data_18093 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18093 _Entry.Title ; NMR structures of the transmembrane domains of the nAChR a4 subunit ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-11-18 _Entry.Accession_date 2011-11-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 Vasyl Bondarenko . . . 18093 2 David Mowrey . . . 18093 3 Tommy Tillman . . . 18093 4 Tanxing Cui . . . 18093 5 Lu Liu . T. . 18093 6 Yan Xu . . . 18093 7 Pei Tang . . . 18093 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 'not applicable' 'not applicable' . 18093 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Acetylcholine receptor' . 18093 NMR . 18093 'Protein structure' . 18093 'Transmembrane domain' . 18093 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18093 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 567 18093 '15N chemical shifts' 127 18093 '1H chemical shifts' 869 18093 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 2 . . 2013-02-15 2011-11-18 update BMRB 'update entry citation' 18093 1 . . 2012-03-02 2011-11-18 original author 'original release' 18093 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LLY 'BMRB Entry Tracking System' 18093 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18093 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22361591 _Citation.Full_citation . _Citation.Title 'NMR structures of the transmembrane domains of the 42 nAChR.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta' _Citation.Journal_name_full 'Biochimica et biophysica acta' _Citation.Journal_volume 1818 _Citation.Journal_issue 5 _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 1261 _Citation.Page_last 1268 _Citation.Year 2012 _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 Vasyl Bondarenko . . . 18093 1 2 David Mowrey . . . 18093 1 3 Tommy Tillman . . . 18093 1 4 Tanxing Cui . . . 18093 1 5 'Lu Tian' Liu . . . 18093 1 6 Yan Xu . . . 18093 1 7 Pei Tang . . . 18093 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18093 _Assembly.ID 1 _Assembly.Name 'transmembrane domains of the a4b2 nAChR' _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 'transmembrane domains of the a4b2 nAChR' 1 $a4b2_nAchR A . yes native no no . . . 18093 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_a4b2_nAchR _Entity.Sf_category entity _Entity.Sf_framecode a4b2_nAchR _Entity.Entry_ID 18093 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'transmembrane domains of the a4b2 nAChR' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SNAEELPLFYTINLIIPCLL ISCLTVLVFYLPSECGEKIT LCISVLLSLTVFLLLITEII PSTSSVSPSIGEYLLFTMIF VTLSIVITVFVLNVHHRSPE THTGGGGGIDRIFLWMFIIV CLLGTVGLFLPPWLAGE ; _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 137 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14748.773 _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 2LLY . "Nmr Structures Of The Transmembrane Domains Of The Nachr A4 Subunit" . . . . . 100.00 137 100.00 100.00 3.52e-87 . . . . 18093 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 . SER . 18093 1 2 . ASN . 18093 1 3 . ALA . 18093 1 4 . GLU . 18093 1 5 . GLU . 18093 1 6 . LEU . 18093 1 7 . PRO . 18093 1 8 . LEU . 18093 1 9 . PHE . 18093 1 10 . TYR . 18093 1 11 . THR . 18093 1 12 . ILE . 18093 1 13 . ASN . 18093 1 14 . LEU . 18093 1 15 . ILE . 18093 1 16 . ILE . 18093 1 17 . PRO . 18093 1 18 . CYS . 18093 1 19 . LEU . 18093 1 20 . LEU . 18093 1 21 . ILE . 18093 1 22 . SER . 18093 1 23 . CYS . 18093 1 24 . LEU . 18093 1 25 . THR . 18093 1 26 . VAL . 18093 1 27 . LEU . 18093 1 28 . VAL . 18093 1 29 . PHE . 18093 1 30 . TYR . 18093 1 31 . LEU . 18093 1 32 . PRO . 18093 1 33 . SER . 18093 1 34 . GLU . 18093 1 35 . CYS . 18093 1 36 . GLY . 18093 1 37 . GLU . 18093 1 38 . LYS . 18093 1 39 . ILE . 18093 1 40 . THR . 18093 1 41 . LEU . 18093 1 42 . CYS . 18093 1 43 . ILE . 18093 1 44 . SER . 18093 1 45 . VAL . 18093 1 46 . LEU . 18093 1 47 . LEU . 18093 1 48 . SER . 18093 1 49 . LEU . 18093 1 50 . THR . 18093 1 51 . VAL . 18093 1 52 . PHE . 18093 1 53 . LEU . 18093 1 54 . LEU . 18093 1 55 . LEU . 18093 1 56 . ILE . 18093 1 57 . THR . 18093 1 58 . GLU . 18093 1 59 . ILE . 18093 1 60 . ILE . 18093 1 61 . PRO . 18093 1 62 . SER . 18093 1 63 . THR . 18093 1 64 . SER . 18093 1 65 . SER . 18093 1 66 . VAL . 18093 1 67 . SER . 18093 1 68 . PRO . 18093 1 69 . SER . 18093 1 70 . ILE . 18093 1 71 . GLY . 18093 1 72 . GLU . 18093 1 73 . TYR . 18093 1 74 . LEU . 18093 1 75 . LEU . 18093 1 76 . PHE . 18093 1 77 . THR . 18093 1 78 . MET . 18093 1 79 . ILE . 18093 1 80 . PHE . 18093 1 81 . VAL . 18093 1 82 . THR . 18093 1 83 . LEU . 18093 1 84 . SER . 18093 1 85 . ILE . 18093 1 86 . VAL . 18093 1 87 . ILE . 18093 1 88 . THR . 18093 1 89 . VAL . 18093 1 90 . PHE . 18093 1 91 . VAL . 18093 1 92 . LEU . 18093 1 93 . ASN . 18093 1 94 . VAL . 18093 1 95 . HIS . 18093 1 96 . HIS . 18093 1 97 . ARG . 18093 1 98 . SER . 18093 1 99 . PRO . 18093 1 100 . GLU . 18093 1 101 . THR . 18093 1 102 . HIS . 18093 1 103 . THR . 18093 1 104 . GLY . 18093 1 105 . GLY . 18093 1 106 . GLY . 18093 1 107 . GLY . 18093 1 108 . GLY . 18093 1 109 . ILE . 18093 1 110 . ASP . 18093 1 111 . ARG . 18093 1 112 . ILE . 18093 1 113 . PHE . 18093 1 114 . LEU . 18093 1 115 . TRP . 18093 1 116 . MET . 18093 1 117 . PHE . 18093 1 118 . ILE . 18093 1 119 . ILE . 18093 1 120 . VAL . 18093 1 121 . CYS . 18093 1 122 . LEU . 18093 1 123 . LEU . 18093 1 124 . GLY . 18093 1 125 . THR . 18093 1 126 . VAL . 18093 1 127 . GLY . 18093 1 128 . LEU . 18093 1 129 . PHE . 18093 1 130 . LEU . 18093 1 131 . PRO . 18093 1 132 . PRO . 18093 1 133 . TRP . 18093 1 134 . LEU . 18093 1 135 . ALA . 18093 1 136 . GLY . 18093 1 137 . GLU . 18093 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 . SER 1 1 18093 1 . ASN 2 2 18093 1 . ALA 3 3 18093 1 . GLU 4 4 18093 1 . GLU 5 5 18093 1 . LEU 6 6 18093 1 . PRO 7 7 18093 1 . LEU 8 8 18093 1 . PHE 9 9 18093 1 . TYR 10 10 18093 1 . THR 11 11 18093 1 . ILE 12 12 18093 1 . ASN 13 13 18093 1 . LEU 14 14 18093 1 . ILE 15 15 18093 1 . ILE 16 16 18093 1 . PRO 17 17 18093 1 . CYS 18 18 18093 1 . LEU 19 19 18093 1 . LEU 20 20 18093 1 . ILE 21 21 18093 1 . SER 22 22 18093 1 . CYS 23 23 18093 1 . LEU 24 24 18093 1 . THR 25 25 18093 1 . VAL 26 26 18093 1 . LEU 27 27 18093 1 . VAL 28 28 18093 1 . PHE 29 29 18093 1 . TYR 30 30 18093 1 . LEU 31 31 18093 1 . PRO 32 32 18093 1 . SER 33 33 18093 1 . GLU 34 34 18093 1 . CYS 35 35 18093 1 . GLY 36 36 18093 1 . GLU 37 37 18093 1 . LYS 38 38 18093 1 . ILE 39 39 18093 1 . THR 40 40 18093 1 . LEU 41 41 18093 1 . CYS 42 42 18093 1 . ILE 43 43 18093 1 . SER 44 44 18093 1 . VAL 45 45 18093 1 . LEU 46 46 18093 1 . LEU 47 47 18093 1 . SER 48 48 18093 1 . LEU 49 49 18093 1 . THR 50 50 18093 1 . VAL 51 51 18093 1 . PHE 52 52 18093 1 . LEU 53 53 18093 1 . LEU 54 54 18093 1 . LEU 55 55 18093 1 . ILE 56 56 18093 1 . THR 57 57 18093 1 . GLU 58 58 18093 1 . ILE 59 59 18093 1 . ILE 60 60 18093 1 . PRO 61 61 18093 1 . SER 62 62 18093 1 . THR 63 63 18093 1 . SER 64 64 18093 1 . SER 65 65 18093 1 . VAL 66 66 18093 1 . SER 67 67 18093 1 . PRO 68 68 18093 1 . SER 69 69 18093 1 . ILE 70 70 18093 1 . GLY 71 71 18093 1 . GLU 72 72 18093 1 . TYR 73 73 18093 1 . LEU 74 74 18093 1 . LEU 75 75 18093 1 . PHE 76 76 18093 1 . THR 77 77 18093 1 . MET 78 78 18093 1 . ILE 79 79 18093 1 . PHE 80 80 18093 1 . VAL 81 81 18093 1 . THR 82 82 18093 1 . LEU 83 83 18093 1 . SER 84 84 18093 1 . ILE 85 85 18093 1 . VAL 86 86 18093 1 . ILE 87 87 18093 1 . THR 88 88 18093 1 . VAL 89 89 18093 1 . PHE 90 90 18093 1 . VAL 91 91 18093 1 . LEU 92 92 18093 1 . ASN 93 93 18093 1 . VAL 94 94 18093 1 . HIS 95 95 18093 1 . HIS 96 96 18093 1 . ARG 97 97 18093 1 . SER 98 98 18093 1 . PRO 99 99 18093 1 . GLU 100 100 18093 1 . THR 101 101 18093 1 . HIS 102 102 18093 1 . THR 103 103 18093 1 . GLY 104 104 18093 1 . GLY 105 105 18093 1 . GLY 106 106 18093 1 . GLY 107 107 18093 1 . GLY 108 108 18093 1 . ILE 109 109 18093 1 . ASP 110 110 18093 1 . ARG 111 111 18093 1 . ILE 112 112 18093 1 . PHE 113 113 18093 1 . LEU 114 114 18093 1 . TRP 115 115 18093 1 . MET 116 116 18093 1 . PHE 117 117 18093 1 . ILE 118 118 18093 1 . ILE 119 119 18093 1 . VAL 120 120 18093 1 . CYS 121 121 18093 1 . LEU 122 122 18093 1 . LEU 123 123 18093 1 . GLY 124 124 18093 1 . THR 125 125 18093 1 . VAL 126 126 18093 1 . GLY 127 127 18093 1 . LEU 128 128 18093 1 . PHE 129 129 18093 1 . LEU 130 130 18093 1 . PRO 131 131 18093 1 . PRO 132 132 18093 1 . TRP 133 133 18093 1 . LEU 134 134 18093 1 . ALA 135 135 18093 1 . GLY 136 136 18093 1 . GLU 137 137 18093 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 18093 _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 $a4b2_nAchR . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18093 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 18093 _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 $a4b2_nAchR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pTBSG1 . . . . . . 18093 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18093 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 a4b2_nAchR '[U-100% 13C; U-100% 15N]' . . 1 $a4b2_nAchR . . 0.25 . . mM . . . . 18093 1 2 'sodium acetate' 'natural abundance' . . . . . . 5 . . mM . . . . 18093 1 3 LDAO 'natural abundance' . . . . . . 1.5 . . % . . . . 18093 1 4 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 18093 1 5 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 18093 1 6 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 18093 1 7 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 18093 1 8 beta-mercaptoethanol 'natural abundance' . . . . . . 20 . . mM . . . . 18093 1 9 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18093 1 10 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18093 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18093 _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 pH 4.65 . pH 18093 1 pressure 1 . atm 18093 1 temperature 318 . K 18093 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18093 _Software.ID 1 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18093 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18093 1 'structure solution' 18093 1 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 18093 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18093 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18093 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 18093 _NMR_spectrometer.ID 4 _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 18093 _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 . 600 . . . 18093 1 2 spectrometer_2 Bruker Avance . 700 . . . 18093 1 3 spectrometer_3 Bruker Avance . 800 . . . 18093 1 4 spectrometer_4 Bruker Avance . 900 . . . 18093 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 18093 _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 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18093 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 18093 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18093 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18093 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18093 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18093 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18093 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18093 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18093 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . 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 0.00 na indirect 0.251449530 . . . . . . . . . 18093 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18093 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18093 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18093 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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 1H-15N NOESY' . . . 18093 1 2 '3D 1H-13C NOESY' . . . 18093 1 3 '3D HNCA' . . . 18093 1 4 '3D HN(CO)CA' . . . 18093 1 5 '3D CBCA(CO)NH' . . . 18093 1 6 '3D HNCO' . . . 18093 1 7 '2D 1H-15N HSQC' . . . 18093 1 8 '2D 1H-13C HSQC' . . . 18093 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 2 2 ASN HA H 1 4.732 0.007 . 1 . . . . 2 ASN HA . 18093 1 2 . 1 1 2 2 ASN HB2 H 1 2.824 0.015 . 2 . . . . 2 ASN HB2 . 18093 1 3 . 1 1 2 2 ASN HB3 H 1 2.792 0.015 . 2 . . . . 2 ASN HB3 . 18093 1 4 . 1 1 2 2 ASN C C 13 175.227 0.200 . 1 . . . . 2 ASN C . 18093 1 5 . 1 1 2 2 ASN CA C 13 53.626 0.029 . 1 . . . . 2 ASN CA . 18093 1 6 . 1 1 2 2 ASN CB C 13 38.934 0.113 . 1 . . . . 2 ASN CB . 18093 1 7 . 1 1 3 3 ALA H H 1 8.378 0.003 . 1 . . . . 3 ALA H . 18093 1 8 . 1 1 3 3 ALA HA H 1 4.216 0.003 . 1 . . . . 3 ALA HA . 18093 1 9 . 1 1 3 3 ALA HB1 H 1 1.374 0.002 . 1 . . . . 3 ALA QB . 18093 1 10 . 1 1 3 3 ALA HB2 H 1 1.374 0.002 . 1 . . . . 3 ALA QB . 18093 1 11 . 1 1 3 3 ALA HB3 H 1 1.374 0.002 . 1 . . . . 3 ALA QB . 18093 1 12 . 1 1 3 3 ALA C C 13 177.924 0.200 . 1 . . . . 3 ALA C . 18093 1 13 . 1 1 3 3 ALA CA C 13 53.514 0.025 . 1 . . . . 3 ALA CA . 18093 1 14 . 1 1 3 3 ALA CB C 13 19.029 0.061 . 1 . . . . 3 ALA CB . 18093 1 15 . 1 1 3 3 ALA N N 15 124.347 0.020 . 1 . . . . 3 ALA N . 18093 1 16 . 1 1 4 4 GLU H H 1 8.219 0.006 . 1 . . . A 4 GLU H . 18093 1 17 . 1 1 4 4 GLU HA H 1 4.190 0.012 . 1 . . . A 4 GLU HA . 18093 1 18 . 1 1 4 4 GLU HB2 H 1 2.024 0.015 . 2 . . . A 4 GLU HB2 . 18093 1 19 . 1 1 4 4 GLU HB3 H 1 1.967 0.013 . 2 . . . A 4 GLU HB3 . 18093 1 20 . 1 1 4 4 GLU HG2 H 1 2.234 0.005 . 2 . . . A 4 GLU HG2 . 18093 1 21 . 1 1 4 4 GLU C C 13 176.398 0.200 . 1 . . . A 4 GLU C . 18093 1 22 . 1 1 4 4 GLU CA C 13 56.984 0.104 . 1 . . . A 4 GLU CA . 18093 1 23 . 1 1 4 4 GLU CB C 13 29.946 0.097 . 1 . . . A 4 GLU CB . 18093 1 24 . 1 1 4 4 GLU CG C 13 36.014 0.033 . 1 . . . A 4 GLU CG . 18093 1 25 . 1 1 4 4 GLU N N 15 117.721 0.011 . 1 . . . A 4 GLU N . 18093 1 26 . 1 1 5 5 GLU H H 1 8.003 0.003 . 1 . . . A 5 GLU H . 18093 1 27 . 1 1 5 5 GLU HA H 1 4.208 0.008 . 1 . . . A 5 GLU HA . 18093 1 28 . 1 1 5 5 GLU HB2 H 1 2.002 0.016 . 2 . . . A 5 GLU HB2 . 18093 1 29 . 1 1 5 5 GLU HB3 H 1 1.961 0.009 . 2 . . . A 5 GLU HB3 . 18093 1 30 . 1 1 5 5 GLU HG2 H 1 2.254 0.014 . 2 . . . A 5 GLU HG2 . 18093 1 31 . 1 1 5 5 GLU C C 13 176.581 0.200 . 1 . . . A 5 GLU C . 18093 1 32 . 1 1 5 5 GLU CA C 13 57.045 0.099 . 1 . . . A 5 GLU CA . 18093 1 33 . 1 1 5 5 GLU CB C 13 30.038 0.035 . 1 . . . A 5 GLU CB . 18093 1 34 . 1 1 5 5 GLU CG C 13 36.064 0.065 . 1 . . . A 5 GLU CG . 18093 1 35 . 1 1 5 5 GLU N N 15 119.627 0.035 . 1 . . . A 5 GLU N . 18093 1 36 . 1 1 6 6 LEU H H 1 8.104 0.008 . 1 . . . A 6 LEU H . 18093 1 37 . 1 1 6 6 LEU HA H 1 4.425 0.017 . 1 . . . A 6 LEU HA . 18093 1 38 . 1 1 6 6 LEU HB2 H 1 1.708 0.011 . 2 . . . A 6 LEU HB2 . 18093 1 39 . 1 1 6 6 LEU HB3 H 1 1.575 0.015 . 2 . . . A 6 LEU HB3 . 18093 1 40 . 1 1 6 6 LEU HG H 1 1.684 0.015 . 1 . . . A 6 LEU HG . 18093 1 41 . 1 1 6 6 LEU HD11 H 1 0.892 0.009 . 1 . . . A 6 LEU HD11 . 18093 1 42 . 1 1 6 6 LEU HD12 H 1 0.892 0.009 . 1 . . . A 6 LEU HD12 . 18093 1 43 . 1 1 6 6 LEU HD13 H 1 0.892 0.009 . 1 . . . A 6 LEU HD13 . 18093 1 44 . 1 1 6 6 LEU HD21 H 1 0.855 0.002 . 1 . . . A 6 LEU HD21 . 18093 1 45 . 1 1 6 6 LEU HD22 H 1 0.855 0.002 . 1 . . . A 6 LEU HD22 . 18093 1 46 . 1 1 6 6 LEU HD23 H 1 0.855 0.002 . 1 . . . A 6 LEU HD23 . 18093 1 47 . 1 1 6 6 LEU CA C 13 55.635 0.020 . 1 . . . A 6 LEU CA . 18093 1 48 . 1 1 6 6 LEU CB C 13 41.296 0.016 . 1 . . . A 6 LEU CB . 18093 1 49 . 1 1 6 6 LEU CG C 13 27.255 0.008 . 1 . . . A 6 LEU CG . 18093 1 50 . 1 1 6 6 LEU CD1 C 13 24.958 0.224 . 2 . . . A 6 LEU CD1 . 18093 1 51 . 1 1 6 6 LEU CD2 C 13 24.446 0.046 . 2 . . . A 6 LEU CD2 . 18093 1 52 . 1 1 6 6 LEU N N 15 121.267 0.059 . 1 . . . A 6 LEU N . 18093 1 53 . 1 1 7 7 PRO HA H 1 4.399 0.007 . 1 . . . A 7 PRO HA . 18093 1 54 . 1 1 7 7 PRO HB2 H 1 2.271 0.015 . 2 . . . A 7 PRO HB2 . 18093 1 55 . 1 1 7 7 PRO HB3 H 1 1.925 0.006 . 2 . . . A 7 PRO HB3 . 18093 1 56 . 1 1 7 7 PRO HG2 H 1 1.988 0.015 . 2 . . . A 7 PRO HG2 . 18093 1 57 . 1 1 7 7 PRO HG3 H 1 1.729 0.015 . 2 . . . A 7 PRO HG3 . 18093 1 58 . 1 1 7 7 PRO HD2 H 1 3.825 0.005 . 2 . . . A 7 PRO HD2 . 18093 1 59 . 1 1 7 7 PRO HD3 H 1 3.592 0.004 . 2 . . . A 7 PRO HD3 . 18093 1 60 . 1 1 7 7 PRO C C 13 178.408 0.200 . 1 . . . A 7 PRO C . 18093 1 61 . 1 1 7 7 PRO CA C 13 64.712 0.046 . 1 . . . A 7 PRO CA . 18093 1 62 . 1 1 7 7 PRO CB C 13 31.917 0.096 . 1 . . . A 7 PRO CB . 18093 1 63 . 1 1 7 7 PRO CG C 13 27.323 0.080 . 1 . . . A 7 PRO CG . 18093 1 64 . 1 1 7 7 PRO CD C 13 50.272 0.002 . 1 . . . A 7 PRO CD . 18093 1 65 . 1 1 8 8 LEU H H 1 8.162 0.007 . 1 . . . A 8 LEU H . 18093 1 66 . 1 1 8 8 LEU HA H 1 4.089 0.015 . 1 . . . A 8 LEU HA . 18093 1 67 . 1 1 8 8 LEU HB2 H 1 1.720 0.008 . 2 . . . A 8 LEU HB2 . 18093 1 68 . 1 1 8 8 LEU HB3 H 1 1.630 0.007 . 2 . . . A 8 LEU HB3 . 18093 1 69 . 1 1 8 8 LEU HG H 1 1.772 0.015 . 1 . . . A 8 LEU HG . 18093 1 70 . 1 1 8 8 LEU HD11 H 1 0.897 0.018 . 1 . . . A 8 LEU HD11 . 18093 1 71 . 1 1 8 8 LEU HD12 H 1 0.897 0.018 . 1 . . . A 8 LEU HD12 . 18093 1 72 . 1 1 8 8 LEU HD13 H 1 0.897 0.018 . 1 . . . A 8 LEU HD13 . 18093 1 73 . 1 1 8 8 LEU HD21 H 1 0.823 0.015 . 1 . . . A 8 LEU HD21 . 18093 1 74 . 1 1 8 8 LEU HD22 H 1 0.823 0.015 . 1 . . . A 8 LEU HD22 . 18093 1 75 . 1 1 8 8 LEU HD23 H 1 0.823 0.015 . 1 . . . A 8 LEU HD23 . 18093 1 76 . 1 1 8 8 LEU C C 13 177.902 0.200 . 1 . . . A 8 LEU C . 18093 1 77 . 1 1 8 8 LEU CA C 13 58.105 0.014 . 1 . . . A 8 LEU CA . 18093 1 78 . 1 1 8 8 LEU CB C 13 41.607 0.148 . 1 . . . A 8 LEU CB . 18093 1 79 . 1 1 8 8 LEU CG C 13 27.050 0.200 . 1 . . . A 8 LEU CG . 18093 1 80 . 1 1 8 8 LEU CD1 C 13 24.775 0.041 . 2 . . . A 8 LEU CD1 . 18093 1 81 . 1 1 8 8 LEU CD2 C 13 24.833 0.200 . 2 . . . A 8 LEU CD2 . 18093 1 82 . 1 1 8 8 LEU N N 15 121.835 0.040 . 1 . . . A 8 LEU N . 18093 1 83 . 1 1 9 9 PHE H H 1 8.318 0.010 . 1 . . . A 9 PHE H . 18093 1 84 . 1 1 9 9 PHE HA H 1 4.189 0.019 . 1 . . . A 9 PHE HA . 18093 1 85 . 1 1 9 9 PHE HB2 H 1 3.170 0.012 . 2 . . . A 9 PHE HB2 . 18093 1 86 . 1 1 9 9 PHE HB3 H 1 3.042 0.005 . 2 . . . A 9 PHE HB3 . 18093 1 87 . 1 1 9 9 PHE HD1 H 1 7.016 0.015 . 3 . . . A 9 PHE HD1 . 18093 1 88 . 1 1 9 9 PHE HE1 H 1 7.015 0.015 . 3 . . . A 9 PHE HE1 . 18093 1 89 . 1 1 9 9 PHE C C 13 177.596 0.200 . 1 . . . A 9 PHE C . 18093 1 90 . 1 1 9 9 PHE CA C 13 61.114 0.054 . 1 . . . A 9 PHE CA . 18093 1 91 . 1 1 9 9 PHE CB C 13 38.727 0.059 . 1 . . . A 9 PHE CB . 18093 1 92 . 1 1 9 9 PHE CD1 C 13 130.809 0.200 . 3 . . . A 9 PHE CD1 . 18093 1 93 . 1 1 9 9 PHE CE1 C 13 130.171 0.200 . 3 . . . A 9 PHE CE1 . 18093 1 94 . 1 1 9 9 PHE N N 15 118.342 0.071 . 1 . . . A 9 PHE N . 18093 1 95 . 1 1 10 10 TYR H H 1 8.105 0.008 . 1 . . . A 10 TYR H . 18093 1 96 . 1 1 10 10 TYR HA H 1 4.154 0.008 . 1 . . . A 10 TYR HA . 18093 1 97 . 1 1 10 10 TYR HB2 H 1 3.175 0.001 . 2 . . . A 10 TYR HB2 . 18093 1 98 . 1 1 10 10 TYR HB3 H 1 3.048 0.009 . 2 . . . A 10 TYR HB3 . 18093 1 99 . 1 1 10 10 TYR HD1 H 1 7.053 0.007 . 3 . . . A 10 TYR HD1 . 18093 1 100 . 1 1 10 10 TYR HE1 H 1 6.785 0.004 . 3 . . . A 10 TYR HE1 . 18093 1 101 . 1 1 10 10 TYR C C 13 177.630 0.200 . 1 . . . A 10 TYR C . 18093 1 102 . 1 1 10 10 TYR CA C 13 61.036 0.018 . 1 . . . A 10 TYR CA . 18093 1 103 . 1 1 10 10 TYR CB C 13 38.660 0.082 . 1 . . . A 10 TYR CB . 18093 1 104 . 1 1 10 10 TYR CD1 C 13 132.231 0.157 . 3 . . . A 10 TYR CD1 . 18093 1 105 . 1 1 10 10 TYR CE1 C 13 118.513 0.185 . 3 . . . A 10 TYR CE1 . 18093 1 106 . 1 1 10 10 TYR N N 15 117.584 0.056 . 1 . . . A 10 TYR N . 18093 1 107 . 1 1 11 11 THR H H 1 7.915 0.008 . 1 . . . A 11 THR H . 18093 1 108 . 1 1 11 11 THR HA H 1 3.871 0.015 . 1 . . . A 11 THR HA . 18093 1 109 . 1 1 11 11 THR HB H 1 4.296 0.013 . 1 . . . A 11 THR HB . 18093 1 110 . 1 1 11 11 THR HG21 H 1 1.138 0.004 . 1 . . . A 11 THR HG21 . 18093 1 111 . 1 1 11 11 THR HG22 H 1 1.138 0.004 . 1 . . . A 11 THR HG22 . 18093 1 112 . 1 1 11 11 THR HG23 H 1 1.138 0.004 . 1 . . . A 11 THR HG23 . 18093 1 113 . 1 1 11 11 THR C C 13 175.955 0.200 . 1 . . . A 11 THR C . 18093 1 114 . 1 1 11 11 THR CA C 13 67.290 0.093 . 1 . . . A 11 THR CA . 18093 1 115 . 1 1 11 11 THR CB C 13 68.201 0.063 . 1 . . . A 11 THR CB . 18093 1 116 . 1 1 11 11 THR CG2 C 13 21.750 0.024 . 1 . . . A 11 THR CG2 . 18093 1 117 . 1 1 11 11 THR N N 15 115.563 0.036 . 1 . . . A 11 THR N . 18093 1 118 . 1 1 12 12 ILE H H 1 8.186 0.012 . 1 . . . A 12 ILE H . 18093 1 119 . 1 1 12 12 ILE HA H 1 3.699 0.014 . 1 . . . A 12 ILE HA . 18093 1 120 . 1 1 12 12 ILE HB H 1 1.863 0.009 . 1 . . . A 12 ILE HB . 18093 1 121 . 1 1 12 12 ILE HG12 H 1 1.629 0.001 . 2 . . . A 12 ILE HG12 . 18093 1 122 . 1 1 12 12 ILE HG13 H 1 1.179 0.015 . 2 . . . A 12 ILE HG13 . 18093 1 123 . 1 1 12 12 ILE HG21 H 1 0.888 0.001 . 1 . . . A 12 ILE HG21 . 18093 1 124 . 1 1 12 12 ILE HG22 H 1 0.888 0.001 . 1 . . . A 12 ILE HG22 . 18093 1 125 . 1 1 12 12 ILE HG23 H 1 0.888 0.001 . 1 . . . A 12 ILE HG23 . 18093 1 126 . 1 1 12 12 ILE HD11 H 1 0.779 0.002 . 1 . . . A 12 ILE HD11 . 18093 1 127 . 1 1 12 12 ILE HD12 H 1 0.779 0.002 . 1 . . . A 12 ILE HD12 . 18093 1 128 . 1 1 12 12 ILE HD13 H 1 0.779 0.002 . 1 . . . A 12 ILE HD13 . 18093 1 129 . 1 1 12 12 ILE C C 13 175.773 0.200 . 1 . . . A 12 ILE C . 18093 1 130 . 1 1 12 12 ILE CA C 13 64.699 0.062 . 1 . . . A 12 ILE CA . 18093 1 131 . 1 1 12 12 ILE CB C 13 38.096 0.200 . 1 . . . A 12 ILE CB . 18093 1 132 . 1 1 12 12 ILE CG1 C 13 28.146 0.091 . 1 . . . A 12 ILE CG1 . 18093 1 133 . 1 1 12 12 ILE CG2 C 13 17.989 0.036 . 1 . . . A 12 ILE CG2 . 18093 1 134 . 1 1 12 12 ILE CD1 C 13 13.395 0.006 . 1 . . . A 12 ILE CD1 . 18093 1 135 . 1 1 12 12 ILE N N 15 119.727 0.075 . 1 . . . A 12 ILE N . 18093 1 136 . 1 1 13 13 ASN H H 1 7.601 0.013 . 1 . . . A 13 ASN H . 18093 1 137 . 1 1 13 13 ASN HA H 1 4.422 0.001 . 1 . . . A 13 ASN HA . 18093 1 138 . 1 1 13 13 ASN HB3 H 1 2.410 0.005 . 2 . . . A 13 ASN HB3 . 18093 1 139 . 1 1 13 13 ASN C C 13 174.786 0.200 . 1 . . . A 13 ASN C . 18093 1 140 . 1 1 13 13 ASN CA C 13 55.555 0.054 . 1 . . . A 13 ASN CA . 18093 1 141 . 1 1 13 13 ASN CB C 13 39.358 0.188 . 1 . . . A 13 ASN CB . 18093 1 142 . 1 1 13 13 ASN N N 15 114.190 0.104 . 1 . . . A 13 ASN N . 18093 1 143 . 1 1 14 14 LEU H H 1 7.390 0.008 . 1 . . . A 14 LEU H . 18093 1 144 . 1 1 14 14 LEU HA H 1 4.196 0.015 . 1 . . . A 14 LEU HA . 18093 1 145 . 1 1 14 14 LEU HB2 H 1 1.728 0.008 . 2 . . . A 14 LEU HB2 . 18093 1 146 . 1 1 14 14 LEU HB3 H 1 1.612 0.008 . 2 . . . A 14 LEU HB3 . 18093 1 147 . 1 1 14 14 LEU HD11 H 1 0.843 0.009 . 1 . . . A 14 LEU HD11 . 18093 1 148 . 1 1 14 14 LEU HD12 H 1 0.843 0.009 . 1 . . . A 14 LEU HD12 . 18093 1 149 . 1 1 14 14 LEU HD13 H 1 0.843 0.009 . 1 . . . A 14 LEU HD13 . 18093 1 150 . 1 1 14 14 LEU HD21 H 1 0.750 0.015 . 1 . . . A 14 LEU HD21 . 18093 1 151 . 1 1 14 14 LEU HD22 H 1 0.750 0.015 . 1 . . . A 14 LEU HD22 . 18093 1 152 . 1 1 14 14 LEU HD23 H 1 0.750 0.015 . 1 . . . A 14 LEU HD23 . 18093 1 153 . 1 1 14 14 LEU C C 13 177.540 0.200 . 1 . . . A 14 LEU C . 18093 1 154 . 1 1 14 14 LEU CA C 13 56.407 0.086 . 1 . . . A 14 LEU CA . 18093 1 155 . 1 1 14 14 LEU CB C 13 41.842 0.102 . 1 . . . A 14 LEU CB . 18093 1 156 . 1 1 14 14 LEU CD1 C 13 25.178 0.070 . 2 . . . A 14 LEU CD1 . 18093 1 157 . 1 1 14 14 LEU CD2 C 13 24.335 0.026 . 2 . . . A 14 LEU CD2 . 18093 1 158 . 1 1 14 14 LEU N N 15 115.031 0.049 . 1 . . . A 14 LEU N . 18093 1 159 . 1 1 15 15 ILE H H 1 8.123 0.011 . 1 . . . A 15 ILE H . 18093 1 160 . 1 1 15 15 ILE HA H 1 3.613 0.003 . 1 . . . A 15 ILE HA . 18093 1 161 . 1 1 15 15 ILE HB H 1 2.023 0.014 . 1 . . . A 15 ILE HB . 18093 1 162 . 1 1 15 15 ILE HG13 H 1 1.236 0.011 . 2 . . . A 15 ILE HG13 . 18093 1 163 . 1 1 15 15 ILE HG21 H 1 0.855 0.001 . 1 . . . A 15 ILE HG21 . 18093 1 164 . 1 1 15 15 ILE HG22 H 1 0.855 0.001 . 1 . . . A 15 ILE HG22 . 18093 1 165 . 1 1 15 15 ILE HG23 H 1 0.855 0.001 . 1 . . . A 15 ILE HG23 . 18093 1 166 . 1 1 15 15 ILE HD11 H 1 0.732 0.003 . 1 . . . A 15 ILE HD11 . 18093 1 167 . 1 1 15 15 ILE HD12 H 1 0.732 0.003 . 1 . . . A 15 ILE HD12 . 18093 1 168 . 1 1 15 15 ILE HD13 H 1 0.732 0.003 . 1 . . . A 15 ILE HD13 . 18093 1 169 . 1 1 15 15 ILE CA C 13 65.720 0.096 . 1 . . . A 15 ILE CA . 18093 1 170 . 1 1 15 15 ILE CB C 13 37.612 0.002 . 1 . . . A 15 ILE CB . 18093 1 171 . 1 1 15 15 ILE CG1 C 13 28.625 0.200 . 1 . . . A 15 ILE CG1 . 18093 1 172 . 1 1 15 15 ILE CG2 C 13 17.736 0.076 . 1 . . . A 15 ILE CG2 . 18093 1 173 . 1 1 15 15 ILE CD1 C 13 13.505 0.014 . 1 . . . A 15 ILE CD1 . 18093 1 174 . 1 1 15 15 ILE N N 15 118.223 0.091 . 1 . . . A 15 ILE N . 18093 1 175 . 1 1 17 17 PRO HA H 1 4.069 0.004 . 1 . . . A 17 PRO HA . 18093 1 176 . 1 1 17 17 PRO HB2 H 1 2.021 0.003 . 2 . . . A 17 PRO HB2 . 18093 1 177 . 1 1 17 17 PRO HB3 H 1 1.772 0.016 . 2 . . . A 17 PRO HB3 . 18093 1 178 . 1 1 17 17 PRO HG2 H 1 2.310 0.014 . 2 . . . A 17 PRO HG2 . 18093 1 179 . 1 1 17 17 PRO HG3 H 1 1.799 0.015 . 2 . . . A 17 PRO HG3 . 18093 1 180 . 1 1 17 17 PRO HD2 H 1 3.475 0.015 . 2 . . . A 17 PRO HD2 . 18093 1 181 . 1 1 17 17 PRO HD3 H 1 3.415 0.010 . 2 . . . A 17 PRO HD3 . 18093 1 182 . 1 1 17 17 PRO C C 13 177.721 0.200 . 1 . . . A 17 PRO C . 18093 1 183 . 1 1 17 17 PRO CA C 13 66.761 0.051 . 1 . . . A 17 PRO CA . 18093 1 184 . 1 1 17 17 PRO CB C 13 30.742 0.010 . 1 . . . A 17 PRO CB . 18093 1 185 . 1 1 17 17 PRO CG C 13 28.434 0.015 . 1 . . . A 17 PRO CG . 18093 1 186 . 1 1 17 17 PRO CD C 13 50.337 0.035 . 1 . . . A 17 PRO CD . 18093 1 187 . 1 1 18 18 CYS H H 1 7.410 0.011 . 1 . . . A 18 CYS H . 18093 1 188 . 1 1 18 18 CYS HA H 1 4.008 0.008 . 1 . . . A 18 CYS HA . 18093 1 189 . 1 1 18 18 CYS HB2 H 1 3.069 0.004 . 2 . . . A 18 CYS HB2 . 18093 1 190 . 1 1 18 18 CYS HB3 H 1 2.609 0.009 . 2 . . . A 18 CYS HB3 . 18093 1 191 . 1 1 18 18 CYS C C 13 177.683 0.200 . 1 . . . A 18 CYS C . 18093 1 192 . 1 1 18 18 CYS CA C 13 64.500 0.083 . 1 . . . A 18 CYS CA . 18093 1 193 . 1 1 18 18 CYS CB C 13 26.873 0.042 . 1 . . . A 18 CYS CB . 18093 1 194 . 1 1 18 18 CYS N N 15 113.538 0.032 . 1 . . . A 18 CYS N . 18093 1 195 . 1 1 19 19 LEU H H 1 8.635 0.010 . 1 . . . A 19 LEU H . 18093 1 196 . 1 1 19 19 LEU HA H 1 3.999 0.007 . 1 . . . A 19 LEU HA . 18093 1 197 . 1 1 19 19 LEU HB2 H 1 1.764 0.006 . 2 . . . A 19 LEU HB2 . 18093 1 198 . 1 1 19 19 LEU HG H 1 1.733 0.015 . 1 . . . A 19 LEU HG . 18093 1 199 . 1 1 19 19 LEU HD11 H 1 0.796 0.011 . 1 . . . A 19 LEU HD11 . 18093 1 200 . 1 1 19 19 LEU HD12 H 1 0.796 0.011 . 1 . . . A 19 LEU HD12 . 18093 1 201 . 1 1 19 19 LEU HD13 H 1 0.796 0.011 . 1 . . . A 19 LEU HD13 . 18093 1 202 . 1 1 19 19 LEU C C 13 178.608 0.200 . 1 . . . A 19 LEU C . 18093 1 203 . 1 1 19 19 LEU CA C 13 58.421 0.123 . 1 . . . A 19 LEU CA . 18093 1 204 . 1 1 19 19 LEU CB C 13 41.844 0.200 . 1 . . . A 19 LEU CB . 18093 1 205 . 1 1 19 19 LEU CG C 13 26.859 0.200 . 1 . . . A 19 LEU CG . 18093 1 206 . 1 1 19 19 LEU CD1 C 13 25.166 0.200 . 2 . . . A 19 LEU CD1 . 18093 1 207 . 1 1 19 19 LEU N N 15 122.545 0.046 . 1 . . . A 19 LEU N . 18093 1 208 . 1 1 20 20 LEU H H 1 8.392 0.008 . 1 . . . A 20 LEU H . 18093 1 209 . 1 1 20 20 LEU HA H 1 4.006 0.011 . 1 . . . A 20 LEU HA . 18093 1 210 . 1 1 20 20 LEU HB2 H 1 1.759 0.023 . 2 . . . A 20 LEU HB2 . 18093 1 211 . 1 1 20 20 LEU HB3 H 1 1.568 0.010 . 2 . . . A 20 LEU HB3 . 18093 1 212 . 1 1 20 20 LEU HD21 H 1 0.808 0.010 . 1 . . . A 20 LEU HD21 . 18093 1 213 . 1 1 20 20 LEU HD22 H 1 0.808 0.010 . 1 . . . A 20 LEU HD22 . 18093 1 214 . 1 1 20 20 LEU HD23 H 1 0.808 0.010 . 1 . . . A 20 LEU HD23 . 18093 1 215 . 1 1 20 20 LEU C C 13 178.540 0.200 . 1 . . . A 20 LEU C . 18093 1 216 . 1 1 20 20 LEU CA C 13 58.799 0.026 . 1 . . . A 20 LEU CA . 18093 1 217 . 1 1 20 20 LEU CB C 13 41.999 0.142 . 1 . . . A 20 LEU CB . 18093 1 218 . 1 1 20 20 LEU CD2 C 13 24.635 0.117 . 2 . . . A 20 LEU CD2 . 18093 1 219 . 1 1 20 20 LEU N N 15 119.404 0.055 . 1 . . . A 20 LEU N . 18093 1 220 . 1 1 21 21 ILE H H 1 8.403 0.008 . 1 . . . A 21 ILE H . 18093 1 221 . 1 1 21 21 ILE HA H 1 3.651 0.017 . 1 . . . A 21 ILE HA . 18093 1 222 . 1 1 21 21 ILE HB H 1 1.846 0.010 . 1 . . . A 21 ILE HB . 18093 1 223 . 1 1 21 21 ILE HG13 H 1 1.240 0.018 . 2 . . . A 21 ILE HG13 . 18093 1 224 . 1 1 21 21 ILE HG21 H 1 0.859 0.004 . 1 . . . A 21 ILE HG21 . 18093 1 225 . 1 1 21 21 ILE HG22 H 1 0.859 0.004 . 1 . . . A 21 ILE HG22 . 18093 1 226 . 1 1 21 21 ILE HG23 H 1 0.859 0.004 . 1 . . . A 21 ILE HG23 . 18093 1 227 . 1 1 21 21 ILE HD11 H 1 0.800 0.015 . 1 . . . A 21 ILE HD11 . 18093 1 228 . 1 1 21 21 ILE HD12 H 1 0.800 0.015 . 1 . . . A 21 ILE HD12 . 18093 1 229 . 1 1 21 21 ILE HD13 H 1 0.800 0.015 . 1 . . . A 21 ILE HD13 . 18093 1 230 . 1 1 21 21 ILE C C 13 177.249 0.200 . 1 . . . A 21 ILE C . 18093 1 231 . 1 1 21 21 ILE CA C 13 65.261 0.075 . 1 . . . A 21 ILE CA . 18093 1 232 . 1 1 21 21 ILE CB C 13 37.960 0.118 . 1 . . . A 21 ILE CB . 18093 1 233 . 1 1 21 21 ILE CG1 C 13 28.562 0.200 . 1 . . . A 21 ILE CG1 . 18093 1 234 . 1 1 21 21 ILE CG2 C 13 17.567 0.093 . 1 . . . A 21 ILE CG2 . 18093 1 235 . 1 1 21 21 ILE CD1 C 13 12.857 0.200 . 1 . . . A 21 ILE CD1 . 18093 1 236 . 1 1 21 21 ILE N N 15 117.335 0.099 . 1 . . . A 21 ILE N . 18093 1 237 . 1 1 22 22 SER H H 1 8.271 0.009 . 1 . . . A 22 SER H . 18093 1 238 . 1 1 22 22 SER HA H 1 4.056 0.006 . 1 . . . A 22 SER HA . 18093 1 239 . 1 1 22 22 SER HB2 H 1 3.717 0.025 . 2 . . . A 22 SER HB2 . 18093 1 240 . 1 1 22 22 SER C C 13 176.813 0.200 . 1 . . . A 22 SER C . 18093 1 241 . 1 1 22 22 SER CA C 13 63.866 0.096 . 1 . . . A 22 SER CA . 18093 1 242 . 1 1 22 22 SER CB C 13 62.898 0.200 . 1 . . . A 22 SER CB . 18093 1 243 . 1 1 22 22 SER N N 15 116.385 0.111 . 1 . . . A 22 SER N . 18093 1 244 . 1 1 23 23 CYS H H 1 8.161 0.019 . 1 . . . A 23 CYS H . 18093 1 245 . 1 1 23 23 CYS HA H 1 3.990 0.005 . 1 . . . A 23 CYS HA . 18093 1 246 . 1 1 23 23 CYS HB2 H 1 3.111 0.008 . 2 . . . A 23 CYS HB2 . 18093 1 247 . 1 1 23 23 CYS HB3 H 1 2.636 0.020 . 2 . . . A 23 CYS HB3 . 18093 1 248 . 1 1 23 23 CYS C C 13 177.594 0.200 . 1 . . . A 23 CYS C . 18093 1 249 . 1 1 23 23 CYS CA C 13 64.429 0.028 . 1 . . . A 23 CYS CA . 18093 1 250 . 1 1 23 23 CYS CB C 13 26.940 0.026 . 1 . . . A 23 CYS CB . 18093 1 251 . 1 1 23 23 CYS N N 15 119.001 0.224 . 1 . . . A 23 CYS N . 18093 1 252 . 1 1 24 24 LEU H H 1 8.106 0.009 . 1 . . . A 24 LEU H . 18093 1 253 . 1 1 24 24 LEU HA H 1 3.977 0.011 . 1 . . . A 24 LEU HA . 18093 1 254 . 1 1 24 24 LEU HB2 H 1 1.814 0.006 . 2 . . . A 24 LEU HB2 . 18093 1 255 . 1 1 24 24 LEU HB3 H 1 1.683 0.008 . 2 . . . A 24 LEU HB3 . 18093 1 256 . 1 1 24 24 LEU HD11 H 1 0.827 0.011 . 1 . . . A 24 LEU HD11 . 18093 1 257 . 1 1 24 24 LEU HD12 H 1 0.827 0.011 . 1 . . . A 24 LEU HD12 . 18093 1 258 . 1 1 24 24 LEU HD13 H 1 0.827 0.011 . 1 . . . A 24 LEU HD13 . 18093 1 259 . 1 1 24 24 LEU HD21 H 1 0.790 0.015 . 1 . . . A 24 LEU HD21 . 18093 1 260 . 1 1 24 24 LEU HD22 H 1 0.790 0.015 . 1 . . . A 24 LEU HD22 . 18093 1 261 . 1 1 24 24 LEU HD23 H 1 0.790 0.015 . 1 . . . A 24 LEU HD23 . 18093 1 262 . 1 1 24 24 LEU C C 13 177.944 0.200 . 1 . . . A 24 LEU C . 18093 1 263 . 1 1 24 24 LEU CA C 13 58.287 0.041 . 1 . . . A 24 LEU CA . 18093 1 264 . 1 1 24 24 LEU CB C 13 41.903 0.122 . 1 . . . A 24 LEU CB . 18093 1 265 . 1 1 24 24 LEU CD1 C 13 24.681 0.200 . 2 . . . A 24 LEU CD1 . 18093 1 266 . 1 1 24 24 LEU CD2 C 13 24.259 0.200 . 2 . . . A 24 LEU CD2 . 18093 1 267 . 1 1 24 24 LEU N N 15 117.814 0.061 . 1 . . . A 24 LEU N . 18093 1 268 . 1 1 25 25 THR H H 1 7.924 0.013 . 1 . . . A 25 THR H . 18093 1 269 . 1 1 25 25 THR HA H 1 3.687 0.015 . 1 . . . A 25 THR HA . 18093 1 270 . 1 1 25 25 THR HG21 H 1 1.220 0.010 . 1 . . . A 25 THR HG21 . 18093 1 271 . 1 1 25 25 THR HG22 H 1 1.220 0.010 . 1 . . . A 25 THR HG22 . 18093 1 272 . 1 1 25 25 THR HG23 H 1 1.220 0.010 . 1 . . . A 25 THR HG23 . 18093 1 273 . 1 1 25 25 THR C C 13 175.845 0.200 . 1 . . . A 25 THR C . 18093 1 274 . 1 1 25 25 THR CA C 13 68.306 0.064 . 1 . . . A 25 THR CA . 18093 1 275 . 1 1 25 25 THR CG2 C 13 22.191 0.200 . 1 . . . A 25 THR CG2 . 18093 1 276 . 1 1 25 25 THR N N 15 115.670 0.094 . 1 . . . A 25 THR N . 18093 1 277 . 1 1 26 26 VAL H H 1 7.764 0.014 . 1 . . . A 26 VAL H . 18093 1 278 . 1 1 26 26 VAL HA H 1 3.515 0.005 . 1 . . . A 26 VAL HA . 18093 1 279 . 1 1 26 26 VAL HB H 1 2.239 0.011 . 1 . . . A 26 VAL HB . 18093 1 280 . 1 1 26 26 VAL HG11 H 1 1.094 0.002 . 1 . . . A 26 VAL HG11 . 18093 1 281 . 1 1 26 26 VAL HG12 H 1 1.094 0.002 . 1 . . . A 26 VAL HG12 . 18093 1 282 . 1 1 26 26 VAL HG13 H 1 1.094 0.002 . 1 . . . A 26 VAL HG13 . 18093 1 283 . 1 1 26 26 VAL HG21 H 1 0.899 0.015 . 1 . . . A 26 VAL HG21 . 18093 1 284 . 1 1 26 26 VAL HG22 H 1 0.899 0.015 . 1 . . . A 26 VAL HG22 . 18093 1 285 . 1 1 26 26 VAL HG23 H 1 0.899 0.015 . 1 . . . A 26 VAL HG23 . 18093 1 286 . 1 1 26 26 VAL C C 13 177.530 0.200 . 1 . . . A 26 VAL C . 18093 1 287 . 1 1 26 26 VAL CA C 13 67.281 0.154 . 1 . . . A 26 VAL CA . 18093 1 288 . 1 1 26 26 VAL CB C 13 31.724 0.058 . 1 . . . A 26 VAL CB . 18093 1 289 . 1 1 26 26 VAL CG1 C 13 23.312 0.104 . 2 . . . A 26 VAL CG1 . 18093 1 290 . 1 1 26 26 VAL CG2 C 13 21.720 0.200 . 2 . . . A 26 VAL CG2 . 18093 1 291 . 1 1 26 26 VAL N N 15 118.809 0.114 . 1 . . . A 26 VAL N . 18093 1 292 . 1 1 27 27 LEU H H 1 7.912 0.008 . 1 . . . A 27 LEU H . 18093 1 293 . 1 1 27 27 LEU HA H 1 4.036 0.010 . 1 . . . A 27 LEU HA . 18093 1 294 . 1 1 27 27 LEU HB2 H 1 1.896 0.019 . 2 . . . A 27 LEU HB2 . 18093 1 295 . 1 1 27 27 LEU HG H 1 1.864 0.015 . 1 . . . A 27 LEU HG . 18093 1 296 . 1 1 27 27 LEU HD11 H 1 0.855 0.001 . 1 . . . A 27 LEU HD11 . 18093 1 297 . 1 1 27 27 LEU HD12 H 1 0.855 0.001 . 1 . . . A 27 LEU HD12 . 18093 1 298 . 1 1 27 27 LEU HD13 H 1 0.855 0.001 . 1 . . . A 27 LEU HD13 . 18093 1 299 . 1 1 27 27 LEU HD21 H 1 0.807 0.015 . 1 . . . A 27 LEU HD21 . 18093 1 300 . 1 1 27 27 LEU HD22 H 1 0.807 0.015 . 1 . . . A 27 LEU HD22 . 18093 1 301 . 1 1 27 27 LEU HD23 H 1 0.807 0.015 . 1 . . . A 27 LEU HD23 . 18093 1 302 . 1 1 27 27 LEU C C 13 178.163 0.200 . 1 . . . A 27 LEU C . 18093 1 303 . 1 1 27 27 LEU CA C 13 58.509 0.096 . 1 . . . A 27 LEU CA . 18093 1 304 . 1 1 27 27 LEU CB C 13 41.919 0.082 . 1 . . . A 27 LEU CB . 18093 1 305 . 1 1 27 27 LEU CG C 13 26.783 0.200 . 1 . . . A 27 LEU CG . 18093 1 306 . 1 1 27 27 LEU CD1 C 13 25.896 0.124 . 2 . . . A 27 LEU CD1 . 18093 1 307 . 1 1 27 27 LEU CD2 C 13 24.951 0.200 . 2 . . . A 27 LEU CD2 . 18093 1 308 . 1 1 27 27 LEU N N 15 117.958 0.103 . 1 . . . A 27 LEU N . 18093 1 309 . 1 1 28 28 VAL H H 1 7.892 0.014 . 1 . . . A 28 VAL H . 18093 1 310 . 1 1 28 28 VAL HA H 1 3.535 0.014 . 1 . . . A 28 VAL HA . 18093 1 311 . 1 1 28 28 VAL HB H 1 2.046 0.016 . 1 . . . A 28 VAL HB . 18093 1 312 . 1 1 28 28 VAL HG11 H 1 0.923 0.012 . 1 . . . A 28 VAL HG11 . 18093 1 313 . 1 1 28 28 VAL HG12 H 1 0.923 0.012 . 1 . . . A 28 VAL HG12 . 18093 1 314 . 1 1 28 28 VAL HG13 H 1 0.923 0.012 . 1 . . . A 28 VAL HG13 . 18093 1 315 . 1 1 28 28 VAL HG21 H 1 0.601 0.005 . 1 . . . A 28 VAL HG21 . 18093 1 316 . 1 1 28 28 VAL HG22 H 1 0.601 0.005 . 1 . . . A 28 VAL HG22 . 18093 1 317 . 1 1 28 28 VAL HG23 H 1 0.601 0.005 . 1 . . . A 28 VAL HG23 . 18093 1 318 . 1 1 28 28 VAL C C 13 176.871 0.200 . 1 . . . A 28 VAL C . 18093 1 319 . 1 1 28 28 VAL CA C 13 65.977 0.067 . 1 . . . A 28 VAL CA . 18093 1 320 . 1 1 28 28 VAL CB C 13 31.934 0.200 . 1 . . . A 28 VAL CB . 18093 1 321 . 1 1 28 28 VAL CG1 C 13 22.692 0.229 . 2 . . . A 28 VAL CG1 . 18093 1 322 . 1 1 28 28 VAL CG2 C 13 21.907 0.174 . 2 . . . A 28 VAL CG2 . 18093 1 323 . 1 1 28 28 VAL N N 15 114.472 0.132 . 1 . . . A 28 VAL N . 18093 1 324 . 1 1 29 29 PHE H H 1 7.748 0.006 . 1 . . . A 29 PHE H . 18093 1 325 . 1 1 29 29 PHE HA H 1 4.203 0.011 . 1 . . . A 29 PHE HA . 18093 1 326 . 1 1 29 29 PHE HB2 H 1 2.927 0.009 . 2 . . . A 29 PHE HB2 . 18093 1 327 . 1 1 29 29 PHE HB3 H 1 2.846 0.010 . 2 . . . A 29 PHE HB3 . 18093 1 328 . 1 1 29 29 PHE HD1 H 1 7.244 0.016 . 3 . . . A 29 PHE HD1 . 18093 1 329 . 1 1 29 29 PHE HE1 H 1 7.108 0.015 . 3 . . . A 29 PHE HE1 . 18093 1 330 . 1 1 29 29 PHE C C 13 176.614 0.200 . 1 . . . A 29 PHE C . 18093 1 331 . 1 1 29 29 PHE CA C 13 60.964 0.061 . 1 . . . A 29 PHE CA . 18093 1 332 . 1 1 29 29 PHE CB C 13 39.752 0.008 . 1 . . . A 29 PHE CB . 18093 1 333 . 1 1 29 29 PHE CD1 C 13 131.651 0.100 . 3 . . . A 29 PHE CD1 . 18093 1 334 . 1 1 29 29 PHE CE1 C 13 130.277 0.200 . 3 . . . A 29 PHE CE1 . 18093 1 335 . 1 1 29 29 PHE N N 15 115.206 0.149 . 1 . . . A 29 PHE N . 18093 1 336 . 1 1 30 30 TYR H H 1 7.985 0.008 . 1 . . . A 30 TYR H . 18093 1 337 . 1 1 30 30 TYR HA H 1 4.322 0.015 . 1 . . . A 30 TYR HA . 18093 1 338 . 1 1 30 30 TYR HB2 H 1 2.920 0.015 . 2 . . . A 30 TYR HB2 . 18093 1 339 . 1 1 30 30 TYR HB3 H 1 2.824 0.011 . 2 . . . A 30 TYR HB3 . 18093 1 340 . 1 1 30 30 TYR HD1 H 1 7.238 0.010 . 3 . . . A 30 TYR HD1 . 18093 1 341 . 1 1 30 30 TYR HE1 H 1 6.707 0.015 . 3 . . . A 30 TYR HE1 . 18093 1 342 . 1 1 30 30 TYR C C 13 175.553 0.200 . 1 . . . A 30 TYR C . 18093 1 343 . 1 1 30 30 TYR CA C 13 59.598 0.108 . 1 . . . A 30 TYR CA . 18093 1 344 . 1 1 30 30 TYR CB C 13 39.763 0.025 . 1 . . . A 30 TYR CB . 18093 1 345 . 1 1 30 30 TYR CD1 C 13 132.743 0.200 . 3 . . . A 30 TYR CD1 . 18093 1 346 . 1 1 30 30 TYR CE1 C 13 118.127 0.200 . 3 . . . A 30 TYR CE1 . 18093 1 347 . 1 1 30 30 TYR N N 15 115.975 0.139 . 1 . . . A 30 TYR N . 18093 1 348 . 1 1 31 31 LEU H H 1 7.643 0.010 . 1 . . . A 31 LEU H . 18093 1 349 . 1 1 31 31 LEU HA H 1 4.427 0.015 . 1 . . . A 31 LEU HA . 18093 1 350 . 1 1 31 31 LEU HB2 H 1 1.806 0.001 . 2 . . . A 31 LEU HB2 . 18093 1 351 . 1 1 31 31 LEU HD11 H 1 0.839 0.008 . 1 . . . A 31 LEU HD11 . 18093 1 352 . 1 1 31 31 LEU HD12 H 1 0.839 0.008 . 1 . . . A 31 LEU HD12 . 18093 1 353 . 1 1 31 31 LEU HD13 H 1 0.839 0.008 . 1 . . . A 31 LEU HD13 . 18093 1 354 . 1 1 31 31 LEU CA C 13 54.665 0.067 . 1 . . . A 31 LEU CA . 18093 1 355 . 1 1 31 31 LEU CB C 13 42.388 0.200 . 1 . . . A 31 LEU CB . 18093 1 356 . 1 1 31 31 LEU CD1 C 13 23.607 0.200 . 2 . . . A 31 LEU CD1 . 18093 1 357 . 1 1 31 31 LEU N N 15 120.780 0.105 . 1 . . . A 31 LEU N . 18093 1 358 . 1 1 32 32 PRO HD2 H 1 3.692 0.007 . 2 . . . A 32 PRO HD2 . 18093 1 359 . 1 1 32 32 PRO HD3 H 1 3.503 0.006 . 2 . . . A 32 PRO HD3 . 18093 1 360 . 1 1 32 32 PRO CD C 13 50.332 0.039 . 1 . . . A 32 PRO CD . 18093 1 361 . 1 1 34 34 GLU C C 13 176.271 0.200 . 1 . . . A 34 GLU C . 18093 1 362 . 1 1 34 34 GLU CA C 13 57.590 0.200 . 1 . . . A 34 GLU CA . 18093 1 363 . 1 1 35 35 CYS H H 1 7.970 0.012 . 1 . . . A 35 CYS H . 18093 1 364 . 1 1 35 35 CYS HA H 1 4.367 0.017 . 1 . . . A 35 CYS HA . 18093 1 365 . 1 1 35 35 CYS HB2 H 1 2.923 0.009 . 2 . . . A 35 CYS HB2 . 18093 1 366 . 1 1 35 35 CYS HB3 H 1 2.861 0.011 . 2 . . . A 35 CYS HB3 . 18093 1 367 . 1 1 35 35 CYS C C 13 175.198 0.200 . 1 . . . A 35 CYS C . 18093 1 368 . 1 1 35 35 CYS CA C 13 60.293 0.153 . 1 . . . A 35 CYS CA . 18093 1 369 . 1 1 35 35 CYS CB C 13 28.130 0.015 . 1 . . . A 35 CYS CB . 18093 1 370 . 1 1 35 35 CYS N N 15 116.430 0.230 . 1 . . . A 35 CYS N . 18093 1 371 . 1 1 36 36 GLY H H 1 8.120 0.013 . 1 . . . A 36 GLY H . 18093 1 372 . 1 1 36 36 GLY HA2 H 1 3.878 0.013 . 2 . . . A 36 GLY HA2 . 18093 1 373 . 1 1 36 36 GLY C C 13 174.610 0.200 . 1 . . . A 36 GLY C . 18093 1 374 . 1 1 36 36 GLY CA C 13 46.004 0.200 . 1 . . . A 36 GLY CA . 18093 1 375 . 1 1 36 36 GLY N N 15 108.315 0.035 . 1 . . . A 36 GLY N . 18093 1 376 . 1 1 37 37 GLU H H 1 8.423 0.006 . 1 . . . A 37 GLU H . 18093 1 377 . 1 1 37 37 GLU HA H 1 4.047 0.010 . 1 . . . A 37 GLU HA . 18093 1 378 . 1 1 37 37 GLU HB2 H 1 2.132 0.007 . 2 . . . A 37 GLU HB2 . 18093 1 379 . 1 1 37 37 GLU HG2 H 1 2.300 0.015 . 2 . . . A 37 GLU HG2 . 18093 1 380 . 1 1 37 37 GLU C C 13 177.338 0.200 . 1 . . . A 37 GLU C . 18093 1 381 . 1 1 37 37 GLU CA C 13 58.507 0.075 . 1 . . . A 37 GLU CA . 18093 1 382 . 1 1 37 37 GLU CB C 13 29.570 0.200 . 1 . . . A 37 GLU CB . 18093 1 383 . 1 1 37 37 GLU CG C 13 35.899 0.200 . 1 . . . A 37 GLU CG . 18093 1 384 . 1 1 37 37 GLU N N 15 121.347 0.038 . 1 . . . A 37 GLU N . 18093 1 385 . 1 1 38 38 LYS H H 1 8.211 0.008 . 1 . . . A 38 LYS H . 18093 1 386 . 1 1 38 38 LYS HA H 1 4.196 0.009 . 1 . . . A 38 LYS HA . 18093 1 387 . 1 1 38 38 LYS HB2 H 1 1.858 0.014 . 2 . . . A 38 LYS HB2 . 18093 1 388 . 1 1 38 38 LYS HG2 H 1 1.434 0.012 . 2 . . . A 38 LYS HG2 . 18093 1 389 . 1 1 38 38 LYS HG3 H 1 1.390 0.007 . 2 . . . A 38 LYS HG3 . 18093 1 390 . 1 1 38 38 LYS HD2 H 1 1.629 0.013 . 2 . . . A 38 LYS HD2 . 18093 1 391 . 1 1 38 38 LYS HE2 H 1 2.961 0.002 . 2 . . . A 38 LYS HE2 . 18093 1 392 . 1 1 38 38 LYS C C 13 177.976 0.200 . 1 . . . A 38 LYS C . 18093 1 393 . 1 1 38 38 LYS CA C 13 58.273 0.055 . 1 . . . A 38 LYS CA . 18093 1 394 . 1 1 38 38 LYS CB C 13 31.649 0.200 . 1 . . . A 38 LYS CB . 18093 1 395 . 1 1 38 38 LYS CG C 13 24.849 0.072 . 1 . . . A 38 LYS CG . 18093 1 396 . 1 1 38 38 LYS CD C 13 29.138 0.200 . 1 . . . A 38 LYS CD . 18093 1 397 . 1 1 38 38 LYS CE C 13 42.177 0.028 . 1 . . . A 38 LYS CE . 18093 1 398 . 1 1 38 38 LYS N N 15 123.788 0.093 . 1 . . . A 38 LYS N . 18093 1 399 . 1 1 39 39 ILE H H 1 7.933 0.012 . 1 . . . A 39 ILE H . 18093 1 400 . 1 1 39 39 ILE HA H 1 3.608 0.013 . 1 . . . A 39 ILE HA . 18093 1 401 . 1 1 39 39 ILE HG21 H 1 0.860 0.014 . 1 . . . A 39 ILE HG21 . 18093 1 402 . 1 1 39 39 ILE HG22 H 1 0.860 0.014 . 1 . . . A 39 ILE HG22 . 18093 1 403 . 1 1 39 39 ILE HG23 H 1 0.860 0.014 . 1 . . . A 39 ILE HG23 . 18093 1 404 . 1 1 39 39 ILE HD11 H 1 0.827 0.001 . 1 . . . A 39 ILE HD11 . 18093 1 405 . 1 1 39 39 ILE HD12 H 1 0.827 0.001 . 1 . . . A 39 ILE HD12 . 18093 1 406 . 1 1 39 39 ILE HD13 H 1 0.827 0.001 . 1 . . . A 39 ILE HD13 . 18093 1 407 . 1 1 39 39 ILE C C 13 177.204 0.200 . 1 . . . A 39 ILE C . 18093 1 408 . 1 1 39 39 ILE CA C 13 65.501 0.125 . 1 . . . A 39 ILE CA . 18093 1 409 . 1 1 39 39 ILE CG2 C 13 17.896 0.148 . 1 . . . A 39 ILE CG2 . 18093 1 410 . 1 1 39 39 ILE CD1 C 13 12.991 0.008 . 1 . . . A 39 ILE CD1 . 18093 1 411 . 1 1 39 39 ILE N N 15 115.675 0.092 . 1 . . . A 39 ILE N . 18093 1 412 . 1 1 40 40 THR H H 1 8.362 0.013 . 1 . . . A 40 THR H . 18093 1 413 . 1 1 40 40 THR HA H 1 3.844 0.013 . 1 . . . A 40 THR HA . 18093 1 414 . 1 1 40 40 THR HG21 H 1 1.161 0.003 . 1 . . . A 40 THR HG21 . 18093 1 415 . 1 1 40 40 THR HG22 H 1 1.161 0.003 . 1 . . . A 40 THR HG22 . 18093 1 416 . 1 1 40 40 THR HG23 H 1 1.161 0.003 . 1 . . . A 40 THR HG23 . 18093 1 417 . 1 1 40 40 THR C C 13 175.983 0.200 . 1 . . . A 40 THR C . 18093 1 418 . 1 1 40 40 THR CA C 13 67.360 0.107 . 1 . . . A 40 THR CA . 18093 1 419 . 1 1 40 40 THR CG2 C 13 21.542 0.040 . 1 . . . A 40 THR CG2 . 18093 1 420 . 1 1 40 40 THR N N 15 117.411 0.183 . 1 . . . A 40 THR N . 18093 1 421 . 1 1 41 41 LEU H H 1 8.282 0.015 . 1 . . . A 41 LEU H . 18093 1 422 . 1 1 41 41 LEU HA H 1 4.016 0.015 . 1 . . . A 41 LEU HA . 18093 1 423 . 1 1 41 41 LEU HB2 H 1 1.728 0.003 . 2 . . . A 41 LEU HB2 . 18093 1 424 . 1 1 41 41 LEU HB3 H 1 1.616 0.002 . 2 . . . A 41 LEU HB3 . 18093 1 425 . 1 1 41 41 LEU HD11 H 1 0.850 0.004 . 1 . . . A 41 LEU HD11 . 18093 1 426 . 1 1 41 41 LEU HD12 H 1 0.850 0.004 . 1 . . . A 41 LEU HD12 . 18093 1 427 . 1 1 41 41 LEU HD13 H 1 0.850 0.004 . 1 . . . A 41 LEU HD13 . 18093 1 428 . 1 1 41 41 LEU C C 13 178.914 0.200 . 1 . . . A 41 LEU C . 18093 1 429 . 1 1 41 41 LEU CA C 13 58.366 0.200 . 1 . . . A 41 LEU CA . 18093 1 430 . 1 1 41 41 LEU CB C 13 42.050 0.121 . 1 . . . A 41 LEU CB . 18093 1 431 . 1 1 41 41 LEU CD1 C 13 24.928 0.200 . 2 . . . A 41 LEU CD1 . 18093 1 432 . 1 1 41 41 LEU N N 15 123.059 0.157 . 1 . . . A 41 LEU N . 18093 1 433 . 1 1 42 42 CYS H H 1 8.195 0.011 . 1 . . . A 42 CYS H . 18093 1 434 . 1 1 42 42 CYS HA H 1 3.936 0.008 . 1 . . . A 42 CYS HA . 18093 1 435 . 1 1 42 42 CYS HB2 H 1 3.116 0.015 . 2 . . . A 42 CYS HB2 . 18093 1 436 . 1 1 42 42 CYS HB3 H 1 2.691 0.011 . 2 . . . A 42 CYS HB3 . 18093 1 437 . 1 1 42 42 CYS C C 13 176.607 0.200 . 1 . . . A 42 CYS C . 18093 1 438 . 1 1 42 42 CYS CA C 13 64.317 0.028 . 1 . . . A 42 CYS CA . 18093 1 439 . 1 1 42 42 CYS CB C 13 26.919 0.036 . 1 . . . A 42 CYS CB . 18093 1 440 . 1 1 42 42 CYS N N 15 118.762 0.075 . 1 . . . A 42 CYS N . 18093 1 441 . 1 1 43 43 ILE H H 1 8.428 0.014 . 1 . . . A 43 ILE H . 18093 1 442 . 1 1 43 43 ILE HA H 1 3.607 0.007 . 1 . . . A 43 ILE HA . 18093 1 443 . 1 1 43 43 ILE HB H 1 1.878 0.002 . 1 . . . A 43 ILE HB . 18093 1 444 . 1 1 43 43 ILE HG13 H 1 1.241 0.005 . 2 . . . A 43 ILE HG13 . 18093 1 445 . 1 1 43 43 ILE HG21 H 1 0.766 0.004 . 1 . . . A 43 ILE HG21 . 18093 1 446 . 1 1 43 43 ILE HG22 H 1 0.766 0.004 . 1 . . . A 43 ILE HG22 . 18093 1 447 . 1 1 43 43 ILE HG23 H 1 0.766 0.004 . 1 . . . A 43 ILE HG23 . 18093 1 448 . 1 1 43 43 ILE HD11 H 1 0.748 0.004 . 1 . . . A 43 ILE HD11 . 18093 1 449 . 1 1 43 43 ILE HD12 H 1 0.748 0.004 . 1 . . . A 43 ILE HD12 . 18093 1 450 . 1 1 43 43 ILE HD13 H 1 0.748 0.004 . 1 . . . A 43 ILE HD13 . 18093 1 451 . 1 1 43 43 ILE C C 13 177.323 0.200 . 1 . . . A 43 ILE C . 18093 1 452 . 1 1 43 43 ILE CA C 13 65.249 0.025 . 1 . . . A 43 ILE CA . 18093 1 453 . 1 1 43 43 ILE CB C 13 38.038 0.134 . 1 . . . A 43 ILE CB . 18093 1 454 . 1 1 43 43 ILE CG1 C 13 28.551 0.200 . 1 . . . A 43 ILE CG1 . 18093 1 455 . 1 1 43 43 ILE CG2 C 13 17.505 0.200 . 1 . . . A 43 ILE CG2 . 18093 1 456 . 1 1 43 43 ILE CD1 C 13 13.080 0.116 . 1 . . . A 43 ILE CD1 . 18093 1 457 . 1 1 43 43 ILE N N 15 117.589 0.099 . 1 . . . A 43 ILE N . 18093 1 458 . 1 1 44 44 SER H H 1 7.984 0.011 . 1 . . . A 44 SER H . 18093 1 459 . 1 1 44 44 SER HA H 1 4.012 0.005 . 1 . . . A 44 SER HA . 18093 1 460 . 1 1 44 44 SER C C 13 176.965 0.200 . 1 . . . A 44 SER C . 18093 1 461 . 1 1 44 44 SER CA C 13 63.575 0.087 . 1 . . . A 44 SER CA . 18093 1 462 . 1 1 44 44 SER N N 15 115.950 0.088 . 1 . . . A 44 SER N . 18093 1 463 . 1 1 45 45 VAL H H 1 8.280 0.011 . 1 . . . A 45 VAL H . 18093 1 464 . 1 1 45 45 VAL HA H 1 3.548 0.006 . 1 . . . A 45 VAL HA . 18093 1 465 . 1 1 45 45 VAL HB H 1 2.212 0.008 . 1 . . . A 45 VAL HB . 18093 1 466 . 1 1 45 45 VAL HG11 H 1 1.013 0.010 . 1 . . . A 45 VAL HG11 . 18093 1 467 . 1 1 45 45 VAL HG12 H 1 1.013 0.010 . 1 . . . A 45 VAL HG12 . 18093 1 468 . 1 1 45 45 VAL HG13 H 1 1.013 0.010 . 1 . . . A 45 VAL HG13 . 18093 1 469 . 1 1 45 45 VAL HG21 H 1 0.863 0.003 . 1 . . . A 45 VAL HG21 . 18093 1 470 . 1 1 45 45 VAL HG22 H 1 0.863 0.003 . 1 . . . A 45 VAL HG22 . 18093 1 471 . 1 1 45 45 VAL HG23 H 1 0.863 0.003 . 1 . . . A 45 VAL HG23 . 18093 1 472 . 1 1 45 45 VAL C C 13 177.139 0.200 . 1 . . . A 45 VAL C . 18093 1 473 . 1 1 45 45 VAL CA C 13 67.233 0.097 . 1 . . . A 45 VAL CA . 18093 1 474 . 1 1 45 45 VAL CB C 13 31.642 0.200 . 1 . . . A 45 VAL CB . 18093 1 475 . 1 1 45 45 VAL CG1 C 13 23.314 0.071 . 2 . . . A 45 VAL CG1 . 18093 1 476 . 1 1 45 45 VAL CG2 C 13 21.542 0.033 . 2 . . . A 45 VAL CG2 . 18093 1 477 . 1 1 45 45 VAL N N 15 123.544 0.034 . 1 . . . A 45 VAL N . 18093 1 478 . 1 1 46 46 LEU H H 1 8.117 0.010 . 1 . . . A 46 LEU H . 18093 1 479 . 1 1 46 46 LEU HA H 1 3.943 0.007 . 1 . . . A 46 LEU HA . 18093 1 480 . 1 1 46 46 LEU HB2 H 1 1.833 0.013 . 2 . . . A 46 LEU HB2 . 18093 1 481 . 1 1 46 46 LEU HD11 H 1 0.836 0.015 . 1 . . . A 46 LEU HD11 . 18093 1 482 . 1 1 46 46 LEU HD12 H 1 0.836 0.015 . 1 . . . A 46 LEU HD12 . 18093 1 483 . 1 1 46 46 LEU HD13 H 1 0.836 0.015 . 1 . . . A 46 LEU HD13 . 18093 1 484 . 1 1 46 46 LEU C C 13 180.125 0.200 . 1 . . . A 46 LEU C . 18093 1 485 . 1 1 46 46 LEU CA C 13 58.600 0.084 . 1 . . . A 46 LEU CA . 18093 1 486 . 1 1 46 46 LEU CB C 13 42.012 0.200 . 1 . . . A 46 LEU CB . 18093 1 487 . 1 1 46 46 LEU CD1 C 13 24.860 0.200 . 2 . . . A 46 LEU CD1 . 18093 1 488 . 1 1 46 46 LEU N N 15 119.883 0.157 . 1 . . . A 46 LEU N . 18093 1 489 . 1 1 47 47 LEU H H 1 8.933 0.012 . 1 . . . A 47 LEU H . 18093 1 490 . 1 1 47 47 LEU HA H 1 4.004 0.022 . 1 . . . A 47 LEU HA . 18093 1 491 . 1 1 47 47 LEU HB2 H 1 1.765 0.002 . 2 . . . A 47 LEU HB2 . 18093 1 492 . 1 1 47 47 LEU HB3 H 1 1.562 0.008 . 2 . . . A 47 LEU HB3 . 18093 1 493 . 1 1 47 47 LEU HG H 1 1.757 0.006 . 1 . . . A 47 LEU HG . 18093 1 494 . 1 1 47 47 LEU HD11 H 1 0.818 0.003 . 1 . . . A 47 LEU HD11 . 18093 1 495 . 1 1 47 47 LEU HD12 H 1 0.818 0.003 . 1 . . . A 47 LEU HD12 . 18093 1 496 . 1 1 47 47 LEU HD13 H 1 0.818 0.003 . 1 . . . A 47 LEU HD13 . 18093 1 497 . 1 1 47 47 LEU HD21 H 1 0.798 0.002 . 1 . . . A 47 LEU HD21 . 18093 1 498 . 1 1 47 47 LEU HD22 H 1 0.798 0.002 . 1 . . . A 47 LEU HD22 . 18093 1 499 . 1 1 47 47 LEU HD23 H 1 0.798 0.002 . 1 . . . A 47 LEU HD23 . 18093 1 500 . 1 1 47 47 LEU C C 13 178.370 0.200 . 1 . . . A 47 LEU C . 18093 1 501 . 1 1 47 47 LEU CA C 13 58.426 0.126 . 1 . . . A 47 LEU CA . 18093 1 502 . 1 1 47 47 LEU CB C 13 42.055 0.171 . 1 . . . A 47 LEU CB . 18093 1 503 . 1 1 47 47 LEU CG C 13 27.154 0.128 . 1 . . . A 47 LEU CG . 18093 1 504 . 1 1 47 47 LEU CD1 C 13 24.983 0.006 . 2 . . . A 47 LEU CD1 . 18093 1 505 . 1 1 47 47 LEU CD2 C 13 24.483 0.164 . 2 . . . A 47 LEU CD2 . 18093 1 506 . 1 1 47 47 LEU N N 15 120.193 0.088 . 1 . . . A 47 LEU N . 18093 1 507 . 1 1 48 48 SER H H 1 7.996 0.013 . 1 . . . A 48 SER H . 18093 1 508 . 1 1 48 48 SER HA H 1 4.013 0.012 . 1 . . . A 48 SER HA . 18093 1 509 . 1 1 48 48 SER HB2 H 1 3.721 0.008 . 2 . . . A 48 SER HB2 . 18093 1 510 . 1 1 48 48 SER C C 13 175.642 0.200 . 1 . . . A 48 SER C . 18093 1 511 . 1 1 48 48 SER CA C 13 63.571 0.008 . 1 . . . A 48 SER CA . 18093 1 512 . 1 1 48 48 SER CB C 13 62.879 0.200 . 1 . . . A 48 SER CB . 18093 1 513 . 1 1 48 48 SER N N 15 115.861 0.012 . 1 . . . A 48 SER N . 18093 1 514 . 1 1 49 49 LEU H H 1 8.352 0.016 . 1 . . . A 49 LEU H . 18093 1 515 . 1 1 49 49 LEU HA H 1 4.035 0.005 . 1 . . . A 49 LEU HA . 18093 1 516 . 1 1 49 49 LEU HB2 H 1 1.797 0.006 . 2 . . . A 49 LEU HB2 . 18093 1 517 . 1 1 49 49 LEU HG H 1 1.780 0.015 . 1 . . . A 49 LEU HG . 18093 1 518 . 1 1 49 49 LEU HD11 H 1 0.823 0.015 . 1 . . . A 49 LEU HD11 . 18093 1 519 . 1 1 49 49 LEU HD12 H 1 0.823 0.015 . 1 . . . A 49 LEU HD12 . 18093 1 520 . 1 1 49 49 LEU HD13 H 1 0.823 0.015 . 1 . . . A 49 LEU HD13 . 18093 1 521 . 1 1 49 49 LEU C C 13 178.229 0.200 . 1 . . . A 49 LEU C . 18093 1 522 . 1 1 49 49 LEU CA C 13 58.283 0.080 . 1 . . . A 49 LEU CA . 18093 1 523 . 1 1 49 49 LEU CB C 13 41.946 0.034 . 1 . . . A 49 LEU CB . 18093 1 524 . 1 1 49 49 LEU CG C 13 27.072 0.200 . 1 . . . A 49 LEU CG . 18093 1 525 . 1 1 49 49 LEU CD1 C 13 25.172 0.200 . 2 . . . A 49 LEU CD1 . 18093 1 526 . 1 1 49 49 LEU N N 15 120.673 0.065 . 1 . . . A 49 LEU N . 18093 1 527 . 1 1 50 50 THR H H 1 7.937 0.011 . 1 . . . A 50 THR H . 18093 1 528 . 1 1 50 50 THR HA H 1 3.672 0.018 . 1 . . . A 50 THR HA . 18093 1 529 . 1 1 50 50 THR HG21 H 1 1.233 0.010 . 1 . . . A 50 THR HG21 . 18093 1 530 . 1 1 50 50 THR HG22 H 1 1.233 0.010 . 1 . . . A 50 THR HG22 . 18093 1 531 . 1 1 50 50 THR HG23 H 1 1.233 0.010 . 1 . . . A 50 THR HG23 . 18093 1 532 . 1 1 50 50 THR C C 13 175.877 0.200 . 1 . . . A 50 THR C . 18093 1 533 . 1 1 50 50 THR CA C 13 68.628 0.098 . 1 . . . A 50 THR CA . 18093 1 534 . 1 1 50 50 THR CG2 C 13 22.206 0.200 . 1 . . . A 50 THR CG2 . 18093 1 535 . 1 1 50 50 THR N N 15 115.582 0.093 . 1 . . . A 50 THR N . 18093 1 536 . 1 1 51 51 VAL H H 1 8.115 0.014 . 1 . . . A 51 VAL H . 18093 1 537 . 1 1 51 51 VAL HA H 1 3.498 0.016 . 1 . . . A 51 VAL HA . 18093 1 538 . 1 1 51 51 VAL HB H 1 2.176 0.007 . 1 . . . A 51 VAL HB . 18093 1 539 . 1 1 51 51 VAL HG11 H 1 1.002 0.004 . 1 . . . A 51 VAL HG11 . 18093 1 540 . 1 1 51 51 VAL HG12 H 1 1.002 0.004 . 1 . . . A 51 VAL HG12 . 18093 1 541 . 1 1 51 51 VAL HG13 H 1 1.002 0.004 . 1 . . . A 51 VAL HG13 . 18093 1 542 . 1 1 51 51 VAL HG21 H 1 0.853 0.011 . 1 . . . A 51 VAL HG21 . 18093 1 543 . 1 1 51 51 VAL HG22 H 1 0.853 0.011 . 1 . . . A 51 VAL HG22 . 18093 1 544 . 1 1 51 51 VAL HG23 H 1 0.853 0.011 . 1 . . . A 51 VAL HG23 . 18093 1 545 . 1 1 51 51 VAL C C 13 177.162 0.200 . 1 . . . A 51 VAL C . 18093 1 546 . 1 1 51 51 VAL CA C 13 67.585 0.090 . 1 . . . A 51 VAL CA . 18093 1 547 . 1 1 51 51 VAL CB C 13 31.521 0.052 . 1 . . . A 51 VAL CB . 18093 1 548 . 1 1 51 51 VAL CG1 C 13 23.385 0.200 . 2 . . . A 51 VAL CG1 . 18093 1 549 . 1 1 51 51 VAL CG2 C 13 21.491 0.030 . 2 . . . A 51 VAL CG2 . 18093 1 550 . 1 1 51 51 VAL N N 15 119.774 0.089 . 1 . . . A 51 VAL N . 18093 1 551 . 1 1 52 52 PHE H H 1 8.256 0.010 . 1 . . . A 52 PHE H . 18093 1 552 . 1 1 52 52 PHE HA H 1 4.122 0.015 . 1 . . . A 52 PHE HA . 18093 1 553 . 1 1 52 52 PHE HB2 H 1 3.193 0.007 . 2 . . . A 52 PHE HB2 . 18093 1 554 . 1 1 52 52 PHE HD1 H 1 7.033 0.006 . 3 . . . A 52 PHE HD1 . 18093 1 555 . 1 1 52 52 PHE HE1 H 1 7.025 0.015 . 3 . . . A 52 PHE HE1 . 18093 1 556 . 1 1 52 52 PHE C C 13 176.697 0.200 . 1 . . . A 52 PHE C . 18093 1 557 . 1 1 52 52 PHE CA C 13 61.771 0.056 . 1 . . . A 52 PHE CA . 18093 1 558 . 1 1 52 52 PHE CB C 13 39.262 0.040 . 1 . . . A 52 PHE CB . 18093 1 559 . 1 1 52 52 PHE CD1 C 13 130.775 0.200 . 3 . . . A 52 PHE CD1 . 18093 1 560 . 1 1 52 52 PHE CE1 C 13 130.178 0.200 . 3 . . . A 52 PHE CE1 . 18093 1 561 . 1 1 52 52 PHE N N 15 118.808 0.071 . 1 . . . A 52 PHE N . 18093 1 562 . 1 1 53 53 LEU H H 1 8.443 0.018 . 1 . . . A 53 LEU H . 18093 1 563 . 1 1 53 53 LEU HA H 1 3.893 0.017 . 1 . . . A 53 LEU HA . 18093 1 564 . 1 1 53 53 LEU HB2 H 1 1.818 0.013 . 2 . . . A 53 LEU HB2 . 18093 1 565 . 1 1 53 53 LEU HG H 1 1.808 0.015 . 1 . . . A 53 LEU HG . 18093 1 566 . 1 1 53 53 LEU HD11 H 1 0.829 0.002 . 1 . . . A 53 LEU HD11 . 18093 1 567 . 1 1 53 53 LEU HD12 H 1 0.829 0.002 . 1 . . . A 53 LEU HD12 . 18093 1 568 . 1 1 53 53 LEU HD13 H 1 0.829 0.002 . 1 . . . A 53 LEU HD13 . 18093 1 569 . 1 1 53 53 LEU C C 13 179.319 0.200 . 1 . . . A 53 LEU C . 18093 1 570 . 1 1 53 53 LEU CA C 13 57.985 0.037 . 1 . . . A 53 LEU CA . 18093 1 571 . 1 1 53 53 LEU CB C 13 41.827 0.117 . 1 . . . A 53 LEU CB . 18093 1 572 . 1 1 53 53 LEU CG C 13 27.049 0.200 . 1 . . . A 53 LEU CG . 18093 1 573 . 1 1 53 53 LEU CD1 C 13 24.809 0.013 . 2 . . . A 53 LEU CD1 . 18093 1 574 . 1 1 53 53 LEU N N 15 117.267 0.081 . 1 . . . A 53 LEU N . 18093 1 575 . 1 1 54 54 LEU H H 1 8.205 0.012 . 1 . . . A 54 LEU H . 18093 1 576 . 1 1 54 54 LEU HA H 1 4.054 0.001 . 1 . . . A 54 LEU HA . 18093 1 577 . 1 1 54 54 LEU HB2 H 1 1.856 0.006 . 2 . . . A 54 LEU HB2 . 18093 1 578 . 1 1 54 54 LEU HB3 H 1 1.615 0.015 . 2 . . . A 54 LEU HB3 . 18093 1 579 . 1 1 54 54 LEU HD11 H 1 0.817 0.002 . 1 . . . A 54 LEU HD11 . 18093 1 580 . 1 1 54 54 LEU HD12 H 1 0.817 0.002 . 1 . . . A 54 LEU HD12 . 18093 1 581 . 1 1 54 54 LEU HD13 H 1 0.817 0.002 . 1 . . . A 54 LEU HD13 . 18093 1 582 . 1 1 54 54 LEU C C 13 178.827 0.200 . 1 . . . A 54 LEU C . 18093 1 583 . 1 1 54 54 LEU CA C 13 58.105 0.087 . 1 . . . A 54 LEU CA . 18093 1 584 . 1 1 54 54 LEU CB C 13 41.947 0.056 . 1 . . . A 54 LEU CB . 18093 1 585 . 1 1 54 54 LEU CD1 C 13 24.961 0.019 . 2 . . . A 54 LEU CD1 . 18093 1 586 . 1 1 54 54 LEU N N 15 119.762 0.044 . 1 . . . A 54 LEU N . 18093 1 587 . 1 1 55 55 LEU H H 1 8.179 0.010 . 1 . . . A 55 LEU H . 18093 1 588 . 1 1 55 55 LEU HA H 1 4.077 0.013 . 1 . . . A 55 LEU HA . 18093 1 589 . 1 1 55 55 LEU HB2 H 1 1.853 0.006 . 2 . . . A 55 LEU HB2 . 18093 1 590 . 1 1 55 55 LEU HB3 H 1 1.526 0.013 . 2 . . . A 55 LEU HB3 . 18093 1 591 . 1 1 55 55 LEU HG H 1 1.791 0.015 . 1 . . . A 55 LEU HG . 18093 1 592 . 1 1 55 55 LEU HD21 H 1 0.803 0.005 . 1 . . . A 55 LEU HD21 . 18093 1 593 . 1 1 55 55 LEU HD22 H 1 0.803 0.005 . 1 . . . A 55 LEU HD22 . 18093 1 594 . 1 1 55 55 LEU HD23 H 1 0.803 0.005 . 1 . . . A 55 LEU HD23 . 18093 1 595 . 1 1 55 55 LEU C C 13 178.909 0.200 . 1 . . . A 55 LEU C . 18093 1 596 . 1 1 55 55 LEU CA C 13 58.108 0.064 . 1 . . . A 55 LEU CA . 18093 1 597 . 1 1 55 55 LEU CB C 13 41.979 0.020 . 1 . . . A 55 LEU CB . 18093 1 598 . 1 1 55 55 LEU CG C 13 27.011 0.200 . 1 . . . A 55 LEU CG . 18093 1 599 . 1 1 55 55 LEU CD2 C 13 24.221 0.090 . 2 . . . A 55 LEU CD2 . 18093 1 600 . 1 1 55 55 LEU N N 15 118.585 0.137 . 1 . . . A 55 LEU N . 18093 1 601 . 1 1 56 56 ILE H H 1 8.040 0.010 . 1 . . . A 56 ILE H . 18093 1 602 . 1 1 56 56 ILE HA H 1 3.729 0.019 . 1 . . . A 56 ILE HA . 18093 1 603 . 1 1 56 56 ILE HB H 1 1.813 0.004 . 1 . . . A 56 ILE HB . 18093 1 604 . 1 1 56 56 ILE HG12 H 1 1.297 0.015 . 2 . . . A 56 ILE HG12 . 18093 1 605 . 1 1 56 56 ILE HG13 H 1 1.070 0.004 . 2 . . . A 56 ILE HG13 . 18093 1 606 . 1 1 56 56 ILE HG21 H 1 0.736 0.009 . 1 . . . A 56 ILE HG21 . 18093 1 607 . 1 1 56 56 ILE HG22 H 1 0.736 0.009 . 1 . . . A 56 ILE HG22 . 18093 1 608 . 1 1 56 56 ILE HG23 H 1 0.736 0.009 . 1 . . . A 56 ILE HG23 . 18093 1 609 . 1 1 56 56 ILE HD11 H 1 0.585 0.002 . 1 . . . A 56 ILE HD11 . 18093 1 610 . 1 1 56 56 ILE HD12 H 1 0.585 0.002 . 1 . . . A 56 ILE HD12 . 18093 1 611 . 1 1 56 56 ILE HD13 H 1 0.585 0.002 . 1 . . . A 56 ILE HD13 . 18093 1 612 . 1 1 56 56 ILE C C 13 176.988 0.200 . 1 . . . A 56 ILE C . 18093 1 613 . 1 1 56 56 ILE CA C 13 64.257 0.046 . 1 . . . A 56 ILE CA . 18093 1 614 . 1 1 56 56 ILE CB C 13 37.417 0.200 . 1 . . . A 56 ILE CB . 18093 1 615 . 1 1 56 56 ILE CG1 C 13 28.638 0.008 . 1 . . . A 56 ILE CG1 . 18093 1 616 . 1 1 56 56 ILE CG2 C 13 17.994 0.089 . 1 . . . A 56 ILE CG2 . 18093 1 617 . 1 1 56 56 ILE CD1 C 13 13.159 0.080 . 1 . . . A 56 ILE CD1 . 18093 1 618 . 1 1 56 56 ILE N N 15 116.079 0.078 . 1 . . . A 56 ILE N . 18093 1 619 . 1 1 57 57 THR H H 1 7.655 0.009 . 1 . . . A 57 THR H . 18093 1 620 . 1 1 57 57 THR HA H 1 4.015 0.002 . 1 . . . A 57 THR HA . 18093 1 621 . 1 1 57 57 THR HB H 1 4.218 0.005 . 1 . . . A 57 THR HB . 18093 1 622 . 1 1 57 57 THR HG21 H 1 1.239 0.007 . 1 . . . A 57 THR HG21 . 18093 1 623 . 1 1 57 57 THR HG22 H 1 1.239 0.007 . 1 . . . A 57 THR HG22 . 18093 1 624 . 1 1 57 57 THR HG23 H 1 1.239 0.007 . 1 . . . A 57 THR HG23 . 18093 1 625 . 1 1 57 57 THR C C 13 175.435 0.200 . 1 . . . A 57 THR C . 18093 1 626 . 1 1 57 57 THR CA C 13 65.067 0.049 . 1 . . . A 57 THR CA . 18093 1 627 . 1 1 57 57 THR CB C 13 69.179 0.200 . 1 . . . A 57 THR CB . 18093 1 628 . 1 1 57 57 THR CG2 C 13 22.294 0.035 . 1 . . . A 57 THR CG2 . 18093 1 629 . 1 1 57 57 THR N N 15 110.105 0.059 . 1 . . . A 57 THR N . 18093 1 630 . 1 1 58 58 GLU H H 1 7.521 0.004 . 1 . . . A 58 GLU H . 18093 1 631 . 1 1 58 58 GLU HA H 1 4.333 0.007 . 1 . . . A 58 GLU HA . 18093 1 632 . 1 1 58 58 GLU HB2 H 1 2.131 0.006 . 2 . . . A 58 GLU HB2 . 18093 1 633 . 1 1 58 58 GLU HB3 H 1 1.994 0.001 . 2 . . . A 58 GLU HB3 . 18093 1 634 . 1 1 58 58 GLU HG2 H 1 2.372 0.006 . 2 . . . A 58 GLU HG2 . 18093 1 635 . 1 1 58 58 GLU HG3 H 1 2.173 0.015 . 2 . . . A 58 GLU HG3 . 18093 1 636 . 1 1 58 58 GLU C C 13 176.940 0.200 . 1 . . . A 58 GLU C . 18093 1 637 . 1 1 58 58 GLU CA C 13 57.068 0.022 . 1 . . . A 58 GLU CA . 18093 1 638 . 1 1 58 58 GLU CB C 13 29.396 0.004 . 1 . . . A 58 GLU CB . 18093 1 639 . 1 1 58 58 GLU CG C 13 34.677 0.002 . 1 . . . A 58 GLU CG . 18093 1 640 . 1 1 58 58 GLU N N 15 117.313 0.125 . 1 . . . A 58 GLU N . 18093 1 641 . 1 1 59 59 ILE H H 1 7.579 0.011 . 1 . . . A 59 ILE H . 18093 1 642 . 1 1 59 59 ILE HA H 1 4.089 0.014 . 1 . . . A 59 ILE HA . 18093 1 643 . 1 1 59 59 ILE HB H 1 1.960 0.009 . 1 . . . A 59 ILE HB . 18093 1 644 . 1 1 59 59 ILE HG12 H 1 1.568 0.009 . 2 . . . A 59 ILE HG12 . 18093 1 645 . 1 1 59 59 ILE HG13 H 1 1.243 0.016 . 2 . . . A 59 ILE HG13 . 18093 1 646 . 1 1 59 59 ILE HG21 H 1 0.881 0.015 . 1 . . . A 59 ILE HG21 . 18093 1 647 . 1 1 59 59 ILE HG22 H 1 0.881 0.015 . 1 . . . A 59 ILE HG22 . 18093 1 648 . 1 1 59 59 ILE HG23 H 1 0.881 0.015 . 1 . . . A 59 ILE HG23 . 18093 1 649 . 1 1 59 59 ILE HD11 H 1 0.775 0.003 . 1 . . . A 59 ILE HD11 . 18093 1 650 . 1 1 59 59 ILE HD12 H 1 0.775 0.003 . 1 . . . A 59 ILE HD12 . 18093 1 651 . 1 1 59 59 ILE HD13 H 1 0.775 0.003 . 1 . . . A 59 ILE HD13 . 18093 1 652 . 1 1 59 59 ILE C C 13 175.456 0.200 . 1 . . . A 59 ILE C . 18093 1 653 . 1 1 59 59 ILE CA C 13 62.434 0.049 . 1 . . . A 59 ILE CA . 18093 1 654 . 1 1 59 59 ILE CB C 13 38.657 0.205 . 1 . . . A 59 ILE CB . 18093 1 655 . 1 1 59 59 ILE CG1 C 13 28.211 0.038 . 1 . . . A 59 ILE CG1 . 18093 1 656 . 1 1 59 59 ILE CG2 C 13 17.938 0.012 . 1 . . . A 59 ILE CG2 . 18093 1 657 . 1 1 59 59 ILE CD1 C 13 13.425 0.034 . 1 . . . A 59 ILE CD1 . 18093 1 658 . 1 1 59 59 ILE N N 15 114.870 0.087 . 1 . . . A 59 ILE N . 18093 1 659 . 1 1 60 60 ILE H H 1 7.629 0.016 . 1 . . . A 60 ILE H . 18093 1 660 . 1 1 60 60 ILE HA H 1 4.304 0.007 . 1 . . . A 60 ILE HA . 18093 1 661 . 1 1 60 60 ILE HB H 1 1.956 0.005 . 1 . . . A 60 ILE HB . 18093 1 662 . 1 1 60 60 ILE HG12 H 1 1.575 0.004 . 2 . . . A 60 ILE HG12 . 18093 1 663 . 1 1 60 60 ILE HG13 H 1 1.130 0.004 . 2 . . . A 60 ILE HG13 . 18093 1 664 . 1 1 60 60 ILE HG21 H 1 0.895 0.011 . 1 . . . A 60 ILE HG21 . 18093 1 665 . 1 1 60 60 ILE HG22 H 1 0.895 0.011 . 1 . . . A 60 ILE HG22 . 18093 1 666 . 1 1 60 60 ILE HG23 H 1 0.895 0.011 . 1 . . . A 60 ILE HG23 . 18093 1 667 . 1 1 60 60 ILE HD11 H 1 0.775 0.002 . 1 . . . A 60 ILE HD11 . 18093 1 668 . 1 1 60 60 ILE HD12 H 1 0.775 0.002 . 1 . . . A 60 ILE HD12 . 18093 1 669 . 1 1 60 60 ILE HD13 H 1 0.775 0.002 . 1 . . . A 60 ILE HD13 . 18093 1 670 . 1 1 60 60 ILE CA C 13 59.617 0.060 . 1 . . . A 60 ILE CA . 18093 1 671 . 1 1 60 60 ILE CB C 13 38.862 0.200 . 1 . . . A 60 ILE CB . 18093 1 672 . 1 1 60 60 ILE CG1 C 13 27.593 0.056 . 1 . . . A 60 ILE CG1 . 18093 1 673 . 1 1 60 60 ILE CG2 C 13 17.892 0.067 . 1 . . . A 60 ILE CG2 . 18093 1 674 . 1 1 60 60 ILE CD1 C 13 13.430 0.033 . 1 . . . A 60 ILE CD1 . 18093 1 675 . 1 1 60 60 ILE N N 15 119.354 0.098 . 1 . . . A 60 ILE N . 18093 1 676 . 1 1 61 61 PRO HA H 1 4.400 0.015 . 1 . . . A 61 PRO HA . 18093 1 677 . 1 1 61 61 PRO HB2 H 1 2.300 0.003 . 2 . . . A 61 PRO HB2 . 18093 1 678 . 1 1 61 61 PRO HB3 H 1 1.974 0.005 . 2 . . . A 61 PRO HB3 . 18093 1 679 . 1 1 61 61 PRO HG2 H 1 1.993 0.015 . 2 . . . A 61 PRO HG2 . 18093 1 680 . 1 1 61 61 PRO HD2 H 1 3.742 0.014 . 2 . . . A 61 PRO HD2 . 18093 1 681 . 1 1 61 61 PRO HD3 H 1 3.558 0.015 . 2 . . . A 61 PRO HD3 . 18093 1 682 . 1 1 61 61 PRO C C 13 177.144 0.200 . 1 . . . A 61 PRO C . 18093 1 683 . 1 1 61 61 PRO CA C 13 63.808 0.103 . 1 . . . A 61 PRO CA . 18093 1 684 . 1 1 61 61 PRO CB C 13 31.882 0.220 . 1 . . . A 61 PRO CB . 18093 1 685 . 1 1 61 61 PRO CG C 13 27.452 0.200 . 1 . . . A 61 PRO CG . 18093 1 686 . 1 1 61 61 PRO CD C 13 50.443 0.045 . 1 . . . A 61 PRO CD . 18093 1 687 . 1 1 62 62 SER H H 1 8.186 0.004 . 1 . . . A 62 SER H . 18093 1 688 . 1 1 62 62 SER HA H 1 4.434 0.010 . 1 . . . A 62 SER HA . 18093 1 689 . 1 1 62 62 SER HB2 H 1 3.900 0.007 . 2 . . . A 62 SER HB2 . 18093 1 690 . 1 1 62 62 SER C C 13 175.161 0.200 . 1 . . . A 62 SER C . 18093 1 691 . 1 1 62 62 SER CA C 13 59.047 0.040 . 1 . . . A 62 SER CA . 18093 1 692 . 1 1 62 62 SER CB C 13 63.704 0.100 . 1 . . . A 62 SER CB . 18093 1 693 . 1 1 62 62 SER N N 15 114.474 0.081 . 1 . . . A 62 SER N . 18093 1 694 . 1 1 63 63 THR H H 1 7.963 0.007 . 1 . . . A 63 THR H . 18093 1 695 . 1 1 63 63 THR HA H 1 4.319 0.004 . 1 . . . A 63 THR HA . 18093 1 696 . 1 1 63 63 THR HB H 1 4.299 0.005 . 1 . . . A 63 THR HB . 18093 1 697 . 1 1 63 63 THR HG21 H 1 1.195 0.021 . 1 . . . A 63 THR HG21 . 18093 1 698 . 1 1 63 63 THR HG22 H 1 1.195 0.021 . 1 . . . A 63 THR HG22 . 18093 1 699 . 1 1 63 63 THR HG23 H 1 1.195 0.021 . 1 . . . A 63 THR HG23 . 18093 1 700 . 1 1 63 63 THR C C 13 174.834 0.200 . 1 . . . A 63 THR C . 18093 1 701 . 1 1 63 63 THR CA C 13 62.377 0.026 . 1 . . . A 63 THR CA . 18093 1 702 . 1 1 63 63 THR CB C 13 69.422 0.127 . 1 . . . A 63 THR CB . 18093 1 703 . 1 1 63 63 THR CG2 C 13 21.870 0.038 . 1 . . . A 63 THR CG2 . 18093 1 704 . 1 1 63 63 THR N N 15 113.573 0.084 . 1 . . . A 63 THR N . 18093 1 705 . 1 1 64 64 SER H H 1 8.052 0.004 . 1 . . . A 64 SER H . 18093 1 706 . 1 1 64 64 SER HA H 1 4.428 0.015 . 1 . . . A 64 SER HA . 18093 1 707 . 1 1 64 64 SER HB2 H 1 3.870 0.004 . 2 . . . A 64 SER HB2 . 18093 1 708 . 1 1 64 64 SER C C 13 174.618 0.200 . 1 . . . A 64 SER C . 18093 1 709 . 1 1 64 64 SER CA C 13 59.045 0.050 . 1 . . . A 64 SER CA . 18093 1 710 . 1 1 64 64 SER CB C 13 63.700 0.055 . 1 . . . A 64 SER CB . 18093 1 711 . 1 1 64 64 SER N N 15 116.598 0.058 . 1 . . . A 64 SER N . 18093 1 712 . 1 1 65 65 SER H H 1 8.114 0.002 . 1 . . . A 65 SER H . 18093 1 713 . 1 1 65 65 SER HA H 1 4.432 0.004 . 1 . . . A 65 SER HA . 18093 1 714 . 1 1 65 65 SER HB2 H 1 3.866 0.007 . 2 . . . A 65 SER HB2 . 18093 1 715 . 1 1 65 65 SER C C 13 174.335 0.200 . 1 . . . A 65 SER C . 18093 1 716 . 1 1 65 65 SER CA C 13 58.927 0.040 . 1 . . . A 65 SER CA . 18093 1 717 . 1 1 65 65 SER CB C 13 63.621 0.003 . 1 . . . A 65 SER CB . 18093 1 718 . 1 1 65 65 SER N N 15 116.673 0.035 . 1 . . . A 65 SER N . 18093 1 719 . 1 1 66 66 VAL H H 1 7.740 0.003 . 1 . . . A 66 VAL H . 18093 1 720 . 1 1 66 66 VAL HA H 1 4.170 0.005 . 1 . . . A 66 VAL HA . 18093 1 721 . 1 1 66 66 VAL HB H 1 2.082 0.006 . 1 . . . A 66 VAL HB . 18093 1 722 . 1 1 66 66 VAL HG11 H 1 0.893 0.003 . 1 . . . A 66 VAL HG11 . 18093 1 723 . 1 1 66 66 VAL HG12 H 1 0.893 0.003 . 1 . . . A 66 VAL HG12 . 18093 1 724 . 1 1 66 66 VAL HG13 H 1 0.893 0.003 . 1 . . . A 66 VAL HG13 . 18093 1 725 . 1 1 66 66 VAL HG21 H 1 0.889 0.001 . 1 . . . A 66 VAL HG21 . 18093 1 726 . 1 1 66 66 VAL HG22 H 1 0.889 0.001 . 1 . . . A 66 VAL HG22 . 18093 1 727 . 1 1 66 66 VAL HG23 H 1 0.889 0.001 . 1 . . . A 66 VAL HG23 . 18093 1 728 . 1 1 66 66 VAL C C 13 175.278 0.200 . 1 . . . A 66 VAL C . 18093 1 729 . 1 1 66 66 VAL CA C 13 62.062 0.033 . 1 . . . A 66 VAL CA . 18093 1 730 . 1 1 66 66 VAL CB C 13 32.629 0.161 . 1 . . . A 66 VAL CB . 18093 1 731 . 1 1 66 66 VAL CG1 C 13 21.492 0.200 . 2 . . . A 66 VAL CG1 . 18093 1 732 . 1 1 66 66 VAL CG2 C 13 20.724 0.116 . 2 . . . A 66 VAL CG2 . 18093 1 733 . 1 1 66 66 VAL N N 15 119.054 0.023 . 1 . . . A 66 VAL N . 18093 1 734 . 1 1 67 67 SER H H 1 8.060 0.007 . 1 . . . A 67 SER H . 18093 1 735 . 1 1 67 67 SER HA H 1 4.704 0.007 . 1 . . . A 67 SER HA . 18093 1 736 . 1 1 67 67 SER HB2 H 1 3.866 0.010 . 2 . . . A 67 SER HB2 . 18093 1 737 . 1 1 67 67 SER CA C 13 56.715 0.050 . 1 . . . A 67 SER CA . 18093 1 738 . 1 1 67 67 SER CB C 13 63.624 0.200 . 1 . . . A 67 SER CB . 18093 1 739 . 1 1 67 67 SER N N 15 118.882 0.052 . 1 . . . A 67 SER N . 18093 1 740 . 1 1 68 68 PRO HA H 1 4.400 0.015 . 1 . . . A 68 PRO HA . 18093 1 741 . 1 1 68 68 PRO HB3 H 1 1.903 0.013 . 2 . . . A 68 PRO HB3 . 18093 1 742 . 1 1 68 68 PRO HD2 H 1 3.815 0.015 . 2 . . . A 68 PRO HD2 . 18093 1 743 . 1 1 68 68 PRO HD3 H 1 3.765 0.015 . 2 . . . A 68 PRO HD3 . 18093 1 744 . 1 1 68 68 PRO C C 13 176.925 0.200 . 1 . . . A 68 PRO C . 18093 1 745 . 1 1 68 68 PRO CA C 13 63.748 0.085 . 1 . . . A 68 PRO CA . 18093 1 746 . 1 1 68 68 PRO CB C 13 32.005 0.200 . 1 . . . A 68 PRO CB . 18093 1 747 . 1 1 68 68 PRO CD C 13 50.464 0.029 . 1 . . . A 68 PRO CD . 18093 1 748 . 1 1 69 69 SER H H 1 8.205 0.008 . 1 . . . A 69 SER H . 18093 1 749 . 1 1 69 69 SER HA H 1 4.422 0.020 . 1 . . . A 69 SER HA . 18093 1 750 . 1 1 69 69 SER HB2 H 1 3.909 0.002 . 2 . . . A 69 SER HB2 . 18093 1 751 . 1 1 69 69 SER C C 13 175.617 0.200 . 1 . . . A 69 SER C . 18093 1 752 . 1 1 69 69 SER CA C 13 58.697 0.073 . 1 . . . A 69 SER CA . 18093 1 753 . 1 1 69 69 SER CB C 13 63.804 0.200 . 1 . . . A 69 SER CB . 18093 1 754 . 1 1 69 69 SER N N 15 114.930 0.021 . 1 . . . A 69 SER N . 18093 1 755 . 1 1 70 70 ILE H H 1 8.283 0.011 . 1 . . . A 70 ILE H . 18093 1 756 . 1 1 70 70 ILE HA H 1 3.992 0.006 . 1 . . . A 70 ILE HA . 18093 1 757 . 1 1 70 70 ILE HB H 1 1.999 0.007 . 1 . . . A 70 ILE HB . 18093 1 758 . 1 1 70 70 ILE HG12 H 1 1.636 0.002 . 2 . . . A 70 ILE HG12 . 18093 1 759 . 1 1 70 70 ILE HG13 H 1 1.277 0.010 . 2 . . . A 70 ILE HG13 . 18093 1 760 . 1 1 70 70 ILE HG21 H 1 0.938 0.011 . 1 . . . A 70 ILE HG21 . 18093 1 761 . 1 1 70 70 ILE HG22 H 1 0.938 0.011 . 1 . . . A 70 ILE HG22 . 18093 1 762 . 1 1 70 70 ILE HG23 H 1 0.938 0.011 . 1 . . . A 70 ILE HG23 . 18093 1 763 . 1 1 70 70 ILE HD11 H 1 0.921 0.001 . 1 . . . A 70 ILE HD11 . 18093 1 764 . 1 1 70 70 ILE HD12 H 1 0.921 0.001 . 1 . . . A 70 ILE HD12 . 18093 1 765 . 1 1 70 70 ILE HD13 H 1 0.921 0.001 . 1 . . . A 70 ILE HD13 . 18093 1 766 . 1 1 70 70 ILE C C 13 177.524 0.200 . 1 . . . A 70 ILE C . 18093 1 767 . 1 1 70 70 ILE CA C 13 64.335 0.051 . 1 . . . A 70 ILE CA . 18093 1 768 . 1 1 70 70 ILE CB C 13 37.460 0.130 . 1 . . . A 70 ILE CB . 18093 1 769 . 1 1 70 70 ILE CG1 C 13 28.630 0.217 . 1 . . . A 70 ILE CG1 . 18093 1 770 . 1 1 70 70 ILE CG2 C 13 17.878 0.059 . 1 . . . A 70 ILE CG2 . 18093 1 771 . 1 1 70 70 ILE CD1 C 13 13.331 0.085 . 1 . . . A 70 ILE CD1 . 18093 1 772 . 1 1 70 70 ILE N N 15 120.840 0.126 . 1 . . . A 70 ILE N . 18093 1 773 . 1 1 71 71 GLY H H 1 8.557 0.005 . 1 . . . A 71 GLY H . 18093 1 774 . 1 1 71 71 GLY HA2 H 1 3.870 0.007 . 2 . . . A 71 GLY HA2 . 18093 1 775 . 1 1 71 71 GLY HA3 H 1 3.644 0.002 . 2 . . . A 71 GLY HA3 . 18093 1 776 . 1 1 71 71 GLY C C 13 175.296 0.200 . 1 . . . A 71 GLY C . 18093 1 777 . 1 1 71 71 GLY CA C 13 47.455 0.107 . 1 . . . A 71 GLY CA . 18093 1 778 . 1 1 71 71 GLY N N 15 107.823 0.076 . 1 . . . A 71 GLY N . 18093 1 779 . 1 1 72 72 GLU H H 1 7.922 0.012 . 1 . . . A 72 GLU H . 18093 1 780 . 1 1 72 72 GLU HA H 1 3.847 0.006 . 1 . . . A 72 GLU HA . 18093 1 781 . 1 1 72 72 GLU HB2 H 1 2.105 0.018 . 2 . . . A 72 GLU HB2 . 18093 1 782 . 1 1 72 72 GLU HB3 H 1 1.829 0.018 . 2 . . . A 72 GLU HB3 . 18093 1 783 . 1 1 72 72 GLU HG2 H 1 2.247 0.005 . 2 . . . A 72 GLU HG2 . 18093 1 784 . 1 1 72 72 GLU C C 13 178.198 0.200 . 1 . . . A 72 GLU C . 18093 1 785 . 1 1 72 72 GLU CA C 13 60.117 0.031 . 1 . . . A 72 GLU CA . 18093 1 786 . 1 1 72 72 GLU CB C 13 29.393 0.070 . 1 . . . A 72 GLU CB . 18093 1 787 . 1 1 72 72 GLU CG C 13 36.257 0.200 . 1 . . . A 72 GLU CG . 18093 1 788 . 1 1 72 72 GLU N N 15 120.835 0.085 . 1 . . . A 72 GLU N . 18093 1 789 . 1 1 73 73 TYR H H 1 8.062 0.009 . 1 . . . A 73 TYR H . 18093 1 790 . 1 1 73 73 TYR HA H 1 4.162 0.001 . 1 . . . A 73 TYR HA . 18093 1 791 . 1 1 73 73 TYR HB2 H 1 3.136 0.009 . 2 . . . A 73 TYR HB2 . 18093 1 792 . 1 1 73 73 TYR HB3 H 1 2.968 0.009 . 2 . . . A 73 TYR HB3 . 18093 1 793 . 1 1 73 73 TYR HD2 H 1 7.019 0.005 . 3 . . . A 73 TYR HD2 . 18093 1 794 . 1 1 73 73 TYR HE2 H 1 6.686 0.015 . 3 . . . A 73 TYR HE2 . 18093 1 795 . 1 1 73 73 TYR C C 13 179.912 0.200 . 1 . . . A 73 TYR C . 18093 1 796 . 1 1 73 73 TYR CA C 13 62.155 0.170 . 1 . . . A 73 TYR CA . 18093 1 797 . 1 1 73 73 TYR CB C 13 38.766 0.113 . 1 . . . A 73 TYR CB . 18093 1 798 . 1 1 73 73 TYR CD2 C 13 132.332 0.200 . 3 . . . A 73 TYR CD2 . 18093 1 799 . 1 1 73 73 TYR CE2 C 13 118.018 0.200 . 3 . . . A 73 TYR CE2 . 18093 1 800 . 1 1 73 73 TYR N N 15 117.375 0.092 . 1 . . . A 73 TYR N . 18093 1 801 . 1 1 74 74 LEU H H 1 8.552 0.011 . 1 . . . A 74 LEU H . 18093 1 802 . 1 1 74 74 LEU HA H 1 4.049 0.003 . 1 . . . A 74 LEU HA . 18093 1 803 . 1 1 74 74 LEU HB2 H 1 1.852 0.013 . 2 . . . A 74 LEU HB2 . 18093 1 804 . 1 1 74 74 LEU HB3 H 1 1.619 0.006 . 2 . . . A 74 LEU HB3 . 18093 1 805 . 1 1 74 74 LEU HG H 1 1.841 0.003 . 1 . . . A 74 LEU HG . 18093 1 806 . 1 1 74 74 LEU HD11 H 1 0.893 0.009 . 1 . . . A 74 LEU HD11 . 18093 1 807 . 1 1 74 74 LEU HD12 H 1 0.893 0.009 . 1 . . . A 74 LEU HD12 . 18093 1 808 . 1 1 74 74 LEU HD13 H 1 0.893 0.009 . 1 . . . A 74 LEU HD13 . 18093 1 809 . 1 1 74 74 LEU HD21 H 1 0.801 0.015 . 1 . . . A 74 LEU HD21 . 18093 1 810 . 1 1 74 74 LEU HD22 H 1 0.801 0.015 . 1 . . . A 74 LEU HD22 . 18093 1 811 . 1 1 74 74 LEU HD23 H 1 0.801 0.015 . 1 . . . A 74 LEU HD23 . 18093 1 812 . 1 1 74 74 LEU C C 13 178.063 0.200 . 1 . . . A 74 LEU C . 18093 1 813 . 1 1 74 74 LEU CA C 13 58.495 0.050 . 1 . . . A 74 LEU CA . 18093 1 814 . 1 1 74 74 LEU CB C 13 41.847 0.203 . 1 . . . A 74 LEU CB . 18093 1 815 . 1 1 74 74 LEU CG C 13 26.938 0.033 . 1 . . . A 74 LEU CG . 18093 1 816 . 1 1 74 74 LEU CD1 C 13 25.383 0.044 . 2 . . . A 74 LEU CD1 . 18093 1 817 . 1 1 74 74 LEU CD2 C 13 24.472 0.200 . 2 . . . A 74 LEU CD2 . 18093 1 818 . 1 1 74 74 LEU N N 15 121.493 0.095 . 1 . . . A 74 LEU N . 18093 1 819 . 1 1 75 75 LEU H H 1 8.276 0.009 . 1 . . . A 75 LEU H . 18093 1 820 . 1 1 75 75 LEU HA H 1 4.040 0.015 . 1 . . . A 75 LEU HA . 18093 1 821 . 1 1 75 75 LEU HB2 H 1 1.776 0.022 . 2 . . . A 75 LEU HB2 . 18093 1 822 . 1 1 75 75 LEU HB3 H 1 1.632 0.015 . 2 . . . A 75 LEU HB3 . 18093 1 823 . 1 1 75 75 LEU HD11 H 1 0.835 0.013 . 1 . . . A 75 LEU HD11 . 18093 1 824 . 1 1 75 75 LEU HD12 H 1 0.835 0.013 . 1 . . . A 75 LEU HD12 . 18093 1 825 . 1 1 75 75 LEU HD13 H 1 0.835 0.013 . 1 . . . A 75 LEU HD13 . 18093 1 826 . 1 1 75 75 LEU C C 13 178.515 0.200 . 1 . . . A 75 LEU C . 18093 1 827 . 1 1 75 75 LEU CA C 13 58.638 0.048 . 1 . . . A 75 LEU CA . 18093 1 828 . 1 1 75 75 LEU CB C 13 42.039 0.072 . 1 . . . A 75 LEU CB . 18093 1 829 . 1 1 75 75 LEU CD1 C 13 24.626 0.063 . 2 . . . A 75 LEU CD1 . 18093 1 830 . 1 1 75 75 LEU N N 15 120.375 0.080 . 1 . . . A 75 LEU N . 18093 1 831 . 1 1 76 76 PHE H H 1 8.454 0.006 . 1 . . . A 76 PHE H . 18093 1 832 . 1 1 76 76 PHE HA H 1 4.079 0.017 . 1 . . . A 76 PHE HA . 18093 1 833 . 1 1 76 76 PHE HB2 H 1 3.137 0.005 . 2 . . . A 76 PHE HB2 . 18093 1 834 . 1 1 76 76 PHE HD1 H 1 7.045 0.007 . 3 . . . A 76 PHE HD1 . 18093 1 835 . 1 1 76 76 PHE HE1 H 1 7.034 0.015 . 3 . . . A 76 PHE HE1 . 18093 1 836 . 1 1 76 76 PHE C C 13 177.399 0.200 . 1 . . . A 76 PHE C . 18093 1 837 . 1 1 76 76 PHE CA C 13 61.734 0.036 . 1 . . . A 76 PHE CA . 18093 1 838 . 1 1 76 76 PHE CB C 13 38.741 0.083 . 1 . . . A 76 PHE CB . 18093 1 839 . 1 1 76 76 PHE CD1 C 13 130.654 0.200 . 3 . . . A 76 PHE CD1 . 18093 1 840 . 1 1 76 76 PHE CE1 C 13 130.155 0.200 . 3 . . . A 76 PHE CE1 . 18093 1 841 . 1 1 76 76 PHE N N 15 116.626 0.206 . 1 . . . A 76 PHE N . 18093 1 842 . 1 1 77 77 THR H H 1 8.224 0.015 . 1 . . . A 77 THR H . 18093 1 843 . 1 1 77 77 THR HA H 1 3.687 0.016 . 1 . . . A 77 THR HA . 18093 1 844 . 1 1 77 77 THR HG21 H 1 1.088 0.009 . 1 . . . A 77 THR HG21 . 18093 1 845 . 1 1 77 77 THR HG22 H 1 1.088 0.009 . 1 . . . A 77 THR HG22 . 18093 1 846 . 1 1 77 77 THR HG23 H 1 1.088 0.009 . 1 . . . A 77 THR HG23 . 18093 1 847 . 1 1 77 77 THR C C 13 176.018 0.200 . 1 . . . A 77 THR C . 18093 1 848 . 1 1 77 77 THR CA C 13 68.640 0.080 . 1 . . . A 77 THR CA . 18093 1 849 . 1 1 77 77 THR CG2 C 13 21.940 0.036 . 1 . . . A 77 THR CG2 . 18093 1 850 . 1 1 77 77 THR N N 15 116.080 0.068 . 1 . . . A 77 THR N . 18093 1 851 . 1 1 78 78 MET H H 1 8.372 0.011 . 1 . . . A 78 MET H . 18093 1 852 . 1 1 78 78 MET HA H 1 4.129 0.018 . 1 . . . A 78 MET HA . 18093 1 853 . 1 1 78 78 MET HB2 H 1 2.213 0.015 . 2 . . . A 78 MET HB2 . 18093 1 854 . 1 1 78 78 MET HB3 H 1 2.050 0.007 . 2 . . . A 78 MET HB3 . 18093 1 855 . 1 1 78 78 MET HG2 H 1 2.586 0.020 . 2 . . . A 78 MET HG2 . 18093 1 856 . 1 1 78 78 MET HG3 H 1 2.473 0.013 . 2 . . . A 78 MET HG3 . 18093 1 857 . 1 1 78 78 MET HE1 H 1 1.896 0.015 . 1 . . . A 78 MET HE1 . 18093 1 858 . 1 1 78 78 MET HE2 H 1 1.896 0.015 . 1 . . . A 78 MET HE2 . 18093 1 859 . 1 1 78 78 MET HE3 H 1 1.896 0.015 . 1 . . . A 78 MET HE3 . 18093 1 860 . 1 1 78 78 MET C C 13 179.608 0.200 . 1 . . . A 78 MET C . 18093 1 861 . 1 1 78 78 MET CA C 13 58.831 0.035 . 1 . . . A 78 MET CA . 18093 1 862 . 1 1 78 78 MET CB C 13 31.590 0.014 . 1 . . . A 78 MET CB . 18093 1 863 . 1 1 78 78 MET CG C 13 32.810 0.075 . 1 . . . A 78 MET CG . 18093 1 864 . 1 1 78 78 MET CE C 13 17.105 0.200 . 1 . . . A 78 MET CE . 18093 1 865 . 1 1 78 78 MET N N 15 119.394 0.057 . 1 . . . A 78 MET N . 18093 1 866 . 1 1 79 79 ILE H H 1 8.391 0.012 . 1 . . . A 79 ILE H . 18093 1 867 . 1 1 79 79 ILE HA H 1 3.550 0.007 . 1 . . . A 79 ILE HA . 18093 1 868 . 1 1 79 79 ILE HB H 1 1.940 0.012 . 1 . . . A 79 ILE HB . 18093 1 869 . 1 1 79 79 ILE HG12 H 1 1.620 0.015 . 2 . . . A 79 ILE HG12 . 18093 1 870 . 1 1 79 79 ILE HG13 H 1 1.239 0.019 . 2 . . . A 79 ILE HG13 . 18093 1 871 . 1 1 79 79 ILE HG21 H 1 0.767 0.003 . 1 . . . A 79 ILE HG21 . 18093 1 872 . 1 1 79 79 ILE HG22 H 1 0.767 0.003 . 1 . . . A 79 ILE HG22 . 18093 1 873 . 1 1 79 79 ILE HG23 H 1 0.767 0.003 . 1 . . . A 79 ILE HG23 . 18093 1 874 . 1 1 79 79 ILE HD11 H 1 0.704 0.003 . 1 . . . A 79 ILE HD11 . 18093 1 875 . 1 1 79 79 ILE HD12 H 1 0.704 0.003 . 1 . . . A 79 ILE HD12 . 18093 1 876 . 1 1 79 79 ILE HD13 H 1 0.704 0.003 . 1 . . . A 79 ILE HD13 . 18093 1 877 . 1 1 79 79 ILE C C 13 176.426 0.200 . 1 . . . A 79 ILE C . 18093 1 878 . 1 1 79 79 ILE CA C 13 65.876 0.044 . 1 . . . A 79 ILE CA . 18093 1 879 . 1 1 79 79 ILE CB C 13 37.673 0.160 . 1 . . . A 79 ILE CB . 18093 1 880 . 1 1 79 79 ILE CG1 C 13 28.677 0.114 . 1 . . . A 79 ILE CG1 . 18093 1 881 . 1 1 79 79 ILE CG2 C 13 17.245 0.213 . 1 . . . A 79 ILE CG2 . 18093 1 882 . 1 1 79 79 ILE CD1 C 13 13.297 0.060 . 1 . . . A 79 ILE CD1 . 18093 1 883 . 1 1 79 79 ILE N N 15 121.819 0.077 . 1 . . . A 79 ILE N . 18093 1 884 . 1 1 80 80 PHE H H 1 8.479 0.010 . 1 . . . A 80 PHE H . 18093 1 885 . 1 1 80 80 PHE HA H 1 4.053 0.009 . 1 . . . A 80 PHE HA . 18093 1 886 . 1 1 80 80 PHE HB2 H 1 3.125 0.004 . 2 . . . A 80 PHE HB2 . 18093 1 887 . 1 1 80 80 PHE HB3 H 1 2.921 0.002 . 2 . . . A 80 PHE HB3 . 18093 1 888 . 1 1 80 80 PHE HD2 H 1 6.998 0.009 . 3 . . . A 80 PHE HD2 . 18093 1 889 . 1 1 80 80 PHE HE2 H 1 6.999 0.015 . 3 . . . A 80 PHE HE2 . 18093 1 890 . 1 1 80 80 PHE C C 13 178.568 0.200 . 1 . . . A 80 PHE C . 18093 1 891 . 1 1 80 80 PHE CA C 13 62.307 0.051 . 1 . . . A 80 PHE CA . 18093 1 892 . 1 1 80 80 PHE CB C 13 38.774 0.170 . 1 . . . A 80 PHE CB . 18093 1 893 . 1 1 80 80 PHE CD2 C 13 130.729 0.200 . 3 . . . A 80 PHE CD2 . 18093 1 894 . 1 1 80 80 PHE CE2 C 13 130.155 0.200 . 3 . . . A 80 PHE CE2 . 18093 1 895 . 1 1 80 80 PHE N N 15 119.916 0.140 . 1 . . . A 80 PHE N . 18093 1 896 . 1 1 81 81 VAL H H 1 8.928 0.010 . 1 . . . A 81 VAL H . 18093 1 897 . 1 1 81 81 VAL HA H 1 3.453 0.007 . 1 . . . A 81 VAL HA . 18093 1 898 . 1 1 81 81 VAL HB H 1 2.168 0.007 . 1 . . . A 81 VAL HB . 18093 1 899 . 1 1 81 81 VAL HG11 H 1 1.090 0.003 . 1 . . . A 81 VAL HG11 . 18093 1 900 . 1 1 81 81 VAL HG12 H 1 1.090 0.003 . 1 . . . A 81 VAL HG12 . 18093 1 901 . 1 1 81 81 VAL HG13 H 1 1.090 0.003 . 1 . . . A 81 VAL HG13 . 18093 1 902 . 1 1 81 81 VAL HG21 H 1 0.874 0.013 . 1 . . . A 81 VAL HG21 . 18093 1 903 . 1 1 81 81 VAL HG22 H 1 0.874 0.013 . 1 . . . A 81 VAL HG22 . 18093 1 904 . 1 1 81 81 VAL HG23 H 1 0.874 0.013 . 1 . . . A 81 VAL HG23 . 18093 1 905 . 1 1 81 81 VAL C C 13 178.225 0.200 . 1 . . . A 81 VAL C . 18093 1 906 . 1 1 81 81 VAL CA C 13 67.408 0.032 . 1 . . . A 81 VAL CA . 18093 1 907 . 1 1 81 81 VAL CB C 13 31.556 0.200 . 1 . . . A 81 VAL CB . 18093 1 908 . 1 1 81 81 VAL CG1 C 13 23.402 0.032 . 2 . . . A 81 VAL CG1 . 18093 1 909 . 1 1 81 81 VAL CG2 C 13 21.521 0.038 . 2 . . . A 81 VAL CG2 . 18093 1 910 . 1 1 81 81 VAL N N 15 120.191 0.092 . 1 . . . A 81 VAL N . 18093 1 911 . 1 1 82 82 THR H H 1 7.969 0.013 . 1 . . . A 82 THR H . 18093 1 912 . 1 1 82 82 THR HA H 1 3.636 0.017 . 1 . . . A 82 THR HA . 18093 1 913 . 1 1 82 82 THR HB H 1 4.161 0.009 . 1 . . . A 82 THR HB . 18093 1 914 . 1 1 82 82 THR HG21 H 1 1.058 0.006 . 1 . . . A 82 THR HG21 . 18093 1 915 . 1 1 82 82 THR HG22 H 1 1.058 0.006 . 1 . . . A 82 THR HG22 . 18093 1 916 . 1 1 82 82 THR HG23 H 1 1.058 0.006 . 1 . . . A 82 THR HG23 . 18093 1 917 . 1 1 82 82 THR C C 13 176.420 0.200 . 1 . . . A 82 THR C . 18093 1 918 . 1 1 82 82 THR CA C 13 68.570 0.262 . 1 . . . A 82 THR CA . 18093 1 919 . 1 1 82 82 THR CB C 13 68.202 0.219 . 1 . . . A 82 THR CB . 18093 1 920 . 1 1 82 82 THR CG2 C 13 21.474 0.110 . 1 . . . A 82 THR CG2 . 18093 1 921 . 1 1 82 82 THR N N 15 115.930 0.132 . 1 . . . A 82 THR N . 18093 1 922 . 1 1 83 83 LEU H H 1 8.483 0.011 . 1 . . . A 83 LEU H . 18093 1 923 . 1 1 83 83 LEU HA H 1 3.847 0.013 . 1 . . . A 83 LEU HA . 18093 1 924 . 1 1 83 83 LEU HB2 H 1 1.726 0.011 . 2 . . . A 83 LEU HB2 . 18093 1 925 . 1 1 83 83 LEU HG H 1 1.751 0.015 . 1 . . . A 83 LEU HG . 18093 1 926 . 1 1 83 83 LEU HD11 H 1 0.752 0.007 . 1 . . . A 83 LEU HD11 . 18093 1 927 . 1 1 83 83 LEU HD12 H 1 0.752 0.007 . 1 . . . A 83 LEU HD12 . 18093 1 928 . 1 1 83 83 LEU HD13 H 1 0.752 0.007 . 1 . . . A 83 LEU HD13 . 18093 1 929 . 1 1 83 83 LEU HD21 H 1 0.734 0.015 . 1 . . . A 83 LEU HD21 . 18093 1 930 . 1 1 83 83 LEU HD22 H 1 0.734 0.015 . 1 . . . A 83 LEU HD22 . 18093 1 931 . 1 1 83 83 LEU HD23 H 1 0.734 0.015 . 1 . . . A 83 LEU HD23 . 18093 1 932 . 1 1 83 83 LEU C C 13 178.214 0.200 . 1 . . . A 83 LEU C . 18093 1 933 . 1 1 83 83 LEU CA C 13 58.237 0.058 . 1 . . . A 83 LEU CA . 18093 1 934 . 1 1 83 83 LEU CB C 13 41.791 0.016 . 1 . . . A 83 LEU CB . 18093 1 935 . 1 1 83 83 LEU CG C 13 27.027 0.200 . 1 . . . A 83 LEU CG . 18093 1 936 . 1 1 83 83 LEU CD1 C 13 24.540 0.069 . 2 . . . A 83 LEU CD1 . 18093 1 937 . 1 1 83 83 LEU CD2 C 13 23.668 0.016 . 2 . . . A 83 LEU CD2 . 18093 1 938 . 1 1 83 83 LEU N N 15 119.780 0.059 . 1 . . . A 83 LEU N . 18093 1 939 . 1 1 84 84 SER H H 1 8.023 0.007 . 1 . . . A 84 SER H . 18093 1 940 . 1 1 84 84 SER HA H 1 4.099 0.004 . 1 . . . A 84 SER HA . 18093 1 941 . 1 1 84 84 SER HB2 H 1 3.906 0.015 . 2 . . . A 84 SER HB2 . 18093 1 942 . 1 1 84 84 SER C C 13 176.799 0.200 . 1 . . . A 84 SER C . 18093 1 943 . 1 1 84 84 SER CA C 13 63.609 0.063 . 1 . . . A 84 SER CA . 18093 1 944 . 1 1 84 84 SER CB C 13 63.110 0.200 . 1 . . . A 84 SER CB . 18093 1 945 . 1 1 84 84 SER N N 15 114.559 0.082 . 1 . . . A 84 SER N . 18093 1 946 . 1 1 85 85 ILE H H 1 8.054 0.008 . 1 . . . A 85 ILE H . 18093 1 947 . 1 1 85 85 ILE HA H 1 3.604 0.017 . 1 . . . A 85 ILE HA . 18093 1 948 . 1 1 85 85 ILE HB H 1 1.839 0.016 . 1 . . . A 85 ILE HB . 18093 1 949 . 1 1 85 85 ILE HG12 H 1 1.363 0.007 . 2 . . . A 85 ILE HG12 . 18093 1 950 . 1 1 85 85 ILE HG13 H 1 1.061 0.012 . 2 . . . A 85 ILE HG13 . 18093 1 951 . 1 1 85 85 ILE HG21 H 1 0.797 0.001 . 1 . . . A 85 ILE HG21 . 18093 1 952 . 1 1 85 85 ILE HG22 H 1 0.797 0.001 . 1 . . . A 85 ILE HG22 . 18093 1 953 . 1 1 85 85 ILE HG23 H 1 0.797 0.001 . 1 . . . A 85 ILE HG23 . 18093 1 954 . 1 1 85 85 ILE HD11 H 1 0.774 0.008 . 1 . . . A 85 ILE HD11 . 18093 1 955 . 1 1 85 85 ILE HD12 H 1 0.774 0.008 . 1 . . . A 85 ILE HD12 . 18093 1 956 . 1 1 85 85 ILE HD13 H 1 0.774 0.008 . 1 . . . A 85 ILE HD13 . 18093 1 957 . 1 1 85 85 ILE C C 13 177.487 0.200 . 1 . . . A 85 ILE C . 18093 1 958 . 1 1 85 85 ILE CA C 13 65.759 0.069 . 1 . . . A 85 ILE CA . 18093 1 959 . 1 1 85 85 ILE CB C 13 37.887 0.098 . 1 . . . A 85 ILE CB . 18093 1 960 . 1 1 85 85 ILE CG1 C 13 28.483 0.025 . 1 . . . A 85 ILE CG1 . 18093 1 961 . 1 1 85 85 ILE CG2 C 13 17.341 0.173 . 1 . . . A 85 ILE CG2 . 18093 1 962 . 1 1 85 85 ILE CD1 C 13 13.487 0.098 . 1 . . . A 85 ILE CD1 . 18093 1 963 . 1 1 85 85 ILE N N 15 123.962 0.055 . 1 . . . A 85 ILE N . 18093 1 964 . 1 1 86 86 VAL H H 1 8.158 0.015 . 1 . . . A 86 VAL H . 18093 1 965 . 1 1 86 86 VAL HA H 1 3.519 0.007 . 1 . . . A 86 VAL HA . 18093 1 966 . 1 1 86 86 VAL HB H 1 2.208 0.004 . 1 . . . A 86 VAL HB . 18093 1 967 . 1 1 86 86 VAL HG11 H 1 1.034 0.001 . 1 . . . A 86 VAL HG11 . 18093 1 968 . 1 1 86 86 VAL HG12 H 1 1.034 0.001 . 1 . . . A 86 VAL HG12 . 18093 1 969 . 1 1 86 86 VAL HG13 H 1 1.034 0.001 . 1 . . . A 86 VAL HG13 . 18093 1 970 . 1 1 86 86 VAL HG21 H 1 0.888 0.013 . 1 . . . A 86 VAL HG21 . 18093 1 971 . 1 1 86 86 VAL HG22 H 1 0.888 0.013 . 1 . . . A 86 VAL HG22 . 18093 1 972 . 1 1 86 86 VAL HG23 H 1 0.888 0.013 . 1 . . . A 86 VAL HG23 . 18093 1 973 . 1 1 86 86 VAL C C 13 177.557 0.200 . 1 . . . A 86 VAL C . 18093 1 974 . 1 1 86 86 VAL CA C 13 67.535 0.057 . 1 . . . A 86 VAL CA . 18093 1 975 . 1 1 86 86 VAL CB C 13 31.466 0.137 . 1 . . . A 86 VAL CB . 18093 1 976 . 1 1 86 86 VAL CG1 C 13 22.960 0.006 . 2 . . . A 86 VAL CG1 . 18093 1 977 . 1 1 86 86 VAL CG2 C 13 22.033 0.085 . 2 . . . A 86 VAL CG2 . 18093 1 978 . 1 1 86 86 VAL N N 15 118.744 0.128 . 1 . . . A 86 VAL N . 18093 1 979 . 1 1 87 87 ILE H H 1 8.459 0.009 . 1 . . . A 87 ILE H . 18093 1 980 . 1 1 87 87 ILE HA H 1 3.604 0.010 . 1 . . . A 87 ILE HA . 18093 1 981 . 1 1 87 87 ILE HB H 1 1.944 0.013 . 1 . . . A 87 ILE HB . 18093 1 982 . 1 1 87 87 ILE HG13 H 1 1.256 0.012 . 2 . . . A 87 ILE HG13 . 18093 1 983 . 1 1 87 87 ILE HG21 H 1 0.766 0.002 . 1 . . . A 87 ILE HG21 . 18093 1 984 . 1 1 87 87 ILE HG22 H 1 0.766 0.002 . 1 . . . A 87 ILE HG22 . 18093 1 985 . 1 1 87 87 ILE HG23 H 1 0.766 0.002 . 1 . . . A 87 ILE HG23 . 18093 1 986 . 1 1 87 87 ILE HD11 H 1 0.732 0.003 . 1 . . . A 87 ILE HD11 . 18093 1 987 . 1 1 87 87 ILE HD12 H 1 0.732 0.003 . 1 . . . A 87 ILE HD12 . 18093 1 988 . 1 1 87 87 ILE HD13 H 1 0.732 0.003 . 1 . . . A 87 ILE HD13 . 18093 1 989 . 1 1 87 87 ILE C C 13 177.283 0.200 . 1 . . . A 87 ILE C . 18093 1 990 . 1 1 87 87 ILE CA C 13 65.676 0.016 . 1 . . . A 87 ILE CA . 18093 1 991 . 1 1 87 87 ILE CB C 13 37.589 0.021 . 1 . . . A 87 ILE CB . 18093 1 992 . 1 1 87 87 ILE CG1 C 13 28.547 0.200 . 1 . . . A 87 ILE CG1 . 18093 1 993 . 1 1 87 87 ILE CG2 C 13 17.432 0.073 . 1 . . . A 87 ILE CG2 . 18093 1 994 . 1 1 87 87 ILE CD1 C 13 13.480 0.039 . 1 . . . A 87 ILE CD1 . 18093 1 995 . 1 1 87 87 ILE N N 15 117.206 0.103 . 1 . . . A 87 ILE N . 18093 1 996 . 1 1 88 88 THR H H 1 7.776 0.008 . 1 . . . A 88 THR H . 18093 1 997 . 1 1 88 88 THR HA H 1 3.672 0.014 . 1 . . . A 88 THR HA . 18093 1 998 . 1 1 88 88 THR HB H 1 4.320 0.008 . 1 . . . A 88 THR HB . 18093 1 999 . 1 1 88 88 THR HG21 H 1 1.027 0.023 . 1 . . . A 88 THR HG21 . 18093 1 1000 . 1 1 88 88 THR HG22 H 1 1.027 0.023 . 1 . . . A 88 THR HG22 . 18093 1 1001 . 1 1 88 88 THR HG23 H 1 1.027 0.023 . 1 . . . A 88 THR HG23 . 18093 1 1002 . 1 1 88 88 THR C C 13 175.485 0.200 . 1 . . . A 88 THR C . 18093 1 1003 . 1 1 88 88 THR CA C 13 68.549 0.015 . 1 . . . A 88 THR CA . 18093 1 1004 . 1 1 88 88 THR CB C 13 68.127 0.200 . 1 . . . A 88 THR CB . 18093 1 1005 . 1 1 88 88 THR CG2 C 13 22.230 0.066 . 1 . . . A 88 THR CG2 . 18093 1 1006 . 1 1 88 88 THR N N 15 116.158 0.041 . 1 . . . A 88 THR N . 18093 1 1007 . 1 1 89 89 VAL H H 1 8.206 0.013 . 1 . . . A 89 VAL H . 18093 1 1008 . 1 1 89 89 VAL HA H 1 3.543 0.011 . 1 . . . A 89 VAL HA . 18093 1 1009 . 1 1 89 89 VAL HB H 1 2.013 0.005 . 1 . . . A 89 VAL HB . 18093 1 1010 . 1 1 89 89 VAL HG11 H 1 0.907 0.005 . 1 . . . A 89 VAL HG11 . 18093 1 1011 . 1 1 89 89 VAL HG12 H 1 0.907 0.005 . 1 . . . A 89 VAL HG12 . 18093 1 1012 . 1 1 89 89 VAL HG13 H 1 0.907 0.005 . 1 . . . A 89 VAL HG13 . 18093 1 1013 . 1 1 89 89 VAL HG21 H 1 0.618 0.003 . 1 . . . A 89 VAL HG21 . 18093 1 1014 . 1 1 89 89 VAL HG22 H 1 0.618 0.003 . 1 . . . A 89 VAL HG22 . 18093 1 1015 . 1 1 89 89 VAL HG23 H 1 0.618 0.003 . 1 . . . A 89 VAL HG23 . 18093 1 1016 . 1 1 89 89 VAL C C 13 177.393 0.200 . 1 . . . A 89 VAL C . 18093 1 1017 . 1 1 89 89 VAL CA C 13 66.590 0.025 . 1 . . . A 89 VAL CA . 18093 1 1018 . 1 1 89 89 VAL CB C 13 31.778 0.200 . 1 . . . A 89 VAL CB . 18093 1 1019 . 1 1 89 89 VAL CG1 C 13 22.958 0.200 . 2 . . . A 89 VAL CG1 . 18093 1 1020 . 1 1 89 89 VAL CG2 C 13 21.640 0.086 . 2 . . . A 89 VAL CG2 . 18093 1 1021 . 1 1 89 89 VAL N N 15 117.985 0.058 . 1 . . . A 89 VAL N . 18093 1 1022 . 1 1 90 90 PHE H H 1 7.956 0.008 . 1 . . . A 90 PHE H . 18093 1 1023 . 1 1 90 90 PHE HA H 1 4.378 0.006 . 1 . . . A 90 PHE HA . 18093 1 1024 . 1 1 90 90 PHE HB2 H 1 3.164 0.009 . 2 . . . A 90 PHE HB2 . 18093 1 1025 . 1 1 90 90 PHE HB3 H 1 3.103 0.015 . 2 . . . A 90 PHE HB3 . 18093 1 1026 . 1 1 90 90 PHE HD1 H 1 7.248 0.017 . 3 . . . A 90 PHE HD1 . 18093 1 1027 . 1 1 90 90 PHE HE1 H 1 7.126 0.015 . 3 . . . A 90 PHE HE1 . 18093 1 1028 . 1 1 90 90 PHE C C 13 177.305 0.200 . 1 . . . A 90 PHE C . 18093 1 1029 . 1 1 90 90 PHE CA C 13 61.119 0.097 . 1 . . . A 90 PHE CA . 18093 1 1030 . 1 1 90 90 PHE CB C 13 39.385 0.036 . 1 . . . A 90 PHE CB . 18093 1 1031 . 1 1 90 90 PHE CD1 C 13 131.763 0.200 . 3 . . . A 90 PHE CD1 . 18093 1 1032 . 1 1 90 90 PHE CE1 C 13 130.672 0.200 . 3 . . . A 90 PHE CE1 . 18093 1 1033 . 1 1 90 90 PHE N N 15 116.709 0.116 . 1 . . . A 90 PHE N . 18093 1 1034 . 1 1 91 91 VAL H H 1 8.239 0.011 . 1 . . . A 91 VAL H . 18093 1 1035 . 1 1 91 91 VAL HA H 1 3.835 0.005 . 1 . . . A 91 VAL HA . 18093 1 1036 . 1 1 91 91 VAL HB H 1 2.297 0.015 . 1 . . . A 91 VAL HB . 18093 1 1037 . 1 1 91 91 VAL HG11 H 1 1.048 0.007 . 1 . . . A 91 VAL HG11 . 18093 1 1038 . 1 1 91 91 VAL HG12 H 1 1.048 0.007 . 1 . . . A 91 VAL HG12 . 18093 1 1039 . 1 1 91 91 VAL HG13 H 1 1.048 0.007 . 1 . . . A 91 VAL HG13 . 18093 1 1040 . 1 1 91 91 VAL HG21 H 1 0.933 0.007 . 1 . . . A 91 VAL HG21 . 18093 1 1041 . 1 1 91 91 VAL HG22 H 1 0.933 0.007 . 1 . . . A 91 VAL HG22 . 18093 1 1042 . 1 1 91 91 VAL HG23 H 1 0.933 0.007 . 1 . . . A 91 VAL HG23 . 18093 1 1043 . 1 1 91 91 VAL C C 13 176.927 0.200 . 1 . . . A 91 VAL C . 18093 1 1044 . 1 1 91 91 VAL CA C 13 65.347 0.045 . 1 . . . A 91 VAL CA . 18093 1 1045 . 1 1 91 91 VAL CB C 13 31.867 0.017 . 1 . . . A 91 VAL CB . 18093 1 1046 . 1 1 91 91 VAL CG1 C 13 22.648 0.072 . 2 . . . A 91 VAL CG1 . 18093 1 1047 . 1 1 91 91 VAL CG2 C 13 21.989 0.087 . 2 . . . A 91 VAL CG2 . 18093 1 1048 . 1 1 91 91 VAL N N 15 116.565 0.092 . 1 . . . A 91 VAL N . 18093 1 1049 . 1 1 92 92 LEU H H 1 7.967 0.007 . 1 . . . A 92 LEU H . 18093 1 1050 . 1 1 92 92 LEU HA H 1 4.194 0.014 . 1 . . . A 92 LEU HA . 18093 1 1051 . 1 1 92 92 LEU HB2 H 1 1.818 0.005 . 2 . . . A 92 LEU HB2 . 18093 1 1052 . 1 1 92 92 LEU HB3 H 1 1.540 0.006 . 2 . . . A 92 LEU HB3 . 18093 1 1053 . 1 1 92 92 LEU HG H 1 1.792 0.004 . 1 . . . A 92 LEU HG . 18093 1 1054 . 1 1 92 92 LEU HD11 H 1 0.809 0.005 . 1 . . . A 92 LEU HD11 . 18093 1 1055 . 1 1 92 92 LEU HD12 H 1 0.809 0.005 . 1 . . . A 92 LEU HD12 . 18093 1 1056 . 1 1 92 92 LEU HD13 H 1 0.809 0.005 . 1 . . . A 92 LEU HD13 . 18093 1 1057 . 1 1 92 92 LEU HD21 H 1 0.808 0.003 . 1 . . . A 92 LEU HD21 . 18093 1 1058 . 1 1 92 92 LEU HD22 H 1 0.808 0.003 . 1 . . . A 92 LEU HD22 . 18093 1 1059 . 1 1 92 92 LEU HD23 H 1 0.808 0.003 . 1 . . . A 92 LEU HD23 . 18093 1 1060 . 1 1 92 92 LEU C C 13 177.180 0.200 . 1 . . . A 92 LEU C . 18093 1 1061 . 1 1 92 92 LEU CA C 13 56.184 0.034 . 1 . . . A 92 LEU CA . 18093 1 1062 . 1 1 92 92 LEU CB C 13 41.944 0.157 . 1 . . . A 92 LEU CB . 18093 1 1063 . 1 1 92 92 LEU CG C 13 26.907 0.123 . 1 . . . A 92 LEU CG . 18093 1 1064 . 1 1 92 92 LEU CD1 C 13 25.738 0.200 . 2 . . . A 92 LEU CD1 . 18093 1 1065 . 1 1 92 92 LEU CD2 C 13 24.245 0.108 . 2 . . . A 92 LEU CD2 . 18093 1 1066 . 1 1 92 92 LEU N N 15 117.443 0.115 . 1 . . . A 92 LEU N . 18093 1 1067 . 1 1 93 93 ASN H H 1 7.683 0.006 . 1 . . . A 93 ASN H . 18093 1 1068 . 1 1 93 93 ASN HA H 1 4.647 0.003 . 1 . . . A 93 ASN HA . 18093 1 1069 . 1 1 93 93 ASN HB2 H 1 2.820 0.005 . 2 . . . A 93 ASN HB2 . 18093 1 1070 . 1 1 93 93 ASN HB3 H 1 2.622 0.001 . 2 . . . A 93 ASN HB3 . 18093 1 1071 . 1 1 93 93 ASN HD21 H 1 7.473 0.015 . 2 . . . A 93 ASN HD21 . 18093 1 1072 . 1 1 93 93 ASN HD22 H 1 6.748 0.024 . 2 . . . A 93 ASN HD22 . 18093 1 1073 . 1 1 93 93 ASN C C 13 175.129 0.200 . 1 . . . A 93 ASN C . 18093 1 1074 . 1 1 93 93 ASN CA C 13 53.854 0.045 . 1 . . . A 93 ASN CA . 18093 1 1075 . 1 1 93 93 ASN CB C 13 39.395 0.100 . 1 . . . A 93 ASN CB . 18093 1 1076 . 1 1 93 93 ASN N N 15 116.705 0.062 . 1 . . . A 93 ASN N . 18093 1 1077 . 1 1 93 93 ASN ND2 N 15 112.193 0.026 . 1 . . . A 93 ASN ND2 . 18093 1 1078 . 1 1 94 94 VAL H H 1 7.627 0.002 . 1 . . . A 94 VAL H . 18093 1 1079 . 1 1 94 94 VAL HA H 1 3.961 0.002 . 1 . . . A 94 VAL HA . 18093 1 1080 . 1 1 94 94 VAL HB H 1 1.963 0.013 . 1 . . . A 94 VAL HB . 18093 1 1081 . 1 1 94 94 VAL HG11 H 1 0.790 0.007 . 1 . . . A 94 VAL HG11 . 18093 1 1082 . 1 1 94 94 VAL HG12 H 1 0.790 0.007 . 1 . . . A 94 VAL HG12 . 18093 1 1083 . 1 1 94 94 VAL HG13 H 1 0.790 0.007 . 1 . . . A 94 VAL HG13 . 18093 1 1084 . 1 1 94 94 VAL HG21 H 1 0.761 0.001 . 1 . . . A 94 VAL HG21 . 18093 1 1085 . 1 1 94 94 VAL HG22 H 1 0.761 0.001 . 1 . . . A 94 VAL HG22 . 18093 1 1086 . 1 1 94 94 VAL HG23 H 1 0.761 0.001 . 1 . . . A 94 VAL HG23 . 18093 1 1087 . 1 1 94 94 VAL C C 13 175.600 0.200 . 1 . . . A 94 VAL C . 18093 1 1088 . 1 1 94 94 VAL CA C 13 62.825 0.071 . 1 . . . A 94 VAL CA . 18093 1 1089 . 1 1 94 94 VAL CB C 13 32.214 0.054 . 1 . . . A 94 VAL CB . 18093 1 1090 . 1 1 94 94 VAL CG1 C 13 20.905 0.003 . 2 . . . A 94 VAL CG1 . 18093 1 1091 . 1 1 94 94 VAL CG2 C 13 21.249 0.049 . 2 . . . A 94 VAL CG2 . 18093 1 1092 . 1 1 94 94 VAL N N 15 118.224 0.037 . 1 . . . A 94 VAL N . 18093 1 1093 . 1 1 95 95 HIS H H 1 8.263 0.006 . 1 . . . A 95 HIS H . 18093 1 1094 . 1 1 95 95 HIS HA H 1 4.593 0.020 . 1 . . . A 95 HIS HA . 18093 1 1095 . 1 1 95 95 HIS HB2 H 1 3.188 0.002 . 2 . . . A 95 HIS HB2 . 18093 1 1096 . 1 1 95 95 HIS HB3 H 1 3.096 0.015 . 2 . . . A 95 HIS HB3 . 18093 1 1097 . 1 1 95 95 HIS HD2 H 1 7.119 0.015 . 1 . . . A 95 HIS HD2 . 18093 1 1098 . 1 1 95 95 HIS C C 13 174.146 0.200 . 1 . . . A 95 HIS C . 18093 1 1099 . 1 1 95 95 HIS CA C 13 55.666 0.041 . 1 . . . A 95 HIS CA . 18093 1 1100 . 1 1 95 95 HIS CB C 13 29.736 0.038 . 1 . . . A 95 HIS CB . 18093 1 1101 . 1 1 95 95 HIS CD2 C 13 120.256 0.200 . 1 . . . A 95 HIS CD2 . 18093 1 1102 . 1 1 95 95 HIS N N 15 120.999 0.084 . 1 . . . A 95 HIS N . 18093 1 1103 . 1 1 96 96 HIS H H 1 8.298 0.009 . 1 . . . A 96 HIS H . 18093 1 1104 . 1 1 96 96 HIS HA H 1 4.633 0.012 . 1 . . . A 96 HIS HA . 18093 1 1105 . 1 1 96 96 HIS HB2 H 1 3.175 0.011 . 2 . . . A 96 HIS HB2 . 18093 1 1106 . 1 1 96 96 HIS HB3 H 1 3.055 0.015 . 2 . . . A 96 HIS HB3 . 18093 1 1107 . 1 1 96 96 HIS HD2 H 1 7.240 0.015 . 1 . . . A 96 HIS HD2 . 18093 1 1108 . 1 1 96 96 HIS CA C 13 55.895 0.242 . 1 . . . A 96 HIS CA . 18093 1 1109 . 1 1 96 96 HIS CB C 13 29.750 0.006 . 1 . . . A 96 HIS CB . 18093 1 1110 . 1 1 96 96 HIS CD2 C 13 120.121 0.200 . 1 . . . A 96 HIS CD2 . 18093 1 1111 . 1 1 96 96 HIS N N 15 122.740 0.029 . 1 . . . A 96 HIS N . 18093 1 1112 . 1 1 97 97 ARG H H 1 8.250 0.025 . 1 . . . A 97 ARG H . 18093 1 1113 . 1 1 97 97 ARG HA H 1 4.312 0.002 . 1 . . . A 97 ARG HA . 18093 1 1114 . 1 1 97 97 ARG HB2 H 1 1.802 0.012 . 2 . . . A 97 ARG HB2 . 18093 1 1115 . 1 1 97 97 ARG HB3 H 1 1.718 0.015 . 2 . . . A 97 ARG HB3 . 18093 1 1116 . 1 1 97 97 ARG HG2 H 1 1.571 0.009 . 2 . . . A 97 ARG HG2 . 18093 1 1117 . 1 1 97 97 ARG HD2 H 1 3.169 0.015 . 2 . . . A 97 ARG HD2 . 18093 1 1118 . 1 1 97 97 ARG C C 13 175.776 0.200 . 1 . . . A 97 ARG C . 18093 1 1119 . 1 1 97 97 ARG CA C 13 56.225 0.005 . 1 . . . A 97 ARG CA . 18093 1 1120 . 1 1 97 97 ARG CB C 13 30.912 0.054 . 1 . . . A 97 ARG CB . 18093 1 1121 . 1 1 97 97 ARG CG C 13 27.160 0.200 . 1 . . . A 97 ARG CG . 18093 1 1122 . 1 1 97 97 ARG CD C 13 43.451 0.200 . 1 . . . A 97 ARG CD . 18093 1 1123 . 1 1 97 97 ARG N N 15 118.503 0.300 . 1 . . . A 97 ARG N . 18093 1 1124 . 1 1 98 98 SER H H 1 8.254 0.004 . 1 . . . A 98 SER H . 18093 1 1125 . 1 1 98 98 SER HA H 1 4.722 0.012 . 1 . . . A 98 SER HA . 18093 1 1126 . 1 1 98 98 SER HB2 H 1 3.849 0.004 . 2 . . . A 98 SER HB2 . 18093 1 1127 . 1 1 98 98 SER CA C 13 56.547 0.031 . 1 . . . A 98 SER CA . 18093 1 1128 . 1 1 98 98 SER CB C 13 63.624 0.200 . 1 . . . A 98 SER CB . 18093 1 1129 . 1 1 98 98 SER N N 15 118.482 0.019 . 1 . . . A 98 SER N . 18093 1 1130 . 1 1 99 99 PRO HA H 1 4.403 0.002 . 1 . . . A 99 PRO HA . 18093 1 1131 . 1 1 99 99 PRO HB2 H 1 2.271 0.015 . 2 . . . A 99 PRO HB2 . 18093 1 1132 . 1 1 99 99 PRO HB3 H 1 1.917 0.015 . 2 . . . A 99 PRO HB3 . 18093 1 1133 . 1 1 99 99 PRO HG2 H 1 2.003 0.015 . 2 . . . A 99 PRO HG2 . 18093 1 1134 . 1 1 99 99 PRO HG3 H 1 1.978 0.015 . 2 . . . A 99 PRO HG3 . 18093 1 1135 . 1 1 99 99 PRO HD2 H 1 3.788 0.004 . 2 . . . A 99 PRO HD2 . 18093 1 1136 . 1 1 99 99 PRO HD3 H 1 3.735 0.001 . 2 . . . A 99 PRO HD3 . 18093 1 1137 . 1 1 99 99 PRO C C 13 176.899 0.200 . 1 . . . A 99 PRO C . 18093 1 1138 . 1 1 99 99 PRO CA C 13 63.701 0.027 . 1 . . . A 99 PRO CA . 18093 1 1139 . 1 1 99 99 PRO CB C 13 31.949 0.078 . 1 . . . A 99 PRO CB . 18093 1 1140 . 1 1 99 99 PRO CG C 13 27.413 0.011 . 1 . . . A 99 PRO CG . 18093 1 1141 . 1 1 99 99 PRO CD C 13 50.798 0.006 . 1 . . . A 99 PRO CD . 18093 1 1142 . 1 1 100 100 GLU H H 1 8.401 0.002 . 1 . . . A 100 GLU H . 18093 1 1143 . 1 1 100 100 GLU HA H 1 4.288 0.005 . 1 . . . A 100 GLU HA . 18093 1 1144 . 1 1 100 100 GLU HB2 H 1 2.019 0.003 . 2 . . . A 100 GLU HB2 . 18093 1 1145 . 1 1 100 100 GLU HB3 H 1 1.928 0.013 . 2 . . . A 100 GLU HB3 . 18093 1 1146 . 1 1 100 100 GLU HG2 H 1 2.251 0.004 . 2 . . . A 100 GLU HG2 . 18093 1 1147 . 1 1 100 100 GLU C C 13 176.593 0.200 . 1 . . . A 100 GLU C . 18093 1 1148 . 1 1 100 100 GLU CA C 13 56.722 0.033 . 1 . . . A 100 GLU CA . 18093 1 1149 . 1 1 100 100 GLU CB C 13 29.999 0.022 . 1 . . . A 100 GLU CB . 18093 1 1150 . 1 1 100 100 GLU CG C 13 36.010 0.010 . 1 . . . A 100 GLU CG . 18093 1 1151 . 1 1 100 100 GLU N N 15 120.187 0.038 . 1 . . . A 100 GLU N . 18093 1 1152 . 1 1 101 101 THR H H 1 7.945 0.003 . 1 . . . A 101 THR H . 18093 1 1153 . 1 1 101 101 THR HA H 1 4.286 0.005 . 1 . . . A 101 THR HA . 18093 1 1154 . 1 1 101 101 THR HB H 1 4.179 0.001 . 1 . . . A 101 THR HB . 18093 1 1155 . 1 1 101 101 THR HG21 H 1 1.144 0.007 . 1 . . . A 101 THR HG21 . 18093 1 1156 . 1 1 101 101 THR HG22 H 1 1.144 0.007 . 1 . . . A 101 THR HG22 . 18093 1 1157 . 1 1 101 101 THR HG23 H 1 1.144 0.007 . 1 . . . A 101 THR HG23 . 18093 1 1158 . 1 1 101 101 THR C C 13 174.525 0.200 . 1 . . . A 101 THR C . 18093 1 1159 . 1 1 101 101 THR CA C 13 61.956 0.022 . 1 . . . A 101 THR CA . 18093 1 1160 . 1 1 101 101 THR CB C 13 69.697 0.135 . 1 . . . A 101 THR CB . 18093 1 1161 . 1 1 101 101 THR CG2 C 13 21.779 0.076 . 1 . . . A 101 THR CG2 . 18093 1 1162 . 1 1 101 101 THR N N 15 113.968 0.086 . 1 . . . A 101 THR N . 18093 1 1163 . 1 1 102 102 HIS H H 1 8.455 0.013 . 1 . . . A 102 HIS H . 18093 1 1164 . 1 1 102 102 HIS HA H 1 4.741 0.018 . 1 . . . A 102 HIS HA . 18093 1 1165 . 1 1 102 102 HIS HB2 H 1 3.306 0.015 . 2 . . . A 102 HIS HB2 . 18093 1 1166 . 1 1 102 102 HIS HB3 H 1 3.188 0.015 . 2 . . . A 102 HIS HB3 . 18093 1 1167 . 1 1 102 102 HIS HD2 H 1 7.175 0.015 . 1 . . . A 102 HIS HD2 . 18093 1 1168 . 1 1 102 102 HIS C C 13 174.783 0.200 . 1 . . . A 102 HIS C . 18093 1 1169 . 1 1 102 102 HIS CA C 13 55.701 0.039 . 1 . . . A 102 HIS CA . 18093 1 1170 . 1 1 102 102 HIS CB C 13 29.093 0.041 . 1 . . . A 102 HIS CB . 18093 1 1171 . 1 1 102 102 HIS CD2 C 13 120.188 0.200 . 1 . . . A 102 HIS CD2 . 18093 1 1172 . 1 1 102 102 HIS N N 15 120.322 0.028 . 1 . . . A 102 HIS N . 18093 1 1173 . 1 1 103 103 THR H H 1 8.069 0.008 . 1 . . . A 103 THR H . 18093 1 1174 . 1 1 103 103 THR HA H 1 4.352 0.010 . 1 . . . A 103 THR HA . 18093 1 1175 . 1 1 103 103 THR HB H 1 4.240 0.012 . 1 . . . A 103 THR HB . 18093 1 1176 . 1 1 103 103 THR HG21 H 1 1.175 0.012 . 1 . . . A 103 THR HG21 . 18093 1 1177 . 1 1 103 103 THR HG22 H 1 1.175 0.012 . 1 . . . A 103 THR HG22 . 18093 1 1178 . 1 1 103 103 THR HG23 H 1 1.175 0.012 . 1 . . . A 103 THR HG23 . 18093 1 1179 . 1 1 103 103 THR C C 13 175.104 0.200 . 1 . . . A 103 THR C . 18093 1 1180 . 1 1 103 103 THR CA C 13 62.057 0.018 . 1 . . . A 103 THR CA . 18093 1 1181 . 1 1 103 103 THR CB C 13 69.966 0.353 . 1 . . . A 103 THR CB . 18093 1 1182 . 1 1 103 103 THR CG2 C 13 21.928 0.042 . 1 . . . A 103 THR CG2 . 18093 1 1183 . 1 1 103 103 THR N N 15 114.282 0.025 . 1 . . . A 103 THR N . 18093 1 1184 . 1 1 104 104 GLY H H 1 8.393 0.006 . 1 . . . A 104 GLY H . 18093 1 1185 . 1 1 104 104 GLY HA2 H 1 3.993 0.006 . 2 . . . A 104 GLY HA2 . 18093 1 1186 . 1 1 104 104 GLY C C 13 174.776 0.200 . 1 . . . A 104 GLY C . 18093 1 1187 . 1 1 104 104 GLY CA C 13 45.588 0.200 . 1 . . . A 104 GLY CA . 18093 1 1188 . 1 1 104 104 GLY N N 15 111.159 0.020 . 1 . . . A 104 GLY N . 18093 1 1189 . 1 1 105 105 GLY H H 1 8.275 0.003 . 1 . . . A 105 GLY H . 18093 1 1190 . 1 1 105 105 GLY HA2 H 1 3.989 0.006 . 2 . . . A 105 GLY HA2 . 18093 1 1191 . 1 1 105 105 GLY C C 13 174.957 0.200 . 1 . . . A 105 GLY C . 18093 1 1192 . 1 1 105 105 GLY CA C 13 45.612 0.200 . 1 . . . A 105 GLY CA . 18093 1 1193 . 1 1 105 105 GLY N N 15 108.657 0.024 . 1 . . . A 105 GLY N . 18093 1 1194 . 1 1 106 106 GLY H H 1 8.357 0.005 . 1 . . . A 106 GLY H . 18093 1 1195 . 1 1 106 106 GLY HA2 H 1 3.977 0.001 . 2 . . . A 106 GLY HA2 . 18093 1 1196 . 1 1 106 106 GLY C C 13 174.877 0.200 . 1 . . . A 106 GLY C . 18093 1 1197 . 1 1 106 106 GLY CA C 13 45.665 0.200 . 1 . . . A 106 GLY CA . 18093 1 1198 . 1 1 106 106 GLY N N 15 108.870 0.300 . 1 . . . A 106 GLY N . 18093 1 1199 . 1 1 107 107 GLY H H 1 8.330 0.003 . 1 . . . A 107 GLY H . 18093 1 1200 . 1 1 107 107 GLY HA2 H 1 3.973 0.004 . 2 . . . A 107 GLY HA2 . 18093 1 1201 . 1 1 107 107 GLY C C 13 174.877 0.200 . 1 . . . A 107 GLY C . 18093 1 1202 . 1 1 107 107 GLY CA C 13 45.696 0.200 . 1 . . . A 107 GLY CA . 18093 1 1203 . 1 1 107 107 GLY N N 15 108.476 0.032 . 1 . . . A 107 GLY N . 18093 1 1204 . 1 1 108 108 GLY H H 1 8.328 0.004 . 1 . . . A 108 GLY H . 18093 1 1205 . 1 1 108 108 GLY HA2 H 1 3.971 0.003 . 2 . . . A 108 GLY HA2 . 18093 1 1206 . 1 1 108 108 GLY C C 13 175.345 0.200 . 1 . . . A 108 GLY C . 18093 1 1207 . 1 1 108 108 GLY CA C 13 45.763 0.200 . 1 . . . A 108 GLY CA . 18093 1 1208 . 1 1 108 108 GLY N N 15 108.486 0.033 . 1 . . . A 108 GLY N . 18093 1 1209 . 1 1 109 109 ILE H H 1 8.192 0.003 . 1 . . . A 109 ILE H . 18093 1 1210 . 1 1 109 109 ILE HA H 1 3.968 0.013 . 1 . . . A 109 ILE HA . 18093 1 1211 . 1 1 109 109 ILE HB H 1 1.883 0.008 . 1 . . . A 109 ILE HB . 18093 1 1212 . 1 1 109 109 ILE HG12 H 1 1.463 0.008 . 2 . . . A 109 ILE HG12 . 18093 1 1213 . 1 1 109 109 ILE HG13 H 1 1.190 0.008 . 2 . . . A 109 ILE HG13 . 18093 1 1214 . 1 1 109 109 ILE HG21 H 1 0.878 0.012 . 1 . . . A 109 ILE HG21 . 18093 1 1215 . 1 1 109 109 ILE HG22 H 1 0.878 0.012 . 1 . . . A 109 ILE HG22 . 18093 1 1216 . 1 1 109 109 ILE HG23 H 1 0.878 0.012 . 1 . . . A 109 ILE HG23 . 18093 1 1217 . 1 1 109 109 ILE HD11 H 1 0.825 0.001 . 1 . . . A 109 ILE HD11 . 18093 1 1218 . 1 1 109 109 ILE HD12 H 1 0.825 0.001 . 1 . . . A 109 ILE HD12 . 18093 1 1219 . 1 1 109 109 ILE HD13 H 1 0.825 0.001 . 1 . . . A 109 ILE HD13 . 18093 1 1220 . 1 1 109 109 ILE C C 13 176.127 0.200 . 1 . . . A 109 ILE C . 18093 1 1221 . 1 1 109 109 ILE CA C 13 62.735 0.018 . 1 . . . A 109 ILE CA . 18093 1 1222 . 1 1 109 109 ILE CB C 13 38.125 0.047 . 1 . . . A 109 ILE CB . 18093 1 1223 . 1 1 109 109 ILE CG1 C 13 28.428 0.025 . 1 . . . A 109 ILE CG1 . 18093 1 1224 . 1 1 109 109 ILE CG2 C 13 17.968 0.038 . 1 . . . A 109 ILE CG2 . 18093 1 1225 . 1 1 109 109 ILE CD1 C 13 13.323 0.023 . 1 . . . A 109 ILE CD1 . 18093 1 1226 . 1 1 109 109 ILE N N 15 120.433 0.065 . 1 . . . A 109 ILE N . 18093 1 1227 . 1 1 110 110 ASP H H 1 8.427 0.005 . 1 . . . A 110 ASP H . 18093 1 1228 . 1 1 110 110 ASP HA H 1 4.306 0.009 . 1 . . . A 110 ASP HA . 18093 1 1229 . 1 1 110 110 ASP HB2 H 1 2.657 0.014 . 2 . . . A 110 ASP HB2 . 18093 1 1230 . 1 1 110 110 ASP HB3 H 1 2.612 0.015 . 2 . . . A 110 ASP HB3 . 18093 1 1231 . 1 1 110 110 ASP C C 13 177.651 0.200 . 1 . . . A 110 ASP C . 18093 1 1232 . 1 1 110 110 ASP CA C 13 56.776 0.037 . 1 . . . A 110 ASP CA . 18093 1 1233 . 1 1 110 110 ASP CB C 13 41.097 0.009 . 1 . . . A 110 ASP CB . 18093 1 1234 . 1 1 110 110 ASP N N 15 121.148 0.052 . 1 . . . A 110 ASP N . 18093 1 1235 . 1 1 111 111 ARG H H 1 7.850 0.006 . 1 . . . A 111 ARG H . 18093 1 1236 . 1 1 111 111 ARG HA H 1 3.996 0.006 . 1 . . . A 111 ARG HA . 18093 1 1237 . 1 1 111 111 ARG HB2 H 1 1.909 0.006 . 2 . . . A 111 ARG HB2 . 18093 1 1238 . 1 1 111 111 ARG HB3 H 1 1.894 0.015 . 2 . . . A 111 ARG HB3 . 18093 1 1239 . 1 1 111 111 ARG HG2 H 1 1.753 0.006 . 2 . . . A 111 ARG HG2 . 18093 1 1240 . 1 1 111 111 ARG HG3 H 1 1.626 0.008 . 2 . . . A 111 ARG HG3 . 18093 1 1241 . 1 1 111 111 ARG HD2 H 1 3.273 0.005 . 2 . . . A 111 ARG HD2 . 18093 1 1242 . 1 1 111 111 ARG C C 13 177.786 0.200 . 1 . . . A 111 ARG C . 18093 1 1243 . 1 1 111 111 ARG CA C 13 58.942 0.035 . 1 . . . A 111 ARG CA . 18093 1 1244 . 1 1 111 111 ARG CB C 13 30.196 0.197 . 1 . . . A 111 ARG CB . 18093 1 1245 . 1 1 111 111 ARG CG C 13 27.238 0.136 . 1 . . . A 111 ARG CG . 18093 1 1246 . 1 1 111 111 ARG CD C 13 43.561 0.091 . 1 . . . A 111 ARG CD . 18093 1 1247 . 1 1 111 111 ARG N N 15 119.228 0.027 . 1 . . . A 111 ARG N . 18093 1 1248 . 1 1 112 112 ILE H H 1 7.764 0.010 . 1 . . . A 112 ILE H . 18093 1 1249 . 1 1 112 112 ILE HA H 1 3.813 0.012 . 1 . . . A 112 ILE HA . 18093 1 1250 . 1 1 112 112 ILE HB H 1 1.943 0.011 . 1 . . . A 112 ILE HB . 18093 1 1251 . 1 1 112 112 ILE HG12 H 1 1.612 0.014 . 2 . . . A 112 ILE HG12 . 18093 1 1252 . 1 1 112 112 ILE HG13 H 1 1.162 0.017 . 2 . . . A 112 ILE HG13 . 18093 1 1253 . 1 1 112 112 ILE HG21 H 1 0.762 0.001 . 1 . . . A 112 ILE HG21 . 18093 1 1254 . 1 1 112 112 ILE HG22 H 1 0.762 0.001 . 1 . . . A 112 ILE HG22 . 18093 1 1255 . 1 1 112 112 ILE HG23 H 1 0.762 0.001 . 1 . . . A 112 ILE HG23 . 18093 1 1256 . 1 1 112 112 ILE HD11 H 1 0.825 0.003 . 1 . . . A 112 ILE HD11 . 18093 1 1257 . 1 1 112 112 ILE HD12 H 1 0.825 0.003 . 1 . . . A 112 ILE HD12 . 18093 1 1258 . 1 1 112 112 ILE HD13 H 1 0.825 0.003 . 1 . . . A 112 ILE HD13 . 18093 1 1259 . 1 1 112 112 ILE C C 13 177.496 0.200 . 1 . . . A 112 ILE C . 18093 1 1260 . 1 1 112 112 ILE CA C 13 64.812 0.062 . 1 . . . A 112 ILE CA . 18093 1 1261 . 1 1 112 112 ILE CB C 13 37.727 0.195 . 1 . . . A 112 ILE CB . 18093 1 1262 . 1 1 112 112 ILE CG1 C 13 29.022 0.145 . 1 . . . A 112 ILE CG1 . 18093 1 1263 . 1 1 112 112 ILE CG2 C 13 17.474 0.063 . 1 . . . A 112 ILE CG2 . 18093 1 1264 . 1 1 112 112 ILE CD1 C 13 13.312 0.034 . 1 . . . A 112 ILE CD1 . 18093 1 1265 . 1 1 112 112 ILE N N 15 118.000 0.090 . 1 . . . A 112 ILE N . 18093 1 1266 . 1 1 113 113 PHE H H 1 7.963 0.009 . 1 . . . A 113 PHE H . 18093 1 1267 . 1 1 113 113 PHE HA H 1 4.255 0.015 . 1 . . . A 113 PHE HA . 18093 1 1268 . 1 1 113 113 PHE HB2 H 1 3.122 0.014 . 2 . . . A 113 PHE HB2 . 18093 1 1269 . 1 1 113 113 PHE HD1 H 1 7.230 0.013 . 3 . . . A 113 PHE HD1 . 18093 1 1270 . 1 1 113 113 PHE HE1 H 1 7.119 0.015 . 3 . . . A 113 PHE HE1 . 18093 1 1271 . 1 1 113 113 PHE C C 13 177.218 0.200 . 1 . . . A 113 PHE C . 18093 1 1272 . 1 1 113 113 PHE CA C 13 61.433 0.085 . 1 . . . A 113 PHE CA . 18093 1 1273 . 1 1 113 113 PHE CB C 13 38.807 0.065 . 1 . . . A 113 PHE CB . 18093 1 1274 . 1 1 113 113 PHE CD1 C 13 131.026 0.200 . 3 . . . A 113 PHE CD1 . 18093 1 1275 . 1 1 113 113 PHE CE1 C 13 130.786 0.200 . 3 . . . A 113 PHE CE1 . 18093 1 1276 . 1 1 113 113 PHE N N 15 118.367 0.017 . 1 . . . A 113 PHE N . 18093 1 1277 . 1 1 114 114 LEU H H 1 7.939 0.008 . 1 . . . A 114 LEU H . 18093 1 1278 . 1 1 114 114 LEU HA H 1 3.997 0.014 . 1 . . . A 114 LEU HA . 18093 1 1279 . 1 1 114 114 LEU HB2 H 1 1.628 0.008 . 2 . . . A 114 LEU HB2 . 18093 1 1280 . 1 1 114 114 LEU HG H 1 1.436 0.006 . 1 . . . A 114 LEU HG . 18093 1 1281 . 1 1 114 114 LEU HD11 H 1 0.810 0.015 . 1 . . . A 114 LEU HD11 . 18093 1 1282 . 1 1 114 114 LEU HD12 H 1 0.810 0.015 . 1 . . . A 114 LEU HD12 . 18093 1 1283 . 1 1 114 114 LEU HD13 H 1 0.810 0.015 . 1 . . . A 114 LEU HD13 . 18093 1 1284 . 1 1 114 114 LEU HD21 H 1 0.701 0.005 . 1 . . . A 114 LEU HD21 . 18093 1 1285 . 1 1 114 114 LEU HD22 H 1 0.701 0.005 . 1 . . . A 114 LEU HD22 . 18093 1 1286 . 1 1 114 114 LEU HD23 H 1 0.701 0.005 . 1 . . . A 114 LEU HD23 . 18093 1 1287 . 1 1 114 114 LEU C C 13 178.297 0.200 . 1 . . . A 114 LEU C . 18093 1 1288 . 1 1 114 114 LEU CA C 13 58.611 0.020 . 1 . . . A 114 LEU CA . 18093 1 1289 . 1 1 114 114 LEU CB C 13 41.952 0.131 . 1 . . . A 114 LEU CB . 18093 1 1290 . 1 1 114 114 LEU CG C 13 27.240 0.045 . 1 . . . A 114 LEU CG . 18093 1 1291 . 1 1 114 114 LEU CD1 C 13 25.826 0.200 . 2 . . . A 114 LEU CD1 . 18093 1 1292 . 1 1 114 114 LEU CD2 C 13 24.961 0.180 . 2 . . . A 114 LEU CD2 . 18093 1 1293 . 1 1 114 114 LEU N N 15 118.921 0.098 . 1 . . . A 114 LEU N . 18093 1 1294 . 1 1 115 115 TRP H H 1 7.969 0.007 . 1 . . . A 115 TRP H . 18093 1 1295 . 1 1 115 115 TRP HA H 1 4.374 0.012 . 1 . . . A 115 TRP HA . 18093 1 1296 . 1 1 115 115 TRP HB2 H 1 3.279 0.007 . 2 . . . A 115 TRP HB2 . 18093 1 1297 . 1 1 115 115 TRP HB3 H 1 3.173 0.015 . 2 . . . A 115 TRP HB3 . 18093 1 1298 . 1 1 115 115 TRP HD1 H 1 7.218 0.020 . 1 . . . A 115 TRP HD1 . 18093 1 1299 . 1 1 115 115 TRP HE1 H 1 10.646 0.001 . 1 . . . A 115 TRP HE1 . 18093 1 1300 . 1 1 115 115 TRP HE3 H 1 7.420 0.007 . 1 . . . A 115 TRP HE3 . 18093 1 1301 . 1 1 115 115 TRP HZ2 H 1 7.423 0.014 . 1 . . . A 115 TRP HZ2 . 18093 1 1302 . 1 1 115 115 TRP HZ3 H 1 7.018 0.002 . 1 . . . A 115 TRP HZ3 . 18093 1 1303 . 1 1 115 115 TRP C C 13 178.572 0.200 . 1 . . . A 115 TRP C . 18093 1 1304 . 1 1 115 115 TRP CA C 13 60.922 0.073 . 1 . . . A 115 TRP CA . 18093 1 1305 . 1 1 115 115 TRP CB C 13 28.507 0.021 . 1 . . . A 115 TRP CB . 18093 1 1306 . 1 1 115 115 TRP CD1 C 13 125.525 0.110 . 1 . . . A 115 TRP CD1 . 18093 1 1307 . 1 1 115 115 TRP CE3 C 13 120.314 0.200 . 1 . . . A 115 TRP CE3 . 18093 1 1308 . 1 1 115 115 TRP CZ2 C 13 114.064 0.200 . 1 . . . A 115 TRP CZ2 . 18093 1 1309 . 1 1 115 115 TRP CZ3 C 13 121.803 0.200 . 1 . . . A 115 TRP CZ3 . 18093 1 1310 . 1 1 115 115 TRP N N 15 117.464 0.043 . 1 . . . A 115 TRP N . 18093 1 1311 . 1 1 115 115 TRP NE1 N 15 129.699 0.050 . 1 . . . A 115 TRP NE1 . 18093 1 1312 . 1 1 116 116 MET H H 1 8.465 0.009 . 1 . . . A 116 MET H . 18093 1 1313 . 1 1 116 116 MET HA H 1 4.065 0.014 . 1 . . . A 116 MET HA . 18093 1 1314 . 1 1 116 116 MET HB2 H 1 2.239 0.008 . 2 . . . A 116 MET HB2 . 18093 1 1315 . 1 1 116 116 MET HB3 H 1 2.082 0.022 . 2 . . . A 116 MET HB3 . 18093 1 1316 . 1 1 116 116 MET HG2 H 1 2.647 0.002 . 2 . . . A 116 MET HG2 . 18093 1 1317 . 1 1 116 116 MET HG3 H 1 2.430 0.010 . 2 . . . A 116 MET HG3 . 18093 1 1318 . 1 1 116 116 MET HE1 H 1 1.877 0.001 . 1 . . . A 116 MET HE1 . 18093 1 1319 . 1 1 116 116 MET HE2 H 1 1.877 0.001 . 1 . . . A 116 MET HE2 . 18093 1 1320 . 1 1 116 116 MET HE3 H 1 1.877 0.001 . 1 . . . A 116 MET HE3 . 18093 1 1321 . 1 1 116 116 MET C C 13 177.425 0.200 . 1 . . . A 116 MET C . 18093 1 1322 . 1 1 116 116 MET CA C 13 59.289 0.080 . 1 . . . A 116 MET CA . 18093 1 1323 . 1 1 116 116 MET CB C 13 31.692 0.010 . 1 . . . A 116 MET CB . 18093 1 1324 . 1 1 116 116 MET CG C 13 32.760 0.102 . 1 . . . A 116 MET CG . 18093 1 1325 . 1 1 116 116 MET CE C 13 17.073 0.047 . 1 . . . A 116 MET CE . 18093 1 1326 . 1 1 116 116 MET N N 15 117.069 0.091 . 1 . . . A 116 MET N . 18093 1 1327 . 1 1 117 117 PHE H H 1 8.418 0.010 . 1 . . . A 117 PHE H . 18093 1 1328 . 1 1 117 117 PHE HA H 1 4.099 0.010 . 1 . . . A 117 PHE HA . 18093 1 1329 . 1 1 117 117 PHE HB2 H 1 3.251 0.014 . 2 . . . A 117 PHE HB2 . 18093 1 1330 . 1 1 117 117 PHE HB3 H 1 3.041 0.015 . 2 . . . A 117 PHE HB3 . 18093 1 1331 . 1 1 117 117 PHE HD1 H 1 7.029 0.004 . 3 . . . A 117 PHE HD1 . 18093 1 1332 . 1 1 117 117 PHE C C 13 177.965 0.200 . 1 . . . A 117 PHE C . 18093 1 1333 . 1 1 117 117 PHE CA C 13 61.708 0.051 . 1 . . . A 117 PHE CA . 18093 1 1334 . 1 1 117 117 PHE CB C 13 39.185 0.064 . 1 . . . A 117 PHE CB . 18093 1 1335 . 1 1 117 117 PHE CD1 C 13 130.653 0.200 . 3 . . . A 117 PHE CD1 . 18093 1 1336 . 1 1 117 117 PHE N N 15 118.755 0.060 . 1 . . . A 117 PHE N . 18093 1 1337 . 1 1 118 118 ILE H H 1 8.266 0.014 . 1 . . . A 118 ILE H . 18093 1 1338 . 1 1 118 118 ILE HA H 1 3.344 0.020 . 1 . . . A 118 ILE HA . 18093 1 1339 . 1 1 118 118 ILE HB H 1 2.078 0.010 . 1 . . . A 118 ILE HB . 18093 1 1340 . 1 1 118 118 ILE HG12 H 1 1.805 0.012 . 2 . . . A 118 ILE HG12 . 18093 1 1341 . 1 1 118 118 ILE HG13 H 1 1.011 0.015 . 2 . . . A 118 ILE HG13 . 18093 1 1342 . 1 1 118 118 ILE HG21 H 1 0.838 0.011 . 1 . . . A 118 ILE HG21 . 18093 1 1343 . 1 1 118 118 ILE HG22 H 1 0.838 0.011 . 1 . . . A 118 ILE HG22 . 18093 1 1344 . 1 1 118 118 ILE HG23 H 1 0.838 0.011 . 1 . . . A 118 ILE HG23 . 18093 1 1345 . 1 1 118 118 ILE HD11 H 1 0.498 0.010 . 1 . . . A 118 ILE HD11 . 18093 1 1346 . 1 1 118 118 ILE HD12 H 1 0.498 0.010 . 1 . . . A 118 ILE HD12 . 18093 1 1347 . 1 1 118 118 ILE HD13 H 1 0.498 0.010 . 1 . . . A 118 ILE HD13 . 18093 1 1348 . 1 1 118 118 ILE C C 13 177.244 0.200 . 1 . . . A 118 ILE C . 18093 1 1349 . 1 1 118 118 ILE CA C 13 65.825 0.085 . 1 . . . A 118 ILE CA . 18093 1 1350 . 1 1 118 118 ILE CB C 13 37.548 0.108 . 1 . . . A 118 ILE CB . 18093 1 1351 . 1 1 118 118 ILE CG1 C 13 29.541 0.078 . 1 . . . A 118 ILE CG1 . 18093 1 1352 . 1 1 118 118 ILE CG2 C 13 17.434 0.112 . 1 . . . A 118 ILE CG2 . 18093 1 1353 . 1 1 118 118 ILE CD1 C 13 13.025 0.081 . 1 . . . A 118 ILE CD1 . 18093 1 1354 . 1 1 118 118 ILE N N 15 119.133 0.052 . 1 . . . A 118 ILE N . 18093 1 1355 . 1 1 119 119 ILE H H 1 8.308 0.011 . 1 . . . A 119 ILE H . 18093 1 1356 . 1 1 119 119 ILE HA H 1 3.572 0.015 . 1 . . . A 119 ILE HA . 18093 1 1357 . 1 1 119 119 ILE HB H 1 2.089 0.003 . 1 . . . A 119 ILE HB . 18093 1 1358 . 1 1 119 119 ILE HG12 H 1 1.636 0.004 . 2 . . . A 119 ILE HG12 . 18093 1 1359 . 1 1 119 119 ILE HG13 H 1 1.205 0.012 . 2 . . . A 119 ILE HG13 . 18093 1 1360 . 1 1 119 119 ILE HG21 H 1 0.847 0.007 . 1 . . . A 119 ILE HG21 . 18093 1 1361 . 1 1 119 119 ILE HG22 H 1 0.847 0.007 . 1 . . . A 119 ILE HG22 . 18093 1 1362 . 1 1 119 119 ILE HG23 H 1 0.847 0.007 . 1 . . . A 119 ILE HG23 . 18093 1 1363 . 1 1 119 119 ILE HD11 H 1 0.849 0.005 . 1 . . . A 119 ILE HD11 . 18093 1 1364 . 1 1 119 119 ILE HD12 H 1 0.849 0.005 . 1 . . . A 119 ILE HD12 . 18093 1 1365 . 1 1 119 119 ILE HD13 H 1 0.849 0.005 . 1 . . . A 119 ILE HD13 . 18093 1 1366 . 1 1 119 119 ILE C C 13 177.523 0.200 . 1 . . . A 119 ILE C . 18093 1 1367 . 1 1 119 119 ILE CA C 13 65.889 0.087 . 1 . . . A 119 ILE CA . 18093 1 1368 . 1 1 119 119 ILE CB C 13 37.564 0.036 . 1 . . . A 119 ILE CB . 18093 1 1369 . 1 1 119 119 ILE CG1 C 13 28.879 0.019 . 1 . . . A 119 ILE CG1 . 18093 1 1370 . 1 1 119 119 ILE CG2 C 13 17.402 0.143 . 1 . . . A 119 ILE CG2 . 18093 1 1371 . 1 1 119 119 ILE CD1 C 13 13.149 0.161 . 1 . . . A 119 ILE CD1 . 18093 1 1372 . 1 1 119 119 ILE N N 15 118.846 0.062 . 1 . . . A 119 ILE N . 18093 1 1373 . 1 1 120 120 VAL H H 1 8.399 0.010 . 1 . . . A 120 VAL H . 18093 1 1374 . 1 1 120 120 VAL HA H 1 3.508 0.022 . 1 . . . A 120 VAL HA . 18093 1 1375 . 1 1 120 120 VAL HB H 1 2.142 0.019 . 1 . . . A 120 VAL HB . 18093 1 1376 . 1 1 120 120 VAL HG11 H 1 1.000 0.003 . 1 . . . A 120 VAL HG11 . 18093 1 1377 . 1 1 120 120 VAL HG12 H 1 1.000 0.003 . 1 . . . A 120 VAL HG12 . 18093 1 1378 . 1 1 120 120 VAL HG13 H 1 1.000 0.003 . 1 . . . A 120 VAL HG13 . 18093 1 1379 . 1 1 120 120 VAL HG21 H 1 0.834 0.006 . 1 . . . A 120 VAL HG21 . 18093 1 1380 . 1 1 120 120 VAL HG22 H 1 0.834 0.006 . 1 . . . A 120 VAL HG22 . 18093 1 1381 . 1 1 120 120 VAL HG23 H 1 0.834 0.006 . 1 . . . A 120 VAL HG23 . 18093 1 1382 . 1 1 120 120 VAL C C 13 177.651 0.200 . 1 . . . A 120 VAL C . 18093 1 1383 . 1 1 120 120 VAL CA C 13 67.601 0.089 . 1 . . . A 120 VAL CA . 18093 1 1384 . 1 1 120 120 VAL CB C 13 31.406 0.200 . 1 . . . A 120 VAL CB . 18093 1 1385 . 1 1 120 120 VAL CG1 C 13 23.351 0.029 . 2 . . . A 120 VAL CG1 . 18093 1 1386 . 1 1 120 120 VAL CG2 C 13 21.497 0.293 . 2 . . . A 120 VAL CG2 . 18093 1 1387 . 1 1 120 120 VAL N N 15 119.228 0.083 . 1 . . . A 120 VAL N . 18093 1 1388 . 1 1 121 121 CYS H H 1 8.008 0.011 . 1 . . . A 121 CYS H . 18093 1 1389 . 1 1 121 121 CYS HA H 1 3.903 0.019 . 1 . . . A 121 CYS HA . 18093 1 1390 . 1 1 121 121 CYS HB2 H 1 2.853 0.007 . 2 . . . A 121 CYS HB2 . 18093 1 1391 . 1 1 121 121 CYS HB3 H 1 2.306 0.007 . 2 . . . A 121 CYS HB3 . 18093 1 1392 . 1 1 121 121 CYS C C 13 177.719 0.200 . 1 . . . A 121 CYS C . 18093 1 1393 . 1 1 121 121 CYS CA C 13 64.298 0.120 . 1 . . . A 121 CYS CA . 18093 1 1394 . 1 1 121 121 CYS CB C 13 26.677 0.011 . 1 . . . A 121 CYS CB . 18093 1 1395 . 1 1 121 121 CYS N N 15 117.151 0.081 . 1 . . . A 121 CYS N . 18093 1 1396 . 1 1 122 122 LEU H H 1 8.417 0.009 . 1 . . . A 122 LEU H . 18093 1 1397 . 1 1 122 122 LEU HA H 1 3.983 0.008 . 1 . . . A 122 LEU HA . 18093 1 1398 . 1 1 122 122 LEU HB2 H 1 1.856 0.015 . 2 . . . A 122 LEU HB2 . 18093 1 1399 . 1 1 122 122 LEU HB3 H 1 1.781 0.007 . 2 . . . A 122 LEU HB3 . 18093 1 1400 . 1 1 122 122 LEU HG H 1 1.800 0.015 . 1 . . . A 122 LEU HG . 18093 1 1401 . 1 1 122 122 LEU HD11 H 1 0.823 0.010 . 1 . . . A 122 LEU HD11 . 18093 1 1402 . 1 1 122 122 LEU HD12 H 1 0.823 0.010 . 1 . . . A 122 LEU HD12 . 18093 1 1403 . 1 1 122 122 LEU HD13 H 1 0.823 0.010 . 1 . . . A 122 LEU HD13 . 18093 1 1404 . 1 1 122 122 LEU HD21 H 1 0.798 0.015 . 1 . . . A 122 LEU HD21 . 18093 1 1405 . 1 1 122 122 LEU HD22 H 1 0.798 0.015 . 1 . . . A 122 LEU HD22 . 18093 1 1406 . 1 1 122 122 LEU HD23 H 1 0.798 0.015 . 1 . . . A 122 LEU HD23 . 18093 1 1407 . 1 1 122 122 LEU C C 13 178.282 0.200 . 1 . . . A 122 LEU C . 18093 1 1408 . 1 1 122 122 LEU CA C 13 58.545 0.085 . 1 . . . A 122 LEU CA . 18093 1 1409 . 1 1 122 122 LEU CB C 13 41.966 0.031 . 1 . . . A 122 LEU CB . 18093 1 1410 . 1 1 122 122 LEU CG C 13 27.003 0.200 . 1 . . . A 122 LEU CG . 18093 1 1411 . 1 1 122 122 LEU CD1 C 13 24.940 0.144 . 2 . . . A 122 LEU CD1 . 18093 1 1412 . 1 1 122 122 LEU CD2 C 13 24.006 0.200 . 2 . . . A 122 LEU CD2 . 18093 1 1413 . 1 1 122 122 LEU N N 15 121.402 0.084 . 1 . . . A 122 LEU N . 18093 1 1414 . 1 1 123 123 LEU H H 1 8.590 0.008 . 1 . . . A 123 LEU H . 18093 1 1415 . 1 1 123 123 LEU HA H 1 3.920 0.013 . 1 . . . A 123 LEU HA . 18093 1 1416 . 1 1 123 123 LEU HB2 H 1 1.856 0.007 . 2 . . . A 123 LEU HB2 . 18093 1 1417 . 1 1 123 123 LEU HG H 1 1.860 0.002 . 1 . . . A 123 LEU HG . 18093 1 1418 . 1 1 123 123 LEU HD11 H 1 0.751 0.016 . 1 . . . A 123 LEU HD11 . 18093 1 1419 . 1 1 123 123 LEU HD12 H 1 0.751 0.016 . 1 . . . A 123 LEU HD12 . 18093 1 1420 . 1 1 123 123 LEU HD13 H 1 0.751 0.016 . 1 . . . A 123 LEU HD13 . 18093 1 1421 . 1 1 123 123 LEU HD21 H 1 0.770 0.005 . 1 . . . A 123 LEU HD21 . 18093 1 1422 . 1 1 123 123 LEU HD22 H 1 0.770 0.005 . 1 . . . A 123 LEU HD22 . 18093 1 1423 . 1 1 123 123 LEU HD23 H 1 0.770 0.005 . 1 . . . A 123 LEU HD23 . 18093 1 1424 . 1 1 123 123 LEU C C 13 179.028 0.200 . 1 . . . A 123 LEU C . 18093 1 1425 . 1 1 123 123 LEU CA C 13 58.117 0.019 . 1 . . . A 123 LEU CA . 18093 1 1426 . 1 1 123 123 LEU CB C 13 42.056 0.036 . 1 . . . A 123 LEU CB . 18093 1 1427 . 1 1 123 123 LEU CG C 13 26.941 0.106 . 1 . . . A 123 LEU CG . 18093 1 1428 . 1 1 123 123 LEU CD1 C 13 22.889 0.034 . 2 . . . A 123 LEU CD1 . 18093 1 1429 . 1 1 123 123 LEU CD2 C 13 25.171 0.116 . 2 . . . A 123 LEU CD2 . 18093 1 1430 . 1 1 123 123 LEU N N 15 118.543 0.072 . 1 . . . A 123 LEU N . 18093 1 1431 . 1 1 124 124 GLY H H 1 8.601 0.010 . 1 . . . A 124 GLY H . 18093 1 1432 . 1 1 124 124 GLY HA2 H 1 3.653 0.008 . 2 . . . A 124 GLY HA2 . 18093 1 1433 . 1 1 124 124 GLY HA3 H 1 3.473 0.028 . 2 . . . A 124 GLY HA3 . 18093 1 1434 . 1 1 124 124 GLY C C 13 173.932 0.200 . 1 . . . A 124 GLY C . 18093 1 1435 . 1 1 124 124 GLY CA C 13 47.227 0.061 . 1 . . . A 124 GLY CA . 18093 1 1436 . 1 1 124 124 GLY N N 15 104.896 0.061 . 1 . . . A 124 GLY N . 18093 1 1437 . 1 1 125 125 THR H H 1 7.734 0.008 . 1 . . . A 125 THR H . 18093 1 1438 . 1 1 125 125 THR HA H 1 3.686 0.009 . 1 . . . A 125 THR HA . 18093 1 1439 . 1 1 125 125 THR HB H 1 4.223 0.018 . 1 . . . A 125 THR HB . 18093 1 1440 . 1 1 125 125 THR HG21 H 1 1.209 0.011 . 1 . . . A 125 THR HG21 . 18093 1 1441 . 1 1 125 125 THR HG22 H 1 1.209 0.011 . 1 . . . A 125 THR HG22 . 18093 1 1442 . 1 1 125 125 THR HG23 H 1 1.209 0.011 . 1 . . . A 125 THR HG23 . 18093 1 1443 . 1 1 125 125 THR C C 13 176.407 0.200 . 1 . . . A 125 THR C . 18093 1 1444 . 1 1 125 125 THR CA C 13 67.565 0.074 . 1 . . . A 125 THR CA . 18093 1 1445 . 1 1 125 125 THR CB C 13 68.143 0.023 . 1 . . . A 125 THR CB . 18093 1 1446 . 1 1 125 125 THR CG2 C 13 21.998 0.086 . 1 . . . A 125 THR CG2 . 18093 1 1447 . 1 1 125 125 THR N N 15 115.403 0.086 . 1 . . . A 125 THR N . 18093 1 1448 . 1 1 126 126 VAL H H 1 8.015 0.013 . 1 . . . A 126 VAL H . 18093 1 1449 . 1 1 126 126 VAL HA H 1 3.539 0.008 . 1 . . . A 126 VAL HA . 18093 1 1450 . 1 1 126 126 VAL HB H 1 2.163 0.005 . 1 . . . A 126 VAL HB . 18093 1 1451 . 1 1 126 126 VAL HG11 H 1 1.011 0.006 . 1 . . . A 126 VAL HG11 . 18093 1 1452 . 1 1 126 126 VAL HG12 H 1 1.011 0.006 . 1 . . . A 126 VAL HG12 . 18093 1 1453 . 1 1 126 126 VAL HG13 H 1 1.011 0.006 . 1 . . . A 126 VAL HG13 . 18093 1 1454 . 1 1 126 126 VAL HG21 H 1 0.886 0.005 . 1 . . . A 126 VAL HG21 . 18093 1 1455 . 1 1 126 126 VAL HG22 H 1 0.886 0.005 . 1 . . . A 126 VAL HG22 . 18093 1 1456 . 1 1 126 126 VAL HG23 H 1 0.886 0.005 . 1 . . . A 126 VAL HG23 . 18093 1 1457 . 1 1 126 126 VAL C C 13 177.628 0.200 . 1 . . . A 126 VAL C . 18093 1 1458 . 1 1 126 126 VAL CA C 13 66.601 0.060 . 1 . . . A 126 VAL CA . 18093 1 1459 . 1 1 126 126 VAL CB C 13 31.494 0.200 . 1 . . . A 126 VAL CB . 18093 1 1460 . 1 1 126 126 VAL CG1 C 13 22.840 0.056 . 2 . . . A 126 VAL CG1 . 18093 1 1461 . 1 1 126 126 VAL CG2 C 13 21.423 0.015 . 2 . . . A 126 VAL CG2 . 18093 1 1462 . 1 1 126 126 VAL N N 15 119.056 0.053 . 1 . . . A 126 VAL N . 18093 1 1463 . 1 1 127 127 GLY H H 1 8.248 0.007 . 1 . . . A 127 GLY H . 18093 1 1464 . 1 1 127 127 GLY HA2 H 1 3.631 0.016 . 2 . . . A 127 GLY HA2 . 18093 1 1465 . 1 1 127 127 GLY C C 13 173.933 0.200 . 1 . . . A 127 GLY C . 18093 1 1466 . 1 1 127 127 GLY CA C 13 47.281 0.200 . 1 . . . A 127 GLY CA . 18093 1 1467 . 1 1 127 127 GLY N N 15 104.644 0.113 . 1 . . . A 127 GLY N . 18093 1 1468 . 1 1 128 128 LEU H H 1 7.568 0.007 . 1 . . . A 128 LEU H . 18093 1 1469 . 1 1 128 128 LEU HA H 1 4.012 0.009 . 1 . . . A 128 LEU HA . 18093 1 1470 . 1 1 128 128 LEU HB2 H 1 1.639 0.014 . 2 . . . A 128 LEU HB2 . 18093 1 1471 . 1 1 128 128 LEU HB3 H 1 1.018 0.010 . 2 . . . A 128 LEU HB3 . 18093 1 1472 . 1 1 128 128 LEU HG H 1 1.686 0.017 . 1 . . . A 128 LEU HG . 18093 1 1473 . 1 1 128 128 LEU HD11 H 1 0.708 0.008 . 1 . . . A 128 LEU HD11 . 18093 1 1474 . 1 1 128 128 LEU HD12 H 1 0.708 0.008 . 1 . . . A 128 LEU HD12 . 18093 1 1475 . 1 1 128 128 LEU HD13 H 1 0.708 0.008 . 1 . . . A 128 LEU HD13 . 18093 1 1476 . 1 1 128 128 LEU HD21 H 1 0.775 0.015 . 1 . . . A 128 LEU HD21 . 18093 1 1477 . 1 1 128 128 LEU HD22 H 1 0.775 0.015 . 1 . . . A 128 LEU HD22 . 18093 1 1478 . 1 1 128 128 LEU HD23 H 1 0.775 0.015 . 1 . . . A 128 LEU HD23 . 18093 1 1479 . 1 1 128 128 LEU C C 13 177.443 0.200 . 1 . . . A 128 LEU C . 18093 1 1480 . 1 1 128 128 LEU CA C 13 56.626 0.012 . 1 . . . A 128 LEU CA . 18093 1 1481 . 1 1 128 128 LEU CB C 13 42.260 0.100 . 1 . . . A 128 LEU CB . 18093 1 1482 . 1 1 128 128 LEU CG C 13 26.834 0.079 . 1 . . . A 128 LEU CG . 18093 1 1483 . 1 1 128 128 LEU CD1 C 13 23.888 0.078 . 2 . . . A 128 LEU CD1 . 18093 1 1484 . 1 1 128 128 LEU CD2 C 13 25.489 0.200 . 2 . . . A 128 LEU CD2 . 18093 1 1485 . 1 1 128 128 LEU N N 15 117.354 0.033 . 1 . . . A 128 LEU N . 18093 1 1486 . 1 1 129 129 PHE H H 1 7.639 0.007 . 1 . . . A 129 PHE H . 18093 1 1487 . 1 1 129 129 PHE HA H 1 4.458 0.025 . 1 . . . A 129 PHE HA . 18093 1 1488 . 1 1 129 129 PHE HB2 H 1 3.221 0.006 . 2 . . . A 129 PHE HB2 . 18093 1 1489 . 1 1 129 129 PHE HB3 H 1 2.823 0.001 . 2 . . . A 129 PHE HB3 . 18093 1 1490 . 1 1 129 129 PHE HD2 H 1 7.294 0.003 . 3 . . . A 129 PHE HD2 . 18093 1 1491 . 1 1 129 129 PHE HE2 H 1 7.138 0.015 . 3 . . . A 129 PHE HE2 . 18093 1 1492 . 1 1 129 129 PHE C C 13 176.216 0.200 . 1 . . . A 129 PHE C . 18093 1 1493 . 1 1 129 129 PHE CA C 13 58.385 0.075 . 1 . . . A 129 PHE CA . 18093 1 1494 . 1 1 129 129 PHE CB C 13 39.719 0.037 . 1 . . . A 129 PHE CB . 18093 1 1495 . 1 1 129 129 PHE CD2 C 13 131.802 0.013 . 3 . . . A 129 PHE CD2 . 18093 1 1496 . 1 1 129 129 PHE CE2 C 13 130.672 0.200 . 3 . . . A 129 PHE CE2 . 18093 1 1497 . 1 1 129 129 PHE N N 15 113.971 0.044 . 1 . . . A 129 PHE N . 18093 1 1498 . 1 1 130 130 LEU H H 1 8.099 0.005 . 1 . . . A 130 LEU H . 18093 1 1499 . 1 1 130 130 LEU HA H 1 4.433 0.015 . 1 . . . A 130 LEU HA . 18093 1 1500 . 1 1 130 130 LEU CA C 13 54.156 0.063 . 1 . . . A 130 LEU CA . 18093 1 1501 . 1 1 130 130 LEU N N 15 117.752 0.037 . 1 . . . A 130 LEU N . 18093 1 1502 . 1 1 131 131 PRO HA H 1 4.450 0.015 . 1 . . . A 131 PRO HA . 18093 1 1503 . 1 1 131 131 PRO CA C 13 63.899 0.200 . 1 . . . A 131 PRO CA . 18093 1 1504 . 1 1 132 132 PRO HA H 1 4.262 0.006 . 1 . . . A 132 PRO HA . 18093 1 1505 . 1 1 132 132 PRO HB2 H 1 2.234 0.010 . 2 . . . A 132 PRO HB2 . 18093 1 1506 . 1 1 132 132 PRO HB3 H 1 1.936 0.017 . 2 . . . A 132 PRO HB3 . 18093 1 1507 . 1 1 132 132 PRO HG2 H 1 1.993 0.009 . 2 . . . A 132 PRO HG2 . 18093 1 1508 . 1 1 132 132 PRO HG3 H 1 1.924 0.002 . 2 . . . A 132 PRO HG3 . 18093 1 1509 . 1 1 132 132 PRO HD2 H 1 3.755 0.007 . 2 . . . A 132 PRO HD2 . 18093 1 1510 . 1 1 132 132 PRO HD3 H 1 3.557 0.016 . 2 . . . A 132 PRO HD3 . 18093 1 1511 . 1 1 132 132 PRO C C 13 177.616 0.200 . 1 . . . A 132 PRO C . 18093 1 1512 . 1 1 132 132 PRO CA C 13 64.980 0.090 . 1 . . . A 132 PRO CA . 18093 1 1513 . 1 1 132 132 PRO CB C 13 31.625 0.068 . 1 . . . A 132 PRO CB . 18093 1 1514 . 1 1 132 132 PRO CG C 13 27.622 0.187 . 1 . . . A 132 PRO CG . 18093 1 1515 . 1 1 132 132 PRO CD C 13 50.449 0.153 . 1 . . . A 132 PRO CD . 18093 1 1516 . 1 1 133 133 TRP H H 1 7.311 0.007 . 1 . . . A 133 TRP H . 18093 1 1517 . 1 1 133 133 TRP HA H 1 4.592 0.003 . 1 . . . A 133 TRP HA . 18093 1 1518 . 1 1 133 133 TRP HB2 H 1 3.386 0.012 . 2 . . . A 133 TRP HB2 . 18093 1 1519 . 1 1 133 133 TRP HB3 H 1 3.283 0.009 . 2 . . . A 133 TRP HB3 . 18093 1 1520 . 1 1 133 133 TRP HD1 H 1 7.412 0.006 . 1 . . . A 133 TRP HD1 . 18093 1 1521 . 1 1 133 133 TRP HE1 H 1 10.543 0.004 . 1 . . . A 133 TRP HE1 . 18093 1 1522 . 1 1 133 133 TRP HZ2 H 1 7.390 0.004 . 1 . . . A 133 TRP HZ2 . 18093 1 1523 . 1 1 133 133 TRP C C 13 176.842 0.200 . 1 . . . A 133 TRP C . 18093 1 1524 . 1 1 133 133 TRP CA C 13 57.283 0.030 . 1 . . . A 133 TRP CA . 18093 1 1525 . 1 1 133 133 TRP CB C 13 28.596 0.017 . 1 . . . A 133 TRP CB . 18093 1 1526 . 1 1 133 133 TRP CD1 C 13 126.537 0.009 . 1 . . . A 133 TRP CD1 . 18093 1 1527 . 1 1 133 133 TRP CZ2 C 13 113.982 0.066 . 1 . . . A 133 TRP CZ2 . 18093 1 1528 . 1 1 133 133 TRP N N 15 115.508 0.034 . 1 . . . A 133 TRP N . 18093 1 1529 . 1 1 133 133 TRP NE1 N 15 131.295 2.186 . 1 . . . A 133 TRP NE1 . 18093 1 1530 . 1 1 134 134 LEU H H 1 7.453 0.027 . 1 . . . A 134 LEU H . 18093 1 1531 . 1 1 134 134 LEU HA H 1 4.177 0.003 . 1 . . . A 134 LEU HA . 18093 1 1532 . 1 1 134 134 LEU HB3 H 1 1.409 0.008 . 2 . . . A 134 LEU HB3 . 18093 1 1533 . 1 1 134 134 LEU HD11 H 1 0.769 0.014 . 1 . . . A 134 LEU HD11 . 18093 1 1534 . 1 1 134 134 LEU HD12 H 1 0.769 0.014 . 1 . . . A 134 LEU HD12 . 18093 1 1535 . 1 1 134 134 LEU HD13 H 1 0.769 0.014 . 1 . . . A 134 LEU HD13 . 18093 1 1536 . 1 1 134 134 LEU C C 13 175.768 0.200 . 1 . . . A 134 LEU C . 18093 1 1537 . 1 1 134 134 LEU CA C 13 55.621 0.015 . 1 . . . A 134 LEU CA . 18093 1 1538 . 1 1 134 134 LEU CB C 13 42.648 0.177 . 1 . . . A 134 LEU CB . 18093 1 1539 . 1 1 134 134 LEU CD1 C 13 24.507 0.200 . 2 . . . A 134 LEU CD1 . 18093 1 1540 . 1 1 134 134 LEU N N 15 119.570 0.126 . 1 . . . A 134 LEU N . 18093 1 1541 . 1 1 135 135 ALA H H 1 7.541 0.005 . 1 . . . A 135 ALA H . 18093 1 1542 . 1 1 135 135 ALA HA H 1 4.223 0.006 . 1 . . . A 135 ALA HA . 18093 1 1543 . 1 1 135 135 ALA HB1 H 1 1.323 0.006 . 1 . . . A 135 ALA HB1 . 18093 1 1544 . 1 1 135 135 ALA HB2 H 1 1.323 0.006 . 1 . . . A 135 ALA HB2 . 18093 1 1545 . 1 1 135 135 ALA HB3 H 1 1.323 0.006 . 1 . . . A 135 ALA HB3 . 18093 1 1546 . 1 1 135 135 ALA C C 13 177.170 0.200 . 1 . . . A 135 ALA C . 18093 1 1547 . 1 1 135 135 ALA CA C 13 52.456 0.012 . 1 . . . A 135 ALA CA . 18093 1 1548 . 1 1 135 135 ALA CB C 13 19.736 0.046 . 1 . . . A 135 ALA CB . 18093 1 1549 . 1 1 135 135 ALA N N 15 119.004 0.052 . 1 . . . A 135 ALA N . 18093 1 1550 . 1 1 136 136 GLY H H 1 7.846 0.005 . 1 . . . A 136 GLY H . 18093 1 1551 . 1 1 136 136 GLY HA2 H 1 3.899 0.018 . 2 . . . A 136 GLY HA2 . 18093 1 1552 . 1 1 136 136 GLY C C 13 173.042 0.200 . 1 . . . A 136 GLY C . 18093 1 1553 . 1 1 136 136 GLY CA C 13 45.693 0.029 . 1 . . . A 136 GLY CA . 18093 1 1554 . 1 1 136 136 GLY N N 15 105.879 0.019 . 1 . . . A 136 GLY N . 18093 1 1555 . 1 1 137 137 GLU H H 1 7.668 0.005 . 1 . . . A 137 GLU H . 18093 1 1556 . 1 1 137 137 GLU HA H 1 4.128 0.005 . 1 . . . A 137 GLU HA . 18093 1 1557 . 1 1 137 137 GLU HB2 H 1 2.060 0.010 . 2 . . . A 137 GLU HB2 . 18093 1 1558 . 1 1 137 137 GLU HB3 H 1 1.841 0.004 . 2 . . . A 137 GLU HB3 . 18093 1 1559 . 1 1 137 137 GLU HG2 H 1 2.185 0.008 . 2 . . . A 137 GLU HG2 . 18093 1 1560 . 1 1 137 137 GLU CA C 13 57.495 0.006 . 1 . . . A 137 GLU CA . 18093 1 1561 . 1 1 137 137 GLU CB C 13 30.929 0.021 . 1 . . . A 137 GLU CB . 18093 1 1562 . 1 1 137 137 GLU CG C 13 35.787 0.097 . 1 . . . A 137 GLU CG . 18093 1 1563 . 1 1 137 137 GLU N N 15 123.918 0.029 . 1 . . . A 137 GLU N . 18093 1 stop_ save_