89 PHE CA . 11125 1 985 . 1 1 89 89 PHE CB C 13 39.160 0.300 . 1 . . . . 89 PHE CB . 11125 1 986 . 1 1 89 89 PHE CD1 C 13 129.053 0.300 . 1 . . . . 89 PHE CD1 . 11125 1 987 . 1 1 89 89 PHE CD2 C 13 129.053 0.300 . 1 . . . . 89 PHE CD2 . 11125 1 988 . 1 1 89 89 PHE CE1 C 13 129.287 0.300 . 1 . . . . 89 PHE CE1 . 11125 1 989 . 1 1 89 89 PHE CE2 C 13 129.287 0.300 . 1 . . . . 89 PHE CE2 . 11125 1 990 . 1 1 89 89 PHE CZ C 13 127.864 0.300 . 1 . . . . 89 PHE CZ . 11125 1 991 . 1 1 89 89 PHE N N 15 120.987 0.300 . 1 . . . . 89 PHE N . 11125 1 992 . 1 1 90 90 SER H H 1 9.264 0.030 . 1 . . . . 90 SER H . 11125 1 993 . 1 1 90 90 SER HA H 1 4.439 0.030 . 1 . . . . 90 SER HA . 11125 1 994 . 1 1 90 90 SER HB2 H 1 3.968 0.030 . 2 . . . . 90 SER HB2 . 11125 1 995 . 1 1 90 90 SER HB3 H 1 3.736 0.030 . 2 . . . . 90 SER HB3 . 11125 1 996 . 1 1 90 90 SER C C 13 171.447 0.300 . 1 . . . . 90 SER C . 11125 1 997 . 1 1 90 90 SER CA C 13 55.968 0.300 . 1 . . . . 90 SER CA . 11125 1 998 . 1 1 90 90 SER CB C 13 65.479 0.300 . 1 . . . . 90 SER CB . 11125 1 999 . 1 1 90 90 SER N N 15 115.012 0.300 . 1 . . . . 90 SER N . 11125 1 1000 . 1 1 91 91 GLU H H 1 8.857 0.030 . 1 . . . . 91 GLU H . 11125 1 1001 . 1 1 91 91 GLU HA H 1 4.115 0.030 . 1 . . . . 91 GLU HA . 11125 1 1002 . 1 1 91 91 GLU HB2 H 1 2.086 0.030 . 2 . . . . 91 GLU HB2 . 11125 1 1003 . 1 1 91 91 GLU HB3 H 1 1.723 0.030 . 2 . . . . 91 GLU HB3 . 11125 1 1004 . 1 1 91 91 GLU HG2 H 1 2.345 0.030 . 2 . . . . 91 GLU HG2 . 11125 1 1005 . 1 1 91 91 GLU HG3 H 1 2.296 0.030 . 2 . . . . 91 GLU HG3 . 11125 1 1006 . 1 1 91 91 GLU C C 13 174.037 0.300 . 1 . . . . 91 GLU C . 11125 1 1007 . 1 1 91 91 GLU CA C 13 54.686 0.300 . 1 . . . . 91 GLU CA . 11125 1 1008 . 1 1 91 91 GLU CB C 13 28.239 0.300 . 1 . . . . 91 GLU CB . 11125 1 1009 . 1 1 91 91 GLU CG C 13 34.163 0.300 . 1 . . . . 91 GLU CG . 11125 1 1010 . 1 1 91 91 GLU N N 15 118.016 0.300 . 1 . . . . 91 GLU N . 11125 1 1011 . 1 1 92 92 VAL H H 1 8.299 0.030 . 1 . . . . 92 VAL H . 11125 1 1012 . 1 1 92 92 VAL HA H 1 4.252 0.030 . 1 . . . . 92 VAL HA . 11125 1 1013 . 1 1 92 92 VAL HB H 1 1.809 0.030 . 1 . . . . 92 VAL HB . 11125 1 1014 . 1 1 92 92 VAL HG11 H 1 0.825 0.030 . 1 . . . . 92 VAL HG1 . 11125 1 1015 . 1 1 92 92 VAL HG12 H 1 0.825 0.030 . 1 . . . . 92 VAL HG1 . 11125 1 1016 . 1 1 92 92 VAL HG13 H 1 0.825 0.030 . 1 . . . . 92 VAL HG1 . 11125 1 1017 . 1 1 92 92 VAL HG21 H 1 0.803 0.030 . 1 . . . . 92 VAL HG2 . 11125 1 1018 . 1 1 92 92 VAL HG22 H 1 0.803 0.030 . 1 . . . . 92 VAL HG2 . 11125 1 1019 . 1 1 92 92 VAL HG23 H 1 0.803 0.030 . 1 . . . . 92 VAL HG2 . 11125 1 1020 . 1 1 92 92 VAL C C 13 174.216 0.300 . 1 . . . . 92 VAL C . 11125 1 1021 . 1 1 92 92 VAL CA C 13 60.029 0.300 . 1 . . . . 92 VAL CA . 11125 1 1022 . 1 1 92 92 VAL CB C 13 30.513 0.300 . 1 . . . . 92 VAL CB . 11125 1 1023 . 1 1 92 92 VAL CG1 C 13 20.262 0.300 . 2 . . . . 92 VAL CG1 . 11125 1 1024 . 1 1 92 92 VAL CG2 C 13 21.158 0.300 . 2 . . . . 92 VAL CG2 . 11125 1 1025 . 1 1 92 92 VAL N N 15 121.357 0.300 . 1 . . . . 92 VAL N . 11125 1 1026 . 1 1 93 93 VAL H H 1 8.999 0.030 . 1 . . . . 93 VAL H . 11125 1 1027 . 1 1 93 93 VAL HA H 1 4.291 0.030 . 1 . . . . 93 VAL HA . 11125 1 1028 . 1 1 93 93 VAL HB H 1 1.862 0.030 . 1 . . . . 93 VAL HB . 11125 1 1029 . 1 1 93 93 VAL HG11 H 1 0.877 0.030 . 1 . . . . 93 VAL HG1 . 11125 1 1030 . 1 1 93 93 VAL HG12 H 1 0.877 0.030 . 1 . . . . 93 VAL HG1 . 11125 1 1031 . 1 1 93 93 VAL HG13 H 1 0.877 0.030 . 1 . . . . 93 VAL HG1 . 11125 1 1032 . 1 1 93 93 VAL HG21 H 1 1.061 0.030 . 1 . . . . 93 VAL HG2 . 11125 1 1033 . 1 1 93 93 VAL HG22 H 1 1.061 0.030 . 1 . . . . 93 VAL HG2 . 11125 1 1034 . 1 1 93 93 VAL HG23 H 1 1.061 0.030 . 1 . . . . 93 VAL HG2 . 11125 1 1035 . 1 1 93 93 VAL C C 13 171.163 0.300 . 1 . . . . 93 VAL C . 11125 1 1036 . 1 1 93 93 VAL CA C 13 58.637 0.300 . 1 . . . . 93 VAL CA . 11125 1 1037 . 1 1 93 93 VAL CB C 13 32.901 0.300 . 1 . . . . 93 VAL CB . 11125 1 1038 . 1 1 93 93 VAL CG1 C 13 18.619 0.300 . 2 . . . . 93 VAL CG1 . 11125 1 1039 . 1 1 93 93 VAL CG2 C 13 19.655 0.300 . 2 . . . . 93 VAL CG2 . 11125 1 1040 . 1 1 93 93 VAL N N 15 127.806 0.300 . 1 . . . . 93 VAL N . 11125 1 1041 . 1 1 94 94 ALA H H 1 8.265 0.030 . 1 . . . . 94 ALA H . 11125 1 1042 . 1 1 94 94 ALA HA H 1 5.155 0.030 . 1 . . . . 94 ALA HA . 11125 1 1043 . 1 1 94 94 ALA HB1 H 1 1.047 0.030 . 1 . . . . 94 ALA HB . 11125 1 1044 . 1 1 94 94 ALA HB2 H 1 1.047 0.030 . 1 . . . . 94 ALA HB . 11125 1 1045 . 1 1 94 94 ALA HB3 H 1 1.047 0.030 . 1 . . . . 94 ALA HB . 11125 1 1046 . 1 1 94 94 ALA C C 13 174.906 0.300 . 1 . . . . 94 ALA C . 11125 1 1047 . 1 1 94 94 ALA CA C 13 47.356 0.300 . 1 . . . . 94 ALA CA . 11125 1 1048 . 1 1 94 94 ALA CB C 13 19.002 0.300 . 1 . . . . 94 ALA CB . 11125 1 1049 . 1 1 94 94 ALA N N 15 127.160 0.300 . 1 . . . . 94 ALA N . 11125 1 1050 . 1 1 95 95 CYS H H 1 8.966 0.030 . 1 . . . . 95 CYS H . 11125 1 1051 . 1 1 95 95 CYS HA H 1 4.653 0.030 . 1 . . . . 95 CYS HA . 11125 1 1052 . 1 1 95 95 CYS HB2 H 1 2.559 0.030 . 2 . . . . 95 CYS HB2 . 11125 1 1053 . 1 1 95 95 CYS HB3 H 1 2.490 0.030 . 2 . . . . 95 CYS HB3 . 11125 1 1054 . 1 1 95 95 CYS C C 13 169.111 0.300 . 1 . . . . 95 CYS C . 11125 1 1055 . 1 1 95 95 CYS CA C 13 53.720 0.300 . 1 . . . . 95 CYS CA . 11125 1 1056 . 1 1 95 95 CYS CB C 13 29.009 0.300 . 1 . . . . 95 CYS CB . 11125 1 1057 . 1 1 95 95 CYS N N 15 120.059 0.300 . 1 . . . . 95 CYS N . 11125 1 1058 . 1 1 96 96 VAL H H 1 8.063 0.030 . 1 . . . . 96 VAL H . 11125 1 1059 . 1 1 96 96 VAL HA H 1 4.906 0.030 . 1 . . . . 96 VAL HA . 11125 1 1060 . 1 1 96 96 VAL HB H 1 1.706 0.030 . 1 . . . . 96 VAL HB . 11125 1 1061 . 1 1 96 96 VAL HG11 H 1 0.648 0.030 . 1 . . . . 96 VAL HG1 . 11125 1 1062 . 1 1 96 96 VAL HG12 H 1 0.648 0.030 . 1 . . . . 96 VAL HG1 . 11125 1 1063 . 1 1 96 96 VAL HG13 H 1 0.648 0.030 . 1 . . . . 96 VAL HG1 . 11125 1 1064 . 1 1 96 96 VAL HG21 H 1 0.717 0.030 . 1 . . . . 96 VAL HG2 . 11125 1 1065 . 1 1 96 96 VAL HG22 H 1 0.717 0.030 . 1 . . . . 96 VAL HG2 . 11125 1 1066 . 1 1 96 96 VAL HG23 H 1 0.717 0.030 . 1 . . . . 96 VAL HG2 . 11125 1 1067 . 1 1 96 96 VAL C C 13 174.626 0.300 . 1 . . . . 96 VAL C . 11125 1 1068 . 1 1 96 96 VAL CA C 13 57.663 0.300 . 1 . . . . 96 VAL CA . 11125 1 1069 . 1 1 96 96 VAL CB C 13 31.367 0.300 . 1 . . . . 96 VAL CB . 11125 1 1070 . 1 1 96 96 VAL CG1 C 13 17.938 0.300 . 2 . . . . 96 VAL CG1 . 11125 1 1071 . 1 1 96 96 VAL CG2 C 13 18.280 0.300 . 2 . . . . 96 VAL CG2 . 11125 1 1072 . 1 1 96 96 VAL N N 15 122.555 0.300 . 1 . . . . 96 VAL N . 11125 1 1073 . 1 1 97 97 THR H H 1 9.032 0.030 . 1 . . . . 97 THR H . 11125 1 1074 . 1 1 97 97 THR HA H 1 4.684 0.030 . 1 . . . . 97 THR HA . 11125 1 1075 . 1 1 97 97 THR HB H 1 4.684 0.030 . 1 . . . . 97 THR HB . 11125 1 1076 . 1 1 97 97 THR HG21 H 1 1.314 0.030 . 1 . . . . 97 THR HG2 . 11125 1 1077 . 1 1 97 97 THR HG22 H 1 1.314 0.030 . 1 . . . . 97 THR HG2 . 11125 1 1078 . 1 1 97 97 THR HG23 H 1 1.314 0.030 . 1 . . . . 97 THR HG2 . 11125 1 1079 . 1 1 97 97 THR C C 13 171.476 0.300 . 1 . . . . 97 THR C . 11125 1 1080 . 1 1 97 97 THR CA C 13 57.257 0.300 . 1 . . . . 97 THR CA . 11125 1 1081 . 1 1 97 97 THR CB C 13 66.156 0.300 . 1 . . . . 97 THR CB . 11125 1 1082 . 1 1 97 97 THR CG2 C 13 23.120 0.300 . 1 . . . . 97 THR CG2 . 11125 1 1083 . 1 1 97 97 THR N N 15 119.499 0.300 . 1 . . . . 97 THR N . 11125 1 1084 . 1 1 98 98 PRO HA H 1 4.619 0.030 . 1 . . . . 98 PRO HA . 11125 1 1085 . 1 1 98 98 PRO HB2 H 1 2.308 0.030 . 2 . . . . 98 PRO HB2 . 11125 1 1086 . 1 1 98 98 PRO HB3 H 1 1.857 0.030 . 2 . . . . 98 PRO HB3 . 11125 1 1087 . 1 1 98 98 PRO HD2 H 1 3.683 0.030 . 1 . . . . 98 PRO HD2 . 11125 1 1088 . 1 1 98 98 PRO HD3 H 1 3.683 0.030 . 1 . . . . 98 PRO HD3 . 11125 1 1089 . 1 1 98 98 PRO HG2 H 1 1.861 0.030 . 2 . . . . 98 PRO HG2 . 11125 1 1090 . 1 1 98 98 PRO HG3 H 1 1.557 0.030 . 2 . . . . 98 PRO HG3 . 11125 1 1091 . 1 1 98 98 PRO CA C 13 59.290 0.300 . 1 . . . . 98 PRO CA . 11125 1 1092 . 1 1 98 98 PRO CB C 13 28.624 0.300 . 1 . . . . 98 PRO CB . 11125 1 1093 . 1 1 98 98 PRO CD C 13 48.603 0.300 . 1 . . . . 98 PRO CD . 11125 1 1094 . 1 1 98 98 PRO CG C 13 24.430 0.300 . 1 . . . . 98 PRO CG . 11125 1 1095 . 1 1 99 99 PRO HA H 1 4.457 0.030 . 1 . . . . 99 PRO HA . 11125 1 1096 . 1 1 99 99 PRO HB2 H 1 2.215 0.030 . 2 . . . . 99 PRO HB2 . 11125 1 1097 . 1 1 99 99 PRO HB3 H 1 1.909 0.030 . 2 . . . . 99 PRO HB3 . 11125 1 1098 . 1 1 99 99 PRO HD2 H 1 3.529 0.030 . 2 . . . . 99 PRO HD2 . 11125 1 1099 . 1 1 99 99 PRO HD3 H 1 3.695 0.030 . 2 . . . . 99 PRO HD3 . 11125 1 1100 . 1 1 99 99 PRO HG2 H 1 1.860 0.030 . 2 . . . . 99 PRO HG2 . 11125 1 1101 . 1 1 99 99 PRO HG3 H 1 1.927 0.030 . 2 . . . . 99 PRO HG3 . 11125 1 1102 . 1 1 99 99 PRO C C 13 174.353 0.300 . 1 . . . . 99 PRO C . 11125 1 1103 . 1 1 99 99 PRO CA C 13 60.016 0.300 . 1 . . . . 99 PRO CA . 11125 1 1104 . 1 1 99 99 PRO CB C 13 29.868 0.300 . 1 . . . . 99 PRO CB . 11125 1 1105 . 1 1 99 99 PRO CD C 13 47.386 0.300 . 1 . . . . 99 PRO CD . 11125 1 1106 . 1 1 99 99 PRO CG C 13 24.693 0.300 . 1 . . . . 99 PRO CG . 11125 1 1107 . 1 1 100 100 SER H H 1 8.403 0.030 . 1 . . . . 100 SER H . 11125 1 1108 . 1 1 100 100 SER HA H 1 4.204 0.030 . 1 . . . . 100 SER HA . 11125 1 1109 . 1 1 100 100 SER HB2 H 1 3.726 0.030 . 2 . . . . 100 SER HB2 . 11125 1 1110 . 1 1 100 100 SER HB3 H 1 3.668 0.030 . 2 . . . . 100 SER HB3 . 11125 1 1111 . 1 1 100 100 SER C C 13 172.399 0.300 . 1 . . . . 100 SER C . 11125 1 1112 . 1 1 100 100 SER CA C 13 56.212 0.300 . 1 . . . . 100 SER CA . 11125 1 1113 . 1 1 100 100 SER CB C 13 61.578 0.300 . 1 . . . . 100 SER CB . 11125 1 1114 . 1 1 100 100 SER N N 15 113.693 0.300 . 1 . . . . 100 SER N . 11125 1 1115 . 1 1 102 102 GLY HA2 H 1 4.044 0.030 . 1 . . . . 102 GLY HA2 . 11125 1 1116 . 1 1 102 102 GLY HA3 H 1 4.044 0.030 . 1 . . . . 102 GLY HA3 . 11125 1 1117 . 1 1 102 102 GLY CA C 13 42.319 0.300 . 1 . . . . 102 GLY CA . 11125 1 1118 . 1 1 103 103 PRO HA H 1 4.383 0.030 . 1 . . . . 103 PRO HA . 11125 1 1119 . 1 1 103 103 PRO HB2 H 1 2.196 0.030 . 1 . . . . 103 PRO HB2 . 11125 1 1120 . 1 1 103 103 PRO HB3 H 1 2.196 0.030 . 1 . . . . 103 PRO HB3 . 11125 1 1121 . 1 1 103 103 PRO HD2 H 1 3.537 0.030 . 1 . . . . 103 PRO HD2 . 11125 1 1122 . 1 1 103 103 PRO HD3 H 1 3.537 0.030 . 1 . . . . 103 PRO HD3 . 11125 1 1123 . 1 1 103 103 PRO HG2 H 1 1.926 0.030 . 1 . . . . 103 PRO HG2 . 11125 1 1124 . 1 1 103 103 PRO HG3 H 1 1.926 0.030 . 1 . . . . 103 PRO HG3 . 11125 1 1125 . 1 1 103 103 PRO CA C 13 60.919 0.300 . 1 . . . . 103 PRO CA . 11125 1 1126 . 1 1 103 103 PRO CB C 13 29.830 0.300 . 1 . . . . 103 PRO CB . 11125 1 1127 . 1 1 103 103 PRO CD C 13 47.440 0.300 . 1 . . . . 103 PRO CD . 11125 1 1128 . 1 1 103 103 PRO CG C 13 24.789 0.300 . 1 . . . . 103 PRO CG . 11125 1 1129 . 1 1 105 105 SER HA H 1 4.396 0.030 . 1 . . . . 105 SER HA . 11125 1 1130 . 1 1 105 105 SER HB2 H 1 3.779 0.030 . 2 . . . . 105 SER HB2 . 11125 1 1131 . 1 1 105 105 SER CA C 13 56.145 0.300 . 1 . . . . 105 SER CA . 11125 1 1132 . 1 1 105 105 SER CB C 13 61.704 0.300 . 1 . . . . 105 SER CB . 11125 1 1133 . 1 1 106 106 GLY H H 1 7.958 0.030 . 1 . . . . 106 GLY H . 11125 1 1134 . 1 1 106 106 GLY HA2 H 1 3.646 0.030 . 2 . . . . 106 GLY HA2 . 11125 1 1135 . 1 1 106 106 GLY HA3 H 1 3.702 0.030 . 2 . . . . 106 GLY HA3 . 11125 1 1136 . 1 1 106 106 GLY CA C 13 43.836 0.300 . 1 . . . . 106 GLY CA . 11125 1 1137 . 1 1 106 106 GLY N N 15 116.492 0.300 . 1 . . . . 106 GLY N . 11125 1 stop_ save_