data_11291 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11291 _Entry.Title ; Solution structure of the fibronectin type-III domain of mouse myosin-binding protein C, Fast-type homolog ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2011-08-18 _Entry.Original_release_date 2011-08-18 _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 M. Yoneyama . . . 11291 2 N. Tochio . . . 11291 3 S. Koshiba . . . 11291 4 M. Inoue . . . 11291 5 T. Kigawa . . . 11291 6 S. Yokoyama . . . 11291 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)' . 11291 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11291 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 424 11291 '15N chemical shifts' 97 11291 '1H chemical shifts' 692 11291 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 . . 2011-08-18 2010-08-09 original author . 11291 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X5Y 'BMRB Entry Tracking System' 11291 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11291 _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 fibronectin type-III domain of mouse myosin-binding protein C, Fast-type homolog ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Yoneyama . . . 11291 1 2 N. Tochio . . . 11291 1 3 S. Koshiba . . . 11291 1 4 M. Inoue . . . 11291 1 5 T. Kigawa . . . 11291 1 6 S. Yokoyama . . . 11291 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11291 _Assembly.ID 1 _Assembly.Name 'myosin binding protein C, fast-type' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Fibronectin type-III domain' 1 $entity_1 A . yes native no no . . . 11291 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 1x5y . . . . . . 11291 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11291 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Fibronectin type-III domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGPTSAPQHLTVEDV TDTTTTLKWRPPDRIGAGGI DGYLVEYCLEGSEEWVPANK EPVERCGFTVKDLPTGARIL FRVVGVNIAGRSEPATLLQP VTIRESGPSSG ; _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 111 _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 1X5Y . "Solution Structure Of The Fibronectin Type-Iii Domain Of Mouse Myosin-Binding Protein C, Fast-Type Homolog" . . . . . 100.00 111 100.00 100.00 1.87e-72 . . . . 11291 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Fibronectin type-III domain' . 11291 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 . 11291 1 2 . SER . 11291 1 3 . SER . 11291 1 4 . GLY . 11291 1 5 . SER . 11291 1 6 . SER . 11291 1 7 . GLY . 11291 1 8 . PRO . 11291 1 9 . THR . 11291 1 10 . SER . 11291 1 11 . ALA . 11291 1 12 . PRO . 11291 1 13 . GLN . 11291 1 14 . HIS . 11291 1 15 . LEU . 11291 1 16 . THR . 11291 1 17 . VAL . 11291 1 18 . GLU . 11291 1 19 . ASP . 11291 1 20 . VAL . 11291 1 21 . THR . 11291 1 22 . ASP . 11291 1 23 . THR . 11291 1 24 . THR . 11291 1 25 . THR . 11291 1 26 . THR . 11291 1 27 . LEU . 11291 1 28 . LYS . 11291 1 29 . TRP . 11291 1 30 . ARG . 11291 1 31 . PRO . 11291 1 32 . PRO . 11291 1 33 . ASP . 11291 1 34 . ARG . 11291 1 35 . ILE . 11291 1 36 . GLY . 11291 1 37 . ALA . 11291 1 38 . GLY . 11291 1 39 . GLY . 11291 1 40 . ILE . 11291 1 41 . ASP . 11291 1 42 . GLY . 11291 1 43 . TYR . 11291 1 44 . LEU . 11291 1 45 . VAL . 11291 1 46 . GLU . 11291 1 47 . TYR . 11291 1 48 . CYS . 11291 1 49 . LEU . 11291 1 50 . GLU . 11291 1 51 . GLY . 11291 1 52 . SER . 11291 1 53 . GLU . 11291 1 54 . GLU . 11291 1 55 . TRP . 11291 1 56 . VAL . 11291 1 57 . PRO . 11291 1 58 . ALA . 11291 1 59 . ASN . 11291 1 60 . LYS . 11291 1 61 . GLU . 11291 1 62 . PRO . 11291 1 63 . VAL . 11291 1 64 . GLU . 11291 1 65 . ARG . 11291 1 66 . CYS . 11291 1 67 . GLY . 11291 1 68 . PHE . 11291 1 69 . THR . 11291 1 70 . VAL . 11291 1 71 . LYS . 11291 1 72 . ASP . 11291 1 73 . LEU . 11291 1 74 . PRO . 11291 1 75 . THR . 11291 1 76 . GLY . 11291 1 77 . ALA . 11291 1 78 . ARG . 11291 1 79 . ILE . 11291 1 80 . LEU . 11291 1 81 . PHE . 11291 1 82 . ARG . 11291 1 83 . VAL . 11291 1 84 . VAL . 11291 1 85 . GLY . 11291 1 86 . VAL . 11291 1 87 . ASN . 11291 1 88 . ILE . 11291 1 89 . ALA . 11291 1 90 . GLY . 11291 1 91 . ARG . 11291 1 92 . SER . 11291 1 93 . GLU . 11291 1 94 . PRO . 11291 1 95 . ALA . 11291 1 96 . THR . 11291 1 97 . LEU . 11291 1 98 . LEU . 11291 1 99 . GLN . 11291 1 100 . PRO . 11291 1 101 . VAL . 11291 1 102 . THR . 11291 1 103 . ILE . 11291 1 104 . ARG . 11291 1 105 . GLU . 11291 1 106 . SER . 11291 1 107 . GLY . 11291 1 108 . PRO . 11291 1 109 . SER . 11291 1 110 . SER . 11291 1 111 . GLY . 11291 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 11291 1 . SER 2 2 11291 1 . SER 3 3 11291 1 . GLY 4 4 11291 1 . SER 5 5 11291 1 . SER 6 6 11291 1 . GLY 7 7 11291 1 . PRO 8 8 11291 1 . THR 9 9 11291 1 . SER 10 10 11291 1 . ALA 11 11 11291 1 . PRO 12 12 11291 1 . GLN 13 13 11291 1 . HIS 14 14 11291 1 . LEU 15 15 11291 1 . THR 16 16 11291 1 . VAL 17 17 11291 1 . GLU 18 18 11291 1 . ASP 19 19 11291 1 . VAL 20 20 11291 1 . THR 21 21 11291 1 . ASP 22 22 11291 1 . THR 23 23 11291 1 . THR 24 24 11291 1 . THR 25 25 11291 1 . THR 26 26 11291 1 . LEU 27 27 11291 1 . LYS 28 28 11291 1 . TRP 29 29 11291 1 . ARG 30 30 11291 1 . PRO 31 31 11291 1 . PRO 32 32 11291 1 . ASP 33 33 11291 1 . ARG 34 34 11291 1 . ILE 35 35 11291 1 . GLY 36 36 11291 1 . ALA 37 37 11291 1 . GLY 38 38 11291 1 . GLY 39 39 11291 1 . ILE 40 40 11291 1 . ASP 41 41 11291 1 . GLY 42 42 11291 1 . TYR 43 43 11291 1 . LEU 44 44 11291 1 . VAL 45 45 11291 1 . GLU 46 46 11291 1 . TYR 47 47 11291 1 . CYS 48 48 11291 1 . LEU 49 49 11291 1 . GLU 50 50 11291 1 . GLY 51 51 11291 1 . SER 52 52 11291 1 . GLU 53 53 11291 1 . GLU 54 54 11291 1 . TRP 55 55 11291 1 . VAL 56 56 11291 1 . PRO 57 57 11291 1 . ALA 58 58 11291 1 . ASN 59 59 11291 1 . LYS 60 60 11291 1 . GLU 61 61 11291 1 . PRO 62 62 11291 1 . VAL 63 63 11291 1 . GLU 64 64 11291 1 . ARG 65 65 11291 1 . CYS 66 66 11291 1 . GLY 67 67 11291 1 . PHE 68 68 11291 1 . THR 69 69 11291 1 . VAL 70 70 11291 1 . LYS 71 71 11291 1 . ASP 72 72 11291 1 . LEU 73 73 11291 1 . PRO 74 74 11291 1 . THR 75 75 11291 1 . GLY 76 76 11291 1 . ALA 77 77 11291 1 . ARG 78 78 11291 1 . ILE 79 79 11291 1 . LEU 80 80 11291 1 . PHE 81 81 11291 1 . ARG 82 82 11291 1 . VAL 83 83 11291 1 . VAL 84 84 11291 1 . GLY 85 85 11291 1 . VAL 86 86 11291 1 . ASN 87 87 11291 1 . ILE 88 88 11291 1 . ALA 89 89 11291 1 . GLY 90 90 11291 1 . ARG 91 91 11291 1 . SER 92 92 11291 1 . GLU 93 93 11291 1 . PRO 94 94 11291 1 . ALA 95 95 11291 1 . THR 96 96 11291 1 . LEU 97 97 11291 1 . LEU 98 98 11291 1 . GLN 99 99 11291 1 . PRO 100 100 11291 1 . VAL 101 101 11291 1 . THR 102 102 11291 1 . ILE 103 103 11291 1 . ARG 104 104 11291 1 . GLU 105 105 11291 1 . SER 106 106 11291 1 . GLY 107 107 11291 1 . PRO 108 108 11291 1 . SER 109 109 11291 1 . SER 110 110 11291 1 . GLY 111 111 11291 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 11291 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11291 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 11291 _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' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P041012-11 . . . . . . 11291 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11291 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.47mM fn3 domain U-15N, {13C;} 20mM d-Tris-HCl {(pH7.0);} 100mM {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 1.47 . . mM . . . . 11291 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11291 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11291 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11291 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11291 1 6 H2O . . . . . . solvent 90 . . % . . . . 11291 1 7 D2O . . . . . . solvent 10 . . % . . . . 11291 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 11291 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 11291 1 pH 7.0 0.05 pH 11291 1 pressure 1 0.001 atm 11291 1 temperature 296 0.1 K 11291 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11291 _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 . . 11291 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11291 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11291 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11291 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11291 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11291 _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.' . . 11291 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11291 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11291 _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.' . . 11291 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11291 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11291 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11291 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11291 5 'structure solution' 11291 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 11291 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 11291 _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 . 700 . . . 11291 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 11291 _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 . . . . . . . . . . . . . . . . 11291 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11291 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 11291 _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 . . . . . . . . . 11291 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11291 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11291 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 11291 _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 11291 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11291 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 . . 11291 1 2 $NMRPipe . . 11291 1 3 $NMRview . . 11291 1 4 $Kujira . . 11291 1 5 $CYANA . . 11291 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 7 7 GLY HA2 H 1 4.070 0.030 . 1 . . . . 7 GLY HA2 . 11291 1 2 . 1 1 7 7 GLY HA3 H 1 4.070 0.030 . 1 . . . . 7 GLY HA3 . 11291 1 3 . 1 1 7 7 GLY CA C 13 44.510 0.300 . 1 . . . . 7 GLY CA . 11291 1 4 . 1 1 8 8 PRO HA H 1 4.619 0.030 . 1 . . . . 8 PRO HA . 11291 1 5 . 1 1 8 8 PRO HB2 H 1 1.843 0.030 . 2 . . . . 8 PRO HB2 . 11291 1 6 . 1 1 8 8 PRO HB3 H 1 1.775 0.030 . 2 . . . . 8 PRO HB3 . 11291 1 7 . 1 1 8 8 PRO HD2 H 1 3.517 0.030 . 2 . . . . 8 PRO HD2 . 11291 1 8 . 1 1 8 8 PRO HD3 H 1 3.472 0.030 . 2 . . . . 8 PRO HD3 . 11291 1 9 . 1 1 8 8 PRO HG2 H 1 1.857 0.030 . 2 . . . . 8 PRO HG2 . 11291 1 10 . 1 1 8 8 PRO HG3 H 1 1.676 0.030 . 2 . . . . 8 PRO HG3 . 11291 1 11 . 1 1 8 8 PRO CA C 13 62.683 0.300 . 1 . . . . 8 PRO CA . 11291 1 12 . 1 1 8 8 PRO CB C 13 32.704 0.300 . 1 . . . . 8 PRO CB . 11291 1 13 . 1 1 8 8 PRO CD C 13 50.032 0.300 . 1 . . . . 8 PRO CD . 11291 1 14 . 1 1 8 8 PRO CG C 13 27.287 0.300 . 1 . . . . 8 PRO CG . 11291 1 15 . 1 1 9 9 THR H H 1 8.898 0.030 . 1 . . . . 9 THR H . 11291 1 16 . 1 1 9 9 THR HA H 1 4.363 0.030 . 1 . . . . 9 THR HA . 11291 1 17 . 1 1 9 9 THR HB H 1 4.535 0.030 . 1 . . . . 9 THR HB . 11291 1 18 . 1 1 9 9 THR HG21 H 1 1.336 0.030 . 1 . . . . 9 THR HG2 . 11291 1 19 . 1 1 9 9 THR HG22 H 1 1.336 0.030 . 1 . . . . 9 THR HG2 . 11291 1 20 . 1 1 9 9 THR HG23 H 1 1.336 0.030 . 1 . . . . 9 THR HG2 . 11291 1 21 . 1 1 9 9 THR CA C 13 62.693 0.300 . 1 . . . . 9 THR CA . 11291 1 22 . 1 1 9 9 THR CB C 13 70.415 0.300 . 1 . . . . 9 THR CB . 11291 1 23 . 1 1 9 9 THR CG2 C 13 21.541 0.300 . 1 . . . . 9 THR CG2 . 11291 1 24 . 1 1 9 9 THR N N 15 113.843 0.300 . 1 . . . . 9 THR N . 11291 1 25 . 1 1 10 10 SER H H 1 8.363 0.030 . 1 . . . . 10 SER H . 11291 1 26 . 1 1 10 10 SER HA H 1 4.531 0.030 . 1 . . . . 10 SER HA . 11291 1 27 . 1 1 10 10 SER HB2 H 1 3.941 0.030 . 1 . . . . 10 SER HB2 . 11291 1 28 . 1 1 10 10 SER HB3 H 1 3.941 0.030 . 1 . . . . 10 SER HB3 . 11291 1 29 . 1 1 10 10 SER CA C 13 58.815 0.300 . 1 . . . . 10 SER CA . 11291 1 30 . 1 1 10 10 SER CB C 13 63.386 0.300 . 1 . . . . 10 SER CB . 11291 1 31 . 1 1 10 10 SER N N 15 112.858 0.300 . 1 . . . . 10 SER N . 11291 1 32 . 1 1 11 11 ALA H H 1 8.471 0.030 . 1 . . . . 11 ALA H . 11291 1 33 . 1 1 11 11 ALA HA H 1 4.692 0.030 . 1 . . . . 11 ALA HA . 11291 1 34 . 1 1 11 11 ALA HB1 H 1 1.147 0.030 . 1 . . . . 11 ALA HB . 11291 1 35 . 1 1 11 11 ALA HB2 H 1 1.147 0.030 . 1 . . . . 11 ALA HB . 11291 1 36 . 1 1 11 11 ALA HB3 H 1 1.147 0.030 . 1 . . . . 11 ALA HB . 11291 1 37 . 1 1 11 11 ALA CA C 13 51.853 0.300 . 1 . . . . 11 ALA CA . 11291 1 38 . 1 1 11 11 ALA CB C 13 18.409 0.300 . 1 . . . . 11 ALA CB . 11291 1 39 . 1 1 11 11 ALA N N 15 120.760 0.300 . 1 . . . . 11 ALA N . 11291 1 40 . 1 1 12 12 PRO HA H 1 4.202 0.030 . 1 . . . . 12 PRO HA . 11291 1 41 . 1 1 12 12 PRO HB2 H 1 2.148 0.030 . 2 . . . . 12 PRO HB2 . 11291 1 42 . 1 1 12 12 PRO HB3 H 1 1.262 0.030 . 2 . . . . 12 PRO HB3 . 11291 1 43 . 1 1 12 12 PRO HD2 H 1 4.139 0.030 . 2 . . . . 12 PRO HD2 . 11291 1 44 . 1 1 12 12 PRO HD3 H 1 3.506 0.030 . 2 . . . . 12 PRO HD3 . 11291 1 45 . 1 1 12 12 PRO HG2 H 1 1.617 0.030 . 1 . . . . 12 PRO HG2 . 11291 1 46 . 1 1 12 12 PRO HG3 H 1 1.617 0.030 . 1 . . . . 12 PRO HG3 . 11291 1 47 . 1 1 12 12 PRO CA C 13 63.129 0.300 . 1 . . . . 12 PRO CA . 11291 1 48 . 1 1 12 12 PRO CB C 13 31.278 0.300 . 1 . . . . 12 PRO CB . 11291 1 49 . 1 1 12 12 PRO CD C 13 49.801 0.300 . 1 . . . . 12 PRO CD . 11291 1 50 . 1 1 12 12 PRO CG C 13 28.717 0.300 . 1 . . . . 12 PRO CG . 11291 1 51 . 1 1 13 13 GLN H H 1 8.020 0.030 . 1 . . . . 13 GLN H . 11291 1 52 . 1 1 13 13 GLN HA H 1 4.562 0.030 . 1 . . . . 13 GLN HA . 11291 1 53 . 1 1 13 13 GLN HB2 H 1 1.840 0.030 . 2 . . . . 13 GLN HB2 . 11291 1 54 . 1 1 13 13 GLN HB3 H 1 1.586 0.030 . 2 . . . . 13 GLN HB3 . 11291 1 55 . 1 1 13 13 GLN HE21 H 1 7.568 0.030 . 2 . . . . 13 GLN HE21 . 11291 1 56 . 1 1 13 13 GLN HE22 H 1 7.231 0.030 . 2 . . . . 13 GLN HE22 . 11291 1 57 . 1 1 13 13 GLN HG2 H 1 2.435 0.030 . 2 . . . . 13 GLN HG2 . 11291 1 58 . 1 1 13 13 GLN HG3 H 1 2.016 0.030 . 2 . . . . 13 GLN HG3 . 11291 1 59 . 1 1 13 13 GLN C C 13 174.602 0.300 . 1 . . . . 13 GLN C . 11291 1 60 . 1 1 13 13 GLN CA C 13 54.483 0.300 . 1 . . . . 13 GLN CA . 11291 1 61 . 1 1 13 13 GLN CB C 13 34.880 0.300 . 1 . . . . 13 GLN CB . 11291 1 62 . 1 1 13 13 GLN CG C 13 35.741 0.300 . 1 . . . . 13 GLN CG . 11291 1 63 . 1 1 13 13 GLN N N 15 115.975 0.300 . 1 . . . . 13 GLN N . 11291 1 64 . 1 1 13 13 GLN NE2 N 15 113.357 0.300 . 1 . . . . 13 GLN NE2 . 11291 1 65 . 1 1 14 14 HIS H H 1 8.824 0.030 . 1 . . . . 14 HIS H . 11291 1 66 . 1 1 14 14 HIS HA H 1 4.115 0.030 . 1 . . . . 14 HIS HA . 11291 1 67 . 1 1 14 14 HIS HB2 H 1 3.214 0.030 . 2 . . . . 14 HIS HB2 . 11291 1 68 . 1 1 14 14 HIS HB3 H 1 2.815 0.030 . 2 . . . . 14 HIS HB3 . 11291 1 69 . 1 1 14 14 HIS HD2 H 1 6.871 0.030 . 1 . . . . 14 HIS HD2 . 11291 1 70 . 1 1 14 14 HIS C C 13 173.970 0.300 . 1 . . . . 14 HIS C . 11291 1 71 . 1 1 14 14 HIS CA C 13 56.496 0.300 . 1 . . . . 14 HIS CA . 11291 1 72 . 1 1 14 14 HIS CB C 13 28.658 0.300 . 1 . . . . 14 HIS CB . 11291 1 73 . 1 1 14 14 HIS CD2 C 13 119.361 0.300 . 1 . . . . 14 HIS CD2 . 11291 1 74 . 1 1 14 14 HIS N N 15 117.584 0.300 . 1 . . . . 14 HIS N . 11291 1 75 . 1 1 15 15 LEU H H 1 8.226 0.030 . 1 . . . . 15 LEU H . 11291 1 76 . 1 1 15 15 LEU HA H 1 5.005 0.030 . 1 . . . . 15 LEU HA . 11291 1 77 . 1 1 15 15 LEU HB2 H 1 1.807 0.030 . 2 . . . . 15 LEU HB2 . 11291 1 78 . 1 1 15 15 LEU HB3 H 1 0.963 0.030 . 2 . . . . 15 LEU HB3 . 11291 1 79 . 1 1 15 15 LEU HD11 H 1 1.122 0.030 . 1 . . . . 15 LEU HD1 . 11291 1 80 . 1 1 15 15 LEU HD12 H 1 1.122 0.030 . 1 . . . . 15 LEU HD1 . 11291 1 81 . 1 1 15 15 LEU HD13 H 1 1.122 0.030 . 1 . . . . 15 LEU HD1 . 11291 1 82 . 1 1 15 15 LEU HD21 H 1 0.719 0.030 . 1 . . . . 15 LEU HD2 . 11291 1 83 . 1 1 15 15 LEU HD22 H 1 0.719 0.030 . 1 . . . . 15 LEU HD2 . 11291 1 84 . 1 1 15 15 LEU HD23 H 1 0.719 0.030 . 1 . . . . 15 LEU HD2 . 11291 1 85 . 1 1 15 15 LEU HG H 1 1.473 0.030 . 1 . . . . 15 LEU HG . 11291 1 86 . 1 1 15 15 LEU C C 13 176.965 0.300 . 1 . . . . 15 LEU C . 11291 1 87 . 1 1 15 15 LEU CA C 13 55.952 0.300 . 1 . . . . 15 LEU CA . 11291 1 88 . 1 1 15 15 LEU CB C 13 42.351 0.300 . 1 . . . . 15 LEU CB . 11291 1 89 . 1 1 15 15 LEU CD1 C 13 25.321 0.300 . 2 . . . . 15 LEU CD1 . 11291 1 90 . 1 1 15 15 LEU CD2 C 13 27.051 0.300 . 2 . . . . 15 LEU CD2 . 11291 1 91 . 1 1 15 15 LEU CG C 13 27.129 0.300 . 1 . . . . 15 LEU CG . 11291 1 92 . 1 1 15 15 LEU N N 15 121.081 0.300 . 1 . . . . 15 LEU N . 11291 1 93 . 1 1 16 16 THR H H 1 9.796 0.030 . 1 . . . . 16 THR H . 11291 1 94 . 1 1 16 16 THR HA H 1 4.646 0.030 . 1 . . . . 16 THR HA . 11291 1 95 . 1 1 16 16 THR HB H 1 4.048 0.030 . 1 . . . . 16 THR HB . 11291 1 96 . 1 1 16 16 THR HG21 H 1 1.049 0.030 . 1 . . . . 16 THR HG2 . 11291 1 97 . 1 1 16 16 THR HG22 H 1 1.049 0.030 . 1 . . . . 16 THR HG2 . 11291 1 98 . 1 1 16 16 THR HG23 H 1 1.049 0.030 . 1 . . . . 16 THR HG2 . 11291 1 99 . 1 1 16 16 THR C C 13 172.636 0.300 . 1 . . . . 16 THR C . 11291 1 100 . 1 1 16 16 THR CA C 13 60.584 0.300 . 1 . . . . 16 THR CA . 11291 1 101 . 1 1 16 16 THR CB C 13 72.429 0.300 . 1 . . . . 16 THR CB . 11291 1 102 . 1 1 16 16 THR CG2 C 13 21.680 0.300 . 1 . . . . 16 THR CG2 . 11291 1 103 . 1 1 16 16 THR N N 15 121.234 0.300 . 1 . . . . 16 THR N . 11291 1 104 . 1 1 17 17 VAL H H 1 8.534 0.030 . 1 . . . . 17 VAL H . 11291 1 105 . 1 1 17 17 VAL HA H 1 4.166 0.030 . 1 . . . . 17 VAL HA . 11291 1 106 . 1 1 17 17 VAL HB H 1 2.015 0.030 . 1 . . . . 17 VAL HB . 11291 1 107 . 1 1 17 17 VAL HG11 H 1 0.827 0.030 . 1 . . . . 17 VAL HG1 . 11291 1 108 . 1 1 17 17 VAL HG12 H 1 0.827 0.030 . 1 . . . . 17 VAL HG1 . 11291 1 109 . 1 1 17 17 VAL HG13 H 1 0.827 0.030 . 1 . . . . 17 VAL HG1 . 11291 1 110 . 1 1 17 17 VAL HG21 H 1 0.909 0.030 . 1 . . . . 17 VAL HG2 . 11291 1 111 . 1 1 17 17 VAL HG22 H 1 0.909 0.030 . 1 . . . . 17 VAL HG2 . 11291 1 112 . 1 1 17 17 VAL HG23 H 1 0.909 0.030 . 1 . . . . 17 VAL HG2 . 11291 1 113 . 1 1 17 17 VAL C C 13 175.998 0.300 . 1 . . . . 17 VAL C . 11291 1 114 . 1 1 17 17 VAL CA C 13 62.228 0.300 . 1 . . . . 17 VAL CA . 11291 1 115 . 1 1 17 17 VAL CB C 13 32.228 0.300 . 1 . . . . 17 VAL CB . 11291 1 116 . 1 1 17 17 VAL CG1 C 13 22.021 0.300 . 2 . . . . 17 VAL CG1 . 11291 1 117 . 1 1 17 17 VAL CG2 C 13 22.499 0.300 . 2 . . . . 17 VAL CG2 . 11291 1 118 . 1 1 17 17 VAL N N 15 122.121 0.300 . 1 . . . . 17 VAL N . 11291 1 119 . 1 1 18 18 GLU H H 1 8.924 0.030 . 1 . . . . 18 GLU H . 11291 1 120 . 1 1 18 18 GLU HA H 1 4.333 0.030 . 1 . . . . 18 GLU HA . 11291 1 121 . 1 1 18 18 GLU HB2 H 1 1.901 0.030 . 2 . . . . 18 GLU HB2 . 11291 1 122 . 1 1 18 18 GLU HB3 H 1 1.504 0.030 . 2 . . . . 18 GLU HB3 . 11291 1 123 . 1 1 18 18 GLU HG2 H 1 2.064 0.030 . 2 . . . . 18 GLU HG2 . 11291 1 124 . 1 1 18 18 GLU HG3 H 1 2.011 0.030 . 2 . . . . 18 GLU HG3 . 11291 1 125 . 1 1 18 18 GLU C C 13 175.556 0.300 . 1 . . . . 18 GLU C . 11291 1 126 . 1 1 18 18 GLU CA C 13 56.345 0.300 . 1 . . . . 18 GLU CA . 11291 1 127 . 1 1 18 18 GLU CB C 13 32.107 0.300 . 1 . . . . 18 GLU CB . 11291 1 128 . 1 1 18 18 GLU CG C 13 36.669 0.300 . 1 . . . . 18 GLU CG . 11291 1 129 . 1 1 18 18 GLU N N 15 127.745 0.300 . 1 . . . . 18 GLU N . 11291 1 130 . 1 1 19 19 ASP H H 1 7.572 0.030 . 1 . . . . 19 ASP H . 11291 1 131 . 1 1 19 19 ASP HA H 1 4.760 0.030 . 1 . . . . 19 ASP HA . 11291 1 132 . 1 1 19 19 ASP HB2 H 1 2.672 0.030 . 2 . . . . 19 ASP HB2 . 11291 1 133 . 1 1 19 19 ASP HB3 H 1 2.237 0.030 . 2 . . . . 19 ASP HB3 . 11291 1 134 . 1 1 19 19 ASP C C 13 173.278 0.300 . 1 . . . . 19 ASP C . 11291 1 135 . 1 1 19 19 ASP CA C 13 54.349 0.300 . 1 . . . . 19 ASP CA . 11291 1 136 . 1 1 19 19 ASP CB C 13 44.650 0.300 . 1 . . . . 19 ASP CB . 11291 1 137 . 1 1 19 19 ASP N N 15 115.850 0.300 . 1 . . . . 19 ASP N . 11291 1 138 . 1 1 20 20 VAL H H 1 8.036 0.030 . 1 . . . . 20 VAL H . 11291 1 139 . 1 1 20 20 VAL HA H 1 4.584 0.030 . 1 . . . . 20 VAL HA . 11291 1 140 . 1 1 20 20 VAL HB H 1 1.977 0.030 . 1 . . . . 20 VAL HB . 11291 1 141 . 1 1 20 20 VAL HG11 H 1 1.285 0.030 . 1 . . . . 20 VAL HG1 . 11291 1 142 . 1 1 20 20 VAL HG12 H 1 1.285 0.030 . 1 . . . . 20 VAL HG1 . 11291 1 143 . 1 1 20 20 VAL HG13 H 1 1.285 0.030 . 1 . . . . 20 VAL HG1 . 11291 1 144 . 1 1 20 20 VAL HG21 H 1 1.024 0.030 . 1 . . . . 20 VAL HG2 . 11291 1 145 . 1 1 20 20 VAL HG22 H 1 1.024 0.030 . 1 . . . . 20 VAL HG2 . 11291 1 146 . 1 1 20 20 VAL HG23 H 1 1.024 0.030 . 1 . . . . 20 VAL HG2 . 11291 1 147 . 1 1 20 20 VAL C C 13 175.243 0.300 . 1 . . . . 20 VAL C . 11291 1 148 . 1 1 20 20 VAL CA C 13 62.355 0.300 . 1 . . . . 20 VAL CA . 11291 1 149 . 1 1 20 20 VAL CB C 13 35.834 0.300 . 1 . . . . 20 VAL CB . 11291 1 150 . 1 1 20 20 VAL CG1 C 13 22.132 0.300 . 2 . . . . 20 VAL CG1 . 11291 1 151 . 1 1 20 20 VAL CG2 C 13 22.609 0.300 . 2 . . . . 20 VAL CG2 . 11291 1 152 . 1 1 20 20 VAL N N 15 123.334 0.300 . 1 . . . . 20 VAL N . 11291 1 153 . 1 1 21 21 THR H H 1 8.374 0.030 . 1 . . . . 21 THR H . 11291 1 154 . 1 1 21 21 THR HA H 1 4.611 0.030 . 1 . . . . 21 THR HA . 11291 1 155 . 1 1 21 21 THR HB H 1 4.688 0.030 . 1 . . . . 21 THR HB . 11291 1 156 . 1 1 21 21 THR HG21 H 1 1.097 0.030 . 1 . . . . 21 THR HG2 . 11291 1 157 . 1 1 21 21 THR HG22 H 1 1.097 0.030 . 1 . . . . 21 THR HG2 . 11291 1 158 . 1 1 21 21 THR HG23 H 1 1.097 0.030 . 1 . . . . 21 THR HG2 . 11291 1 159 . 1 1 21 21 THR C C 13 171.748 0.300 . 1 . . . . 21 THR C . 11291 1 160 . 1 1 21 21 THR CA C 13 59.877 0.300 . 1 . . . . 21 THR CA . 11291 1 161 . 1 1 21 21 THR CB C 13 70.659 0.300 . 1 . . . . 21 THR CB . 11291 1 162 . 1 1 21 21 THR CG2 C 13 20.871 0.300 . 1 . . . . 21 THR CG2 . 11291 1 163 . 1 1 21 21 THR N N 15 118.109 0.300 . 1 . . . . 21 THR N . 11291 1 164 . 1 1 22 22 ASP H H 1 8.474 0.030 . 1 . . . . 22 ASP H . 11291 1 165 . 1 1 22 22 ASP HA H 1 4.541 0.030 . 1 . . . . 22 ASP HA . 11291 1 166 . 1 1 22 22 ASP HB2 H 1 2.760 0.030 . 1 . . . . 22 ASP HB2 . 11291 1 167 . 1 1 22 22 ASP HB3 H 1 2.760 0.030 . 1 . . . . 22 ASP HB3 . 11291 1 168 . 1 1 22 22 ASP C C 13 177.311 0.300 . 1 . . . . 22 ASP C . 11291 1 169 . 1 1 22 22 ASP CA C 13 56.826 0.300 . 1 . . . . 22 ASP CA . 11291 1 170 . 1 1 22 22 ASP CB C 13 40.646 0.300 . 1 . . . . 22 ASP CB . 11291 1 171 . 1 1 22 22 ASP N N 15 113.400 0.300 . 1 . . . . 22 ASP N . 11291 1 172 . 1 1 23 23 THR H H 1 7.391 0.030 . 1 . . . . 23 THR H . 11291 1 173 . 1 1 23 23 THR HA H 1 4.805 0.030 . 1 . . . . 23 THR HA . 11291 1 174 . 1 1 23 23 THR HB H 1 4.579 0.030 . 1 . . . . 23 THR HB . 11291 1 175 . 1 1 23 23 THR HG21 H 1 1.080 0.030 . 1 . . . . 23 THR HG2 . 11291 1 176 . 1 1 23 23 THR HG22 H 1 1.080 0.030 . 1 . . . . 23 THR HG2 . 11291 1 177 . 1 1 23 23 THR HG23 H 1 1.080 0.030 . 1 . . . . 23 THR HG2 . 11291 1 178 . 1 1 23 23 THR C C 13 173.706 0.300 . 1 . . . . 23 THR C . 11291 1 179 . 1 1 23 23 THR CA C 13 61.071 0.300 . 1 . . . . 23 THR CA . 11291 1 180 . 1 1 23 23 THR CB C 13 72.059 0.300 . 1 . . . . 23 THR CB . 11291 1 181 . 1 1 23 23 THR CG2 C 13 21.635 0.300 . 1 . . . . 23 THR CG2 . 11291 1 182 . 1 1 23 23 THR N N 15 103.697 0.300 . 1 . . . . 23 THR N . 11291 1 183 . 1 1 24 24 THR H H 1 7.011 0.030 . 1 . . . . 24 THR H . 11291 1 184 . 1 1 24 24 THR HA H 1 5.752 0.030 . 1 . . . . 24 THR HA . 11291 1 185 . 1 1 24 24 THR HB H 1 3.939 0.030 . 1 . . . . 24 THR HB . 11291 1 186 . 1 1 24 24 THR HG21 H 1 1.069 0.030 . 1 . . . . 24 THR HG2 . 11291 1 187 . 1 1 24 24 THR HG22 H 1 1.069 0.030 . 1 . . . . 24 THR HG2 . 11291 1 188 . 1 1 24 24 THR HG23 H 1 1.069 0.030 . 1 . . . . 24 THR HG2 . 11291 1 189 . 1 1 24 24 THR C C 13 174.949 0.300 . 1 . . . . 24 THR C . 11291 1 190 . 1 1 24 24 THR CA C 13 59.423 0.300 . 1 . . . . 24 THR CA . 11291 1 191 . 1 1 24 24 THR CB C 13 73.683 0.300 . 1 . . . . 24 THR CB . 11291 1 192 . 1 1 24 24 THR CG2 C 13 21.528 0.300 . 1 . . . . 24 THR CG2 . 11291 1 193 . 1 1 24 24 THR N N 15 109.702 0.300 . 1 . . . . 24 THR N . 11291 1 194 . 1 1 25 25 THR H H 1 8.448 0.030 . 1 . . . . 25 THR H . 11291 1 195 . 1 1 25 25 THR HA H 1 4.860 0.030 . 1 . . . . 25 THR HA . 11291 1 196 . 1 1 25 25 THR HB H 1 3.404 0.030 . 1 . . . . 25 THR HB . 11291 1 197 . 1 1 25 25 THR HG21 H 1 0.747 0.030 . 1 . . . . 25 THR HG2 . 11291 1 198 . 1 1 25 25 THR HG22 H 1 0.747 0.030 . 1 . . . . 25 THR HG2 . 11291 1 199 . 1 1 25 25 THR HG23 H 1 0.747 0.030 . 1 . . . . 25 THR HG2 . 11291 1 200 . 1 1 25 25 THR C C 13 172.331 0.300 . 1 . . . . 25 THR C . 11291 1 201 . 1 1 25 25 THR CA C 13 63.483 0.300 . 1 . . . . 25 THR CA . 11291 1 202 . 1 1 25 25 THR CB C 13 73.942 0.300 . 1 . . . . 25 THR CB . 11291 1 203 . 1 1 25 25 THR CG2 C 13 22.364 0.300 . 1 . . . . 25 THR CG2 . 11291 1 204 . 1 1 25 25 THR N N 15 115.378 0.300 . 1 . . . . 25 THR N . 11291 1 205 . 1 1 26 26 THR H H 1 9.152 0.030 . 1 . . . . 26 THR H . 11291 1 206 . 1 1 26 26 THR HA H 1 5.035 0.030 . 1 . . . . 26 THR HA . 11291 1 207 . 1 1 26 26 THR HB H 1 3.814 0.030 . 1 . . . . 26 THR HB . 11291 1 208 . 1 1 26 26 THR HG21 H 1 1.061 0.030 . 1 . . . . 26 THR HG2 . 11291 1 209 . 1 1 26 26 THR HG22 H 1 1.061 0.030 . 1 . . . . 26 THR HG2 . 11291 1 210 . 1 1 26 26 THR HG23 H 1 1.061 0.030 . 1 . . . . 26 THR HG2 . 11291 1 211 . 1 1 26 26 THR C C 13 172.523 0.300 . 1 . . . . 26 THR C . 11291 1 212 . 1 1 26 26 THR CA C 13 62.533 0.300 . 1 . . . . 26 THR CA . 11291 1 213 . 1 1 26 26 THR CB C 13 69.924 0.300 . 1 . . . . 26 THR CB . 11291 1 214 . 1 1 26 26 THR CG2 C 13 21.696 0.300 . 1 . . . . 26 THR CG2 . 11291 1 215 . 1 1 26 26 THR N N 15 124.811 0.300 . 1 . . . . 26 THR N . 11291 1 216 . 1 1 27 27 LEU H H 1 9.085 0.030 . 1 . . . . 27 LEU H . 11291 1 217 . 1 1 27 27 LEU HA H 1 5.407 0.030 . 1 . . . . 27 LEU HA . 11291 1 218 . 1 1 27 27 LEU HB2 H 1 1.986 0.030 . 2 . . . . 27 LEU HB2 . 11291 1 219 . 1 1 27 27 LEU HB3 H 1 1.784 0.030 . 2 . . . . 27 LEU HB3 . 11291 1 220 . 1 1 27 27 LEU HD11 H 1 0.718 0.030 . 1 . . . . 27 LEU HD1 . 11291 1 221 . 1 1 27 27 LEU HD12 H 1 0.718 0.030 . 1 . . . . 27 LEU HD1 . 11291 1 222 . 1 1 27 27 LEU HD13 H 1 0.718 0.030 . 1 . . . . 27 LEU HD1 . 11291 1 223 . 1 1 27 27 LEU HD21 H 1 0.528 0.030 . 1 . . . . 27 LEU HD2 . 11291 1 224 . 1 1 27 27 LEU HD22 H 1 0.528 0.030 . 1 . . . . 27 LEU HD2 . 11291 1 225 . 1 1 27 27 LEU HD23 H 1 0.528 0.030 . 1 . . . . 27 LEU HD2 . 11291 1 226 . 1 1 27 27 LEU HG H 1 1.443 0.030 . 1 . . . . 27 LEU HG . 11291 1 227 . 1 1 27 27 LEU C C 13 175.898 0.300 . 1 . . . . 27 LEU C . 11291 1 228 . 1 1 27 27 LEU CA C 13 53.069 0.300 . 1 . . . . 27 LEU CA . 11291 1 229 . 1 1 27 27 LEU CB C 13 46.039 0.300 . 1 . . . . 27 LEU CB . 11291 1 230 . 1 1 27 27 LEU CD1 C 13 26.577 0.300 . 2 . . . . 27 LEU CD1 . 11291 1 231 . 1 1 27 27 LEU CD2 C 13 23.434 0.300 . 2 . . . . 27 LEU CD2 . 11291 1 232 . 1 1 27 27 LEU CG C 13 27.323 0.300 . 1 . . . . 27 LEU CG . 11291 1 233 . 1 1 27 27 LEU N N 15 128.144 0.300 . 1 . . . . 27 LEU N . 11291 1 234 . 1 1 28 28 LYS H H 1 9.060 0.030 . 1 . . . . 28 LYS H . 11291 1 235 . 1 1 28 28 LYS HA H 1 4.500 0.030 . 1 . . . . 28 LYS HA . 11291 1 236 . 1 1 28 28 LYS HB2 H 1 1.687 0.030 . 2 . . . . 28 LYS HB2 . 11291 1 237 . 1 1 28 28 LYS HB3 H 1 1.554 0.030 . 2 . . . . 28 LYS HB3 . 11291 1 238 . 1 1 28 28 LYS HD2 H 1 1.499 0.030 . 1 . . . . 28 LYS HD2 . 11291 1 239 . 1 1 28 28 LYS HD3 H 1 1.499 0.030 . 1 . . . . 28 LYS HD3 . 11291 1 240 . 1 1 28 28 LYS HE2 H 1 2.803 0.030 . 1 . . . . 28 LYS HE2 . 11291 1 241 . 1 1 28 28 LYS HE3 H 1 2.803 0.030 . 1 . . . . 28 LYS HE3 . 11291 1 242 . 1 1 28 28 LYS HG2 H 1 1.315 0.030 . 1 . . . . 28 LYS HG2 . 11291 1 243 . 1 1 28 28 LYS HG3 H 1 1.315 0.030 . 1 . . . . 28 LYS HG3 . 11291 1 244 . 1 1 28 28 LYS C C 13 172.771 0.300 . 1 . . . . 28 LYS C . 11291 1 245 . 1 1 28 28 LYS CA C 13 55.524 0.300 . 1 . . . . 28 LYS CA . 11291 1 246 . 1 1 28 28 LYS CB C 13 37.101 0.300 . 1 . . . . 28 LYS CB . 11291 1 247 . 1 1 28 28 LYS CD C 13 29.407 0.300 . 1 . . . . 28 LYS CD . 11291 1 248 . 1 1 28 28 LYS CE C 13 42.003 0.300 . 1 . . . . 28 LYS CE . 11291 1 249 . 1 1 28 28 LYS CG C 13 24.909 0.300 . 1 . . . . 28 LYS CG . 11291 1 250 . 1 1 28 28 LYS N N 15 122.426 0.300 . 1 . . . . 28 LYS N . 11291 1 251 . 1 1 29 29 TRP H H 1 7.197 0.030 . 1 . . . . 29 TRP H . 11291 1 252 . 1 1 29 29 TRP HA H 1 5.107 0.030 . 1 . . . . 29 TRP HA . 11291 1 253 . 1 1 29 29 TRP HB2 H 1 3.335 0.030 . 2 . . . . 29 TRP HB2 . 11291 1 254 . 1 1 29 29 TRP HB3 H 1 3.082 0.030 . 2 . . . . 29 TRP HB3 . 11291 1 255 . 1 1 29 29 TRP HD1 H 1 6.589 0.030 . 1 . . . . 29 TRP HD1 . 11291 1 256 . 1 1 29 29 TRP HE1 H 1 5.598 0.030 . 1 . . . . 29 TRP HE1 . 11291 1 257 . 1 1 29 29 TRP HE3 H 1 6.835 0.030 . 1 . . . . 29 TRP HE3 . 11291 1 258 . 1 1 29 29 TRP HH2 H 1 6.577 0.030 . 1 . . . . 29 TRP HH2 . 11291 1 259 . 1 1 29 29 TRP HZ2 H 1 7.084 0.030 . 1 . . . . 29 TRP HZ2 . 11291 1 260 . 1 1 29 29 TRP HZ3 H 1 6.578 0.030 . 1 . . . . 29 TRP HZ3 . 11291 1 261 . 1 1 29 29 TRP C C 13 172.795 0.300 . 1 . . . . 29 TRP C . 11291 1 262 . 1 1 29 29 TRP CA C 13 57.078 0.300 . 1 . . . . 29 TRP CA . 11291 1 263 . 1 1 29 29 TRP CB C 13 28.951 0.300 . 1 . . . . 29 TRP CB . 11291 1 264 . 1 1 29 29 TRP CD1 C 13 125.814 0.300 . 1 . . . . 29 TRP CD1 . 11291 1 265 . 1 1 29 29 TRP CE3 C 13 119.841 0.300 . 1 . . . . 29 TRP CE3 . 11291 1 266 . 1 1 29 29 TRP CH2 C 13 123.111 0.300 . 1 . . . . 29 TRP CH2 . 11291 1 267 . 1 1 29 29 TRP CZ2 C 13 115.689 0.300 . 1 . . . . 29 TRP CZ2 . 11291 1 268 . 1 1 29 29 TRP CZ3 C 13 120.627 0.300 . 1 . . . . 29 TRP CZ3 . 11291 1 269 . 1 1 29 29 TRP N N 15 117.948 0.300 . 1 . . . . 29 TRP N . 11291 1 270 . 1 1 29 29 TRP NE1 N 15 125.045 0.300 . 1 . . . . 29 TRP NE1 . 11291 1 271 . 1 1 30 30 ARG H H 1 9.419 0.030 . 1 . . . . 30 ARG H . 11291 1 272 . 1 1 30 30 ARG HA H 1 5.000 0.030 . 1 . . . . 30 ARG HA . 11291 1 273 . 1 1 30 30 ARG HB2 H 1 2.081 0.030 . 2 . . . . 30 ARG HB2 . 11291 1 274 . 1 1 30 30 ARG HB3 H 1 1.483 0.030 . 2 . . . . 30 ARG HB3 . 11291 1 275 . 1 1 30 30 ARG HD2 H 1 3.220 0.030 . 2 . . . . 30 ARG HD2 . 11291 1 276 . 1 1 30 30 ARG HD3 H 1 3.164 0.030 . 2 . . . . 30 ARG HD3 . 11291 1 277 . 1 1 30 30 ARG HG2 H 1 1.734 0.030 . 1 . . . . 30 ARG HG2 . 11291 1 278 . 1 1 30 30 ARG HG3 H 1 1.734 0.030 . 1 . . . . 30 ARG HG3 . 11291 1 279 . 1 1 30 30 ARG C C 13 173.511 0.300 . 1 . . . . 30 ARG C . 11291 1 280 . 1 1 30 30 ARG CA C 13 52.841 0.300 . 1 . . . . 30 ARG CA . 11291 1 281 . 1 1 30 30 ARG CB C 13 31.497 0.300 . 1 . . . . 30 ARG CB . 11291 1 282 . 1 1 30 30 ARG CD C 13 43.372 0.300 . 1 . . . . 30 ARG CD . 11291 1 283 . 1 1 30 30 ARG CG C 13 27.325 0.300 . 1 . . . . 30 ARG CG . 11291 1 284 . 1 1 30 30 ARG N N 15 118.072 0.300 . 1 . . . . 30 ARG N . 11291 1 285 . 1 1 31 31 PRO HA H 1 5.147 0.030 . 1 . . . . 31 PRO HA . 11291 1 286 . 1 1 31 31 PRO HB2 H 1 2.413 0.030 . 2 . . . . 31 PRO HB2 . 11291 1 287 . 1 1 31 31 PRO HB3 H 1 1.832 0.030 . 2 . . . . 31 PRO HB3 . 11291 1 288 . 1 1 31 31 PRO HD2 H 1 4.023 0.030 . 2 . . . . 31 PRO HD2 . 11291 1 289 . 1 1 31 31 PRO HD3 H 1 3.618 0.030 . 2 . . . . 31 PRO HD3 . 11291 1 290 . 1 1 31 31 PRO HG2 H 1 2.123 0.030 . 2 . . . . 31 PRO HG2 . 11291 1 291 . 1 1 31 31 PRO HG3 H 1 2.057 0.030 . 2 . . . . 31 PRO HG3 . 11291 1 292 . 1 1 31 31 PRO CA C 13 61.968 0.300 . 1 . . . . 31 PRO CA . 11291 1 293 . 1 1 31 31 PRO CB C 13 30.578 0.300 . 1 . . . . 31 PRO CB . 11291 1 294 . 1 1 31 31 PRO CD C 13 50.956 0.300 . 1 . . . . 31 PRO CD . 11291 1 295 . 1 1 31 31 PRO CG C 13 27.820 0.300 . 1 . . . . 31 PRO CG . 11291 1 296 . 1 1 32 32 PRO HA H 1 4.329 0.030 . 1 . . . . 32 PRO HA . 11291 1 297 . 1 1 32 32 PRO HB2 H 1 2.397 0.030 . 2 . . . . 32 PRO HB2 . 11291 1 298 . 1 1 32 32 PRO HB3 H 1 1.496 0.030 . 2 . . . . 32 PRO HB3 . 11291 1 299 . 1 1 32 32 PRO HD2 H 1 4.316 0.030 . 2 . . . . 32 PRO HD2 . 11291 1 300 . 1 1 32 32 PRO HD3 H 1 3.503 0.030 . 2 . . . . 32 PRO HD3 . 11291 1 301 . 1 1 32 32 PRO HG2 H 1 1.983 0.030 . 2 . . . . 32 PRO HG2 . 11291 1 302 . 1 1 32 32 PRO HG3 H 1 1.644 0.030 . 2 . . . . 32 PRO HG3 . 11291 1 303 . 1 1 32 32 PRO C C 13 175.260 0.300 . 1 . . . . 32 PRO C . 11291 1 304 . 1 1 32 32 PRO CA C 13 62.239 0.300 . 1 . . . . 32 PRO CA . 11291 1 305 . 1 1 32 32 PRO CB C 13 33.784 0.300 . 1 . . . . 32 PRO CB . 11291 1 306 . 1 1 32 32 PRO CD C 13 51.905 0.300 . 1 . . . . 32 PRO CD . 11291 1 307 . 1 1 32 32 PRO CG C 13 27.710 0.300 . 1 . . . . 32 PRO CG . 11291 1 308 . 1 1 33 33 ASP H H 1 8.435 0.030 . 1 . . . . 33 ASP H . 11291 1 309 . 1 1 33 33 ASP HA H 1 4.329 0.030 . 1 . . . . 33 ASP HA . 11291 1 310 . 1 1 33 33 ASP HB2 H 1 2.573 0.030 . 2 . . . . 33 ASP HB2 . 11291 1 311 . 1 1 33 33 ASP HB3 H 1 2.481 0.030 . 2 . . . . 33 ASP HB3 . 11291 1 312 . 1 1 33 33 ASP C C 13 175.968 0.300 . 1 . . . . 33 ASP C . 11291 1 313 . 1 1 33 33 ASP CA C 13 55.892 0.300 . 1 . . . . 33 ASP CA . 11291 1 314 . 1 1 33 33 ASP CB C 13 41.865 0.300 . 1 . . . . 33 ASP CB . 11291 1 315 . 1 1 33 33 ASP N N 15 120.002 0.300 . 1 . . . . 33 ASP N . 11291 1 316 . 1 1 34 34 ARG H H 1 8.011 0.030 . 1 . . . . 34 ARG H . 11291 1 317 . 1 1 34 34 ARG HA H 1 4.496 0.030 . 1 . . . . 34 ARG HA . 11291 1 318 . 1 1 34 34 ARG HB2 H 1 1.742 0.030 . 2 . . . . 34 ARG HB2 . 11291 1 319 . 1 1 34 34 ARG HB3 H 1 1.618 0.030 . 2 . . . . 34 ARG HB3 . 11291 1 320 . 1 1 34 34 ARG HD2 H 1 3.197 0.030 . 1 . . . . 34 ARG HD2 . 11291 1 321 . 1 1 34 34 ARG HD3 H 1 3.197 0.030 . 1 . . . . 34 ARG HD3 . 11291 1 322 . 1 1 34 34 ARG HG2 H 1 1.574 0.030 . 2 . . . . 34 ARG HG2 . 11291 1 323 . 1 1 34 34 ARG HG3 H 1 1.385 0.030 . 2 . . . . 34 ARG HG3 . 11291 1 324 . 1 1 34 34 ARG C C 13 174.389 0.300 . 1 . . . . 34 ARG C . 11291 1 325 . 1 1 34 34 ARG CA C 13 54.951 0.300 . 1 . . . . 34 ARG CA . 11291 1 326 . 1 1 34 34 ARG CB C 13 31.270 0.300 . 1 . . . . 34 ARG CB . 11291 1 327 . 1 1 34 34 ARG CD C 13 43.321 0.300 . 1 . . . . 34 ARG CD . 11291 1 328 . 1 1 34 34 ARG CG C 13 26.836 0.300 . 1 . . . . 34 ARG CG . 11291 1 329 . 1 1 34 34 ARG N N 15 118.851 0.300 . 1 . . . . 34 ARG N . 11291 1 330 . 1 1 35 35 ILE H H 1 8.414 0.030 . 1 . . . . 35 ILE H . 11291 1 331 . 1 1 35 35 ILE HA H 1 4.005 0.030 . 1 . . . . 35 ILE HA . 11291 1 332 . 1 1 35 35 ILE HB H 1 1.790 0.030 . 1 . . . . 35 ILE HB . 11291 1 333 . 1 1 35 35 ILE HD11 H 1 0.876 0.030 . 1 . . . . 35 ILE HD1 . 11291 1 334 . 1 1 35 35 ILE HD12 H 1 0.876 0.030 . 1 . . . . 35 ILE HD1 . 11291 1 335 . 1 1 35 35 ILE HD13 H 1 0.876 0.030 . 1 . . . . 35 ILE HD1 . 11291 1 336 . 1 1 35 35 ILE HG12 H 1 1.530 0.030 . 2 . . . . 35 ILE HG12 . 11291 1 337 . 1 1 35 35 ILE HG13 H 1 0.887 0.030 . 2 . . . . 35 ILE HG13 . 11291 1 338 . 1 1 35 35 ILE HG21 H 1 0.905 0.030 . 1 . . . . 35 ILE HG2 . 11291 1 339 . 1 1 35 35 ILE HG22 H 1 0.905 0.030 . 1 . . . . 35 ILE HG2 . 11291 1 340 . 1 1 35 35 ILE HG23 H 1 0.905 0.030 . 1 . . . . 35 ILE HG2 . 11291 1 341 . 1 1 35 35 ILE C C 13 176.265 0.300 . 1 . . . . 35 ILE C . 11291 1 342 . 1 1 35 35 ILE CA C 13 61.987 0.300 . 1 . . . . 35 ILE CA . 11291 1 343 . 1 1 35 35 ILE CB C 13 38.865 0.300 . 1 . . . . 35 ILE CB . 11291 1 344 . 1 1 35 35 ILE CD1 C 13 12.997 0.300 . 1 . . . . 35 ILE CD1 . 11291 1 345 . 1 1 35 35 ILE CG1 C 13 27.774 0.300 . 1 . . . . 35 ILE CG1 . 11291 1 346 . 1 1 35 35 ILE CG2 C 13 17.225 0.300 . 1 . . . . 35 ILE CG2 . 11291 1 347 . 1 1 35 35 ILE N N 15 125.753 0.300 . 1 . . . . 35 ILE N . 11291 1 348 . 1 1 36 36 GLY H H 1 8.068 0.030 . 1 . . . . 36 GLY H . 11291 1 349 . 1 1 36 36 GLY HA2 H 1 4.055 0.030 . 2 . . . . 36 GLY HA2 . 11291 1 350 . 1 1 36 36 GLY HA3 H 1 3.959 0.030 . 2 . . . . 36 GLY HA3 . 11291 1 351 . 1 1 36 36 GLY C C 13 175.233 0.300 . 1 . . . . 36 GLY C . 11291 1 352 . 1 1 36 36 GLY CA C 13 44.424 0.300 . 1 . . . . 36 GLY CA . 11291 1 353 . 1 1 36 36 GLY N N 15 108.134 0.300 . 1 . . . . 36 GLY N . 11291 1 354 . 1 1 37 37 ALA H H 1 8.571 0.030 . 1 . . . . 37 ALA H . 11291 1 355 . 1 1 37 37 ALA HA H 1 4.059 0.030 . 1 . . . . 37 ALA HA . 11291 1 356 . 1 1 37 37 ALA HB1 H 1 1.377 0.030 . 1 . . . . 37 ALA HB . 11291 1 357 . 1 1 37 37 ALA HB2 H 1 1.377 0.030 . 1 . . . . 37 ALA HB . 11291 1 358 . 1 1 37 37 ALA HB3 H 1 1.377 0.030 . 1 . . . . 37 ALA HB . 11291 1 359 . 1 1 37 37 ALA C C 13 179.124 0.300 . 1 . . . . 37 ALA C . 11291 1 360 . 1 1 37 37 ALA CA C 13 54.301 0.300 . 1 . . . . 37 ALA CA . 11291 1 361 . 1 1 37 37 ALA CB C 13 18.741 0.300 . 1 . . . . 37 ALA CB . 11291 1 362 . 1 1 37 37 ALA N N 15 122.944 0.300 . 1 . . . . 37 ALA N . 11291 1 363 . 1 1 38 38 GLY H H 1 9.046 0.030 . 1 . . . . 38 GLY H . 11291 1 364 . 1 1 38 38 GLY HA2 H 1 3.941 0.030 . 2 . . . . 38 GLY HA2 . 11291 1 365 . 1 1 38 38 GLY HA3 H 1 3.645 0.030 . 2 . . . . 38 GLY HA3 . 11291 1 366 . 1 1 38 38 GLY C C 13 174.414 0.300 . 1 . . . . 38 GLY C . 11291 1 367 . 1 1 38 38 GLY CA C 13 45.349 0.300 . 1 . . . . 38 GLY CA . 11291 1 368 . 1 1 38 38 GLY N N 15 106.776 0.300 . 1 . . . . 38 GLY N . 11291 1 369 . 1 1 39 39 GLY H H 1 7.575 0.030 . 1 . . . . 39 GLY H . 11291 1 370 . 1 1 39 39 GLY HA2 H 1 4.082 0.030 . 2 . . . . 39 GLY HA2 . 11291 1 371 . 1 1 39 39 GLY HA3 H 1 3.579 0.030 . 2 . . . . 39 GLY HA3 . 11291 1 372 . 1 1 39 39 GLY C C 13 170.725 0.300 . 1 . . . . 39 GLY C . 11291 1 373 . 1 1 39 39 GLY CA C 13 44.875 0.300 . 1 . . . . 39 GLY CA . 11291 1 374 . 1 1 39 39 GLY N N 15 106.701 0.300 . 1 . . . . 39 GLY N . 11291 1 375 . 1 1 40 40 ILE H H 1 8.180 0.030 . 1 . . . . 40 ILE H . 11291 1 376 . 1 1 40 40 ILE HA H 1 4.446 0.030 . 1 . . . . 40 ILE HA . 11291 1 377 . 1 1 40 40 ILE HB H 1 1.708 0.030 . 1 . . . . 40 ILE HB . 11291 1 378 . 1 1 40 40 ILE HD11 H 1 0.760 0.030 . 1 . . . . 40 ILE HD1 . 11291 1 379 . 1 1 40 40 ILE HD12 H 1 0.760 0.030 . 1 . . . . 40 ILE HD1 . 11291 1 380 . 1 1 40 40 ILE HD13 H 1 0.760 0.030 . 1 . . . . 40 ILE HD1 . 11291 1 381 . 1 1 40 40 ILE HG12 H 1 1.439 0.030 . 2 . . . . 40 ILE HG12 . 11291 1 382 . 1 1 40 40 ILE HG13 H 1 0.933 0.030 . 2 . . . . 40 ILE HG13 . 11291 1 383 . 1 1 40 40 ILE HG21 H 1 0.934 0.030 . 1 . . . . 40 ILE HG2 . 11291 1 384 . 1 1 40 40 ILE HG22 H 1 0.934 0.030 . 1 . . . . 40 ILE HG2 . 11291 1 385 . 1 1 40 40 ILE HG23 H 1 0.934 0.030 . 1 . . . . 40 ILE HG2 . 11291 1 386 . 1 1 40 40 ILE C C 13 173.902 0.300 . 1 . . . . 40 ILE C . 11291 1 387 . 1 1 40 40 ILE CA C 13 59.636 0.300 . 1 . . . . 40 ILE CA . 11291 1 388 . 1 1 40 40 ILE CB C 13 41.212 0.300 . 1 . . . . 40 ILE CB . 11291 1 389 . 1 1 40 40 ILE CD1 C 13 14.083 0.300 . 1 . . . . 40 ILE CD1 . 11291 1 390 . 1 1 40 40 ILE CG1 C 13 29.658 0.300 . 1 . . . . 40 ILE CG1 . 11291 1 391 . 1 1 40 40 ILE CG2 C 13 15.580 0.300 . 1 . . . . 40 ILE CG2 . 11291 1 392 . 1 1 40 40 ILE N N 15 115.411 0.300 . 1 . . . . 40 ILE N . 11291 1 393 . 1 1 41 41 ASP H H 1 9.117 0.030 . 1 . . . . 41 ASP H . 11291 1 394 . 1 1 41 41 ASP HA H 1 4.666 0.030 . 1 . . . . 41 ASP HA . 11291 1 395 . 1 1 41 41 ASP HB2 H 1 2.592 0.030 . 2 . . . . 41 ASP HB2 . 11291 1 396 . 1 1 41 41 ASP HB3 H 1 2.234 0.030 . 2 . . . . 41 ASP HB3 . 11291 1 397 . 1 1 41 41 ASP C C 13 175.655 0.300 . 1 . . . . 41 ASP C . 11291 1 398 . 1 1 41 41 ASP CA C 13 55.352 0.300 . 1 . . . . 41 ASP CA . 11291 1 399 . 1 1 41 41 ASP CB C 13 41.267 0.300 . 1 . . . . 41 ASP CB . 11291 1 400 . 1 1 41 41 ASP N N 15 127.489 0.300 . 1 . . . . 41 ASP N . 11291 1 401 . 1 1 42 42 GLY H H 1 7.077 0.030 . 1 . . . . 42 GLY H . 11291 1 402 . 1 1 42 42 GLY HA2 H 1 4.047 0.030 . 2 . . . . 42 GLY HA2 . 11291 1 403 . 1 1 42 42 GLY HA3 H 1 3.499 0.030 . 2 . . . . 42 GLY HA3 . 11291 1 404 . 1 1 42 42 GLY C C 13 170.730 0.300 . 1 . . . . 42 GLY C . 11291 1 405 . 1 1 42 42 GLY CA C 13 44.458 0.300 . 1 . . . . 42 GLY CA . 11291 1 406 . 1 1 42 42 GLY N N 15 104.139 0.300 . 1 . . . . 42 GLY N . 11291 1 407 . 1 1 43 43 TYR H H 1 9.194 0.030 . 1 . . . . 43 TYR H . 11291 1 408 . 1 1 43 43 TYR HA H 1 5.631 0.030 . 1 . . . . 43 TYR HA . 11291 1 409 . 1 1 43 43 TYR HB2 H 1 2.832 0.030 . 2 . . . . 43 TYR HB2 . 11291 1 410 . 1 1 43 43 TYR HB3 H 1 2.624 0.030 . 2 . . . . 43 TYR HB3 . 11291 1 411 . 1 1 43 43 TYR HD1 H 1 6.608 0.030 . 3 . . . . 43 TYR HD1 . 11291 1 412 . 1 1 43 43 TYR HD2 H 1 7.668 0.030 . 3 . . . . 43 TYR HD2 . 11291 1 413 . 1 1 43 43 TYR HE1 H 1 6.425 0.030 . 3 . . . . 43 TYR HE1 . 11291 1 414 . 1 1 43 43 TYR HE2 H 1 6.908 0.030 . 3 . . . . 43 TYR HE2 . 11291 1 415 . 1 1 43 43 TYR C C 13 176.139 0.300 . 1 . . . . 43 TYR C . 11291 1 416 . 1 1 43 43 TYR CA C 13 56.655 0.300 . 1 . . . . 43 TYR CA . 11291 1 417 . 1 1 43 43 TYR CB C 13 42.580 0.300 . 1 . . . . 43 TYR CB . 11291 1 418 . 1 1 43 43 TYR CD1 C 13 132.429 0.300 . 3 . . . . 43 TYR CD1 . 11291 1 419 . 1 1 43 43 TYR CD2 C 13 136.493 0.300 . 3 . . . . 43 TYR CD2 . 11291 1 420 . 1 1 43 43 TYR CE1 C 13 117.133 0.300 . 3 . . . . 43 TYR CE1 . 11291 1 421 . 1 1 43 43 TYR CE2 C 13 119.438 0.300 . 3 . . . . 43 TYR CE2 . 11291 1 422 . 1 1 43 43 TYR N N 15 117.114 0.300 . 1 . . . . 43 TYR N . 11291 1 423 . 1 1 44 44 LEU H H 1 8.904 0.030 . 1 . . . . 44 LEU H . 11291 1 424 . 1 1 44 44 LEU HA H 1 4.591 0.030 . 1 . . . . 44 LEU HA . 11291 1 425 . 1 1 44 44 LEU HB2 H 1 1.631 0.030 . 2 . . . . 44 LEU HB2 . 11291 1 426 . 1 1 44 44 LEU HB3 H 1 1.419 0.030 . 2 . . . . 44 LEU HB3 . 11291 1 427 . 1 1 44 44 LEU HD11 H 1 0.762 0.030 . 1 . . . . 44 LEU HD1 . 11291 1 428 . 1 1 44 44 LEU HD12 H 1 0.762 0.030 . 1 . . . . 44 LEU HD1 . 11291 1 429 . 1 1 44 44 LEU HD13 H 1 0.762 0.030 . 1 . . . . 44 LEU HD1 . 11291 1 430 . 1 1 44 44 LEU HD21 H 1 0.653 0.030 . 1 . . . . 44 LEU HD2 . 11291 1 431 . 1 1 44 44 LEU HD22 H 1 0.653 0.030 . 1 . . . . 44 LEU HD2 . 11291 1 432 . 1 1 44 44 LEU HD23 H 1 0.653 0.030 . 1 . . . . 44 LEU HD2 . 11291 1 433 . 1 1 44 44 LEU HG H 1 1.273 0.030 . 1 . . . . 44 LEU HG . 11291 1 434 . 1 1 44 44 LEU C C 13 174.196 0.300 . 1 . . . . 44 LEU C . 11291 1 435 . 1 1 44 44 LEU CA C 13 54.032 0.300 . 1 . . . . 44 LEU CA . 11291 1 436 . 1 1 44 44 LEU CB C 13 42.775 0.300 . 1 . . . . 44 LEU CB . 11291 1 437 . 1 1 44 44 LEU CD1 C 13 25.903 0.300 . 2 . . . . 44 LEU CD1 . 11291 1 438 . 1 1 44 44 LEU CD2 C 13 22.299 0.300 . 2 . . . . 44 LEU CD2 . 11291 1 439 . 1 1 44 44 LEU CG C 13 26.596 0.300 . 1 . . . . 44 LEU CG . 11291 1 440 . 1 1 44 44 LEU N N 15 122.215 0.300 . 1 . . . . 44 LEU N . 11291 1 441 . 1 1 45 45 VAL H H 1 9.298 0.030 . 1 . . . . 45 VAL H . 11291 1 442 . 1 1 45 45 VAL HA H 1 4.625 0.030 . 1 . . . . 45 VAL HA . 11291 1 443 . 1 1 45 45 VAL HB H 1 1.812 0.030 . 1 . . . . 45 VAL HB . 11291 1 444 . 1 1 45 45 VAL HG11 H 1 1.016 0.030 . 1 . . . . 45 VAL HG1 . 11291 1 445 . 1 1 45 45 VAL HG12 H 1 1.016 0.030 . 1 . . . . 45 VAL HG1 . 11291 1 446 . 1 1 45 45 VAL HG13 H 1 1.016 0.030 . 1 . . . . 45 VAL HG1 . 11291 1 447 . 1 1 45 45 VAL HG21 H 1 0.649 0.030 . 1 . . . . 45 VAL HG2 . 11291 1 448 . 1 1 45 45 VAL HG22 H 1 0.649 0.030 . 1 . . . . 45 VAL HG2 . 11291 1 449 . 1 1 45 45 VAL HG23 H 1 0.649 0.030 . 1 . . . . 45 VAL HG2 . 11291 1 450 . 1 1 45 45 VAL C C 13 175.828 0.300 . 1 . . . . 45 VAL C . 11291 1 451 . 1 1 45 45 VAL CA C 13 61.043 0.300 . 1 . . . . 45 VAL CA . 11291 1 452 . 1 1 45 45 VAL CB C 13 32.417 0.300 . 1 . . . . 45 VAL CB . 11291 1 453 . 1 1 45 45 VAL CG1 C 13 21.765 0.300 . 2 . . . . 45 VAL CG1 . 11291 1 454 . 1 1 45 45 VAL CG2 C 13 21.538 0.300 . 2 . . . . 45 VAL CG2 . 11291 1 455 . 1 1 45 45 VAL N N 15 123.942 0.300 . 1 . . . . 45 VAL N . 11291 1 456 . 1 1 46 46 GLU H H 1 9.326 0.030 . 1 . . . . 46 GLU H . 11291 1 457 . 1 1 46 46 GLU HA H 1 5.625 0.030 . 1 . . . . 46 GLU HA . 11291 1 458 . 1 1 46 46 GLU HB2 H 1 2.014 0.030 . 1 . . . . 46 GLU HB2 . 11291 1 459 . 1 1 46 46 GLU HB3 H 1 2.014 0.030 . 1 . . . . 46 GLU HB3 . 11291 1 460 . 1 1 46 46 GLU HG2 H 1 1.861 0.030 . 1 . . . . 46 GLU HG2 . 11291 1 461 . 1 1 46 46 GLU HG3 H 1 1.861 0.030 . 1 . . . . 46 GLU HG3 . 11291 1 462 . 1 1 46 46 GLU C C 13 174.524 0.300 . 1 . . . . 46 GLU C . 11291 1 463 . 1 1 46 46 GLU CA C 13 53.873 0.300 . 1 . . . . 46 GLU CA . 11291 1 464 . 1 1 46 46 GLU CB C 13 35.976 0.300 . 1 . . . . 46 GLU CB . 11291 1 465 . 1 1 46 46 GLU CG C 13 35.971 0.300 . 1 . . . . 46 GLU CG . 11291 1 466 . 1 1 46 46 GLU N N 15 127.574 0.300 . 1 . . . . 46 GLU N . 11291 1 467 . 1 1 47 47 TYR H H 1 9.155 0.030 . 1 . . . . 47 TYR H . 11291 1 468 . 1 1 47 47 TYR HA H 1 5.925 0.030 . 1 . . . . 47 TYR HA . 11291 1 469 . 1 1 47 47 TYR HB2 H 1 2.664 0.030 . 2 . . . . 47 TYR HB2 . 11291 1 470 . 1 1 47 47 TYR HB3 H 1 2.490 0.030 . 2 . . . . 47 TYR HB3 . 11291 1 471 . 1 1 47 47 TYR HD1 H 1 6.641 0.030 . 1 . . . . 47 TYR HD1 . 11291 1 472 . 1 1 47 47 TYR HD2 H 1 6.641 0.030 . 1 . . . . 47 TYR HD2 . 11291 1 473 . 1 1 47 47 TYR HE1 H 1 6.578 0.030 . 1 . . . . 47 TYR HE1 . 11291 1 474 . 1 1 47 47 TYR HE2 H 1 6.578 0.030 . 1 . . . . 47 TYR HE2 . 11291 1 475 . 1 1 47 47 TYR C C 13 172.654 0.300 . 1 . . . . 47 TYR C . 11291 1 476 . 1 1 47 47 TYR CA C 13 55.565 0.300 . 1 . . . . 47 TYR CA . 11291 1 477 . 1 1 47 47 TYR CB C 13 42.532 0.300 . 1 . . . . 47 TYR CB . 11291 1 478 . 1 1 47 47 TYR CD1 C 13 132.821 0.300 . 1 . . . . 47 TYR CD1 . 11291 1 479 . 1 1 47 47 TYR CD2 C 13 132.821 0.300 . 1 . . . . 47 TYR CD2 . 11291 1 480 . 1 1 47 47 TYR CE1 C 13 117.711 0.300 . 1 . . . . 47 TYR CE1 . 11291 1 481 . 1 1 47 47 TYR CE2 C 13 117.711 0.300 . 1 . . . . 47 TYR CE2 . 11291 1 482 . 1 1 47 47 TYR N N 15 117.604 0.300 . 1 . . . . 47 TYR N . 11291 1 483 . 1 1 48 48 CYS H H 1 8.315 0.030 . 1 . . . . 48 CYS H . 11291 1 484 . 1 1 48 48 CYS HA H 1 4.367 0.030 . 1 . . . . 48 CYS HA . 11291 1 485 . 1 1 48 48 CYS HB2 H 1 0.949 0.030 . 2 . . . . 48 CYS HB2 . 11291 1 486 . 1 1 48 48 CYS HB3 H 1 0.257 0.030 . 2 . . . . 48 CYS HB3 . 11291 1 487 . 1 1 48 48 CYS C C 13 174.110 0.300 . 1 . . . . 48 CYS C . 11291 1 488 . 1 1 48 48 CYS CA C 13 56.143 0.300 . 1 . . . . 48 CYS CA . 11291 1 489 . 1 1 48 48 CYS CB C 13 27.781 0.300 . 1 . . . . 48 CYS CB . 11291 1 490 . 1 1 48 48 CYS N N 15 119.710 0.300 . 1 . . . . 48 CYS N . 11291 1 491 . 1 1 49 49 LEU H H 1 8.709 0.030 . 1 . . . . 49 LEU H . 11291 1 492 . 1 1 49 49 LEU HA H 1 4.267 0.030 . 1 . . . . 49 LEU HA . 11291 1 493 . 1 1 49 49 LEU HB2 H 1 1.641 0.030 . 2 . . . . 49 LEU HB2 . 11291 1 494 . 1 1 49 49 LEU HB3 H 1 1.498 0.030 . 2 . . . . 49 LEU HB3 . 11291 1 495 . 1 1 49 49 LEU HD11 H 1 0.901 0.030 . 1 . . . . 49 LEU HD1 . 11291 1 496 . 1 1 49 49 LEU HD12 H 1 0.901 0.030 . 1 . . . . 49 LEU HD1 . 11291 1 497 . 1 1 49 49 LEU HD13 H 1 0.901 0.030 . 1 . . . . 49 LEU HD1 . 11291 1 498 . 1 1 49 49 LEU HD21 H 1 0.973 0.030 . 1 . . . . 49 LEU HD2 . 11291 1 499 . 1 1 49 49 LEU HD22 H 1 0.973 0.030 . 1 . . . . 49 LEU HD2 . 11291 1 500 . 1 1 49 49 LEU HD23 H 1 0.973 0.030 . 1 . . . . 49 LEU HD2 . 11291 1 501 . 1 1 49 49 LEU HG H 1 1.734 0.030 . 1 . . . . 49 LEU HG . 11291 1 502 . 1 1 49 49 LEU C C 13 176.994 0.300 . 1 . . . . 49 LEU C . 11291 1 503 . 1 1 49 49 LEU CA C 13 55.761 0.300 . 1 . . . . 49 LEU CA . 11291 1 504 . 1 1 49 49 LEU CB C 13 41.948 0.300 . 1 . . . . 49 LEU CB . 11291 1 505 . 1 1 49 49 LEU CD1 C 13 24.261 0.300 . 2 . . . . 49 LEU CD1 . 11291 1 506 . 1 1 49 49 LEU CD2 C 13 24.822 0.300 . 2 . . . . 49 LEU CD2 . 11291 1 507 . 1 1 49 49 LEU CG C 13 28.593 0.300 . 1 . . . . 49 LEU CG . 11291 1 508 . 1 1 49 49 LEU N N 15 130.259 0.300 . 1 . . . . 49 LEU N . 11291 1 509 . 1 1 50 50 GLU H H 1 8.427 0.030 . 1 . . . . 50 GLU H . 11291 1 510 . 1 1 50 50 GLU HA H 1 3.903 0.030 . 1 . . . . 50 GLU HA . 11291 1 511 . 1 1 50 50 GLU HB2 H 1 1.991 0.030 . 2 . . . . 50 GLU HB2 . 11291 1 512 . 1 1 50 50 GLU HB3 H 1 1.748 0.030 . 2 . . . . 50 GLU HB3 . 11291 1 513 . 1 1 50 50 GLU HG2 H 1 2.141 0.030 . 1 . . . . 50 GLU HG2 . 11291 1 514 . 1 1 50 50 GLU HG3 H 1 2.141 0.030 . 1 . . . . 50 GLU HG3 . 11291 1 515 . 1 1 50 50 GLU C C 13 177.270 0.300 . 1 . . . . 50 GLU C . 11291 1 516 . 1 1 50 50 GLU CA C 13 58.449 0.300 . 1 . . . . 50 GLU CA . 11291 1 517 . 1 1 50 50 GLU CB C 13 30.009 0.300 . 1 . . . . 50 GLU CB . 11291 1 518 . 1 1 50 50 GLU CG C 13 36.277 0.300 . 1 . . . . 50 GLU CG . 11291 1 519 . 1 1 50 50 GLU N N 15 123.275 0.300 . 1 . . . . 50 GLU N . 11291 1 520 . 1 1 51 51 GLY H H 1 8.901 0.030 . 1 . . . . 51 GLY H . 11291 1 521 . 1 1 51 51 GLY HA2 H 1 4.246 0.030 . 2 . . . . 51 GLY HA2 . 11291 1 522 . 1 1 51 51 GLY HA3 H 1 3.635 0.030 . 2 . . . . 51 GLY HA3 . 11291 1 523 . 1 1 51 51 GLY C C 13 173.576 0.300 . 1 . . . . 51 GLY C . 11291 1 524 . 1 1 51 51 GLY CA C 13 45.162 0.300 . 1 . . . . 51 GLY CA . 11291 1 525 . 1 1 51 51 GLY N N 15 115.745 0.300 . 1 . . . . 51 GLY N . 11291 1 526 . 1 1 52 52 SER H H 1 8.032 0.030 . 1 . . . . 52 SER H . 11291 1 527 . 1 1 52 52 SER HA H 1 4.587 0.030 . 1 . . . . 52 SER HA . 11291 1 528 . 1 1 52 52 SER HB2 H 1 3.931 0.030 . 2 . . . . 52 SER HB2 . 11291 1 529 . 1 1 52 52 SER HB3 H 1 3.758 0.030 . 2 . . . . 52 SER HB3 . 11291 1 530 . 1 1 52 52 SER C C 13 173.239 0.300 . 1 . . . . 52 SER C . 11291 1 531 . 1 1 52 52 SER CA C 13 56.349 0.300 . 1 . . . . 52 SER CA . 11291 1 532 . 1 1 52 52 SER CB C 13 65.022 0.300 . 1 . . . . 52 SER CB . 11291 1 533 . 1 1 52 52 SER N N 15 115.685 0.300 . 1 . . . . 52 SER N . 11291 1 534 . 1 1 53 53 GLU H H 1 8.384 0.030 . 1 . . . . 53 GLU H . 11291 1 535 . 1 1 53 53 GLU HA H 1 4.311 0.030 . 1 . . . . 53 GLU HA . 11291 1 536 . 1 1 53 53 GLU HB2 H 1 2.252 0.030 . 2 . . . . 53 GLU HB2 . 11291 1 537 . 1 1 53 53 GLU HB3 H 1 1.787 0.030 . 2 . . . . 53 GLU HB3 . 11291 1 538 . 1 1 53 53 GLU HG2 H 1 2.192 0.030 . 2 . . . . 53 GLU HG2 . 11291 1 539 . 1 1 53 53 GLU HG3 H 1 2.141 0.030 . 2 . . . . 53 GLU HG3 . 11291 1 540 . 1 1 53 53 GLU C C 13 175.372 0.300 . 1 . . . . 53 GLU C . 11291 1 541 . 1 1 53 53 GLU CA C 13 55.527 0.300 . 1 . . . . 53 GLU CA . 11291 1 542 . 1 1 53 53 GLU CB C 13 30.402 0.300 . 1 . . . . 53 GLU CB . 11291 1 543 . 1 1 53 53 GLU CG C 13 36.360 0.300 . 1 . . . . 53 GLU CG . 11291 1 544 . 1 1 53 53 GLU N N 15 119.875 0.300 . 1 . . . . 53 GLU N . 11291 1 545 . 1 1 54 54 GLU H H 1 7.626 0.030 . 1 . . . . 54 GLU H . 11291 1 546 . 1 1 54 54 GLU HA H 1 4.348 0.030 . 1 . . . . 54 GLU HA . 11291 1 547 . 1 1 54 54 GLU HB2 H 1 1.825 0.030 . 2 . . . . 54 GLU HB2 . 11291 1 548 . 1 1 54 54 GLU HB3 H 1 1.732 0.030 . 2 . . . . 54 GLU HB3 . 11291 1 549 . 1 1 54 54 GLU HG2 H 1 2.117 0.030 . 2 . . . . 54 GLU HG2 . 11291 1 550 . 1 1 54 54 GLU HG3 H 1 2.016 0.030 . 2 . . . . 54 GLU HG3 . 11291 1 551 . 1 1 54 54 GLU C C 13 173.826 0.300 . 1 . . . . 54 GLU C . 11291 1 552 . 1 1 54 54 GLU CA C 13 55.422 0.300 . 1 . . . . 54 GLU CA . 11291 1 553 . 1 1 54 54 GLU CB C 13 30.747 0.300 . 1 . . . . 54 GLU CB . 11291 1 554 . 1 1 54 54 GLU CG C 13 35.940 0.300 . 1 . . . . 54 GLU CG . 11291 1 555 . 1 1 54 54 GLU N N 15 121.395 0.300 . 1 . . . . 54 GLU N . 11291 1 556 . 1 1 55 55 TRP H H 1 8.396 0.030 . 1 . . . . 55 TRP H . 11291 1 557 . 1 1 55 55 TRP HA H 1 4.317 0.030 . 1 . . . . 55 TRP HA . 11291 1 558 . 1 1 55 55 TRP HB2 H 1 2.769 0.030 . 2 . . . . 55 TRP HB2 . 11291 1 559 . 1 1 55 55 TRP HB3 H 1 2.604 0.030 . 2 . . . . 55 TRP HB3 . 11291 1 560 . 1 1 55 55 TRP HD1 H 1 7.104 0.030 . 1 . . . . 55 TRP HD1 . 11291 1 561 . 1 1 55 55 TRP HE1 H 1 9.891 0.030 . 1 . . . . 55 TRP HE1 . 11291 1 562 . 1 1 55 55 TRP HE3 H 1 6.893 0.030 . 1 . . . . 55 TRP HE3 . 11291 1 563 . 1 1 55 55 TRP HH2 H 1 6.673 0.030 . 1 . . . . 55 TRP HH2 . 11291 1 564 . 1 1 55 55 TRP HZ2 H 1 7.353 0.030 . 1 . . . . 55 TRP HZ2 . 11291 1 565 . 1 1 55 55 TRP HZ3 H 1 6.681 0.030 . 1 . . . . 55 TRP HZ3 . 11291 1 566 . 1 1 55 55 TRP C C 13 176.316 0.300 . 1 . . . . 55 TRP C . 11291 1 567 . 1 1 55 55 TRP CA C 13 56.813 0.300 . 1 . . . . 55 TRP CA . 11291 1 568 . 1 1 55 55 TRP CB C 13 29.073 0.300 . 1 . . . . 55 TRP CB . 11291 1 569 . 1 1 55 55 TRP CD1 C 13 127.851 0.300 . 1 . . . . 55 TRP CD1 . 11291 1 570 . 1 1 55 55 TRP CE3 C 13 118.861 0.300 . 1 . . . . 55 TRP CE3 . 11291 1 571 . 1 1 55 55 TRP CH2 C 13 123.165 0.300 . 1 . . . . 55 TRP CH2 . 11291 1 572 . 1 1 55 55 TRP CZ2 C 13 114.787 0.300 . 1 . . . . 55 TRP CZ2 . 11291 1 573 . 1 1 55 55 TRP CZ3 C 13 121.475 0.300 . 1 . . . . 55 TRP CZ3 . 11291 1 574 . 1 1 55 55 TRP N N 15 126.652 0.300 . 1 . . . . 55 TRP N . 11291 1 575 . 1 1 55 55 TRP NE1 N 15 129.976 0.300 . 1 . . . . 55 TRP NE1 . 11291 1 576 . 1 1 56 56 VAL H H 1 9.646 0.030 . 1 . . . . 56 VAL H . 11291 1 577 . 1 1 56 56 VAL HA H 1 4.263 0.030 . 1 . . . . 56 VAL HA . 11291 1 578 . 1 1 56 56 VAL HB H 1 0.903 0.030 . 1 . . . . 56 VAL HB . 11291 1 579 . 1 1 56 56 VAL HG11 H 1 0.714 0.030 . 1 . . . . 56 VAL HG1 . 11291 1 580 . 1 1 56 56 VAL HG12 H 1 0.714 0.030 . 1 . . . . 56 VAL HG1 . 11291 1 581 . 1 1 56 56 VAL HG13 H 1 0.714 0.030 . 1 . . . . 56 VAL HG1 . 11291 1 582 . 1 1 56 56 VAL HG21 H 1 0.510 0.030 . 1 . . . . 56 VAL HG2 . 11291 1 583 . 1 1 56 56 VAL HG22 H 1 0.510 0.030 . 1 . . . . 56 VAL HG2 . 11291 1 584 . 1 1 56 56 VAL HG23 H 1 0.510 0.030 . 1 . . . . 56 VAL HG2 . 11291 1 585 . 1 1 56 56 VAL C C 13 174.312 0.300 . 1 . . . . 56 VAL C . 11291 1 586 . 1 1 56 56 VAL CA C 13 59.181 0.300 . 1 . . . . 56 VAL CA . 11291 1 587 . 1 1 56 56 VAL CB C 13 33.637 0.300 . 1 . . . . 56 VAL CB . 11291 1 588 . 1 1 56 56 VAL CG1 C 13 20.706 0.300 . 2 . . . . 56 VAL CG1 . 11291 1 589 . 1 1 56 56 VAL CG2 C 13 20.165 0.300 . 2 . . . . 56 VAL CG2 . 11291 1 590 . 1 1 56 56 VAL N N 15 128.200 0.300 . 1 . . . . 56 VAL N . 11291 1 591 . 1 1 57 57 PRO HA H 1 4.661 0.030 . 1 . . . . 57 PRO HA . 11291 1 592 . 1 1 57 57 PRO HB2 H 1 2.486 0.030 . 2 . . . . 57 PRO HB2 . 11291 1 593 . 1 1 57 57 PRO HB3 H 1 1.826 0.030 . 2 . . . . 57 PRO HB3 . 11291 1 594 . 1 1 57 57 PRO HD2 H 1 3.899 0.030 . 2 . . . . 57 PRO HD2 . 11291 1 595 . 1 1 57 57 PRO HD3 H 1 3.733 0.030 . 2 . . . . 57 PRO HD3 . 11291 1 596 . 1 1 57 57 PRO HG2 H 1 2.179 0.030 . 2 . . . . 57 PRO HG2 . 11291 1 597 . 1 1 57 57 PRO HG3 H 1 2.056 0.030 . 2 . . . . 57 PRO HG3 . 11291 1 598 . 1 1 57 57 PRO CA C 13 62.922 0.300 . 1 . . . . 57 PRO CA . 11291 1 599 . 1 1 57 57 PRO CB C 13 32.488 0.300 . 1 . . . . 57 PRO CB . 11291 1 600 . 1 1 57 57 PRO CD C 13 51.206 0.300 . 1 . . . . 57 PRO CD . 11291 1 601 . 1 1 57 57 PRO CG C 13 27.509 0.300 . 1 . . . . 57 PRO CG . 11291 1 602 . 1 1 58 58 ALA H H 1 9.108 0.030 . 1 . . . . 58 ALA H . 11291 1 603 . 1 1 58 58 ALA HA H 1 4.847 0.030 . 1 . . . . 58 ALA HA . 11291 1 604 . 1 1 58 58 ALA HB1 H 1 1.783 0.030 . 1 . . . . 58 ALA HB . 11291 1 605 . 1 1 58 58 ALA HB2 H 1 1.783 0.030 . 1 . . . . 58 ALA HB . 11291 1 606 . 1 1 58 58 ALA HB3 H 1 1.783 0.030 . 1 . . . . 58 ALA HB . 11291 1 607 . 1 1 58 58 ALA CA C 13 52.424 0.300 . 1 . . . . 58 ALA CA . 11291 1 608 . 1 1 58 58 ALA CB C 13 20.375 0.300 . 1 . . . . 58 ALA CB . 11291 1 609 . 1 1 58 58 ALA N N 15 126.420 0.300 . 1 . . . . 58 ALA N . 11291 1 610 . 1 1 59 59 ASN H H 1 8.065 0.030 . 1 . . . . 59 ASN H . 11291 1 611 . 1 1 59 59 ASN HA H 1 4.904 0.030 . 1 . . . . 59 ASN HA . 11291 1 612 . 1 1 59 59 ASN HB2 H 1 2.682 0.030 . 2 . . . . 59 ASN HB2 . 11291 1 613 . 1 1 59 59 ASN HB3 H 1 2.616 0.030 . 2 . . . . 59 ASN HB3 . 11291 1 614 . 1 1 59 59 ASN HD21 H 1 7.661 0.030 . 2 . . . . 59 ASN HD21 . 11291 1 615 . 1 1 59 59 ASN HD22 H 1 6.818 0.030 . 2 . . . . 59 ASN HD22 . 11291 1 616 . 1 1 59 59 ASN CA C 13 52.324 0.300 . 1 . . . . 59 ASN CA . 11291 1 617 . 1 1 59 59 ASN CB C 13 38.228 0.300 . 1 . . . . 59 ASN CB . 11291 1 618 . 1 1 59 59 ASN N N 15 112.333 0.300 . 1 . . . . 59 ASN N . 11291 1 619 . 1 1 59 59 ASN ND2 N 15 114.920 0.300 . 1 . . . . 59 ASN ND2 . 11291 1 620 . 1 1 60 60 LYS HA H 1 4.240 0.030 . 1 . . . . 60 LYS HA . 11291 1 621 . 1 1 60 60 LYS HB2 H 1 1.898 0.030 . 2 . . . . 60 LYS HB2 . 11291 1 622 . 1 1 60 60 LYS HB3 H 1 1.838 0.030 . 2 . . . . 60 LYS HB3 . 11291 1 623 . 1 1 60 60 LYS HD2 H 1 1.722 0.030 . 1 . . . . 60 LYS HD2 . 11291 1 624 . 1 1 60 60 LYS HD3 H 1 1.722 0.030 . 1 . . . . 60 LYS HD3 . 11291 1 625 . 1 1 60 60 LYS HE2 H 1 3.037 0.030 . 1 . . . . 60 LYS HE2 . 11291 1 626 . 1 1 60 60 LYS HE3 H 1 3.037 0.030 . 1 . . . . 60 LYS HE3 . 11291 1 627 . 1 1 60 60 LYS HG2 H 1 1.536 0.030 . 2 . . . . 60 LYS HG2 . 11291 1 628 . 1 1 60 60 LYS HG3 H 1 1.447 0.030 . 2 . . . . 60 LYS HG3 . 11291 1 629 . 1 1 60 60 LYS CA C 13 57.519 0.300 . 1 . . . . 60 LYS CA . 11291 1 630 . 1 1 60 60 LYS CB C 13 33.147 0.300 . 1 . . . . 60 LYS CB . 11291 1 631 . 1 1 60 60 LYS CD C 13 28.911 0.300 . 1 . . . . 60 LYS CD . 11291 1 632 . 1 1 60 60 LYS CE C 13 42.074 0.300 . 1 . . . . 60 LYS CE . 11291 1 633 . 1 1 60 60 LYS CG C 13 25.194 0.300 . 1 . . . . 60 LYS CG . 11291 1 634 . 1 1 61 61 GLU H H 1 7.903 0.030 . 1 . . . . 61 GLU H . 11291 1 635 . 1 1 61 61 GLU HB2 H 1 2.056 0.030 . 2 . . . . 61 GLU HB2 . 11291 1 636 . 1 1 61 61 GLU HB3 H 1 1.932 0.030 . 2 . . . . 61 GLU HB3 . 11291 1 637 . 1 1 61 61 GLU HG2 H 1 2.310 0.030 . 1 . . . . 61 GLU HG2 . 11291 1 638 . 1 1 61 61 GLU HG3 H 1 2.310 0.030 . 1 . . . . 61 GLU HG3 . 11291 1 639 . 1 1 61 61 GLU C C 13 174.336 0.300 . 1 . . . . 61 GLU C . 11291 1 640 . 1 1 61 61 GLU CA C 13 53.083 0.300 . 1 . . . . 61 GLU CA . 11291 1 641 . 1 1 61 61 GLU CB C 13 29.877 0.300 . 1 . . . . 61 GLU CB . 11291 1 642 . 1 1 61 61 GLU CG C 13 35.907 0.300 . 1 . . . . 61 GLU CG . 11291 1 643 . 1 1 61 61 GLU N N 15 117.646 0.300 . 1 . . . . 61 GLU N . 11291 1 644 . 1 1 62 62 PRO HA H 1 4.120 0.030 . 1 . . . . 62 PRO HA . 11291 1 645 . 1 1 62 62 PRO HB2 H 1 1.654 0.030 . 1 . . . . 62 PRO HB2 . 11291 1 646 . 1 1 62 62 PRO HB3 H 1 1.654 0.030 . 1 . . . . 62 PRO HB3 . 11291 1 647 . 1 1 62 62 PRO HD2 H 1 3.904 0.030 . 2 . . . . 62 PRO HD2 . 11291 1 648 . 1 1 62 62 PRO HD3 H 1 3.638 0.030 . 2 . . . . 62 PRO HD3 . 11291 1 649 . 1 1 62 62 PRO HG2 H 1 1.996 0.030 . 2 . . . . 62 PRO HG2 . 11291 1 650 . 1 1 62 62 PRO HG3 H 1 1.658 0.030 . 2 . . . . 62 PRO HG3 . 11291 1 651 . 1 1 62 62 PRO C C 13 176.295 0.300 . 1 . . . . 62 PRO C . 11291 1 652 . 1 1 62 62 PRO CA C 13 63.198 0.300 . 1 . . . . 62 PRO CA . 11291 1 653 . 1 1 62 62 PRO CB C 13 31.654 0.300 . 1 . . . . 62 PRO CB . 11291 1 654 . 1 1 62 62 PRO CD C 13 50.956 0.300 . 1 . . . . 62 PRO CD . 11291 1 655 . 1 1 62 62 PRO CG C 13 27.708 0.300 . 1 . . . . 62 PRO CG . 11291 1 656 . 1 1 63 63 VAL H H 1 8.871 0.030 . 1 . . . . 63 VAL H . 11291 1 657 . 1 1 63 63 VAL HA H 1 4.805 0.030 . 1 . . . . 63 VAL HA . 11291 1 658 . 1 1 63 63 VAL HB H 1 2.524 0.030 . 1 . . . . 63 VAL HB . 11291 1 659 . 1 1 63 63 VAL HG11 H 1 1.482 0.030 . 1 . . . . 63 VAL HG1 . 11291 1 660 . 1 1 63 63 VAL HG12 H 1 1.482 0.030 . 1 . . . . 63 VAL HG1 . 11291 1 661 . 1 1 63 63 VAL HG13 H 1 1.482 0.030 . 1 . . . . 63 VAL HG1 . 11291 1 662 . 1 1 63 63 VAL HG21 H 1 1.469 0.030 . 1 . . . . 63 VAL HG2 . 11291 1 663 . 1 1 63 63 VAL HG22 H 1 1.469 0.030 . 1 . . . . 63 VAL HG2 . 11291 1 664 . 1 1 63 63 VAL HG23 H 1 1.469 0.030 . 1 . . . . 63 VAL HG2 . 11291 1 665 . 1 1 63 63 VAL C C 13 176.374 0.300 . 1 . . . . 63 VAL C . 11291 1 666 . 1 1 63 63 VAL CA C 13 60.209 0.300 . 1 . . . . 63 VAL CA . 11291 1 667 . 1 1 63 63 VAL CB C 13 34.070 0.300 . 1 . . . . 63 VAL CB . 11291 1 668 . 1 1 63 63 VAL CG1 C 13 21.444 0.300 . 2 . . . . 63 VAL CG1 . 11291 1 669 . 1 1 63 63 VAL CG2 C 13 20.500 0.300 . 2 . . . . 63 VAL CG2 . 11291 1 670 . 1 1 63 63 VAL N N 15 120.177 0.300 . 1 . . . . 63 VAL N . 11291 1 671 . 1 1 64 64 GLU H H 1 9.076 0.030 . 1 . . . . 64 GLU H . 11291 1 672 . 1 1 64 64 GLU HA H 1 4.479 0.030 . 1 . . . . 64 GLU HA . 11291 1 673 . 1 1 64 64 GLU HB2 H 1 2.226 0.030 . 2 . . . . 64 GLU HB2 . 11291 1 674 . 1 1 64 64 GLU HB3 H 1 2.136 0.030 . 2 . . . . 64 GLU HB3 . 11291 1 675 . 1 1 64 64 GLU HG2 H 1 2.417 0.030 . 2 . . . . 64 GLU HG2 . 11291 1 676 . 1 1 64 64 GLU HG3 H 1 2.363 0.030 . 2 . . . . 64 GLU HG3 . 11291 1 677 . 1 1 64 64 GLU C C 13 177.090 0.300 . 1 . . . . 64 GLU C . 11291 1 678 . 1 1 64 64 GLU CA C 13 58.268 0.300 . 1 . . . . 64 GLU CA . 11291 1 679 . 1 1 64 64 GLU CB C 13 30.822 0.300 . 1 . . . . 64 GLU CB . 11291 1 680 . 1 1 64 64 GLU CG C 13 36.962 0.300 . 1 . . . . 64 GLU CG . 11291 1 681 . 1 1 64 64 GLU N N 15 124.574 0.300 . 1 . . . . 64 GLU N . 11291 1 682 . 1 1 65 65 ARG H H 1 7.539 0.030 . 1 . . . . 65 ARG H . 11291 1 683 . 1 1 65 65 ARG HA H 1 4.525 0.030 . 1 . . . . 65 ARG HA . 11291 1 684 . 1 1 65 65 ARG HB2 H 1 1.866 0.030 . 1 . . . . 65 ARG HB2 . 11291 1 685 . 1 1 65 65 ARG HB3 H 1 1.866 0.030 . 1 . . . . 65 ARG HB3 . 11291 1 686 . 1 1 65 65 ARG HD2 H 1 3.193 0.030 . 1 . . . . 65 ARG HD2 . 11291 1 687 . 1 1 65 65 ARG HD3 H 1 3.193 0.030 . 1 . . . . 65 ARG HD3 . 11291 1 688 . 1 1 65 65 ARG HG2 H 1 1.718 0.030 . 2 . . . . 65 ARG HG2 . 11291 1 689 . 1 1 65 65 ARG HG3 H 1 1.664 0.030 . 2 . . . . 65 ARG HG3 . 11291 1 690 . 1 1 65 65 ARG C C 13 174.679 0.300 . 1 . . . . 65 ARG C . 11291 1 691 . 1 1 65 65 ARG CA C 13 54.901 0.300 . 1 . . . . 65 ARG CA . 11291 1 692 . 1 1 65 65 ARG CB C 13 31.749 0.300 . 1 . . . . 65 ARG CB . 11291 1 693 . 1 1 65 65 ARG CD C 13 43.454 0.300 . 1 . . . . 65 ARG CD . 11291 1 694 . 1 1 65 65 ARG CG C 13 27.126 0.300 . 1 . . . . 65 ARG CG . 11291 1 695 . 1 1 65 65 ARG N N 15 117.704 0.300 . 1 . . . . 65 ARG N . 11291 1 696 . 1 1 66 66 CYS H H 1 7.843 0.030 . 1 . . . . 66 CYS H . 11291 1 697 . 1 1 66 66 CYS HA H 1 3.413 0.030 . 1 . . . . 66 CYS HA . 11291 1 698 . 1 1 66 66 CYS HB2 H 1 2.208 0.030 . 2 . . . . 66 CYS HB2 . 11291 1 699 . 1 1 66 66 CYS HB3 H 1 2.180 0.030 . 2 . . . . 66 CYS HB3 . 11291 1 700 . 1 1 66 66 CYS C C 13 174.487 0.300 . 1 . . . . 66 CYS C . 11291 1 701 . 1 1 66 66 CYS CA C 13 57.650 0.300 . 1 . . . . 66 CYS CA . 11291 1 702 . 1 1 66 66 CYS CB C 13 25.425 0.300 . 1 . . . . 66 CYS CB . 11291 1 703 . 1 1 66 66 CYS N N 15 118.117 0.300 . 1 . . . . 66 CYS N . 11291 1 704 . 1 1 67 67 GLY H H 1 6.573 0.030 . 1 . . . . 67 GLY H . 11291 1 705 . 1 1 67 67 GLY HA2 H 1 3.437 0.030 . 1 . . . . 67 GLY HA2 . 11291 1 706 . 1 1 67 67 GLY HA3 H 1 3.437 0.030 . 1 . . . . 67 GLY HA3 . 11291 1 707 . 1 1 67 67 GLY C C 13 171.660 0.300 . 1 . . . . 67 GLY C . 11291 1 708 . 1 1 67 67 GLY CA C 13 45.936 0.300 . 1 . . . . 67 GLY CA . 11291 1 709 . 1 1 67 67 GLY N N 15 108.136 0.300 . 1 . . . . 67 GLY N . 11291 1 710 . 1 1 68 68 PHE H H 1 8.067 0.030 . 1 . . . . 68 PHE H . 11291 1 711 . 1 1 68 68 PHE HA H 1 4.621 0.030 . 1 . . . . 68 PHE HA . 11291 1 712 . 1 1 68 68 PHE HB2 H 1 3.795 0.030 . 2 . . . . 68 PHE HB2 . 11291 1 713 . 1 1 68 68 PHE HB3 H 1 2.683 0.030 . 2 . . . . 68 PHE HB3 . 11291 1 714 . 1 1 68 68 PHE HD1 H 1 7.278 0.030 . 1 . . . . 68 PHE HD1 . 11291 1 715 . 1 1 68 68 PHE HD2 H 1 7.278 0.030 . 1 . . . . 68 PHE HD2 . 11291 1 716 . 1 1 68 68 PHE HE1 H 1 7.486 0.030 . 1 . . . . 68 PHE HE1 . 11291 1 717 . 1 1 68 68 PHE HE2 H 1 7.486 0.030 . 1 . . . . 68 PHE HE2 . 11291 1 718 . 1 1 68 68 PHE HZ H 1 7.525 0.030 . 1 . . . . 68 PHE HZ . 11291 1 719 . 1 1 68 68 PHE C C 13 173.391 0.300 . 1 . . . . 68 PHE C . 11291 1 720 . 1 1 68 68 PHE CA C 13 59.434 0.300 . 1 . . . . 68 PHE CA . 11291 1 721 . 1 1 68 68 PHE CB C 13 44.670 0.300 . 1 . . . . 68 PHE CB . 11291 1 722 . 1 1 68 68 PHE CD1 C 13 131.546 0.300 . 1 . . . . 68 PHE CD1 . 11291 1 723 . 1 1 68 68 PHE CD2 C 13 131.546 0.300 . 1 . . . . 68 PHE CD2 . 11291 1 724 . 1 1 68 68 PHE CE1 C 13 131.665 0.300 . 1 . . . . 68 PHE CE1 . 11291 1 725 . 1 1 68 68 PHE CE2 C 13 131.665 0.300 . 1 . . . . 68 PHE CE2 . 11291 1 726 . 1 1 68 68 PHE CZ C 13 130.167 0.300 . 1 . . . . 68 PHE CZ . 11291 1 727 . 1 1 68 68 PHE N N 15 117.972 0.300 . 1 . . . . 68 PHE N . 11291 1 728 . 1 1 69 69 THR H H 1 7.714 0.030 . 1 . . . . 69 THR H . 11291 1 729 . 1 1 69 69 THR HA H 1 4.915 0.030 . 1 . . . . 69 THR HA . 11291 1 730 . 1 1 69 69 THR HB H 1 3.587 0.030 . 1 . . . . 69 THR HB . 11291 1 731 . 1 1 69 69 THR HG21 H 1 0.881 0.030 . 1 . . . . 69 THR HG2 . 11291 1 732 . 1 1 69 69 THR HG22 H 1 0.881 0.030 . 1 . . . . 69 THR HG2 . 11291 1 733 . 1 1 69 69 THR HG23 H 1 0.881 0.030 . 1 . . . . 69 THR HG2 . 11291 1 734 . 1 1 69 69 THR C C 13 171.775 0.300 . 1 . . . . 69 THR C . 11291 1 735 . 1 1 69 69 THR CA C 13 62.039 0.300 . 1 . . . . 69 THR CA . 11291 1 736 . 1 1 69 69 THR CB C 13 69.843 0.300 . 1 . . . . 69 THR CB . 11291 1 737 . 1 1 69 69 THR CG2 C 13 21.089 0.300 . 1 . . . . 69 THR CG2 . 11291 1 738 . 1 1 69 69 THR N N 15 124.437 0.300 . 1 . . . . 69 THR N . 11291 1 739 . 1 1 70 70 VAL H H 1 9.094 0.030 . 1 . . . . 70 VAL H . 11291 1 740 . 1 1 70 70 VAL HA H 1 4.085 0.030 . 1 . . . . 70 VAL HA . 11291 1 741 . 1 1 70 70 VAL HB H 1 2.093 0.030 . 1 . . . . 70 VAL HB . 11291 1 742 . 1 1 70 70 VAL HG11 H 1 1.172 0.030 . 1 . . . . 70 VAL HG1 . 11291 1 743 . 1 1 70 70 VAL HG12 H 1 1.172 0.030 . 1 . . . . 70 VAL HG1 . 11291 1 744 . 1 1 70 70 VAL HG13 H 1 1.172 0.030 . 1 . . . . 70 VAL HG1 . 11291 1 745 . 1 1 70 70 VAL HG21 H 1 1.213 0.030 . 1 . . . . 70 VAL HG2 . 11291 1 746 . 1 1 70 70 VAL HG22 H 1 1.213 0.030 . 1 . . . . 70 VAL HG2 . 11291 1 747 . 1 1 70 70 VAL HG23 H 1 1.213 0.030 . 1 . . . . 70 VAL HG2 . 11291 1 748 . 1 1 70 70 VAL C C 13 174.814 0.300 . 1 . . . . 70 VAL C . 11291 1 749 . 1 1 70 70 VAL CA C 13 62.421 0.300 . 1 . . . . 70 VAL CA . 11291 1 750 . 1 1 70 70 VAL CB C 13 32.167 0.300 . 1 . . . . 70 VAL CB . 11291 1 751 . 1 1 70 70 VAL CG1 C 13 23.418 0.300 . 2 . . . . 70 VAL CG1 . 11291 1 752 . 1 1 70 70 VAL CG2 C 13 22.383 0.300 . 2 . . . . 70 VAL CG2 . 11291 1 753 . 1 1 70 70 VAL N N 15 129.067 0.300 . 1 . . . . 70 VAL N . 11291 1 754 . 1 1 71 71 LYS H H 1 8.272 0.030 . 1 . . . . 71 LYS H . 11291 1 755 . 1 1 71 71 LYS HA H 1 4.828 0.030 . 1 . . . . 71 LYS HA . 11291 1 756 . 1 1 71 71 LYS HB2 H 1 1.742 0.030 . 1 . . . . 71 LYS HB2 . 11291 1 757 . 1 1 71 71 LYS HB3 H 1 1.742 0.030 . 1 . . . . 71 LYS HB3 . 11291 1 758 . 1 1 71 71 LYS HD2 H 1 1.648 0.030 . 2 . . . . 71 LYS HD2 . 11291 1 759 . 1 1 71 71 LYS HD3 H 1 1.602 0.030 . 2 . . . . 71 LYS HD3 . 11291 1 760 . 1 1 71 71 LYS HE2 H 1 2.946 0.030 . 2 . . . . 71 LYS HE2 . 11291 1 761 . 1 1 71 71 LYS HE3 H 1 2.879 0.030 . 2 . . . . 71 LYS HE3 . 11291 1 762 . 1 1 71 71 LYS HG2 H 1 1.327 0.030 . 2 . . . . 71 LYS HG2 . 11291 1 763 . 1 1 71 71 LYS HG3 H 1 1.239 0.030 . 2 . . . . 71 LYS HG3 . 11291 1 764 . 1 1 71 71 LYS C C 13 174.482 0.300 . 1 . . . . 71 LYS C . 11291 1 765 . 1 1 71 71 LYS CA C 13 54.701 0.300 . 1 . . . . 71 LYS CA . 11291 1 766 . 1 1 71 71 LYS CB C 13 35.290 0.300 . 1 . . . . 71 LYS CB . 11291 1 767 . 1 1 71 71 LYS CD C 13 29.384 0.300 . 1 . . . . 71 LYS CD . 11291 1 768 . 1 1 71 71 LYS CE C 13 41.993 0.300 . 1 . . . . 71 LYS CE . 11291 1 769 . 1 1 71 71 LYS CG C 13 24.827 0.300 . 1 . . . . 71 LYS CG . 11291 1 770 . 1 1 71 71 LYS N N 15 125.229 0.300 . 1 . . . . 71 LYS N . 11291 1 771 . 1 1 72 72 ASP H H 1 8.618 0.030 . 1 . . . . 72 ASP H . 11291 1 772 . 1 1 72 72 ASP HA H 1 4.201 0.030 . 1 . . . . 72 ASP HA . 11291 1 773 . 1 1 72 72 ASP HB2 H 1 2.911 0.030 . 2 . . . . 72 ASP HB2 . 11291 1 774 . 1 1 72 72 ASP HB3 H 1 2.771 0.030 . 2 . . . . 72 ASP HB3 . 11291 1 775 . 1 1 72 72 ASP C C 13 175.349 0.300 . 1 . . . . 72 ASP C . 11291 1 776 . 1 1 72 72 ASP CA C 13 55.391 0.300 . 1 . . . . 72 ASP CA . 11291 1 777 . 1 1 72 72 ASP CB C 13 39.196 0.300 . 1 . . . . 72 ASP CB . 11291 1 778 . 1 1 72 72 ASP N N 15 114.734 0.300 . 1 . . . . 72 ASP N . 11291 1 779 . 1 1 73 73 LEU H H 1 8.540 0.030 . 1 . . . . 73 LEU H . 11291 1 780 . 1 1 73 73 LEU HA H 1 4.432 0.030 . 1 . . . . 73 LEU HA . 11291 1 781 . 1 1 73 73 LEU HB2 H 1 1.158 0.030 . 2 . . . . 73 LEU HB2 . 11291 1 782 . 1 1 73 73 LEU HB3 H 1 0.884 0.030 . 2 . . . . 73 LEU HB3 . 11291 1 783 . 1 1 73 73 LEU HD11 H 1 0.682 0.030 . 1 . . . . 73 LEU HD1 . 11291 1 784 . 1 1 73 73 LEU HD12 H 1 0.682 0.030 . 1 . . . . 73 LEU HD1 . 11291 1 785 . 1 1 73 73 LEU HD13 H 1 0.682 0.030 . 1 . . . . 73 LEU HD1 . 11291 1 786 . 1 1 73 73 LEU HD21 H 1 0.164 0.030 . 1 . . . . 73 LEU HD2 . 11291 1 787 . 1 1 73 73 LEU HD22 H 1 0.164 0.030 . 1 . . . . 73 LEU HD2 . 11291 1 788 . 1 1 73 73 LEU HD23 H 1 0.164 0.030 . 1 . . . . 73 LEU HD2 . 11291 1 789 . 1 1 73 73 LEU HG H 1 1.248 0.030 . 1 . . . . 73 LEU HG . 11291 1 790 . 1 1 73 73 LEU C C 13 175.065 0.300 . 1 . . . . 73 LEU C . 11291 1 791 . 1 1 73 73 LEU CA C 13 52.202 0.300 . 1 . . . . 73 LEU CA . 11291 1 792 . 1 1 73 73 LEU CB C 13 42.771 0.300 . 1 . . . . 73 LEU CB . 11291 1 793 . 1 1 73 73 LEU CD1 C 13 26.957 0.300 . 2 . . . . 73 LEU CD1 . 11291 1 794 . 1 1 73 73 LEU CD2 C 13 21.088 0.300 . 2 . . . . 73 LEU CD2 . 11291 1 795 . 1 1 73 73 LEU CG C 13 26.136 0.300 . 1 . . . . 73 LEU CG . 11291 1 796 . 1 1 73 73 LEU N N 15 119.127 0.300 . 1 . . . . 73 LEU N . 11291 1 797 . 1 1 74 74 PRO HA H 1 4.466 0.030 . 1 . . . . 74 PRO HA . 11291 1 798 . 1 1 74 74 PRO HB2 H 1 2.145 0.030 . 2 . . . . 74 PRO HB2 . 11291 1 799 . 1 1 74 74 PRO HB3 H 1 1.934 0.030 . 2 . . . . 74 PRO HB3 . 11291 1 800 . 1 1 74 74 PRO HD2 H 1 3.764 0.030 . 2 . . . . 74 PRO HD2 . 11291 1 801 . 1 1 74 74 PRO HD3 H 1 3.255 0.030 . 2 . . . . 74 PRO HD3 . 11291 1 802 . 1 1 74 74 PRO HG2 H 1 2.131 0.030 . 2 . . . . 74 PRO HG2 . 11291 1 803 . 1 1 74 74 PRO HG3 H 1 2.056 0.030 . 2 . . . . 74 PRO HG3 . 11291 1 804 . 1 1 74 74 PRO C C 13 176.301 0.300 . 1 . . . . 74 PRO C . 11291 1 805 . 1 1 74 74 PRO CA C 13 61.689 0.300 . 1 . . . . 74 PRO CA . 11291 1 806 . 1 1 74 74 PRO CB C 13 31.052 0.300 . 1 . . . . 74 PRO CB . 11291 1 807 . 1 1 74 74 PRO CD C 13 49.796 0.300 . 1 . . . . 74 PRO CD . 11291 1 808 . 1 1 74 74 PRO CG C 13 27.552 0.300 . 1 . . . . 74 PRO CG . 11291 1 809 . 1 1 75 75 THR H H 1 7.787 0.030 . 1 . . . . 75 THR H . 11291 1 810 . 1 1 75 75 THR HA H 1 4.356 0.030 . 1 . . . . 75 THR HA . 11291 1 811 . 1 1 75 75 THR HB H 1 3.804 0.030 . 1 . . . . 75 THR HB . 11291 1 812 . 1 1 75 75 THR HG21 H 1 1.372 0.030 . 1 . . . . 75 THR HG2 . 11291 1 813 . 1 1 75 75 THR HG22 H 1 1.372 0.030 . 1 . . . . 75 THR HG2 . 11291 1 814 . 1 1 75 75 THR HG23 H 1 1.372 0.030 . 1 . . . . 75 THR HG2 . 11291 1 815 . 1 1 75 75 THR C C 13 176.996 0.300 . 1 . . . . 75 THR C . 11291 1 816 . 1 1 75 75 THR CA C 13 64.169 0.300 . 1 . . . . 75 THR CA . 11291 1 817 . 1 1 75 75 THR CB C 13 69.769 0.300 . 1 . . . . 75 THR CB . 11291 1 818 . 1 1 75 75 THR CG2 C 13 22.108 0.300 . 1 . . . . 75 THR CG2 . 11291 1 819 . 1 1 75 75 THR N N 15 121.003 0.300 . 1 . . . . 75 THR N . 11291 1 820 . 1 1 76 76 GLY H H 1 10.087 0.030 . 1 . . . . 76 GLY H . 11291 1 821 . 1 1 76 76 GLY HA2 H 1 4.229 0.030 . 2 . . . . 76 GLY HA2 . 11291 1 822 . 1 1 76 76 GLY HA3 H 1 3.262 0.030 . 2 . . . . 76 GLY HA3 . 11291 1 823 . 1 1 76 76 GLY C C 13 173.204 0.300 . 1 . . . . 76 GLY C . 11291 1 824 . 1 1 76 76 GLY CA C 13 44.739 0.300 . 1 . . . . 76 GLY CA . 11291 1 825 . 1 1 76 76 GLY N N 15 116.419 0.300 . 1 . . . . 76 GLY N . 11291 1 826 . 1 1 77 77 ALA H H 1 7.556 0.030 . 1 . . . . 77 ALA H . 11291 1 827 . 1 1 77 77 ALA HA H 1 4.283 0.030 . 1 . . . . 77 ALA HA . 11291 1 828 . 1 1 77 77 ALA HB1 H 1 1.385 0.030 . 1 . . . . 77 ALA HB . 11291 1 829 . 1 1 77 77 ALA HB2 H 1 1.385 0.030 . 1 . . . . 77 ALA HB . 11291 1 830 . 1 1 77 77 ALA HB3 H 1 1.385 0.030 . 1 . . . . 77 ALA HB . 11291 1 831 . 1 1 77 77 ALA C C 13 174.955 0.300 . 1 . . . . 77 ALA C . 11291 1 832 . 1 1 77 77 ALA CA C 13 51.937 0.300 . 1 . . . . 77 ALA CA . 11291 1 833 . 1 1 77 77 ALA CB C 13 20.429 0.300 . 1 . . . . 77 ALA CB . 11291 1 834 . 1 1 77 77 ALA N N 15 122.439 0.300 . 1 . . . . 77 ALA N . 11291 1 835 . 1 1 78 78 ARG H H 1 8.210 0.030 . 1 . . . . 78 ARG H . 11291 1 836 . 1 1 78 78 ARG HA H 1 5.027 0.030 . 1 . . . . 78 ARG HA . 11291 1 837 . 1 1 78 78 ARG HB2 H 1 1.697 0.030 . 2 . . . . 78 ARG HB2 . 11291 1 838 . 1 1 78 78 ARG HB3 H 1 1.317 0.030 . 2 . . . . 78 ARG HB3 . 11291 1 839 . 1 1 78 78 ARG HD2 H 1 3.160 0.030 . 2 . . . . 78 ARG HD2 . 11291 1 840 . 1 1 78 78 ARG HD3 H 1 3.119 0.030 . 2 . . . . 78 ARG HD3 . 11291 1 841 . 1 1 78 78 ARG HG2 H 1 1.580 0.030 . 1 . . . . 78 ARG HG2 . 11291 1 842 . 1 1 78 78 ARG HG3 H 1 1.580 0.030 . 1 . . . . 78 ARG HG3 . 11291 1 843 . 1 1 78 78 ARG C C 13 175.707 0.300 . 1 . . . . 78 ARG C . 11291 1 844 . 1 1 78 78 ARG CA C 13 55.316 0.300 . 1 . . . . 78 ARG CA . 11291 1 845 . 1 1 78 78 ARG CB C 13 31.280 0.300 . 1 . . . . 78 ARG CB . 11291 1 846 . 1 1 78 78 ARG CD C 13 43.434 0.300 . 1 . . . . 78 ARG CD . 11291 1 847 . 1 1 78 78 ARG CG C 13 27.350 0.300 . 1 . . . . 78 ARG CG . 11291 1 848 . 1 1 78 78 ARG N N 15 119.235 0.300 . 1 . . . . 78 ARG N . 11291 1 849 . 1 1 79 79 ILE H H 1 8.918 0.030 . 1 . . . . 79 ILE H . 11291 1 850 . 1 1 79 79 ILE HA H 1 4.471 0.030 . 1 . . . . 79 ILE HA . 11291 1 851 . 1 1 79 79 ILE HB H 1 1.460 0.030 . 1 . . . . 79 ILE HB . 11291 1 852 . 1 1 79 79 ILE HD11 H 1 0.605 0.030 . 1 . . . . 79 ILE HD1 . 11291 1 853 . 1 1 79 79 ILE HD12 H 1 0.605 0.030 . 1 . . . . 79 ILE HD1 . 11291 1 854 . 1 1 79 79 ILE HD13 H 1 0.605 0.030 . 1 . . . . 79 ILE HD1 . 11291 1 855 . 1 1 79 79 ILE HG12 H 1 1.385 0.030 . 2 . . . . 79 ILE HG12 . 11291 1 856 . 1 1 79 79 ILE HG13 H 1 0.915 0.030 . 2 . . . . 79 ILE HG13 . 11291 1 857 . 1 1 79 79 ILE HG21 H 1 0.067 0.030 . 1 . . . . 79 ILE HG2 . 11291 1 858 . 1 1 79 79 ILE HG22 H 1 0.067 0.030 . 1 . . . . 79 ILE HG2 . 11291 1 859 . 1 1 79 79 ILE HG23 H 1 0.067 0.030 . 1 . . . . 79 ILE HG2 . 11291 1 860 . 1 1 79 79 ILE C C 13 174.252 0.300 . 1 . . . . 79 ILE C . 11291 1 861 . 1 1 79 79 ILE CA C 13 60.344 0.300 . 1 . . . . 79 ILE CA . 11291 1 862 . 1 1 79 79 ILE CB C 13 41.380 0.300 . 1 . . . . 79 ILE CB . 11291 1 863 . 1 1 79 79 ILE CD1 C 13 14.200 0.300 . 1 . . . . 79 ILE CD1 . 11291 1 864 . 1 1 79 79 ILE CG1 C 13 27.862 0.300 . 1 . . . . 79 ILE CG1 . 11291 1 865 . 1 1 79 79 ILE CG2 C 13 19.515 0.300 . 1 . . . . 79 ILE CG2 . 11291 1 866 . 1 1 79 79 ILE N N 15 123.711 0.300 . 1 . . . . 79 ILE N . 11291 1 867 . 1 1 80 80 LEU H H 1 8.646 0.030 . 1 . . . . 80 LEU H . 11291 1 868 . 1 1 80 80 LEU HA H 1 4.760 0.030 . 1 . . . . 80 LEU HA . 11291 1 869 . 1 1 80 80 LEU HB2 H 1 1.640 0.030 . 2 . . . . 80 LEU HB2 . 11291 1 870 . 1 1 80 80 LEU HB3 H 1 1.439 0.030 . 2 . . . . 80 LEU HB3 . 11291 1 871 . 1 1 80 80 LEU HD11 H 1 0.844 0.030 . 1 . . . . 80 LEU HD1 . 11291 1 872 . 1 1 80 80 LEU HD12 H 1 0.844 0.030 . 1 . . . . 80 LEU HD1 . 11291 1 873 . 1 1 80 80 LEU HD13 H 1 0.844 0.030 . 1 . . . . 80 LEU HD1 . 11291 1 874 . 1 1 80 80 LEU HD21 H 1 0.852 0.030 . 1 . . . . 80 LEU HD2 . 11291 1 875 . 1 1 80 80 LEU HD22 H 1 0.852 0.030 . 1 . . . . 80 LEU HD2 . 11291 1 876 . 1 1 80 80 LEU HD23 H 1 0.852 0.030 . 1 . . . . 80 LEU HD2 . 11291 1 877 . 1 1 80 80 LEU HG H 1 1.549 0.030 . 1 . . . . 80 LEU HG . 11291 1 878 . 1 1 80 80 LEU C C 13 175.074 0.300 . 1 . . . . 80 LEU C . 11291 1 879 . 1 1 80 80 LEU CA C 13 53.611 0.300 . 1 . . . . 80 LEU CA . 11291 1 880 . 1 1 80 80 LEU CB C 13 45.215 0.300 . 1 . . . . 80 LEU CB . 11291 1 881 . 1 1 80 80 LEU CD1 C 13 24.719 0.300 . 2 . . . . 80 LEU CD1 . 11291 1 882 . 1 1 80 80 LEU CD2 C 13 24.491 0.300 . 2 . . . . 80 LEU CD2 . 11291 1 883 . 1 1 80 80 LEU CG C 13 27.795 0.300 . 1 . . . . 80 LEU CG . 11291 1 884 . 1 1 80 80 LEU N N 15 127.402 0.300 . 1 . . . . 80 LEU N . 11291 1 885 . 1 1 81 81 PHE H H 1 6.587 0.030 . 1 . . . . 81 PHE H . 11291 1 886 . 1 1 81 81 PHE HA H 1 5.813 0.030 . 1 . . . . 81 PHE HA . 11291 1 887 . 1 1 81 81 PHE HB2 H 1 3.069 0.030 . 2 . . . . 81 PHE HB2 . 11291 1 888 . 1 1 81 81 PHE HB3 H 1 2.727 0.030 . 2 . . . . 81 PHE HB3 . 11291 1 889 . 1 1 81 81 PHE HD1 H 1 7.241 0.030 . 1 . . . . 81 PHE HD1 . 11291 1 890 . 1 1 81 81 PHE HD2 H 1 7.241 0.030 . 1 . . . . 81 PHE HD2 . 11291 1 891 . 1 1 81 81 PHE HE1 H 1 7.038 0.030 . 1 . . . . 81 PHE HE1 . 11291 1 892 . 1 1 81 81 PHE HE2 H 1 7.038 0.030 . 1 . . . . 81 PHE HE2 . 11291 1 893 . 1 1 81 81 PHE C C 13 174.009 0.300 . 1 . . . . 81 PHE C . 11291 1 894 . 1 1 81 81 PHE CA C 13 57.200 0.300 . 1 . . . . 81 PHE CA . 11291 1 895 . 1 1 81 81 PHE CB C 13 44.630 0.300 . 1 . . . . 81 PHE CB . 11291 1 896 . 1 1 81 81 PHE CD1 C 13 132.276 0.300 . 1 . . . . 81 PHE CD1 . 11291 1 897 . 1 1 81 81 PHE CD2 C 13 132.276 0.300 . 1 . . . . 81 PHE CD2 . 11291 1 898 . 1 1 81 81 PHE CE1 C 13 130.635 0.300 . 1 . . . . 81 PHE CE1 . 11291 1 899 . 1 1 81 81 PHE CE2 C 13 130.635 0.300 . 1 . . . . 81 PHE CE2 . 11291 1 900 . 1 1 81 81 PHE N N 15 114.830 0.300 . 1 . . . . 81 PHE N . 11291 1 901 . 1 1 82 82 ARG H H 1 9.499 0.030 . 1 . . . . 82 ARG H . 11291 1 902 . 1 1 82 82 ARG HA H 1 5.441 0.030 . 1 . . . . 82 ARG HA . 11291 1 903 . 1 1 82 82 ARG HB2 H 1 1.644 0.030 . 2 . . . . 82 ARG HB2 . 11291 1 904 . 1 1 82 82 ARG HB3 H 1 1.274 0.030 . 2 . . . . 82 ARG HB3 . 11291 1 905 . 1 1 82 82 ARG HD2 H 1 1.675 0.030 . 2 . . . . 82 ARG HD2 . 11291 1 906 . 1 1 82 82 ARG HD3 H 1 0.450 0.030 . 2 . . . . 82 ARG HD3 . 11291 1 907 . 1 1 82 82 ARG HE H 1 5.874 0.030 . 1 . . . . 82 ARG HE . 11291 1 908 . 1 1 82 82 ARG HG2 H 1 1.282 0.030 . 2 . . . . 82 ARG HG2 . 11291 1 909 . 1 1 82 82 ARG HG3 H 1 0.712 0.030 . 2 . . . . 82 ARG HG3 . 11291 1 910 . 1 1 82 82 ARG C C 13 172.302 0.300 . 1 . . . . 82 ARG C . 11291 1 911 . 1 1 82 82 ARG CA C 13 53.908 0.300 . 1 . . . . 82 ARG CA . 11291 1 912 . 1 1 82 82 ARG CB C 13 34.571 0.300 . 1 . . . . 82 ARG CB . 11291 1 913 . 1 1 82 82 ARG CD C 13 42.780 0.300 . 1 . . . . 82 ARG CD . 11291 1 914 . 1 1 82 82 ARG CG C 13 24.676 0.300 . 1 . . . . 82 ARG CG . 11291 1 915 . 1 1 82 82 ARG N N 15 117.959 0.300 . 1 . . . . 82 ARG N . 11291 1 916 . 1 1 82 82 ARG NE N 15 68.635 0.300 . 1 . . . . 82 ARG NE . 11291 1 917 . 1 1 83 83 VAL H H 1 8.589 0.030 . 1 . . . . 83 VAL H . 11291 1 918 . 1 1 83 83 VAL HA H 1 5.058 0.030 . 1 . . . . 83 VAL HA . 11291 1 919 . 1 1 83 83 VAL HB H 1 0.997 0.030 . 1 . . . . 83 VAL HB . 11291 1 920 . 1 1 83 83 VAL HG11 H 1 -0.243 0.030 . 1 . . . . 83 VAL HG1 . 11291 1 921 . 1 1 83 83 VAL HG12 H 1 -0.243 0.030 . 1 . . . . 83 VAL HG1 . 11291 1 922 . 1 1 83 83 VAL HG13 H 1 -0.243 0.030 . 1 . . . . 83 VAL HG1 . 11291 1 923 . 1 1 83 83 VAL HG21 H 1 -0.031 0.030 . 1 . . . . 83 VAL HG2 . 11291 1 924 . 1 1 83 83 VAL HG22 H 1 -0.031 0.030 . 1 . . . . 83 VAL HG2 . 11291 1 925 . 1 1 83 83 VAL HG23 H 1 -0.031 0.030 . 1 . . . . 83 VAL HG2 . 11291 1 926 . 1 1 83 83 VAL C C 13 173.846 0.300 . 1 . . . . 83 VAL C . 11291 1 927 . 1 1 83 83 VAL CA C 13 59.641 0.300 . 1 . . . . 83 VAL CA . 11291 1 928 . 1 1 83 83 VAL CB C 13 35.540 0.300 . 1 . . . . 83 VAL CB . 11291 1 929 . 1 1 83 83 VAL CG1 C 13 20.027 0.300 . 2 . . . . 83 VAL CG1 . 11291 1 930 . 1 1 83 83 VAL CG2 C 13 22.066 0.300 . 2 . . . . 83 VAL CG2 . 11291 1 931 . 1 1 83 83 VAL N N 15 117.900 0.300 . 1 . . . . 83 VAL N . 11291 1 932 . 1 1 84 84 VAL H H 1 8.587 0.030 . 1 . . . . 84 VAL H . 11291 1 933 . 1 1 84 84 VAL HA H 1 4.216 0.030 . 1 . . . . 84 VAL HA . 11291 1 934 . 1 1 84 84 VAL HB H 1 2.012 0.030 . 1 . . . . 84 VAL HB . 11291 1 935 . 1 1 84 84 VAL HG11 H 1 0.585 0.030 . 1 . . . . 84 VAL HG1 . 11291 1 936 . 1 1 84 84 VAL HG12 H 1 0.585 0.030 . 1 . . . . 84 VAL HG1 . 11291 1 937 . 1 1 84 84 VAL HG13 H 1 0.585 0.030 . 1 . . . . 84 VAL HG1 . 11291 1 938 . 1 1 84 84 VAL HG21 H 1 0.597 0.030 . 1 . . . . 84 VAL HG2 . 11291 1 939 . 1 1 84 84 VAL HG22 H 1 0.597 0.030 . 1 . . . . 84 VAL HG2 . 11291 1 940 . 1 1 84 84 VAL HG23 H 1 0.597 0.030 . 1 . . . . 84 VAL HG2 . 11291 1 941 . 1 1 84 84 VAL C C 13 175.971 0.300 . 1 . . . . 84 VAL C . 11291 1 942 . 1 1 84 84 VAL CA C 13 59.310 0.300 . 1 . . . . 84 VAL CA . 11291 1 943 . 1 1 84 84 VAL CB C 13 34.802 0.300 . 1 . . . . 84 VAL CB . 11291 1 944 . 1 1 84 84 VAL CG1 C 13 21.684 0.300 . 2 . . . . 84 VAL CG1 . 11291 1 945 . 1 1 84 84 VAL CG2 C 13 19.917 0.300 . 2 . . . . 84 VAL CG2 . 11291 1 946 . 1 1 84 84 VAL N N 15 119.622 0.300 . 1 . . . . 84 VAL N . 11291 1 947 . 1 1 85 85 GLY H H 1 9.127 0.030 . 1 . . . . 85 GLY H . 11291 1 948 . 1 1 85 85 GLY HA2 H 1 4.603 0.030 . 2 . . . . 85 GLY HA2 . 11291 1 949 . 1 1 85 85 GLY HA3 H 1 3.237 0.030 . 2 . . . . 85 GLY HA3 . 11291 1 950 . 1 1 85 85 GLY C C 13 172.957 0.300 . 1 . . . . 85 GLY C . 11291 1 951 . 1 1 85 85 GLY CA C 13 44.405 0.300 . 1 . . . . 85 GLY CA . 11291 1 952 . 1 1 85 85 GLY N N 15 110.171 0.300 . 1 . . . . 85 GLY N . 11291 1 953 . 1 1 86 86 VAL H H 1 8.584 0.030 . 1 . . . . 86 VAL H . 11291 1 954 . 1 1 86 86 VAL HA H 1 4.948 0.030 . 1 . . . . 86 VAL HA . 11291 1 955 . 1 1 86 86 VAL HB H 1 1.760 0.030 . 1 . . . . 86 VAL HB . 11291 1 956 . 1 1 86 86 VAL HG11 H 1 0.745 0.030 . 1 . . . . 86 VAL HG1 . 11291 1 957 . 1 1 86 86 VAL HG12 H 1 0.745 0.030 . 1 . . . . 86 VAL HG1 . 11291 1 958 . 1 1 86 86 VAL HG13 H 1 0.745 0.030 . 1 . . . . 86 VAL HG1 . 11291 1 959 . 1 1 86 86 VAL HG21 H 1 0.676 0.030 . 1 . . . . 86 VAL HG2 . 11291 1 960 . 1 1 86 86 VAL HG22 H 1 0.676 0.030 . 1 . . . . 86 VAL HG2 . 11291 1 961 . 1 1 86 86 VAL HG23 H 1 0.676 0.030 . 1 . . . . 86 VAL HG2 . 11291 1 962 . 1 1 86 86 VAL C C 13 173.338 0.300 . 1 . . . . 86 VAL C . 11291 1 963 . 1 1 86 86 VAL CA C 13 60.016 0.300 . 1 . . . . 86 VAL CA . 11291 1 964 . 1 1 86 86 VAL CB C 13 35.491 0.300 . 1 . . . . 86 VAL CB . 11291 1 965 . 1 1 86 86 VAL CG1 C 13 21.784 0.300 . 2 . . . . 86 VAL CG1 . 11291 1 966 . 1 1 86 86 VAL CG2 C 13 20.394 0.300 . 2 . . . . 86 VAL CG2 . 11291 1 967 . 1 1 86 86 VAL N N 15 120.878 0.300 . 1 . . . . 86 VAL N . 11291 1 968 . 1 1 87 87 ASN H H 1 8.300 0.030 . 1 . . . . 87 ASN H . 11291 1 969 . 1 1 87 87 ASN HA H 1 4.680 0.030 . 1 . . . . 87 ASN HA . 11291 1 970 . 1 1 87 87 ASN HB2 H 1 3.212 0.030 . 2 . . . . 87 ASN HB2 . 11291 1 971 . 1 1 87 87 ASN HB3 H 1 2.965 0.030 . 2 . . . . 87 ASN HB3 . 11291 1 972 . 1 1 87 87 ASN HD21 H 1 7.705 0.030 . 2 . . . . 87 ASN HD21 . 11291 1 973 . 1 1 87 87 ASN HD22 H 1 6.940 0.030 . 2 . . . . 87 ASN HD22 . 11291 1 974 . 1 1 87 87 ASN C C 13 177.090 0.300 . 1 . . . . 87 ASN C . 11291 1 975 . 1 1 87 87 ASN CA C 13 51.525 0.300 . 1 . . . . 87 ASN CA . 11291 1 976 . 1 1 87 87 ASN CB C 13 40.011 0.300 . 1 . . . . 87 ASN CB . 11291 1 977 . 1 1 87 87 ASN N N 15 123.613 0.300 . 1 . . . . 87 ASN N . 11291 1 978 . 1 1 87 87 ASN ND2 N 15 107.799 0.300 . 1 . . . . 87 ASN ND2 . 11291 1 979 . 1 1 88 88 ILE H H 1 8.315 0.030 . 1 . . . . 88 ILE H . 11291 1 980 . 1 1 88 88 ILE HA H 1 4.032 0.030 . 1 . . . . 88 ILE HA . 11291 1 981 . 1 1 88 88 ILE HB H 1 2.007 0.030 . 1 . . . . 88 ILE HB . 11291 1 982 . 1 1 88 88 ILE HD11 H 1 0.903 0.030 . 1 . . . . 88 ILE HD1 . 11291 1 983 . 1 1 88 88 ILE HD12 H 1 0.903 0.030 . 1 . . . . 88 ILE HD1 . 11291 1 984 . 1 1 88 88 ILE HD13 H 1 0.903 0.030 . 1 . . . . 88 ILE HD1 . 11291 1 985 . 1 1 88 88 ILE HG12 H 1 1.435 0.030 . 2 . . . . 88 ILE HG12 . 11291 1 986 . 1 1 88 88 ILE HG13 H 1 1.247 0.030 . 2 . . . . 88 ILE HG13 . 11291 1 987 . 1 1 88 88 ILE HG21 H 1 0.893 0.030 . 1 . . . . 88 ILE HG2 . 11291 1 988 . 1 1 88 88 ILE HG22 H 1 0.893 0.030 . 1 . . . . 88 ILE HG2 . 11291 1 989 . 1 1 88 88 ILE HG23 H 1 0.893 0.030 . 1 . . . . 88 ILE HG2 . 11291 1 990 . 1 1 88 88 ILE C C 13 175.345 0.300 . 1 . . . . 88 ILE C . 11291 1 991 . 1 1 88 88 ILE CA C 13 62.937 0.300 . 1 . . . . 88 ILE CA . 11291 1 992 . 1 1 88 88 ILE CB C 13 38.341 0.300 . 1 . . . . 88 ILE CB . 11291 1 993 . 1 1 88 88 ILE CD1 C 13 14.154 0.300 . 1 . . . . 88 ILE CD1 . 11291 1 994 . 1 1 88 88 ILE CG1 C 13 28.183 0.300 . 1 . . . . 88 ILE CG1 . 11291 1 995 . 1 1 88 88 ILE CG2 C 13 17.001 0.300 . 1 . . . . 88 ILE CG2 . 11291 1 996 . 1 1 88 88 ILE N N 15 117.483 0.300 . 1 . . . . 88 ILE N . 11291 1 997 . 1 1 89 89 ALA H H 1 7.678 0.030 . 1 . . . . 89 ALA H . 11291 1 998 . 1 1 89 89 ALA HA H 1 4.344 0.030 . 1 . . . . 89 ALA HA . 11291 1 999 . 1 1 89 89 ALA HB1 H 1 1.247 0.030 . 1 . . . . 89 ALA HB . 11291 1 1000 . 1 1 89 89 ALA HB2 H 1 1.247 0.030 . 1 . . . . 89 ALA HB . 11291 1 1001 . 1 1 89 89 ALA HB3 H 1 1.247 0.030 . 1 . . . . 89 ALA HB . 11291 1 1002 . 1 1 89 89 ALA C C 13 177.254 0.300 . 1 . . . . 89 ALA C . 11291 1 1003 . 1 1 89 89 ALA CA C 13 52.061 0.300 . 1 . . . . 89 ALA CA . 11291 1 1004 . 1 1 89 89 ALA CB C 13 18.970 0.300 . 1 . . . . 89 ALA CB . 11291 1 1005 . 1 1 89 89 ALA N N 15 123.161 0.300 . 1 . . . . 89 ALA N . 11291 1 1006 . 1 1 90 90 GLY H H 1 8.006 0.030 . 1 . . . . 90 GLY H . 11291 1 1007 . 1 1 90 90 GLY HA2 H 1 4.522 0.030 . 2 . . . . 90 GLY HA2 . 11291 1 1008 . 1 1 90 90 GLY HA3 H 1 3.760 0.030 . 2 . . . . 90 GLY HA3 . 11291 1 1009 . 1 1 90 90 GLY C C 13 172.809 0.300 . 1 . . . . 90 GLY C . 11291 1 1010 . 1 1 90 90 GLY CA C 13 44.401 0.300 . 1 . . . . 90 GLY CA . 11291 1 1011 . 1 1 90 90 GLY N N 15 107.242 0.300 . 1 . . . . 90 GLY N . 11291 1 1012 . 1 1 91 91 ARG H H 1 8.384 0.030 . 1 . . . . 91 ARG H . 11291 1 1013 . 1 1 91 91 ARG HA H 1 4.632 0.030 . 1 . . . . 91 ARG HA . 11291 1 1014 . 1 1 91 91 ARG HB2 H 1 1.933 0.030 . 2 . . . . 91 ARG HB2 . 11291 1 1015 . 1 1 91 91 ARG HB3 H 1 1.556 0.030 . 2 . . . . 91 ARG HB3 . 11291 1 1016 . 1 1 91 91 ARG HD2 H 1 3.359 0.030 . 2 . . . . 91 ARG HD2 . 11291 1 1017 . 1 1 91 91 ARG HD3 H 1 2.991 0.030 . 2 . . . . 91 ARG HD3 . 11291 1 1018 . 1 1 91 91 ARG HE H 1 7.021 0.030 . 1 . . . . 91 ARG HE . 11291 1 1019 . 1 1 91 91 ARG HG2 H 1 1.615 0.030 . 2 . . . . 91 ARG HG2 . 11291 1 1020 . 1 1 91 91 ARG HG3 H 1 1.380 0.030 . 2 . . . . 91 ARG HG3 . 11291 1 1021 . 1 1 91 91 ARG C C 13 176.773 0.300 . 1 . . . . 91 ARG C . 11291 1 1022 . 1 1 91 91 ARG CA C 13 55.424 0.300 . 1 . . . . 91 ARG CA . 11291 1 1023 . 1 1 91 91 ARG CB C 13 33.600 0.300 . 1 . . . . 91 ARG CB . 11291 1 1024 . 1 1 91 91 ARG CD C 13 44.268 0.300 . 1 . . . . 91 ARG CD . 11291 1 1025 . 1 1 91 91 ARG CG C 13 27.170 0.300 . 1 . . . . 91 ARG CG . 11291 1 1026 . 1 1 91 91 ARG N N 15 120.636 0.300 . 1 . . . . 91 ARG N . 11291 1 1027 . 1 1 91 91 ARG NE N 15 82.016 0.300 . 1 . . . . 91 ARG NE . 11291 1 1028 . 1 1 92 92 SER H H 1 8.792 0.030 . 1 . . . . 92 SER H . 11291 1 1029 . 1 1 92 92 SER HA H 1 4.299 0.030 . 1 . . . . 92 SER HA . 11291 1 1030 . 1 1 92 92 SER HB2 H 1 3.938 0.030 . 2 . . . . 92 SER HB2 . 11291 1 1031 . 1 1 92 92 SER HB3 H 1 3.757 0.030 . 2 . . . . 92 SER HB3 . 11291 1 1032 . 1 1 92 92 SER C C 13 174.314 0.300 . 1 . . . . 92 SER C . 11291 1 1033 . 1 1 92 92 SER CA C 13 57.922 0.300 . 1 . . . . 92 SER CA . 11291 1 1034 . 1 1 92 92 SER CB C 13 68.671 0.300 . 1 . . . . 92 SER CB . 11291 1 1035 . 1 1 92 92 SER N N 15 117.807 0.300 . 1 . . . . 92 SER N . 11291 1 1036 . 1 1 93 93 GLU H H 1 8.610 0.030 . 1 . . . . 93 GLU H . 11291 1 1037 . 1 1 93 93 GLU HA H 1 4.440 0.030 . 1 . . . . 93 GLU HA . 11291 1 1038 . 1 1 93 93 GLU HB2 H 1 2.045 0.030 . 2 . . . . 93 GLU HB2 . 11291 1 1039 . 1 1 93 93 GLU HB3 H 1 1.866 0.030 . 2 . . . . 93 GLU HB3 . 11291 1 1040 . 1 1 93 93 GLU HG2 H 1 2.390 0.030 . 1 . . . . 93 GLU HG2 . 11291 1 1041 . 1 1 93 93 GLU HG3 H 1 2.390 0.030 . 1 . . . . 93 GLU HG3 . 11291 1 1042 . 1 1 93 93 GLU C C 13 176.084 0.300 . 1 . . . . 93 GLU C . 11291 1 1043 . 1 1 93 93 GLU CA C 13 55.193 0.300 . 1 . . . . 93 GLU CA . 11291 1 1044 . 1 1 93 93 GLU CB C 13 29.646 0.300 . 1 . . . . 93 GLU CB . 11291 1 1045 . 1 1 93 93 GLU CG C 13 36.130 0.300 . 1 . . . . 93 GLU CG . 11291 1 1046 . 1 1 93 93 GLU N N 15 119.571 0.300 . 1 . . . . 93 GLU N . 11291 1 1047 . 1 1 94 94 PRO HA H 1 4.694 0.030 . 1 . . . . 94 PRO HA . 11291 1 1048 . 1 1 94 94 PRO HB2 H 1 1.374 0.030 . 1 . . . . 94 PRO HB2 . 11291 1 1049 . 1 1 94 94 PRO HB3 H 1 1.374 0.030 . 1 . . . . 94 PRO HB3 . 11291 1 1050 . 1 1 94 94 PRO HD2 H 1 3.681 0.030 . 2 . . . . 94 PRO HD2 . 11291 1 1051 . 1 1 94 94 PRO HD3 H 1 3.571 0.030 . 2 . . . . 94 PRO HD3 . 11291 1 1052 . 1 1 94 94 PRO HG2 H 1 1.757 0.030 . 2 . . . . 94 PRO HG2 . 11291 1 1053 . 1 1 94 94 PRO HG3 H 1 1.543 0.030 . 2 . . . . 94 PRO HG3 . 11291 1 1054 . 1 1 94 94 PRO CA C 13 62.233 0.300 . 1 . . . . 94 PRO CA . 11291 1 1055 . 1 1 94 94 PRO CB C 13 31.582 0.300 . 1 . . . . 94 PRO CB . 11291 1 1056 . 1 1 94 94 PRO CD C 13 50.137 0.300 . 1 . . . . 94 PRO CD . 11291 1 1057 . 1 1 94 94 PRO CG C 13 26.450 0.300 . 1 . . . . 94 PRO CG . 11291 1 1058 . 1 1 95 95 ALA H H 1 8.605 0.030 . 1 . . . . 95 ALA H . 11291 1 1059 . 1 1 95 95 ALA HA H 1 4.630 0.030 . 1 . . . . 95 ALA HA . 11291 1 1060 . 1 1 95 95 ALA HB1 H 1 1.249 0.030 . 1 . . . . 95 ALA HB . 11291 1 1061 . 1 1 95 95 ALA HB2 H 1 1.249 0.030 . 1 . . . . 95 ALA HB . 11291 1 1062 . 1 1 95 95 ALA HB3 H 1 1.249 0.030 . 1 . . . . 95 ALA HB . 11291 1 1063 . 1 1 95 95 ALA CA C 13 51.435 0.300 . 1 . . . . 95 ALA CA . 11291 1 1064 . 1 1 95 95 ALA CB C 13 19.463 0.300 . 1 . . . . 95 ALA CB . 11291 1 1065 . 1 1 95 95 ALA N N 15 124.514 0.300 . 1 . . . . 95 ALA N . 11291 1 1066 . 1 1 96 96 THR H H 1 8.322 0.030 . 1 . . . . 96 THR H . 11291 1 1067 . 1 1 96 96 THR HA H 1 4.714 0.030 . 1 . . . . 96 THR HA . 11291 1 1068 . 1 1 96 96 THR HB H 1 3.860 0.030 . 1 . . . . 96 THR HB . 11291 1 1069 . 1 1 96 96 THR HG21 H 1 1.385 0.030 . 1 . . . . 96 THR HG2 . 11291 1 1070 . 1 1 96 96 THR HG22 H 1 1.385 0.030 . 1 . . . . 96 THR HG2 . 11291 1 1071 . 1 1 96 96 THR HG23 H 1 1.385 0.030 . 1 . . . . 96 THR HG2 . 11291 1 1072 . 1 1 96 96 THR CA C 13 61.177 0.300 . 1 . . . . 96 THR CA . 11291 1 1073 . 1 1 96 96 THR CB C 13 70.326 0.300 . 1 . . . . 96 THR CB . 11291 1 1074 . 1 1 96 96 THR CG2 C 13 21.561 0.300 . 1 . . . . 96 THR CG2 . 11291 1 1075 . 1 1 96 96 THR N N 15 117.234 0.300 . 1 . . . . 96 THR N . 11291 1 1076 . 1 1 97 97 LEU H H 1 8.202 0.030 . 1 . . . . 97 LEU H . 11291 1 1077 . 1 1 97 97 LEU HA H 1 4.479 0.030 . 1 . . . . 97 LEU HA . 11291 1 1078 . 1 1 97 97 LEU HB2 H 1 1.970 0.030 . 2 . . . . 97 LEU HB2 . 11291 1 1079 . 1 1 97 97 LEU HB3 H 1 1.889 0.030 . 2 . . . . 97 LEU HB3 . 11291 1 1080 . 1 1 97 97 LEU HD11 H 1 1.235 0.030 . 1 . . . . 97 LEU HD1 . 11291 1 1081 . 1 1 97 97 LEU HD12 H 1 1.235 0.030 . 1 . . . . 97 LEU HD1 . 11291 1 1082 . 1 1 97 97 LEU HD13 H 1 1.235 0.030 . 1 . . . . 97 LEU HD1 . 11291 1 1083 . 1 1 97 97 LEU HD21 H 1 0.997 0.030 . 1 . . . . 97 LEU HD2 . 11291 1 1084 . 1 1 97 97 LEU HD22 H 1 0.997 0.030 . 1 . . . . 97 LEU HD2 . 11291 1 1085 . 1 1 97 97 LEU HD23 H 1 0.997 0.030 . 1 . . . . 97 LEU HD2 . 11291 1 1086 . 1 1 97 97 LEU HG H 1 1.973 0.030 . 1 . . . . 97 LEU HG . 11291 1 1087 . 1 1 97 97 LEU CA C 13 55.193 0.300 . 1 . . . . 97 LEU CA . 11291 1 1088 . 1 1 97 97 LEU CB C 13 43.672 0.300 . 1 . . . . 97 LEU CB . 11291 1 1089 . 1 1 97 97 LEU CD1 C 13 28.048 0.300 . 2 . . . . 97 LEU CD1 . 11291 1 1090 . 1 1 97 97 LEU CD2 C 13 23.660 0.300 . 2 . . . . 97 LEU CD2 . 11291 1 1091 . 1 1 97 97 LEU CG C 13 27.073 0.300 . 1 . . . . 97 LEU CG . 11291 1 1092 . 1 1 97 97 LEU N N 15 125.496 0.300 . 1 . . . . 97 LEU N . 11291 1 1093 . 1 1 98 98 LEU H H 1 8.482 0.030 . 1 . . . . 98 LEU H . 11291 1 1094 . 1 1 98 98 LEU HA H 1 4.251 0.030 . 1 . . . . 98 LEU HA . 11291 1 1095 . 1 1 98 98 LEU HB2 H 1 1.800 0.030 . 2 . . . . 98 LEU HB2 . 11291 1 1096 . 1 1 98 98 LEU HB3 H 1 1.684 0.030 . 2 . . . . 98 LEU HB3 . 11291 1 1097 . 1 1 98 98 LEU HD11 H 1 1.025 0.030 . 1 . . . . 98 LEU HD1 . 11291 1 1098 . 1 1 98 98 LEU HD12 H 1 1.025 0.030 . 1 . . . . 98 LEU HD1 . 11291 1 1099 . 1 1 98 98 LEU HD13 H 1 1.025 0.030 . 1 . . . . 98 LEU HD1 . 11291 1 1100 . 1 1 98 98 LEU HD21 H 1 0.956 0.030 . 1 . . . . 98 LEU HD2 . 11291 1 1101 . 1 1 98 98 LEU HD22 H 1 0.956 0.030 . 1 . . . . 98 LEU HD2 . 11291 1 1102 . 1 1 98 98 LEU HD23 H 1 0.956 0.030 . 1 . . . . 98 LEU HD2 . 11291 1 1103 . 1 1 98 98 LEU HG H 1 1.797 0.030 . 1 . . . . 98 LEU HG . 11291 1 1104 . 1 1 98 98 LEU CA C 13 56.496 0.300 . 1 . . . . 98 LEU CA . 11291 1 1105 . 1 1 98 98 LEU CB C 13 42.687 0.300 . 1 . . . . 98 LEU CB . 11291 1 1106 . 1 1 98 98 LEU CD1 C 13 24.992 0.300 . 2 . . . . 98 LEU CD1 . 11291 1 1107 . 1 1 98 98 LEU CD2 C 13 23.297 0.300 . 2 . . . . 98 LEU CD2 . 11291 1 1108 . 1 1 98 98 LEU CG C 13 27.394 0.300 . 1 . . . . 98 LEU CG . 11291 1 1109 . 1 1 98 98 LEU N N 15 119.902 0.300 . 1 . . . . 98 LEU N . 11291 1 1110 . 1 1 99 99 GLN H H 1 7.438 0.030 . 1 . . . . 99 GLN H . 11291 1 1111 . 1 1 99 99 GLN HA H 1 4.897 0.030 . 1 . . . . 99 GLN HA . 11291 1 1112 . 1 1 99 99 GLN HB2 H 1 2.176 0.030 . 2 . . . . 99 GLN HB2 . 11291 1 1113 . 1 1 99 99 GLN HB3 H 1 1.942 0.030 . 2 . . . . 99 GLN HB3 . 11291 1 1114 . 1 1 99 99 GLN HG2 H 1 2.387 0.030 . 1 . . . . 99 GLN HG2 . 11291 1 1115 . 1 1 99 99 GLN HG3 H 1 2.387 0.030 . 1 . . . . 99 GLN HG3 . 11291 1 1116 . 1 1 99 99 GLN CA C 13 52.374 0.300 . 1 . . . . 99 GLN CA . 11291 1 1117 . 1 1 99 99 GLN CB C 13 30.506 0.300 . 1 . . . . 99 GLN CB . 11291 1 1118 . 1 1 99 99 GLN CG C 13 33.202 0.300 . 1 . . . . 99 GLN CG . 11291 1 1119 . 1 1 99 99 GLN N N 15 114.961 0.300 . 1 . . . . 99 GLN N . 11291 1 1120 . 1 1 100 100 PRO HA H 1 4.435 0.030 . 1 . . . . 100 PRO HA . 11291 1 1121 . 1 1 100 100 PRO HB2 H 1 1.875 0.030 . 2 . . . . 100 PRO HB2 . 11291 1 1122 . 1 1 100 100 PRO HB3 H 1 1.516 0.030 . 2 . . . . 100 PRO HB3 . 11291 1 1123 . 1 1 100 100 PRO HD2 H 1 3.837 0.030 . 2 . . . . 100 PRO HD2 . 11291 1 1124 . 1 1 100 100 PRO HD3 H 1 3.671 0.030 . 2 . . . . 100 PRO HD3 . 11291 1 1125 . 1 1 100 100 PRO HG2 H 1 1.967 0.030 . 2 . . . . 100 PRO HG2 . 11291 1 1126 . 1 1 100 100 PRO HG3 H 1 1.882 0.030 . 2 . . . . 100 PRO HG3 . 11291 1 1127 . 1 1 100 100 PRO C C 13 175.429 0.300 . 1 . . . . 100 PRO C . 11291 1 1128 . 1 1 100 100 PRO CA C 13 62.444 0.300 . 1 . . . . 100 PRO CA . 11291 1 1129 . 1 1 100 100 PRO CB C 13 32.818 0.300 . 1 . . . . 100 PRO CB . 11291 1 1130 . 1 1 100 100 PRO CD C 13 50.694 0.300 . 1 . . . . 100 PRO CD . 11291 1 1131 . 1 1 100 100 PRO CG C 13 26.969 0.300 . 1 . . . . 100 PRO CG . 11291 1 1132 . 1 1 101 101 VAL H H 1 9.097 0.030 . 1 . . . . 101 VAL H . 11291 1 1133 . 1 1 101 101 VAL HA H 1 4.278 0.030 . 1 . . . . 101 VAL HA . 11291 1 1134 . 1 1 101 101 VAL HB H 1 2.257 0.030 . 1 . . . . 101 VAL HB . 11291 1 1135 . 1 1 101 101 VAL HG11 H 1 1.084 0.030 . 1 . . . . 101 VAL HG1 . 11291 1 1136 . 1 1 101 101 VAL HG12 H 1 1.084 0.030 . 1 . . . . 101 VAL HG1 . 11291 1 1137 . 1 1 101 101 VAL HG13 H 1 1.084 0.030 . 1 . . . . 101 VAL HG1 . 11291 1 1138 . 1 1 101 101 VAL HG21 H 1 1.230 0.030 . 1 . . . . 101 VAL HG2 . 11291 1 1139 . 1 1 101 101 VAL HG22 H 1 1.230 0.030 . 1 . . . . 101 VAL HG2 . 11291 1 1140 . 1 1 101 101 VAL HG23 H 1 1.230 0.030 . 1 . . . . 101 VAL HG2 . 11291 1 1141 . 1 1 101 101 VAL C C 13 176.074 0.300 . 1 . . . . 101 VAL C . 11291 1 1142 . 1 1 101 101 VAL CA C 13 60.896 0.300 . 1 . . . . 101 VAL CA . 11291 1 1143 . 1 1 101 101 VAL CB C 13 35.021 0.300 . 1 . . . . 101 VAL CB . 11291 1 1144 . 1 1 101 101 VAL CG1 C 13 22.157 0.300 . 2 . . . . 101 VAL CG1 . 11291 1 1145 . 1 1 101 101 VAL CG2 C 13 22.630 0.300 . 2 . . . . 101 VAL CG2 . 11291 1 1146 . 1 1 101 101 VAL N N 15 122.602 0.300 . 1 . . . . 101 VAL N . 11291 1 1147 . 1 1 102 102 THR H H 1 8.597 0.030 . 1 . . . . 102 THR H . 11291 1 1148 . 1 1 102 102 THR HA H 1 4.874 0.030 . 1 . . . . 102 THR HA . 11291 1 1149 . 1 1 102 102 THR HB H 1 3.978 0.030 . 1 . . . . 102 THR HB . 11291 1 1150 . 1 1 102 102 THR HG21 H 1 0.975 0.030 . 1 . . . . 102 THR HG2 . 11291 1 1151 . 1 1 102 102 THR HG22 H 1 0.975 0.030 . 1 . . . . 102 THR HG2 . 11291 1 1152 . 1 1 102 102 THR HG23 H 1 0.975 0.030 . 1 . . . . 102 THR HG2 . 11291 1 1153 . 1 1 102 102 THR C C 13 174.885 0.300 . 1 . . . . 102 THR C . 11291 1 1154 . 1 1 102 102 THR CA C 13 62.462 0.300 . 1 . . . . 102 THR CA . 11291 1 1155 . 1 1 102 102 THR CB C 13 68.550 0.300 . 1 . . . . 102 THR CB . 11291 1 1156 . 1 1 102 102 THR CG2 C 13 21.285 0.300 . 1 . . . . 102 THR CG2 . 11291 1 1157 . 1 1 102 102 THR N N 15 123.348 0.300 . 1 . . . . 102 THR N . 11291 1 1158 . 1 1 103 103 ILE H H 1 8.896 0.030 . 1 . . . . 103 ILE H . 11291 1 1159 . 1 1 103 103 ILE HA H 1 3.864 0.030 . 1 . . . . 103 ILE HA . 11291 1 1160 . 1 1 103 103 ILE HB H 1 2.432 0.030 . 1 . . . . 103 ILE HB . 11291 1 1161 . 1 1 103 103 ILE HD11 H 1 0.582 0.030 . 1 . . . . 103 ILE HD1 . 11291 1 1162 . 1 1 103 103 ILE HD12 H 1 0.582 0.030 . 1 . . . . 103 ILE HD1 . 11291 1 1163 . 1 1 103 103 ILE HD13 H 1 0.582 0.030 . 1 . . . . 103 ILE HD1 . 11291 1 1164 . 1 1 103 103 ILE HG12 H 1 1.780 0.030 . 2 . . . . 103 ILE HG12 . 11291 1 1165 . 1 1 103 103 ILE HG13 H 1 1.011 0.030 . 2 . . . . 103 ILE HG13 . 11291 1 1166 . 1 1 103 103 ILE HG21 H 1 0.619 0.030 . 1 . . . . 103 ILE HG2 . 11291 1 1167 . 1 1 103 103 ILE HG22 H 1 0.619 0.030 . 1 . . . . 103 ILE HG2 . 11291 1 1168 . 1 1 103 103 ILE HG23 H 1 0.619 0.030 . 1 . . . . 103 ILE HG2 . 11291 1 1169 . 1 1 103 103 ILE C C 13 173.940 0.300 . 1 . . . . 103 ILE C . 11291 1 1170 . 1 1 103 103 ILE CA C 13 58.507 0.300 . 1 . . . . 103 ILE CA . 11291 1 1171 . 1 1 103 103 ILE CB C 13 32.702 0.300 . 1 . . . . 103 ILE CB . 11291 1 1172 . 1 1 103 103 ILE CD1 C 13 9.122 0.300 . 1 . . . . 103 ILE CD1 . 11291 1 1173 . 1 1 103 103 ILE CG1 C 13 25.801 0.300 . 1 . . . . 103 ILE CG1 . 11291 1 1174 . 1 1 103 103 ILE CG2 C 13 17.697 0.300 . 1 . . . . 103 ILE CG2 . 11291 1 1175 . 1 1 103 103 ILE N N 15 128.653 0.300 . 1 . . . . 103 ILE N . 11291 1 1176 . 1 1 104 104 ARG H H 1 7.402 0.030 . 1 . . . . 104 ARG H . 11291 1 1177 . 1 1 104 104 ARG HA H 1 4.667 0.030 . 1 . . . . 104 ARG HA . 11291 1 1178 . 1 1 104 104 ARG HB2 H 1 1.685 0.030 . 2 . . . . 104 ARG HB2 . 11291 1 1179 . 1 1 104 104 ARG HB3 H 1 1.601 0.030 . 2 . . . . 104 ARG HB3 . 11291 1 1180 . 1 1 104 104 ARG HD2 H 1 3.155 0.030 . 1 . . . . 104 ARG HD2 . 11291 1 1181 . 1 1 104 104 ARG HD3 H 1 3.155 0.030 . 1 . . . . 104 ARG HD3 . 11291 1 1182 . 1 1 104 104 ARG HG2 H 1 1.571 0.030 . 2 . . . . 104 ARG HG2 . 11291 1 1183 . 1 1 104 104 ARG HG3 H 1 1.504 0.030 . 2 . . . . 104 ARG HG3 . 11291 1 1184 . 1 1 104 104 ARG C C 13 174.732 0.300 . 1 . . . . 104 ARG C . 11291 1 1185 . 1 1 104 104 ARG CA C 13 55.413 0.300 . 1 . . . . 104 ARG CA . 11291 1 1186 . 1 1 104 104 ARG CB C 13 33.559 0.300 . 1 . . . . 104 ARG CB . 11291 1 1187 . 1 1 104 104 ARG CD C 13 43.308 0.300 . 1 . . . . 104 ARG CD . 11291 1 1188 . 1 1 104 104 ARG CG C 13 27.463 0.300 . 1 . . . . 104 ARG CG . 11291 1 1189 . 1 1 104 104 ARG N N 15 126.792 0.300 . 1 . . . . 104 ARG N . 11291 1 1190 . 1 1 105 105 GLU H H 1 8.686 0.030 . 1 . . . . 105 GLU H . 11291 1 1191 . 1 1 105 105 GLU HA H 1 4.151 0.030 . 1 . . . . 105 GLU HA . 11291 1 1192 . 1 1 105 105 GLU HB2 H 1 2.005 0.030 . 1 . . . . 105 GLU HB2 . 11291 1 1193 . 1 1 105 105 GLU HB3 H 1 2.005 0.030 . 1 . . . . 105 GLU HB3 . 11291 1 1194 . 1 1 105 105 GLU HG2 H 1 2.339 0.030 . 2 . . . . 105 GLU HG2 . 11291 1 1195 . 1 1 105 105 GLU HG3 H 1 2.310 0.030 . 2 . . . . 105 GLU HG3 . 11291 1 1196 . 1 1 105 105 GLU C C 13 176.528 0.300 . 1 . . . . 105 GLU C . 11291 1 1197 . 1 1 105 105 GLU CA C 13 57.007 0.300 . 1 . . . . 105 GLU CA . 11291 1 1198 . 1 1 105 105 GLU CB C 13 30.141 0.300 . 1 . . . . 105 GLU CB . 11291 1 1199 . 1 1 105 105 GLU CG C 13 35.948 0.300 . 1 . . . . 105 GLU CG . 11291 1 1200 . 1 1 105 105 GLU N N 15 123.493 0.300 . 1 . . . . 105 GLU N . 11291 1 1201 . 1 1 106 106 SER H H 1 8.629 0.030 . 1 . . . . 106 SER H . 11291 1 1202 . 1 1 106 106 SER HA H 1 4.470 0.030 . 1 . . . . 106 SER HA . 11291 1 1203 . 1 1 106 106 SER HB2 H 1 3.900 0.030 . 1 . . . . 106 SER HB2 . 11291 1 1204 . 1 1 106 106 SER HB3 H 1 3.900 0.030 . 1 . . . . 106 SER HB3 . 11291 1 1205 . 1 1 106 106 SER C C 13 174.628 0.300 . 1 . . . . 106 SER C . 11291 1 1206 . 1 1 106 106 SER CA C 13 58.572 0.300 . 1 . . . . 106 SER CA . 11291 1 1207 . 1 1 106 106 SER CB C 13 64.039 0.300 . 1 . . . . 106 SER CB . 11291 1 1208 . 1 1 106 106 SER N N 15 119.534 0.300 . 1 . . . . 106 SER N . 11291 1 1209 . 1 1 107 107 GLY H H 1 8.327 0.030 . 1 . . . . 107 GLY H . 11291 1 1210 . 1 1 107 107 GLY HA2 H 1 4.223 0.030 . 2 . . . . 107 GLY HA2 . 11291 1 1211 . 1 1 107 107 GLY HA3 H 1 4.086 0.030 . 2 . . . . 107 GLY HA3 . 11291 1 1212 . 1 1 107 107 GLY CA C 13 44.726 0.300 . 1 . . . . 107 GLY CA . 11291 1 1213 . 1 1 107 107 GLY N N 15 110.976 0.300 . 1 . . . . 107 GLY N . 11291 1 stop_ save_