data_10325 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10325 _Entry.Title ; Solution structure of the 15th Filamin domain from human Filamin-B ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-04-02 _Entry.Accession_date 2009-04-02 _Entry.Last_release_date 2010-04-07 _Entry.Original_release_date 2010-04-07 _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 . . . 10325 2 N. Tochio . . . 10325 3 S. Koshiba . . . 10325 4 S. Watanabe . . . 10325 5 T. Harada . . . 10325 6 T. Kigawa . . . 10325 7 S. Yokoyama . . . 10325 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' 10325 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10325 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 414 10325 '15N chemical shifts' 95 10325 '1H chemical shifts' 635 10325 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 . . 2010-04-07 2009-04-02 original author . 10325 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DMB 'BMRB Entry Tracking System' 10325 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10325 _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 15th Filamin domain from human Filamin-B' _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 . . . 10325 1 2 N. Tochio . . . 10325 1 3 S. Koshiba . . . 10325 1 4 S. Watanabe . . . 10325 1 5 T. Harada . . . 10325 1 6 T. Kigawa . . . 10325 1 7 S. Yokoyama . . . 10325 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10325 _Assembly.ID 1 _Assembly.Name Filamin-B _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 . . . 10325 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 2DMB . . . . . . 10325 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10325 _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 ; GSSGSSGTGDASKCLATGPG IASTVKTGEEVGFVVDAKTA GKGKVTCTVLTPDGTEAEAD VIENEDGTYDIFYTAAKPGT YVIYVRFGGVDIPNSPFTVM ATDGEVTAVEEAPVNACPSG PSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2DMB . "Solution Structure Of The 15th Filamin Domain From Human Filamin-B" . . . . . 100.00 124 100.00 100.00 2.95e-79 . . . . 10325 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Filamin domain' . 10325 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 . 10325 1 2 . SER . 10325 1 3 . SER . 10325 1 4 . GLY . 10325 1 5 . SER . 10325 1 6 . SER . 10325 1 7 . GLY . 10325 1 8 . THR . 10325 1 9 . GLY . 10325 1 10 . ASP . 10325 1 11 . ALA . 10325 1 12 . SER . 10325 1 13 . LYS . 10325 1 14 . CYS . 10325 1 15 . LEU . 10325 1 16 . ALA . 10325 1 17 . THR . 10325 1 18 . GLY . 10325 1 19 . PRO . 10325 1 20 . GLY . 10325 1 21 . ILE . 10325 1 22 . ALA . 10325 1 23 . SER . 10325 1 24 . THR . 10325 1 25 . VAL . 10325 1 26 . LYS . 10325 1 27 . THR . 10325 1 28 . GLY . 10325 1 29 . GLU . 10325 1 30 . GLU . 10325 1 31 . VAL . 10325 1 32 . GLY . 10325 1 33 . PHE . 10325 1 34 . VAL . 10325 1 35 . VAL . 10325 1 36 . ASP . 10325 1 37 . ALA . 10325 1 38 . LYS . 10325 1 39 . THR . 10325 1 40 . ALA . 10325 1 41 . GLY . 10325 1 42 . LYS . 10325 1 43 . GLY . 10325 1 44 . LYS . 10325 1 45 . VAL . 10325 1 46 . THR . 10325 1 47 . CYS . 10325 1 48 . THR . 10325 1 49 . VAL . 10325 1 50 . LEU . 10325 1 51 . THR . 10325 1 52 . PRO . 10325 1 53 . ASP . 10325 1 54 . GLY . 10325 1 55 . THR . 10325 1 56 . GLU . 10325 1 57 . ALA . 10325 1 58 . GLU . 10325 1 59 . ALA . 10325 1 60 . ASP . 10325 1 61 . VAL . 10325 1 62 . ILE . 10325 1 63 . GLU . 10325 1 64 . ASN . 10325 1 65 . GLU . 10325 1 66 . ASP . 10325 1 67 . GLY . 10325 1 68 . THR . 10325 1 69 . TYR . 10325 1 70 . ASP . 10325 1 71 . ILE . 10325 1 72 . PHE . 10325 1 73 . TYR . 10325 1 74 . THR . 10325 1 75 . ALA . 10325 1 76 . ALA . 10325 1 77 . LYS . 10325 1 78 . PRO . 10325 1 79 . GLY . 10325 1 80 . THR . 10325 1 81 . TYR . 10325 1 82 . VAL . 10325 1 83 . ILE . 10325 1 84 . TYR . 10325 1 85 . VAL . 10325 1 86 . ARG . 10325 1 87 . PHE . 10325 1 88 . GLY . 10325 1 89 . GLY . 10325 1 90 . VAL . 10325 1 91 . ASP . 10325 1 92 . ILE . 10325 1 93 . PRO . 10325 1 94 . ASN . 10325 1 95 . SER . 10325 1 96 . PRO . 10325 1 97 . PHE . 10325 1 98 . THR . 10325 1 99 . VAL . 10325 1 100 . MET . 10325 1 101 . ALA . 10325 1 102 . THR . 10325 1 103 . ASP . 10325 1 104 . GLY . 10325 1 105 . GLU . 10325 1 106 . VAL . 10325 1 107 . THR . 10325 1 108 . ALA . 10325 1 109 . VAL . 10325 1 110 . GLU . 10325 1 111 . GLU . 10325 1 112 . ALA . 10325 1 113 . PRO . 10325 1 114 . VAL . 10325 1 115 . ASN . 10325 1 116 . ALA . 10325 1 117 . CYS . 10325 1 118 . PRO . 10325 1 119 . SER . 10325 1 120 . GLY . 10325 1 121 . PRO . 10325 1 122 . SER . 10325 1 123 . SER . 10325 1 124 . GLY . 10325 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 10325 1 . SER 2 2 10325 1 . SER 3 3 10325 1 . GLY 4 4 10325 1 . SER 5 5 10325 1 . SER 6 6 10325 1 . GLY 7 7 10325 1 . THR 8 8 10325 1 . GLY 9 9 10325 1 . ASP 10 10 10325 1 . ALA 11 11 10325 1 . SER 12 12 10325 1 . LYS 13 13 10325 1 . CYS 14 14 10325 1 . LEU 15 15 10325 1 . ALA 16 16 10325 1 . THR 17 17 10325 1 . GLY 18 18 10325 1 . PRO 19 19 10325 1 . GLY 20 20 10325 1 . ILE 21 21 10325 1 . ALA 22 22 10325 1 . SER 23 23 10325 1 . THR 24 24 10325 1 . VAL 25 25 10325 1 . LYS 26 26 10325 1 . THR 27 27 10325 1 . GLY 28 28 10325 1 . GLU 29 29 10325 1 . GLU 30 30 10325 1 . VAL 31 31 10325 1 . GLY 32 32 10325 1 . PHE 33 33 10325 1 . VAL 34 34 10325 1 . VAL 35 35 10325 1 . ASP 36 36 10325 1 . ALA 37 37 10325 1 . LYS 38 38 10325 1 . THR 39 39 10325 1 . ALA 40 40 10325 1 . GLY 41 41 10325 1 . LYS 42 42 10325 1 . GLY 43 43 10325 1 . LYS 44 44 10325 1 . VAL 45 45 10325 1 . THR 46 46 10325 1 . CYS 47 47 10325 1 . THR 48 48 10325 1 . VAL 49 49 10325 1 . LEU 50 50 10325 1 . THR 51 51 10325 1 . PRO 52 52 10325 1 . ASP 53 53 10325 1 . GLY 54 54 10325 1 . THR 55 55 10325 1 . GLU 56 56 10325 1 . ALA 57 57 10325 1 . GLU 58 58 10325 1 . ALA 59 59 10325 1 . ASP 60 60 10325 1 . VAL 61 61 10325 1 . ILE 62 62 10325 1 . GLU 63 63 10325 1 . ASN 64 64 10325 1 . GLU 65 65 10325 1 . ASP 66 66 10325 1 . GLY 67 67 10325 1 . THR 68 68 10325 1 . TYR 69 69 10325 1 . ASP 70 70 10325 1 . ILE 71 71 10325 1 . PHE 72 72 10325 1 . TYR 73 73 10325 1 . THR 74 74 10325 1 . ALA 75 75 10325 1 . ALA 76 76 10325 1 . LYS 77 77 10325 1 . PRO 78 78 10325 1 . GLY 79 79 10325 1 . THR 80 80 10325 1 . TYR 81 81 10325 1 . VAL 82 82 10325 1 . ILE 83 83 10325 1 . TYR 84 84 10325 1 . VAL 85 85 10325 1 . ARG 86 86 10325 1 . PHE 87 87 10325 1 . GLY 88 88 10325 1 . GLY 89 89 10325 1 . VAL 90 90 10325 1 . ASP 91 91 10325 1 . ILE 92 92 10325 1 . PRO 93 93 10325 1 . ASN 94 94 10325 1 . SER 95 95 10325 1 . PRO 96 96 10325 1 . PHE 97 97 10325 1 . THR 98 98 10325 1 . VAL 99 99 10325 1 . MET 100 100 10325 1 . ALA 101 101 10325 1 . THR 102 102 10325 1 . ASP 103 103 10325 1 . GLY 104 104 10325 1 . GLU 105 105 10325 1 . VAL 106 106 10325 1 . THR 107 107 10325 1 . ALA 108 108 10325 1 . VAL 109 109 10325 1 . GLU 110 110 10325 1 . GLU 111 111 10325 1 . ALA 112 112 10325 1 . PRO 113 113 10325 1 . VAL 114 114 10325 1 . ASN 115 115 10325 1 . ALA 116 116 10325 1 . CYS 117 117 10325 1 . PRO 118 118 10325 1 . SER 119 119 10325 1 . GLY 120 120 10325 1 . PRO 121 121 10325 1 . SER 122 122 10325 1 . SER 123 123 10325 1 . GLY 124 124 10325 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 10325 _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 . . . . . . . . . . . . . . . . . . . . . 10325 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 10325 _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 . . P051205-15 . . . . . . 10325 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10325 _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 1.21 . . mM . . . . 10325 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 10325 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 10325 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 10325 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 10325 1 6 H2O . . . . . . solvent 90 . . % . . . . 10325 1 7 D2O . . . . . . solvent 10 . . % . . . . 10325 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 10325 _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 10325 1 pH 7.0 0.05 pH 10325 1 pressure 1 0.001 atm 10325 1 temperature 296 0.1 K 10325 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10325 _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 . . 10325 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10325 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10325 _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.' . . 10325 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10325 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10325 _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.' . . 10325 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10325 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10325 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9742 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10325 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10325 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10325 _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.' . . 10325 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10325 5 'structure solution' 10325 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 10325 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10325 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 900 . . . 10325 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 10325 _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 . . . . . . . . . . . . . . . . 10325 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10325 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 10325 _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 . . . . . . . . . 10325 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10325 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10325 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 10325 _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 10325 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10325 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY C C 13 174.173 0.300 . 1 . . . . 7 GLY C . 10325 1 2 . 1 1 8 8 THR H H 1 8.090 0.030 . 1 . . . . 8 THR H . 10325 1 3 . 1 1 8 8 THR HA H 1 4.360 0.030 . 1 . . . . 8 THR HA . 10325 1 4 . 1 1 8 8 THR HB H 1 4.315 0.030 . 1 . . . . 8 THR HB . 10325 1 5 . 1 1 8 8 THR HG21 H 1 1.236 0.030 . 1 . . . . 8 THR HG2 . 10325 1 6 . 1 1 8 8 THR HG22 H 1 1.236 0.030 . 1 . . . . 8 THR HG2 . 10325 1 7 . 1 1 8 8 THR HG23 H 1 1.236 0.030 . 1 . . . . 8 THR HG2 . 10325 1 8 . 1 1 8 8 THR C C 13 174.887 0.300 . 1 . . . . 8 THR C . 10325 1 9 . 1 1 8 8 THR CA C 13 61.882 0.300 . 1 . . . . 8 THR CA . 10325 1 10 . 1 1 8 8 THR CB C 13 70.202 0.300 . 1 . . . . 8 THR CB . 10325 1 11 . 1 1 8 8 THR CG2 C 13 21.576 0.300 . 1 . . . . 8 THR CG2 . 10325 1 12 . 1 1 8 8 THR N N 15 112.837 0.300 . 1 . . . . 8 THR N . 10325 1 13 . 1 1 9 9 GLY H H 1 8.463 0.030 . 1 . . . . 9 GLY H . 10325 1 14 . 1 1 9 9 GLY HA2 H 1 4.149 0.030 . 2 . . . . 9 GLY HA2 . 10325 1 15 . 1 1 9 9 GLY HA3 H 1 4.624 0.030 . 2 . . . . 9 GLY HA3 . 10325 1 16 . 1 1 9 9 GLY C C 13 173.425 0.300 . 1 . . . . 9 GLY C . 10325 1 17 . 1 1 9 9 GLY CA C 13 45.682 0.300 . 1 . . . . 9 GLY CA . 10325 1 18 . 1 1 9 9 GLY N N 15 112.224 0.300 . 1 . . . . 9 GLY N . 10325 1 19 . 1 1 10 10 ASP H H 1 8.961 0.030 . 1 . . . . 10 ASP H . 10325 1 20 . 1 1 10 10 ASP HA H 1 4.925 0.030 . 1 . . . . 10 ASP HA . 10325 1 21 . 1 1 10 10 ASP HB2 H 1 2.485 0.030 . 2 . . . . 10 ASP HB2 . 10325 1 22 . 1 1 10 10 ASP HB3 H 1 2.777 0.030 . 2 . . . . 10 ASP HB3 . 10325 1 23 . 1 1 10 10 ASP C C 13 175.596 0.300 . 1 . . . . 10 ASP C . 10325 1 24 . 1 1 10 10 ASP CA C 13 52.615 0.300 . 1 . . . . 10 ASP CA . 10325 1 25 . 1 1 10 10 ASP CB C 13 41.825 0.300 . 1 . . . . 10 ASP CB . 10325 1 26 . 1 1 10 10 ASP N N 15 121.185 0.300 . 1 . . . . 10 ASP N . 10325 1 27 . 1 1 11 11 ALA H H 1 8.937 0.030 . 1 . . . . 11 ALA H . 10325 1 28 . 1 1 11 11 ALA HA H 1 3.814 0.030 . 1 . . . . 11 ALA HA . 10325 1 29 . 1 1 11 11 ALA HB1 H 1 1.625 0.030 . 1 . . . . 11 ALA HB . 10325 1 30 . 1 1 11 11 ALA HB2 H 1 1.625 0.030 . 1 . . . . 11 ALA HB . 10325 1 31 . 1 1 11 11 ALA HB3 H 1 1.625 0.030 . 1 . . . . 11 ALA HB . 10325 1 32 . 1 1 11 11 ALA C C 13 178.504 0.300 . 1 . . . . 11 ALA C . 10325 1 33 . 1 1 11 11 ALA CA C 13 54.942 0.300 . 1 . . . . 11 ALA CA . 10325 1 34 . 1 1 11 11 ALA CB C 13 19.784 0.300 . 1 . . . . 11 ALA CB . 10325 1 35 . 1 1 11 11 ALA N N 15 126.477 0.300 . 1 . . . . 11 ALA N . 10325 1 36 . 1 1 12 12 SER H H 1 8.194 0.030 . 1 . . . . 12 SER H . 10325 1 37 . 1 1 12 12 SER HA H 1 4.203 0.030 . 1 . . . . 12 SER HA . 10325 1 38 . 1 1 12 12 SER HB2 H 1 4.013 0.030 . 2 . . . . 12 SER HB2 . 10325 1 39 . 1 1 12 12 SER HB3 H 1 3.931 0.030 . 2 . . . . 12 SER HB3 . 10325 1 40 . 1 1 12 12 SER C C 13 174.938 0.300 . 1 . . . . 12 SER C . 10325 1 41 . 1 1 12 12 SER CA C 13 60.788 0.300 . 1 . . . . 12 SER CA . 10325 1 42 . 1 1 12 12 SER CB C 13 62.856 0.300 . 1 . . . . 12 SER CB . 10325 1 43 . 1 1 12 12 SER N N 15 110.691 0.300 . 1 . . . . 12 SER N . 10325 1 44 . 1 1 13 13 LYS H H 1 7.317 0.030 . 1 . . . . 13 LYS H . 10325 1 45 . 1 1 13 13 LYS HA H 1 4.213 0.030 . 1 . . . . 13 LYS HA . 10325 1 46 . 1 1 13 13 LYS HB2 H 1 2.004 0.030 . 2 . . . . 13 LYS HB2 . 10325 1 47 . 1 1 13 13 LYS HB3 H 1 1.375 0.030 . 2 . . . . 13 LYS HB3 . 10325 1 48 . 1 1 13 13 LYS HD2 H 1 1.527 0.030 . 1 . . . . 13 LYS HD2 . 10325 1 49 . 1 1 13 13 LYS HD3 H 1 1.527 0.030 . 1 . . . . 13 LYS HD3 . 10325 1 50 . 1 1 13 13 LYS HE2 H 1 2.936 0.030 . 1 . . . . 13 LYS HE2 . 10325 1 51 . 1 1 13 13 LYS HE3 H 1 2.936 0.030 . 1 . . . . 13 LYS HE3 . 10325 1 52 . 1 1 13 13 LYS HG2 H 1 1.182 0.030 . 2 . . . . 13 LYS HG2 . 10325 1 53 . 1 1 13 13 LYS HG3 H 1 1.372 0.030 . 2 . . . . 13 LYS HG3 . 10325 1 54 . 1 1 13 13 LYS C C 13 177.252 0.300 . 1 . . . . 13 LYS C . 10325 1 55 . 1 1 13 13 LYS CA C 13 55.143 0.300 . 1 . . . . 13 LYS CA . 10325 1 56 . 1 1 13 13 LYS CB C 13 32.026 0.300 . 1 . . . . 13 LYS CB . 10325 1 57 . 1 1 13 13 LYS CD C 13 28.279 0.300 . 1 . . . . 13 LYS CD . 10325 1 58 . 1 1 13 13 LYS CE C 13 42.360 0.300 . 1 . . . . 13 LYS CE . 10325 1 59 . 1 1 13 13 LYS CG C 13 25.131 0.300 . 1 . . . . 13 LYS CG . 10325 1 60 . 1 1 13 13 LYS N N 15 120.124 0.300 . 1 . . . . 13 LYS N . 10325 1 61 . 1 1 14 14 CYS H H 1 7.272 0.030 . 1 . . . . 14 CYS H . 10325 1 62 . 1 1 14 14 CYS HA H 1 4.821 0.030 . 1 . . . . 14 CYS HA . 10325 1 63 . 1 1 14 14 CYS HB2 H 1 2.202 0.030 . 2 . . . . 14 CYS HB2 . 10325 1 64 . 1 1 14 14 CYS HB3 H 1 2.945 0.030 . 2 . . . . 14 CYS HB3 . 10325 1 65 . 1 1 14 14 CYS C C 13 174.276 0.300 . 1 . . . . 14 CYS C . 10325 1 66 . 1 1 14 14 CYS CA C 13 59.830 0.300 . 1 . . . . 14 CYS CA . 10325 1 67 . 1 1 14 14 CYS CB C 13 29.799 0.300 . 1 . . . . 14 CYS CB . 10325 1 68 . 1 1 14 14 CYS N N 15 117.801 0.300 . 1 . . . . 14 CYS N . 10325 1 69 . 1 1 15 15 LEU H H 1 7.986 0.030 . 1 . . . . 15 LEU H . 10325 1 70 . 1 1 15 15 LEU HA H 1 4.825 0.030 . 1 . . . . 15 LEU HA . 10325 1 71 . 1 1 15 15 LEU HB2 H 1 1.694 0.030 . 2 . . . . 15 LEU HB2 . 10325 1 72 . 1 1 15 15 LEU HB3 H 1 1.614 0.030 . 2 . . . . 15 LEU HB3 . 10325 1 73 . 1 1 15 15 LEU HD11 H 1 0.945 0.030 . 1 . . . . 15 LEU HD1 . 10325 1 74 . 1 1 15 15 LEU HD12 H 1 0.945 0.030 . 1 . . . . 15 LEU HD1 . 10325 1 75 . 1 1 15 15 LEU HD13 H 1 0.945 0.030 . 1 . . . . 15 LEU HD1 . 10325 1 76 . 1 1 15 15 LEU HD21 H 1 0.886 0.030 . 1 . . . . 15 LEU HD2 . 10325 1 77 . 1 1 15 15 LEU HD22 H 1 0.886 0.030 . 1 . . . . 15 LEU HD2 . 10325 1 78 . 1 1 15 15 LEU HD23 H 1 0.886 0.030 . 1 . . . . 15 LEU HD2 . 10325 1 79 . 1 1 15 15 LEU HG H 1 1.516 0.030 . 1 . . . . 15 LEU HG . 10325 1 80 . 1 1 15 15 LEU C C 13 175.565 0.300 . 1 . . . . 15 LEU C . 10325 1 81 . 1 1 15 15 LEU CA C 13 54.277 0.300 . 1 . . . . 15 LEU CA . 10325 1 82 . 1 1 15 15 LEU CB C 13 45.809 0.300 . 1 . . . . 15 LEU CB . 10325 1 83 . 1 1 15 15 LEU CD1 C 13 24.723 0.300 . 2 . . . . 15 LEU CD1 . 10325 1 84 . 1 1 15 15 LEU CD2 C 13 24.723 0.300 . 2 . . . . 15 LEU CD2 . 10325 1 85 . 1 1 15 15 LEU CG C 13 27.245 0.300 . 1 . . . . 15 LEU CG . 10325 1 86 . 1 1 15 15 LEU N N 15 122.000 0.300 . 1 . . . . 15 LEU N . 10325 1 87 . 1 1 16 16 ALA H H 1 8.723 0.030 . 1 . . . . 16 ALA H . 10325 1 88 . 1 1 16 16 ALA HA H 1 5.929 0.030 . 1 . . . . 16 ALA HA . 10325 1 89 . 1 1 16 16 ALA HB1 H 1 1.272 0.030 . 1 . . . . 16 ALA HB . 10325 1 90 . 1 1 16 16 ALA HB2 H 1 1.272 0.030 . 1 . . . . 16 ALA HB . 10325 1 91 . 1 1 16 16 ALA HB3 H 1 1.272 0.030 . 1 . . . . 16 ALA HB . 10325 1 92 . 1 1 16 16 ALA C C 13 176.072 0.300 . 1 . . . . 16 ALA C . 10325 1 93 . 1 1 16 16 ALA CA C 13 50.412 0.300 . 1 . . . . 16 ALA CA . 10325 1 94 . 1 1 16 16 ALA CB C 13 22.012 0.300 . 1 . . . . 16 ALA CB . 10325 1 95 . 1 1 16 16 ALA N N 15 128.863 0.300 . 1 . . . . 16 ALA N . 10325 1 96 . 1 1 17 17 THR H H 1 9.035 0.030 . 1 . . . . 17 THR H . 10325 1 97 . 1 1 17 17 THR HA H 1 4.582 0.030 . 1 . . . . 17 THR HA . 10325 1 98 . 1 1 17 17 THR HB H 1 4.127 0.030 . 1 . . . . 17 THR HB . 10325 1 99 . 1 1 17 17 THR HG21 H 1 1.146 0.030 . 1 . . . . 17 THR HG2 . 10325 1 100 . 1 1 17 17 THR HG22 H 1 1.146 0.030 . 1 . . . . 17 THR HG2 . 10325 1 101 . 1 1 17 17 THR HG23 H 1 1.146 0.030 . 1 . . . . 17 THR HG2 . 10325 1 102 . 1 1 17 17 THR C C 13 172.822 0.300 . 1 . . . . 17 THR C . 10325 1 103 . 1 1 17 17 THR CA C 13 60.785 0.300 . 1 . . . . 17 THR CA . 10325 1 104 . 1 1 17 17 THR CB C 13 72.413 0.300 . 1 . . . . 17 THR CB . 10325 1 105 . 1 1 17 17 THR CG2 C 13 21.325 0.300 . 1 . . . . 17 THR CG2 . 10325 1 106 . 1 1 17 17 THR N N 15 113.484 0.300 . 1 . . . . 17 THR N . 10325 1 107 . 1 1 18 18 GLY H H 1 8.235 0.030 . 1 . . . . 18 GLY H . 10325 1 108 . 1 1 18 18 GLY HA2 H 1 4.962 0.030 . 2 . . . . 18 GLY HA2 . 10325 1 109 . 1 1 18 18 GLY HA3 H 1 4.041 0.030 . 2 . . . . 18 GLY HA3 . 10325 1 110 . 1 1 18 18 GLY C C 13 173.133 0.300 . 1 . . . . 18 GLY C . 10325 1 111 . 1 1 18 18 GLY CA C 13 44.729 0.300 . 1 . . . . 18 GLY CA . 10325 1 112 . 1 1 18 18 GLY N N 15 109.416 0.300 . 1 . . . . 18 GLY N . 10325 1 113 . 1 1 19 19 PRO HA H 1 4.306 0.030 . 1 . . . . 19 PRO HA . 10325 1 114 . 1 1 19 19 PRO HB2 H 1 2.403 0.030 . 2 . . . . 19 PRO HB2 . 10325 1 115 . 1 1 19 19 PRO HB3 H 1 2.041 0.030 . 2 . . . . 19 PRO HB3 . 10325 1 116 . 1 1 19 19 PRO HD2 H 1 3.664 0.030 . 2 . . . . 19 PRO HD2 . 10325 1 117 . 1 1 19 19 PRO HD3 H 1 3.961 0.030 . 2 . . . . 19 PRO HD3 . 10325 1 118 . 1 1 19 19 PRO HG2 H 1 2.105 0.030 . 2 . . . . 19 PRO HG2 . 10325 1 119 . 1 1 19 19 PRO HG3 H 1 2.410 0.030 . 2 . . . . 19 PRO HG3 . 10325 1 120 . 1 1 19 19 PRO C C 13 180.153 0.300 . 1 . . . . 19 PRO C . 10325 1 121 . 1 1 19 19 PRO CA C 13 65.384 0.300 . 1 . . . . 19 PRO CA . 10325 1 122 . 1 1 19 19 PRO CB C 13 31.921 0.300 . 1 . . . . 19 PRO CB . 10325 1 123 . 1 1 19 19 PRO CD C 13 50.012 0.300 . 1 . . . . 19 PRO CD . 10325 1 124 . 1 1 19 19 PRO CG C 13 27.739 0.300 . 1 . . . . 19 PRO CG . 10325 1 125 . 1 1 20 20 GLY H H 1 8.876 0.030 . 1 . . . . 20 GLY H . 10325 1 126 . 1 1 20 20 GLY HA2 H 1 3.227 0.030 . 2 . . . . 20 GLY HA2 . 10325 1 127 . 1 1 20 20 GLY HA3 H 1 3.916 0.030 . 2 . . . . 20 GLY HA3 . 10325 1 128 . 1 1 20 20 GLY C C 13 171.765 0.300 . 1 . . . . 20 GLY C . 10325 1 129 . 1 1 20 20 GLY CA C 13 46.272 0.300 . 1 . . . . 20 GLY CA . 10325 1 130 . 1 1 20 20 GLY N N 15 102.216 0.300 . 1 . . . . 20 GLY N . 10325 1 131 . 1 1 21 21 ILE H H 1 6.729 0.030 . 1 . . . . 21 ILE H . 10325 1 132 . 1 1 21 21 ILE HA H 1 4.133 0.030 . 1 . . . . 21 ILE HA . 10325 1 133 . 1 1 21 21 ILE HB H 1 1.211 0.030 . 1 . . . . 21 ILE HB . 10325 1 134 . 1 1 21 21 ILE HD11 H 1 -0.110 0.030 . 1 . . . . 21 ILE HD1 . 10325 1 135 . 1 1 21 21 ILE HD12 H 1 -0.110 0.030 . 1 . . . . 21 ILE HD1 . 10325 1 136 . 1 1 21 21 ILE HD13 H 1 -0.110 0.030 . 1 . . . . 21 ILE HD1 . 10325 1 137 . 1 1 21 21 ILE HG12 H 1 0.655 0.030 . 2 . . . . 21 ILE HG12 . 10325 1 138 . 1 1 21 21 ILE HG13 H 1 -0.064 0.030 . 2 . . . . 21 ILE HG13 . 10325 1 139 . 1 1 21 21 ILE HG21 H 1 -1.110 0.030 . 1 . . . . 21 ILE HG2 . 10325 1 140 . 1 1 21 21 ILE HG22 H 1 -1.110 0.030 . 1 . . . . 21 ILE HG2 . 10325 1 141 . 1 1 21 21 ILE HG23 H 1 -1.110 0.030 . 1 . . . . 21 ILE HG2 . 10325 1 142 . 1 1 21 21 ILE C C 13 176.151 0.300 . 1 . . . . 21 ILE C . 10325 1 143 . 1 1 21 21 ILE CA C 13 60.113 0.300 . 1 . . . . 21 ILE CA . 10325 1 144 . 1 1 21 21 ILE CB C 13 36.370 0.300 . 1 . . . . 21 ILE CB . 10325 1 145 . 1 1 21 21 ILE CD1 C 13 14.255 0.300 . 1 . . . . 21 ILE CD1 . 10325 1 146 . 1 1 21 21 ILE CG1 C 13 25.891 0.300 . 1 . . . . 21 ILE CG1 . 10325 1 147 . 1 1 21 21 ILE CG2 C 13 16.242 0.300 . 1 . . . . 21 ILE CG2 . 10325 1 148 . 1 1 21 21 ILE N N 15 107.529 0.300 . 1 . . . . 21 ILE N . 10325 1 149 . 1 1 22 22 ALA H H 1 6.905 0.030 . 1 . . . . 22 ALA H . 10325 1 150 . 1 1 22 22 ALA HA H 1 4.320 0.030 . 1 . . . . 22 ALA HA . 10325 1 151 . 1 1 22 22 ALA HB1 H 1 1.609 0.030 . 1 . . . . 22 ALA HB . 10325 1 152 . 1 1 22 22 ALA HB2 H 1 1.609 0.030 . 1 . . . . 22 ALA HB . 10325 1 153 . 1 1 22 22 ALA HB3 H 1 1.609 0.030 . 1 . . . . 22 ALA HB . 10325 1 154 . 1 1 22 22 ALA C C 13 174.620 0.300 . 1 . . . . 22 ALA C . 10325 1 155 . 1 1 22 22 ALA CA C 13 51.978 0.300 . 1 . . . . 22 ALA CA . 10325 1 156 . 1 1 22 22 ALA CB C 13 19.800 0.300 . 1 . . . . 22 ALA CB . 10325 1 157 . 1 1 22 22 ALA N N 15 125.447 0.300 . 1 . . . . 22 ALA N . 10325 1 158 . 1 1 23 23 SER H H 1 8.093 0.030 . 1 . . . . 23 SER H . 10325 1 159 . 1 1 23 23 SER HA H 1 4.228 0.030 . 1 . . . . 23 SER HA . 10325 1 160 . 1 1 23 23 SER HB2 H 1 4.023 0.030 . 2 . . . . 23 SER HB2 . 10325 1 161 . 1 1 23 23 SER HB3 H 1 3.986 0.030 . 2 . . . . 23 SER HB3 . 10325 1 162 . 1 1 23 23 SER C C 13 176.042 0.300 . 1 . . . . 23 SER C . 10325 1 163 . 1 1 23 23 SER CA C 13 61.670 0.300 . 1 . . . . 23 SER CA . 10325 1 164 . 1 1 23 23 SER CB C 13 63.533 0.300 . 1 . . . . 23 SER CB . 10325 1 165 . 1 1 23 23 SER N N 15 108.359 0.300 . 1 . . . . 23 SER N . 10325 1 166 . 1 1 24 24 THR H H 1 7.378 0.030 . 1 . . . . 24 THR H . 10325 1 167 . 1 1 24 24 THR HA H 1 5.804 0.030 . 1 . . . . 24 THR HA . 10325 1 168 . 1 1 24 24 THR HB H 1 4.028 0.030 . 1 . . . . 24 THR HB . 10325 1 169 . 1 1 24 24 THR HG21 H 1 1.176 0.030 . 1 . . . . 24 THR HG2 . 10325 1 170 . 1 1 24 24 THR HG22 H 1 1.176 0.030 . 1 . . . . 24 THR HG2 . 10325 1 171 . 1 1 24 24 THR HG23 H 1 1.176 0.030 . 1 . . . . 24 THR HG2 . 10325 1 172 . 1 1 24 24 THR C C 13 173.201 0.300 . 1 . . . . 24 THR C . 10325 1 173 . 1 1 24 24 THR CA C 13 59.536 0.300 . 1 . . . . 24 THR CA . 10325 1 174 . 1 1 24 24 THR CB C 13 72.153 0.300 . 1 . . . . 24 THR CB . 10325 1 175 . 1 1 24 24 THR CG2 C 13 21.865 0.300 . 1 . . . . 24 THR CG2 . 10325 1 176 . 1 1 24 24 THR N N 15 111.172 0.300 . 1 . . . . 24 THR N . 10325 1 177 . 1 1 25 25 VAL H H 1 8.633 0.030 . 1 . . . . 25 VAL H . 10325 1 178 . 1 1 25 25 VAL HA H 1 4.465 0.030 . 1 . . . . 25 VAL HA . 10325 1 179 . 1 1 25 25 VAL HB H 1 2.121 0.030 . 1 . . . . 25 VAL HB . 10325 1 180 . 1 1 25 25 VAL HG11 H 1 0.813 0.030 . 1 . . . . 25 VAL HG1 . 10325 1 181 . 1 1 25 25 VAL HG12 H 1 0.813 0.030 . 1 . . . . 25 VAL HG1 . 10325 1 182 . 1 1 25 25 VAL HG13 H 1 0.813 0.030 . 1 . . . . 25 VAL HG1 . 10325 1 183 . 1 1 25 25 VAL HG21 H 1 0.515 0.030 . 1 . . . . 25 VAL HG2 . 10325 1 184 . 1 1 25 25 VAL HG22 H 1 0.515 0.030 . 1 . . . . 25 VAL HG2 . 10325 1 185 . 1 1 25 25 VAL HG23 H 1 0.515 0.030 . 1 . . . . 25 VAL HG2 . 10325 1 186 . 1 1 25 25 VAL C C 13 173.969 0.300 . 1 . . . . 25 VAL C . 10325 1 187 . 1 1 25 25 VAL CA C 13 59.194 0.300 . 1 . . . . 25 VAL CA . 10325 1 188 . 1 1 25 25 VAL CB C 13 35.871 0.300 . 1 . . . . 25 VAL CB . 10325 1 189 . 1 1 25 25 VAL CG1 C 13 21.726 0.300 . 2 . . . . 25 VAL CG1 . 10325 1 190 . 1 1 25 25 VAL CG2 C 13 17.978 0.300 . 2 . . . . 25 VAL CG2 . 10325 1 191 . 1 1 25 25 VAL N N 15 116.905 0.300 . 1 . . . . 25 VAL N . 10325 1 192 . 1 1 26 26 LYS H H 1 8.280 0.030 . 1 . . . . 26 LYS H . 10325 1 193 . 1 1 26 26 LYS HA H 1 4.927 0.030 . 1 . . . . 26 LYS HA . 10325 1 194 . 1 1 26 26 LYS HB2 H 1 1.597 0.030 . 2 . . . . 26 LYS HB2 . 10325 1 195 . 1 1 26 26 LYS HB3 H 1 1.748 0.030 . 2 . . . . 26 LYS HB3 . 10325 1 196 . 1 1 26 26 LYS HD2 H 1 1.667 0.030 . 1 . . . . 26 LYS HD2 . 10325 1 197 . 1 1 26 26 LYS HD3 H 1 1.667 0.030 . 1 . . . . 26 LYS HD3 . 10325 1 198 . 1 1 26 26 LYS HE2 H 1 2.968 0.030 . 1 . . . . 26 LYS HE2 . 10325 1 199 . 1 1 26 26 LYS HE3 H 1 2.968 0.030 . 1 . . . . 26 LYS HE3 . 10325 1 200 . 1 1 26 26 LYS HG2 H 1 1.483 0.030 . 1 . . . . 26 LYS HG2 . 10325 1 201 . 1 1 26 26 LYS HG3 H 1 1.483 0.030 . 1 . . . . 26 LYS HG3 . 10325 1 202 . 1 1 26 26 LYS C C 13 177.235 0.300 . 1 . . . . 26 LYS C . 10325 1 203 . 1 1 26 26 LYS CA C 13 55.091 0.300 . 1 . . . . 26 LYS CA . 10325 1 204 . 1 1 26 26 LYS CB C 13 33.524 0.300 . 1 . . . . 26 LYS CB . 10325 1 205 . 1 1 26 26 LYS CD C 13 29.143 0.300 . 1 . . . . 26 LYS CD . 10325 1 206 . 1 1 26 26 LYS CE C 13 42.193 0.300 . 1 . . . . 26 LYS CE . 10325 1 207 . 1 1 26 26 LYS CG C 13 24.718 0.300 . 1 . . . . 26 LYS CG . 10325 1 208 . 1 1 26 26 LYS N N 15 122.057 0.300 . 1 . . . . 26 LYS N . 10325 1 209 . 1 1 27 27 THR H H 1 8.083 0.030 . 1 . . . . 27 THR H . 10325 1 210 . 1 1 27 27 THR HA H 1 4.237 0.030 . 1 . . . . 27 THR HA . 10325 1 211 . 1 1 27 27 THR HB H 1 3.964 0.030 . 1 . . . . 27 THR HB . 10325 1 212 . 1 1 27 27 THR HG21 H 1 0.805 0.030 . 1 . . . . 27 THR HG2 . 10325 1 213 . 1 1 27 27 THR HG22 H 1 0.805 0.030 . 1 . . . . 27 THR HG2 . 10325 1 214 . 1 1 27 27 THR HG23 H 1 0.805 0.030 . 1 . . . . 27 THR HG2 . 10325 1 215 . 1 1 27 27 THR C C 13 176.620 0.300 . 1 . . . . 27 THR C . 10325 1 216 . 1 1 27 27 THR CA C 13 62.460 0.300 . 1 . . . . 27 THR CA . 10325 1 217 . 1 1 27 27 THR CB C 13 69.405 0.300 . 1 . . . . 27 THR CB . 10325 1 218 . 1 1 27 27 THR CG2 C 13 22.161 0.300 . 1 . . . . 27 THR CG2 . 10325 1 219 . 1 1 27 27 THR N N 15 116.037 0.300 . 1 . . . . 27 THR N . 10325 1 220 . 1 1 28 28 GLY H H 1 8.670 0.030 . 1 . . . . 28 GLY H . 10325 1 221 . 1 1 28 28 GLY HA2 H 1 3.547 0.030 . 2 . . . . 28 GLY HA2 . 10325 1 222 . 1 1 28 28 GLY HA3 H 1 4.111 0.030 . 2 . . . . 28 GLY HA3 . 10325 1 223 . 1 1 28 28 GLY C C 13 173.228 0.300 . 1 . . . . 28 GLY C . 10325 1 224 . 1 1 28 28 GLY CA C 13 45.843 0.300 . 1 . . . . 28 GLY CA . 10325 1 225 . 1 1 28 28 GLY N N 15 108.319 0.300 . 1 . . . . 28 GLY N . 10325 1 226 . 1 1 29 29 GLU H H 1 7.317 0.030 . 1 . . . . 29 GLU H . 10325 1 227 . 1 1 29 29 GLU HA H 1 4.545 0.030 . 1 . . . . 29 GLU HA . 10325 1 228 . 1 1 29 29 GLU HB2 H 1 1.756 0.030 . 2 . . . . 29 GLU HB2 . 10325 1 229 . 1 1 29 29 GLU HB3 H 1 1.936 0.030 . 2 . . . . 29 GLU HB3 . 10325 1 230 . 1 1 29 29 GLU HG2 H 1 2.053 0.030 . 2 . . . . 29 GLU HG2 . 10325 1 231 . 1 1 29 29 GLU HG3 H 1 2.095 0.030 . 2 . . . . 29 GLU HG3 . 10325 1 232 . 1 1 29 29 GLU C C 13 174.432 0.300 . 1 . . . . 29 GLU C . 10325 1 233 . 1 1 29 29 GLU CA C 13 54.419 0.300 . 1 . . . . 29 GLU CA . 10325 1 234 . 1 1 29 29 GLU CB C 13 32.215 0.300 . 1 . . . . 29 GLU CB . 10325 1 235 . 1 1 29 29 GLU CG C 13 35.880 0.300 . 1 . . . . 29 GLU CG . 10325 1 236 . 1 1 29 29 GLU N N 15 117.996 0.300 . 1 . . . . 29 GLU N . 10325 1 237 . 1 1 30 30 GLU H H 1 8.549 0.030 . 1 . . . . 30 GLU H . 10325 1 238 . 1 1 30 30 GLU HA H 1 4.442 0.030 . 1 . . . . 30 GLU HA . 10325 1 239 . 1 1 30 30 GLU HB2 H 1 1.756 0.030 . 2 . . . . 30 GLU HB2 . 10325 1 240 . 1 1 30 30 GLU HB3 H 1 1.827 0.030 . 2 . . . . 30 GLU HB3 . 10325 1 241 . 1 1 30 30 GLU HG2 H 1 2.014 0.030 . 1 . . . . 30 GLU HG2 . 10325 1 242 . 1 1 30 30 GLU HG3 H 1 2.014 0.030 . 1 . . . . 30 GLU HG3 . 10325 1 243 . 1 1 30 30 GLU C C 13 175.477 0.300 . 1 . . . . 30 GLU C . 10325 1 244 . 1 1 30 30 GLU CA C 13 57.213 0.300 . 1 . . . . 30 GLU CA . 10325 1 245 . 1 1 30 30 GLU CB C 13 30.351 0.300 . 1 . . . . 30 GLU CB . 10325 1 246 . 1 1 30 30 GLU CG C 13 37.681 0.300 . 1 . . . . 30 GLU CG . 10325 1 247 . 1 1 30 30 GLU N N 15 126.117 0.300 . 1 . . . . 30 GLU N . 10325 1 248 . 1 1 31 31 VAL H H 1 9.168 0.030 . 1 . . . . 31 VAL H . 10325 1 249 . 1 1 31 31 VAL HA H 1 4.600 0.030 . 1 . . . . 31 VAL HA . 10325 1 250 . 1 1 31 31 VAL HB H 1 1.711 0.030 . 1 . . . . 31 VAL HB . 10325 1 251 . 1 1 31 31 VAL HG11 H 1 0.585 0.030 . 1 . . . . 31 VAL HG1 . 10325 1 252 . 1 1 31 31 VAL HG12 H 1 0.585 0.030 . 1 . . . . 31 VAL HG1 . 10325 1 253 . 1 1 31 31 VAL HG13 H 1 0.585 0.030 . 1 . . . . 31 VAL HG1 . 10325 1 254 . 1 1 31 31 VAL HG21 H 1 0.620 0.030 . 1 . . . . 31 VAL HG2 . 10325 1 255 . 1 1 31 31 VAL HG22 H 1 0.620 0.030 . 1 . . . . 31 VAL HG2 . 10325 1 256 . 1 1 31 31 VAL HG23 H 1 0.620 0.030 . 1 . . . . 31 VAL HG2 . 10325 1 257 . 1 1 31 31 VAL C C 13 172.964 0.300 . 1 . . . . 31 VAL C . 10325 1 258 . 1 1 31 31 VAL CA C 13 59.972 0.300 . 1 . . . . 31 VAL CA . 10325 1 259 . 1 1 31 31 VAL CB C 13 35.462 0.300 . 1 . . . . 31 VAL CB . 10325 1 260 . 1 1 31 31 VAL CG1 C 13 19.764 0.300 . 2 . . . . 31 VAL CG1 . 10325 1 261 . 1 1 31 31 VAL CG2 C 13 20.504 0.300 . 2 . . . . 31 VAL CG2 . 10325 1 262 . 1 1 31 31 VAL N N 15 127.266 0.300 . 1 . . . . 31 VAL N . 10325 1 263 . 1 1 32 32 GLY H H 1 7.920 0.030 . 1 . . . . 32 GLY H . 10325 1 264 . 1 1 32 32 GLY HA2 H 1 3.294 0.030 . 2 . . . . 32 GLY HA2 . 10325 1 265 . 1 1 32 32 GLY HA3 H 1 5.545 0.030 . 2 . . . . 32 GLY HA3 . 10325 1 266 . 1 1 32 32 GLY C C 13 174.171 0.300 . 1 . . . . 32 GLY C . 10325 1 267 . 1 1 32 32 GLY CA C 13 44.496 0.300 . 1 . . . . 32 GLY CA . 10325 1 268 . 1 1 32 32 GLY N N 15 107.530 0.300 . 1 . . . . 32 GLY N . 10325 1 269 . 1 1 33 33 PHE H H 1 8.729 0.030 . 1 . . . . 33 PHE H . 10325 1 270 . 1 1 33 33 PHE HA H 1 4.940 0.030 . 1 . . . . 33 PHE HA . 10325 1 271 . 1 1 33 33 PHE HB2 H 1 3.062 0.030 . 2 . . . . 33 PHE HB2 . 10325 1 272 . 1 1 33 33 PHE HB3 H 1 2.584 0.030 . 2 . . . . 33 PHE HB3 . 10325 1 273 . 1 1 33 33 PHE HD1 H 1 6.643 0.030 . 1 . . . . 33 PHE HD1 . 10325 1 274 . 1 1 33 33 PHE HD2 H 1 6.643 0.030 . 1 . . . . 33 PHE HD2 . 10325 1 275 . 1 1 33 33 PHE HE1 H 1 6.767 0.030 . 1 . . . . 33 PHE HE1 . 10325 1 276 . 1 1 33 33 PHE HE2 H 1 6.767 0.030 . 1 . . . . 33 PHE HE2 . 10325 1 277 . 1 1 33 33 PHE HZ H 1 7.015 0.030 . 1 . . . . 33 PHE HZ . 10325 1 278 . 1 1 33 33 PHE C C 13 171.484 0.300 . 1 . . . . 33 PHE C . 10325 1 279 . 1 1 33 33 PHE CA C 13 56.491 0.300 . 1 . . . . 33 PHE CA . 10325 1 280 . 1 1 33 33 PHE CB C 13 40.078 0.300 . 1 . . . . 33 PHE CB . 10325 1 281 . 1 1 33 33 PHE CD1 C 13 132.160 0.300 . 1 . . . . 33 PHE CD1 . 10325 1 282 . 1 1 33 33 PHE CD2 C 13 132.160 0.300 . 1 . . . . 33 PHE CD2 . 10325 1 283 . 1 1 33 33 PHE CE1 C 13 130.374 0.300 . 1 . . . . 33 PHE CE1 . 10325 1 284 . 1 1 33 33 PHE CE2 C 13 130.374 0.300 . 1 . . . . 33 PHE CE2 . 10325 1 285 . 1 1 33 33 PHE CZ C 13 130.309 0.300 . 1 . . . . 33 PHE CZ . 10325 1 286 . 1 1 33 33 PHE N N 15 114.575 0.300 . 1 . . . . 33 PHE N . 10325 1 287 . 1 1 34 34 VAL H H 1 9.196 0.030 . 1 . . . . 34 VAL H . 10325 1 288 . 1 1 34 34 VAL HA H 1 5.251 0.030 . 1 . . . . 34 VAL HA . 10325 1 289 . 1 1 34 34 VAL HB H 1 1.949 0.030 . 1 . . . . 34 VAL HB . 10325 1 290 . 1 1 34 34 VAL HG11 H 1 0.953 0.030 . 1 . . . . 34 VAL HG1 . 10325 1 291 . 1 1 34 34 VAL HG12 H 1 0.953 0.030 . 1 . . . . 34 VAL HG1 . 10325 1 292 . 1 1 34 34 VAL HG13 H 1 0.953 0.030 . 1 . . . . 34 VAL HG1 . 10325 1 293 . 1 1 34 34 VAL HG21 H 1 0.924 0.030 . 1 . . . . 34 VAL HG2 . 10325 1 294 . 1 1 34 34 VAL HG22 H 1 0.924 0.030 . 1 . . . . 34 VAL HG2 . 10325 1 295 . 1 1 34 34 VAL HG23 H 1 0.924 0.030 . 1 . . . . 34 VAL HG2 . 10325 1 296 . 1 1 34 34 VAL C C 13 176.102 0.300 . 1 . . . . 34 VAL C . 10325 1 297 . 1 1 34 34 VAL CA C 13 60.164 0.300 . 1 . . . . 34 VAL CA . 10325 1 298 . 1 1 34 34 VAL CB C 13 35.926 0.300 . 1 . . . . 34 VAL CB . 10325 1 299 . 1 1 34 34 VAL CG1 C 13 21.454 0.300 . 2 . . . . 34 VAL CG1 . 10325 1 300 . 1 1 34 34 VAL CG2 C 13 20.717 0.300 . 2 . . . . 34 VAL CG2 . 10325 1 301 . 1 1 34 34 VAL N N 15 120.358 0.300 . 1 . . . . 34 VAL N . 10325 1 302 . 1 1 35 35 VAL H H 1 9.265 0.030 . 1 . . . . 35 VAL H . 10325 1 303 . 1 1 35 35 VAL HA H 1 4.768 0.030 . 1 . . . . 35 VAL HA . 10325 1 304 . 1 1 35 35 VAL HB H 1 1.997 0.030 . 1 . . . . 35 VAL HB . 10325 1 305 . 1 1 35 35 VAL HG11 H 1 0.780 0.030 . 1 . . . . 35 VAL HG1 . 10325 1 306 . 1 1 35 35 VAL HG12 H 1 0.780 0.030 . 1 . . . . 35 VAL HG1 . 10325 1 307 . 1 1 35 35 VAL HG13 H 1 0.780 0.030 . 1 . . . . 35 VAL HG1 . 10325 1 308 . 1 1 35 35 VAL HG21 H 1 0.959 0.030 . 1 . . . . 35 VAL HG2 . 10325 1 309 . 1 1 35 35 VAL HG22 H 1 0.959 0.030 . 1 . . . . 35 VAL HG2 . 10325 1 310 . 1 1 35 35 VAL HG23 H 1 0.959 0.030 . 1 . . . . 35 VAL HG2 . 10325 1 311 . 1 1 35 35 VAL C C 13 174.824 0.300 . 1 . . . . 35 VAL C . 10325 1 312 . 1 1 35 35 VAL CA C 13 60.962 0.300 . 1 . . . . 35 VAL CA . 10325 1 313 . 1 1 35 35 VAL CB C 13 34.390 0.300 . 1 . . . . 35 VAL CB . 10325 1 314 . 1 1 35 35 VAL CG1 C 13 21.197 0.300 . 2 . . . . 35 VAL CG1 . 10325 1 315 . 1 1 35 35 VAL CG2 C 13 22.959 0.300 . 2 . . . . 35 VAL CG2 . 10325 1 316 . 1 1 35 35 VAL N N 15 123.714 0.300 . 1 . . . . 35 VAL N . 10325 1 317 . 1 1 36 36 ASP H H 1 9.212 0.030 . 1 . . . . 36 ASP H . 10325 1 318 . 1 1 36 36 ASP HA H 1 4.684 0.030 . 1 . . . . 36 ASP HA . 10325 1 319 . 1 1 36 36 ASP HB2 H 1 2.599 0.030 . 2 . . . . 36 ASP HB2 . 10325 1 320 . 1 1 36 36 ASP HB3 H 1 3.093 0.030 . 2 . . . . 36 ASP HB3 . 10325 1 321 . 1 1 36 36 ASP C C 13 175.164 0.300 . 1 . . . . 36 ASP C . 10325 1 322 . 1 1 36 36 ASP CA C 13 53.780 0.300 . 1 . . . . 36 ASP CA . 10325 1 323 . 1 1 36 36 ASP CB C 13 41.683 0.300 . 1 . . . . 36 ASP CB . 10325 1 324 . 1 1 36 36 ASP N N 15 127.963 0.300 . 1 . . . . 36 ASP N . 10325 1 325 . 1 1 37 37 ALA H H 1 8.179 0.030 . 1 . . . . 37 ALA H . 10325 1 326 . 1 1 37 37 ALA HA H 1 4.836 0.030 . 1 . . . . 37 ALA HA . 10325 1 327 . 1 1 37 37 ALA HB1 H 1 1.443 0.030 . 1 . . . . 37 ALA HB . 10325 1 328 . 1 1 37 37 ALA HB2 H 1 1.443 0.030 . 1 . . . . 37 ALA HB . 10325 1 329 . 1 1 37 37 ALA HB3 H 1 1.443 0.030 . 1 . . . . 37 ALA HB . 10325 1 330 . 1 1 37 37 ALA C C 13 179.635 0.300 . 1 . . . . 37 ALA C . 10325 1 331 . 1 1 37 37 ALA CA C 13 50.669 0.300 . 1 . . . . 37 ALA CA . 10325 1 332 . 1 1 37 37 ALA CB C 13 20.872 0.300 . 1 . . . . 37 ALA CB . 10325 1 333 . 1 1 37 37 ALA N N 15 130.346 0.300 . 1 . . . . 37 ALA N . 10325 1 334 . 1 1 38 38 LYS H H 1 8.696 0.030 . 1 . . . . 38 LYS H . 10325 1 335 . 1 1 38 38 LYS HA H 1 4.049 0.030 . 1 . . . . 38 LYS HA . 10325 1 336 . 1 1 38 38 LYS HB2 H 1 1.913 0.030 . 2 . . . . 38 LYS HB2 . 10325 1 337 . 1 1 38 38 LYS HB3 H 1 2.057 0.030 . 2 . . . . 38 LYS HB3 . 10325 1 338 . 1 1 38 38 LYS HD2 H 1 1.775 0.030 . 2 . . . . 38 LYS HD2 . 10325 1 339 . 1 1 38 38 LYS HD3 H 1 1.727 0.030 . 2 . . . . 38 LYS HD3 . 10325 1 340 . 1 1 38 38 LYS HE2 H 1 2.896 0.030 . 2 . . . . 38 LYS HE2 . 10325 1 341 . 1 1 38 38 LYS HE3 H 1 2.960 0.030 . 2 . . . . 38 LYS HE3 . 10325 1 342 . 1 1 38 38 LYS HG2 H 1 1.557 0.030 . 2 . . . . 38 LYS HG2 . 10325 1 343 . 1 1 38 38 LYS HG3 H 1 1.831 0.030 . 2 . . . . 38 LYS HG3 . 10325 1 344 . 1 1 38 38 LYS C C 13 179.474 0.300 . 1 . . . . 38 LYS C . 10325 1 345 . 1 1 38 38 LYS CA C 13 61.244 0.300 . 1 . . . . 38 LYS CA . 10325 1 346 . 1 1 38 38 LYS CB C 13 33.071 0.300 . 1 . . . . 38 LYS CB . 10325 1 347 . 1 1 38 38 LYS CD C 13 29.629 0.300 . 1 . . . . 38 LYS CD . 10325 1 348 . 1 1 38 38 LYS CE C 13 41.864 0.300 . 1 . . . . 38 LYS CE . 10325 1 349 . 1 1 38 38 LYS CG C 13 25.444 0.300 . 1 . . . . 38 LYS CG . 10325 1 350 . 1 1 38 38 LYS N N 15 122.385 0.300 . 1 . . . . 38 LYS N . 10325 1 351 . 1 1 39 39 THR H H 1 8.560 0.030 . 1 . . . . 39 THR H . 10325 1 352 . 1 1 39 39 THR HA H 1 4.582 0.030 . 1 . . . . 39 THR HA . 10325 1 353 . 1 1 39 39 THR HB H 1 4.467 0.030 . 1 . . . . 39 THR HB . 10325 1 354 . 1 1 39 39 THR HG21 H 1 1.155 0.030 . 1 . . . . 39 THR HG2 . 10325 1 355 . 1 1 39 39 THR HG22 H 1 1.155 0.030 . 1 . . . . 39 THR HG2 . 10325 1 356 . 1 1 39 39 THR HG23 H 1 1.155 0.030 . 1 . . . . 39 THR HG2 . 10325 1 357 . 1 1 39 39 THR C C 13 174.488 0.300 . 1 . . . . 39 THR C . 10325 1 358 . 1 1 39 39 THR CA C 13 60.715 0.300 . 1 . . . . 39 THR CA . 10325 1 359 . 1 1 39 39 THR CB C 13 68.865 0.300 . 1 . . . . 39 THR CB . 10325 1 360 . 1 1 39 39 THR CG2 C 13 21.945 0.300 . 1 . . . . 39 THR CG2 . 10325 1 361 . 1 1 39 39 THR N N 15 107.538 0.300 . 1 . . . . 39 THR N . 10325 1 362 . 1 1 40 40 ALA H H 1 7.159 0.030 . 1 . . . . 40 ALA H . 10325 1 363 . 1 1 40 40 ALA HA H 1 4.003 0.030 . 1 . . . . 40 ALA HA . 10325 1 364 . 1 1 40 40 ALA HB1 H 1 0.595 0.030 . 1 . . . . 40 ALA HB . 10325 1 365 . 1 1 40 40 ALA HB2 H 1 0.595 0.030 . 1 . . . . 40 ALA HB . 10325 1 366 . 1 1 40 40 ALA HB3 H 1 0.595 0.030 . 1 . . . . 40 ALA HB . 10325 1 367 . 1 1 40 40 ALA C C 13 176.188 0.300 . 1 . . . . 40 ALA C . 10325 1 368 . 1 1 40 40 ALA CA C 13 52.970 0.300 . 1 . . . . 40 ALA CA . 10325 1 369 . 1 1 40 40 ALA CB C 13 21.418 0.300 . 1 . . . . 40 ALA CB . 10325 1 370 . 1 1 40 40 ALA N N 15 123.291 0.300 . 1 . . . . 40 ALA N . 10325 1 371 . 1 1 41 41 GLY H H 1 8.196 0.030 . 1 . . . . 41 GLY H . 10325 1 372 . 1 1 41 41 GLY HA2 H 1 4.241 0.030 . 2 . . . . 41 GLY HA2 . 10325 1 373 . 1 1 41 41 GLY HA3 H 1 3.650 0.030 . 2 . . . . 41 GLY HA3 . 10325 1 374 . 1 1 41 41 GLY C C 13 173.969 0.300 . 1 . . . . 41 GLY C . 10325 1 375 . 1 1 41 41 GLY CA C 13 44.665 0.300 . 1 . . . . 41 GLY CA . 10325 1 376 . 1 1 41 41 GLY N N 15 105.950 0.300 . 1 . . . . 41 GLY N . 10325 1 377 . 1 1 42 42 LYS H H 1 8.265 0.030 . 1 . . . . 42 LYS H . 10325 1 378 . 1 1 42 42 LYS HA H 1 4.407 0.030 . 1 . . . . 42 LYS HA . 10325 1 379 . 1 1 42 42 LYS HB2 H 1 1.684 0.030 . 1 . . . . 42 LYS HB2 . 10325 1 380 . 1 1 42 42 LYS HB3 H 1 1.684 0.030 . 1 . . . . 42 LYS HB3 . 10325 1 381 . 1 1 42 42 LYS HD2 H 1 1.653 0.030 . 1 . . . . 42 LYS HD2 . 10325 1 382 . 1 1 42 42 LYS HD3 H 1 1.653 0.030 . 1 . . . . 42 LYS HD3 . 10325 1 383 . 1 1 42 42 LYS HE2 H 1 2.988 0.030 . 1 . . . . 42 LYS HE2 . 10325 1 384 . 1 1 42 42 LYS HE3 H 1 2.988 0.030 . 1 . . . . 42 LYS HE3 . 10325 1 385 . 1 1 42 42 LYS HG2 H 1 1.333 0.030 . 2 . . . . 42 LYS HG2 . 10325 1 386 . 1 1 42 42 LYS HG3 H 1 1.443 0.030 . 2 . . . . 42 LYS HG3 . 10325 1 387 . 1 1 42 42 LYS C C 13 175.762 0.300 . 1 . . . . 42 LYS C . 10325 1 388 . 1 1 42 42 LYS CA C 13 56.364 0.300 . 1 . . . . 42 LYS CA . 10325 1 389 . 1 1 42 42 LYS CB C 13 33.045 0.300 . 1 . . . . 42 LYS CB . 10325 1 390 . 1 1 42 42 LYS CD C 13 29.110 0.300 . 1 . . . . 42 LYS CD . 10325 1 391 . 1 1 42 42 LYS CE C 13 42.277 0.300 . 1 . . . . 42 LYS CE . 10325 1 392 . 1 1 42 42 LYS CG C 13 24.749 0.300 . 1 . . . . 42 LYS CG . 10325 1 393 . 1 1 42 42 LYS N N 15 122.408 0.300 . 1 . . . . 42 LYS N . 10325 1 394 . 1 1 43 43 GLY H H 1 7.926 0.030 . 1 . . . . 43 GLY H . 10325 1 395 . 1 1 43 43 GLY HA2 H 1 2.917 0.030 . 2 . . . . 43 GLY HA2 . 10325 1 396 . 1 1 43 43 GLY HA3 H 1 3.426 0.030 . 2 . . . . 43 GLY HA3 . 10325 1 397 . 1 1 43 43 GLY C C 13 170.703 0.300 . 1 . . . . 43 GLY C . 10325 1 398 . 1 1 43 43 GLY CA C 13 44.184 0.300 . 1 . . . . 43 GLY CA . 10325 1 399 . 1 1 43 43 GLY N N 15 111.972 0.300 . 1 . . . . 43 GLY N . 10325 1 400 . 1 1 44 44 LYS H H 1 7.775 0.030 . 1 . . . . 44 LYS H . 10325 1 401 . 1 1 44 44 LYS HA H 1 4.732 0.030 . 1 . . . . 44 LYS HA . 10325 1 402 . 1 1 44 44 LYS HB2 H 1 1.542 0.030 . 2 . . . . 44 LYS HB2 . 10325 1 403 . 1 1 44 44 LYS HB3 H 1 1.645 0.030 . 2 . . . . 44 LYS HB3 . 10325 1 404 . 1 1 44 44 LYS HD2 H 1 1.713 0.030 . 1 . . . . 44 LYS HD2 . 10325 1 405 . 1 1 44 44 LYS HD3 H 1 1.713 0.030 . 1 . . . . 44 LYS HD3 . 10325 1 406 . 1 1 44 44 LYS HE2 H 1 2.961 0.030 . 1 . . . . 44 LYS HE2 . 10325 1 407 . 1 1 44 44 LYS HE3 H 1 2.961 0.030 . 1 . . . . 44 LYS HE3 . 10325 1 408 . 1 1 44 44 LYS HG2 H 1 1.358 0.030 . 2 . . . . 44 LYS HG2 . 10325 1 409 . 1 1 44 44 LYS HG3 H 1 1.306 0.030 . 2 . . . . 44 LYS HG3 . 10325 1 410 . 1 1 44 44 LYS C C 13 177.124 0.300 . 1 . . . . 44 LYS C . 10325 1 411 . 1 1 44 44 LYS CA C 13 54.029 0.300 . 1 . . . . 44 LYS CA . 10325 1 412 . 1 1 44 44 LYS CB C 13 34.784 0.300 . 1 . . . . 44 LYS CB . 10325 1 413 . 1 1 44 44 LYS CD C 13 28.902 0.300 . 1 . . . . 44 LYS CD . 10325 1 414 . 1 1 44 44 LYS CE C 13 42.110 0.300 . 1 . . . . 44 LYS CE . 10325 1 415 . 1 1 44 44 LYS CG C 13 24.482 0.300 . 1 . . . . 44 LYS CG . 10325 1 416 . 1 1 44 44 LYS N N 15 116.813 0.300 . 1 . . . . 44 LYS N . 10325 1 417 . 1 1 45 45 VAL H H 1 6.748 0.030 . 1 . . . . 45 VAL H . 10325 1 418 . 1 1 45 45 VAL HA H 1 5.064 0.030 . 1 . . . . 45 VAL HA . 10325 1 419 . 1 1 45 45 VAL HB H 1 0.464 0.030 . 1 . . . . 45 VAL HB . 10325 1 420 . 1 1 45 45 VAL HG11 H 1 0.523 0.030 . 1 . . . . 45 VAL HG1 . 10325 1 421 . 1 1 45 45 VAL HG12 H 1 0.523 0.030 . 1 . . . . 45 VAL HG1 . 10325 1 422 . 1 1 45 45 VAL HG13 H 1 0.523 0.030 . 1 . . . . 45 VAL HG1 . 10325 1 423 . 1 1 45 45 VAL HG21 H 1 0.525 0.030 . 1 . . . . 45 VAL HG2 . 10325 1 424 . 1 1 45 45 VAL HG22 H 1 0.525 0.030 . 1 . . . . 45 VAL HG2 . 10325 1 425 . 1 1 45 45 VAL HG23 H 1 0.525 0.030 . 1 . . . . 45 VAL HG2 . 10325 1 426 . 1 1 45 45 VAL C C 13 175.039 0.300 . 1 . . . . 45 VAL C . 10325 1 427 . 1 1 45 45 VAL CA C 13 61.029 0.300 . 1 . . . . 45 VAL CA . 10325 1 428 . 1 1 45 45 VAL CB C 13 32.527 0.300 . 1 . . . . 45 VAL CB . 10325 1 429 . 1 1 45 45 VAL CG1 C 13 21.448 0.300 . 2 . . . . 45 VAL CG1 . 10325 1 430 . 1 1 45 45 VAL CG2 C 13 24.513 0.300 . 2 . . . . 45 VAL CG2 . 10325 1 431 . 1 1 45 45 VAL N N 15 126.282 0.300 . 1 . . . . 45 VAL N . 10325 1 432 . 1 1 46 46 THR H H 1 8.834 0.030 . 1 . . . . 46 THR H . 10325 1 433 . 1 1 46 46 THR HA H 1 4.528 0.030 . 1 . . . . 46 THR HA . 10325 1 434 . 1 1 46 46 THR HB H 1 4.234 0.030 . 1 . . . . 46 THR HB . 10325 1 435 . 1 1 46 46 THR HG21 H 1 1.005 0.030 . 1 . . . . 46 THR HG2 . 10325 1 436 . 1 1 46 46 THR HG22 H 1 1.005 0.030 . 1 . . . . 46 THR HG2 . 10325 1 437 . 1 1 46 46 THR HG23 H 1 1.005 0.030 . 1 . . . . 46 THR HG2 . 10325 1 438 . 1 1 46 46 THR C C 13 172.699 0.300 . 1 . . . . 46 THR C . 10325 1 439 . 1 1 46 46 THR CA C 13 59.264 0.300 . 1 . . . . 46 THR CA . 10325 1 440 . 1 1 46 46 THR CB C 13 72.233 0.300 . 1 . . . . 46 THR CB . 10325 1 441 . 1 1 46 46 THR CG2 C 13 22.155 0.300 . 1 . . . . 46 THR CG2 . 10325 1 442 . 1 1 46 46 THR N N 15 115.839 0.300 . 1 . . . . 46 THR N . 10325 1 443 . 1 1 47 47 CYS H H 1 8.840 0.030 . 1 . . . . 47 CYS H . 10325 1 444 . 1 1 47 47 CYS HA H 1 5.657 0.030 . 1 . . . . 47 CYS HA . 10325 1 445 . 1 1 47 47 CYS HB2 H 1 2.157 0.030 . 2 . . . . 47 CYS HB2 . 10325 1 446 . 1 1 47 47 CYS HB3 H 1 2.713 0.030 . 2 . . . . 47 CYS HB3 . 10325 1 447 . 1 1 47 47 CYS C C 13 173.179 0.300 . 1 . . . . 47 CYS C . 10325 1 448 . 1 1 47 47 CYS CA C 13 56.856 0.300 . 1 . . . . 47 CYS CA . 10325 1 449 . 1 1 47 47 CYS CB C 13 29.857 0.300 . 1 . . . . 47 CYS CB . 10325 1 450 . 1 1 47 47 CYS N N 15 120.709 0.300 . 1 . . . . 47 CYS N . 10325 1 451 . 1 1 48 48 THR H H 1 8.806 0.030 . 1 . . . . 48 THR H . 10325 1 452 . 1 1 48 48 THR HA H 1 4.799 0.030 . 1 . . . . 48 THR HA . 10325 1 453 . 1 1 48 48 THR HB H 1 3.863 0.030 . 1 . . . . 48 THR HB . 10325 1 454 . 1 1 48 48 THR HG21 H 1 1.157 0.030 . 1 . . . . 48 THR HG2 . 10325 1 455 . 1 1 48 48 THR HG22 H 1 1.157 0.030 . 1 . . . . 48 THR HG2 . 10325 1 456 . 1 1 48 48 THR HG23 H 1 1.157 0.030 . 1 . . . . 48 THR HG2 . 10325 1 457 . 1 1 48 48 THR C C 13 172.024 0.300 . 1 . . . . 48 THR C . 10325 1 458 . 1 1 48 48 THR CA C 13 61.458 0.300 . 1 . . . . 48 THR CA . 10325 1 459 . 1 1 48 48 THR CB C 13 72.036 0.300 . 1 . . . . 48 THR CB . 10325 1 460 . 1 1 48 48 THR CG2 C 13 21.745 0.300 . 1 . . . . 48 THR CG2 . 10325 1 461 . 1 1 48 48 THR N N 15 125.803 0.300 . 1 . . . . 48 THR N . 10325 1 462 . 1 1 49 49 VAL H H 1 9.211 0.030 . 1 . . . . 49 VAL H . 10325 1 463 . 1 1 49 49 VAL HA H 1 4.558 0.030 . 1 . . . . 49 VAL HA . 10325 1 464 . 1 1 49 49 VAL HB H 1 2.103 0.030 . 1 . . . . 49 VAL HB . 10325 1 465 . 1 1 49 49 VAL HG11 H 1 0.682 0.030 . 1 . . . . 49 VAL HG1 . 10325 1 466 . 1 1 49 49 VAL HG12 H 1 0.682 0.030 . 1 . . . . 49 VAL HG1 . 10325 1 467 . 1 1 49 49 VAL HG13 H 1 0.682 0.030 . 1 . . . . 49 VAL HG1 . 10325 1 468 . 1 1 49 49 VAL HG21 H 1 0.589 0.030 . 1 . . . . 49 VAL HG2 . 10325 1 469 . 1 1 49 49 VAL HG22 H 1 0.589 0.030 . 1 . . . . 49 VAL HG2 . 10325 1 470 . 1 1 49 49 VAL HG23 H 1 0.589 0.030 . 1 . . . . 49 VAL HG2 . 10325 1 471 . 1 1 49 49 VAL C C 13 174.351 0.300 . 1 . . . . 49 VAL C . 10325 1 472 . 1 1 49 49 VAL CA C 13 61.351 0.300 . 1 . . . . 49 VAL CA . 10325 1 473 . 1 1 49 49 VAL CB C 13 33.658 0.300 . 1 . . . . 49 VAL CB . 10325 1 474 . 1 1 49 49 VAL CG1 C 13 21.357 0.300 . 2 . . . . 49 VAL CG1 . 10325 1 475 . 1 1 49 49 VAL CG2 C 13 20.585 0.300 . 2 . . . . 49 VAL CG2 . 10325 1 476 . 1 1 49 49 VAL N N 15 127.099 0.300 . 1 . . . . 49 VAL N . 10325 1 477 . 1 1 50 50 LEU H H 1 9.714 0.030 . 1 . . . . 50 LEU H . 10325 1 478 . 1 1 50 50 LEU HA H 1 5.034 0.030 . 1 . . . . 50 LEU HA . 10325 1 479 . 1 1 50 50 LEU HB2 H 1 1.744 0.030 . 2 . . . . 50 LEU HB2 . 10325 1 480 . 1 1 50 50 LEU HB3 H 1 1.861 0.030 . 2 . . . . 50 LEU HB3 . 10325 1 481 . 1 1 50 50 LEU HD11 H 1 0.886 0.030 . 1 . . . . 50 LEU HD1 . 10325 1 482 . 1 1 50 50 LEU HD12 H 1 0.886 0.030 . 1 . . . . 50 LEU HD1 . 10325 1 483 . 1 1 50 50 LEU HD13 H 1 0.886 0.030 . 1 . . . . 50 LEU HD1 . 10325 1 484 . 1 1 50 50 LEU HD21 H 1 0.917 0.030 . 1 . . . . 50 LEU HD2 . 10325 1 485 . 1 1 50 50 LEU HD22 H 1 0.917 0.030 . 1 . . . . 50 LEU HD2 . 10325 1 486 . 1 1 50 50 LEU HD23 H 1 0.917 0.030 . 1 . . . . 50 LEU HD2 . 10325 1 487 . 1 1 50 50 LEU HG H 1 1.662 0.030 . 1 . . . . 50 LEU HG . 10325 1 488 . 1 1 50 50 LEU C C 13 176.781 0.300 . 1 . . . . 50 LEU C . 10325 1 489 . 1 1 50 50 LEU CA C 13 53.888 0.300 . 1 . . . . 50 LEU CA . 10325 1 490 . 1 1 50 50 LEU CB C 13 43.113 0.300 . 1 . . . . 50 LEU CB . 10325 1 491 . 1 1 50 50 LEU CD1 C 13 24.712 0.300 . 2 . . . . 50 LEU CD1 . 10325 1 492 . 1 1 50 50 LEU CD2 C 13 24.712 0.300 . 2 . . . . 50 LEU CD2 . 10325 1 493 . 1 1 50 50 LEU CG C 13 27.490 0.300 . 1 . . . . 50 LEU CG . 10325 1 494 . 1 1 50 50 LEU N N 15 129.378 0.300 . 1 . . . . 50 LEU N . 10325 1 495 . 1 1 51 51 THR H H 1 8.544 0.030 . 1 . . . . 51 THR H . 10325 1 496 . 1 1 51 51 THR HA H 1 4.139 0.030 . 1 . . . . 51 THR HA . 10325 1 497 . 1 1 51 51 THR HB H 1 4.449 0.030 . 1 . . . . 51 THR HB . 10325 1 498 . 1 1 51 51 THR HG21 H 1 1.415 0.030 . 1 . . . . 51 THR HG2 . 10325 1 499 . 1 1 51 51 THR HG22 H 1 1.415 0.030 . 1 . . . . 51 THR HG2 . 10325 1 500 . 1 1 51 51 THR HG23 H 1 1.415 0.030 . 1 . . . . 51 THR HG2 . 10325 1 501 . 1 1 51 51 THR C C 13 175.221 0.300 . 1 . . . . 51 THR C . 10325 1 502 . 1 1 51 51 THR CA C 13 60.330 0.300 . 1 . . . . 51 THR CA . 10325 1 503 . 1 1 51 51 THR CB C 13 67.979 0.300 . 1 . . . . 51 THR CB . 10325 1 504 . 1 1 51 51 THR CG2 C 13 21.995 0.300 . 1 . . . . 51 THR CG2 . 10325 1 505 . 1 1 51 51 THR N N 15 115.283 0.300 . 1 . . . . 51 THR N . 10325 1 506 . 1 1 52 52 PRO HA H 1 4.333 0.030 . 1 . . . . 52 PRO HA . 10325 1 507 . 1 1 52 52 PRO HB2 H 1 2.481 0.030 . 2 . . . . 52 PRO HB2 . 10325 1 508 . 1 1 52 52 PRO HB3 H 1 1.721 0.030 . 2 . . . . 52 PRO HB3 . 10325 1 509 . 1 1 52 52 PRO HD2 H 1 3.128 0.030 . 2 . . . . 52 PRO HD2 . 10325 1 510 . 1 1 52 52 PRO HD3 H 1 1.898 0.030 . 2 . . . . 52 PRO HD3 . 10325 1 511 . 1 1 52 52 PRO HG2 H 1 1.573 0.030 . 2 . . . . 52 PRO HG2 . 10325 1 512 . 1 1 52 52 PRO HG3 H 1 1.507 0.030 . 2 . . . . 52 PRO HG3 . 10325 1 513 . 1 1 52 52 PRO C C 13 177.313 0.300 . 1 . . . . 52 PRO C . 10325 1 514 . 1 1 52 52 PRO CA C 13 65.313 0.300 . 1 . . . . 52 PRO CA . 10325 1 515 . 1 1 52 52 PRO CB C 13 32.056 0.300 . 1 . . . . 52 PRO CB . 10325 1 516 . 1 1 52 52 PRO CD C 13 50.312 0.300 . 1 . . . . 52 PRO CD . 10325 1 517 . 1 1 52 52 PRO CG C 13 27.250 0.300 . 1 . . . . 52 PRO CG . 10325 1 518 . 1 1 53 53 ASP H H 1 7.359 0.030 . 1 . . . . 53 ASP H . 10325 1 519 . 1 1 53 53 ASP HA H 1 4.654 0.030 . 1 . . . . 53 ASP HA . 10325 1 520 . 1 1 53 53 ASP HB2 H 1 2.628 0.030 . 2 . . . . 53 ASP HB2 . 10325 1 521 . 1 1 53 53 ASP HB3 H 1 2.765 0.030 . 2 . . . . 53 ASP HB3 . 10325 1 522 . 1 1 53 53 ASP C C 13 176.901 0.300 . 1 . . . . 53 ASP C . 10325 1 523 . 1 1 53 53 ASP CA C 13 53.570 0.300 . 1 . . . . 53 ASP CA . 10325 1 524 . 1 1 53 53 ASP CB C 13 40.737 0.300 . 1 . . . . 53 ASP CB . 10325 1 525 . 1 1 53 53 ASP N N 15 112.985 0.300 . 1 . . . . 53 ASP N . 10325 1 526 . 1 1 54 54 GLY H H 1 8.367 0.030 . 1 . . . . 54 GLY H . 10325 1 527 . 1 1 54 54 GLY HA2 H 1 3.617 0.030 . 2 . . . . 54 GLY HA2 . 10325 1 528 . 1 1 54 54 GLY HA3 H 1 4.239 0.030 . 2 . . . . 54 GLY HA3 . 10325 1 529 . 1 1 54 54 GLY C C 13 174.271 0.300 . 1 . . . . 54 GLY C . 10325 1 530 . 1 1 54 54 GLY CA C 13 45.505 0.300 . 1 . . . . 54 GLY CA . 10325 1 531 . 1 1 54 54 GLY N N 15 108.708 0.300 . 1 . . . . 54 GLY N . 10325 1 532 . 1 1 55 55 THR H H 1 7.515 0.030 . 1 . . . . 55 THR H . 10325 1 533 . 1 1 55 55 THR HA H 1 4.785 0.030 . 1 . . . . 55 THR HA . 10325 1 534 . 1 1 55 55 THR HB H 1 4.265 0.030 . 1 . . . . 55 THR HB . 10325 1 535 . 1 1 55 55 THR HG21 H 1 1.149 0.030 . 1 . . . . 55 THR HG2 . 10325 1 536 . 1 1 55 55 THR HG22 H 1 1.149 0.030 . 1 . . . . 55 THR HG2 . 10325 1 537 . 1 1 55 55 THR HG23 H 1 1.149 0.030 . 1 . . . . 55 THR HG2 . 10325 1 538 . 1 1 55 55 THR C C 13 173.818 0.300 . 1 . . . . 55 THR C . 10325 1 539 . 1 1 55 55 THR CA C 13 60.968 0.300 . 1 . . . . 55 THR CA . 10325 1 540 . 1 1 55 55 THR CB C 13 70.442 0.300 . 1 . . . . 55 THR CB . 10325 1 541 . 1 1 55 55 THR CG2 C 13 21.747 0.300 . 1 . . . . 55 THR CG2 . 10325 1 542 . 1 1 55 55 THR N N 15 112.579 0.300 . 1 . . . . 55 THR N . 10325 1 543 . 1 1 56 56 GLU H H 1 8.703 0.030 . 1 . . . . 56 GLU H . 10325 1 544 . 1 1 56 56 GLU HA H 1 5.270 0.030 . 1 . . . . 56 GLU HA . 10325 1 545 . 1 1 56 56 GLU HB2 H 1 1.895 0.030 . 2 . . . . 56 GLU HB2 . 10325 1 546 . 1 1 56 56 GLU HB3 H 1 1.971 0.030 . 2 . . . . 56 GLU HB3 . 10325 1 547 . 1 1 56 56 GLU HG2 H 1 2.103 0.030 . 2 . . . . 56 GLU HG2 . 10325 1 548 . 1 1 56 56 GLU HG3 H 1 2.272 0.030 . 2 . . . . 56 GLU HG3 . 10325 1 549 . 1 1 56 56 GLU C C 13 176.665 0.300 . 1 . . . . 56 GLU C . 10325 1 550 . 1 1 56 56 GLU CA C 13 55.657 0.300 . 1 . . . . 56 GLU CA . 10325 1 551 . 1 1 56 56 GLU CB C 13 31.525 0.300 . 1 . . . . 56 GLU CB . 10325 1 552 . 1 1 56 56 GLU CG C 13 37.194 0.300 . 1 . . . . 56 GLU CG . 10325 1 553 . 1 1 56 56 GLU N N 15 122.483 0.300 . 1 . . . . 56 GLU N . 10325 1 554 . 1 1 57 57 ALA H H 1 9.193 0.030 . 1 . . . . 57 ALA H . 10325 1 555 . 1 1 57 57 ALA HA H 1 4.760 0.030 . 1 . . . . 57 ALA HA . 10325 1 556 . 1 1 57 57 ALA HB1 H 1 1.455 0.030 . 1 . . . . 57 ALA HB . 10325 1 557 . 1 1 57 57 ALA HB2 H 1 1.455 0.030 . 1 . . . . 57 ALA HB . 10325 1 558 . 1 1 57 57 ALA HB3 H 1 1.455 0.030 . 1 . . . . 57 ALA HB . 10325 1 559 . 1 1 57 57 ALA C C 13 176.438 0.300 . 1 . . . . 57 ALA C . 10325 1 560 . 1 1 57 57 ALA CA C 13 50.492 0.300 . 1 . . . . 57 ALA CA . 10325 1 561 . 1 1 57 57 ALA CB C 13 21.035 0.300 . 1 . . . . 57 ALA CB . 10325 1 562 . 1 1 57 57 ALA N N 15 127.751 0.300 . 1 . . . . 57 ALA N . 10325 1 563 . 1 1 58 58 GLU H H 1 8.706 0.030 . 1 . . . . 58 GLU H . 10325 1 564 . 1 1 58 58 GLU HA H 1 4.557 0.030 . 1 . . . . 58 GLU HA . 10325 1 565 . 1 1 58 58 GLU HB2 H 1 2.109 0.030 . 2 . . . . 58 GLU HB2 . 10325 1 566 . 1 1 58 58 GLU HB3 H 1 2.009 0.030 . 2 . . . . 58 GLU HB3 . 10325 1 567 . 1 1 58 58 GLU HG2 H 1 2.398 0.030 . 2 . . . . 58 GLU HG2 . 10325 1 568 . 1 1 58 58 GLU HG3 H 1 2.337 0.030 . 2 . . . . 58 GLU HG3 . 10325 1 569 . 1 1 58 58 GLU C C 13 176.364 0.300 . 1 . . . . 58 GLU C . 10325 1 570 . 1 1 58 58 GLU CA C 13 56.753 0.300 . 1 . . . . 58 GLU CA . 10325 1 571 . 1 1 58 58 GLU CB C 13 30.310 0.300 . 1 . . . . 58 GLU CB . 10325 1 572 . 1 1 58 58 GLU CG C 13 36.419 0.300 . 1 . . . . 58 GLU CG . 10325 1 573 . 1 1 58 58 GLU N N 15 121.521 0.300 . 1 . . . . 58 GLU N . 10325 1 574 . 1 1 59 59 ALA H H 1 8.395 0.030 . 1 . . . . 59 ALA H . 10325 1 575 . 1 1 59 59 ALA HA H 1 4.937 0.030 . 1 . . . . 59 ALA HA . 10325 1 576 . 1 1 59 59 ALA HB1 H 1 1.257 0.030 . 1 . . . . 59 ALA HB . 10325 1 577 . 1 1 59 59 ALA HB2 H 1 1.257 0.030 . 1 . . . . 59 ALA HB . 10325 1 578 . 1 1 59 59 ALA HB3 H 1 1.257 0.030 . 1 . . . . 59 ALA HB . 10325 1 579 . 1 1 59 59 ALA C C 13 176.444 0.300 . 1 . . . . 59 ALA C . 10325 1 580 . 1 1 59 59 ALA CA C 13 50.845 0.300 . 1 . . . . 59 ALA CA . 10325 1 581 . 1 1 59 59 ALA CB C 13 20.275 0.300 . 1 . . . . 59 ALA CB . 10325 1 582 . 1 1 59 59 ALA N N 15 127.702 0.300 . 1 . . . . 59 ALA N . 10325 1 583 . 1 1 60 60 ASP H H 1 8.824 0.030 . 1 . . . . 60 ASP H . 10325 1 584 . 1 1 60 60 ASP HA H 1 4.852 0.030 . 1 . . . . 60 ASP HA . 10325 1 585 . 1 1 60 60 ASP HB2 H 1 2.684 0.030 . 2 . . . . 60 ASP HB2 . 10325 1 586 . 1 1 60 60 ASP HB3 H 1 2.638 0.030 . 2 . . . . 60 ASP HB3 . 10325 1 587 . 1 1 60 60 ASP C C 13 174.427 0.300 . 1 . . . . 60 ASP C . 10325 1 588 . 1 1 60 60 ASP CA C 13 54.454 0.300 . 1 . . . . 60 ASP CA . 10325 1 589 . 1 1 60 60 ASP CB C 13 42.468 0.300 . 1 . . . . 60 ASP CB . 10325 1 590 . 1 1 60 60 ASP N N 15 122.836 0.300 . 1 . . . . 60 ASP N . 10325 1 591 . 1 1 61 61 VAL H H 1 8.305 0.030 . 1 . . . . 61 VAL H . 10325 1 592 . 1 1 61 61 VAL HA H 1 4.571 0.030 . 1 . . . . 61 VAL HA . 10325 1 593 . 1 1 61 61 VAL HB H 1 2.122 0.030 . 1 . . . . 61 VAL HB . 10325 1 594 . 1 1 61 61 VAL HG11 H 1 0.870 0.030 . 1 . . . . 61 VAL HG1 . 10325 1 595 . 1 1 61 61 VAL HG12 H 1 0.870 0.030 . 1 . . . . 61 VAL HG1 . 10325 1 596 . 1 1 61 61 VAL HG13 H 1 0.870 0.030 . 1 . . . . 61 VAL HG1 . 10325 1 597 . 1 1 61 61 VAL HG21 H 1 0.872 0.030 . 1 . . . . 61 VAL HG2 . 10325 1 598 . 1 1 61 61 VAL HG22 H 1 0.872 0.030 . 1 . . . . 61 VAL HG2 . 10325 1 599 . 1 1 61 61 VAL HG23 H 1 0.872 0.030 . 1 . . . . 61 VAL HG2 . 10325 1 600 . 1 1 61 61 VAL C C 13 175.609 0.300 . 1 . . . . 61 VAL C . 10325 1 601 . 1 1 61 61 VAL CA C 13 61.689 0.300 . 1 . . . . 61 VAL CA . 10325 1 602 . 1 1 61 61 VAL CB C 13 33.474 0.300 . 1 . . . . 61 VAL CB . 10325 1 603 . 1 1 61 61 VAL CG1 C 13 21.660 0.300 . 2 . . . . 61 VAL CG1 . 10325 1 604 . 1 1 61 61 VAL CG2 C 13 20.953 0.300 . 2 . . . . 61 VAL CG2 . 10325 1 605 . 1 1 61 61 VAL N N 15 123.058 0.300 . 1 . . . . 61 VAL N . 10325 1 606 . 1 1 62 62 ILE H H 1 9.830 0.030 . 1 . . . . 62 ILE H . 10325 1 607 . 1 1 62 62 ILE HA H 1 4.334 0.030 . 1 . . . . 62 ILE HA . 10325 1 608 . 1 1 62 62 ILE HB H 1 2.128 0.030 . 1 . . . . 62 ILE HB . 10325 1 609 . 1 1 62 62 ILE HD11 H 1 0.929 0.030 . 1 . . . . 62 ILE HD1 . 10325 1 610 . 1 1 62 62 ILE HD12 H 1 0.929 0.030 . 1 . . . . 62 ILE HD1 . 10325 1 611 . 1 1 62 62 ILE HD13 H 1 0.929 0.030 . 1 . . . . 62 ILE HD1 . 10325 1 612 . 1 1 62 62 ILE HG12 H 1 1.545 0.030 . 2 . . . . 62 ILE HG12 . 10325 1 613 . 1 1 62 62 ILE HG13 H 1 1.312 0.030 . 2 . . . . 62 ILE HG13 . 10325 1 614 . 1 1 62 62 ILE HG21 H 1 0.886 0.030 . 1 . . . . 62 ILE HG2 . 10325 1 615 . 1 1 62 62 ILE HG22 H 1 0.886 0.030 . 1 . . . . 62 ILE HG2 . 10325 1 616 . 1 1 62 62 ILE HG23 H 1 0.886 0.030 . 1 . . . . 62 ILE HG2 . 10325 1 617 . 1 1 62 62 ILE C C 13 174.601 0.300 . 1 . . . . 62 ILE C . 10325 1 618 . 1 1 62 62 ILE CA C 13 60.493 0.300 . 1 . . . . 62 ILE CA . 10325 1 619 . 1 1 62 62 ILE CB C 13 39.540 0.300 . 1 . . . . 62 ILE CB . 10325 1 620 . 1 1 62 62 ILE CD1 C 13 13.143 0.300 . 1 . . . . 62 ILE CD1 . 10325 1 621 . 1 1 62 62 ILE CG1 C 13 27.884 0.300 . 1 . . . . 62 ILE CG1 . 10325 1 622 . 1 1 62 62 ILE CG2 C 13 17.943 0.300 . 1 . . . . 62 ILE CG2 . 10325 1 623 . 1 1 62 62 ILE N N 15 131.934 0.300 . 1 . . . . 62 ILE N . 10325 1 624 . 1 1 63 63 GLU H H 1 8.607 0.030 . 1 . . . . 63 GLU H . 10325 1 625 . 1 1 63 63 GLU HA H 1 3.796 0.030 . 1 . . . . 63 GLU HA . 10325 1 626 . 1 1 63 63 GLU HB2 H 1 1.914 0.030 . 2 . . . . 63 GLU HB2 . 10325 1 627 . 1 1 63 63 GLU HB3 H 1 1.975 0.030 . 2 . . . . 63 GLU HB3 . 10325 1 628 . 1 1 63 63 GLU HG2 H 1 1.918 0.030 . 2 . . . . 63 GLU HG2 . 10325 1 629 . 1 1 63 63 GLU HG3 H 1 1.870 0.030 . 2 . . . . 63 GLU HG3 . 10325 1 630 . 1 1 63 63 GLU C C 13 175.536 0.300 . 1 . . . . 63 GLU C . 10325 1 631 . 1 1 63 63 GLU CA C 13 55.607 0.300 . 1 . . . . 63 GLU CA . 10325 1 632 . 1 1 63 63 GLU CB C 13 30.516 0.300 . 1 . . . . 63 GLU CB . 10325 1 633 . 1 1 63 63 GLU CG C 13 35.574 0.300 . 1 . . . . 63 GLU CG . 10325 1 634 . 1 1 63 63 GLU N N 15 127.916 0.300 . 1 . . . . 63 GLU N . 10325 1 635 . 1 1 64 64 ASN H H 1 8.187 0.030 . 1 . . . . 64 ASN H . 10325 1 636 . 1 1 64 64 ASN HA H 1 4.946 0.030 . 1 . . . . 64 ASN HA . 10325 1 637 . 1 1 64 64 ASN HB2 H 1 2.895 0.030 . 2 . . . . 64 ASN HB2 . 10325 1 638 . 1 1 64 64 ASN HB3 H 1 2.676 0.030 . 2 . . . . 64 ASN HB3 . 10325 1 639 . 1 1 64 64 ASN HD21 H 1 6.986 0.030 . 2 . . . . 64 ASN HD21 . 10325 1 640 . 1 1 64 64 ASN HD22 H 1 7.183 0.030 . 2 . . . . 64 ASN HD22 . 10325 1 641 . 1 1 64 64 ASN C C 13 176.689 0.300 . 1 . . . . 64 ASN C . 10325 1 642 . 1 1 64 64 ASN CA C 13 52.685 0.300 . 1 . . . . 64 ASN CA . 10325 1 643 . 1 1 64 64 ASN CB C 13 39.944 0.300 . 1 . . . . 64 ASN CB . 10325 1 644 . 1 1 64 64 ASN N N 15 124.767 0.300 . 1 . . . . 64 ASN N . 10325 1 645 . 1 1 64 64 ASN ND2 N 15 115.294 0.300 . 1 . . . . 64 ASN ND2 . 10325 1 646 . 1 1 65 65 GLU H H 1 8.946 0.030 . 1 . . . . 65 GLU H . 10325 1 647 . 1 1 65 65 GLU HA H 1 4.129 0.030 . 1 . . . . 65 GLU HA . 10325 1 648 . 1 1 65 65 GLU HB2 H 1 2.043 0.030 . 2 . . . . 65 GLU HB2 . 10325 1 649 . 1 1 65 65 GLU HB3 H 1 2.118 0.030 . 2 . . . . 65 GLU HB3 . 10325 1 650 . 1 1 65 65 GLU HG2 H 1 2.285 0.030 . 1 . . . . 65 GLU HG2 . 10325 1 651 . 1 1 65 65 GLU HG3 H 1 2.285 0.030 . 1 . . . . 65 GLU HG3 . 10325 1 652 . 1 1 65 65 GLU C C 13 175.915 0.300 . 1 . . . . 65 GLU C . 10325 1 653 . 1 1 65 65 GLU CA C 13 58.342 0.300 . 1 . . . . 65 GLU CA . 10325 1 654 . 1 1 65 65 GLU CB C 13 29.238 0.300 . 1 . . . . 65 GLU CB . 10325 1 655 . 1 1 65 65 GLU CG C 13 36.462 0.300 . 1 . . . . 65 GLU CG . 10325 1 656 . 1 1 65 65 GLU N N 15 119.907 0.300 . 1 . . . . 65 GLU N . 10325 1 657 . 1 1 66 66 ASP H H 1 7.798 0.030 . 1 . . . . 66 ASP H . 10325 1 658 . 1 1 66 66 ASP HA H 1 4.515 0.030 . 1 . . . . 66 ASP HA . 10325 1 659 . 1 1 66 66 ASP HB2 H 1 2.553 0.030 . 2 . . . . 66 ASP HB2 . 10325 1 660 . 1 1 66 66 ASP HB3 H 1 3.007 0.030 . 2 . . . . 66 ASP HB3 . 10325 1 661 . 1 1 66 66 ASP C C 13 176.823 0.300 . 1 . . . . 66 ASP C . 10325 1 662 . 1 1 66 66 ASP CA C 13 53.074 0.300 . 1 . . . . 66 ASP CA . 10325 1 663 . 1 1 66 66 ASP CB C 13 40.572 0.300 . 1 . . . . 66 ASP CB . 10325 1 664 . 1 1 66 66 ASP N N 15 116.753 0.300 . 1 . . . . 66 ASP N . 10325 1 665 . 1 1 67 67 GLY H H 1 7.719 0.030 . 1 . . . . 67 GLY H . 10325 1 666 . 1 1 67 67 GLY HA2 H 1 3.765 0.030 . 2 . . . . 67 GLY HA2 . 10325 1 667 . 1 1 67 67 GLY HA3 H 1 4.213 0.030 . 2 . . . . 67 GLY HA3 . 10325 1 668 . 1 1 67 67 GLY C C 13 173.100 0.300 . 1 . . . . 67 GLY C . 10325 1 669 . 1 1 67 67 GLY CA C 13 46.106 0.300 . 1 . . . . 67 GLY CA . 10325 1 670 . 1 1 67 67 GLY N N 15 106.772 0.300 . 1 . . . . 67 GLY N . 10325 1 671 . 1 1 68 68 THR H H 1 7.576 0.030 . 1 . . . . 68 THR H . 10325 1 672 . 1 1 68 68 THR HA H 1 5.405 0.030 . 1 . . . . 68 THR HA . 10325 1 673 . 1 1 68 68 THR HB H 1 4.139 0.030 . 1 . . . . 68 THR HB . 10325 1 674 . 1 1 68 68 THR HG21 H 1 1.142 0.030 . 1 . . . . 68 THR HG2 . 10325 1 675 . 1 1 68 68 THR HG22 H 1 1.142 0.030 . 1 . . . . 68 THR HG2 . 10325 1 676 . 1 1 68 68 THR HG23 H 1 1.142 0.030 . 1 . . . . 68 THR HG2 . 10325 1 677 . 1 1 68 68 THR C C 13 173.434 0.300 . 1 . . . . 68 THR C . 10325 1 678 . 1 1 68 68 THR CA C 13 60.078 0.300 . 1 . . . . 68 THR CA . 10325 1 679 . 1 1 68 68 THR CB C 13 72.702 0.300 . 1 . . . . 68 THR CB . 10325 1 680 . 1 1 68 68 THR CG2 C 13 21.596 0.300 . 1 . . . . 68 THR CG2 . 10325 1 681 . 1 1 68 68 THR N N 15 107.935 0.300 . 1 . . . . 68 THR N . 10325 1 682 . 1 1 69 69 TYR H H 1 9.013 0.030 . 1 . . . . 69 TYR H . 10325 1 683 . 1 1 69 69 TYR HA H 1 5.384 0.030 . 1 . . . . 69 TYR HA . 10325 1 684 . 1 1 69 69 TYR HB2 H 1 2.646 0.030 . 2 . . . . 69 TYR HB2 . 10325 1 685 . 1 1 69 69 TYR HB3 H 1 2.511 0.030 . 2 . . . . 69 TYR HB3 . 10325 1 686 . 1 1 69 69 TYR HD1 H 1 6.931 0.030 . 1 . . . . 69 TYR HD1 . 10325 1 687 . 1 1 69 69 TYR HD2 H 1 6.931 0.030 . 1 . . . . 69 TYR HD2 . 10325 1 688 . 1 1 69 69 TYR HE1 H 1 6.864 0.030 . 1 . . . . 69 TYR HE1 . 10325 1 689 . 1 1 69 69 TYR HE2 H 1 6.864 0.030 . 1 . . . . 69 TYR HE2 . 10325 1 690 . 1 1 69 69 TYR C C 13 174.714 0.300 . 1 . . . . 69 TYR C . 10325 1 691 . 1 1 69 69 TYR CA C 13 56.417 0.300 . 1 . . . . 69 TYR CA . 10325 1 692 . 1 1 69 69 TYR CB C 13 41.436 0.300 . 1 . . . . 69 TYR CB . 10325 1 693 . 1 1 69 69 TYR CD1 C 13 132.987 0.300 . 1 . . . . 69 TYR CD1 . 10325 1 694 . 1 1 69 69 TYR CD2 C 13 132.987 0.300 . 1 . . . . 69 TYR CD2 . 10325 1 695 . 1 1 69 69 TYR CE1 C 13 118.291 0.300 . 1 . . . . 69 TYR CE1 . 10325 1 696 . 1 1 69 69 TYR CE2 C 13 118.291 0.300 . 1 . . . . 69 TYR CE2 . 10325 1 697 . 1 1 69 69 TYR N N 15 118.455 0.300 . 1 . . . . 69 TYR N . 10325 1 698 . 1 1 70 70 ASP H H 1 8.896 0.030 . 1 . . . . 70 ASP H . 10325 1 699 . 1 1 70 70 ASP HA H 1 5.036 0.030 . 1 . . . . 70 ASP HA . 10325 1 700 . 1 1 70 70 ASP HB2 H 1 2.399 0.030 . 2 . . . . 70 ASP HB2 . 10325 1 701 . 1 1 70 70 ASP HB3 H 1 2.532 0.030 . 2 . . . . 70 ASP HB3 . 10325 1 702 . 1 1 70 70 ASP C C 13 173.992 0.300 . 1 . . . . 70 ASP C . 10325 1 703 . 1 1 70 70 ASP CA C 13 53.711 0.300 . 1 . . . . 70 ASP CA . 10325 1 704 . 1 1 70 70 ASP CB C 13 43.777 0.300 . 1 . . . . 70 ASP CB . 10325 1 705 . 1 1 70 70 ASP N N 15 123.300 0.300 . 1 . . . . 70 ASP N . 10325 1 706 . 1 1 71 71 ILE H H 1 8.153 0.030 . 1 . . . . 71 ILE H . 10325 1 707 . 1 1 71 71 ILE HA H 1 4.949 0.030 . 1 . . . . 71 ILE HA . 10325 1 708 . 1 1 71 71 ILE HB H 1 -0.197 0.030 . 1 . . . . 71 ILE HB . 10325 1 709 . 1 1 71 71 ILE HD11 H 1 0.433 0.030 . 1 . . . . 71 ILE HD1 . 10325 1 710 . 1 1 71 71 ILE HD12 H 1 0.433 0.030 . 1 . . . . 71 ILE HD1 . 10325 1 711 . 1 1 71 71 ILE HD13 H 1 0.433 0.030 . 1 . . . . 71 ILE HD1 . 10325 1 712 . 1 1 71 71 ILE HG12 H 1 0.755 0.030 . 2 . . . . 71 ILE HG12 . 10325 1 713 . 1 1 71 71 ILE HG13 H 1 1.052 0.030 . 2 . . . . 71 ILE HG13 . 10325 1 714 . 1 1 71 71 ILE HG21 H 1 0.522 0.030 . 1 . . . . 71 ILE HG2 . 10325 1 715 . 1 1 71 71 ILE HG22 H 1 0.522 0.030 . 1 . . . . 71 ILE HG2 . 10325 1 716 . 1 1 71 71 ILE HG23 H 1 0.522 0.030 . 1 . . . . 71 ILE HG2 . 10325 1 717 . 1 1 71 71 ILE C C 13 173.990 0.300 . 1 . . . . 71 ILE C . 10325 1 718 . 1 1 71 71 ILE CA C 13 59.695 0.300 . 1 . . . . 71 ILE CA . 10325 1 719 . 1 1 71 71 ILE CB C 13 38.472 0.300 . 1 . . . . 71 ILE CB . 10325 1 720 . 1 1 71 71 ILE CD1 C 13 14.489 0.300 . 1 . . . . 71 ILE CD1 . 10325 1 721 . 1 1 71 71 ILE CG1 C 13 28.237 0.300 . 1 . . . . 71 ILE CG1 . 10325 1 722 . 1 1 71 71 ILE CG2 C 13 19.349 0.300 . 1 . . . . 71 ILE CG2 . 10325 1 723 . 1 1 71 71 ILE N N 15 122.144 0.300 . 1 . . . . 71 ILE N . 10325 1 724 . 1 1 72 72 PHE H H 1 8.486 0.030 . 1 . . . . 72 PHE H . 10325 1 725 . 1 1 72 72 PHE HA H 1 5.742 0.030 . 1 . . . . 72 PHE HA . 10325 1 726 . 1 1 72 72 PHE HB2 H 1 2.960 0.030 . 2 . . . . 72 PHE HB2 . 10325 1 727 . 1 1 72 72 PHE HB3 H 1 2.721 0.030 . 2 . . . . 72 PHE HB3 . 10325 1 728 . 1 1 72 72 PHE HD1 H 1 6.960 0.030 . 1 . . . . 72 PHE HD1 . 10325 1 729 . 1 1 72 72 PHE HD2 H 1 6.960 0.030 . 1 . . . . 72 PHE HD2 . 10325 1 730 . 1 1 72 72 PHE HE1 H 1 7.160 0.030 . 1 . . . . 72 PHE HE1 . 10325 1 731 . 1 1 72 72 PHE HE2 H 1 7.160 0.030 . 1 . . . . 72 PHE HE2 . 10325 1 732 . 1 1 72 72 PHE HZ H 1 7.179 0.030 . 1 . . . . 72 PHE HZ . 10325 1 733 . 1 1 72 72 PHE C C 13 175.362 0.300 . 1 . . . . 72 PHE C . 10325 1 734 . 1 1 72 72 PHE CA C 13 55.979 0.300 . 1 . . . . 72 PHE CA . 10325 1 735 . 1 1 72 72 PHE CB C 13 44.086 0.300 . 1 . . . . 72 PHE CB . 10325 1 736 . 1 1 72 72 PHE CD1 C 13 132.258 0.300 . 1 . . . . 72 PHE CD1 . 10325 1 737 . 1 1 72 72 PHE CD2 C 13 132.258 0.300 . 1 . . . . 72 PHE CD2 . 10325 1 738 . 1 1 72 72 PHE CE1 C 13 130.926 0.300 . 1 . . . . 72 PHE CE1 . 10325 1 739 . 1 1 72 72 PHE CE2 C 13 130.926 0.300 . 1 . . . . 72 PHE CE2 . 10325 1 740 . 1 1 72 72 PHE CZ C 13 129.340 0.300 . 1 . . . . 72 PHE CZ . 10325 1 741 . 1 1 72 72 PHE N N 15 121.377 0.300 . 1 . . . . 72 PHE N . 10325 1 742 . 1 1 73 73 TYR H H 1 8.960 0.030 . 1 . . . . 73 TYR H . 10325 1 743 . 1 1 73 73 TYR HA H 1 5.004 0.030 . 1 . . . . 73 TYR HA . 10325 1 744 . 1 1 73 73 TYR HB2 H 1 2.998 0.030 . 1 . . . . 73 TYR HB2 . 10325 1 745 . 1 1 73 73 TYR HB3 H 1 2.998 0.030 . 1 . . . . 73 TYR HB3 . 10325 1 746 . 1 1 73 73 TYR HD1 H 1 6.549 0.030 . 1 . . . . 73 TYR HD1 . 10325 1 747 . 1 1 73 73 TYR HD2 H 1 6.549 0.030 . 1 . . . . 73 TYR HD2 . 10325 1 748 . 1 1 73 73 TYR HE1 H 1 6.107 0.030 . 1 . . . . 73 TYR HE1 . 10325 1 749 . 1 1 73 73 TYR HE2 H 1 6.107 0.030 . 1 . . . . 73 TYR HE2 . 10325 1 750 . 1 1 73 73 TYR C C 13 171.836 0.300 . 1 . . . . 73 TYR C . 10325 1 751 . 1 1 73 73 TYR CA C 13 57.248 0.300 . 1 . . . . 73 TYR CA . 10325 1 752 . 1 1 73 73 TYR CB C 13 40.578 0.300 . 1 . . . . 73 TYR CB . 10325 1 753 . 1 1 73 73 TYR CD1 C 13 132.132 0.300 . 1 . . . . 73 TYR CD1 . 10325 1 754 . 1 1 73 73 TYR CD2 C 13 132.132 0.300 . 1 . . . . 73 TYR CD2 . 10325 1 755 . 1 1 73 73 TYR CE1 C 13 116.731 0.300 . 1 . . . . 73 TYR CE1 . 10325 1 756 . 1 1 73 73 TYR CE2 C 13 116.731 0.300 . 1 . . . . 73 TYR CE2 . 10325 1 757 . 1 1 73 73 TYR N N 15 117.380 0.300 . 1 . . . . 73 TYR N . 10325 1 758 . 1 1 74 74 THR H H 1 8.566 0.030 . 1 . . . . 74 THR H . 10325 1 759 . 1 1 74 74 THR HA H 1 4.361 0.030 . 1 . . . . 74 THR HA . 10325 1 760 . 1 1 74 74 THR HB H 1 3.836 0.030 . 1 . . . . 74 THR HB . 10325 1 761 . 1 1 74 74 THR HG21 H 1 0.773 0.030 . 1 . . . . 74 THR HG2 . 10325 1 762 . 1 1 74 74 THR HG22 H 1 0.773 0.030 . 1 . . . . 74 THR HG2 . 10325 1 763 . 1 1 74 74 THR HG23 H 1 0.773 0.030 . 1 . . . . 74 THR HG2 . 10325 1 764 . 1 1 74 74 THR C C 13 173.474 0.300 . 1 . . . . 74 THR C . 10325 1 765 . 1 1 74 74 THR CA C 13 62.069 0.300 . 1 . . . . 74 THR CA . 10325 1 766 . 1 1 74 74 THR CB C 13 70.931 0.300 . 1 . . . . 74 THR CB . 10325 1 767 . 1 1 74 74 THR CG2 C 13 20.094 0.300 . 1 . . . . 74 THR CG2 . 10325 1 768 . 1 1 74 74 THR N N 15 114.226 0.300 . 1 . . . . 74 THR N . 10325 1 769 . 1 1 75 75 ALA H H 1 9.013 0.030 . 1 . . . . 75 ALA H . 10325 1 770 . 1 1 75 75 ALA HA H 1 4.393 0.030 . 1 . . . . 75 ALA HA . 10325 1 771 . 1 1 75 75 ALA HB1 H 1 0.692 0.030 . 1 . . . . 75 ALA HB . 10325 1 772 . 1 1 75 75 ALA HB2 H 1 0.692 0.030 . 1 . . . . 75 ALA HB . 10325 1 773 . 1 1 75 75 ALA HB3 H 1 0.692 0.030 . 1 . . . . 75 ALA HB . 10325 1 774 . 1 1 75 75 ALA C C 13 175.780 0.300 . 1 . . . . 75 ALA C . 10325 1 775 . 1 1 75 75 ALA CA C 13 50.411 0.300 . 1 . . . . 75 ALA CA . 10325 1 776 . 1 1 75 75 ALA CB C 13 17.438 0.300 . 1 . . . . 75 ALA CB . 10325 1 777 . 1 1 75 75 ALA N N 15 132.162 0.300 . 1 . . . . 75 ALA N . 10325 1 778 . 1 1 76 76 ALA H H 1 8.481 0.030 . 1 . . . . 76 ALA H . 10325 1 779 . 1 1 76 76 ALA HA H 1 4.094 0.030 . 1 . . . . 76 ALA HA . 10325 1 780 . 1 1 76 76 ALA HB1 H 1 1.514 0.030 . 1 . . . . 76 ALA HB . 10325 1 781 . 1 1 76 76 ALA HB2 H 1 1.514 0.030 . 1 . . . . 76 ALA HB . 10325 1 782 . 1 1 76 76 ALA HB3 H 1 1.514 0.030 . 1 . . . . 76 ALA HB . 10325 1 783 . 1 1 76 76 ALA C C 13 177.557 0.300 . 1 . . . . 76 ALA C . 10325 1 784 . 1 1 76 76 ALA CA C 13 54.583 0.300 . 1 . . . . 76 ALA CA . 10325 1 785 . 1 1 76 76 ALA CB C 13 19.632 0.300 . 1 . . . . 76 ALA CB . 10325 1 786 . 1 1 76 76 ALA N N 15 126.194 0.300 . 1 . . . . 76 ALA N . 10325 1 787 . 1 1 77 77 LYS H H 1 7.279 0.030 . 1 . . . . 77 LYS H . 10325 1 788 . 1 1 77 77 LYS HA H 1 4.883 0.030 . 1 . . . . 77 LYS HA . 10325 1 789 . 1 1 77 77 LYS HB2 H 1 1.643 0.030 . 2 . . . . 77 LYS HB2 . 10325 1 790 . 1 1 77 77 LYS HB3 H 1 1.923 0.030 . 2 . . . . 77 LYS HB3 . 10325 1 791 . 1 1 77 77 LYS HD2 H 1 1.653 0.030 . 1 . . . . 77 LYS HD2 . 10325 1 792 . 1 1 77 77 LYS HD3 H 1 1.653 0.030 . 1 . . . . 77 LYS HD3 . 10325 1 793 . 1 1 77 77 LYS HE2 H 1 2.980 0.030 . 1 . . . . 77 LYS HE2 . 10325 1 794 . 1 1 77 77 LYS HE3 H 1 2.980 0.030 . 1 . . . . 77 LYS HE3 . 10325 1 795 . 1 1 77 77 LYS HG2 H 1 1.464 0.030 . 1 . . . . 77 LYS HG2 . 10325 1 796 . 1 1 77 77 LYS HG3 H 1 1.464 0.030 . 1 . . . . 77 LYS HG3 . 10325 1 797 . 1 1 77 77 LYS C C 13 173.934 0.300 . 1 . . . . 77 LYS C . 10325 1 798 . 1 1 77 77 LYS CA C 13 52.827 0.300 . 1 . . . . 77 LYS CA . 10325 1 799 . 1 1 77 77 LYS CB C 13 34.225 0.300 . 1 . . . . 77 LYS CB . 10325 1 800 . 1 1 77 77 LYS CD C 13 29.205 0.300 . 1 . . . . 77 LYS CD . 10325 1 801 . 1 1 77 77 LYS CE C 13 41.986 0.300 . 1 . . . . 77 LYS CE . 10325 1 802 . 1 1 77 77 LYS CG C 13 24.532 0.300 . 1 . . . . 77 LYS CG . 10325 1 803 . 1 1 77 77 LYS N N 15 113.306 0.300 . 1 . . . . 77 LYS N . 10325 1 804 . 1 1 78 78 PRO HA H 1 4.322 0.030 . 1 . . . . 78 PRO HA . 10325 1 805 . 1 1 78 78 PRO HB2 H 1 2.031 0.030 . 2 . . . . 78 PRO HB2 . 10325 1 806 . 1 1 78 78 PRO HB3 H 1 2.203 0.030 . 2 . . . . 78 PRO HB3 . 10325 1 807 . 1 1 78 78 PRO HD2 H 1 3.713 0.030 . 2 . . . . 78 PRO HD2 . 10325 1 808 . 1 1 78 78 PRO HD3 H 1 3.870 0.030 . 2 . . . . 78 PRO HD3 . 10325 1 809 . 1 1 78 78 PRO HG2 H 1 2.078 0.030 . 1 . . . . 78 PRO HG2 . 10325 1 810 . 1 1 78 78 PRO HG3 H 1 2.078 0.030 . 1 . . . . 78 PRO HG3 . 10325 1 811 . 1 1 78 78 PRO C C 13 175.314 0.300 . 1 . . . . 78 PRO C . 10325 1 812 . 1 1 78 78 PRO CA C 13 63.075 0.300 . 1 . . . . 78 PRO CA . 10325 1 813 . 1 1 78 78 PRO CB C 13 32.632 0.300 . 1 . . . . 78 PRO CB . 10325 1 814 . 1 1 78 78 PRO CD C 13 50.687 0.300 . 1 . . . . 78 PRO CD . 10325 1 815 . 1 1 78 78 PRO CG C 13 27.369 0.300 . 1 . . . . 78 PRO CG . 10325 1 816 . 1 1 79 79 GLY H H 1 8.553 0.030 . 1 . . . . 79 GLY H . 10325 1 817 . 1 1 79 79 GLY HA2 H 1 3.822 0.030 . 2 . . . . 79 GLY HA2 . 10325 1 818 . 1 1 79 79 GLY HA3 H 1 4.644 0.030 . 2 . . . . 79 GLY HA3 . 10325 1 819 . 1 1 79 79 GLY C C 13 172.543 0.300 . 1 . . . . 79 GLY C . 10325 1 820 . 1 1 79 79 GLY CA C 13 43.794 0.300 . 1 . . . . 79 GLY CA . 10325 1 821 . 1 1 79 79 GLY N N 15 106.874 0.300 . 1 . . . . 79 GLY N . 10325 1 822 . 1 1 80 80 THR H H 1 8.585 0.030 . 1 . . . . 80 THR H . 10325 1 823 . 1 1 80 80 THR HA H 1 4.751 0.030 . 1 . . . . 80 THR HA . 10325 1 824 . 1 1 80 80 THR HB H 1 3.888 0.030 . 1 . . . . 80 THR HB . 10325 1 825 . 1 1 80 80 THR HG21 H 1 1.070 0.030 . 1 . . . . 80 THR HG2 . 10325 1 826 . 1 1 80 80 THR HG22 H 1 1.070 0.030 . 1 . . . . 80 THR HG2 . 10325 1 827 . 1 1 80 80 THR HG23 H 1 1.070 0.030 . 1 . . . . 80 THR HG2 . 10325 1 828 . 1 1 80 80 THR C C 13 173.579 0.300 . 1 . . . . 80 THR C . 10325 1 829 . 1 1 80 80 THR CA C 13 64.323 0.300 . 1 . . . . 80 THR CA . 10325 1 830 . 1 1 80 80 THR CB C 13 69.447 0.300 . 1 . . . . 80 THR CB . 10325 1 831 . 1 1 80 80 THR CG2 C 13 22.661 0.300 . 1 . . . . 80 THR CG2 . 10325 1 832 . 1 1 80 80 THR N N 15 117.486 0.300 . 1 . . . . 80 THR N . 10325 1 833 . 1 1 81 81 TYR H H 1 9.868 0.030 . 1 . . . . 81 TYR H . 10325 1 834 . 1 1 81 81 TYR HA H 1 4.777 0.030 . 1 . . . . 81 TYR HA . 10325 1 835 . 1 1 81 81 TYR HB2 H 1 2.990 0.030 . 2 . . . . 81 TYR HB2 . 10325 1 836 . 1 1 81 81 TYR HB3 H 1 2.369 0.030 . 2 . . . . 81 TYR HB3 . 10325 1 837 . 1 1 81 81 TYR HD1 H 1 7.128 0.030 . 1 . . . . 81 TYR HD1 . 10325 1 838 . 1 1 81 81 TYR HD2 H 1 7.128 0.030 . 1 . . . . 81 TYR HD2 . 10325 1 839 . 1 1 81 81 TYR HE1 H 1 6.905 0.030 . 1 . . . . 81 TYR HE1 . 10325 1 840 . 1 1 81 81 TYR HE2 H 1 6.905 0.030 . 1 . . . . 81 TYR HE2 . 10325 1 841 . 1 1 81 81 TYR C C 13 174.186 0.300 . 1 . . . . 81 TYR C . 10325 1 842 . 1 1 81 81 TYR CA C 13 56.895 0.300 . 1 . . . . 81 TYR CA . 10325 1 843 . 1 1 81 81 TYR CB C 13 40.213 0.300 . 1 . . . . 81 TYR CB . 10325 1 844 . 1 1 81 81 TYR CD1 C 13 133.060 0.300 . 1 . . . . 81 TYR CD1 . 10325 1 845 . 1 1 81 81 TYR CD2 C 13 133.060 0.300 . 1 . . . . 81 TYR CD2 . 10325 1 846 . 1 1 81 81 TYR CE1 C 13 117.497 0.300 . 1 . . . . 81 TYR CE1 . 10325 1 847 . 1 1 81 81 TYR CE2 C 13 117.497 0.300 . 1 . . . . 81 TYR CE2 . 10325 1 848 . 1 1 81 81 TYR N N 15 129.736 0.300 . 1 . . . . 81 TYR N . 10325 1 849 . 1 1 82 82 VAL H H 1 8.297 0.030 . 1 . . . . 82 VAL H . 10325 1 850 . 1 1 82 82 VAL HA H 1 4.768 0.030 . 1 . . . . 82 VAL HA . 10325 1 851 . 1 1 82 82 VAL HB H 1 1.877 0.030 . 1 . . . . 82 VAL HB . 10325 1 852 . 1 1 82 82 VAL HG11 H 1 0.444 0.030 . 1 . . . . 82 VAL HG1 . 10325 1 853 . 1 1 82 82 VAL HG12 H 1 0.444 0.030 . 1 . . . . 82 VAL HG1 . 10325 1 854 . 1 1 82 82 VAL HG13 H 1 0.444 0.030 . 1 . . . . 82 VAL HG1 . 10325 1 855 . 1 1 82 82 VAL HG21 H 1 0.784 0.030 . 1 . . . . 82 VAL HG2 . 10325 1 856 . 1 1 82 82 VAL HG22 H 1 0.784 0.030 . 1 . . . . 82 VAL HG2 . 10325 1 857 . 1 1 82 82 VAL HG23 H 1 0.784 0.030 . 1 . . . . 82 VAL HG2 . 10325 1 858 . 1 1 82 82 VAL C C 13 174.481 0.300 . 1 . . . . 82 VAL C . 10325 1 859 . 1 1 82 82 VAL CA C 13 61.387 0.300 . 1 . . . . 82 VAL CA . 10325 1 860 . 1 1 82 82 VAL CB C 13 33.718 0.300 . 1 . . . . 82 VAL CB . 10325 1 861 . 1 1 82 82 VAL CG1 C 13 22.264 0.300 . 2 . . . . 82 VAL CG1 . 10325 1 862 . 1 1 82 82 VAL CG2 C 13 20.794 0.300 . 2 . . . . 82 VAL CG2 . 10325 1 863 . 1 1 82 82 VAL N N 15 121.276 0.300 . 1 . . . . 82 VAL N . 10325 1 864 . 1 1 83 83 ILE H H 1 9.265 0.030 . 1 . . . . 83 ILE H . 10325 1 865 . 1 1 83 83 ILE HA H 1 4.610 0.030 . 1 . . . . 83 ILE HA . 10325 1 866 . 1 1 83 83 ILE HB H 1 1.818 0.030 . 1 . . . . 83 ILE HB . 10325 1 867 . 1 1 83 83 ILE HD11 H 1 0.394 0.030 . 1 . . . . 83 ILE HD1 . 10325 1 868 . 1 1 83 83 ILE HD12 H 1 0.394 0.030 . 1 . . . . 83 ILE HD1 . 10325 1 869 . 1 1 83 83 ILE HD13 H 1 0.394 0.030 . 1 . . . . 83 ILE HD1 . 10325 1 870 . 1 1 83 83 ILE HG12 H 1 1.193 0.030 . 2 . . . . 83 ILE HG12 . 10325 1 871 . 1 1 83 83 ILE HG13 H 1 0.827 0.030 . 2 . . . . 83 ILE HG13 . 10325 1 872 . 1 1 83 83 ILE HG21 H 1 0.478 0.030 . 1 . . . . 83 ILE HG2 . 10325 1 873 . 1 1 83 83 ILE HG22 H 1 0.478 0.030 . 1 . . . . 83 ILE HG2 . 10325 1 874 . 1 1 83 83 ILE HG23 H 1 0.478 0.030 . 1 . . . . 83 ILE HG2 . 10325 1 875 . 1 1 83 83 ILE C C 13 175.608 0.300 . 1 . . . . 83 ILE C . 10325 1 876 . 1 1 83 83 ILE CA C 13 60.220 0.300 . 1 . . . . 83 ILE CA . 10325 1 877 . 1 1 83 83 ILE CB C 13 39.452 0.300 . 1 . . . . 83 ILE CB . 10325 1 878 . 1 1 83 83 ILE CD1 C 13 13.677 0.300 . 1 . . . . 83 ILE CD1 . 10325 1 879 . 1 1 83 83 ILE CG1 C 13 27.754 0.300 . 1 . . . . 83 ILE CG1 . 10325 1 880 . 1 1 83 83 ILE CG2 C 13 18.198 0.300 . 1 . . . . 83 ILE CG2 . 10325 1 881 . 1 1 83 83 ILE N N 15 127.157 0.300 . 1 . . . . 83 ILE N . 10325 1 882 . 1 1 84 84 TYR H H 1 9.424 0.030 . 1 . . . . 84 TYR H . 10325 1 883 . 1 1 84 84 TYR HA H 1 4.611 0.030 . 1 . . . . 84 TYR HA . 10325 1 884 . 1 1 84 84 TYR HB2 H 1 2.983 0.030 . 2 . . . . 84 TYR HB2 . 10325 1 885 . 1 1 84 84 TYR HB3 H 1 2.626 0.030 . 2 . . . . 84 TYR HB3 . 10325 1 886 . 1 1 84 84 TYR HD1 H 1 7.215 0.030 . 1 . . . . 84 TYR HD1 . 10325 1 887 . 1 1 84 84 TYR HD2 H 1 7.215 0.030 . 1 . . . . 84 TYR HD2 . 10325 1 888 . 1 1 84 84 TYR HE1 H 1 6.655 0.030 . 1 . . . . 84 TYR HE1 . 10325 1 889 . 1 1 84 84 TYR HE2 H 1 6.655 0.030 . 1 . . . . 84 TYR HE2 . 10325 1 890 . 1 1 84 84 TYR C C 13 176.040 0.300 . 1 . . . . 84 TYR C . 10325 1 891 . 1 1 84 84 TYR CA C 13 57.511 0.300 . 1 . . . . 84 TYR CA . 10325 1 892 . 1 1 84 84 TYR CB C 13 38.941 0.300 . 1 . . . . 84 TYR CB . 10325 1 893 . 1 1 84 84 TYR CD1 C 13 133.881 0.300 . 1 . . . . 84 TYR CD1 . 10325 1 894 . 1 1 84 84 TYR CD2 C 13 133.881 0.300 . 1 . . . . 84 TYR CD2 . 10325 1 895 . 1 1 84 84 TYR CE1 C 13 118.173 0.300 . 1 . . . . 84 TYR CE1 . 10325 1 896 . 1 1 84 84 TYR CE2 C 13 118.173 0.300 . 1 . . . . 84 TYR CE2 . 10325 1 897 . 1 1 84 84 TYR N N 15 126.772 0.300 . 1 . . . . 84 TYR N . 10325 1 898 . 1 1 85 85 VAL H H 1 9.462 0.030 . 1 . . . . 85 VAL H . 10325 1 899 . 1 1 85 85 VAL HA H 1 4.742 0.030 . 1 . . . . 85 VAL HA . 10325 1 900 . 1 1 85 85 VAL HB H 1 2.111 0.030 . 1 . . . . 85 VAL HB . 10325 1 901 . 1 1 85 85 VAL HG11 H 1 0.997 0.030 . 1 . . . . 85 VAL HG1 . 10325 1 902 . 1 1 85 85 VAL HG12 H 1 0.997 0.030 . 1 . . . . 85 VAL HG1 . 10325 1 903 . 1 1 85 85 VAL HG13 H 1 0.997 0.030 . 1 . . . . 85 VAL HG1 . 10325 1 904 . 1 1 85 85 VAL HG21 H 1 1.140 0.030 . 1 . . . . 85 VAL HG2 . 10325 1 905 . 1 1 85 85 VAL HG22 H 1 1.140 0.030 . 1 . . . . 85 VAL HG2 . 10325 1 906 . 1 1 85 85 VAL HG23 H 1 1.140 0.030 . 1 . . . . 85 VAL HG2 . 10325 1 907 . 1 1 85 85 VAL C C 13 173.708 0.300 . 1 . . . . 85 VAL C . 10325 1 908 . 1 1 85 85 VAL CA C 13 61.670 0.300 . 1 . . . . 85 VAL CA . 10325 1 909 . 1 1 85 85 VAL CB C 13 33.487 0.300 . 1 . . . . 85 VAL CB . 10325 1 910 . 1 1 85 85 VAL CG1 C 13 23.040 0.300 . 2 . . . . 85 VAL CG1 . 10325 1 911 . 1 1 85 85 VAL CG2 C 13 22.594 0.300 . 2 . . . . 85 VAL CG2 . 10325 1 912 . 1 1 85 85 VAL N N 15 125.259 0.300 . 1 . . . . 85 VAL N . 10325 1 913 . 1 1 86 86 ARG H H 1 8.782 0.030 . 1 . . . . 86 ARG H . 10325 1 914 . 1 1 86 86 ARG HA H 1 5.161 0.030 . 1 . . . . 86 ARG HA . 10325 1 915 . 1 1 86 86 ARG HB2 H 1 1.560 0.030 . 2 . . . . 86 ARG HB2 . 10325 1 916 . 1 1 86 86 ARG HB3 H 1 1.033 0.030 . 2 . . . . 86 ARG HB3 . 10325 1 917 . 1 1 86 86 ARG HD2 H 1 2.729 0.030 . 2 . . . . 86 ARG HD2 . 10325 1 918 . 1 1 86 86 ARG HD3 H 1 2.848 0.030 . 2 . . . . 86 ARG HD3 . 10325 1 919 . 1 1 86 86 ARG HG2 H 1 1.268 0.030 . 2 . . . . 86 ARG HG2 . 10325 1 920 . 1 1 86 86 ARG HG3 H 1 1.220 0.030 . 2 . . . . 86 ARG HG3 . 10325 1 921 . 1 1 86 86 ARG C C 13 174.189 0.300 . 1 . . . . 86 ARG C . 10325 1 922 . 1 1 86 86 ARG CA C 13 54.348 0.300 . 1 . . . . 86 ARG CA . 10325 1 923 . 1 1 86 86 ARG CB C 13 34.308 0.300 . 1 . . . . 86 ARG CB . 10325 1 924 . 1 1 86 86 ARG CD C 13 43.244 0.300 . 1 . . . . 86 ARG CD . 10325 1 925 . 1 1 86 86 ARG CG C 13 29.159 0.300 . 1 . . . . 86 ARG CG . 10325 1 926 . 1 1 86 86 ARG N N 15 125.808 0.300 . 1 . . . . 86 ARG N . 10325 1 927 . 1 1 87 87 PHE H H 1 9.216 0.030 . 1 . . . . 87 PHE H . 10325 1 928 . 1 1 87 87 PHE HA H 1 4.938 0.030 . 1 . . . . 87 PHE HA . 10325 1 929 . 1 1 87 87 PHE HB2 H 1 2.853 0.030 . 2 . . . . 87 PHE HB2 . 10325 1 930 . 1 1 87 87 PHE HB3 H 1 2.735 0.030 . 2 . . . . 87 PHE HB3 . 10325 1 931 . 1 1 87 87 PHE HD1 H 1 6.712 0.030 . 1 . . . . 87 PHE HD1 . 10325 1 932 . 1 1 87 87 PHE HD2 H 1 6.712 0.030 . 1 . . . . 87 PHE HD2 . 10325 1 933 . 1 1 87 87 PHE HE1 H 1 6.944 0.030 . 1 . . . . 87 PHE HE1 . 10325 1 934 . 1 1 87 87 PHE HE2 H 1 6.944 0.030 . 1 . . . . 87 PHE HE2 . 10325 1 935 . 1 1 87 87 PHE HZ H 1 6.862 0.030 . 1 . . . . 87 PHE HZ . 10325 1 936 . 1 1 87 87 PHE C C 13 177.352 0.300 . 1 . . . . 87 PHE C . 10325 1 937 . 1 1 87 87 PHE CA C 13 56.788 0.300 . 1 . . . . 87 PHE CA . 10325 1 938 . 1 1 87 87 PHE CB C 13 42.590 0.300 . 1 . . . . 87 PHE CB . 10325 1 939 . 1 1 87 87 PHE CD1 C 13 130.605 0.300 . 1 . . . . 87 PHE CD1 . 10325 1 940 . 1 1 87 87 PHE CD2 C 13 130.605 0.300 . 1 . . . . 87 PHE CD2 . 10325 1 941 . 1 1 87 87 PHE CE1 C 13 131.512 0.300 . 1 . . . . 87 PHE CE1 . 10325 1 942 . 1 1 87 87 PHE CE2 C 13 131.512 0.300 . 1 . . . . 87 PHE CE2 . 10325 1 943 . 1 1 87 87 PHE CZ C 13 130.478 0.300 . 1 . . . . 87 PHE CZ . 10325 1 944 . 1 1 87 87 PHE N N 15 120.598 0.300 . 1 . . . . 87 PHE N . 10325 1 945 . 1 1 88 88 GLY H H 1 8.428 0.030 . 1 . . . . 88 GLY H . 10325 1 946 . 1 1 88 88 GLY HA2 H 1 3.712 0.030 . 2 . . . . 88 GLY HA2 . 10325 1 947 . 1 1 88 88 GLY HA3 H 1 3.933 0.030 . 2 . . . . 88 GLY HA3 . 10325 1 948 . 1 1 88 88 GLY C C 13 175.190 0.300 . 1 . . . . 88 GLY C . 10325 1 949 . 1 1 88 88 GLY CA C 13 46.991 0.300 . 1 . . . . 88 GLY CA . 10325 1 950 . 1 1 88 88 GLY N N 15 117.802 0.300 . 1 . . . . 88 GLY N . 10325 1 951 . 1 1 89 89 GLY H H 1 8.393 0.030 . 1 . . . . 89 GLY H . 10325 1 952 . 1 1 89 89 GLY HA2 H 1 4.177 0.030 . 2 . . . . 89 GLY HA2 . 10325 1 953 . 1 1 89 89 GLY HA3 H 1 3.384 0.030 . 2 . . . . 89 GLY HA3 . 10325 1 954 . 1 1 89 89 GLY C C 13 173.002 0.300 . 1 . . . . 89 GLY C . 10325 1 955 . 1 1 89 89 GLY CA C 13 44.797 0.300 . 1 . . . . 89 GLY CA . 10325 1 956 . 1 1 89 89 GLY N N 15 102.342 0.300 . 1 . . . . 89 GLY N . 10325 1 957 . 1 1 90 90 VAL H H 1 7.370 0.030 . 1 . . . . 90 VAL H . 10325 1 958 . 1 1 90 90 VAL HA H 1 4.226 0.030 . 1 . . . . 90 VAL HA . 10325 1 959 . 1 1 90 90 VAL HB H 1 2.101 0.030 . 1 . . . . 90 VAL HB . 10325 1 960 . 1 1 90 90 VAL HG11 H 1 1.054 0.030 . 1 . . . . 90 VAL HG1 . 10325 1 961 . 1 1 90 90 VAL HG12 H 1 1.054 0.030 . 1 . . . . 90 VAL HG1 . 10325 1 962 . 1 1 90 90 VAL HG13 H 1 1.054 0.030 . 1 . . . . 90 VAL HG1 . 10325 1 963 . 1 1 90 90 VAL HG21 H 1 0.952 0.030 . 1 . . . . 90 VAL HG2 . 10325 1 964 . 1 1 90 90 VAL HG22 H 1 0.952 0.030 . 1 . . . . 90 VAL HG2 . 10325 1 965 . 1 1 90 90 VAL HG23 H 1 0.952 0.030 . 1 . . . . 90 VAL HG2 . 10325 1 966 . 1 1 90 90 VAL C C 13 175.262 0.300 . 1 . . . . 90 VAL C . 10325 1 967 . 1 1 90 90 VAL CA C 13 61.245 0.300 . 1 . . . . 90 VAL CA . 10325 1 968 . 1 1 90 90 VAL CB C 13 34.331 0.300 . 1 . . . . 90 VAL CB . 10325 1 969 . 1 1 90 90 VAL CG1 C 13 21.194 0.300 . 2 . . . . 90 VAL CG1 . 10325 1 970 . 1 1 90 90 VAL CG2 C 13 21.217 0.300 . 2 . . . . 90 VAL CG2 . 10325 1 971 . 1 1 90 90 VAL N N 15 121.702 0.300 . 1 . . . . 90 VAL N . 10325 1 972 . 1 1 91 91 ASP H H 1 8.655 0.030 . 1 . . . . 91 ASP H . 10325 1 973 . 1 1 91 91 ASP HA H 1 4.793 0.030 . 1 . . . . 91 ASP HA . 10325 1 974 . 1 1 91 91 ASP HB2 H 1 2.479 0.030 . 2 . . . . 91 ASP HB2 . 10325 1 975 . 1 1 91 91 ASP HB3 H 1 2.656 0.030 . 2 . . . . 91 ASP HB3 . 10325 1 976 . 1 1 91 91 ASP C C 13 176.563 0.300 . 1 . . . . 91 ASP C . 10325 1 977 . 1 1 91 91 ASP CA C 13 57.178 0.300 . 1 . . . . 91 ASP CA . 10325 1 978 . 1 1 91 91 ASP CB C 13 42.633 0.300 . 1 . . . . 91 ASP CB . 10325 1 979 . 1 1 91 91 ASP N N 15 126.806 0.300 . 1 . . . . 91 ASP N . 10325 1 980 . 1 1 92 92 ILE H H 1 8.107 0.030 . 1 . . . . 92 ILE H . 10325 1 981 . 1 1 92 92 ILE HA H 1 4.428 0.030 . 1 . . . . 92 ILE HA . 10325 1 982 . 1 1 92 92 ILE HB H 1 2.257 0.030 . 1 . . . . 92 ILE HB . 10325 1 983 . 1 1 92 92 ILE HD11 H 1 0.901 0.030 . 1 . . . . 92 ILE HD1 . 10325 1 984 . 1 1 92 92 ILE HD12 H 1 0.901 0.030 . 1 . . . . 92 ILE HD1 . 10325 1 985 . 1 1 92 92 ILE HD13 H 1 0.901 0.030 . 1 . . . . 92 ILE HD1 . 10325 1 986 . 1 1 92 92 ILE HG12 H 1 1.389 0.030 . 2 . . . . 92 ILE HG12 . 10325 1 987 . 1 1 92 92 ILE HG13 H 1 1.458 0.030 . 2 . . . . 92 ILE HG13 . 10325 1 988 . 1 1 92 92 ILE HG21 H 1 1.058 0.030 . 1 . . . . 92 ILE HG2 . 10325 1 989 . 1 1 92 92 ILE HG22 H 1 1.058 0.030 . 1 . . . . 92 ILE HG2 . 10325 1 990 . 1 1 92 92 ILE HG23 H 1 1.058 0.030 . 1 . . . . 92 ILE HG2 . 10325 1 991 . 1 1 92 92 ILE C C 13 172.914 0.300 . 1 . . . . 92 ILE C . 10325 1 992 . 1 1 92 92 ILE CA C 13 60.538 0.300 . 1 . . . . 92 ILE CA . 10325 1 993 . 1 1 92 92 ILE CB C 13 35.870 0.300 . 1 . . . . 92 ILE CB . 10325 1 994 . 1 1 92 92 ILE CD1 C 13 16.234 0.300 . 1 . . . . 92 ILE CD1 . 10325 1 995 . 1 1 92 92 ILE CG1 C 13 24.752 0.300 . 1 . . . . 92 ILE CG1 . 10325 1 996 . 1 1 92 92 ILE CG2 C 13 18.472 0.300 . 1 . . . . 92 ILE CG2 . 10325 1 997 . 1 1 92 92 ILE N N 15 117.336 0.300 . 1 . . . . 92 ILE N . 10325 1 998 . 1 1 93 93 PRO HA H 1 4.181 0.030 . 1 . . . . 93 PRO HA . 10325 1 999 . 1 1 93 93 PRO HB2 H 1 2.282 0.030 . 2 . . . . 93 PRO HB2 . 10325 1 1000 . 1 1 93 93 PRO HB3 H 1 1.827 0.030 . 2 . . . . 93 PRO HB3 . 10325 1 1001 . 1 1 93 93 PRO HD2 H 1 3.595 0.030 . 2 . . . . 93 PRO HD2 . 10325 1 1002 . 1 1 93 93 PRO HD3 H 1 4.247 0.030 . 2 . . . . 93 PRO HD3 . 10325 1 1003 . 1 1 93 93 PRO HG2 H 1 2.289 0.030 . 2 . . . . 93 PRO HG2 . 10325 1 1004 . 1 1 93 93 PRO HG3 H 1 1.854 0.030 . 2 . . . . 93 PRO HG3 . 10325 1 1005 . 1 1 93 93 PRO C C 13 176.664 0.300 . 1 . . . . 93 PRO C . 10325 1 1006 . 1 1 93 93 PRO CA C 13 65.278 0.300 . 1 . . . . 93 PRO CA . 10325 1 1007 . 1 1 93 93 PRO CB C 13 31.189 0.300 . 1 . . . . 93 PRO CB . 10325 1 1008 . 1 1 93 93 PRO CD C 13 51.274 0.300 . 1 . . . . 93 PRO CD . 10325 1 1009 . 1 1 93 93 PRO CG C 13 28.692 0.300 . 1 . . . . 93 PRO CG . 10325 1 1010 . 1 1 94 94 ASN H H 1 8.375 0.030 . 1 . . . . 94 ASN H . 10325 1 1011 . 1 1 94 94 ASN HA H 1 3.838 0.030 . 1 . . . . 94 ASN HA . 10325 1 1012 . 1 1 94 94 ASN HB2 H 1 2.644 0.030 . 2 . . . . 94 ASN HB2 . 10325 1 1013 . 1 1 94 94 ASN HB3 H 1 3.334 0.030 . 2 . . . . 94 ASN HB3 . 10325 1 1014 . 1 1 94 94 ASN HD21 H 1 7.416 0.030 . 2 . . . . 94 ASN HD21 . 10325 1 1015 . 1 1 94 94 ASN HD22 H 1 7.022 0.030 . 2 . . . . 94 ASN HD22 . 10325 1 1016 . 1 1 94 94 ASN C C 13 171.280 0.300 . 1 . . . . 94 ASN C . 10325 1 1017 . 1 1 94 94 ASN CA C 13 55.586 0.300 . 1 . . . . 94 ASN CA . 10325 1 1018 . 1 1 94 94 ASN CB C 13 37.470 0.300 . 1 . . . . 94 ASN CB . 10325 1 1019 . 1 1 94 94 ASN N N 15 113.797 0.300 . 1 . . . . 94 ASN N . 10325 1 1020 . 1 1 94 94 ASN ND2 N 15 113.949 0.300 . 1 . . . . 94 ASN ND2 . 10325 1 1021 . 1 1 95 95 SER H H 1 7.453 0.030 . 1 . . . . 95 SER H . 10325 1 1022 . 1 1 95 95 SER HA H 1 3.903 0.030 . 1 . . . . 95 SER HA . 10325 1 1023 . 1 1 95 95 SER HB2 H 1 4.166 0.030 . 2 . . . . 95 SER HB2 . 10325 1 1024 . 1 1 95 95 SER HB3 H 1 3.616 0.030 . 2 . . . . 95 SER HB3 . 10325 1 1025 . 1 1 95 95 SER C C 13 174.444 0.300 . 1 . . . . 95 SER C . 10325 1 1026 . 1 1 95 95 SER CA C 13 54.525 0.300 . 1 . . . . 95 SER CA . 10325 1 1027 . 1 1 95 95 SER CB C 13 63.814 0.300 . 1 . . . . 95 SER CB . 10325 1 1028 . 1 1 95 95 SER N N 15 111.491 0.300 . 1 . . . . 95 SER N . 10325 1 1029 . 1 1 96 96 PRO HA H 1 4.967 0.030 . 1 . . . . 96 PRO HA . 10325 1 1030 . 1 1 96 96 PRO HB2 H 1 1.038 0.030 . 2 . . . . 96 PRO HB2 . 10325 1 1031 . 1 1 96 96 PRO HB3 H 1 0.740 0.030 . 2 . . . . 96 PRO HB3 . 10325 1 1032 . 1 1 96 96 PRO HD2 H 1 3.435 0.030 . 2 . . . . 96 PRO HD2 . 10325 1 1033 . 1 1 96 96 PRO HD3 H 1 3.176 0.030 . 2 . . . . 96 PRO HD3 . 10325 1 1034 . 1 1 96 96 PRO HG2 H 1 1.486 0.030 . 1 . . . . 96 PRO HG2 . 10325 1 1035 . 1 1 96 96 PRO HG3 H 1 1.486 0.030 . 1 . . . . 96 PRO HG3 . 10325 1 1036 . 1 1 96 96 PRO C C 13 176.364 0.300 . 1 . . . . 96 PRO C . 10325 1 1037 . 1 1 96 96 PRO CA C 13 61.742 0.300 . 1 . . . . 96 PRO CA . 10325 1 1038 . 1 1 96 96 PRO CB C 13 33.844 0.300 . 1 . . . . 96 PRO CB . 10325 1 1039 . 1 1 96 96 PRO CD C 13 50.125 0.300 . 1 . . . . 96 PRO CD . 10325 1 1040 . 1 1 96 96 PRO CG C 13 24.358 0.300 . 1 . . . . 96 PRO CG . 10325 1 1041 . 1 1 97 97 PHE H H 1 9.228 0.030 . 1 . . . . 97 PHE H . 10325 1 1042 . 1 1 97 97 PHE HA H 1 4.520 0.030 . 1 . . . . 97 PHE HA . 10325 1 1043 . 1 1 97 97 PHE HB2 H 1 2.848 0.030 . 2 . . . . 97 PHE HB2 . 10325 1 1044 . 1 1 97 97 PHE HB3 H 1 2.604 0.030 . 2 . . . . 97 PHE HB3 . 10325 1 1045 . 1 1 97 97 PHE HD1 H 1 7.104 0.030 . 1 . . . . 97 PHE HD1 . 10325 1 1046 . 1 1 97 97 PHE HD2 H 1 7.104 0.030 . 1 . . . . 97 PHE HD2 . 10325 1 1047 . 1 1 97 97 PHE HE1 H 1 6.987 0.030 . 1 . . . . 97 PHE HE1 . 10325 1 1048 . 1 1 97 97 PHE HE2 H 1 6.987 0.030 . 1 . . . . 97 PHE HE2 . 10325 1 1049 . 1 1 97 97 PHE HZ H 1 7.122 0.030 . 1 . . . . 97 PHE HZ . 10325 1 1050 . 1 1 97 97 PHE C C 13 175.394 0.300 . 1 . . . . 97 PHE C . 10325 1 1051 . 1 1 97 97 PHE CA C 13 56.788 0.300 . 1 . . . . 97 PHE CA . 10325 1 1052 . 1 1 97 97 PHE CB C 13 40.261 0.300 . 1 . . . . 97 PHE CB . 10325 1 1053 . 1 1 97 97 PHE CD1 C 13 132.361 0.300 . 1 . . . . 97 PHE CD1 . 10325 1 1054 . 1 1 97 97 PHE CD2 C 13 132.361 0.300 . 1 . . . . 97 PHE CD2 . 10325 1 1055 . 1 1 97 97 PHE CE1 C 13 130.324 0.300 . 1 . . . . 97 PHE CE1 . 10325 1 1056 . 1 1 97 97 PHE CE2 C 13 130.324 0.300 . 1 . . . . 97 PHE CE2 . 10325 1 1057 . 1 1 97 97 PHE CZ C 13 129.546 0.300 . 1 . . . . 97 PHE CZ . 10325 1 1058 . 1 1 97 97 PHE N N 15 122.227 0.300 . 1 . . . . 97 PHE N . 10325 1 1059 . 1 1 98 98 THR H H 1 8.870 0.030 . 1 . . . . 98 THR H . 10325 1 1060 . 1 1 98 98 THR HA H 1 4.908 0.030 . 1 . . . . 98 THR HA . 10325 1 1061 . 1 1 98 98 THR HB H 1 3.918 0.030 . 1 . . . . 98 THR HB . 10325 1 1062 . 1 1 98 98 THR HG21 H 1 1.087 0.030 . 1 . . . . 98 THR HG2 . 10325 1 1063 . 1 1 98 98 THR HG22 H 1 1.087 0.030 . 1 . . . . 98 THR HG2 . 10325 1 1064 . 1 1 98 98 THR HG23 H 1 1.087 0.030 . 1 . . . . 98 THR HG2 . 10325 1 1065 . 1 1 98 98 THR C C 13 174.368 0.300 . 1 . . . . 98 THR C . 10325 1 1066 . 1 1 98 98 THR CA C 13 63.200 0.300 . 1 . . . . 98 THR CA . 10325 1 1067 . 1 1 98 98 THR CB C 13 69.334 0.300 . 1 . . . . 98 THR CB . 10325 1 1068 . 1 1 98 98 THR CG2 C 13 21.634 0.300 . 1 . . . . 98 THR CG2 . 10325 1 1069 . 1 1 98 98 THR N N 15 120.161 0.300 . 1 . . . . 98 THR N . 10325 1 1070 . 1 1 99 99 VAL H H 1 9.305 0.030 . 1 . . . . 99 VAL H . 10325 1 1071 . 1 1 99 99 VAL HA H 1 4.258 0.030 . 1 . . . . 99 VAL HA . 10325 1 1072 . 1 1 99 99 VAL HB H 1 1.767 0.030 . 1 . . . . 99 VAL HB . 10325 1 1073 . 1 1 99 99 VAL HG11 H 1 0.762 0.030 . 1 . . . . 99 VAL HG1 . 10325 1 1074 . 1 1 99 99 VAL HG12 H 1 0.762 0.030 . 1 . . . . 99 VAL HG1 . 10325 1 1075 . 1 1 99 99 VAL HG13 H 1 0.762 0.030 . 1 . . . . 99 VAL HG1 . 10325 1 1076 . 1 1 99 99 VAL HG21 H 1 0.812 0.030 . 1 . . . . 99 VAL HG2 . 10325 1 1077 . 1 1 99 99 VAL HG22 H 1 0.812 0.030 . 1 . . . . 99 VAL HG2 . 10325 1 1078 . 1 1 99 99 VAL HG23 H 1 0.812 0.030 . 1 . . . . 99 VAL HG2 . 10325 1 1079 . 1 1 99 99 VAL C C 13 173.922 0.300 . 1 . . . . 99 VAL C . 10325 1 1080 . 1 1 99 99 VAL CA C 13 61.351 0.300 . 1 . . . . 99 VAL CA . 10325 1 1081 . 1 1 99 99 VAL CB C 13 36.807 0.300 . 1 . . . . 99 VAL CB . 10325 1 1082 . 1 1 99 99 VAL CG1 C 13 21.247 0.300 . 2 . . . . 99 VAL CG1 . 10325 1 1083 . 1 1 99 99 VAL CG2 C 13 19.820 0.300 . 2 . . . . 99 VAL CG2 . 10325 1 1084 . 1 1 99 99 VAL N N 15 131.592 0.300 . 1 . . . . 99 VAL N . 10325 1 1085 . 1 1 100 100 MET H H 1 8.380 0.030 . 1 . . . . 100 MET H . 10325 1 1086 . 1 1 100 100 MET HA H 1 5.162 0.030 . 1 . . . . 100 MET HA . 10325 1 1087 . 1 1 100 100 MET HB2 H 1 2.142 0.030 . 2 . . . . 100 MET HB2 . 10325 1 1088 . 1 1 100 100 MET HB3 H 1 2.069 0.030 . 2 . . . . 100 MET HB3 . 10325 1 1089 . 1 1 100 100 MET HE1 H 1 2.040 0.030 . 1 . . . . 100 MET HE . 10325 1 1090 . 1 1 100 100 MET HE2 H 1 2.040 0.030 . 1 . . . . 100 MET HE . 10325 1 1091 . 1 1 100 100 MET HE3 H 1 2.040 0.030 . 1 . . . . 100 MET HE . 10325 1 1092 . 1 1 100 100 MET HG2 H 1 2.386 0.030 . 2 . . . . 100 MET HG2 . 10325 1 1093 . 1 1 100 100 MET HG3 H 1 2.530 0.030 . 2 . . . . 100 MET HG3 . 10325 1 1094 . 1 1 100 100 MET C C 13 174.589 0.300 . 1 . . . . 100 MET C . 10325 1 1095 . 1 1 100 100 MET CA C 13 53.923 0.300 . 1 . . . . 100 MET CA . 10325 1 1096 . 1 1 100 100 MET CB C 13 33.403 0.300 . 1 . . . . 100 MET CB . 10325 1 1097 . 1 1 100 100 MET CE C 13 16.812 0.300 . 1 . . . . 100 MET CE . 10325 1 1098 . 1 1 100 100 MET CG C 13 32.138 0.300 . 1 . . . . 100 MET CG . 10325 1 1099 . 1 1 100 100 MET N N 15 125.535 0.300 . 1 . . . . 100 MET N . 10325 1 1100 . 1 1 101 101 ALA H H 1 9.603 0.030 . 1 . . . . 101 ALA H . 10325 1 1101 . 1 1 101 101 ALA HA H 1 5.404 0.030 . 1 . . . . 101 ALA HA . 10325 1 1102 . 1 1 101 101 ALA HB1 H 1 1.295 0.030 . 1 . . . . 101 ALA HB . 10325 1 1103 . 1 1 101 101 ALA HB2 H 1 1.295 0.030 . 1 . . . . 101 ALA HB . 10325 1 1104 . 1 1 101 101 ALA HB3 H 1 1.295 0.030 . 1 . . . . 101 ALA HB . 10325 1 1105 . 1 1 101 101 ALA C C 13 178.123 0.300 . 1 . . . . 101 ALA C . 10325 1 1106 . 1 1 101 101 ALA CA C 13 50.174 0.300 . 1 . . . . 101 ALA CA . 10325 1 1107 . 1 1 101 101 ALA CB C 13 21.498 0.300 . 1 . . . . 101 ALA CB . 10325 1 1108 . 1 1 101 101 ALA N N 15 130.189 0.300 . 1 . . . . 101 ALA N . 10325 1 1109 . 1 1 102 102 THR H H 1 9.013 0.030 . 1 . . . . 102 THR H . 10325 1 1110 . 1 1 102 102 THR HA H 1 4.732 0.030 . 1 . . . . 102 THR HA . 10325 1 1111 . 1 1 102 102 THR HB H 1 4.180 0.030 . 1 . . . . 102 THR HB . 10325 1 1112 . 1 1 102 102 THR HG21 H 1 1.137 0.030 . 1 . . . . 102 THR HG2 . 10325 1 1113 . 1 1 102 102 THR HG22 H 1 1.137 0.030 . 1 . . . . 102 THR HG2 . 10325 1 1114 . 1 1 102 102 THR HG23 H 1 1.137 0.030 . 1 . . . . 102 THR HG2 . 10325 1 1115 . 1 1 102 102 THR C C 13 173.227 0.300 . 1 . . . . 102 THR C . 10325 1 1116 . 1 1 102 102 THR CA C 13 59.371 0.300 . 1 . . . . 102 THR CA . 10325 1 1117 . 1 1 102 102 THR CB C 13 71.055 0.300 . 1 . . . . 102 THR CB . 10325 1 1118 . 1 1 102 102 THR CG2 C 13 20.527 0.300 . 1 . . . . 102 THR CG2 . 10325 1 1119 . 1 1 102 102 THR N N 15 116.946 0.300 . 1 . . . . 102 THR N . 10325 1 1120 . 1 1 103 103 ASP H H 1 8.696 0.030 . 1 . . . . 103 ASP H . 10325 1 1121 . 1 1 103 103 ASP HA H 1 4.843 0.030 . 1 . . . . 103 ASP HA . 10325 1 1122 . 1 1 103 103 ASP HB2 H 1 2.730 0.030 . 2 . . . . 103 ASP HB2 . 10325 1 1123 . 1 1 103 103 ASP HB3 H 1 2.635 0.030 . 2 . . . . 103 ASP HB3 . 10325 1 1124 . 1 1 103 103 ASP C C 13 177.146 0.300 . 1 . . . . 103 ASP C . 10325 1 1125 . 1 1 103 103 ASP CA C 13 54.242 0.300 . 1 . . . . 103 ASP CA . 10325 1 1126 . 1 1 103 103 ASP CB C 13 41.314 0.300 . 1 . . . . 103 ASP CB . 10325 1 1127 . 1 1 103 103 ASP N N 15 123.679 0.300 . 1 . . . . 103 ASP N . 10325 1 1128 . 1 1 104 104 GLY H H 1 8.472 0.030 . 1 . . . . 104 GLY H . 10325 1 1129 . 1 1 104 104 GLY HA2 H 1 3.986 0.030 . 2 . . . . 104 GLY HA2 . 10325 1 1130 . 1 1 104 104 GLY HA3 H 1 3.897 0.030 . 2 . . . . 104 GLY HA3 . 10325 1 1131 . 1 1 104 104 GLY C C 13 173.506 0.300 . 1 . . . . 104 GLY C . 10325 1 1132 . 1 1 104 104 GLY CA C 13 45.010 0.300 . 1 . . . . 104 GLY CA . 10325 1 1133 . 1 1 104 104 GLY N N 15 109.503 0.300 . 1 . . . . 104 GLY N . 10325 1 1134 . 1 1 105 105 GLU H H 1 8.367 0.030 . 1 . . . . 105 GLU H . 10325 1 1135 . 1 1 105 105 GLU HA H 1 4.272 0.030 . 1 . . . . 105 GLU HA . 10325 1 1136 . 1 1 105 105 GLU HB2 H 1 1.891 0.030 . 2 . . . . 105 GLU HB2 . 10325 1 1137 . 1 1 105 105 GLU HB3 H 1 2.003 0.030 . 2 . . . . 105 GLU HB3 . 10325 1 1138 . 1 1 105 105 GLU HG2 H 1 2.190 0.030 . 2 . . . . 105 GLU HG2 . 10325 1 1139 . 1 1 105 105 GLU HG3 H 1 2.249 0.030 . 2 . . . . 105 GLU HG3 . 10325 1 1140 . 1 1 105 105 GLU C C 13 176.727 0.300 . 1 . . . . 105 GLU C . 10325 1 1141 . 1 1 105 105 GLU CA C 13 56.187 0.300 . 1 . . . . 105 GLU CA . 10325 1 1142 . 1 1 105 105 GLU CB C 13 30.508 0.300 . 1 . . . . 105 GLU CB . 10325 1 1143 . 1 1 105 105 GLU CG C 13 36.263 0.300 . 1 . . . . 105 GLU CG . 10325 1 1144 . 1 1 105 105 GLU N N 15 120.383 0.300 . 1 . . . . 105 GLU N . 10325 1 stop_ save_