data_10332 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10332 _Entry.Title ; Solution structure of the 23th Filamin domain from human Filamin C ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-04-14 _Entry.Accession_date 2009-04-14 _Entry.Last_release_date 2010-04-14 _Entry.Original_release_date 2010-04-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 T. Tomizawa . . . 10332 2 T. Kigawa . . . 10332 3 S. Koshiba . . . 10332 4 M. Inoue . . . 10332 5 S. Yokoyama . . . 10332 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10332 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10332 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 425 10332 '15N chemical shifts' 95 10332 '1H chemical shifts' 657 10332 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 . . 2010-04-14 2009-04-14 original author . 10332 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2D7Q 'BMRB Entry Tracking System' 10332 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10332 _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 23th Filamin domain from human Filamin C' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 T. Tomizawa . . . 10332 1 2 T. Kigawa . . . 10332 1 3 S. Koshiba . . . 10332 1 4 M. Inoue . . . 10332 1 5 S. Yokoyama . . . 10332 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10332 _Assembly.ID 1 _Assembly.Name Filamin-C _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 'Filamin domain' 1 $entity_1 . . yes native no no . . . 10332 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2D7Q . . . . . . 10332 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10332 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Filamin domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGAGDPGLVSAYGPG LEGGTTGVSSEFIVNTLNAG SGALSVTIDGPSKVQLDCRE CPEGHVVTYTPMAPGNYLIA IKYGGPQHIVGSPFKAKVTG PRLSGSGPSSG ; _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 2015-11-26 loop_ _Entity_db_link.Ordinal _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 1 no PDB 2D7Q . "Solution Structure Of The 23th Filamin Domain From Human Filamin C" . . . . . 100.00 111 100.00 100.00 9.97e-70 . . . . 10332 1 2 no PDB 2NQC . "Crystal Structure Of Ig-Like Domain 23 From Human Filamin C" . . . . . 90.09 138 98.00 98.00 1.74e-62 . . . . 10332 1 3 no EMBL CDL67988 . "putative filamin like protein, partial [Olea europaea]" . . . . . 70.27 269 97.44 97.44 2.76e-43 . . . . 10332 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Filamin domain' . 10332 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 . 10332 1 2 . SER . 10332 1 3 . SER . 10332 1 4 . GLY . 10332 1 5 . SER . 10332 1 6 . SER . 10332 1 7 . GLY . 10332 1 8 . ALA . 10332 1 9 . GLY . 10332 1 10 . ASP . 10332 1 11 . PRO . 10332 1 12 . GLY . 10332 1 13 . LEU . 10332 1 14 . VAL . 10332 1 15 . SER . 10332 1 16 . ALA . 10332 1 17 . TYR . 10332 1 18 . GLY . 10332 1 19 . PRO . 10332 1 20 . GLY . 10332 1 21 . LEU . 10332 1 22 . GLU . 10332 1 23 . GLY . 10332 1 24 . GLY . 10332 1 25 . THR . 10332 1 26 . THR . 10332 1 27 . GLY . 10332 1 28 . VAL . 10332 1 29 . SER . 10332 1 30 . SER . 10332 1 31 . GLU . 10332 1 32 . PHE . 10332 1 33 . ILE . 10332 1 34 . VAL . 10332 1 35 . ASN . 10332 1 36 . THR . 10332 1 37 . LEU . 10332 1 38 . ASN . 10332 1 39 . ALA . 10332 1 40 . GLY . 10332 1 41 . SER . 10332 1 42 . GLY . 10332 1 43 . ALA . 10332 1 44 . LEU . 10332 1 45 . SER . 10332 1 46 . VAL . 10332 1 47 . THR . 10332 1 48 . ILE . 10332 1 49 . ASP . 10332 1 50 . GLY . 10332 1 51 . PRO . 10332 1 52 . SER . 10332 1 53 . LYS . 10332 1 54 . VAL . 10332 1 55 . GLN . 10332 1 56 . LEU . 10332 1 57 . ASP . 10332 1 58 . CYS . 10332 1 59 . ARG . 10332 1 60 . GLU . 10332 1 61 . CYS . 10332 1 62 . PRO . 10332 1 63 . GLU . 10332 1 64 . GLY . 10332 1 65 . HIS . 10332 1 66 . VAL . 10332 1 67 . VAL . 10332 1 68 . THR . 10332 1 69 . TYR . 10332 1 70 . THR . 10332 1 71 . PRO . 10332 1 72 . MET . 10332 1 73 . ALA . 10332 1 74 . PRO . 10332 1 75 . GLY . 10332 1 76 . ASN . 10332 1 77 . TYR . 10332 1 78 . LEU . 10332 1 79 . ILE . 10332 1 80 . ALA . 10332 1 81 . ILE . 10332 1 82 . LYS . 10332 1 83 . TYR . 10332 1 84 . GLY . 10332 1 85 . GLY . 10332 1 86 . PRO . 10332 1 87 . GLN . 10332 1 88 . HIS . 10332 1 89 . ILE . 10332 1 90 . VAL . 10332 1 91 . GLY . 10332 1 92 . SER . 10332 1 93 . PRO . 10332 1 94 . PHE . 10332 1 95 . LYS . 10332 1 96 . ALA . 10332 1 97 . LYS . 10332 1 98 . VAL . 10332 1 99 . THR . 10332 1 100 . GLY . 10332 1 101 . PRO . 10332 1 102 . ARG . 10332 1 103 . LEU . 10332 1 104 . SER . 10332 1 105 . GLY . 10332 1 106 . SER . 10332 1 107 . GLY . 10332 1 108 . PRO . 10332 1 109 . SER . 10332 1 110 . SER . 10332 1 111 . GLY . 10332 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 10332 1 . SER 2 2 10332 1 . SER 3 3 10332 1 . GLY 4 4 10332 1 . SER 5 5 10332 1 . SER 6 6 10332 1 . GLY 7 7 10332 1 . ALA 8 8 10332 1 . GLY 9 9 10332 1 . ASP 10 10 10332 1 . PRO 11 11 10332 1 . GLY 12 12 10332 1 . LEU 13 13 10332 1 . VAL 14 14 10332 1 . SER 15 15 10332 1 . ALA 16 16 10332 1 . TYR 17 17 10332 1 . GLY 18 18 10332 1 . PRO 19 19 10332 1 . GLY 20 20 10332 1 . LEU 21 21 10332 1 . GLU 22 22 10332 1 . GLY 23 23 10332 1 . GLY 24 24 10332 1 . THR 25 25 10332 1 . THR 26 26 10332 1 . GLY 27 27 10332 1 . VAL 28 28 10332 1 . SER 29 29 10332 1 . SER 30 30 10332 1 . GLU 31 31 10332 1 . PHE 32 32 10332 1 . ILE 33 33 10332 1 . VAL 34 34 10332 1 . ASN 35 35 10332 1 . THR 36 36 10332 1 . LEU 37 37 10332 1 . ASN 38 38 10332 1 . ALA 39 39 10332 1 . GLY 40 40 10332 1 . SER 41 41 10332 1 . GLY 42 42 10332 1 . ALA 43 43 10332 1 . LEU 44 44 10332 1 . SER 45 45 10332 1 . VAL 46 46 10332 1 . THR 47 47 10332 1 . ILE 48 48 10332 1 . ASP 49 49 10332 1 . GLY 50 50 10332 1 . PRO 51 51 10332 1 . SER 52 52 10332 1 . LYS 53 53 10332 1 . VAL 54 54 10332 1 . GLN 55 55 10332 1 . LEU 56 56 10332 1 . ASP 57 57 10332 1 . CYS 58 58 10332 1 . ARG 59 59 10332 1 . GLU 60 60 10332 1 . CYS 61 61 10332 1 . PRO 62 62 10332 1 . GLU 63 63 10332 1 . GLY 64 64 10332 1 . HIS 65 65 10332 1 . VAL 66 66 10332 1 . VAL 67 67 10332 1 . THR 68 68 10332 1 . TYR 69 69 10332 1 . THR 70 70 10332 1 . PRO 71 71 10332 1 . MET 72 72 10332 1 . ALA 73 73 10332 1 . PRO 74 74 10332 1 . GLY 75 75 10332 1 . ASN 76 76 10332 1 . TYR 77 77 10332 1 . LEU 78 78 10332 1 . ILE 79 79 10332 1 . ALA 80 80 10332 1 . ILE 81 81 10332 1 . LYS 82 82 10332 1 . TYR 83 83 10332 1 . GLY 84 84 10332 1 . GLY 85 85 10332 1 . PRO 86 86 10332 1 . GLN 87 87 10332 1 . HIS 88 88 10332 1 . ILE 89 89 10332 1 . VAL 90 90 10332 1 . GLY 91 91 10332 1 . SER 92 92 10332 1 . PRO 93 93 10332 1 . PHE 94 94 10332 1 . LYS 95 95 10332 1 . ALA 96 96 10332 1 . LYS 97 97 10332 1 . VAL 98 98 10332 1 . THR 99 99 10332 1 . GLY 100 100 10332 1 . PRO 101 101 10332 1 . ARG 102 102 10332 1 . LEU 103 103 10332 1 . SER 104 104 10332 1 . GLY 105 105 10332 1 . SER 106 106 10332 1 . GLY 107 107 10332 1 . PRO 108 108 10332 1 . SER 109 109 10332 1 . SER 110 110 10332 1 . GLY 111 111 10332 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 10332 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10332 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 10332 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P050404-09 . . . . . . 10332 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10332 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Filamin domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.13 . . mM . . . . 10332 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10332 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10332 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10332 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10332 1 6 H2O . . . . . . solvent 90 . . % . . . . 10332 1 7 D2O . . . . . . solvent 10 . . % . . . . 10332 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 10332 _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 10332 1 pH 7.0 0.05 pH 10332 1 pressure 1 0.001 atm 10332 1 temperature 296 0.1 K 10332 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10332 _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 . . 10332 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10332 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10332 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10332 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10332 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10332 _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.' . . 10332 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10332 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10332 _Software.ID 4 _Software.Name Kujira _Software.Version 0.932 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10332 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10332 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10332 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10332 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10332 5 'structure solution' 10332 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 10332 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10332 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 10332 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 10332 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10332 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10332 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 10332 _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 . . . . . . . . . 10332 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10332 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10332 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 10332 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10332 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10332 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.864 0.030 . 1 . . . . 1 GLY HA2 . 10332 1 2 . 1 1 1 1 GLY HA3 H 1 3.864 0.030 . 1 . . . . 1 GLY HA3 . 10332 1 3 . 1 1 1 1 GLY CA C 13 43.693 0.300 . 1 . . . . 1 GLY CA . 10332 1 4 . 1 1 7 7 GLY HA2 H 1 3.982 0.030 . 1 . . . . 7 GLY HA2 . 10332 1 5 . 1 1 7 7 GLY HA3 H 1 3.982 0.030 . 1 . . . . 7 GLY HA3 . 10332 1 6 . 1 1 7 7 GLY C C 13 173.710 0.300 . 1 . . . . 7 GLY C . 10332 1 7 . 1 1 7 7 GLY CA C 13 45.286 0.300 . 1 . . . . 7 GLY CA . 10332 1 8 . 1 1 8 8 ALA H H 1 8.183 0.030 . 1 . . . . 8 ALA H . 10332 1 9 . 1 1 8 8 ALA HA H 1 4.392 0.030 . 1 . . . . 8 ALA HA . 10332 1 10 . 1 1 8 8 ALA HB1 H 1 1.392 0.030 . 1 . . . . 8 ALA HB . 10332 1 11 . 1 1 8 8 ALA HB2 H 1 1.392 0.030 . 1 . . . . 8 ALA HB . 10332 1 12 . 1 1 8 8 ALA HB3 H 1 1.392 0.030 . 1 . . . . 8 ALA HB . 10332 1 13 . 1 1 8 8 ALA C C 13 177.783 0.300 . 1 . . . . 8 ALA C . 10332 1 14 . 1 1 8 8 ALA CA C 13 52.398 0.300 . 1 . . . . 8 ALA CA . 10332 1 15 . 1 1 8 8 ALA CB C 13 19.515 0.300 . 1 . . . . 8 ALA CB . 10332 1 16 . 1 1 8 8 ALA N N 15 123.838 0.300 . 1 . . . . 8 ALA N . 10332 1 17 . 1 1 9 9 GLY H H 1 8.266 0.030 . 1 . . . . 9 GLY H . 10332 1 18 . 1 1 9 9 GLY HA2 H 1 4.090 0.030 . 2 . . . . 9 GLY HA2 . 10332 1 19 . 1 1 9 9 GLY HA3 H 1 3.779 0.030 . 2 . . . . 9 GLY HA3 . 10332 1 20 . 1 1 9 9 GLY C C 13 173.163 0.300 . 1 . . . . 9 GLY C . 10332 1 21 . 1 1 9 9 GLY CA C 13 45.218 0.300 . 1 . . . . 9 GLY CA . 10332 1 22 . 1 1 9 9 GLY N N 15 108.403 0.300 . 1 . . . . 9 GLY N . 10332 1 23 . 1 1 10 10 ASP H H 1 8.302 0.030 . 1 . . . . 10 ASP H . 10332 1 24 . 1 1 10 10 ASP HA H 1 5.076 0.030 . 1 . . . . 10 ASP HA . 10332 1 25 . 1 1 10 10 ASP HB2 H 1 2.871 0.030 . 2 . . . . 10 ASP HB2 . 10332 1 26 . 1 1 10 10 ASP HB3 H 1 2.561 0.030 . 2 . . . . 10 ASP HB3 . 10332 1 27 . 1 1 10 10 ASP C C 13 175.191 0.300 . 1 . . . . 10 ASP C . 10332 1 28 . 1 1 10 10 ASP CA C 13 51.450 0.300 . 1 . . . . 10 ASP CA . 10332 1 29 . 1 1 10 10 ASP CB C 13 42.015 0.300 . 1 . . . . 10 ASP CB . 10332 1 30 . 1 1 10 10 ASP N N 15 121.654 0.300 . 1 . . . . 10 ASP N . 10332 1 31 . 1 1 11 11 PRO HA H 1 4.349 0.030 . 1 . . . . 11 PRO HA . 10332 1 32 . 1 1 11 11 PRO HB2 H 1 2.473 0.030 . 2 . . . . 11 PRO HB2 . 10332 1 33 . 1 1 11 11 PRO HB3 H 1 2.045 0.030 . 2 . . . . 11 PRO HB3 . 10332 1 34 . 1 1 11 11 PRO HD2 H 1 4.029 0.030 . 2 . . . . 11 PRO HD2 . 10332 1 35 . 1 1 11 11 PRO HD3 H 1 3.957 0.030 . 2 . . . . 11 PRO HD3 . 10332 1 36 . 1 1 11 11 PRO HG2 H 1 2.153 0.030 . 2 . . . . 11 PRO HG2 . 10332 1 37 . 1 1 11 11 PRO HG3 H 1 2.060 0.030 . 2 . . . . 11 PRO HG3 . 10332 1 38 . 1 1 11 11 PRO C C 13 177.908 0.300 . 1 . . . . 11 PRO C . 10332 1 39 . 1 1 11 11 PRO CA C 13 64.269 0.300 . 1 . . . . 11 PRO CA . 10332 1 40 . 1 1 11 11 PRO CB C 13 31.936 0.300 . 1 . . . . 11 PRO CB . 10332 1 41 . 1 1 11 11 PRO CD C 13 51.028 0.300 . 1 . . . . 11 PRO CD . 10332 1 42 . 1 1 11 11 PRO CG C 13 27.241 0.300 . 1 . . . . 11 PRO CG . 10332 1 43 . 1 1 12 12 GLY H H 1 8.646 0.030 . 1 . . . . 12 GLY H . 10332 1 44 . 1 1 12 12 GLY HA2 H 1 4.112 0.030 . 2 . . . . 12 GLY HA2 . 10332 1 45 . 1 1 12 12 GLY HA3 H 1 3.828 0.030 . 2 . . . . 12 GLY HA3 . 10332 1 46 . 1 1 12 12 GLY C C 13 174.451 0.300 . 1 . . . . 12 GLY C . 10332 1 47 . 1 1 12 12 GLY CA C 13 45.792 0.300 . 1 . . . . 12 GLY CA . 10332 1 48 . 1 1 12 12 GLY N N 15 106.665 0.300 . 1 . . . . 12 GLY N . 10332 1 49 . 1 1 13 13 LEU H H 1 7.755 0.030 . 1 . . . . 13 LEU H . 10332 1 50 . 1 1 13 13 LEU HA H 1 4.482 0.030 . 1 . . . . 13 LEU HA . 10332 1 51 . 1 1 13 13 LEU HB2 H 1 1.568 0.030 . 2 . . . . 13 LEU HB2 . 10332 1 52 . 1 1 13 13 LEU HB3 H 1 1.622 0.030 . 2 . . . . 13 LEU HB3 . 10332 1 53 . 1 1 13 13 LEU HD11 H 1 0.988 0.030 . 1 . . . . 13 LEU HD1 . 10332 1 54 . 1 1 13 13 LEU HD12 H 1 0.988 0.030 . 1 . . . . 13 LEU HD1 . 10332 1 55 . 1 1 13 13 LEU HD13 H 1 0.988 0.030 . 1 . . . . 13 LEU HD1 . 10332 1 56 . 1 1 13 13 LEU HD21 H 1 0.840 0.030 . 1 . . . . 13 LEU HD2 . 10332 1 57 . 1 1 13 13 LEU HD22 H 1 0.840 0.030 . 1 . . . . 13 LEU HD2 . 10332 1 58 . 1 1 13 13 LEU HD23 H 1 0.840 0.030 . 1 . . . . 13 LEU HD2 . 10332 1 59 . 1 1 13 13 LEU HG H 1 1.551 0.030 . 1 . . . . 13 LEU HG . 10332 1 60 . 1 1 13 13 LEU C C 13 176.805 0.300 . 1 . . . . 13 LEU C . 10332 1 61 . 1 1 13 13 LEU CA C 13 54.322 0.300 . 1 . . . . 13 LEU CA . 10332 1 62 . 1 1 13 13 LEU CB C 13 42.713 0.300 . 1 . . . . 13 LEU CB . 10332 1 63 . 1 1 13 13 LEU CD1 C 13 25.742 0.300 . 2 . . . . 13 LEU CD1 . 10332 1 64 . 1 1 13 13 LEU CD2 C 13 22.678 0.300 . 2 . . . . 13 LEU CD2 . 10332 1 65 . 1 1 13 13 LEU CG C 13 26.951 0.300 . 1 . . . . 13 LEU CG . 10332 1 66 . 1 1 13 13 LEU N N 15 119.182 0.300 . 1 . . . . 13 LEU N . 10332 1 67 . 1 1 14 14 VAL H H 1 7.422 0.030 . 1 . . . . 14 VAL H . 10332 1 68 . 1 1 14 14 VAL HA H 1 4.142 0.030 . 1 . . . . 14 VAL HA . 10332 1 69 . 1 1 14 14 VAL HB H 1 1.850 0.030 . 1 . . . . 14 VAL HB . 10332 1 70 . 1 1 14 14 VAL HG11 H 1 0.638 0.030 . 1 . . . . 14 VAL HG1 . 10332 1 71 . 1 1 14 14 VAL HG12 H 1 0.638 0.030 . 1 . . . . 14 VAL HG1 . 10332 1 72 . 1 1 14 14 VAL HG13 H 1 0.638 0.030 . 1 . . . . 14 VAL HG1 . 10332 1 73 . 1 1 14 14 VAL HG21 H 1 0.360 0.030 . 1 . . . . 14 VAL HG2 . 10332 1 74 . 1 1 14 14 VAL HG22 H 1 0.360 0.030 . 1 . . . . 14 VAL HG2 . 10332 1 75 . 1 1 14 14 VAL HG23 H 1 0.360 0.030 . 1 . . . . 14 VAL HG2 . 10332 1 76 . 1 1 14 14 VAL C C 13 174.602 0.300 . 1 . . . . 14 VAL C . 10332 1 77 . 1 1 14 14 VAL CA C 13 62.437 0.300 . 1 . . . . 14 VAL CA . 10332 1 78 . 1 1 14 14 VAL CB C 13 32.525 0.300 . 1 . . . . 14 VAL CB . 10332 1 79 . 1 1 14 14 VAL CG1 C 13 23.073 0.300 . 2 . . . . 14 VAL CG1 . 10332 1 80 . 1 1 14 14 VAL CG2 C 13 23.162 0.300 . 2 . . . . 14 VAL CG2 . 10332 1 81 . 1 1 14 14 VAL N N 15 122.691 0.300 . 1 . . . . 14 VAL N . 10332 1 82 . 1 1 15 15 SER H H 1 8.088 0.030 . 1 . . . . 15 SER H . 10332 1 83 . 1 1 15 15 SER HA H 1 5.079 0.030 . 1 . . . . 15 SER HA . 10332 1 84 . 1 1 15 15 SER HB2 H 1 3.980 0.030 . 2 . . . . 15 SER HB2 . 10332 1 85 . 1 1 15 15 SER HB3 H 1 3.901 0.030 . 2 . . . . 15 SER HB3 . 10332 1 86 . 1 1 15 15 SER C C 13 171.760 0.300 . 1 . . . . 15 SER C . 10332 1 87 . 1 1 15 15 SER CA C 13 56.426 0.300 . 1 . . . . 15 SER CA . 10332 1 88 . 1 1 15 15 SER CB C 13 66.526 0.300 . 1 . . . . 15 SER CB . 10332 1 89 . 1 1 15 15 SER N N 15 120.203 0.300 . 1 . . . . 15 SER N . 10332 1 90 . 1 1 16 16 ALA H H 1 8.790 0.030 . 1 . . . . 16 ALA H . 10332 1 91 . 1 1 16 16 ALA HA H 1 5.621 0.030 . 1 . . . . 16 ALA HA . 10332 1 92 . 1 1 16 16 ALA HB1 H 1 1.078 0.030 . 1 . . . . 16 ALA HB . 10332 1 93 . 1 1 16 16 ALA HB2 H 1 1.078 0.030 . 1 . . . . 16 ALA HB . 10332 1 94 . 1 1 16 16 ALA HB3 H 1 1.078 0.030 . 1 . . . . 16 ALA HB . 10332 1 95 . 1 1 16 16 ALA C C 13 175.565 0.300 . 1 . . . . 16 ALA C . 10332 1 96 . 1 1 16 16 ALA CA C 13 50.442 0.300 . 1 . . . . 16 ALA CA . 10332 1 97 . 1 1 16 16 ALA CB C 13 23.185 0.300 . 1 . . . . 16 ALA CB . 10332 1 98 . 1 1 16 16 ALA N N 15 124.139 0.300 . 1 . . . . 16 ALA N . 10332 1 99 . 1 1 17 17 TYR H H 1 8.692 0.030 . 1 . . . . 17 TYR H . 10332 1 100 . 1 1 17 17 TYR HA H 1 4.723 0.030 . 1 . . . . 17 TYR HA . 10332 1 101 . 1 1 17 17 TYR HB2 H 1 3.212 0.030 . 2 . . . . 17 TYR HB2 . 10332 1 102 . 1 1 17 17 TYR HB3 H 1 2.924 0.030 . 2 . . . . 17 TYR HB3 . 10332 1 103 . 1 1 17 17 TYR HD1 H 1 6.853 0.030 . 1 . . . . 17 TYR HD1 . 10332 1 104 . 1 1 17 17 TYR HD2 H 1 6.853 0.030 . 1 . . . . 17 TYR HD2 . 10332 1 105 . 1 1 17 17 TYR HE1 H 1 6.748 0.030 . 1 . . . . 17 TYR HE1 . 10332 1 106 . 1 1 17 17 TYR HE2 H 1 6.748 0.030 . 1 . . . . 17 TYR HE2 . 10332 1 107 . 1 1 17 17 TYR C C 13 173.394 0.300 . 1 . . . . 17 TYR C . 10332 1 108 . 1 1 17 17 TYR CA C 13 56.427 0.300 . 1 . . . . 17 TYR CA . 10332 1 109 . 1 1 17 17 TYR CB C 13 39.207 0.300 . 1 . . . . 17 TYR CB . 10332 1 110 . 1 1 17 17 TYR CD1 C 13 133.988 0.300 . 1 . . . . 17 TYR CD1 . 10332 1 111 . 1 1 17 17 TYR CD2 C 13 133.988 0.300 . 1 . . . . 17 TYR CD2 . 10332 1 112 . 1 1 17 17 TYR CE1 C 13 117.622 0.300 . 1 . . . . 17 TYR CE1 . 10332 1 113 . 1 1 17 17 TYR CE2 C 13 117.622 0.300 . 1 . . . . 17 TYR CE2 . 10332 1 114 . 1 1 17 17 TYR N N 15 117.089 0.300 . 1 . . . . 17 TYR N . 10332 1 115 . 1 1 18 18 GLY H H 1 8.642 0.030 . 1 . . . . 18 GLY H . 10332 1 116 . 1 1 18 18 GLY HA2 H 1 4.177 0.030 . 2 . . . . 18 GLY HA2 . 10332 1 117 . 1 1 18 18 GLY HA3 H 1 4.928 0.030 . 2 . . . . 18 GLY HA3 . 10332 1 118 . 1 1 18 18 GLY C C 13 173.395 0.300 . 1 . . . . 18 GLY C . 10332 1 119 . 1 1 18 18 GLY CA C 13 44.250 0.300 . 1 . . . . 18 GLY CA . 10332 1 120 . 1 1 18 18 GLY N N 15 109.380 0.300 . 1 . . . . 18 GLY N . 10332 1 121 . 1 1 19 19 PRO HA H 1 4.443 0.030 . 1 . . . . 19 PRO HA . 10332 1 122 . 1 1 19 19 PRO HB2 H 1 2.432 0.030 . 2 . . . . 19 PRO HB2 . 10332 1 123 . 1 1 19 19 PRO HB3 H 1 2.250 0.030 . 2 . . . . 19 PRO HB3 . 10332 1 124 . 1 1 19 19 PRO HD2 H 1 3.759 0.030 . 2 . . . . 19 PRO HD2 . 10332 1 125 . 1 1 19 19 PRO HD3 H 1 3.935 0.030 . 2 . . . . 19 PRO HD3 . 10332 1 126 . 1 1 19 19 PRO HG2 H 1 2.158 0.030 . 2 . . . . 19 PRO HG2 . 10332 1 127 . 1 1 19 19 PRO HG3 H 1 2.412 0.030 . 2 . . . . 19 PRO HG3 . 10332 1 128 . 1 1 19 19 PRO C C 13 179.958 0.300 . 1 . . . . 19 PRO C . 10332 1 129 . 1 1 19 19 PRO CA C 13 65.403 0.300 . 1 . . . . 19 PRO CA . 10332 1 130 . 1 1 19 19 PRO CB C 13 31.510 0.300 . 1 . . . . 19 PRO CB . 10332 1 131 . 1 1 19 19 PRO CD C 13 50.185 0.300 . 1 . . . . 19 PRO CD . 10332 1 132 . 1 1 19 19 PRO CG C 13 27.787 0.300 . 1 . . . . 19 PRO CG . 10332 1 133 . 1 1 20 20 GLY H H 1 8.801 0.030 . 1 . . . . 20 GLY H . 10332 1 134 . 1 1 20 20 GLY HA2 H 1 4.460 0.030 . 2 . . . . 20 GLY HA2 . 10332 1 135 . 1 1 20 20 GLY HA3 H 1 3.489 0.030 . 2 . . . . 20 GLY HA3 . 10332 1 136 . 1 1 20 20 GLY C C 13 173.981 0.300 . 1 . . . . 20 GLY C . 10332 1 137 . 1 1 20 20 GLY CA C 13 46.670 0.300 . 1 . . . . 20 GLY CA . 10332 1 138 . 1 1 20 20 GLY N N 15 103.442 0.300 . 1 . . . . 20 GLY N . 10332 1 139 . 1 1 21 21 LEU H H 1 7.463 0.030 . 1 . . . . 21 LEU H . 10332 1 140 . 1 1 21 21 LEU HA H 1 3.781 0.030 . 1 . . . . 21 LEU HA . 10332 1 141 . 1 1 21 21 LEU HB2 H 1 1.306 0.030 . 2 . . . . 21 LEU HB2 . 10332 1 142 . 1 1 21 21 LEU HB3 H 1 1.112 0.030 . 2 . . . . 21 LEU HB3 . 10332 1 143 . 1 1 21 21 LEU HD11 H 1 -0.207 0.030 . 1 . . . . 21 LEU HD1 . 10332 1 144 . 1 1 21 21 LEU HD12 H 1 -0.207 0.030 . 1 . . . . 21 LEU HD1 . 10332 1 145 . 1 1 21 21 LEU HD13 H 1 -0.207 0.030 . 1 . . . . 21 LEU HD1 . 10332 1 146 . 1 1 21 21 LEU HD21 H 1 -0.907 0.030 . 1 . . . . 21 LEU HD2 . 10332 1 147 . 1 1 21 21 LEU HD22 H 1 -0.907 0.030 . 1 . . . . 21 LEU HD2 . 10332 1 148 . 1 1 21 21 LEU HD23 H 1 -0.907 0.030 . 1 . . . . 21 LEU HD2 . 10332 1 149 . 1 1 21 21 LEU HG H 1 0.591 0.030 . 1 . . . . 21 LEU HG . 10332 1 150 . 1 1 21 21 LEU C C 13 176.111 0.300 . 1 . . . . 21 LEU C . 10332 1 151 . 1 1 21 21 LEU CA C 13 55.558 0.300 . 1 . . . . 21 LEU CA . 10332 1 152 . 1 1 21 21 LEU CB C 13 41.793 0.300 . 1 . . . . 21 LEU CB . 10332 1 153 . 1 1 21 21 LEU CD1 C 13 23.518 0.300 . 2 . . . . 21 LEU CD1 . 10332 1 154 . 1 1 21 21 LEU CD2 C 13 20.504 0.300 . 2 . . . . 21 LEU CD2 . 10332 1 155 . 1 1 21 21 LEU CG C 13 25.983 0.300 . 1 . . . . 21 LEU CG . 10332 1 156 . 1 1 21 21 LEU N N 15 118.503 0.300 . 1 . . . . 21 LEU N . 10332 1 157 . 1 1 22 22 GLU H H 1 7.391 0.030 . 1 . . . . 22 GLU H . 10332 1 158 . 1 1 22 22 GLU HA H 1 4.681 0.030 . 1 . . . . 22 GLU HA . 10332 1 159 . 1 1 22 22 GLU HB2 H 1 2.217 0.030 . 2 . . . . 22 GLU HB2 . 10332 1 160 . 1 1 22 22 GLU HB3 H 1 2.098 0.030 . 2 . . . . 22 GLU HB3 . 10332 1 161 . 1 1 22 22 GLU HG2 H 1 2.327 0.030 . 1 . . . . 22 GLU HG2 . 10332 1 162 . 1 1 22 22 GLU HG3 H 1 2.327 0.030 . 1 . . . . 22 GLU HG3 . 10332 1 163 . 1 1 22 22 GLU C C 13 177.847 0.300 . 1 . . . . 22 GLU C . 10332 1 164 . 1 1 22 22 GLU CA C 13 56.342 0.300 . 1 . . . . 22 GLU CA . 10332 1 165 . 1 1 22 22 GLU CB C 13 31.857 0.300 . 1 . . . . 22 GLU CB . 10332 1 166 . 1 1 22 22 GLU CG C 13 36.448 0.300 . 1 . . . . 22 GLU CG . 10332 1 167 . 1 1 22 22 GLU N N 15 112.961 0.300 . 1 . . . . 22 GLU N . 10332 1 168 . 1 1 23 23 GLY H H 1 7.818 0.030 . 1 . . . . 23 GLY H . 10332 1 169 . 1 1 23 23 GLY HA2 H 1 4.658 0.030 . 2 . . . . 23 GLY HA2 . 10332 1 170 . 1 1 23 23 GLY HA3 H 1 4.015 0.030 . 2 . . . . 23 GLY HA3 . 10332 1 171 . 1 1 23 23 GLY C C 13 171.735 0.300 . 1 . . . . 23 GLY C . 10332 1 172 . 1 1 23 23 GLY CA C 13 45.592 0.300 . 1 . . . . 23 GLY CA . 10332 1 173 . 1 1 23 23 GLY N N 15 107.937 0.300 . 1 . . . . 23 GLY N . 10332 1 174 . 1 1 24 24 GLY H H 1 7.708 0.030 . 1 . . . . 24 GLY H . 10332 1 175 . 1 1 24 24 GLY HA2 H 1 4.046 0.030 . 1 . . . . 24 GLY HA2 . 10332 1 176 . 1 1 24 24 GLY HA3 H 1 4.046 0.030 . 1 . . . . 24 GLY HA3 . 10332 1 177 . 1 1 24 24 GLY C C 13 171.594 0.300 . 1 . . . . 24 GLY C . 10332 1 178 . 1 1 24 24 GLY CA C 13 45.180 0.300 . 1 . . . . 24 GLY CA . 10332 1 179 . 1 1 24 24 GLY N N 15 105.651 0.300 . 1 . . . . 24 GLY N . 10332 1 180 . 1 1 25 25 THR H H 1 9.144 0.030 . 1 . . . . 25 THR H . 10332 1 181 . 1 1 25 25 THR HA H 1 5.278 0.030 . 1 . . . . 25 THR HA . 10332 1 182 . 1 1 25 25 THR HB H 1 3.688 0.030 . 1 . . . . 25 THR HB . 10332 1 183 . 1 1 25 25 THR HG21 H 1 1.214 0.030 . 1 . . . . 25 THR HG2 . 10332 1 184 . 1 1 25 25 THR HG22 H 1 1.214 0.030 . 1 . . . . 25 THR HG2 . 10332 1 185 . 1 1 25 25 THR HG23 H 1 1.214 0.030 . 1 . . . . 25 THR HG2 . 10332 1 186 . 1 1 25 25 THR C C 13 173.618 0.300 . 1 . . . . 25 THR C . 10332 1 187 . 1 1 25 25 THR CA C 13 60.504 0.300 . 1 . . . . 25 THR CA . 10332 1 188 . 1 1 25 25 THR CB C 13 72.048 0.300 . 1 . . . . 25 THR CB . 10332 1 189 . 1 1 25 25 THR CG2 C 13 21.277 0.300 . 1 . . . . 25 THR CG2 . 10332 1 190 . 1 1 25 25 THR N N 15 118.149 0.300 . 1 . . . . 25 THR N . 10332 1 191 . 1 1 26 26 THR H H 1 8.271 0.030 . 1 . . . . 26 THR H . 10332 1 192 . 1 1 26 26 THR HA H 1 3.678 0.030 . 1 . . . . 26 THR HA . 10332 1 193 . 1 1 26 26 THR HB H 1 3.838 0.030 . 1 . . . . 26 THR HB . 10332 1 194 . 1 1 26 26 THR HG21 H 1 0.694 0.030 . 1 . . . . 26 THR HG2 . 10332 1 195 . 1 1 26 26 THR HG22 H 1 0.694 0.030 . 1 . . . . 26 THR HG2 . 10332 1 196 . 1 1 26 26 THR HG23 H 1 0.694 0.030 . 1 . . . . 26 THR HG2 . 10332 1 197 . 1 1 26 26 THR C C 13 175.630 0.300 . 1 . . . . 26 THR C . 10332 1 198 . 1 1 26 26 THR CA C 13 63.011 0.300 . 1 . . . . 26 THR CA . 10332 1 199 . 1 1 26 26 THR CB C 13 68.689 0.300 . 1 . . . . 26 THR CB . 10332 1 200 . 1 1 26 26 THR CG2 C 13 23.364 0.300 . 1 . . . . 26 THR CG2 . 10332 1 201 . 1 1 26 26 THR N N 15 116.261 0.300 . 1 . . . . 26 THR N . 10332 1 202 . 1 1 27 27 GLY H H 1 8.706 0.030 . 1 . . . . 27 GLY H . 10332 1 203 . 1 1 27 27 GLY HA2 H 1 3.997 0.030 . 2 . . . . 27 GLY HA2 . 10332 1 204 . 1 1 27 27 GLY HA3 H 1 3.420 0.030 . 2 . . . . 27 GLY HA3 . 10332 1 205 . 1 1 27 27 GLY C C 13 172.821 0.300 . 1 . . . . 27 GLY C . 10332 1 206 . 1 1 27 27 GLY CA C 13 45.586 0.300 . 1 . . . . 27 GLY CA . 10332 1 207 . 1 1 27 27 GLY N N 15 107.819 0.300 . 1 . . . . 27 GLY N . 10332 1 208 . 1 1 28 28 VAL H H 1 7.816 0.030 . 1 . . . . 28 VAL H . 10332 1 209 . 1 1 28 28 VAL HA H 1 4.188 0.030 . 1 . . . . 28 VAL HA . 10332 1 210 . 1 1 28 28 VAL HB H 1 1.921 0.030 . 1 . . . . 28 VAL HB . 10332 1 211 . 1 1 28 28 VAL HG11 H 1 0.959 0.030 . 1 . . . . 28 VAL HG1 . 10332 1 212 . 1 1 28 28 VAL HG12 H 1 0.959 0.030 . 1 . . . . 28 VAL HG1 . 10332 1 213 . 1 1 28 28 VAL HG13 H 1 0.959 0.030 . 1 . . . . 28 VAL HG1 . 10332 1 214 . 1 1 28 28 VAL HG21 H 1 0.741 0.030 . 1 . . . . 28 VAL HG2 . 10332 1 215 . 1 1 28 28 VAL HG22 H 1 0.741 0.030 . 1 . . . . 28 VAL HG2 . 10332 1 216 . 1 1 28 28 VAL HG23 H 1 0.741 0.030 . 1 . . . . 28 VAL HG2 . 10332 1 217 . 1 1 28 28 VAL C C 13 175.222 0.300 . 1 . . . . 28 VAL C . 10332 1 218 . 1 1 28 28 VAL CA C 13 60.838 0.300 . 1 . . . . 28 VAL CA . 10332 1 219 . 1 1 28 28 VAL CB C 13 33.779 0.300 . 1 . . . . 28 VAL CB . 10332 1 220 . 1 1 28 28 VAL CG1 C 13 21.210 0.300 . 2 . . . . 28 VAL CG1 . 10332 1 221 . 1 1 28 28 VAL CG2 C 13 21.341 0.300 . 2 . . . . 28 VAL CG2 . 10332 1 222 . 1 1 28 28 VAL N N 15 122.084 0.300 . 1 . . . . 28 VAL N . 10332 1 223 . 1 1 29 29 SER H H 1 8.477 0.030 . 1 . . . . 29 SER H . 10332 1 224 . 1 1 29 29 SER HA H 1 4.492 0.030 . 1 . . . . 29 SER HA . 10332 1 225 . 1 1 29 29 SER HB2 H 1 3.576 0.030 . 1 . . . . 29 SER HB2 . 10332 1 226 . 1 1 29 29 SER HB3 H 1 3.576 0.030 . 1 . . . . 29 SER HB3 . 10332 1 227 . 1 1 29 29 SER C C 13 174.576 0.300 . 1 . . . . 29 SER C . 10332 1 228 . 1 1 29 29 SER CA C 13 59.017 0.300 . 1 . . . . 29 SER CA . 10332 1 229 . 1 1 29 29 SER CB C 13 63.434 0.300 . 1 . . . . 29 SER CB . 10332 1 230 . 1 1 29 29 SER N N 15 122.295 0.300 . 1 . . . . 29 SER N . 10332 1 231 . 1 1 30 30 SER H H 1 8.978 0.030 . 1 . . . . 30 SER H . 10332 1 232 . 1 1 30 30 SER HA H 1 4.697 0.030 . 1 . . . . 30 SER HA . 10332 1 233 . 1 1 30 30 SER HB2 H 1 3.371 0.030 . 2 . . . . 30 SER HB2 . 10332 1 234 . 1 1 30 30 SER HB3 H 1 2.752 0.030 . 2 . . . . 30 SER HB3 . 10332 1 235 . 1 1 30 30 SER C C 13 172.314 0.300 . 1 . . . . 30 SER C . 10332 1 236 . 1 1 30 30 SER CA C 13 57.888 0.300 . 1 . . . . 30 SER CA . 10332 1 237 . 1 1 30 30 SER CB C 13 66.437 0.300 . 1 . . . . 30 SER CB . 10332 1 238 . 1 1 30 30 SER N N 15 122.838 0.300 . 1 . . . . 30 SER N . 10332 1 239 . 1 1 31 31 GLU H H 1 8.339 0.030 . 1 . . . . 31 GLU H . 10332 1 240 . 1 1 31 31 GLU HA H 1 5.801 0.030 . 1 . . . . 31 GLU HA . 10332 1 241 . 1 1 31 31 GLU HB2 H 1 1.813 0.030 . 1 . . . . 31 GLU HB2 . 10332 1 242 . 1 1 31 31 GLU HB3 H 1 1.813 0.030 . 1 . . . . 31 GLU HB3 . 10332 1 243 . 1 1 31 31 GLU HG2 H 1 2.026 0.030 . 1 . . . . 31 GLU HG2 . 10332 1 244 . 1 1 31 31 GLU HG3 H 1 2.026 0.030 . 1 . . . . 31 GLU HG3 . 10332 1 245 . 1 1 31 31 GLU C C 13 176.188 0.300 . 1 . . . . 31 GLU C . 10332 1 246 . 1 1 31 31 GLU CA C 13 54.199 0.300 . 1 . . . . 31 GLU CA . 10332 1 247 . 1 1 31 31 GLU CB C 13 35.053 0.300 . 1 . . . . 31 GLU CB . 10332 1 248 . 1 1 31 31 GLU CG C 13 36.613 0.300 . 1 . . . . 31 GLU CG . 10332 1 249 . 1 1 31 31 GLU N N 15 119.638 0.300 . 1 . . . . 31 GLU N . 10332 1 250 . 1 1 32 32 PHE H H 1 8.639 0.030 . 1 . . . . 32 PHE H . 10332 1 251 . 1 1 32 32 PHE HA H 1 4.900 0.030 . 1 . . . . 32 PHE HA . 10332 1 252 . 1 1 32 32 PHE HB2 H 1 2.664 0.030 . 2 . . . . 32 PHE HB2 . 10332 1 253 . 1 1 32 32 PHE HB3 H 1 2.810 0.030 . 2 . . . . 32 PHE HB3 . 10332 1 254 . 1 1 32 32 PHE HD1 H 1 6.557 0.030 . 1 . . . . 32 PHE HD1 . 10332 1 255 . 1 1 32 32 PHE HD2 H 1 6.557 0.030 . 1 . . . . 32 PHE HD2 . 10332 1 256 . 1 1 32 32 PHE HE1 H 1 6.797 0.030 . 1 . . . . 32 PHE HE1 . 10332 1 257 . 1 1 32 32 PHE HE2 H 1 6.797 0.030 . 1 . . . . 32 PHE HE2 . 10332 1 258 . 1 1 32 32 PHE HZ H 1 6.713 0.030 . 1 . . . . 32 PHE HZ . 10332 1 259 . 1 1 32 32 PHE C C 13 170.697 0.300 . 1 . . . . 32 PHE C . 10332 1 260 . 1 1 32 32 PHE CA C 13 56.969 0.300 . 1 . . . . 32 PHE CA . 10332 1 261 . 1 1 32 32 PHE CB C 13 41.020 0.300 . 1 . . . . 32 PHE CB . 10332 1 262 . 1 1 32 32 PHE CD1 C 13 132.062 0.300 . 1 . . . . 32 PHE CD1 . 10332 1 263 . 1 1 32 32 PHE CD2 C 13 132.062 0.300 . 1 . . . . 32 PHE CD2 . 10332 1 264 . 1 1 32 32 PHE CE1 C 13 130.317 0.300 . 1 . . . . 32 PHE CE1 . 10332 1 265 . 1 1 32 32 PHE CE2 C 13 130.317 0.300 . 1 . . . . 32 PHE CE2 . 10332 1 266 . 1 1 32 32 PHE CZ C 13 128.789 0.300 . 1 . . . . 32 PHE CZ . 10332 1 267 . 1 1 32 32 PHE N N 15 116.843 0.300 . 1 . . . . 32 PHE N . 10332 1 268 . 1 1 33 33 ILE H H 1 8.871 0.030 . 1 . . . . 33 ILE H . 10332 1 269 . 1 1 33 33 ILE HA H 1 4.736 0.030 . 1 . . . . 33 ILE HA . 10332 1 270 . 1 1 33 33 ILE HB H 1 1.021 0.030 . 1 . . . . 33 ILE HB . 10332 1 271 . 1 1 33 33 ILE HD11 H 1 0.782 0.030 . 1 . . . . 33 ILE HD1 . 10332 1 272 . 1 1 33 33 ILE HD12 H 1 0.782 0.030 . 1 . . . . 33 ILE HD1 . 10332 1 273 . 1 1 33 33 ILE HD13 H 1 0.782 0.030 . 1 . . . . 33 ILE HD1 . 10332 1 274 . 1 1 33 33 ILE HG12 H 1 1.064 0.030 . 2 . . . . 33 ILE HG12 . 10332 1 275 . 1 1 33 33 ILE HG13 H 1 1.405 0.030 . 2 . . . . 33 ILE HG13 . 10332 1 276 . 1 1 33 33 ILE HG21 H 1 0.543 0.030 . 1 . . . . 33 ILE HG2 . 10332 1 277 . 1 1 33 33 ILE HG22 H 1 0.543 0.030 . 1 . . . . 33 ILE HG2 . 10332 1 278 . 1 1 33 33 ILE HG23 H 1 0.543 0.030 . 1 . . . . 33 ILE HG2 . 10332 1 279 . 1 1 33 33 ILE C C 13 175.174 0.300 . 1 . . . . 33 ILE C . 10332 1 280 . 1 1 33 33 ILE CA C 13 58.815 0.300 . 1 . . . . 33 ILE CA . 10332 1 281 . 1 1 33 33 ILE CB C 13 40.854 0.300 . 1 . . . . 33 ILE CB . 10332 1 282 . 1 1 33 33 ILE CD1 C 13 12.745 0.300 . 1 . . . . 33 ILE CD1 . 10332 1 283 . 1 1 33 33 ILE CG1 C 13 28.591 0.300 . 1 . . . . 33 ILE CG1 . 10332 1 284 . 1 1 33 33 ILE CG2 C 13 17.105 0.300 . 1 . . . . 33 ILE CG2 . 10332 1 285 . 1 1 33 33 ILE N N 15 120.429 0.300 . 1 . . . . 33 ILE N . 10332 1 286 . 1 1 34 34 VAL H H 1 9.124 0.030 . 1 . . . . 34 VAL H . 10332 1 287 . 1 1 34 34 VAL HA H 1 4.335 0.030 . 1 . . . . 34 VAL HA . 10332 1 288 . 1 1 34 34 VAL HB H 1 1.953 0.030 . 1 . . . . 34 VAL HB . 10332 1 289 . 1 1 34 34 VAL HG11 H 1 0.731 0.030 . 1 . . . . 34 VAL HG1 . 10332 1 290 . 1 1 34 34 VAL HG12 H 1 0.731 0.030 . 1 . . . . 34 VAL HG1 . 10332 1 291 . 1 1 34 34 VAL HG13 H 1 0.731 0.030 . 1 . . . . 34 VAL HG1 . 10332 1 292 . 1 1 34 34 VAL HG21 H 1 0.950 0.030 . 1 . . . . 34 VAL HG2 . 10332 1 293 . 1 1 34 34 VAL HG22 H 1 0.950 0.030 . 1 . . . . 34 VAL HG2 . 10332 1 294 . 1 1 34 34 VAL HG23 H 1 0.950 0.030 . 1 . . . . 34 VAL HG2 . 10332 1 295 . 1 1 34 34 VAL C C 13 174.384 0.300 . 1 . . . . 34 VAL C . 10332 1 296 . 1 1 34 34 VAL CA C 13 61.610 0.300 . 1 . . . . 34 VAL CA . 10332 1 297 . 1 1 34 34 VAL CB C 13 32.572 0.300 . 1 . . . . 34 VAL CB . 10332 1 298 . 1 1 34 34 VAL CG1 C 13 22.190 0.300 . 2 . . . . 34 VAL CG1 . 10332 1 299 . 1 1 34 34 VAL CG2 C 13 21.432 0.300 . 2 . . . . 34 VAL CG2 . 10332 1 300 . 1 1 34 34 VAL N N 15 124.046 0.300 . 1 . . . . 34 VAL N . 10332 1 301 . 1 1 35 35 ASN H H 1 9.405 0.030 . 1 . . . . 35 ASN H . 10332 1 302 . 1 1 35 35 ASN HA H 1 5.147 0.030 . 1 . . . . 35 ASN HA . 10332 1 303 . 1 1 35 35 ASN HB2 H 1 3.480 0.030 . 2 . . . . 35 ASN HB2 . 10332 1 304 . 1 1 35 35 ASN HB3 H 1 2.608 0.030 . 2 . . . . 35 ASN HB3 . 10332 1 305 . 1 1 35 35 ASN HD21 H 1 6.739 0.030 . 2 . . . . 35 ASN HD21 . 10332 1 306 . 1 1 35 35 ASN HD22 H 1 7.694 0.030 . 2 . . . . 35 ASN HD22 . 10332 1 307 . 1 1 35 35 ASN C C 13 176.170 0.300 . 1 . . . . 35 ASN C . 10332 1 308 . 1 1 35 35 ASN CA C 13 52.227 0.300 . 1 . . . . 35 ASN CA . 10332 1 309 . 1 1 35 35 ASN CB C 13 39.078 0.300 . 1 . . . . 35 ASN CB . 10332 1 310 . 1 1 35 35 ASN N N 15 127.279 0.300 . 1 . . . . 35 ASN N . 10332 1 311 . 1 1 35 35 ASN ND2 N 15 111.172 0.300 . 1 . . . . 35 ASN ND2 . 10332 1 312 . 1 1 36 36 THR H H 1 8.619 0.030 . 1 . . . . 36 THR H . 10332 1 313 . 1 1 36 36 THR HA H 1 4.286 0.030 . 1 . . . . 36 THR HA . 10332 1 314 . 1 1 36 36 THR HB H 1 4.586 0.030 . 1 . . . . 36 THR HB . 10332 1 315 . 1 1 36 36 THR HG21 H 1 0.877 0.030 . 1 . . . . 36 THR HG2 . 10332 1 316 . 1 1 36 36 THR HG22 H 1 0.877 0.030 . 1 . . . . 36 THR HG2 . 10332 1 317 . 1 1 36 36 THR HG23 H 1 0.877 0.030 . 1 . . . . 36 THR HG2 . 10332 1 318 . 1 1 36 36 THR C C 13 176.261 0.300 . 1 . . . . 36 THR C . 10332 1 319 . 1 1 36 36 THR CA C 13 60.431 0.300 . 1 . . . . 36 THR CA . 10332 1 320 . 1 1 36 36 THR CB C 13 68.378 0.300 . 1 . . . . 36 THR CB . 10332 1 321 . 1 1 36 36 THR CG2 C 13 22.687 0.300 . 1 . . . . 36 THR CG2 . 10332 1 322 . 1 1 36 36 THR N N 15 114.997 0.300 . 1 . . . . 36 THR N . 10332 1 323 . 1 1 37 37 LEU H H 1 8.174 0.030 . 1 . . . . 37 LEU H . 10332 1 324 . 1 1 37 37 LEU HA H 1 4.066 0.030 . 1 . . . . 37 LEU HA . 10332 1 325 . 1 1 37 37 LEU HB2 H 1 1.848 0.030 . 2 . . . . 37 LEU HB2 . 10332 1 326 . 1 1 37 37 LEU HB3 H 1 1.497 0.030 . 2 . . . . 37 LEU HB3 . 10332 1 327 . 1 1 37 37 LEU HD11 H 1 0.977 0.030 . 1 . . . . 37 LEU HD1 . 10332 1 328 . 1 1 37 37 LEU HD12 H 1 0.977 0.030 . 1 . . . . 37 LEU HD1 . 10332 1 329 . 1 1 37 37 LEU HD13 H 1 0.977 0.030 . 1 . . . . 37 LEU HD1 . 10332 1 330 . 1 1 37 37 LEU HD21 H 1 0.918 0.030 . 1 . . . . 37 LEU HD2 . 10332 1 331 . 1 1 37 37 LEU HD22 H 1 0.918 0.030 . 1 . . . . 37 LEU HD2 . 10332 1 332 . 1 1 37 37 LEU HD23 H 1 0.918 0.030 . 1 . . . . 37 LEU HD2 . 10332 1 333 . 1 1 37 37 LEU HG H 1 1.798 0.030 . 1 . . . . 37 LEU HG . 10332 1 334 . 1 1 37 37 LEU C C 13 178.833 0.300 . 1 . . . . 37 LEU C . 10332 1 335 . 1 1 37 37 LEU CA C 13 58.110 0.300 . 1 . . . . 37 LEU CA . 10332 1 336 . 1 1 37 37 LEU CB C 13 42.330 0.300 . 1 . . . . 37 LEU CB . 10332 1 337 . 1 1 37 37 LEU CD1 C 13 25.196 0.300 . 2 . . . . 37 LEU CD1 . 10332 1 338 . 1 1 37 37 LEU CD2 C 13 23.073 0.300 . 2 . . . . 37 LEU CD2 . 10332 1 339 . 1 1 37 37 LEU CG C 13 26.477 0.300 . 1 . . . . 37 LEU CG . 10332 1 340 . 1 1 37 37 LEU N N 15 124.347 0.300 . 1 . . . . 37 LEU N . 10332 1 341 . 1 1 38 38 ASN H H 1 8.850 0.030 . 1 . . . . 38 ASN H . 10332 1 342 . 1 1 38 38 ASN HA H 1 4.901 0.030 . 1 . . . . 38 ASN HA . 10332 1 343 . 1 1 38 38 ASN HB2 H 1 2.995 0.030 . 2 . . . . 38 ASN HB2 . 10332 1 344 . 1 1 38 38 ASN HB3 H 1 2.641 0.030 . 2 . . . . 38 ASN HB3 . 10332 1 345 . 1 1 38 38 ASN HD21 H 1 7.624 0.030 . 2 . . . . 38 ASN HD21 . 10332 1 346 . 1 1 38 38 ASN HD22 H 1 6.969 0.030 . 2 . . . . 38 ASN HD22 . 10332 1 347 . 1 1 38 38 ASN C C 13 174.735 0.300 . 1 . . . . 38 ASN C . 10332 1 348 . 1 1 38 38 ASN CA C 13 53.121 0.300 . 1 . . . . 38 ASN CA . 10332 1 349 . 1 1 38 38 ASN CB C 13 39.104 0.300 . 1 . . . . 38 ASN CB . 10332 1 350 . 1 1 38 38 ASN N N 15 114.708 0.300 . 1 . . . . 38 ASN N . 10332 1 351 . 1 1 38 38 ASN ND2 N 15 113.660 0.300 . 1 . . . . 38 ASN ND2 . 10332 1 352 . 1 1 39 39 ALA H H 1 7.587 0.030 . 1 . . . . 39 ALA H . 10332 1 353 . 1 1 39 39 ALA HA H 1 4.443 0.030 . 1 . . . . 39 ALA HA . 10332 1 354 . 1 1 39 39 ALA HB1 H 1 1.172 0.030 . 1 . . . . 39 ALA HB . 10332 1 355 . 1 1 39 39 ALA HB2 H 1 1.172 0.030 . 1 . . . . 39 ALA HB . 10332 1 356 . 1 1 39 39 ALA HB3 H 1 1.172 0.030 . 1 . . . . 39 ALA HB . 10332 1 357 . 1 1 39 39 ALA C C 13 177.503 0.300 . 1 . . . . 39 ALA C . 10332 1 358 . 1 1 39 39 ALA CA C 13 52.370 0.300 . 1 . . . . 39 ALA CA . 10332 1 359 . 1 1 39 39 ALA CB C 13 21.966 0.300 . 1 . . . . 39 ALA CB . 10332 1 360 . 1 1 39 39 ALA N N 15 121.482 0.300 . 1 . . . . 39 ALA N . 10332 1 361 . 1 1 40 40 GLY H H 1 8.219 0.030 . 1 . . . . 40 GLY H . 10332 1 362 . 1 1 40 40 GLY HA2 H 1 4.260 0.030 . 2 . . . . 40 GLY HA2 . 10332 1 363 . 1 1 40 40 GLY HA3 H 1 3.903 0.030 . 2 . . . . 40 GLY HA3 . 10332 1 364 . 1 1 40 40 GLY C C 13 174.066 0.300 . 1 . . . . 40 GLY C . 10332 1 365 . 1 1 40 40 GLY CA C 13 44.602 0.300 . 1 . . . . 40 GLY CA . 10332 1 366 . 1 1 40 40 GLY N N 15 107.281 0.300 . 1 . . . . 40 GLY N . 10332 1 367 . 1 1 41 41 SER H H 1 8.533 0.030 . 1 . . . . 41 SER H . 10332 1 368 . 1 1 41 41 SER HA H 1 4.556 0.030 . 1 . . . . 41 SER HA . 10332 1 369 . 1 1 41 41 SER HB2 H 1 3.850 0.030 . 1 . . . . 41 SER HB2 . 10332 1 370 . 1 1 41 41 SER HB3 H 1 3.850 0.030 . 1 . . . . 41 SER HB3 . 10332 1 371 . 1 1 41 41 SER C C 13 173.953 0.300 . 1 . . . . 41 SER C . 10332 1 372 . 1 1 41 41 SER CA C 13 58.527 0.300 . 1 . . . . 41 SER CA . 10332 1 373 . 1 1 41 41 SER CB C 13 63.718 0.300 . 1 . . . . 41 SER CB . 10332 1 374 . 1 1 41 41 SER N N 15 116.964 0.300 . 1 . . . . 41 SER N . 10332 1 375 . 1 1 42 42 GLY H H 1 7.879 0.030 . 1 . . . . 42 GLY H . 10332 1 376 . 1 1 42 42 GLY HA2 H 1 3.802 0.030 . 2 . . . . 42 GLY HA2 . 10332 1 377 . 1 1 42 42 GLY HA3 H 1 3.089 0.030 . 2 . . . . 42 GLY HA3 . 10332 1 378 . 1 1 42 42 GLY C C 13 170.626 0.300 . 1 . . . . 42 GLY C . 10332 1 379 . 1 1 42 42 GLY CA C 13 44.603 0.300 . 1 . . . . 42 GLY CA . 10332 1 380 . 1 1 42 42 GLY N N 15 110.325 0.300 . 1 . . . . 42 GLY N . 10332 1 381 . 1 1 43 43 ALA H H 1 7.976 0.030 . 1 . . . . 43 ALA H . 10332 1 382 . 1 1 43 43 ALA HA H 1 4.336 0.030 . 1 . . . . 43 ALA HA . 10332 1 383 . 1 1 43 43 ALA HB1 H 1 1.160 0.030 . 1 . . . . 43 ALA HB . 10332 1 384 . 1 1 43 43 ALA HB2 H 1 1.160 0.030 . 1 . . . . 43 ALA HB . 10332 1 385 . 1 1 43 43 ALA HB3 H 1 1.160 0.030 . 1 . . . . 43 ALA HB . 10332 1 386 . 1 1 43 43 ALA C C 13 176.737 0.300 . 1 . . . . 43 ALA C . 10332 1 387 . 1 1 43 43 ALA CA C 13 51.320 0.300 . 1 . . . . 43 ALA CA . 10332 1 388 . 1 1 43 43 ALA CB C 13 19.563 0.300 . 1 . . . . 43 ALA CB . 10332 1 389 . 1 1 43 43 ALA N N 15 120.449 0.300 . 1 . . . . 43 ALA N . 10332 1 390 . 1 1 44 44 LEU H H 1 8.720 0.030 . 1 . . . . 44 LEU H . 10332 1 391 . 1 1 44 44 LEU HA H 1 4.892 0.030 . 1 . . . . 44 LEU HA . 10332 1 392 . 1 1 44 44 LEU HB2 H 1 1.574 0.030 . 2 . . . . 44 LEU HB2 . 10332 1 393 . 1 1 44 44 LEU HB3 H 1 1.064 0.030 . 2 . . . . 44 LEU HB3 . 10332 1 394 . 1 1 44 44 LEU HD11 H 1 0.857 0.030 . 1 . . . . 44 LEU HD1 . 10332 1 395 . 1 1 44 44 LEU HD12 H 1 0.857 0.030 . 1 . . . . 44 LEU HD1 . 10332 1 396 . 1 1 44 44 LEU HD13 H 1 0.857 0.030 . 1 . . . . 44 LEU HD1 . 10332 1 397 . 1 1 44 44 LEU HD21 H 1 0.369 0.030 . 1 . . . . 44 LEU HD2 . 10332 1 398 . 1 1 44 44 LEU HD22 H 1 0.369 0.030 . 1 . . . . 44 LEU HD2 . 10332 1 399 . 1 1 44 44 LEU HD23 H 1 0.369 0.030 . 1 . . . . 44 LEU HD2 . 10332 1 400 . 1 1 44 44 LEU HG H 1 1.300 0.030 . 1 . . . . 44 LEU HG . 10332 1 401 . 1 1 44 44 LEU C C 13 175.861 0.300 . 1 . . . . 44 LEU C . 10332 1 402 . 1 1 44 44 LEU CA C 13 54.079 0.300 . 1 . . . . 44 LEU CA . 10332 1 403 . 1 1 44 44 LEU CB C 13 44.148 0.300 . 1 . . . . 44 LEU CB . 10332 1 404 . 1 1 44 44 LEU CD1 C 13 24.748 0.300 . 2 . . . . 44 LEU CD1 . 10332 1 405 . 1 1 44 44 LEU CD2 C 13 25.624 0.300 . 2 . . . . 44 LEU CD2 . 10332 1 406 . 1 1 44 44 LEU CG C 13 27.140 0.300 . 1 . . . . 44 LEU CG . 10332 1 407 . 1 1 44 44 LEU N N 15 125.732 0.300 . 1 . . . . 44 LEU N . 10332 1 408 . 1 1 45 45 SER H H 1 8.818 0.030 . 1 . . . . 45 SER H . 10332 1 409 . 1 1 45 45 SER HA H 1 4.775 0.030 . 1 . . . . 45 SER HA . 10332 1 410 . 1 1 45 45 SER HB2 H 1 3.608 0.030 . 1 . . . . 45 SER HB2 . 10332 1 411 . 1 1 45 45 SER HB3 H 1 3.608 0.030 . 1 . . . . 45 SER HB3 . 10332 1 412 . 1 1 45 45 SER C C 13 172.920 0.300 . 1 . . . . 45 SER C . 10332 1 413 . 1 1 45 45 SER CA C 13 56.633 0.300 . 1 . . . . 45 SER CA . 10332 1 414 . 1 1 45 45 SER CB C 13 64.529 0.300 . 1 . . . . 45 SER CB . 10332 1 415 . 1 1 45 45 SER N N 15 121.862 0.300 . 1 . . . . 45 SER N . 10332 1 416 . 1 1 46 46 VAL H H 1 8.461 0.030 . 1 . . . . 46 VAL H . 10332 1 417 . 1 1 46 46 VAL HA H 1 5.159 0.030 . 1 . . . . 46 VAL HA . 10332 1 418 . 1 1 46 46 VAL HB H 1 1.864 0.030 . 1 . . . . 46 VAL HB . 10332 1 419 . 1 1 46 46 VAL HG11 H 1 0.861 0.030 . 1 . . . . 46 VAL HG1 . 10332 1 420 . 1 1 46 46 VAL HG12 H 1 0.861 0.030 . 1 . . . . 46 VAL HG1 . 10332 1 421 . 1 1 46 46 VAL HG13 H 1 0.861 0.030 . 1 . . . . 46 VAL HG1 . 10332 1 422 . 1 1 46 46 VAL HG21 H 1 0.914 0.030 . 1 . . . . 46 VAL HG2 . 10332 1 423 . 1 1 46 46 VAL HG22 H 1 0.914 0.030 . 1 . . . . 46 VAL HG2 . 10332 1 424 . 1 1 46 46 VAL HG23 H 1 0.914 0.030 . 1 . . . . 46 VAL HG2 . 10332 1 425 . 1 1 46 46 VAL C C 13 174.687 0.300 . 1 . . . . 46 VAL C . 10332 1 426 . 1 1 46 46 VAL CA C 13 60.689 0.300 . 1 . . . . 46 VAL CA . 10332 1 427 . 1 1 46 46 VAL CB C 13 34.248 0.300 . 1 . . . . 46 VAL CB . 10332 1 428 . 1 1 46 46 VAL CG1 C 13 21.526 0.300 . 2 . . . . 46 VAL CG1 . 10332 1 429 . 1 1 46 46 VAL CG2 C 13 21.104 0.300 . 2 . . . . 46 VAL CG2 . 10332 1 430 . 1 1 46 46 VAL N N 15 127.401 0.300 . 1 . . . . 46 VAL N . 10332 1 431 . 1 1 47 47 THR H H 1 8.879 0.030 . 1 . . . . 47 THR H . 10332 1 432 . 1 1 47 47 THR HA H 1 4.547 0.030 . 1 . . . . 47 THR HA . 10332 1 433 . 1 1 47 47 THR HB H 1 4.112 0.030 . 1 . . . . 47 THR HB . 10332 1 434 . 1 1 47 47 THR HG21 H 1 1.115 0.030 . 1 . . . . 47 THR HG2 . 10332 1 435 . 1 1 47 47 THR HG22 H 1 1.115 0.030 . 1 . . . . 47 THR HG2 . 10332 1 436 . 1 1 47 47 THR HG23 H 1 1.115 0.030 . 1 . . . . 47 THR HG2 . 10332 1 437 . 1 1 47 47 THR C C 13 172.738 0.300 . 1 . . . . 47 THR C . 10332 1 438 . 1 1 47 47 THR CA C 13 60.214 0.300 . 1 . . . . 47 THR CA . 10332 1 439 . 1 1 47 47 THR CB C 13 71.834 0.300 . 1 . . . . 47 THR CB . 10332 1 440 . 1 1 47 47 THR CG2 C 13 21.557 0.300 . 1 . . . . 47 THR CG2 . 10332 1 441 . 1 1 47 47 THR N N 15 119.144 0.300 . 1 . . . . 47 THR N . 10332 1 442 . 1 1 48 48 ILE H H 1 8.679 0.030 . 1 . . . . 48 ILE H . 10332 1 443 . 1 1 48 48 ILE HA H 1 5.026 0.030 . 1 . . . . 48 ILE HA . 10332 1 444 . 1 1 48 48 ILE HB H 1 1.429 0.030 . 1 . . . . 48 ILE HB . 10332 1 445 . 1 1 48 48 ILE HD11 H 1 -0.032 0.030 . 1 . . . . 48 ILE HD1 . 10332 1 446 . 1 1 48 48 ILE HD12 H 1 -0.032 0.030 . 1 . . . . 48 ILE HD1 . 10332 1 447 . 1 1 48 48 ILE HD13 H 1 -0.032 0.030 . 1 . . . . 48 ILE HD1 . 10332 1 448 . 1 1 48 48 ILE HG12 H 1 1.308 0.030 . 2 . . . . 48 ILE HG12 . 10332 1 449 . 1 1 48 48 ILE HG13 H 1 0.815 0.030 . 2 . . . . 48 ILE HG13 . 10332 1 450 . 1 1 48 48 ILE HG21 H 1 0.576 0.030 . 1 . . . . 48 ILE HG2 . 10332 1 451 . 1 1 48 48 ILE HG22 H 1 0.576 0.030 . 1 . . . . 48 ILE HG2 . 10332 1 452 . 1 1 48 48 ILE HG23 H 1 0.576 0.030 . 1 . . . . 48 ILE HG2 . 10332 1 453 . 1 1 48 48 ILE C C 13 173.944 0.300 . 1 . . . . 48 ILE C . 10332 1 454 . 1 1 48 48 ILE CA C 13 60.787 0.300 . 1 . . . . 48 ILE CA . 10332 1 455 . 1 1 48 48 ILE CB C 13 40.072 0.300 . 1 . . . . 48 ILE CB . 10332 1 456 . 1 1 48 48 ILE CD1 C 13 13.202 0.300 . 1 . . . . 48 ILE CD1 . 10332 1 457 . 1 1 48 48 ILE CG1 C 13 27.488 0.300 . 1 . . . . 48 ILE CG1 . 10332 1 458 . 1 1 48 48 ILE CG2 C 13 16.959 0.300 . 1 . . . . 48 ILE CG2 . 10332 1 459 . 1 1 48 48 ILE N N 15 122.275 0.300 . 1 . . . . 48 ILE N . 10332 1 460 . 1 1 49 49 ASP H H 1 8.794 0.030 . 1 . . . . 49 ASP H . 10332 1 461 . 1 1 49 49 ASP HA H 1 5.229 0.030 . 1 . . . . 49 ASP HA . 10332 1 462 . 1 1 49 49 ASP HB2 H 1 2.681 0.030 . 2 . . . . 49 ASP HB2 . 10332 1 463 . 1 1 49 49 ASP HB3 H 1 2.514 0.030 . 2 . . . . 49 ASP HB3 . 10332 1 464 . 1 1 49 49 ASP C C 13 175.002 0.300 . 1 . . . . 49 ASP C . 10332 1 465 . 1 1 49 49 ASP CA C 13 52.827 0.300 . 1 . . . . 49 ASP CA . 10332 1 466 . 1 1 49 49 ASP CB C 13 44.807 0.300 . 1 . . . . 49 ASP CB . 10332 1 467 . 1 1 49 49 ASP N N 15 127.630 0.300 . 1 . . . . 49 ASP N . 10332 1 468 . 1 1 50 50 GLY H H 1 8.488 0.030 . 1 . . . . 50 GLY H . 10332 1 469 . 1 1 50 50 GLY HA2 H 1 3.596 0.030 . 2 . . . . 50 GLY HA2 . 10332 1 470 . 1 1 50 50 GLY HA3 H 1 3.900 0.030 . 2 . . . . 50 GLY HA3 . 10332 1 471 . 1 1 50 50 GLY C C 13 171.719 0.300 . 1 . . . . 50 GLY C . 10332 1 472 . 1 1 50 50 GLY CA C 13 45.671 0.300 . 1 . . . . 50 GLY CA . 10332 1 473 . 1 1 50 50 GLY N N 15 110.917 0.300 . 1 . . . . 50 GLY N . 10332 1 474 . 1 1 51 51 PRO HA H 1 4.319 0.030 . 1 . . . . 51 PRO HA . 10332 1 475 . 1 1 51 51 PRO HB2 H 1 2.225 0.030 . 2 . . . . 51 PRO HB2 . 10332 1 476 . 1 1 51 51 PRO HB3 H 1 1.862 0.030 . 2 . . . . 51 PRO HB3 . 10332 1 477 . 1 1 51 51 PRO HD2 H 1 2.939 0.030 . 2 . . . . 51 PRO HD2 . 10332 1 478 . 1 1 51 51 PRO HD3 H 1 1.781 0.030 . 2 . . . . 51 PRO HD3 . 10332 1 479 . 1 1 51 51 PRO HG2 H 1 1.559 0.030 . 2 . . . . 51 PRO HG2 . 10332 1 480 . 1 1 51 51 PRO HG3 H 1 1.799 0.030 . 2 . . . . 51 PRO HG3 . 10332 1 481 . 1 1 51 51 PRO C C 13 176.050 0.300 . 1 . . . . 51 PRO C . 10332 1 482 . 1 1 51 51 PRO CA C 13 64.112 0.300 . 1 . . . . 51 PRO CA . 10332 1 483 . 1 1 51 51 PRO CB C 13 32.175 0.300 . 1 . . . . 51 PRO CB . 10332 1 484 . 1 1 51 51 PRO CD C 13 49.342 0.300 . 1 . . . . 51 PRO CD . 10332 1 485 . 1 1 51 51 PRO CG C 13 26.795 0.300 . 1 . . . . 51 PRO CG . 10332 1 486 . 1 1 52 52 SER H H 1 7.120 0.030 . 1 . . . . 52 SER H . 10332 1 487 . 1 1 52 52 SER HA H 1 4.625 0.030 . 1 . . . . 52 SER HA . 10332 1 488 . 1 1 52 52 SER HB2 H 1 3.817 0.030 . 1 . . . . 52 SER HB2 . 10332 1 489 . 1 1 52 52 SER HB3 H 1 3.817 0.030 . 1 . . . . 52 SER HB3 . 10332 1 490 . 1 1 52 52 SER C C 13 172.850 0.300 . 1 . . . . 52 SER C . 10332 1 491 . 1 1 52 52 SER CA C 13 57.045 0.300 . 1 . . . . 52 SER CA . 10332 1 492 . 1 1 52 52 SER CB C 13 66.342 0.300 . 1 . . . . 52 SER CB . 10332 1 493 . 1 1 52 52 SER N N 15 109.669 0.300 . 1 . . . . 52 SER N . 10332 1 494 . 1 1 53 53 LYS H H 1 8.546 0.030 . 1 . . . . 53 LYS H . 10332 1 495 . 1 1 53 53 LYS HA H 1 4.455 0.030 . 1 . . . . 53 LYS HA . 10332 1 496 . 1 1 53 53 LYS HB2 H 1 1.835 0.030 . 1 . . . . 53 LYS HB2 . 10332 1 497 . 1 1 53 53 LYS HB3 H 1 1.835 0.030 . 1 . . . . 53 LYS HB3 . 10332 1 498 . 1 1 53 53 LYS HD2 H 1 1.744 0.030 . 1 . . . . 53 LYS HD2 . 10332 1 499 . 1 1 53 53 LYS HD3 H 1 1.744 0.030 . 1 . . . . 53 LYS HD3 . 10332 1 500 . 1 1 53 53 LYS HE2 H 1 3.036 0.030 . 1 . . . . 53 LYS HE2 . 10332 1 501 . 1 1 53 53 LYS HE3 H 1 3.036 0.030 . 1 . . . . 53 LYS HE3 . 10332 1 502 . 1 1 53 53 LYS HG2 H 1 1.519 0.030 . 2 . . . . 53 LYS HG2 . 10332 1 503 . 1 1 53 53 LYS HG3 H 1 1.449 0.030 . 2 . . . . 53 LYS HG3 . 10332 1 504 . 1 1 53 53 LYS C C 13 176.857 0.300 . 1 . . . . 53 LYS C . 10332 1 505 . 1 1 53 53 LYS CA C 13 56.440 0.300 . 1 . . . . 53 LYS CA . 10332 1 506 . 1 1 53 53 LYS CB C 13 32.107 0.300 . 1 . . . . 53 LYS CB . 10332 1 507 . 1 1 53 53 LYS CD C 13 29.198 0.300 . 1 . . . . 53 LYS CD . 10332 1 508 . 1 1 53 53 LYS CE C 13 42.216 0.300 . 1 . . . . 53 LYS CE . 10332 1 509 . 1 1 53 53 LYS CG C 13 24.830 0.300 . 1 . . . . 53 LYS CG . 10332 1 510 . 1 1 53 53 LYS N N 15 122.760 0.300 . 1 . . . . 53 LYS N . 10332 1 511 . 1 1 54 54 VAL H H 1 8.487 0.030 . 1 . . . . 54 VAL H . 10332 1 512 . 1 1 54 54 VAL HA H 1 4.505 0.030 . 1 . . . . 54 VAL HA . 10332 1 513 . 1 1 54 54 VAL HB H 1 2.012 0.030 . 1 . . . . 54 VAL HB . 10332 1 514 . 1 1 54 54 VAL HG11 H 1 0.893 0.030 . 1 . . . . 54 VAL HG1 . 10332 1 515 . 1 1 54 54 VAL HG12 H 1 0.893 0.030 . 1 . . . . 54 VAL HG1 . 10332 1 516 . 1 1 54 54 VAL HG13 H 1 0.893 0.030 . 1 . . . . 54 VAL HG1 . 10332 1 517 . 1 1 54 54 VAL HG21 H 1 0.828 0.030 . 1 . . . . 54 VAL HG2 . 10332 1 518 . 1 1 54 54 VAL HG22 H 1 0.828 0.030 . 1 . . . . 54 VAL HG2 . 10332 1 519 . 1 1 54 54 VAL HG23 H 1 0.828 0.030 . 1 . . . . 54 VAL HG2 . 10332 1 520 . 1 1 54 54 VAL C C 13 175.253 0.300 . 1 . . . . 54 VAL C . 10332 1 521 . 1 1 54 54 VAL CA C 13 60.299 0.300 . 1 . . . . 54 VAL CA . 10332 1 522 . 1 1 54 54 VAL CB C 13 33.784 0.300 . 1 . . . . 54 VAL CB . 10332 1 523 . 1 1 54 54 VAL CG1 C 13 22.770 0.300 . 2 . . . . 54 VAL CG1 . 10332 1 524 . 1 1 54 54 VAL CG2 C 13 20.795 0.300 . 2 . . . . 54 VAL CG2 . 10332 1 525 . 1 1 54 54 VAL N N 15 121.470 0.300 . 1 . . . . 54 VAL N . 10332 1 526 . 1 1 55 55 GLN H H 1 8.374 0.030 . 1 . . . . 55 GLN H . 10332 1 527 . 1 1 55 55 GLN HA H 1 4.494 0.030 . 1 . . . . 55 GLN HA . 10332 1 528 . 1 1 55 55 GLN HB2 H 1 2.001 0.030 . 2 . . . . 55 GLN HB2 . 10332 1 529 . 1 1 55 55 GLN HB3 H 1 2.051 0.030 . 2 . . . . 55 GLN HB3 . 10332 1 530 . 1 1 55 55 GLN HE21 H 1 6.826 0.030 . 2 . . . . 55 GLN HE21 . 10332 1 531 . 1 1 55 55 GLN HE22 H 1 7.642 0.030 . 2 . . . . 55 GLN HE22 . 10332 1 532 . 1 1 55 55 GLN HG2 H 1 2.341 0.030 . 1 . . . . 55 GLN HG2 . 10332 1 533 . 1 1 55 55 GLN HG3 H 1 2.341 0.030 . 1 . . . . 55 GLN HG3 . 10332 1 534 . 1 1 55 55 GLN C C 13 174.894 0.300 . 1 . . . . 55 GLN C . 10332 1 535 . 1 1 55 55 GLN CA C 13 55.233 0.300 . 1 . . . . 55 GLN CA . 10332 1 536 . 1 1 55 55 GLN CB C 13 29.204 0.300 . 1 . . . . 55 GLN CB . 10332 1 537 . 1 1 55 55 GLN CG C 13 33.737 0.300 . 1 . . . . 55 GLN CG . 10332 1 538 . 1 1 55 55 GLN N N 15 124.510 0.300 . 1 . . . . 55 GLN N . 10332 1 539 . 1 1 55 55 GLN NE2 N 15 112.750 0.300 . 1 . . . . 55 GLN NE2 . 10332 1 540 . 1 1 56 56 LEU H H 1 8.606 0.030 . 1 . . . . 56 LEU H . 10332 1 541 . 1 1 56 56 LEU HA H 1 5.066 0.030 . 1 . . . . 56 LEU HA . 10332 1 542 . 1 1 56 56 LEU HB2 H 1 1.503 0.030 . 1 . . . . 56 LEU HB2 . 10332 1 543 . 1 1 56 56 LEU HB3 H 1 1.503 0.030 . 1 . . . . 56 LEU HB3 . 10332 1 544 . 1 1 56 56 LEU HD11 H 1 0.695 0.030 . 1 . . . . 56 LEU HD1 . 10332 1 545 . 1 1 56 56 LEU HD12 H 1 0.695 0.030 . 1 . . . . 56 LEU HD1 . 10332 1 546 . 1 1 56 56 LEU HD13 H 1 0.695 0.030 . 1 . . . . 56 LEU HD1 . 10332 1 547 . 1 1 56 56 LEU HD21 H 1 0.695 0.030 . 1 . . . . 56 LEU HD2 . 10332 1 548 . 1 1 56 56 LEU HD22 H 1 0.695 0.030 . 1 . . . . 56 LEU HD2 . 10332 1 549 . 1 1 56 56 LEU HD23 H 1 0.695 0.030 . 1 . . . . 56 LEU HD2 . 10332 1 550 . 1 1 56 56 LEU HG H 1 1.559 0.030 . 1 . . . . 56 LEU HG . 10332 1 551 . 1 1 56 56 LEU C C 13 175.049 0.300 . 1 . . . . 56 LEU C . 10332 1 552 . 1 1 56 56 LEU CA C 13 54.561 0.300 . 1 . . . . 56 LEU CA . 10332 1 553 . 1 1 56 56 LEU CB C 13 45.451 0.300 . 1 . . . . 56 LEU CB . 10332 1 554 . 1 1 56 56 LEU CD1 C 13 26.032 0.300 . 1 . . . . 56 LEU CD1 . 10332 1 555 . 1 1 56 56 LEU CD2 C 13 26.032 0.300 . 1 . . . . 56 LEU CD2 . 10332 1 556 . 1 1 56 56 LEU CG C 13 27.001 0.300 . 1 . . . . 56 LEU CG . 10332 1 557 . 1 1 56 56 LEU N N 15 126.873 0.300 . 1 . . . . 56 LEU N . 10332 1 558 . 1 1 57 57 ASP H H 1 8.935 0.030 . 1 . . . . 57 ASP H . 10332 1 559 . 1 1 57 57 ASP HA H 1 4.955 0.030 . 1 . . . . 57 ASP HA . 10332 1 560 . 1 1 57 57 ASP HB2 H 1 2.619 0.030 . 2 . . . . 57 ASP HB2 . 10332 1 561 . 1 1 57 57 ASP HB3 H 1 2.478 0.030 . 2 . . . . 57 ASP HB3 . 10332 1 562 . 1 1 57 57 ASP C C 13 173.871 0.300 . 1 . . . . 57 ASP C . 10332 1 563 . 1 1 57 57 ASP CA C 13 53.460 0.300 . 1 . . . . 57 ASP CA . 10332 1 564 . 1 1 57 57 ASP CB C 13 44.625 0.300 . 1 . . . . 57 ASP CB . 10332 1 565 . 1 1 57 57 ASP N N 15 123.973 0.300 . 1 . . . . 57 ASP N . 10332 1 566 . 1 1 58 58 CYS H H 1 8.540 0.030 . 1 . . . . 58 CYS H . 10332 1 567 . 1 1 58 58 CYS HA H 1 5.282 0.030 . 1 . . . . 58 CYS HA . 10332 1 568 . 1 1 58 58 CYS HB2 H 1 2.812 0.030 . 2 . . . . 58 CYS HB2 . 10332 1 569 . 1 1 58 58 CYS HB3 H 1 2.612 0.030 . 2 . . . . 58 CYS HB3 . 10332 1 570 . 1 1 58 58 CYS C C 13 173.509 0.300 . 1 . . . . 58 CYS C . 10332 1 571 . 1 1 58 58 CYS CA C 13 57.048 0.300 . 1 . . . . 58 CYS CA . 10332 1 572 . 1 1 58 58 CYS CB C 13 28.709 0.300 . 1 . . . . 58 CYS CB . 10332 1 573 . 1 1 58 58 CYS N N 15 122.684 0.300 . 1 . . . . 58 CYS N . 10332 1 574 . 1 1 59 59 ARG H H 1 8.970 0.030 . 1 . . . . 59 ARG H . 10332 1 575 . 1 1 59 59 ARG HA H 1 4.931 0.030 . 1 . . . . 59 ARG HA . 10332 1 576 . 1 1 59 59 ARG HB2 H 1 1.897 0.030 . 2 . . . . 59 ARG HB2 . 10332 1 577 . 1 1 59 59 ARG HB3 H 1 1.746 0.030 . 2 . . . . 59 ARG HB3 . 10332 1 578 . 1 1 59 59 ARG HD2 H 1 3.129 0.030 . 2 . . . . 59 ARG HD2 . 10332 1 579 . 1 1 59 59 ARG HD3 H 1 3.185 0.030 . 2 . . . . 59 ARG HD3 . 10332 1 580 . 1 1 59 59 ARG HG2 H 1 1.489 0.030 . 2 . . . . 59 ARG HG2 . 10332 1 581 . 1 1 59 59 ARG HG3 H 1 1.653 0.030 . 2 . . . . 59 ARG HG3 . 10332 1 582 . 1 1 59 59 ARG C C 13 174.735 0.300 . 1 . . . . 59 ARG C . 10332 1 583 . 1 1 59 59 ARG CA C 13 54.300 0.300 . 1 . . . . 59 ARG CA . 10332 1 584 . 1 1 59 59 ARG CB C 13 33.563 0.300 . 1 . . . . 59 ARG CB . 10332 1 585 . 1 1 59 59 ARG CD C 13 43.420 0.300 . 1 . . . . 59 ARG CD . 10332 1 586 . 1 1 59 59 ARG CG C 13 26.815 0.300 . 1 . . . . 59 ARG CG . 10332 1 587 . 1 1 59 59 ARG N N 15 125.463 0.300 . 1 . . . . 59 ARG N . 10332 1 588 . 1 1 60 60 GLU H H 1 8.698 0.030 . 1 . . . . 60 GLU H . 10332 1 589 . 1 1 60 60 GLU HA H 1 4.388 0.030 . 1 . . . . 60 GLU HA . 10332 1 590 . 1 1 60 60 GLU HB2 H 1 1.909 0.030 . 1 . . . . 60 GLU HB2 . 10332 1 591 . 1 1 60 60 GLU HB3 H 1 1.909 0.030 . 1 . . . . 60 GLU HB3 . 10332 1 592 . 1 1 60 60 GLU HG2 H 1 2.106 0.030 . 2 . . . . 60 GLU HG2 . 10332 1 593 . 1 1 60 60 GLU HG3 H 1 2.277 0.030 . 2 . . . . 60 GLU HG3 . 10332 1 594 . 1 1 60 60 GLU C C 13 175.726 0.300 . 1 . . . . 60 GLU C . 10332 1 595 . 1 1 60 60 GLU CA C 13 57.252 0.300 . 1 . . . . 60 GLU CA . 10332 1 596 . 1 1 60 60 GLU CB C 13 30.636 0.300 . 1 . . . . 60 GLU CB . 10332 1 597 . 1 1 60 60 GLU CG C 13 37.193 0.300 . 1 . . . . 60 GLU CG . 10332 1 598 . 1 1 60 60 GLU N N 15 121.447 0.300 . 1 . . . . 60 GLU N . 10332 1 599 . 1 1 61 61 CYS H H 1 8.307 0.030 . 1 . . . . 61 CYS H . 10332 1 600 . 1 1 61 61 CYS HA H 1 5.022 0.030 . 1 . . . . 61 CYS HA . 10332 1 601 . 1 1 61 61 CYS HB2 H 1 2.813 0.030 . 2 . . . . 61 CYS HB2 . 10332 1 602 . 1 1 61 61 CYS HB3 H 1 3.255 0.030 . 2 . . . . 61 CYS HB3 . 10332 1 603 . 1 1 61 61 CYS C C 13 173.249 0.300 . 1 . . . . 61 CYS C . 10332 1 604 . 1 1 61 61 CYS CA C 13 55.866 0.300 . 1 . . . . 61 CYS CA . 10332 1 605 . 1 1 61 61 CYS CB C 13 28.899 0.300 . 1 . . . . 61 CYS CB . 10332 1 606 . 1 1 61 61 CYS N N 15 118.695 0.300 . 1 . . . . 61 CYS N . 10332 1 607 . 1 1 62 62 PRO HA H 1 4.177 0.030 . 1 . . . . 62 PRO HA . 10332 1 608 . 1 1 62 62 PRO HB2 H 1 2.359 0.030 . 2 . . . . 62 PRO HB2 . 10332 1 609 . 1 1 62 62 PRO HB3 H 1 1.834 0.030 . 2 . . . . 62 PRO HB3 . 10332 1 610 . 1 1 62 62 PRO HD2 H 1 3.678 0.030 . 2 . . . . 62 PRO HD2 . 10332 1 611 . 1 1 62 62 PRO HD3 H 1 3.775 0.030 . 2 . . . . 62 PRO HD3 . 10332 1 612 . 1 1 62 62 PRO HG2 H 1 2.159 0.030 . 2 . . . . 62 PRO HG2 . 10332 1 613 . 1 1 62 62 PRO HG3 H 1 1.925 0.030 . 2 . . . . 62 PRO HG3 . 10332 1 614 . 1 1 62 62 PRO C C 13 177.914 0.300 . 1 . . . . 62 PRO C . 10332 1 615 . 1 1 62 62 PRO CA C 13 66.580 0.300 . 1 . . . . 62 PRO CA . 10332 1 616 . 1 1 62 62 PRO CB C 13 31.639 0.300 . 1 . . . . 62 PRO CB . 10332 1 617 . 1 1 62 62 PRO CD C 13 50.614 0.300 . 1 . . . . 62 PRO CD . 10332 1 618 . 1 1 62 62 PRO CG C 13 28.193 0.300 . 1 . . . . 62 PRO CG . 10332 1 619 . 1 1 63 63 GLU H H 1 8.519 0.030 . 1 . . . . 63 GLU H . 10332 1 620 . 1 1 63 63 GLU HA H 1 4.230 0.030 . 1 . . . . 63 GLU HA . 10332 1 621 . 1 1 63 63 GLU HB2 H 1 1.935 0.030 . 2 . . . . 63 GLU HB2 . 10332 1 622 . 1 1 63 63 GLU HB3 H 1 2.100 0.030 . 2 . . . . 63 GLU HB3 . 10332 1 623 . 1 1 63 63 GLU HG2 H 1 2.198 0.030 . 2 . . . . 63 GLU HG2 . 10332 1 624 . 1 1 63 63 GLU HG3 H 1 2.306 0.030 . 2 . . . . 63 GLU HG3 . 10332 1 625 . 1 1 63 63 GLU C C 13 174.314 0.300 . 1 . . . . 63 GLU C . 10332 1 626 . 1 1 63 63 GLU CA C 13 57.560 0.300 . 1 . . . . 63 GLU CA . 10332 1 627 . 1 1 63 63 GLU CB C 13 30.145 0.300 . 1 . . . . 63 GLU CB . 10332 1 628 . 1 1 63 63 GLU CG C 13 37.238 0.300 . 1 . . . . 63 GLU CG . 10332 1 629 . 1 1 63 63 GLU N N 15 114.171 0.300 . 1 . . . . 63 GLU N . 10332 1 630 . 1 1 64 64 GLY H H 1 7.526 0.030 . 1 . . . . 64 GLY H . 10332 1 631 . 1 1 64 64 GLY HA2 H 1 4.965 0.030 . 2 . . . . 64 GLY HA2 . 10332 1 632 . 1 1 64 64 GLY HA3 H 1 3.348 0.030 . 2 . . . . 64 GLY HA3 . 10332 1 633 . 1 1 64 64 GLY C C 13 172.756 0.300 . 1 . . . . 64 GLY C . 10332 1 634 . 1 1 64 64 GLY CA C 13 47.349 0.300 . 1 . . . . 64 GLY CA . 10332 1 635 . 1 1 64 64 GLY N N 15 108.086 0.300 . 1 . . . . 64 GLY N . 10332 1 636 . 1 1 65 65 HIS H H 1 8.929 0.030 . 1 . . . . 65 HIS H . 10332 1 637 . 1 1 65 65 HIS HA H 1 5.262 0.030 . 1 . . . . 65 HIS HA . 10332 1 638 . 1 1 65 65 HIS HB2 H 1 2.826 0.030 . 2 . . . . 65 HIS HB2 . 10332 1 639 . 1 1 65 65 HIS HB3 H 1 2.415 0.030 . 2 . . . . 65 HIS HB3 . 10332 1 640 . 1 1 65 65 HIS HD2 H 1 6.583 0.030 . 1 . . . . 65 HIS HD2 . 10332 1 641 . 1 1 65 65 HIS HE1 H 1 7.797 0.030 . 1 . . . . 65 HIS HE1 . 10332 1 642 . 1 1 65 65 HIS C C 13 173.104 0.300 . 1 . . . . 65 HIS C . 10332 1 643 . 1 1 65 65 HIS CA C 13 55.673 0.300 . 1 . . . . 65 HIS CA . 10332 1 644 . 1 1 65 65 HIS CB C 13 34.703 0.300 . 1 . . . . 65 HIS CB . 10332 1 645 . 1 1 65 65 HIS CD2 C 13 120.357 0.300 . 1 . . . . 65 HIS CD2 . 10332 1 646 . 1 1 65 65 HIS CE1 C 13 138.653 0.300 . 1 . . . . 65 HIS CE1 . 10332 1 647 . 1 1 65 65 HIS N N 15 125.534 0.300 . 1 . . . . 65 HIS N . 10332 1 648 . 1 1 66 66 VAL H H 1 9.465 0.030 . 1 . . . . 66 VAL H . 10332 1 649 . 1 1 66 66 VAL HA H 1 4.723 0.030 . 1 . . . . 66 VAL HA . 10332 1 650 . 1 1 66 66 VAL HB H 1 1.915 0.030 . 1 . . . . 66 VAL HB . 10332 1 651 . 1 1 66 66 VAL HG11 H 1 0.805 0.030 . 1 . . . . 66 VAL HG1 . 10332 1 652 . 1 1 66 66 VAL HG12 H 1 0.805 0.030 . 1 . . . . 66 VAL HG1 . 10332 1 653 . 1 1 66 66 VAL HG13 H 1 0.805 0.030 . 1 . . . . 66 VAL HG1 . 10332 1 654 . 1 1 66 66 VAL HG21 H 1 0.782 0.030 . 1 . . . . 66 VAL HG2 . 10332 1 655 . 1 1 66 66 VAL HG22 H 1 0.782 0.030 . 1 . . . . 66 VAL HG2 . 10332 1 656 . 1 1 66 66 VAL HG23 H 1 0.782 0.030 . 1 . . . . 66 VAL HG2 . 10332 1 657 . 1 1 66 66 VAL C C 13 174.373 0.300 . 1 . . . . 66 VAL C . 10332 1 658 . 1 1 66 66 VAL CA C 13 59.805 0.300 . 1 . . . . 66 VAL CA . 10332 1 659 . 1 1 66 66 VAL CB C 13 33.695 0.300 . 1 . . . . 66 VAL CB . 10332 1 660 . 1 1 66 66 VAL CG1 C 13 21.448 0.300 . 2 . . . . 66 VAL CG1 . 10332 1 661 . 1 1 66 66 VAL CG2 C 13 20.177 0.300 . 2 . . . . 66 VAL CG2 . 10332 1 662 . 1 1 66 66 VAL N N 15 121.937 0.300 . 1 . . . . 66 VAL N . 10332 1 663 . 1 1 67 67 VAL H H 1 8.841 0.030 . 1 . . . . 67 VAL H . 10332 1 664 . 1 1 67 67 VAL HA H 1 4.684 0.030 . 1 . . . . 67 VAL HA . 10332 1 665 . 1 1 67 67 VAL HB H 1 0.012 0.030 . 1 . . . . 67 VAL HB . 10332 1 666 . 1 1 67 67 VAL HG11 H 1 0.546 0.030 . 1 . . . . 67 VAL HG1 . 10332 1 667 . 1 1 67 67 VAL HG12 H 1 0.546 0.030 . 1 . . . . 67 VAL HG1 . 10332 1 668 . 1 1 67 67 VAL HG13 H 1 0.546 0.030 . 1 . . . . 67 VAL HG1 . 10332 1 669 . 1 1 67 67 VAL HG21 H 1 0.529 0.030 . 1 . . . . 67 VAL HG2 . 10332 1 670 . 1 1 67 67 VAL HG22 H 1 0.529 0.030 . 1 . . . . 67 VAL HG2 . 10332 1 671 . 1 1 67 67 VAL HG23 H 1 0.529 0.030 . 1 . . . . 67 VAL HG2 . 10332 1 672 . 1 1 67 67 VAL C C 13 174.038 0.300 . 1 . . . . 67 VAL C . 10332 1 673 . 1 1 67 67 VAL CA C 13 60.068 0.300 . 1 . . . . 67 VAL CA . 10332 1 674 . 1 1 67 67 VAL CB C 13 32.311 0.300 . 1 . . . . 67 VAL CB . 10332 1 675 . 1 1 67 67 VAL CG1 C 13 22.591 0.300 . 2 . . . . 67 VAL CG1 . 10332 1 676 . 1 1 67 67 VAL CG2 C 13 21.227 0.300 . 2 . . . . 67 VAL CG2 . 10332 1 677 . 1 1 67 67 VAL N N 15 131.136 0.300 . 1 . . . . 67 VAL N . 10332 1 678 . 1 1 68 68 THR H H 1 8.544 0.030 . 1 . . . . 68 THR H . 10332 1 679 . 1 1 68 68 THR HA H 1 5.421 0.030 . 1 . . . . 68 THR HA . 10332 1 680 . 1 1 68 68 THR HB H 1 3.863 0.030 . 1 . . . . 68 THR HB . 10332 1 681 . 1 1 68 68 THR HG21 H 1 1.104 0.030 . 1 . . . . 68 THR HG2 . 10332 1 682 . 1 1 68 68 THR HG22 H 1 1.104 0.030 . 1 . . . . 68 THR HG2 . 10332 1 683 . 1 1 68 68 THR HG23 H 1 1.104 0.030 . 1 . . . . 68 THR HG2 . 10332 1 684 . 1 1 68 68 THR C C 13 173.935 0.300 . 1 . . . . 68 THR C . 10332 1 685 . 1 1 68 68 THR CA C 13 59.535 0.300 . 1 . . . . 68 THR CA . 10332 1 686 . 1 1 68 68 THR CB C 13 71.314 0.300 . 1 . . . . 68 THR CB . 10332 1 687 . 1 1 68 68 THR CG2 C 13 21.781 0.300 . 1 . . . . 68 THR CG2 . 10332 1 688 . 1 1 68 68 THR N N 15 118.289 0.300 . 1 . . . . 68 THR N . 10332 1 689 . 1 1 69 69 TYR H H 1 8.890 0.030 . 1 . . . . 69 TYR H . 10332 1 690 . 1 1 69 69 TYR HA H 1 5.333 0.030 . 1 . . . . 69 TYR HA . 10332 1 691 . 1 1 69 69 TYR HB2 H 1 2.791 0.030 . 2 . . . . 69 TYR HB2 . 10332 1 692 . 1 1 69 69 TYR HB3 H 1 2.592 0.030 . 2 . . . . 69 TYR HB3 . 10332 1 693 . 1 1 69 69 TYR HD1 H 1 6.425 0.030 . 1 . . . . 69 TYR HD1 . 10332 1 694 . 1 1 69 69 TYR HD2 H 1 6.425 0.030 . 1 . . . . 69 TYR HD2 . 10332 1 695 . 1 1 69 69 TYR HE1 H 1 6.130 0.030 . 1 . . . . 69 TYR HE1 . 10332 1 696 . 1 1 69 69 TYR HE2 H 1 6.130 0.030 . 1 . . . . 69 TYR HE2 . 10332 1 697 . 1 1 69 69 TYR C C 13 172.892 0.300 . 1 . . . . 69 TYR C . 10332 1 698 . 1 1 69 69 TYR CA C 13 56.141 0.300 . 1 . . . . 69 TYR CA . 10332 1 699 . 1 1 69 69 TYR CB C 13 41.431 0.300 . 1 . . . . 69 TYR CB . 10332 1 700 . 1 1 69 69 TYR CD1 C 13 132.740 0.300 . 1 . . . . 69 TYR CD1 . 10332 1 701 . 1 1 69 69 TYR CD2 C 13 132.740 0.300 . 1 . . . . 69 TYR CD2 . 10332 1 702 . 1 1 69 69 TYR CE1 C 13 116.219 0.300 . 1 . . . . 69 TYR CE1 . 10332 1 703 . 1 1 69 69 TYR CE2 C 13 116.219 0.300 . 1 . . . . 69 TYR CE2 . 10332 1 704 . 1 1 69 69 TYR N N 15 120.621 0.300 . 1 . . . . 69 TYR N . 10332 1 705 . 1 1 70 70 THR H H 1 8.284 0.030 . 1 . . . . 70 THR H . 10332 1 706 . 1 1 70 70 THR HA H 1 4.895 0.030 . 1 . . . . 70 THR HA . 10332 1 707 . 1 1 70 70 THR HB H 1 3.934 0.030 . 1 . . . . 70 THR HB . 10332 1 708 . 1 1 70 70 THR HG21 H 1 0.775 0.030 . 1 . . . . 70 THR HG2 . 10332 1 709 . 1 1 70 70 THR HG22 H 1 0.775 0.030 . 1 . . . . 70 THR HG2 . 10332 1 710 . 1 1 70 70 THR HG23 H 1 0.775 0.030 . 1 . . . . 70 THR HG2 . 10332 1 711 . 1 1 70 70 THR C C 13 172.618 0.300 . 1 . . . . 70 THR C . 10332 1 712 . 1 1 70 70 THR CA C 13 58.610 0.300 . 1 . . . . 70 THR CA . 10332 1 713 . 1 1 70 70 THR CB C 13 70.189 0.300 . 1 . . . . 70 THR CB . 10332 1 714 . 1 1 70 70 THR CG2 C 13 20.371 0.300 . 1 . . . . 70 THR CG2 . 10332 1 715 . 1 1 70 70 THR N N 15 116.882 0.300 . 1 . . . . 70 THR N . 10332 1 716 . 1 1 71 71 PRO HA H 1 4.486 0.030 . 1 . . . . 71 PRO HA . 10332 1 717 . 1 1 71 71 PRO HB2 H 1 1.692 0.030 . 2 . . . . 71 PRO HB2 . 10332 1 718 . 1 1 71 71 PRO HB3 H 1 1.396 0.030 . 2 . . . . 71 PRO HB3 . 10332 1 719 . 1 1 71 71 PRO HD2 H 1 3.356 0.030 . 2 . . . . 71 PRO HD2 . 10332 1 720 . 1 1 71 71 PRO HD3 H 1 4.290 0.030 . 2 . . . . 71 PRO HD3 . 10332 1 721 . 1 1 71 71 PRO HG2 H 1 2.006 0.030 . 2 . . . . 71 PRO HG2 . 10332 1 722 . 1 1 71 71 PRO HG3 H 1 1.687 0.030 . 2 . . . . 71 PRO HG3 . 10332 1 723 . 1 1 71 71 PRO C C 13 176.649 0.300 . 1 . . . . 71 PRO C . 10332 1 724 . 1 1 71 71 PRO CA C 13 61.656 0.300 . 1 . . . . 71 PRO CA . 10332 1 725 . 1 1 71 71 PRO CB C 13 32.728 0.300 . 1 . . . . 71 PRO CB . 10332 1 726 . 1 1 71 71 PRO CD C 13 50.371 0.300 . 1 . . . . 71 PRO CD . 10332 1 727 . 1 1 71 71 PRO CG C 13 26.889 0.300 . 1 . . . . 71 PRO CG . 10332 1 728 . 1 1 72 72 MET H H 1 8.506 0.030 . 1 . . . . 72 MET H . 10332 1 729 . 1 1 72 72 MET HA H 1 4.814 0.030 . 1 . . . . 72 MET HA . 10332 1 730 . 1 1 72 72 MET HB2 H 1 2.308 0.030 . 2 . . . . 72 MET HB2 . 10332 1 731 . 1 1 72 72 MET HB3 H 1 1.915 0.030 . 2 . . . . 72 MET HB3 . 10332 1 732 . 1 1 72 72 MET HE1 H 1 2.022 0.030 . 1 . . . . 72 MET HE . 10332 1 733 . 1 1 72 72 MET HE2 H 1 2.022 0.030 . 1 . . . . 72 MET HE . 10332 1 734 . 1 1 72 72 MET HE3 H 1 2.022 0.030 . 1 . . . . 72 MET HE . 10332 1 735 . 1 1 72 72 MET HG2 H 1 2.502 0.030 . 2 . . . . 72 MET HG2 . 10332 1 736 . 1 1 72 72 MET HG3 H 1 2.732 0.030 . 2 . . . . 72 MET HG3 . 10332 1 737 . 1 1 72 72 MET C C 13 174.493 0.300 . 1 . . . . 72 MET C . 10332 1 738 . 1 1 72 72 MET CA C 13 53.872 0.300 . 1 . . . . 72 MET CA . 10332 1 739 . 1 1 72 72 MET CB C 13 32.910 0.300 . 1 . . . . 72 MET CB . 10332 1 740 . 1 1 72 72 MET CE C 13 17.368 0.300 . 1 . . . . 72 MET CE . 10332 1 741 . 1 1 72 72 MET CG C 13 32.426 0.300 . 1 . . . . 72 MET CG . 10332 1 742 . 1 1 72 72 MET N N 15 118.220 0.300 . 1 . . . . 72 MET N . 10332 1 743 . 1 1 73 73 ALA H H 1 7.104 0.030 . 1 . . . . 73 ALA H . 10332 1 744 . 1 1 73 73 ALA HA H 1 4.794 0.030 . 1 . . . . 73 ALA HA . 10332 1 745 . 1 1 73 73 ALA HB1 H 1 1.340 0.030 . 1 . . . . 73 ALA HB . 10332 1 746 . 1 1 73 73 ALA HB2 H 1 1.340 0.030 . 1 . . . . 73 ALA HB . 10332 1 747 . 1 1 73 73 ALA HB3 H 1 1.340 0.030 . 1 . . . . 73 ALA HB . 10332 1 748 . 1 1 73 73 ALA C C 13 174.463 0.300 . 1 . . . . 73 ALA C . 10332 1 749 . 1 1 73 73 ALA CA C 13 49.464 0.300 . 1 . . . . 73 ALA CA . 10332 1 750 . 1 1 73 73 ALA CB C 13 20.589 0.300 . 1 . . . . 73 ALA CB . 10332 1 751 . 1 1 73 73 ALA N N 15 119.298 0.300 . 1 . . . . 73 ALA N . 10332 1 752 . 1 1 74 74 PRO HA H 1 4.227 0.030 . 1 . . . . 74 PRO HA . 10332 1 753 . 1 1 74 74 PRO HB2 H 1 2.317 0.030 . 2 . . . . 74 PRO HB2 . 10332 1 754 . 1 1 74 74 PRO HB3 H 1 2.115 0.030 . 2 . . . . 74 PRO HB3 . 10332 1 755 . 1 1 74 74 PRO HD2 H 1 3.675 0.030 . 2 . . . . 74 PRO HD2 . 10332 1 756 . 1 1 74 74 PRO HD3 H 1 3.461 0.030 . 2 . . . . 74 PRO HD3 . 10332 1 757 . 1 1 74 74 PRO HG2 H 1 2.190 0.030 . 2 . . . . 74 PRO HG2 . 10332 1 758 . 1 1 74 74 PRO HG3 H 1 2.004 0.030 . 2 . . . . 74 PRO HG3 . 10332 1 759 . 1 1 74 74 PRO C C 13 174.492 0.300 . 1 . . . . 74 PRO C . 10332 1 760 . 1 1 74 74 PRO CA C 13 62.490 0.300 . 1 . . . . 74 PRO CA . 10332 1 761 . 1 1 74 74 PRO CB C 13 32.591 0.300 . 1 . . . . 74 PRO CB . 10332 1 762 . 1 1 74 74 PRO CD C 13 50.371 0.300 . 1 . . . . 74 PRO CD . 10332 1 763 . 1 1 74 74 PRO CG C 13 26.899 0.300 . 1 . . . . 74 PRO CG . 10332 1 764 . 1 1 75 75 GLY H H 1 8.795 0.030 . 1 . . . . 75 GLY H . 10332 1 765 . 1 1 75 75 GLY HA2 H 1 4.475 0.030 . 2 . . . . 75 GLY HA2 . 10332 1 766 . 1 1 75 75 GLY HA3 H 1 3.740 0.030 . 2 . . . . 75 GLY HA3 . 10332 1 767 . 1 1 75 75 GLY C C 13 171.720 0.300 . 1 . . . . 75 GLY C . 10332 1 768 . 1 1 75 75 GLY CA C 13 44.143 0.300 . 1 . . . . 75 GLY CA . 10332 1 769 . 1 1 75 75 GLY N N 15 105.331 0.300 . 1 . . . . 75 GLY N . 10332 1 770 . 1 1 76 76 ASN H H 1 8.522 0.030 . 1 . . . . 76 ASN H . 10332 1 771 . 1 1 76 76 ASN HA H 1 5.510 0.030 . 1 . . . . 76 ASN HA . 10332 1 772 . 1 1 76 76 ASN HB2 H 1 2.618 0.030 . 2 . . . . 76 ASN HB2 . 10332 1 773 . 1 1 76 76 ASN HB3 H 1 2.448 0.030 . 2 . . . . 76 ASN HB3 . 10332 1 774 . 1 1 76 76 ASN HD21 H 1 6.864 0.030 . 2 . . . . 76 ASN HD21 . 10332 1 775 . 1 1 76 76 ASN HD22 H 1 7.580 0.030 . 2 . . . . 76 ASN HD22 . 10332 1 776 . 1 1 76 76 ASN C C 13 174.372 0.300 . 1 . . . . 76 ASN C . 10332 1 777 . 1 1 76 76 ASN CA C 13 52.403 0.300 . 1 . . . . 76 ASN CA . 10332 1 778 . 1 1 76 76 ASN CB C 13 39.423 0.300 . 1 . . . . 76 ASN CB . 10332 1 779 . 1 1 76 76 ASN N N 15 118.739 0.300 . 1 . . . . 76 ASN N . 10332 1 780 . 1 1 76 76 ASN ND2 N 15 113.604 0.300 . 1 . . . . 76 ASN ND2 . 10332 1 781 . 1 1 77 77 TYR H H 1 9.366 0.030 . 1 . . . . 77 TYR H . 10332 1 782 . 1 1 77 77 TYR HA H 1 4.991 0.030 . 1 . . . . 77 TYR HA . 10332 1 783 . 1 1 77 77 TYR HB2 H 1 2.796 0.030 . 2 . . . . 77 TYR HB2 . 10332 1 784 . 1 1 77 77 TYR HB3 H 1 2.460 0.030 . 2 . . . . 77 TYR HB3 . 10332 1 785 . 1 1 77 77 TYR HD1 H 1 6.998 0.030 . 1 . . . . 77 TYR HD1 . 10332 1 786 . 1 1 77 77 TYR HD2 H 1 6.998 0.030 . 1 . . . . 77 TYR HD2 . 10332 1 787 . 1 1 77 77 TYR HE1 H 1 6.801 0.030 . 1 . . . . 77 TYR HE1 . 10332 1 788 . 1 1 77 77 TYR HE2 H 1 6.801 0.030 . 1 . . . . 77 TYR HE2 . 10332 1 789 . 1 1 77 77 TYR C C 13 174.302 0.300 . 1 . . . . 77 TYR C . 10332 1 790 . 1 1 77 77 TYR CA C 13 56.513 0.300 . 1 . . . . 77 TYR CA . 10332 1 791 . 1 1 77 77 TYR CB C 13 40.061 0.300 . 1 . . . . 77 TYR CB . 10332 1 792 . 1 1 77 77 TYR CD1 C 13 133.769 0.300 . 1 . . . . 77 TYR CD1 . 10332 1 793 . 1 1 77 77 TYR CD2 C 13 133.769 0.300 . 1 . . . . 77 TYR CD2 . 10332 1 794 . 1 1 77 77 TYR CE1 C 13 116.598 0.300 . 1 . . . . 77 TYR CE1 . 10332 1 795 . 1 1 77 77 TYR CE2 C 13 116.598 0.300 . 1 . . . . 77 TYR CE2 . 10332 1 796 . 1 1 77 77 TYR N N 15 123.260 0.300 . 1 . . . . 77 TYR N . 10332 1 797 . 1 1 78 78 LEU H H 1 9.056 0.030 . 1 . . . . 78 LEU H . 10332 1 798 . 1 1 78 78 LEU HA H 1 5.226 0.030 . 1 . . . . 78 LEU HA . 10332 1 799 . 1 1 78 78 LEU HB2 H 1 1.647 0.030 . 2 . . . . 78 LEU HB2 . 10332 1 800 . 1 1 78 78 LEU HB3 H 1 1.487 0.030 . 2 . . . . 78 LEU HB3 . 10332 1 801 . 1 1 78 78 LEU HD11 H 1 0.822 0.030 . 1 . . . . 78 LEU HD1 . 10332 1 802 . 1 1 78 78 LEU HD12 H 1 0.822 0.030 . 1 . . . . 78 LEU HD1 . 10332 1 803 . 1 1 78 78 LEU HD13 H 1 0.822 0.030 . 1 . . . . 78 LEU HD1 . 10332 1 804 . 1 1 78 78 LEU HD21 H 1 0.796 0.030 . 1 . . . . 78 LEU HD2 . 10332 1 805 . 1 1 78 78 LEU HD22 H 1 0.796 0.030 . 1 . . . . 78 LEU HD2 . 10332 1 806 . 1 1 78 78 LEU HD23 H 1 0.796 0.030 . 1 . . . . 78 LEU HD2 . 10332 1 807 . 1 1 78 78 LEU HG H 1 1.518 0.030 . 1 . . . . 78 LEU HG . 10332 1 808 . 1 1 78 78 LEU C C 13 176.525 0.300 . 1 . . . . 78 LEU C . 10332 1 809 . 1 1 78 78 LEU CA C 13 53.337 0.300 . 1 . . . . 78 LEU CA . 10332 1 810 . 1 1 78 78 LEU CB C 13 44.095 0.300 . 1 . . . . 78 LEU CB . 10332 1 811 . 1 1 78 78 LEU CD1 C 13 24.873 0.300 . 2 . . . . 78 LEU CD1 . 10332 1 812 . 1 1 78 78 LEU CD2 C 13 24.346 0.300 . 2 . . . . 78 LEU CD2 . 10332 1 813 . 1 1 78 78 LEU CG C 13 27.435 0.300 . 1 . . . . 78 LEU CG . 10332 1 814 . 1 1 78 78 LEU N N 15 124.640 0.300 . 1 . . . . 78 LEU N . 10332 1 815 . 1 1 79 79 ILE H H 1 9.652 0.030 . 1 . . . . 79 ILE H . 10332 1 816 . 1 1 79 79 ILE HA H 1 4.684 0.030 . 1 . . . . 79 ILE HA . 10332 1 817 . 1 1 79 79 ILE HB H 1 1.840 0.030 . 1 . . . . 79 ILE HB . 10332 1 818 . 1 1 79 79 ILE HD11 H 1 0.616 0.030 . 1 . . . . 79 ILE HD1 . 10332 1 819 . 1 1 79 79 ILE HD12 H 1 0.616 0.030 . 1 . . . . 79 ILE HD1 . 10332 1 820 . 1 1 79 79 ILE HD13 H 1 0.616 0.030 . 1 . . . . 79 ILE HD1 . 10332 1 821 . 1 1 79 79 ILE HG12 H 1 1.417 0.030 . 2 . . . . 79 ILE HG12 . 10332 1 822 . 1 1 79 79 ILE HG13 H 1 0.589 0.030 . 2 . . . . 79 ILE HG13 . 10332 1 823 . 1 1 79 79 ILE HG21 H 1 0.542 0.030 . 1 . . . . 79 ILE HG2 . 10332 1 824 . 1 1 79 79 ILE HG22 H 1 0.542 0.030 . 1 . . . . 79 ILE HG2 . 10332 1 825 . 1 1 79 79 ILE HG23 H 1 0.542 0.030 . 1 . . . . 79 ILE HG2 . 10332 1 826 . 1 1 79 79 ILE C C 13 174.314 0.300 . 1 . . . . 79 ILE C . 10332 1 827 . 1 1 79 79 ILE CA C 13 60.669 0.300 . 1 . . . . 79 ILE CA . 10332 1 828 . 1 1 79 79 ILE CB C 13 39.524 0.300 . 1 . . . . 79 ILE CB . 10332 1 829 . 1 1 79 79 ILE CD1 C 13 15.019 0.300 . 1 . . . . 79 ILE CD1 . 10332 1 830 . 1 1 79 79 ILE CG1 C 13 27.468 0.300 . 1 . . . . 79 ILE CG1 . 10332 1 831 . 1 1 79 79 ILE CG2 C 13 17.011 0.300 . 1 . . . . 79 ILE CG2 . 10332 1 832 . 1 1 79 79 ILE N N 15 128.629 0.300 . 1 . . . . 79 ILE N . 10332 1 833 . 1 1 80 80 ALA H H 1 9.096 0.030 . 1 . . . . 80 ALA H . 10332 1 834 . 1 1 80 80 ALA HA H 1 5.161 0.030 . 1 . . . . 80 ALA HA . 10332 1 835 . 1 1 80 80 ALA HB1 H 1 1.363 0.030 . 1 . . . . 80 ALA HB . 10332 1 836 . 1 1 80 80 ALA HB2 H 1 1.363 0.030 . 1 . . . . 80 ALA HB . 10332 1 837 . 1 1 80 80 ALA HB3 H 1 1.363 0.030 . 1 . . . . 80 ALA HB . 10332 1 838 . 1 1 80 80 ALA C C 13 176.531 0.300 . 1 . . . . 80 ALA C . 10332 1 839 . 1 1 80 80 ALA CA C 13 50.196 0.300 . 1 . . . . 80 ALA CA . 10332 1 840 . 1 1 80 80 ALA CB C 13 20.709 0.300 . 1 . . . . 80 ALA CB . 10332 1 841 . 1 1 80 80 ALA N N 15 130.753 0.300 . 1 . . . . 80 ALA N . 10332 1 842 . 1 1 81 81 ILE H H 1 9.653 0.030 . 1 . . . . 81 ILE H . 10332 1 843 . 1 1 81 81 ILE HA H 1 4.907 0.030 . 1 . . . . 81 ILE HA . 10332 1 844 . 1 1 81 81 ILE HB H 1 1.778 0.030 . 1 . . . . 81 ILE HB . 10332 1 845 . 1 1 81 81 ILE HD11 H 1 0.714 0.030 . 1 . . . . 81 ILE HD1 . 10332 1 846 . 1 1 81 81 ILE HD12 H 1 0.714 0.030 . 1 . . . . 81 ILE HD1 . 10332 1 847 . 1 1 81 81 ILE HD13 H 1 0.714 0.030 . 1 . . . . 81 ILE HD1 . 10332 1 848 . 1 1 81 81 ILE HG12 H 1 1.005 0.030 . 2 . . . . 81 ILE HG12 . 10332 1 849 . 1 1 81 81 ILE HG13 H 1 1.722 0.030 . 2 . . . . 81 ILE HG13 . 10332 1 850 . 1 1 81 81 ILE HG21 H 1 0.870 0.030 . 1 . . . . 81 ILE HG2 . 10332 1 851 . 1 1 81 81 ILE HG22 H 1 0.870 0.030 . 1 . . . . 81 ILE HG2 . 10332 1 852 . 1 1 81 81 ILE HG23 H 1 0.870 0.030 . 1 . . . . 81 ILE HG2 . 10332 1 853 . 1 1 81 81 ILE C C 13 173.301 0.300 . 1 . . . . 81 ILE C . 10332 1 854 . 1 1 81 81 ILE CA C 13 60.938 0.300 . 1 . . . . 81 ILE CA . 10332 1 855 . 1 1 81 81 ILE CB C 13 40.627 0.300 . 1 . . . . 81 ILE CB . 10332 1 856 . 1 1 81 81 ILE CD1 C 13 15.395 0.300 . 1 . . . . 81 ILE CD1 . 10332 1 857 . 1 1 81 81 ILE CG1 C 13 27.331 0.300 . 1 . . . . 81 ILE CG1 . 10332 1 858 . 1 1 81 81 ILE CG2 C 13 18.680 0.300 . 1 . . . . 81 ILE CG2 . 10332 1 859 . 1 1 81 81 ILE N N 15 125.446 0.300 . 1 . . . . 81 ILE N . 10332 1 860 . 1 1 82 82 LYS H H 1 8.776 0.030 . 1 . . . . 82 LYS H . 10332 1 861 . 1 1 82 82 LYS HA H 1 4.974 0.030 . 1 . . . . 82 LYS HA . 10332 1 862 . 1 1 82 82 LYS HB2 H 1 1.870 0.030 . 2 . . . . 82 LYS HB2 . 10332 1 863 . 1 1 82 82 LYS HB3 H 1 1.349 0.030 . 2 . . . . 82 LYS HB3 . 10332 1 864 . 1 1 82 82 LYS HD2 H 1 1.149 0.030 . 1 . . . . 82 LYS HD2 . 10332 1 865 . 1 1 82 82 LYS HD3 H 1 1.149 0.030 . 1 . . . . 82 LYS HD3 . 10332 1 866 . 1 1 82 82 LYS HE2 H 1 2.201 0.030 . 2 . . . . 82 LYS HE2 . 10332 1 867 . 1 1 82 82 LYS HE3 H 1 1.936 0.030 . 2 . . . . 82 LYS HE3 . 10332 1 868 . 1 1 82 82 LYS HG2 H 1 0.487 0.030 . 2 . . . . 82 LYS HG2 . 10332 1 869 . 1 1 82 82 LYS HG3 H 1 0.738 0.030 . 2 . . . . 82 LYS HG3 . 10332 1 870 . 1 1 82 82 LYS C C 13 175.203 0.300 . 1 . . . . 82 LYS C . 10332 1 871 . 1 1 82 82 LYS CA C 13 54.600 0.300 . 1 . . . . 82 LYS CA . 10332 1 872 . 1 1 82 82 LYS CB C 13 36.017 0.300 . 1 . . . . 82 LYS CB . 10332 1 873 . 1 1 82 82 LYS CD C 13 29.504 0.300 . 1 . . . . 82 LYS CD . 10332 1 874 . 1 1 82 82 LYS CE C 13 41.637 0.300 . 1 . . . . 82 LYS CE . 10332 1 875 . 1 1 82 82 LYS CG C 13 24.644 0.300 . 1 . . . . 82 LYS CG . 10332 1 876 . 1 1 82 82 LYS N N 15 126.088 0.300 . 1 . . . . 82 LYS N . 10332 1 877 . 1 1 83 83 TYR H H 1 8.067 0.030 . 1 . . . . 83 TYR H . 10332 1 878 . 1 1 83 83 TYR HA H 1 5.350 0.030 . 1 . . . . 83 TYR HA . 10332 1 879 . 1 1 83 83 TYR HB2 H 1 2.625 0.030 . 2 . . . . 83 TYR HB2 . 10332 1 880 . 1 1 83 83 TYR HB3 H 1 2.478 0.030 . 2 . . . . 83 TYR HB3 . 10332 1 881 . 1 1 83 83 TYR HD1 H 1 6.636 0.030 . 1 . . . . 83 TYR HD1 . 10332 1 882 . 1 1 83 83 TYR HD2 H 1 6.636 0.030 . 1 . . . . 83 TYR HD2 . 10332 1 883 . 1 1 83 83 TYR HE1 H 1 6.570 0.030 . 1 . . . . 83 TYR HE1 . 10332 1 884 . 1 1 83 83 TYR HE2 H 1 6.570 0.030 . 1 . . . . 83 TYR HE2 . 10332 1 885 . 1 1 83 83 TYR C C 13 175.359 0.300 . 1 . . . . 83 TYR C . 10332 1 886 . 1 1 83 83 TYR CA C 13 56.921 0.300 . 1 . . . . 83 TYR CA . 10332 1 887 . 1 1 83 83 TYR CB C 13 43.109 0.300 . 1 . . . . 83 TYR CB . 10332 1 888 . 1 1 83 83 TYR CD1 C 13 132.136 0.300 . 1 . . . . 83 TYR CD1 . 10332 1 889 . 1 1 83 83 TYR CD2 C 13 132.136 0.300 . 1 . . . . 83 TYR CD2 . 10332 1 890 . 1 1 83 83 TYR CE1 C 13 118.085 0.300 . 1 . . . . 83 TYR CE1 . 10332 1 891 . 1 1 83 83 TYR CE2 C 13 118.085 0.300 . 1 . . . . 83 TYR CE2 . 10332 1 892 . 1 1 83 83 TYR N N 15 120.562 0.300 . 1 . . . . 83 TYR N . 10332 1 893 . 1 1 84 84 GLY H H 1 8.448 0.030 . 1 . . . . 84 GLY H . 10332 1 894 . 1 1 84 84 GLY HA2 H 1 3.774 0.030 . 2 . . . . 84 GLY HA2 . 10332 1 895 . 1 1 84 84 GLY HA3 H 1 3.543 0.030 . 2 . . . . 84 GLY HA3 . 10332 1 896 . 1 1 84 84 GLY C C 13 173.252 0.300 . 1 . . . . 84 GLY C . 10332 1 897 . 1 1 84 84 GLY CA C 13 45.686 0.300 . 1 . . . . 84 GLY CA . 10332 1 898 . 1 1 84 84 GLY N N 15 114.371 0.300 . 1 . . . . 84 GLY N . 10332 1 899 . 1 1 85 85 GLY H H 1 7.499 0.030 . 1 . . . . 85 GLY H . 10332 1 900 . 1 1 85 85 GLY HA2 H 1 3.634 0.030 . 2 . . . . 85 GLY HA2 . 10332 1 901 . 1 1 85 85 GLY HA3 H 1 4.508 0.030 . 2 . . . . 85 GLY HA3 . 10332 1 902 . 1 1 85 85 GLY C C 13 172.496 0.300 . 1 . . . . 85 GLY C . 10332 1 903 . 1 1 85 85 GLY CA C 13 44.269 0.300 . 1 . . . . 85 GLY CA . 10332 1 904 . 1 1 85 85 GLY N N 15 107.475 0.300 . 1 . . . . 85 GLY N . 10332 1 905 . 1 1 86 86 PRO HA H 1 4.377 0.030 . 1 . . . . 86 PRO HA . 10332 1 906 . 1 1 86 86 PRO HB2 H 1 2.064 0.030 . 1 . . . . 86 PRO HB2 . 10332 1 907 . 1 1 86 86 PRO HB3 H 1 2.064 0.030 . 1 . . . . 86 PRO HB3 . 10332 1 908 . 1 1 86 86 PRO HD2 H 1 3.478 0.030 . 2 . . . . 86 PRO HD2 . 10332 1 909 . 1 1 86 86 PRO HD3 H 1 3.693 0.030 . 2 . . . . 86 PRO HD3 . 10332 1 910 . 1 1 86 86 PRO HG2 H 1 1.824 0.030 . 2 . . . . 86 PRO HG2 . 10332 1 911 . 1 1 86 86 PRO HG3 H 1 1.992 0.030 . 2 . . . . 86 PRO HG3 . 10332 1 912 . 1 1 86 86 PRO C C 13 176.357 0.300 . 1 . . . . 86 PRO C . 10332 1 913 . 1 1 86 86 PRO CA C 13 63.244 0.300 . 1 . . . . 86 PRO CA . 10332 1 914 . 1 1 86 86 PRO CB C 13 31.833 0.300 . 1 . . . . 86 PRO CB . 10332 1 915 . 1 1 86 86 PRO CD C 13 49.362 0.300 . 1 . . . . 86 PRO CD . 10332 1 916 . 1 1 86 86 PRO CG C 13 26.208 0.300 . 1 . . . . 86 PRO CG . 10332 1 917 . 1 1 87 87 GLN H H 1 8.326 0.030 . 1 . . . . 87 GLN H . 10332 1 918 . 1 1 87 87 GLN HA H 1 4.369 0.030 . 1 . . . . 87 GLN HA . 10332 1 919 . 1 1 87 87 GLN HB2 H 1 2.095 0.030 . 1 . . . . 87 GLN HB2 . 10332 1 920 . 1 1 87 87 GLN HB3 H 1 2.095 0.030 . 1 . . . . 87 GLN HB3 . 10332 1 921 . 1 1 87 87 GLN HE21 H 1 7.625 0.030 . 2 . . . . 87 GLN HE21 . 10332 1 922 . 1 1 87 87 GLN HE22 H 1 6.937 0.030 . 2 . . . . 87 GLN HE22 . 10332 1 923 . 1 1 87 87 GLN HG2 H 1 2.384 0.030 . 1 . . . . 87 GLN HG2 . 10332 1 924 . 1 1 87 87 GLN HG3 H 1 2.384 0.030 . 1 . . . . 87 GLN HG3 . 10332 1 925 . 1 1 87 87 GLN C C 13 175.559 0.300 . 1 . . . . 87 GLN C . 10332 1 926 . 1 1 87 87 GLN CA C 13 55.930 0.300 . 1 . . . . 87 GLN CA . 10332 1 927 . 1 1 87 87 GLN CB C 13 29.400 0.300 . 1 . . . . 87 GLN CB . 10332 1 928 . 1 1 87 87 GLN CG C 13 33.894 0.300 . 1 . . . . 87 GLN CG . 10332 1 929 . 1 1 87 87 GLN N N 15 121.485 0.300 . 1 . . . . 87 GLN N . 10332 1 930 . 1 1 87 87 GLN NE2 N 15 112.211 0.300 . 1 . . . . 87 GLN NE2 . 10332 1 931 . 1 1 88 88 HIS H H 1 8.285 0.030 . 1 . . . . 88 HIS H . 10332 1 932 . 1 1 88 88 HIS HA H 1 4.481 0.030 . 1 . . . . 88 HIS HA . 10332 1 933 . 1 1 88 88 HIS HB2 H 1 3.249 0.030 . 2 . . . . 88 HIS HB2 . 10332 1 934 . 1 1 88 88 HIS HB3 H 1 2.881 0.030 . 2 . . . . 88 HIS HB3 . 10332 1 935 . 1 1 88 88 HIS HD2 H 1 7.191 0.030 . 1 . . . . 88 HIS HD2 . 10332 1 936 . 1 1 88 88 HIS HE1 H 1 7.516 0.030 . 1 . . . . 88 HIS HE1 . 10332 1 937 . 1 1 88 88 HIS C C 13 178.071 0.300 . 1 . . . . 88 HIS C . 10332 1 938 . 1 1 88 88 HIS CA C 13 57.703 0.300 . 1 . . . . 88 HIS CA . 10332 1 939 . 1 1 88 88 HIS CB C 13 33.561 0.300 . 1 . . . . 88 HIS CB . 10332 1 940 . 1 1 88 88 HIS CD2 C 13 117.868 0.300 . 1 . . . . 88 HIS CD2 . 10332 1 941 . 1 1 88 88 HIS CE1 C 13 136.831 0.300 . 1 . . . . 88 HIS CE1 . 10332 1 942 . 1 1 88 88 HIS N N 15 122.403 0.300 . 1 . . . . 88 HIS N . 10332 1 943 . 1 1 89 89 ILE H H 1 8.265 0.030 . 1 . . . . 89 ILE H . 10332 1 944 . 1 1 89 89 ILE HA H 1 4.552 0.030 . 1 . . . . 89 ILE HA . 10332 1 945 . 1 1 89 89 ILE HB H 1 2.236 0.030 . 1 . . . . 89 ILE HB . 10332 1 946 . 1 1 89 89 ILE HD11 H 1 0.903 0.030 . 1 . . . . 89 ILE HD1 . 10332 1 947 . 1 1 89 89 ILE HD12 H 1 0.903 0.030 . 1 . . . . 89 ILE HD1 . 10332 1 948 . 1 1 89 89 ILE HD13 H 1 0.903 0.030 . 1 . . . . 89 ILE HD1 . 10332 1 949 . 1 1 89 89 ILE HG12 H 1 1.397 0.030 . 1 . . . . 89 ILE HG12 . 10332 1 950 . 1 1 89 89 ILE HG13 H 1 1.397 0.030 . 1 . . . . 89 ILE HG13 . 10332 1 951 . 1 1 89 89 ILE HG21 H 1 0.922 0.030 . 1 . . . . 89 ILE HG2 . 10332 1 952 . 1 1 89 89 ILE HG22 H 1 0.922 0.030 . 1 . . . . 89 ILE HG2 . 10332 1 953 . 1 1 89 89 ILE HG23 H 1 0.922 0.030 . 1 . . . . 89 ILE HG2 . 10332 1 954 . 1 1 89 89 ILE C C 13 176.229 0.300 . 1 . . . . 89 ILE C . 10332 1 955 . 1 1 89 89 ILE CA C 13 60.989 0.300 . 1 . . . . 89 ILE CA . 10332 1 956 . 1 1 89 89 ILE CB C 13 38.750 0.300 . 1 . . . . 89 ILE CB . 10332 1 957 . 1 1 89 89 ILE CD1 C 13 15.941 0.300 . 1 . . . . 89 ILE CD1 . 10332 1 958 . 1 1 89 89 ILE CG1 C 13 25.193 0.300 . 1 . . . . 89 ILE CG1 . 10332 1 959 . 1 1 89 89 ILE CG2 C 13 17.674 0.300 . 1 . . . . 89 ILE CG2 . 10332 1 960 . 1 1 89 89 ILE N N 15 115.453 0.300 . 1 . . . . 89 ILE N . 10332 1 961 . 1 1 90 90 VAL H H 1 8.423 0.030 . 1 . . . . 90 VAL H . 10332 1 962 . 1 1 90 90 VAL HA H 1 3.654 0.030 . 1 . . . . 90 VAL HA . 10332 1 963 . 1 1 90 90 VAL HB H 1 2.133 0.030 . 1 . . . . 90 VAL HB . 10332 1 964 . 1 1 90 90 VAL HG11 H 1 1.142 0.030 . 1 . . . . 90 VAL HG1 . 10332 1 965 . 1 1 90 90 VAL HG12 H 1 1.142 0.030 . 1 . . . . 90 VAL HG1 . 10332 1 966 . 1 1 90 90 VAL HG13 H 1 1.142 0.030 . 1 . . . . 90 VAL HG1 . 10332 1 967 . 1 1 90 90 VAL HG21 H 1 0.977 0.030 . 1 . . . . 90 VAL HG2 . 10332 1 968 . 1 1 90 90 VAL HG22 H 1 0.977 0.030 . 1 . . . . 90 VAL HG2 . 10332 1 969 . 1 1 90 90 VAL HG23 H 1 0.977 0.030 . 1 . . . . 90 VAL HG2 . 10332 1 970 . 1 1 90 90 VAL C C 13 176.698 0.300 . 1 . . . . 90 VAL C . 10332 1 971 . 1 1 90 90 VAL CA C 13 65.821 0.300 . 1 . . . . 90 VAL CA . 10332 1 972 . 1 1 90 90 VAL CB C 13 31.112 0.300 . 1 . . . . 90 VAL CB . 10332 1 973 . 1 1 90 90 VAL CG1 C 13 22.442 0.300 . 2 . . . . 90 VAL CG1 . 10332 1 974 . 1 1 90 90 VAL CG2 C 13 20.936 0.300 . 2 . . . . 90 VAL CG2 . 10332 1 975 . 1 1 90 90 VAL N N 15 122.942 0.300 . 1 . . . . 90 VAL N . 10332 1 976 . 1 1 91 91 GLY H H 1 8.269 0.030 . 1 . . . . 91 GLY H . 10332 1 977 . 1 1 91 91 GLY HA2 H 1 4.125 0.030 . 2 . . . . 91 GLY HA2 . 10332 1 978 . 1 1 91 91 GLY HA3 H 1 3.151 0.030 . 2 . . . . 91 GLY HA3 . 10332 1 979 . 1 1 91 91 GLY C C 13 172.108 0.300 . 1 . . . . 91 GLY C . 10332 1 980 . 1 1 91 91 GLY CA C 13 44.521 0.300 . 1 . . . . 91 GLY CA . 10332 1 981 . 1 1 91 91 GLY N N 15 115.842 0.300 . 1 . . . . 91 GLY N . 10332 1 982 . 1 1 92 92 SER H H 1 7.339 0.030 . 1 . . . . 92 SER H . 10332 1 983 . 1 1 92 92 SER HA H 1 4.152 0.030 . 1 . . . . 92 SER HA . 10332 1 984 . 1 1 92 92 SER HB2 H 1 3.746 0.030 . 2 . . . . 92 SER HB2 . 10332 1 985 . 1 1 92 92 SER HB3 H 1 4.464 0.030 . 2 . . . . 92 SER HB3 . 10332 1 986 . 1 1 92 92 SER CA C 13 54.698 0.300 . 1 . . . . 92 SER CA . 10332 1 987 . 1 1 92 92 SER CB C 13 62.500 0.300 . 1 . . . . 92 SER CB . 10332 1 988 . 1 1 92 92 SER N N 15 111.687 0.300 . 1 . . . . 92 SER N . 10332 1 989 . 1 1 93 93 PRO HA H 1 5.522 0.030 . 1 . . . . 93 PRO HA . 10332 1 990 . 1 1 93 93 PRO HB2 H 1 1.967 0.030 . 2 . . . . 93 PRO HB2 . 10332 1 991 . 1 1 93 93 PRO HB3 H 1 1.746 0.030 . 2 . . . . 93 PRO HB3 . 10332 1 992 . 1 1 93 93 PRO HD2 H 1 3.259 0.030 . 2 . . . . 93 PRO HD2 . 10332 1 993 . 1 1 93 93 PRO HD3 H 1 2.467 0.030 . 2 . . . . 93 PRO HD3 . 10332 1 994 . 1 1 93 93 PRO HG2 H 1 1.844 0.030 . 1 . . . . 93 PRO HG2 . 10332 1 995 . 1 1 93 93 PRO HG3 H 1 1.844 0.030 . 1 . . . . 93 PRO HG3 . 10332 1 996 . 1 1 93 93 PRO C C 13 175.649 0.300 . 1 . . . . 93 PRO C . 10332 1 997 . 1 1 93 93 PRO CA C 13 62.420 0.300 . 1 . . . . 93 PRO CA . 10332 1 998 . 1 1 93 93 PRO CB C 13 34.006 0.300 . 1 . . . . 93 PRO CB . 10332 1 999 . 1 1 93 93 PRO CD C 13 49.759 0.300 . 1 . . . . 93 PRO CD . 10332 1 1000 . 1 1 93 93 PRO CG C 13 24.619 0.300 . 1 . . . . 93 PRO CG . 10332 1 1001 . 1 1 94 94 PHE H H 1 9.422 0.030 . 1 . . . . 94 PHE H . 10332 1 1002 . 1 1 94 94 PHE HA H 1 4.454 0.030 . 1 . . . . 94 PHE HA . 10332 1 1003 . 1 1 94 94 PHE HB2 H 1 3.165 0.030 . 2 . . . . 94 PHE HB2 . 10332 1 1004 . 1 1 94 94 PHE HB3 H 1 2.766 0.030 . 2 . . . . 94 PHE HB3 . 10332 1 1005 . 1 1 94 94 PHE HD1 H 1 7.221 0.030 . 1 . . . . 94 PHE HD1 . 10332 1 1006 . 1 1 94 94 PHE HD2 H 1 7.221 0.030 . 1 . . . . 94 PHE HD2 . 10332 1 1007 . 1 1 94 94 PHE HE1 H 1 7.137 0.030 . 1 . . . . 94 PHE HE1 . 10332 1 1008 . 1 1 94 94 PHE HE2 H 1 7.137 0.030 . 1 . . . . 94 PHE HE2 . 10332 1 1009 . 1 1 94 94 PHE HZ H 1 7.400 0.030 . 1 . . . . 94 PHE HZ . 10332 1 1010 . 1 1 94 94 PHE C C 13 175.155 0.300 . 1 . . . . 94 PHE C . 10332 1 1011 . 1 1 94 94 PHE CA C 13 57.342 0.300 . 1 . . . . 94 PHE CA . 10332 1 1012 . 1 1 94 94 PHE CB C 13 40.874 0.300 . 1 . . . . 94 PHE CB . 10332 1 1013 . 1 1 94 94 PHE CD1 C 13 132.554 0.300 . 1 . . . . 94 PHE CD1 . 10332 1 1014 . 1 1 94 94 PHE CD2 C 13 132.554 0.300 . 1 . . . . 94 PHE CD2 . 10332 1 1015 . 1 1 94 94 PHE CE1 C 13 130.685 0.300 . 1 . . . . 94 PHE CE1 . 10332 1 1016 . 1 1 94 94 PHE CE2 C 13 130.685 0.300 . 1 . . . . 94 PHE CE2 . 10332 1 1017 . 1 1 94 94 PHE CZ C 13 129.495 0.300 . 1 . . . . 94 PHE CZ . 10332 1 1018 . 1 1 94 94 PHE N N 15 123.599 0.300 . 1 . . . . 94 PHE N . 10332 1 1019 . 1 1 95 95 LYS H H 1 8.710 0.030 . 1 . . . . 95 LYS H . 10332 1 1020 . 1 1 95 95 LYS HA H 1 4.938 0.030 . 1 . . . . 95 LYS HA . 10332 1 1021 . 1 1 95 95 LYS HB2 H 1 1.682 0.030 . 2 . . . . 95 LYS HB2 . 10332 1 1022 . 1 1 95 95 LYS HB3 H 1 1.801 0.030 . 2 . . . . 95 LYS HB3 . 10332 1 1023 . 1 1 95 95 LYS HD2 H 1 1.621 0.030 . 1 . . . . 95 LYS HD2 . 10332 1 1024 . 1 1 95 95 LYS HD3 H 1 1.621 0.030 . 1 . . . . 95 LYS HD3 . 10332 1 1025 . 1 1 95 95 LYS HE2 H 1 2.881 0.030 . 1 . . . . 95 LYS HE2 . 10332 1 1026 . 1 1 95 95 LYS HE3 H 1 2.881 0.030 . 1 . . . . 95 LYS HE3 . 10332 1 1027 . 1 1 95 95 LYS HG2 H 1 1.199 0.030 . 2 . . . . 95 LYS HG2 . 10332 1 1028 . 1 1 95 95 LYS HG3 H 1 1.299 0.030 . 2 . . . . 95 LYS HG3 . 10332 1 1029 . 1 1 95 95 LYS C C 13 174.194 0.300 . 1 . . . . 95 LYS C . 10332 1 1030 . 1 1 95 95 LYS CA C 13 55.762 0.300 . 1 . . . . 95 LYS CA . 10332 1 1031 . 1 1 95 95 LYS CB C 13 32.916 0.300 . 1 . . . . 95 LYS CB . 10332 1 1032 . 1 1 95 95 LYS CD C 13 29.428 0.300 . 1 . . . . 95 LYS CD . 10332 1 1033 . 1 1 95 95 LYS CE C 13 41.751 0.300 . 1 . . . . 95 LYS CE . 10332 1 1034 . 1 1 95 95 LYS CG C 13 24.958 0.300 . 1 . . . . 95 LYS CG . 10332 1 1035 . 1 1 95 95 LYS N N 15 123.392 0.300 . 1 . . . . 95 LYS N . 10332 1 1036 . 1 1 96 96 ALA H H 1 9.019 0.030 . 1 . . . . 96 ALA H . 10332 1 1037 . 1 1 96 96 ALA HA H 1 4.481 0.030 . 1 . . . . 96 ALA HA . 10332 1 1038 . 1 1 96 96 ALA HB1 H 1 1.069 0.030 . 1 . . . . 96 ALA HB . 10332 1 1039 . 1 1 96 96 ALA HB2 H 1 1.069 0.030 . 1 . . . . 96 ALA HB . 10332 1 1040 . 1 1 96 96 ALA HB3 H 1 1.069 0.030 . 1 . . . . 96 ALA HB . 10332 1 1041 . 1 1 96 96 ALA C C 13 176.106 0.300 . 1 . . . . 96 ALA C . 10332 1 1042 . 1 1 96 96 ALA CA C 13 50.400 0.300 . 1 . . . . 96 ALA CA . 10332 1 1043 . 1 1 96 96 ALA CB C 13 20.529 0.300 . 1 . . . . 96 ALA CB . 10332 1 1044 . 1 1 96 96 ALA N N 15 129.990 0.300 . 1 . . . . 96 ALA N . 10332 1 1045 . 1 1 97 97 LYS H H 1 7.965 0.030 . 1 . . . . 97 LYS H . 10332 1 1046 . 1 1 97 97 LYS HA H 1 4.957 0.030 . 1 . . . . 97 LYS HA . 10332 1 1047 . 1 1 97 97 LYS HB2 H 1 1.922 0.030 . 2 . . . . 97 LYS HB2 . 10332 1 1048 . 1 1 97 97 LYS HB3 H 1 1.848 0.030 . 2 . . . . 97 LYS HB3 . 10332 1 1049 . 1 1 97 97 LYS HD2 H 1 1.745 0.030 . 1 . . . . 97 LYS HD2 . 10332 1 1050 . 1 1 97 97 LYS HD3 H 1 1.745 0.030 . 1 . . . . 97 LYS HD3 . 10332 1 1051 . 1 1 97 97 LYS HE2 H 1 2.995 0.030 . 1 . . . . 97 LYS HE2 . 10332 1 1052 . 1 1 97 97 LYS HE3 H 1 2.995 0.030 . 1 . . . . 97 LYS HE3 . 10332 1 1053 . 1 1 97 97 LYS HG2 H 1 1.459 0.030 . 2 . . . . 97 LYS HG2 . 10332 1 1054 . 1 1 97 97 LYS HG3 H 1 1.298 0.030 . 2 . . . . 97 LYS HG3 . 10332 1 1055 . 1 1 97 97 LYS C C 13 175.281 0.300 . 1 . . . . 97 LYS C . 10332 1 1056 . 1 1 97 97 LYS CA C 13 55.852 0.300 . 1 . . . . 97 LYS CA . 10332 1 1057 . 1 1 97 97 LYS CB C 13 33.745 0.300 . 1 . . . . 97 LYS CB . 10332 1 1058 . 1 1 97 97 LYS CD C 13 29.314 0.300 . 1 . . . . 97 LYS CD . 10332 1 1059 . 1 1 97 97 LYS CE C 13 42.076 0.300 . 1 . . . . 97 LYS CE . 10332 1 1060 . 1 1 97 97 LYS CG C 13 24.929 0.300 . 1 . . . . 97 LYS CG . 10332 1 1061 . 1 1 97 97 LYS N N 15 124.067 0.300 . 1 . . . . 97 LYS N . 10332 1 1062 . 1 1 98 98 VAL H H 1 9.365 0.030 . 1 . . . . 98 VAL H . 10332 1 1063 . 1 1 98 98 VAL HA H 1 4.814 0.030 . 1 . . . . 98 VAL HA . 10332 1 1064 . 1 1 98 98 VAL HB H 1 2.320 0.030 . 1 . . . . 98 VAL HB . 10332 1 1065 . 1 1 98 98 VAL HG11 H 1 0.720 0.030 . 1 . . . . 98 VAL HG1 . 10332 1 1066 . 1 1 98 98 VAL HG12 H 1 0.720 0.030 . 1 . . . . 98 VAL HG1 . 10332 1 1067 . 1 1 98 98 VAL HG13 H 1 0.720 0.030 . 1 . . . . 98 VAL HG1 . 10332 1 1068 . 1 1 98 98 VAL HG21 H 1 0.633 0.030 . 1 . . . . 98 VAL HG2 . 10332 1 1069 . 1 1 98 98 VAL HG22 H 1 0.633 0.030 . 1 . . . . 98 VAL HG2 . 10332 1 1070 . 1 1 98 98 VAL HG23 H 1 0.633 0.030 . 1 . . . . 98 VAL HG2 . 10332 1 1071 . 1 1 98 98 VAL C C 13 177.002 0.300 . 1 . . . . 98 VAL C . 10332 1 1072 . 1 1 98 98 VAL CA C 13 60.669 0.300 . 1 . . . . 98 VAL CA . 10332 1 1073 . 1 1 98 98 VAL CB C 13 33.113 0.300 . 1 . . . . 98 VAL CB . 10332 1 1074 . 1 1 98 98 VAL CG1 C 13 22.154 0.300 . 2 . . . . 98 VAL CG1 . 10332 1 1075 . 1 1 98 98 VAL CG2 C 13 21.980 0.300 . 2 . . . . 98 VAL CG2 . 10332 1 1076 . 1 1 98 98 VAL N N 15 128.948 0.300 . 1 . . . . 98 VAL N . 10332 1 1077 . 1 1 99 99 THR H H 1 8.502 0.030 . 1 . . . . 99 THR H . 10332 1 1078 . 1 1 99 99 THR HA H 1 4.806 0.030 . 1 . . . . 99 THR HA . 10332 1 1079 . 1 1 99 99 THR HB H 1 4.434 0.030 . 1 . . . . 99 THR HB . 10332 1 1080 . 1 1 99 99 THR HG21 H 1 1.240 0.030 . 1 . . . . 99 THR HG2 . 10332 1 1081 . 1 1 99 99 THR HG22 H 1 1.240 0.030 . 1 . . . . 99 THR HG2 . 10332 1 1082 . 1 1 99 99 THR HG23 H 1 1.240 0.030 . 1 . . . . 99 THR HG2 . 10332 1 1083 . 1 1 99 99 THR C C 13 173.196 0.300 . 1 . . . . 99 THR C . 10332 1 1084 . 1 1 99 99 THR CA C 13 59.928 0.300 . 1 . . . . 99 THR CA . 10332 1 1085 . 1 1 99 99 THR CB C 13 71.218 0.300 . 1 . . . . 99 THR CB . 10332 1 1086 . 1 1 99 99 THR CG2 C 13 21.320 0.300 . 1 . . . . 99 THR CG2 . 10332 1 1087 . 1 1 99 99 THR N N 15 120.722 0.300 . 1 . . . . 99 THR N . 10332 1 1088 . 1 1 100 100 GLY H H 1 8.338 0.030 . 1 . . . . 100 GLY H . 10332 1 1089 . 1 1 100 100 GLY HA2 H 1 3.972 0.030 . 2 . . . . 100 GLY HA2 . 10332 1 1090 . 1 1 100 100 GLY HA3 H 1 4.663 0.030 . 2 . . . . 100 GLY HA3 . 10332 1 1091 . 1 1 100 100 GLY C C 13 171.817 0.300 . 1 . . . . 100 GLY C . 10332 1 1092 . 1 1 100 100 GLY CA C 13 44.015 0.300 . 1 . . . . 100 GLY CA . 10332 1 1093 . 1 1 100 100 GLY N N 15 107.649 0.300 . 1 . . . . 100 GLY N . 10332 1 1094 . 1 1 101 101 PRO HA H 1 4.431 0.030 . 1 . . . . 101 PRO HA . 10332 1 1095 . 1 1 101 101 PRO HB2 H 1 2.190 0.030 . 2 . . . . 101 PRO HB2 . 10332 1 1096 . 1 1 101 101 PRO HB3 H 1 1.804 0.030 . 2 . . . . 101 PRO HB3 . 10332 1 1097 . 1 1 101 101 PRO HD2 H 1 3.478 0.030 . 2 . . . . 101 PRO HD2 . 10332 1 1098 . 1 1 101 101 PRO HD3 H 1 3.632 0.030 . 2 . . . . 101 PRO HD3 . 10332 1 1099 . 1 1 101 101 PRO HG2 H 1 1.865 0.030 . 2 . . . . 101 PRO HG2 . 10332 1 1100 . 1 1 101 101 PRO HG3 H 1 1.967 0.030 . 2 . . . . 101 PRO HG3 . 10332 1 1101 . 1 1 101 101 PRO C C 13 176.932 0.300 . 1 . . . . 101 PRO C . 10332 1 1102 . 1 1 101 101 PRO CA C 13 62.193 0.300 . 1 . . . . 101 PRO CA . 10332 1 1103 . 1 1 101 101 PRO CB C 13 32.182 0.300 . 1 . . . . 101 PRO CB . 10332 1 1104 . 1 1 101 101 PRO CD C 13 49.365 0.300 . 1 . . . . 101 PRO CD . 10332 1 1105 . 1 1 101 101 PRO CG C 13 27.031 0.300 . 1 . . . . 101 PRO CG . 10332 1 1106 . 1 1 102 102 ARG H H 1 8.579 0.030 . 1 . . . . 102 ARG H . 10332 1 1107 . 1 1 102 102 ARG HA H 1 4.307 0.030 . 1 . . . . 102 ARG HA . 10332 1 1108 . 1 1 102 102 ARG HB2 H 1 1.765 0.030 . 2 . . . . 102 ARG HB2 . 10332 1 1109 . 1 1 102 102 ARG HB3 H 1 1.891 0.030 . 2 . . . . 102 ARG HB3 . 10332 1 1110 . 1 1 102 102 ARG HD2 H 1 3.237 0.030 . 1 . . . . 102 ARG HD2 . 10332 1 1111 . 1 1 102 102 ARG HD3 H 1 3.237 0.030 . 1 . . . . 102 ARG HD3 . 10332 1 1112 . 1 1 102 102 ARG HG2 H 1 1.658 0.030 . 1 . . . . 102 ARG HG2 . 10332 1 1113 . 1 1 102 102 ARG HG3 H 1 1.658 0.030 . 1 . . . . 102 ARG HG3 . 10332 1 1114 . 1 1 102 102 ARG C C 13 176.134 0.300 . 1 . . . . 102 ARG C . 10332 1 1115 . 1 1 102 102 ARG CA C 13 57.103 0.300 . 1 . . . . 102 ARG CA . 10332 1 1116 . 1 1 102 102 ARG CB C 13 30.331 0.300 . 1 . . . . 102 ARG CB . 10332 1 1117 . 1 1 102 102 ARG CD C 13 43.479 0.300 . 1 . . . . 102 ARG CD . 10332 1 1118 . 1 1 102 102 ARG CG C 13 28.142 0.300 . 1 . . . . 102 ARG CG . 10332 1 1119 . 1 1 102 102 ARG N N 15 119.904 0.300 . 1 . . . . 102 ARG N . 10332 1 1120 . 1 1 103 103 LEU H H 1 8.494 0.030 . 1 . . . . 103 LEU H . 10332 1 1121 . 1 1 103 103 LEU HA H 1 4.548 0.030 . 1 . . . . 103 LEU HA . 10332 1 1122 . 1 1 103 103 LEU HB2 H 1 1.767 0.030 . 2 . . . . 103 LEU HB2 . 10332 1 1123 . 1 1 103 103 LEU HB3 H 1 1.603 0.030 . 2 . . . . 103 LEU HB3 . 10332 1 1124 . 1 1 103 103 LEU HD11 H 1 0.874 0.030 . 1 . . . . 103 LEU HD1 . 10332 1 1125 . 1 1 103 103 LEU HD12 H 1 0.874 0.030 . 1 . . . . 103 LEU HD1 . 10332 1 1126 . 1 1 103 103 LEU HD13 H 1 0.874 0.030 . 1 . . . . 103 LEU HD1 . 10332 1 1127 . 1 1 103 103 LEU HD21 H 1 0.795 0.030 . 1 . . . . 103 LEU HD2 . 10332 1 1128 . 1 1 103 103 LEU HD22 H 1 0.795 0.030 . 1 . . . . 103 LEU HD2 . 10332 1 1129 . 1 1 103 103 LEU HD23 H 1 0.795 0.030 . 1 . . . . 103 LEU HD2 . 10332 1 1130 . 1 1 103 103 LEU HG H 1 1.652 0.030 . 1 . . . . 103 LEU HG . 10332 1 1131 . 1 1 103 103 LEU C C 13 177.151 0.300 . 1 . . . . 103 LEU C . 10332 1 1132 . 1 1 103 103 LEU CA C 13 54.656 0.300 . 1 . . . . 103 LEU CA . 10332 1 1133 . 1 1 103 103 LEU CB C 13 42.910 0.300 . 1 . . . . 103 LEU CB . 10332 1 1134 . 1 1 103 103 LEU CD1 C 13 25.181 0.300 . 2 . . . . 103 LEU CD1 . 10332 1 1135 . 1 1 103 103 LEU CD2 C 13 22.711 0.300 . 2 . . . . 103 LEU CD2 . 10332 1 1136 . 1 1 103 103 LEU CG C 13 26.763 0.300 . 1 . . . . 103 LEU CG . 10332 1 1137 . 1 1 103 103 LEU N N 15 127.030 0.300 . 1 . . . . 103 LEU N . 10332 1 1138 . 1 1 104 104 SER H H 1 8.208 0.030 . 1 . . . . 104 SER H . 10332 1 1139 . 1 1 104 104 SER HA H 1 4.516 0.030 . 1 . . . . 104 SER HA . 10332 1 1140 . 1 1 104 104 SER HB2 H 1 3.867 0.030 . 2 . . . . 104 SER HB2 . 10332 1 1141 . 1 1 104 104 SER C C 13 174.740 0.300 . 1 . . . . 104 SER C . 10332 1 1142 . 1 1 104 104 SER CA C 13 58.321 0.300 . 1 . . . . 104 SER CA . 10332 1 1143 . 1 1 104 104 SER CB C 13 63.965 0.300 . 1 . . . . 104 SER CB . 10332 1 1144 . 1 1 104 104 SER N N 15 115.456 0.300 . 1 . . . . 104 SER N . 10332 1 1145 . 1 1 105 105 GLY H H 1 8.333 0.030 . 1 . . . . 105 GLY H . 10332 1 1146 . 1 1 105 105 GLY HA2 H 1 4.100 0.030 . 1 . . . . 105 GLY HA2 . 10332 1 1147 . 1 1 105 105 GLY HA3 H 1 4.100 0.030 . 1 . . . . 105 GLY HA3 . 10332 1 1148 . 1 1 105 105 GLY C C 13 171.910 0.300 . 1 . . . . 105 GLY C . 10332 1 1149 . 1 1 105 105 GLY CA C 13 44.373 0.300 . 1 . . . . 105 GLY CA . 10332 1 1150 . 1 1 105 105 GLY N N 15 110.811 0.300 . 1 . . . . 105 GLY N . 10332 1 1151 . 1 1 106 106 SER C C 13 174.147 0.300 . 1 . . . . 106 SER C . 10332 1 1152 . 1 1 106 106 SER CA C 13 54.902 0.300 . 1 . . . . 106 SER CA . 10332 1 1153 . 1 1 106 106 SER CB C 13 62.647 0.300 . 1 . . . . 106 SER CB . 10332 1 1154 . 1 1 107 107 GLY HA2 H 1 4.143 0.030 . 2 . . . . 107 GLY HA2 . 10332 1 1155 . 1 1 107 107 GLY CA C 13 44.651 0.300 . 1 . . . . 107 GLY CA . 10332 1 1156 . 1 1 108 108 PRO HA H 1 4.475 0.030 . 1 . . . . 108 PRO HA . 10332 1 1157 . 1 1 108 108 PRO HB2 H 1 2.289 0.030 . 2 . . . . 108 PRO HB2 . 10332 1 1158 . 1 1 108 108 PRO HB3 H 1 1.975 0.030 . 2 . . . . 108 PRO HB3 . 10332 1 1159 . 1 1 108 108 PRO HD2 H 1 3.625 0.030 . 1 . . . . 108 PRO HD2 . 10332 1 1160 . 1 1 108 108 PRO HD3 H 1 3.625 0.030 . 1 . . . . 108 PRO HD3 . 10332 1 1161 . 1 1 108 108 PRO HG2 H 1 2.009 0.030 . 1 . . . . 108 PRO HG2 . 10332 1 1162 . 1 1 108 108 PRO HG3 H 1 2.009 0.030 . 1 . . . . 108 PRO HG3 . 10332 1 1163 . 1 1 108 108 PRO CA C 13 63.292 0.300 . 1 . . . . 108 PRO CA . 10332 1 1164 . 1 1 108 108 PRO CB C 13 32.202 0.300 . 1 . . . . 108 PRO CB . 10332 1 1165 . 1 1 108 108 PRO CD C 13 49.809 0.300 . 1 . . . . 108 PRO CD . 10332 1 1166 . 1 1 108 108 PRO CG C 13 27.145 0.300 . 1 . . . . 108 PRO CG . 10332 1 1167 . 1 1 110 110 SER HA H 1 4.477 0.030 . 1 . . . . 110 SER HA . 10332 1 1168 . 1 1 110 110 SER HB2 H 1 3.880 0.030 . 2 . . . . 110 SER HB2 . 10332 1 1169 . 1 1 110 110 SER C C 13 173.931 0.300 . 1 . . . . 110 SER C . 10332 1 1170 . 1 1 110 110 SER CA C 13 58.445 0.300 . 1 . . . . 110 SER CA . 10332 1 1171 . 1 1 110 110 SER CB C 13 64.047 0.300 . 1 . . . . 110 SER CB . 10332 1 1172 . 1 1 111 111 GLY H H 1 8.047 0.030 . 1 . . . . 111 GLY H . 10332 1 1173 . 1 1 111 111 GLY HA2 H 1 3.791 0.030 . 2 . . . . 111 GLY HA2 . 10332 1 1174 . 1 1 111 111 GLY HA3 H 1 3.750 0.030 . 2 . . . . 111 GLY HA3 . 10332 1 1175 . 1 1 111 111 GLY C C 13 178.979 0.300 . 1 . . . . 111 GLY C . 10332 1 1176 . 1 1 111 111 GLY CA C 13 46.207 0.300 . 1 . . . . 111 GLY CA . 10332 1 1177 . 1 1 111 111 GLY N N 15 116.845 0.300 . 1 . . . . 111 GLY N . 10332 1 stop_ save_