data_18096 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18096 _Entry.Title ; NMR structures of the transmembrane domains of the AChR b2 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 . . . 18096 2 David Mowrey . . . 18096 3 Tommy Tillman . . . 18096 4 Tanxing Cui . . . 18096 5 Lu Liu . T. . 18096 6 Yan Xu . . . 18096 7 Pei Tang . . . 18096 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' . 18096 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Acetylcholine receptor' . 18096 NMR . 18096 'Protein structure' . 18096 'Transmembrane domain' . 18096 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18096 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 552 18096 '15N chemical shifts' 127 18096 '1H chemical shifts' 820 18096 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' 18096 1 . . 2013-03-02 2011-11-18 original author 'original release' 18096 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LM2 'BMRB Entry Tracking System' 18096 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18096 _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 . . . 18096 1 2 David Mowrey . . . 18096 1 3 Tommy Tillman . . . 18096 1 4 Tanxing Cui . . . 18096 1 5 'Lu Tian' Liu . . . 18096 1 6 Yan Xu . . . 18096 1 7 Pei Tang . . . 18096 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18096 _Assembly.ID 1 _Assembly.Name 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 nAChR 1 $nAChR A . yes native no no . . . 18096 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_nAChR _Entity.Sf_category entity _Entity.Sf_framecode nAChR _Entity.Entry_ID 18096 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; SNAEEEPLFYTINLIIPCVL ITSLAILVFYLPSDCGEKMT LCISVLLALTVFLLLISKIV PPTSSDSPSVGEYLMFTMVL VTFSIVTSVCVLNVHHRSPE THTGGGGGIDRLFLWIFVFV CVFGTIGMFLQPLFQEE ; _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 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14998.831 _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 2LM2 . "Nmr Structures Of The Transmembrane Domains Of The Achr B2 Subunit" . . . . . 100.00 137 100.00 100.00 6.11e-91 . . . . 18096 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 . 18096 1 2 . ASN . 18096 1 3 . ALA . 18096 1 4 . GLU . 18096 1 5 . GLU . 18096 1 6 . GLU . 18096 1 7 . PRO . 18096 1 8 . LEU . 18096 1 9 . PHE . 18096 1 10 . TYR . 18096 1 11 . THR . 18096 1 12 . ILE . 18096 1 13 . ASN . 18096 1 14 . LEU . 18096 1 15 . ILE . 18096 1 16 . ILE . 18096 1 17 . PRO . 18096 1 18 . CYS . 18096 1 19 . VAL . 18096 1 20 . LEU . 18096 1 21 . ILE . 18096 1 22 . THR . 18096 1 23 . SER . 18096 1 24 . LEU . 18096 1 25 . ALA . 18096 1 26 . ILE . 18096 1 27 . LEU . 18096 1 28 . VAL . 18096 1 29 . PHE . 18096 1 30 . TYR . 18096 1 31 . LEU . 18096 1 32 . PRO . 18096 1 33 . SER . 18096 1 34 . ASP . 18096 1 35 . CYS . 18096 1 36 . GLY . 18096 1 37 . GLU . 18096 1 38 . LYS . 18096 1 39 . MET . 18096 1 40 . THR . 18096 1 41 . LEU . 18096 1 42 . CYS . 18096 1 43 . ILE . 18096 1 44 . SER . 18096 1 45 . VAL . 18096 1 46 . LEU . 18096 1 47 . LEU . 18096 1 48 . ALA . 18096 1 49 . LEU . 18096 1 50 . THR . 18096 1 51 . VAL . 18096 1 52 . PHE . 18096 1 53 . LEU . 18096 1 54 . LEU . 18096 1 55 . LEU . 18096 1 56 . ILE . 18096 1 57 . SER . 18096 1 58 . LYS . 18096 1 59 . ILE . 18096 1 60 . VAL . 18096 1 61 . PRO . 18096 1 62 . PRO . 18096 1 63 . THR . 18096 1 64 . SER . 18096 1 65 . SER . 18096 1 66 . ASP . 18096 1 67 . SER . 18096 1 68 . PRO . 18096 1 69 . SER . 18096 1 70 . VAL . 18096 1 71 . GLY . 18096 1 72 . GLU . 18096 1 73 . TYR . 18096 1 74 . LEU . 18096 1 75 . MET . 18096 1 76 . PHE . 18096 1 77 . THR . 18096 1 78 . MET . 18096 1 79 . VAL . 18096 1 80 . LEU . 18096 1 81 . VAL . 18096 1 82 . THR . 18096 1 83 . PHE . 18096 1 84 . SER . 18096 1 85 . ILE . 18096 1 86 . VAL . 18096 1 87 . THR . 18096 1 88 . SER . 18096 1 89 . VAL . 18096 1 90 . CYS . 18096 1 91 . VAL . 18096 1 92 . LEU . 18096 1 93 . ASN . 18096 1 94 . VAL . 18096 1 95 . HIS . 18096 1 96 . HIS . 18096 1 97 . ARG . 18096 1 98 . SER . 18096 1 99 . PRO . 18096 1 100 . GLU . 18096 1 101 . THR . 18096 1 102 . HIS . 18096 1 103 . THR . 18096 1 104 . GLY . 18096 1 105 . GLY . 18096 1 106 . GLY . 18096 1 107 . GLY . 18096 1 108 . GLY . 18096 1 109 . ILE . 18096 1 110 . ASP . 18096 1 111 . ARG . 18096 1 112 . LEU . 18096 1 113 . PHE . 18096 1 114 . LEU . 18096 1 115 . TRP . 18096 1 116 . ILE . 18096 1 117 . PHE . 18096 1 118 . VAL . 18096 1 119 . PHE . 18096 1 120 . VAL . 18096 1 121 . CYS . 18096 1 122 . VAL . 18096 1 123 . PHE . 18096 1 124 . GLY . 18096 1 125 . THR . 18096 1 126 . ILE . 18096 1 127 . GLY . 18096 1 128 . MET . 18096 1 129 . PHE . 18096 1 130 . LEU . 18096 1 131 . GLN . 18096 1 132 . PRO . 18096 1 133 . LEU . 18096 1 134 . PHE . 18096 1 135 . GLN . 18096 1 136 . GLU . 18096 1 137 . GLU . 18096 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 18096 1 . ASN 2 2 18096 1 . ALA 3 3 18096 1 . GLU 4 4 18096 1 . GLU 5 5 18096 1 . GLU 6 6 18096 1 . PRO 7 7 18096 1 . LEU 8 8 18096 1 . PHE 9 9 18096 1 . TYR 10 10 18096 1 . THR 11 11 18096 1 . ILE 12 12 18096 1 . ASN 13 13 18096 1 . LEU 14 14 18096 1 . ILE 15 15 18096 1 . ILE 16 16 18096 1 . PRO 17 17 18096 1 . CYS 18 18 18096 1 . VAL 19 19 18096 1 . LEU 20 20 18096 1 . ILE 21 21 18096 1 . THR 22 22 18096 1 . SER 23 23 18096 1 . LEU 24 24 18096 1 . ALA 25 25 18096 1 . ILE 26 26 18096 1 . LEU 27 27 18096 1 . VAL 28 28 18096 1 . PHE 29 29 18096 1 . TYR 30 30 18096 1 . LEU 31 31 18096 1 . PRO 32 32 18096 1 . SER 33 33 18096 1 . ASP 34 34 18096 1 . CYS 35 35 18096 1 . GLY 36 36 18096 1 . GLU 37 37 18096 1 . LYS 38 38 18096 1 . MET 39 39 18096 1 . THR 40 40 18096 1 . LEU 41 41 18096 1 . CYS 42 42 18096 1 . ILE 43 43 18096 1 . SER 44 44 18096 1 . VAL 45 45 18096 1 . LEU 46 46 18096 1 . LEU 47 47 18096 1 . ALA 48 48 18096 1 . LEU 49 49 18096 1 . THR 50 50 18096 1 . VAL 51 51 18096 1 . PHE 52 52 18096 1 . LEU 53 53 18096 1 . LEU 54 54 18096 1 . LEU 55 55 18096 1 . ILE 56 56 18096 1 . SER 57 57 18096 1 . LYS 58 58 18096 1 . ILE 59 59 18096 1 . VAL 60 60 18096 1 . PRO 61 61 18096 1 . PRO 62 62 18096 1 . THR 63 63 18096 1 . SER 64 64 18096 1 . SER 65 65 18096 1 . ASP 66 66 18096 1 . SER 67 67 18096 1 . PRO 68 68 18096 1 . SER 69 69 18096 1 . VAL 70 70 18096 1 . GLY 71 71 18096 1 . GLU 72 72 18096 1 . TYR 73 73 18096 1 . LEU 74 74 18096 1 . MET 75 75 18096 1 . PHE 76 76 18096 1 . THR 77 77 18096 1 . MET 78 78 18096 1 . VAL 79 79 18096 1 . LEU 80 80 18096 1 . VAL 81 81 18096 1 . THR 82 82 18096 1 . PHE 83 83 18096 1 . SER 84 84 18096 1 . ILE 85 85 18096 1 . VAL 86 86 18096 1 . THR 87 87 18096 1 . SER 88 88 18096 1 . VAL 89 89 18096 1 . CYS 90 90 18096 1 . VAL 91 91 18096 1 . LEU 92 92 18096 1 . ASN 93 93 18096 1 . VAL 94 94 18096 1 . HIS 95 95 18096 1 . HIS 96 96 18096 1 . ARG 97 97 18096 1 . SER 98 98 18096 1 . PRO 99 99 18096 1 . GLU 100 100 18096 1 . THR 101 101 18096 1 . HIS 102 102 18096 1 . THR 103 103 18096 1 . GLY 104 104 18096 1 . GLY 105 105 18096 1 . GLY 106 106 18096 1 . GLY 107 107 18096 1 . GLY 108 108 18096 1 . ILE 109 109 18096 1 . ASP 110 110 18096 1 . ARG 111 111 18096 1 . LEU 112 112 18096 1 . PHE 113 113 18096 1 . LEU 114 114 18096 1 . TRP 115 115 18096 1 . ILE 116 116 18096 1 . PHE 117 117 18096 1 . VAL 118 118 18096 1 . PHE 119 119 18096 1 . VAL 120 120 18096 1 . CYS 121 121 18096 1 . VAL 122 122 18096 1 . PHE 123 123 18096 1 . GLY 124 124 18096 1 . THR 125 125 18096 1 . ILE 126 126 18096 1 . GLY 127 127 18096 1 . MET 128 128 18096 1 . PHE 129 129 18096 1 . LEU 130 130 18096 1 . GLN 131 131 18096 1 . PRO 132 132 18096 1 . LEU 133 133 18096 1 . PHE 134 134 18096 1 . GLN 135 135 18096 1 . GLU 136 136 18096 1 . GLU 137 137 18096 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 18096 _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 $nAChR . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18096 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 18096 _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 $nAChR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pTBSG1 . . . . . . 18096 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18096 _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 nAChR '[U-100% 13C; U-100% 15N]' . . 1 $nAChR . . 0.25 . . mM . . . . 18096 1 2 'sodium acetate' 'natural abundance' . . . . . . 5 . . mM . . . . 18096 1 3 LDAO 'natural abundance' . . . . . . 1.5 . . % . . . . 18096 1 4 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 18096 1 5 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 18096 1 6 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 18096 1 7 beta-mercaptoethanol 'natural abundance' . . . . . . 20 . . mM . . . . 18096 1 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18096 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 18096 _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 18096 1 pressure 1 . atm 18096 1 temperature 318 . K 18096 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18096 _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' . . 18096 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18096 1 'structure solution' 18096 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 18096 _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 18096 _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 18096 _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 18096 _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 18096 _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 . . . 18096 1 2 spectrometer_2 Bruker Avance . 700 . . . 18096 1 3 spectrometer_3 Bruker Avance . 800 . . . 18096 1 4 spectrometer_4 Bruker Avance . 900 . . . 18096 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 18096 _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 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 18096 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18096 1 3 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18096 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18096 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18096 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18096 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18096 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18096 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 18096 _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 . . . . . . . . . 18096 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18096 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18096 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 18096 _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' . . . 18096 1 3 '3D 1H-13C NOESY' . . . 18096 1 4 '3D HNCA' . . . 18096 1 5 '3D HN(CO)CA' . . . 18096 1 6 '3D HNCO' . . . 18096 1 7 '2D 1H-15N HSQC' . . . 18096 1 8 '2D 1H-13C HSQC' . . . 18096 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER HA H 1 4.386 0.015 . 1 . . . A 1 SER HA . 18096 1 2 . 1 1 1 1 SER CA C 13 59.045 0.200 . 1 . . . A 1 SER CA . 18096 1 3 . 1 1 2 2 ASN HA H 1 4.733 0.004 . 1 . . . A 2 ASN HA . 18096 1 4 . 1 1 2 2 ASN HB2 H 1 2.808 0.035 . 2 . . . A 2 ASN HB2 . 18096 1 5 . 1 1 2 2 ASN HB3 H 1 2.779 0.200 . 2 . . . A 2 ASN HB3 . 18096 1 6 . 1 1 2 2 ASN C C 13 175.295 0.200 . 1 . . . A 2 ASN C . 18096 1 7 . 1 1 2 2 ASN CA C 13 53.666 0.200 . 1 . . . A 2 ASN CA . 18096 1 8 . 1 1 2 2 ASN CB C 13 39.044 0.012 . 1 . . . A 2 ASN CB . 18096 1 9 . 1 1 3 3 ALA H H 1 8.402 0.003 . 1 . . . A 3 ALA H . 18096 1 10 . 1 1 3 3 ALA HA H 1 4.206 0.005 . 1 . . . A 3 ALA HA . 18096 1 11 . 1 1 3 3 ALA HB1 H 1 1.341 0.015 . 1 . . . A 3 ALA HB1 . 18096 1 12 . 1 1 3 3 ALA HB2 H 1 1.341 0.015 . 1 . . . A 3 ALA HB2 . 18096 1 13 . 1 1 3 3 ALA HB3 H 1 1.341 0.015 . 1 . . . A 3 ALA HB3 . 18096 1 14 . 1 1 3 3 ALA C C 13 178.133 0.200 . 1 . . . A 3 ALA C . 18096 1 15 . 1 1 3 3 ALA CA C 13 53.685 0.200 . 1 . . . A 3 ALA CA . 18096 1 16 . 1 1 3 3 ALA CB C 13 19.083 0.200 . 1 . . . A 3 ALA CB . 18096 1 17 . 1 1 3 3 ALA N N 15 124.656 0.080 . 1 . . . A 3 ALA N . 18096 1 18 . 1 1 4 4 GLU H H 1 8.219 0.004 . 1 . . . A 4 GLU H . 18096 1 19 . 1 1 4 4 GLU HA H 1 4.129 0.026 . 1 . . . A 4 GLU HA . 18096 1 20 . 1 1 4 4 GLU HB2 H 1 2.000 0.013 . 2 . . . A 4 GLU HB2 . 18096 1 21 . 1 1 4 4 GLU HB3 H 1 1.941 0.015 . 2 . . . A 4 GLU HB3 . 18096 1 22 . 1 1 4 4 GLU HG2 H 1 2.221 0.007 . 2 . . . A 4 GLU HG2 . 18096 1 23 . 1 1 4 4 GLU C C 13 176.534 0.200 . 1 . . . A 4 GLU C . 18096 1 24 . 1 1 4 4 GLU CA C 13 57.424 0.004 . 1 . . . A 4 GLU CA . 18096 1 25 . 1 1 4 4 GLU CB C 13 29.884 0.088 . 1 . . . A 4 GLU CB . 18096 1 26 . 1 1 4 4 GLU CG C 13 35.992 0.030 . 1 . . . A 4 GLU CG . 18096 1 27 . 1 1 4 4 GLU N N 15 117.439 0.023 . 1 . . . A 4 GLU N . 18096 1 28 . 1 1 5 5 GLU H H 1 7.992 0.009 . 1 . . . A 5 GLU H . 18096 1 29 . 1 1 5 5 GLU HA H 1 4.211 0.004 . 1 . . . A 5 GLU HA . 18096 1 30 . 1 1 5 5 GLU HB2 H 1 2.028 0.008 . 2 . . . A 5 GLU HB2 . 18096 1 31 . 1 1 5 5 GLU HB3 H 1 1.959 0.019 . 2 . . . A 5 GLU HB3 . 18096 1 32 . 1 1 5 5 GLU HG2 H 1 2.214 0.011 . 2 . . . A 5 GLU HG2 . 18096 1 33 . 1 1 5 5 GLU C C 13 176.604 0.200 . 1 . . . A 5 GLU C . 18096 1 34 . 1 1 5 5 GLU CA C 13 56.951 0.102 . 1 . . . A 5 GLU CA . 18096 1 35 . 1 1 5 5 GLU CB C 13 29.962 0.094 . 1 . . . A 5 GLU CB . 18096 1 36 . 1 1 5 5 GLU CG C 13 36.011 0.049 . 1 . . . A 5 GLU CG . 18096 1 37 . 1 1 5 5 GLU N N 15 118.815 0.028 . 1 . . . A 5 GLU N . 18096 1 38 . 1 1 6 6 GLU H H 1 8.148 0.004 . 1 . . . A 6 GLU H . 18096 1 39 . 1 1 6 6 GLU HA H 1 4.184 0.019 . 1 . . . A 6 GLU HA . 18096 1 40 . 1 1 6 6 GLU HB2 H 1 2.105 0.002 . 2 . . . A 6 GLU HB2 . 18096 1 41 . 1 1 6 6 GLU HG2 H 1 2.338 0.015 . 2 . . . A 6 GLU HG2 . 18096 1 42 . 1 1 6 6 GLU HG3 H 1 2.282 0.003 . 2 . . . A 6 GLU HG3 . 18096 1 43 . 1 1 6 6 GLU CA C 13 57.421 0.200 . 1 . . . A 6 GLU CA . 18096 1 44 . 1 1 6 6 GLU CB C 13 28.983 0.027 . 1 . . . A 6 GLU CB . 18096 1 45 . 1 1 6 6 GLU CG C 13 36.263 0.010 . 1 . . . A 6 GLU CG . 18096 1 46 . 1 1 6 6 GLU N N 15 121.446 0.048 . 1 . . . A 6 GLU N . 18096 1 47 . 1 1 7 7 PRO HA H 1 4.263 0.003 . 1 . . . A 7 PRO HA . 18096 1 48 . 1 1 7 7 PRO HB2 H 1 2.223 0.010 . 2 . . . A 7 PRO HB2 . 18096 1 49 . 1 1 7 7 PRO HB3 H 1 1.796 0.007 . 2 . . . A 7 PRO HB3 . 18096 1 50 . 1 1 7 7 PRO HG2 H 1 2.102 0.015 . 2 . . . A 7 PRO HG2 . 18096 1 51 . 1 1 7 7 PRO HG3 H 1 1.991 0.013 . 2 . . . A 7 PRO HG3 . 18096 1 52 . 1 1 7 7 PRO HD2 H 1 3.790 0.006 . 2 . . . A 7 PRO HD2 . 18096 1 53 . 1 1 7 7 PRO HD3 H 1 3.738 0.015 . 2 . . . A 7 PRO HD3 . 18096 1 54 . 1 1 7 7 PRO C C 13 178.717 0.200 . 1 . . . A 7 PRO C . 18096 1 55 . 1 1 7 7 PRO CA C 13 65.529 0.100 . 1 . . . A 7 PRO CA . 18096 1 56 . 1 1 7 7 PRO CB C 13 31.323 0.233 . 1 . . . A 7 PRO CB . 18096 1 57 . 1 1 7 7 PRO CG C 13 28.197 0.017 . 1 . . . A 7 PRO CG . 18096 1 58 . 1 1 7 7 PRO CD C 13 50.602 0.200 . 1 . . . A 7 PRO CD . 18096 1 59 . 1 1 8 8 LEU H H 1 8.222 0.026 . 1 . . . A 8 LEU H . 18096 1 60 . 1 1 8 8 LEU HA H 1 3.952 0.017 . 1 . . . A 8 LEU HA . 18096 1 61 . 1 1 8 8 LEU HB2 H 1 1.705 0.015 . 2 . . . A 8 LEU HB2 . 18096 1 62 . 1 1 8 8 LEU HB3 H 1 1.637 0.012 . 2 . . . A 8 LEU HB3 . 18096 1 63 . 1 1 8 8 LEU HG H 1 1.595 0.005 . 1 . . . A 8 LEU HG . 18096 1 64 . 1 1 8 8 LEU HD11 H 1 0.871 0.013 . 1 . . . A 8 LEU HD11 . 18096 1 65 . 1 1 8 8 LEU HD12 H 1 0.871 0.013 . 1 . . . A 8 LEU HD12 . 18096 1 66 . 1 1 8 8 LEU HD13 H 1 0.871 0.013 . 1 . . . A 8 LEU HD13 . 18096 1 67 . 1 1 8 8 LEU HD21 H 1 0.825 0.015 . 1 . . . A 8 LEU HD21 . 18096 1 68 . 1 1 8 8 LEU HD22 H 1 0.825 0.015 . 1 . . . A 8 LEU HD22 . 18096 1 69 . 1 1 8 8 LEU HD23 H 1 0.825 0.015 . 1 . . . A 8 LEU HD23 . 18096 1 70 . 1 1 8 8 LEU C C 13 177.905 0.200 . 1 . . . A 8 LEU C . 18096 1 71 . 1 1 8 8 LEU CA C 13 57.931 0.200 . 1 . . . A 8 LEU CA . 18096 1 72 . 1 1 8 8 LEU CB C 13 41.773 0.029 . 1 . . . A 8 LEU CB . 18096 1 73 . 1 1 8 8 LEU CG C 13 27.392 0.107 . 1 . . . A 8 LEU CG . 18096 1 74 . 1 1 8 8 LEU CD1 C 13 24.848 0.200 . 2 . . . A 8 LEU CD1 . 18096 1 75 . 1 1 8 8 LEU CD2 C 13 25.286 0.200 . 2 . . . A 8 LEU CD2 . 18096 1 76 . 1 1 8 8 LEU N N 15 119.642 0.041 . 1 . . . A 8 LEU N . 18096 1 77 . 1 1 9 9 PHE H H 1 8.071 0.005 . 1 . . . A 9 PHE H . 18096 1 78 . 1 1 9 9 PHE HA H 1 4.172 0.005 . 1 . . . A 9 PHE HA . 18096 1 79 . 1 1 9 9 PHE HB2 H 1 3.137 0.004 . 2 . . . A 9 PHE HB2 . 18096 1 80 . 1 1 9 9 PHE HD1 H 1 6.987 0.006 . 3 . . . A 9 PHE HD1 . 18096 1 81 . 1 1 9 9 PHE C C 13 177.620 0.200 . 1 . . . A 9 PHE C . 18096 1 82 . 1 1 9 9 PHE CA C 13 61.072 0.200 . 1 . . . A 9 PHE CA . 18096 1 83 . 1 1 9 9 PHE CB C 13 38.838 0.200 . 1 . . . A 9 PHE CB . 18096 1 84 . 1 1 9 9 PHE CD1 C 13 130.800 0.200 . 3 . . . A 9 PHE CD1 . 18096 1 85 . 1 1 9 9 PHE N N 15 118.625 0.027 . 1 . . . A 9 PHE N . 18096 1 86 . 1 1 10 10 TYR H H 1 8.204 0.018 . 1 . . . A 10 TYR H . 18096 1 87 . 1 1 10 10 TYR HA H 1 4.190 0.023 . 1 . . . A 10 TYR HA . 18096 1 88 . 1 1 10 10 TYR HB2 H 1 3.105 0.013 . 2 . . . A 10 TYR HB2 . 18096 1 89 . 1 1 10 10 TYR HD1 H 1 7.094 0.011 . 3 . . . A 10 TYR HD1 . 18096 1 90 . 1 1 10 10 TYR HE1 H 1 6.776 0.004 . 3 . . . A 10 TYR HE1 . 18096 1 91 . 1 1 10 10 TYR C C 13 177.743 0.200 . 1 . . . A 10 TYR C . 18096 1 92 . 1 1 10 10 TYR CA C 13 61.209 0.200 . 1 . . . A 10 TYR CA . 18096 1 93 . 1 1 10 10 TYR CB C 13 38.715 0.200 . 1 . . . A 10 TYR CB . 18096 1 94 . 1 1 10 10 TYR CD1 C 13 132.522 0.288 . 3 . . . A 10 TYR CD1 . 18096 1 95 . 1 1 10 10 TYR CE1 C 13 118.127 0.163 . 3 . . . A 10 TYR CE1 . 18096 1 96 . 1 1 10 10 TYR N N 15 117.829 0.080 . 1 . . . A 10 TYR N . 18096 1 97 . 1 1 11 11 THR H H 1 7.934 0.005 . 1 . . . A 11 THR H . 18096 1 98 . 1 1 11 11 THR HA H 1 3.875 0.012 . 1 . . . A 11 THR HA . 18096 1 99 . 1 1 11 11 THR HB H 1 4.285 0.009 . 1 . . . A 11 THR HB . 18096 1 100 . 1 1 11 11 THR HG21 H 1 1.168 0.008 . 1 . . . A 11 THR HG21 . 18096 1 101 . 1 1 11 11 THR HG22 H 1 1.168 0.008 . 1 . . . A 11 THR HG22 . 18096 1 102 . 1 1 11 11 THR HG23 H 1 1.168 0.008 . 1 . . . A 11 THR HG23 . 18096 1 103 . 1 1 11 11 THR C C 13 175.937 0.200 . 1 . . . A 11 THR C . 18096 1 104 . 1 1 11 11 THR CA C 13 67.187 0.053 . 1 . . . A 11 THR CA . 18096 1 105 . 1 1 11 11 THR CB C 13 68.579 0.011 . 1 . . . A 11 THR CB . 18096 1 106 . 1 1 11 11 THR CG2 C 13 21.902 0.200 . 1 . . . A 11 THR CG2 . 18096 1 107 . 1 1 11 11 THR N N 15 115.545 0.090 . 1 . . . A 11 THR N . 18096 1 108 . 1 1 12 12 ILE H H 1 8.172 0.012 . 1 . . . A 12 ILE H . 18096 1 109 . 1 1 12 12 ILE HA H 1 3.682 0.015 . 1 . . . A 12 ILE HA . 18096 1 110 . 1 1 12 12 ILE HB H 1 1.840 0.014 . 1 . . . A 12 ILE HB . 18096 1 111 . 1 1 12 12 ILE HG12 H 1 1.604 0.015 . 2 . . . A 12 ILE HG12 . 18096 1 112 . 1 1 12 12 ILE HG13 H 1 1.169 0.014 . 2 . . . A 12 ILE HG13 . 18096 1 113 . 1 1 12 12 ILE HG21 H 1 0.852 0.015 . 1 . . . A 12 ILE HG21 . 18096 1 114 . 1 1 12 12 ILE HG22 H 1 0.852 0.015 . 1 . . . A 12 ILE HG22 . 18096 1 115 . 1 1 12 12 ILE HG23 H 1 0.852 0.015 . 1 . . . A 12 ILE HG23 . 18096 1 116 . 1 1 12 12 ILE HD11 H 1 0.776 0.001 . 1 . . . A 12 ILE HD11 . 18096 1 117 . 1 1 12 12 ILE HD12 H 1 0.776 0.001 . 1 . . . A 12 ILE HD12 . 18096 1 118 . 1 1 12 12 ILE HD13 H 1 0.776 0.001 . 1 . . . A 12 ILE HD13 . 18096 1 119 . 1 1 12 12 ILE C C 13 175.863 0.200 . 1 . . . A 12 ILE C . 18096 1 120 . 1 1 12 12 ILE CA C 13 64.821 0.200 . 1 . . . A 12 ILE CA . 18096 1 121 . 1 1 12 12 ILE CB C 13 37.956 0.006 . 1 . . . A 12 ILE CB . 18096 1 122 . 1 1 12 12 ILE CG1 C 13 28.708 0.156 . 1 . . . A 12 ILE CG1 . 18096 1 123 . 1 1 12 12 ILE CG2 C 13 17.730 0.015 . 1 . . . A 12 ILE CG2 . 18096 1 124 . 1 1 12 12 ILE CD1 C 13 13.351 0.003 . 1 . . . A 12 ILE CD1 . 18096 1 125 . 1 1 12 12 ILE N N 15 120.096 0.126 . 1 . . . A 12 ILE N . 18096 1 126 . 1 1 13 13 ASN H H 1 7.731 0.012 . 1 . . . A 13 ASN H . 18096 1 127 . 1 1 13 13 ASN HA H 1 4.393 0.018 . 1 . . . A 13 ASN HA . 18096 1 128 . 1 1 13 13 ASN HB3 H 1 2.448 0.015 . 2 . . . A 13 ASN HB3 . 18096 1 129 . 1 1 13 13 ASN C C 13 174.880 0.200 . 1 . . . A 13 ASN C . 18096 1 130 . 1 1 13 13 ASN CA C 13 55.257 0.200 . 1 . . . A 13 ASN CA . 18096 1 131 . 1 1 13 13 ASN CB C 13 39.546 0.200 . 1 . . . A 13 ASN CB . 18096 1 132 . 1 1 13 13 ASN N N 15 114.444 0.178 . 1 . . . A 13 ASN N . 18096 1 133 . 1 1 14 14 LEU H H 1 7.381 0.008 . 1 . . . A 14 LEU H . 18096 1 134 . 1 1 14 14 LEU HA H 1 4.346 0.026 . 1 . . . A 14 LEU HA . 18096 1 135 . 1 1 14 14 LEU HB2 H 1 1.732 0.011 . 2 . . . A 14 LEU HB2 . 18096 1 136 . 1 1 14 14 LEU HG H 1 1.731 0.015 . 1 . . . A 14 LEU HG . 18096 1 137 . 1 1 14 14 LEU HD11 H 1 0.832 0.007 . 1 . . . A 14 LEU HD11 . 18096 1 138 . 1 1 14 14 LEU HD12 H 1 0.832 0.007 . 1 . . . A 14 LEU HD12 . 18096 1 139 . 1 1 14 14 LEU HD13 H 1 0.832 0.007 . 1 . . . A 14 LEU HD13 . 18096 1 140 . 1 1 14 14 LEU C C 13 177.427 0.200 . 1 . . . A 14 LEU C . 18096 1 141 . 1 1 14 14 LEU CA C 13 56.370 0.200 . 1 . . . A 14 LEU CA . 18096 1 142 . 1 1 14 14 LEU CB C 13 41.766 0.200 . 1 . . . A 14 LEU CB . 18096 1 143 . 1 1 14 14 LEU CG C 13 27.022 0.200 . 1 . . . A 14 LEU CG . 18096 1 144 . 1 1 14 14 LEU CD1 C 13 24.752 0.200 . 2 . . . A 14 LEU CD1 . 18096 1 145 . 1 1 14 14 LEU N N 15 115.306 0.089 . 1 . . . A 14 LEU N . 18096 1 146 . 1 1 15 15 ILE H H 1 8.135 0.011 . 1 . . . A 15 ILE H . 18096 1 147 . 1 1 15 15 ILE HA H 1 3.598 0.018 . 1 . . . A 15 ILE HA . 18096 1 148 . 1 1 15 15 ILE HB H 1 1.796 0.003 . 1 . . . A 15 ILE HB . 18096 1 149 . 1 1 15 15 ILE HG13 H 1 1.256 0.003 . 2 . . . A 15 ILE HG13 . 18096 1 150 . 1 1 15 15 ILE HG21 H 1 0.845 0.015 . 1 . . . A 15 ILE HG21 . 18096 1 151 . 1 1 15 15 ILE HG22 H 1 0.845 0.015 . 1 . . . A 15 ILE HG22 . 18096 1 152 . 1 1 15 15 ILE HG23 H 1 0.845 0.015 . 1 . . . A 15 ILE HG23 . 18096 1 153 . 1 1 15 15 ILE HD11 H 1 0.822 0.005 . 1 . . . A 15 ILE HD11 . 18096 1 154 . 1 1 15 15 ILE HD12 H 1 0.822 0.005 . 1 . . . A 15 ILE HD12 . 18096 1 155 . 1 1 15 15 ILE HD13 H 1 0.822 0.005 . 1 . . . A 15 ILE HD13 . 18096 1 156 . 1 1 15 15 ILE CA C 13 65.452 0.200 . 1 . . . A 15 ILE CA . 18096 1 157 . 1 1 15 15 ILE CB C 13 37.681 0.200 . 1 . . . A 15 ILE CB . 18096 1 158 . 1 1 15 15 ILE CG1 C 13 28.534 0.200 . 1 . . . A 15 ILE CG1 . 18096 1 159 . 1 1 15 15 ILE CG2 C 13 17.660 0.200 . 1 . . . A 15 ILE CG2 . 18096 1 160 . 1 1 15 15 ILE CD1 C 13 13.112 0.126 . 1 . . . A 15 ILE CD1 . 18096 1 161 . 1 1 15 15 ILE N N 15 117.935 0.003 . 1 . . . A 15 ILE N . 18096 1 162 . 1 1 17 17 PRO HA H 1 4.046 0.004 . 1 . . . A 17 PRO HA . 18096 1 163 . 1 1 17 17 PRO HB3 H 1 1.735 0.008 . 2 . . . A 17 PRO HB3 . 18096 1 164 . 1 1 17 17 PRO HG2 H 1 2.278 0.006 . 2 . . . A 17 PRO HG2 . 18096 1 165 . 1 1 17 17 PRO HG3 H 1 1.784 0.005 . 2 . . . A 17 PRO HG3 . 18096 1 166 . 1 1 17 17 PRO HD2 H 1 3.530 0.013 . 2 . . . A 17 PRO HD2 . 18096 1 167 . 1 1 17 17 PRO HD3 H 1 3.489 0.011 . 2 . . . A 17 PRO HD3 . 18096 1 168 . 1 1 17 17 PRO C C 13 177.518 0.200 . 1 . . . A 17 PRO C . 18096 1 169 . 1 1 17 17 PRO CA C 13 66.645 0.200 . 1 . . . A 17 PRO CA . 18096 1 170 . 1 1 17 17 PRO CB C 13 30.966 0.200 . 1 . . . A 17 PRO CB . 18096 1 171 . 1 1 17 17 PRO CG C 13 28.326 0.203 . 1 . . . A 17 PRO CG . 18096 1 172 . 1 1 17 17 PRO CD C 13 50.304 0.035 . 1 . . . A 17 PRO CD . 18096 1 173 . 1 1 18 18 CYS H H 1 7.338 0.009 . 1 . . . A 18 CYS H . 18096 1 174 . 1 1 18 18 CYS HA H 1 3.951 0.006 . 1 . . . A 18 CYS HA . 18096 1 175 . 1 1 18 18 CYS HB2 H 1 3.097 0.003 . 2 . . . A 18 CYS HB2 . 18096 1 176 . 1 1 18 18 CYS HB3 H 1 2.624 0.200 . 2 . . . A 18 CYS HB3 . 18096 1 177 . 1 1 18 18 CYS C C 13 177.617 0.200 . 1 . . . A 18 CYS C . 18096 1 178 . 1 1 18 18 CYS CA C 13 64.488 0.200 . 1 . . . A 18 CYS CA . 18096 1 179 . 1 1 18 18 CYS CB C 13 26.768 0.008 . 1 . . . A 18 CYS CB . 18096 1 180 . 1 1 18 18 CYS N N 15 113.411 0.061 . 1 . . . A 18 CYS N . 18096 1 181 . 1 1 19 19 VAL H H 1 8.587 0.011 . 1 . . . A 19 VAL H . 18096 1 182 . 1 1 19 19 VAL HA H 1 3.521 0.015 . 1 . . . A 19 VAL HA . 18096 1 183 . 1 1 19 19 VAL HB H 1 2.176 0.015 . 1 . . . A 19 VAL HB . 18096 1 184 . 1 1 19 19 VAL HG11 H 1 1.102 0.017 . 1 . . . A 19 VAL HG11 . 18096 1 185 . 1 1 19 19 VAL HG12 H 1 1.102 0.017 . 1 . . . A 19 VAL HG12 . 18096 1 186 . 1 1 19 19 VAL HG13 H 1 1.102 0.017 . 1 . . . A 19 VAL HG13 . 18096 1 187 . 1 1 19 19 VAL HG21 H 1 0.957 0.015 . 1 . . . A 19 VAL HG21 . 18096 1 188 . 1 1 19 19 VAL HG22 H 1 0.957 0.015 . 1 . . . A 19 VAL HG22 . 18096 1 189 . 1 1 19 19 VAL HG23 H 1 0.957 0.015 . 1 . . . A 19 VAL HG23 . 18096 1 190 . 1 1 19 19 VAL C C 13 178.069 0.200 . 1 . . . A 19 VAL C . 18096 1 191 . 1 1 19 19 VAL CA C 13 67.065 0.200 . 1 . . . A 19 VAL CA . 18096 1 192 . 1 1 19 19 VAL CB C 13 31.752 0.200 . 1 . . . A 19 VAL CB . 18096 1 193 . 1 1 19 19 VAL CG1 C 13 22.998 0.200 . 2 . . . A 19 VAL CG1 . 18096 1 194 . 1 1 19 19 VAL CG2 C 13 21.388 0.200 . 2 . . . A 19 VAL CG2 . 18096 1 195 . 1 1 19 19 VAL N N 15 121.720 0.131 . 1 . . . A 19 VAL N . 18096 1 196 . 1 1 20 20 LEU H H 1 8.344 0.008 . 1 . . . A 20 LEU H . 18096 1 197 . 1 1 20 20 LEU HA H 1 4.021 0.014 . 1 . . . A 20 LEU HA . 18096 1 198 . 1 1 20 20 LEU HB2 H 1 1.840 0.005 . 2 . . . A 20 LEU HB2 . 18096 1 199 . 1 1 20 20 LEU HB3 H 1 1.690 0.015 . 2 . . . A 20 LEU HB3 . 18096 1 200 . 1 1 20 20 LEU HD11 H 1 0.886 0.015 . 1 . . . A 20 LEU HD11 . 18096 1 201 . 1 1 20 20 LEU HD12 H 1 0.886 0.015 . 1 . . . A 20 LEU HD12 . 18096 1 202 . 1 1 20 20 LEU HD13 H 1 0.886 0.015 . 1 . . . A 20 LEU HD13 . 18096 1 203 . 1 1 20 20 LEU HD21 H 1 0.784 0.015 . 1 . . . A 20 LEU HD21 . 18096 1 204 . 1 1 20 20 LEU HD22 H 1 0.784 0.015 . 1 . . . A 20 LEU HD22 . 18096 1 205 . 1 1 20 20 LEU HD23 H 1 0.784 0.015 . 1 . . . A 20 LEU HD23 . 18096 1 206 . 1 1 20 20 LEU C C 13 177.989 0.200 . 1 . . . A 20 LEU C . 18096 1 207 . 1 1 20 20 LEU CA C 13 58.649 0.200 . 1 . . . A 20 LEU CA . 18096 1 208 . 1 1 20 20 LEU CB C 13 41.934 0.029 . 1 . . . A 20 LEU CB . 18096 1 209 . 1 1 20 20 LEU CD1 C 13 25.091 0.200 . 2 . . . A 20 LEU CD1 . 18096 1 210 . 1 1 20 20 LEU CD2 C 13 24.813 0.200 . 2 . . . A 20 LEU CD2 . 18096 1 211 . 1 1 20 20 LEU N N 15 121.731 0.046 . 1 . . . A 20 LEU N . 18096 1 212 . 1 1 21 21 ILE H H 1 8.371 0.007 . 1 . . . A 21 ILE H . 18096 1 213 . 1 1 21 21 ILE HA H 1 3.669 0.008 . 1 . . . A 21 ILE HA . 18096 1 214 . 1 1 21 21 ILE HB H 1 1.807 0.020 . 1 . . . A 21 ILE HB . 18096 1 215 . 1 1 21 21 ILE HG13 H 1 1.204 0.016 . 2 . . . A 21 ILE HG13 . 18096 1 216 . 1 1 21 21 ILE HG21 H 1 0.849 0.003 . 1 . . . A 21 ILE HG21 . 18096 1 217 . 1 1 21 21 ILE HG22 H 1 0.849 0.003 . 1 . . . A 21 ILE HG22 . 18096 1 218 . 1 1 21 21 ILE HG23 H 1 0.849 0.003 . 1 . . . A 21 ILE HG23 . 18096 1 219 . 1 1 21 21 ILE HD11 H 1 0.789 0.015 . 1 . . . A 21 ILE HD11 . 18096 1 220 . 1 1 21 21 ILE HD12 H 1 0.789 0.015 . 1 . . . A 21 ILE HD12 . 18096 1 221 . 1 1 21 21 ILE HD13 H 1 0.789 0.015 . 1 . . . A 21 ILE HD13 . 18096 1 222 . 1 1 21 21 ILE C C 13 176.947 0.200 . 1 . . . A 21 ILE C . 18096 1 223 . 1 1 21 21 ILE CA C 13 65.356 0.200 . 1 . . . A 21 ILE CA . 18096 1 224 . 1 1 21 21 ILE CB C 13 37.918 0.200 . 1 . . . A 21 ILE CB . 18096 1 225 . 1 1 21 21 ILE CG1 C 13 28.372 0.200 . 1 . . . A 21 ILE CG1 . 18096 1 226 . 1 1 21 21 ILE CG2 C 13 17.721 0.200 . 1 . . . A 21 ILE CG2 . 18096 1 227 . 1 1 21 21 ILE CD1 C 13 12.556 0.200 . 1 . . . A 21 ILE CD1 . 18096 1 228 . 1 1 21 21 ILE N N 15 117.403 0.018 . 1 . . . A 21 ILE N . 18096 1 229 . 1 1 22 22 THR H H 1 7.829 0.009 . 1 . . . A 22 THR H . 18096 1 230 . 1 1 22 22 THR HA H 1 3.681 0.027 . 1 . . . A 22 THR HA . 18096 1 231 . 1 1 22 22 THR HB H 1 4.238 0.015 . 1 . . . A 22 THR HB . 18096 1 232 . 1 1 22 22 THR HG21 H 1 1.100 0.025 . 1 . . . A 22 THR HG21 . 18096 1 233 . 1 1 22 22 THR HG22 H 1 1.100 0.025 . 1 . . . A 22 THR HG22 . 18096 1 234 . 1 1 22 22 THR HG23 H 1 1.100 0.025 . 1 . . . A 22 THR HG23 . 18096 1 235 . 1 1 22 22 THR C C 13 176.073 0.200 . 1 . . . A 22 THR C . 18096 1 236 . 1 1 22 22 THR CA C 13 68.152 0.200 . 1 . . . A 22 THR CA . 18096 1 237 . 1 1 22 22 THR CB C 13 68.428 0.200 . 1 . . . A 22 THR CB . 18096 1 238 . 1 1 22 22 THR CG2 C 13 21.668 0.200 . 1 . . . A 22 THR CG2 . 18096 1 239 . 1 1 22 22 THR N N 15 115.544 0.063 . 1 . . . A 22 THR N . 18096 1 240 . 1 1 23 23 SER H H 1 8.069 0.009 . 1 . . . A 23 SER H . 18096 1 241 . 1 1 23 23 SER HA H 1 4.023 0.200 . 1 . . . A 23 SER HA . 18096 1 242 . 1 1 23 23 SER HB2 H 1 3.720 0.013 . 2 . . . A 23 SER HB2 . 18096 1 243 . 1 1 23 23 SER C C 13 175.279 0.200 . 1 . . . A 23 SER C . 18096 1 244 . 1 1 23 23 SER CA C 13 63.884 0.200 . 1 . . . A 23 SER CA . 18096 1 245 . 1 1 23 23 SER CB C 13 62.971 0.200 . 1 . . . A 23 SER CB . 18096 1 246 . 1 1 23 23 SER N N 15 116.192 0.300 . 1 . . . A 23 SER N . 18096 1 247 . 1 1 24 24 LEU H H 1 7.858 0.009 . 1 . . . A 24 LEU H . 18096 1 248 . 1 1 24 24 LEU HA H 1 3.981 0.001 . 1 . . . A 24 LEU HA . 18096 1 249 . 1 1 24 24 LEU HB2 H 1 1.780 0.007 . 2 . . . A 24 LEU HB2 . 18096 1 250 . 1 1 24 24 LEU HB3 H 1 1.562 0.003 . 2 . . . A 24 LEU HB3 . 18096 1 251 . 1 1 24 24 LEU HG H 1 1.738 0.015 . 1 . . . A 24 LEU HG . 18096 1 252 . 1 1 24 24 LEU HD11 H 1 0.811 0.002 . 1 . . . A 24 LEU HD11 . 18096 1 253 . 1 1 24 24 LEU HD12 H 1 0.811 0.002 . 1 . . . A 24 LEU HD12 . 18096 1 254 . 1 1 24 24 LEU HD13 H 1 0.811 0.002 . 1 . . . A 24 LEU HD13 . 18096 1 255 . 1 1 24 24 LEU C C 13 177.542 0.200 . 1 . . . A 24 LEU C . 18096 1 256 . 1 1 24 24 LEU CA C 13 58.036 0.200 . 1 . . . A 24 LEU CA . 18096 1 257 . 1 1 24 24 LEU CB C 13 41.941 0.035 . 1 . . . A 24 LEU CB . 18096 1 258 . 1 1 24 24 LEU CG C 13 27.074 0.200 . 1 . . . A 24 LEU CG . 18096 1 259 . 1 1 24 24 LEU CD1 C 13 25.181 0.200 . 2 . . . A 24 LEU CD1 . 18096 1 260 . 1 1 24 24 LEU N N 15 120.855 0.072 . 1 . . . A 24 LEU N . 18096 1 261 . 1 1 25 25 ALA H H 1 8.141 0.009 . 1 . . . A 25 ALA H . 18096 1 262 . 1 1 25 25 ALA HA H 1 3.940 0.011 . 1 . . . A 25 ALA HA . 18096 1 263 . 1 1 25 25 ALA HB1 H 1 1.507 0.005 . 1 . . . A 25 ALA HB1 . 18096 1 264 . 1 1 25 25 ALA HB2 H 1 1.507 0.005 . 1 . . . A 25 ALA HB2 . 18096 1 265 . 1 1 25 25 ALA HB3 H 1 1.507 0.005 . 1 . . . A 25 ALA HB3 . 18096 1 266 . 1 1 25 25 ALA C C 13 177.915 0.200 . 1 . . . A 25 ALA C . 18096 1 267 . 1 1 25 25 ALA CA C 13 55.612 0.084 . 1 . . . A 25 ALA CA . 18096 1 268 . 1 1 25 25 ALA CB C 13 18.251 0.123 . 1 . . . A 25 ALA CB . 18096 1 269 . 1 1 25 25 ALA N N 15 119.507 0.037 . 1 . . . A 25 ALA N . 18096 1 270 . 1 1 26 26 ILE H H 1 8.012 0.012 . 1 . . . A 26 ILE H . 18096 1 271 . 1 1 26 26 ILE HA H 1 3.798 0.020 . 1 . . . A 26 ILE HA . 18096 1 272 . 1 1 26 26 ILE HB H 1 2.016 0.007 . 1 . . . A 26 ILE HB . 18096 1 273 . 1 1 26 26 ILE HG12 H 1 1.803 0.015 . 2 . . . A 26 ILE HG12 . 18096 1 274 . 1 1 26 26 ILE HG13 H 1 1.261 0.008 . 2 . . . A 26 ILE HG13 . 18096 1 275 . 1 1 26 26 ILE HG21 H 1 0.970 0.008 . 1 . . . A 26 ILE HG21 . 18096 1 276 . 1 1 26 26 ILE HG22 H 1 0.970 0.008 . 1 . . . A 26 ILE HG22 . 18096 1 277 . 1 1 26 26 ILE HG23 H 1 0.970 0.008 . 1 . . . A 26 ILE HG23 . 18096 1 278 . 1 1 26 26 ILE HD11 H 1 0.780 0.008 . 1 . . . A 26 ILE HD11 . 18096 1 279 . 1 1 26 26 ILE HD12 H 1 0.780 0.008 . 1 . . . A 26 ILE HD12 . 18096 1 280 . 1 1 26 26 ILE HD13 H 1 0.780 0.008 . 1 . . . A 26 ILE HD13 . 18096 1 281 . 1 1 26 26 ILE C C 13 177.729 0.200 . 1 . . . A 26 ILE C . 18096 1 282 . 1 1 26 26 ILE CA C 13 65.340 0.200 . 1 . . . A 26 ILE CA . 18096 1 283 . 1 1 26 26 ILE CB C 13 37.830 0.200 . 1 . . . A 26 ILE CB . 18096 1 284 . 1 1 26 26 ILE CG1 C 13 28.498 0.030 . 1 . . . A 26 ILE CG1 . 18096 1 285 . 1 1 26 26 ILE CG2 C 13 18.263 0.181 . 1 . . . A 26 ILE CG2 . 18096 1 286 . 1 1 26 26 ILE CD1 C 13 13.347 0.200 . 1 . . . A 26 ILE CD1 . 18096 1 287 . 1 1 26 26 ILE N N 15 115.689 0.003 . 1 . . . A 26 ILE N . 18096 1 288 . 1 1 27 27 LEU H H 1 8.045 0.009 . 1 . . . A 27 LEU H . 18096 1 289 . 1 1 27 27 LEU HA H 1 4.006 0.009 . 1 . . . A 27 LEU HA . 18096 1 290 . 1 1 27 27 LEU HB2 H 1 1.750 0.019 . 2 . . . A 27 LEU HB2 . 18096 1 291 . 1 1 27 27 LEU HG H 1 1.726 0.015 . 1 . . . A 27 LEU HG . 18096 1 292 . 1 1 27 27 LEU HD11 H 1 0.821 0.015 . 1 . . . A 27 LEU HD11 . 18096 1 293 . 1 1 27 27 LEU HD12 H 1 0.821 0.015 . 1 . . . A 27 LEU HD12 . 18096 1 294 . 1 1 27 27 LEU HD13 H 1 0.821 0.015 . 1 . . . A 27 LEU HD13 . 18096 1 295 . 1 1 27 27 LEU C C 13 178.364 0.200 . 1 . . . A 27 LEU C . 18096 1 296 . 1 1 27 27 LEU CA C 13 58.737 0.200 . 1 . . . A 27 LEU CA . 18096 1 297 . 1 1 27 27 LEU CB C 13 41.837 0.200 . 1 . . . A 27 LEU CB . 18096 1 298 . 1 1 27 27 LEU CG C 13 27.022 0.200 . 1 . . . A 27 LEU CG . 18096 1 299 . 1 1 27 27 LEU CD1 C 13 25.146 0.200 . 2 . . . A 27 LEU CD1 . 18096 1 300 . 1 1 27 27 LEU N N 15 118.567 0.156 . 1 . . . A 27 LEU N . 18096 1 301 . 1 1 28 28 VAL H H 1 8.008 0.020 . 1 . . . A 28 VAL H . 18096 1 302 . 1 1 28 28 VAL HA H 1 3.575 0.014 . 1 . . . A 28 VAL HA . 18096 1 303 . 1 1 28 28 VAL HB H 1 1.991 0.013 . 1 . . . A 28 VAL HB . 18096 1 304 . 1 1 28 28 VAL HG11 H 1 0.896 0.015 . 1 . . . A 28 VAL HG11 . 18096 1 305 . 1 1 28 28 VAL HG12 H 1 0.896 0.015 . 1 . . . A 28 VAL HG12 . 18096 1 306 . 1 1 28 28 VAL HG13 H 1 0.896 0.015 . 1 . . . A 28 VAL HG13 . 18096 1 307 . 1 1 28 28 VAL HG21 H 1 0.574 0.012 . 1 . . . A 28 VAL HG21 . 18096 1 308 . 1 1 28 28 VAL HG22 H 1 0.574 0.012 . 1 . . . A 28 VAL HG22 . 18096 1 309 . 1 1 28 28 VAL HG23 H 1 0.574 0.012 . 1 . . . A 28 VAL HG23 . 18096 1 310 . 1 1 28 28 VAL C C 13 177.809 0.200 . 1 . . . A 28 VAL C . 18096 1 311 . 1 1 28 28 VAL CA C 13 66.013 0.200 . 1 . . . A 28 VAL CA . 18096 1 312 . 1 1 28 28 VAL CB C 13 32.050 0.200 . 1 . . . A 28 VAL CB . 18096 1 313 . 1 1 28 28 VAL CG1 C 13 22.911 0.200 . 2 . . . A 28 VAL CG1 . 18096 1 314 . 1 1 28 28 VAL CG2 C 13 21.759 0.322 . 2 . . . A 28 VAL CG2 . 18096 1 315 . 1 1 28 28 VAL N N 15 113.720 0.285 . 1 . . . A 28 VAL N . 18096 1 316 . 1 1 29 29 PHE H H 1 7.915 0.007 . 1 . . . A 29 PHE H . 18096 1 317 . 1 1 29 29 PHE HA H 1 4.209 0.003 . 1 . . . A 29 PHE HA . 18096 1 318 . 1 1 29 29 PHE HB2 H 1 3.096 0.015 . 2 . . . A 29 PHE HB2 . 18096 1 319 . 1 1 29 29 PHE HB3 H 1 2.945 0.016 . 2 . . . A 29 PHE HB3 . 18096 1 320 . 1 1 29 29 PHE HD2 H 1 7.130 0.008 . 3 . . . A 29 PHE HD2 . 18096 1 321 . 1 1 29 29 PHE C C 13 176.366 0.200 . 1 . . . A 29 PHE C . 18096 1 322 . 1 1 29 29 PHE CA C 13 60.858 0.200 . 1 . . . A 29 PHE CA . 18096 1 323 . 1 1 29 29 PHE CB C 13 39.597 0.039 . 1 . . . A 29 PHE CB . 18096 1 324 . 1 1 29 29 PHE CD2 C 13 130.900 0.200 . 3 . . . A 29 PHE CD2 . 18096 1 325 . 1 1 29 29 PHE N N 15 115.458 0.108 . 1 . . . A 29 PHE N . 18096 1 326 . 1 1 30 30 TYR H H 1 8.002 0.013 . 1 . . . A 30 TYR H . 18096 1 327 . 1 1 30 30 TYR HA H 1 4.241 0.002 . 1 . . . A 30 TYR HA . 18096 1 328 . 1 1 30 30 TYR HB2 H 1 3.250 0.005 . 2 . . . A 30 TYR HB2 . 18096 1 329 . 1 1 30 30 TYR HB3 H 1 2.878 0.016 . 2 . . . A 30 TYR HB3 . 18096 1 330 . 1 1 30 30 TYR HD1 H 1 7.265 0.012 . 3 . . . A 30 TYR HD1 . 18096 1 331 . 1 1 30 30 TYR HE1 H 1 6.691 0.015 . 3 . . . A 30 TYR HE1 . 18096 1 332 . 1 1 30 30 TYR C C 13 175.388 0.200 . 1 . . . A 30 TYR C . 18096 1 333 . 1 1 30 30 TYR CA C 13 59.386 0.200 . 1 . . . A 30 TYR CA . 18096 1 334 . 1 1 30 30 TYR CB C 13 39.640 0.206 . 1 . . . A 30 TYR CB . 18096 1 335 . 1 1 30 30 TYR CD1 C 13 132.896 0.200 . 3 . . . A 30 TYR CD1 . 18096 1 336 . 1 1 30 30 TYR CE1 C 13 118.222 0.200 . 3 . . . A 30 TYR CE1 . 18096 1 337 . 1 1 30 30 TYR N N 15 115.649 0.109 . 1 . . . A 30 TYR N . 18096 1 338 . 1 1 31 31 LEU H H 1 7.514 0.015 . 1 . . . A 31 LEU H . 18096 1 339 . 1 1 31 31 LEU HA H 1 4.448 0.019 . 1 . . . A 31 LEU HA . 18096 1 340 . 1 1 31 31 LEU HB2 H 1 1.816 0.010 . 2 . . . A 31 LEU HB2 . 18096 1 341 . 1 1 31 31 LEU HD11 H 1 0.835 0.004 . 1 . . . A 31 LEU HD11 . 18096 1 342 . 1 1 31 31 LEU HD12 H 1 0.835 0.004 . 1 . . . A 31 LEU HD12 . 18096 1 343 . 1 1 31 31 LEU HD13 H 1 0.835 0.004 . 1 . . . A 31 LEU HD13 . 18096 1 344 . 1 1 31 31 LEU CA C 13 54.149 0.200 . 1 . . . A 31 LEU CA . 18096 1 345 . 1 1 31 31 LEU CB C 13 42.336 0.200 . 1 . . . A 31 LEU CB . 18096 1 346 . 1 1 31 31 LEU CD1 C 13 24.558 0.200 . 2 . . . A 31 LEU CD1 . 18096 1 347 . 1 1 31 31 LEU N N 15 121.144 0.068 . 1 . . . A 31 LEU N . 18096 1 348 . 1 1 32 32 PRO HD2 H 1 3.751 0.015 . 2 . . . A 32 PRO HD2 . 18096 1 349 . 1 1 32 32 PRO HD3 H 1 3.543 0.006 . 2 . . . A 32 PRO HD3 . 18096 1 350 . 1 1 32 32 PRO C C 13 176.530 0.200 . 1 . . . A 32 PRO C . 18096 1 351 . 1 1 32 32 PRO CD C 13 50.403 0.010 . 1 . . . A 32 PRO CD . 18096 1 352 . 1 1 33 33 SER H H 1 8.370 0.010 . 1 . . . A 33 SER H . 18096 1 353 . 1 1 33 33 SER HA H 1 4.317 0.015 . 1 . . . A 33 SER HA . 18096 1 354 . 1 1 33 33 SER C C 13 174.174 0.200 . 1 . . . A 33 SER C . 18096 1 355 . 1 1 33 33 SER CA C 13 59.954 0.200 . 1 . . . A 33 SER CA . 18096 1 356 . 1 1 33 33 SER N N 15 115.448 0.047 . 1 . . . A 33 SER N . 18096 1 357 . 1 1 34 34 ASP H H 1 8.209 0.025 . 1 . . . A 34 ASP H . 18096 1 358 . 1 1 34 34 ASP HA H 1 4.585 0.004 . 1 . . . A 34 ASP HA . 18096 1 359 . 1 1 34 34 ASP HB2 H 1 2.680 0.002 . 2 . . . A 34 ASP HB2 . 18096 1 360 . 1 1 34 34 ASP C C 13 175.971 0.200 . 1 . . . A 34 ASP C . 18096 1 361 . 1 1 34 34 ASP CA C 13 54.442 0.200 . 1 . . . A 34 ASP CA . 18096 1 362 . 1 1 34 34 ASP CB C 13 41.240 0.200 . 1 . . . A 34 ASP CB . 18096 1 363 . 1 1 34 34 ASP N N 15 119.694 0.029 . 1 . . . A 34 ASP N . 18096 1 364 . 1 1 35 35 CYS H H 1 7.750 0.010 . 1 . . . A 35 CYS H . 18096 1 365 . 1 1 35 35 CYS HA H 1 4.203 0.021 . 1 . . . A 35 CYS HA . 18096 1 366 . 1 1 35 35 CYS HB2 H 1 3.000 0.013 . 2 . . . A 35 CYS HB2 . 18096 1 367 . 1 1 35 35 CYS HB3 H 1 2.899 0.015 . 2 . . . A 35 CYS HB3 . 18096 1 368 . 1 1 35 35 CYS C C 13 175.147 0.200 . 1 . . . A 35 CYS C . 18096 1 369 . 1 1 35 35 CYS CA C 13 61.121 0.200 . 1 . . . A 35 CYS CA . 18096 1 370 . 1 1 35 35 CYS CB C 13 27.886 0.010 . 1 . . . A 35 CYS CB . 18096 1 371 . 1 1 35 35 CYS N N 15 114.872 0.029 . 1 . . . A 35 CYS N . 18096 1 372 . 1 1 36 36 GLY H H 1 8.357 0.014 . 1 . . . A 36 GLY H . 18096 1 373 . 1 1 36 36 GLY HA2 H 1 3.874 0.015 . 2 . . . A 36 GLY HA2 . 18096 1 374 . 1 1 36 36 GLY C C 13 174.391 0.200 . 1 . . . A 36 GLY C . 18096 1 375 . 1 1 36 36 GLY CA C 13 46.287 0.200 . 1 . . . A 36 GLY CA . 18096 1 376 . 1 1 36 36 GLY N N 15 110.059 0.001 . 1 . . . A 36 GLY N . 18096 1 377 . 1 1 37 37 GLU H H 1 8.359 0.007 . 1 . . . A 37 GLU H . 18096 1 378 . 1 1 37 37 GLU HA H 1 4.066 0.015 . 1 . . . A 37 GLU HA . 18096 1 379 . 1 1 37 37 GLU HB3 H 1 2.036 0.007 . 2 . . . A 37 GLU HB3 . 18096 1 380 . 1 1 37 37 GLU HG2 H 1 2.281 0.007 . 2 . . . A 37 GLU HG2 . 18096 1 381 . 1 1 37 37 GLU C C 13 176.536 0.200 . 1 . . . A 37 GLU C . 18096 1 382 . 1 1 37 37 GLU CA C 13 58.526 0.200 . 1 . . . A 37 GLU CA . 18096 1 383 . 1 1 37 37 GLU CB C 13 29.730 0.200 . 1 . . . A 37 GLU CB . 18096 1 384 . 1 1 37 37 GLU CG C 13 36.375 0.200 . 1 . . . A 37 GLU CG . 18096 1 385 . 1 1 37 37 GLU N N 15 121.785 0.176 . 1 . . . A 37 GLU N . 18096 1 386 . 1 1 38 38 LYS H H 1 8.226 0.016 . 1 . . . A 38 LYS H . 18096 1 387 . 1 1 38 38 LYS HA H 1 4.123 0.019 . 1 . . . A 38 LYS HA . 18096 1 388 . 1 1 38 38 LYS HB2 H 1 1.828 0.003 . 2 . . . A 38 LYS HB2 . 18096 1 389 . 1 1 38 38 LYS HG2 H 1 1.399 0.009 . 2 . . . A 38 LYS HG2 . 18096 1 390 . 1 1 38 38 LYS HD2 H 1 1.653 0.016 . 2 . . . A 38 LYS HD2 . 18096 1 391 . 1 1 38 38 LYS HD3 H 1 1.653 0.016 . 2 . . . A 38 LYS HD3 . 18096 1 392 . 1 1 38 38 LYS HE2 H 1 2.950 0.007 . 2 . . . A 38 LYS HE2 . 18096 1 393 . 1 1 38 38 LYS HE3 H 1 2.950 0.007 . 2 . . . A 38 LYS HE3 . 18096 1 394 . 1 1 38 38 LYS C C 13 177.544 0.200 . 1 . . . A 38 LYS C . 18096 1 395 . 1 1 38 38 LYS CA C 13 58.569 0.200 . 1 . . . A 38 LYS CA . 18096 1 396 . 1 1 38 38 LYS CB C 13 31.677 0.200 . 1 . . . A 38 LYS CB . 18096 1 397 . 1 1 38 38 LYS CG C 13 24.838 0.014 . 1 . . . A 38 LYS CG . 18096 1 398 . 1 1 38 38 LYS CD C 13 28.991 0.200 . 1 . . . A 38 LYS CD . 18096 1 399 . 1 1 38 38 LYS CE C 13 42.210 0.050 . 1 . . . A 38 LYS CE . 18096 1 400 . 1 1 38 38 LYS N N 15 123.927 0.240 . 1 . . . A 38 LYS N . 18096 1 401 . 1 1 39 39 MET H H 1 8.262 0.007 . 1 . . . A 39 MET H . 18096 1 402 . 1 1 39 39 MET HA H 1 4.135 0.015 . 1 . . . A 39 MET HA . 18096 1 403 . 1 1 39 39 MET HB2 H 1 2.170 0.015 . 2 . . . A 39 MET HB2 . 18096 1 404 . 1 1 39 39 MET HG2 H 1 2.570 0.015 . 2 . . . A 39 MET HG2 . 18096 1 405 . 1 1 39 39 MET HE1 H 1 2.026 0.015 . 1 . . . A 39 MET HE1 . 18096 1 406 . 1 1 39 39 MET HE2 H 1 2.026 0.015 . 1 . . . A 39 MET HE2 . 18096 1 407 . 1 1 39 39 MET HE3 H 1 2.026 0.015 . 1 . . . A 39 MET HE3 . 18096 1 408 . 1 1 39 39 MET C C 13 178.602 0.200 . 1 . . . A 39 MET C . 18096 1 409 . 1 1 39 39 MET CA C 13 58.851 0.200 . 1 . . . A 39 MET CA . 18096 1 410 . 1 1 39 39 MET CB C 13 32.220 0.200 . 1 . . . A 39 MET CB . 18096 1 411 . 1 1 39 39 MET CG C 13 32.833 0.200 . 1 . . . A 39 MET CG . 18096 1 412 . 1 1 39 39 MET CE C 13 17.582 0.200 . 1 . . . A 39 MET CE . 18096 1 413 . 1 1 39 39 MET N N 15 117.932 0.010 . 1 . . . A 39 MET N . 18096 1 414 . 1 1 40 40 THR H H 1 8.341 0.005 . 1 . . . A 40 THR H . 18096 1 415 . 1 1 40 40 THR HA H 1 3.673 0.012 . 1 . . . A 40 THR HA . 18096 1 416 . 1 1 40 40 THR HG21 H 1 1.114 0.009 . 1 . . . A 40 THR HG21 . 18096 1 417 . 1 1 40 40 THR HG22 H 1 1.114 0.009 . 1 . . . A 40 THR HG22 . 18096 1 418 . 1 1 40 40 THR HG23 H 1 1.114 0.009 . 1 . . . A 40 THR HG23 . 18096 1 419 . 1 1 40 40 THR C C 13 175.927 0.200 . 1 . . . A 40 THR C . 18096 1 420 . 1 1 40 40 THR CA C 13 67.352 0.200 . 1 . . . A 40 THR CA . 18096 1 421 . 1 1 40 40 THR CG2 C 13 21.666 0.200 . 1 . . . A 40 THR CG2 . 18096 1 422 . 1 1 40 40 THR N N 15 117.201 0.009 . 1 . . . A 40 THR N . 18096 1 423 . 1 1 41 41 LEU H H 1 8.181 0.008 . 1 . . . A 41 LEU H . 18096 1 424 . 1 1 41 41 LEU HA H 1 4.052 0.015 . 1 . . . A 41 LEU HA . 18096 1 425 . 1 1 41 41 LEU HB3 H 1 1.599 0.015 . 2 . . . A 41 LEU HB3 . 18096 1 426 . 1 1 41 41 LEU HD11 H 1 0.830 0.015 . 1 . . . A 41 LEU HD11 . 18096 1 427 . 1 1 41 41 LEU HD12 H 1 0.830 0.015 . 1 . . . A 41 LEU HD12 . 18096 1 428 . 1 1 41 41 LEU HD13 H 1 0.830 0.015 . 1 . . . A 41 LEU HD13 . 18096 1 429 . 1 1 41 41 LEU C C 13 177.809 0.200 . 1 . . . A 41 LEU C . 18096 1 430 . 1 1 41 41 LEU CA C 13 58.387 0.200 . 1 . . . A 41 LEU CA . 18096 1 431 . 1 1 41 41 LEU CD1 C 13 25.154 0.200 . 2 . . . A 41 LEU CD1 . 18096 1 432 . 1 1 41 41 LEU N N 15 120.040 0.121 . 1 . . . A 41 LEU N . 18096 1 433 . 1 1 42 42 CYS H H 1 7.949 0.025 . 1 . . . A 42 CYS H . 18096 1 434 . 1 1 42 42 CYS HA H 1 3.952 0.017 . 1 . . . A 42 CYS HA . 18096 1 435 . 1 1 42 42 CYS HB2 H 1 3.133 0.016 . 2 . . . A 42 CYS HB2 . 18096 1 436 . 1 1 42 42 CYS HB3 H 1 2.691 0.012 . 2 . . . A 42 CYS HB3 . 18096 1 437 . 1 1 42 42 CYS C C 13 176.460 0.200 . 1 . . . A 42 CYS C . 18096 1 438 . 1 1 42 42 CYS CA C 13 64.496 0.200 . 1 . . . A 42 CYS CA . 18096 1 439 . 1 1 42 42 CYS CB C 13 26.833 0.146 . 1 . . . A 42 CYS CB . 18096 1 440 . 1 1 42 42 CYS N N 15 117.556 0.300 . 1 . . . A 42 CYS N . 18096 1 441 . 1 1 43 43 ILE H H 1 8.347 0.007 . 1 . . . A 43 ILE H . 18096 1 442 . 1 1 43 43 ILE HA H 1 3.629 0.015 . 1 . . . A 43 ILE HA . 18096 1 443 . 1 1 43 43 ILE HB H 1 1.842 0.015 . 1 . . . A 43 ILE HB . 18096 1 444 . 1 1 43 43 ILE HG13 H 1 1.217 0.015 . 2 . . . A 43 ILE HG13 . 18096 1 445 . 1 1 43 43 ILE HG21 H 1 0.869 0.015 . 1 . . . A 43 ILE HG21 . 18096 1 446 . 1 1 43 43 ILE HG22 H 1 0.869 0.015 . 1 . . . A 43 ILE HG22 . 18096 1 447 . 1 1 43 43 ILE HG23 H 1 0.869 0.015 . 1 . . . A 43 ILE HG23 . 18096 1 448 . 1 1 43 43 ILE HD11 H 1 0.780 0.015 . 1 . . . A 43 ILE HD11 . 18096 1 449 . 1 1 43 43 ILE HD12 H 1 0.780 0.015 . 1 . . . A 43 ILE HD12 . 18096 1 450 . 1 1 43 43 ILE HD13 H 1 0.780 0.015 . 1 . . . A 43 ILE HD13 . 18096 1 451 . 1 1 43 43 ILE C C 13 177.256 0.200 . 1 . . . A 43 ILE C . 18096 1 452 . 1 1 43 43 ILE CA C 13 65.075 0.200 . 1 . . . A 43 ILE CA . 18096 1 453 . 1 1 43 43 ILE CB C 13 37.944 0.200 . 1 . . . A 43 ILE CB . 18096 1 454 . 1 1 43 43 ILE CG1 C 13 28.521 0.200 . 1 . . . A 43 ILE CG1 . 18096 1 455 . 1 1 43 43 ILE CG2 C 13 17.782 0.200 . 1 . . . A 43 ILE CG2 . 18096 1 456 . 1 1 43 43 ILE CD1 C 13 13.241 0.200 . 1 . . . A 43 ILE CD1 . 18096 1 457 . 1 1 43 43 ILE N N 15 117.336 0.114 . 1 . . . A 43 ILE N . 18096 1 458 . 1 1 44 44 SER H H 1 8.064 0.013 . 1 . . . A 44 SER H . 18096 1 459 . 1 1 44 44 SER HA H 1 4.083 0.013 . 1 . . . A 44 SER HA . 18096 1 460 . 1 1 44 44 SER HB2 H 1 3.744 0.004 . 2 . . . A 44 SER HB2 . 18096 1 461 . 1 1 44 44 SER C C 13 176.305 0.200 . 1 . . . A 44 SER C . 18096 1 462 . 1 1 44 44 SER CA C 13 63.348 0.200 . 1 . . . A 44 SER CA . 18096 1 463 . 1 1 44 44 SER CB C 13 62.954 0.200 . 1 . . . A 44 SER CB . 18096 1 464 . 1 1 44 44 SER N N 15 116.243 0.089 . 1 . . . A 44 SER N . 18096 1 465 . 1 1 45 45 VAL H H 1 8.036 0.018 . 1 . . . A 45 VAL H . 18096 1 466 . 1 1 45 45 VAL HA H 1 3.516 0.027 . 1 . . . A 45 VAL HA . 18096 1 467 . 1 1 45 45 VAL HB H 1 2.208 0.003 . 1 . . . A 45 VAL HB . 18096 1 468 . 1 1 45 45 VAL HG11 H 1 0.996 0.013 . 1 . . . A 45 VAL HG11 . 18096 1 469 . 1 1 45 45 VAL HG12 H 1 0.996 0.013 . 1 . . . A 45 VAL HG12 . 18096 1 470 . 1 1 45 45 VAL HG13 H 1 0.996 0.013 . 1 . . . A 45 VAL HG13 . 18096 1 471 . 1 1 45 45 VAL HG21 H 1 0.855 0.013 . 1 . . . A 45 VAL HG21 . 18096 1 472 . 1 1 45 45 VAL HG22 H 1 0.855 0.013 . 1 . . . A 45 VAL HG22 . 18096 1 473 . 1 1 45 45 VAL HG23 H 1 0.855 0.013 . 1 . . . A 45 VAL HG23 . 18096 1 474 . 1 1 45 45 VAL C C 13 177.247 0.200 . 1 . . . A 45 VAL C . 18096 1 475 . 1 1 45 45 VAL CA C 13 66.938 0.200 . 1 . . . A 45 VAL CA . 18096 1 476 . 1 1 45 45 VAL CB C 13 31.760 0.200 . 1 . . . A 45 VAL CB . 18096 1 477 . 1 1 45 45 VAL CG1 C 13 23.401 0.200 . 2 . . . A 45 VAL CG1 . 18096 1 478 . 1 1 45 45 VAL CG2 C 13 21.508 0.200 . 2 . . . A 45 VAL CG2 . 18096 1 479 . 1 1 45 45 VAL N N 15 120.333 0.211 . 1 . . . A 45 VAL N . 18096 1 480 . 1 1 46 46 LEU H H 1 7.959 0.007 . 1 . . . A 46 LEU H . 18096 1 481 . 1 1 46 46 LEU HA H 1 3.948 0.004 . 1 . . . A 46 LEU HA . 18096 1 482 . 1 1 46 46 LEU HB2 H 1 1.812 0.015 . 2 . . . A 46 LEU HB2 . 18096 1 483 . 1 1 46 46 LEU HG H 1 1.745 0.015 . 1 . . . A 46 LEU HG . 18096 1 484 . 1 1 46 46 LEU HD11 H 1 0.822 0.015 . 1 . . . A 46 LEU HD11 . 18096 1 485 . 1 1 46 46 LEU HD12 H 1 0.822 0.015 . 1 . . . A 46 LEU HD12 . 18096 1 486 . 1 1 46 46 LEU HD13 H 1 0.822 0.015 . 1 . . . A 46 LEU HD13 . 18096 1 487 . 1 1 46 46 LEU C C 13 180.032 0.200 . 1 . . . A 46 LEU C . 18096 1 488 . 1 1 46 46 LEU CA C 13 58.526 0.200 . 1 . . . A 46 LEU CA . 18096 1 489 . 1 1 46 46 LEU CB C 13 41.985 0.200 . 1 . . . A 46 LEU CB . 18096 1 490 . 1 1 46 46 LEU CG C 13 26.934 0.200 . 1 . . . A 46 LEU CG . 18096 1 491 . 1 1 46 46 LEU CD1 C 13 25.089 0.200 . 2 . . . A 46 LEU CD1 . 18096 1 492 . 1 1 46 46 LEU N N 15 119.430 0.015 . 1 . . . A 46 LEU N . 18096 1 493 . 1 1 47 47 LEU H H 1 8.695 0.006 . 1 . . . A 47 LEU H . 18096 1 494 . 1 1 47 47 LEU HA H 1 3.998 0.004 . 1 . . . A 47 LEU HA . 18096 1 495 . 1 1 47 47 LEU HB2 H 1 1.765 0.010 . 2 . . . A 47 LEU HB2 . 18096 1 496 . 1 1 47 47 LEU HG H 1 1.781 0.015 . 1 . . . A 47 LEU HG . 18096 1 497 . 1 1 47 47 LEU HD11 H 1 0.811 0.015 . 1 . . . A 47 LEU HD11 . 18096 1 498 . 1 1 47 47 LEU HD12 H 1 0.811 0.015 . 1 . . . A 47 LEU HD12 . 18096 1 499 . 1 1 47 47 LEU HD13 H 1 0.811 0.015 . 1 . . . A 47 LEU HD13 . 18096 1 500 . 1 1 47 47 LEU C C 13 177.985 0.200 . 1 . . . A 47 LEU C . 18096 1 501 . 1 1 47 47 LEU CA C 13 58.439 0.200 . 1 . . . A 47 LEU CA . 18096 1 502 . 1 1 47 47 LEU CB C 13 42.046 0.200 . 1 . . . A 47 LEU CB . 18096 1 503 . 1 1 47 47 LEU CG C 13 26.899 0.200 . 1 . . . A 47 LEU CG . 18096 1 504 . 1 1 47 47 LEU CD1 C 13 25.181 0.200 . 2 . . . A 47 LEU CD1 . 18096 1 505 . 1 1 47 47 LEU N N 15 121.110 0.047 . 1 . . . A 47 LEU N . 18096 1 506 . 1 1 48 48 ALA H H 1 8.272 0.011 . 1 . . . A 48 ALA H . 18096 1 507 . 1 1 48 48 ALA HA H 1 3.845 0.008 . 1 . . . A 48 ALA HA . 18096 1 508 . 1 1 48 48 ALA HB1 H 1 1.407 0.017 . 1 . . . A 48 ALA HB1 . 18096 1 509 . 1 1 48 48 ALA HB2 H 1 1.407 0.017 . 1 . . . A 48 ALA HB2 . 18096 1 510 . 1 1 48 48 ALA HB3 H 1 1.407 0.017 . 1 . . . A 48 ALA HB3 . 18096 1 511 . 1 1 48 48 ALA C C 13 178.834 0.200 . 1 . . . A 48 ALA C . 18096 1 512 . 1 1 48 48 ALA CA C 13 55.709 0.200 . 1 . . . A 48 ALA CA . 18096 1 513 . 1 1 48 48 ALA CB C 13 18.133 0.064 . 1 . . . A 48 ALA CB . 18096 1 514 . 1 1 48 48 ALA N N 15 121.251 0.103 . 1 . . . A 48 ALA N . 18096 1 515 . 1 1 49 49 LEU H H 1 8.526 0.006 . 1 . . . A 49 LEU H . 18096 1 516 . 1 1 49 49 LEU HA H 1 3.997 0.014 . 1 . . . A 49 LEU HA . 18096 1 517 . 1 1 49 49 LEU HB2 H 1 1.788 0.016 . 2 . . . A 49 LEU HB2 . 18096 1 518 . 1 1 49 49 LEU HB3 H 1 1.623 0.006 . 2 . . . A 49 LEU HB3 . 18096 1 519 . 1 1 49 49 LEU HG H 1 1.791 0.003 . 1 . . . A 49 LEU HG . 18096 1 520 . 1 1 49 49 LEU HD11 H 1 0.778 0.014 . 1 . . . A 49 LEU HD11 . 18096 1 521 . 1 1 49 49 LEU HD12 H 1 0.778 0.014 . 1 . . . A 49 LEU HD12 . 18096 1 522 . 1 1 49 49 LEU HD13 H 1 0.778 0.014 . 1 . . . A 49 LEU HD13 . 18096 1 523 . 1 1 49 49 LEU C C 13 178.068 0.200 . 1 . . . A 49 LEU C . 18096 1 524 . 1 1 49 49 LEU CA C 13 58.308 0.200 . 1 . . . A 49 LEU CA . 18096 1 525 . 1 1 49 49 LEU CB C 13 41.946 0.004 . 1 . . . A 49 LEU CB . 18096 1 526 . 1 1 49 49 LEU CG C 13 26.993 0.090 . 1 . . . A 49 LEU CG . 18096 1 527 . 1 1 49 49 LEU CD1 C 13 24.389 0.103 . 2 . . . A 49 LEU CD1 . 18096 1 528 . 1 1 49 49 LEU N N 15 116.290 0.099 . 1 . . . A 49 LEU N . 18096 1 529 . 1 1 50 50 THR H H 1 7.996 0.005 . 1 . . . A 50 THR H . 18096 1 530 . 1 1 50 50 THR HA H 1 3.692 0.006 . 1 . . . A 50 THR HA . 18096 1 531 . 1 1 50 50 THR HG21 H 1 1.182 0.002 . 1 . . . A 50 THR HG21 . 18096 1 532 . 1 1 50 50 THR HG22 H 1 1.182 0.002 . 1 . . . A 50 THR HG22 . 18096 1 533 . 1 1 50 50 THR HG23 H 1 1.182 0.002 . 1 . . . A 50 THR HG23 . 18096 1 534 . 1 1 50 50 THR C C 13 176.061 0.200 . 1 . . . A 50 THR C . 18096 1 535 . 1 1 50 50 THR CA C 13 68.786 0.200 . 1 . . . A 50 THR CA . 18096 1 536 . 1 1 50 50 THR CG2 C 13 21.999 0.200 . 1 . . . A 50 THR CG2 . 18096 1 537 . 1 1 50 50 THR N N 15 115.495 0.200 . 1 . . . A 50 THR N . 18096 1 538 . 1 1 51 51 VAL H H 1 8.145 0.005 . 1 . . . A 51 VAL H . 18096 1 539 . 1 1 51 51 VAL HA H 1 3.496 0.005 . 1 . . . A 51 VAL HA . 18096 1 540 . 1 1 51 51 VAL HB H 1 2.155 0.015 . 1 . . . A 51 VAL HB . 18096 1 541 . 1 1 51 51 VAL HG11 H 1 1.016 0.015 . 1 . . . A 51 VAL HG11 . 18096 1 542 . 1 1 51 51 VAL HG12 H 1 1.016 0.015 . 1 . . . A 51 VAL HG12 . 18096 1 543 . 1 1 51 51 VAL HG13 H 1 1.016 0.015 . 1 . . . A 51 VAL HG13 . 18096 1 544 . 1 1 51 51 VAL HG21 H 1 0.845 0.015 . 1 . . . A 51 VAL HG21 . 18096 1 545 . 1 1 51 51 VAL HG22 H 1 0.845 0.015 . 1 . . . A 51 VAL HG22 . 18096 1 546 . 1 1 51 51 VAL HG23 H 1 0.845 0.015 . 1 . . . A 51 VAL HG23 . 18096 1 547 . 1 1 51 51 VAL C C 13 177.063 0.200 . 1 . . . A 51 VAL C . 18096 1 548 . 1 1 51 51 VAL CA C 13 67.363 0.200 . 1 . . . A 51 VAL CA . 18096 1 549 . 1 1 51 51 VAL CB C 13 31.618 0.200 . 1 . . . A 51 VAL CB . 18096 1 550 . 1 1 51 51 VAL CG1 C 13 23.392 0.200 . 2 . . . A 51 VAL CG1 . 18096 1 551 . 1 1 51 51 VAL CG2 C 13 21.639 0.200 . 2 . . . A 51 VAL CG2 . 18096 1 552 . 1 1 51 51 VAL N N 15 119.977 0.300 . 1 . . . A 51 VAL N . 18096 1 553 . 1 1 52 52 PHE H H 1 8.354 0.011 . 1 . . . A 52 PHE H . 18096 1 554 . 1 1 52 52 PHE HA H 1 4.102 0.004 . 1 . . . A 52 PHE HA . 18096 1 555 . 1 1 52 52 PHE HB2 H 1 3.240 0.021 . 2 . . . A 52 PHE HB2 . 18096 1 556 . 1 1 52 52 PHE HD1 H 1 7.033 0.023 . 3 . . . A 52 PHE HD1 . 18096 1 557 . 1 1 52 52 PHE C C 13 176.721 0.200 . 1 . . . A 52 PHE C . 18096 1 558 . 1 1 52 52 PHE CA C 13 61.639 0.026 . 1 . . . A 52 PHE CA . 18096 1 559 . 1 1 52 52 PHE CB C 13 39.329 0.200 . 1 . . . A 52 PHE CB . 18096 1 560 . 1 1 52 52 PHE CD1 C 13 130.882 0.200 . 3 . . . A 52 PHE CD1 . 18096 1 561 . 1 1 52 52 PHE N N 15 118.836 0.030 . 1 . . . A 52 PHE N . 18096 1 562 . 1 1 53 53 LEU H H 1 8.438 0.016 . 1 . . . A 53 LEU H . 18096 1 563 . 1 1 53 53 LEU HA H 1 3.872 0.018 . 1 . . . A 53 LEU HA . 18096 1 564 . 1 1 53 53 LEU HB2 H 1 1.907 0.015 . 2 . . . A 53 LEU HB2 . 18096 1 565 . 1 1 53 53 LEU HB3 H 1 1.650 0.015 . 2 . . . A 53 LEU HB3 . 18096 1 566 . 1 1 53 53 LEU HG H 1 1.978 0.015 . 1 . . . A 53 LEU HG . 18096 1 567 . 1 1 53 53 LEU HD11 H 1 0.832 0.001 . 1 . . . A 53 LEU HD11 . 18096 1 568 . 1 1 53 53 LEU HD12 H 1 0.832 0.001 . 1 . . . A 53 LEU HD12 . 18096 1 569 . 1 1 53 53 LEU HD13 H 1 0.832 0.001 . 1 . . . A 53 LEU HD13 . 18096 1 570 . 1 1 53 53 LEU C C 13 179.184 0.200 . 1 . . . A 53 LEU C . 18096 1 571 . 1 1 53 53 LEU CA C 13 57.857 0.089 . 1 . . . A 53 LEU CA . 18096 1 572 . 1 1 53 53 LEU CB C 13 41.995 0.052 . 1 . . . A 53 LEU CB . 18096 1 573 . 1 1 53 53 LEU CG C 13 27.057 0.200 . 1 . . . A 53 LEU CG . 18096 1 574 . 1 1 53 53 LEU CD1 C 13 25.005 0.200 . 2 . . . A 53 LEU CD1 . 18096 1 575 . 1 1 53 53 LEU N N 15 117.271 0.086 . 1 . . . A 53 LEU N . 18096 1 576 . 1 1 54 54 LEU H H 1 8.147 0.010 . 1 . . . A 54 LEU H . 18096 1 577 . 1 1 54 54 LEU HA H 1 4.007 0.015 . 1 . . . A 54 LEU HA . 18096 1 578 . 1 1 54 54 LEU HB2 H 1 1.852 0.015 . 2 . . . A 54 LEU HB2 . 18096 1 579 . 1 1 54 54 LEU HG H 1 1.800 0.015 . 1 . . . A 54 LEU HG . 18096 1 580 . 1 1 54 54 LEU HD11 H 1 0.800 0.015 . 1 . . . A 54 LEU HD11 . 18096 1 581 . 1 1 54 54 LEU HD12 H 1 0.800 0.015 . 1 . . . A 54 LEU HD12 . 18096 1 582 . 1 1 54 54 LEU HD13 H 1 0.800 0.015 . 1 . . . A 54 LEU HD13 . 18096 1 583 . 1 1 54 54 LEU C C 13 179.224 0.200 . 1 . . . A 54 LEU C . 18096 1 584 . 1 1 54 54 LEU CA C 13 58.088 0.200 . 1 . . . A 54 LEU CA . 18096 1 585 . 1 1 54 54 LEU CB C 13 42.029 0.200 . 1 . . . A 54 LEU CB . 18096 1 586 . 1 1 54 54 LEU CG C 13 26.974 0.200 . 1 . . . A 54 LEU CG . 18096 1 587 . 1 1 54 54 LEU CD1 C 13 24.909 0.200 . 2 . . . A 54 LEU CD1 . 18096 1 588 . 1 1 54 54 LEU N N 15 119.310 0.154 . 1 . . . A 54 LEU N . 18096 1 589 . 1 1 55 55 LEU H H 1 8.096 0.008 . 1 . . . A 55 LEU H . 18096 1 590 . 1 1 55 55 LEU HA H 1 4.100 0.015 . 1 . . . A 55 LEU HA . 18096 1 591 . 1 1 55 55 LEU HB2 H 1 1.830 0.005 . 2 . . . A 55 LEU HB2 . 18096 1 592 . 1 1 55 55 LEU HB3 H 1 1.555 0.004 . 2 . . . A 55 LEU HB3 . 18096 1 593 . 1 1 55 55 LEU HG H 1 1.817 0.015 . 1 . . . A 55 LEU HG . 18096 1 594 . 1 1 55 55 LEU HD11 H 1 0.812 0.007 . 1 . . . A 55 LEU HD11 . 18096 1 595 . 1 1 55 55 LEU HD12 H 1 0.812 0.007 . 1 . . . A 55 LEU HD12 . 18096 1 596 . 1 1 55 55 LEU HD13 H 1 0.812 0.007 . 1 . . . A 55 LEU HD13 . 18096 1 597 . 1 1 55 55 LEU C C 13 178.974 0.200 . 1 . . . A 55 LEU C . 18096 1 598 . 1 1 55 55 LEU CA C 13 57.861 0.200 . 1 . . . A 55 LEU CA . 18096 1 599 . 1 1 55 55 LEU CB C 13 41.972 0.049 . 1 . . . A 55 LEU CB . 18096 1 600 . 1 1 55 55 LEU CG C 13 27.039 0.200 . 1 . . . A 55 LEU CG . 18096 1 601 . 1 1 55 55 LEU CD1 C 13 24.672 0.200 . 2 . . . A 55 LEU CD1 . 18096 1 602 . 1 1 55 55 LEU N N 15 118.400 0.113 . 1 . . . A 55 LEU N . 18096 1 603 . 1 1 56 56 ILE H H 1 8.028 0.020 . 1 . . . A 56 ILE H . 18096 1 604 . 1 1 56 56 ILE HA H 1 3.856 0.010 . 1 . . . A 56 ILE HA . 18096 1 605 . 1 1 56 56 ILE HB H 1 1.779 0.014 . 1 . . . A 56 ILE HB . 18096 1 606 . 1 1 56 56 ILE HG12 H 1 1.270 0.009 . 2 . . . A 56 ILE HG12 . 18096 1 607 . 1 1 56 56 ILE HG13 H 1 1.060 0.006 . 2 . . . A 56 ILE HG13 . 18096 1 608 . 1 1 56 56 ILE HG21 H 1 0.700 0.004 . 1 . . . A 56 ILE HG21 . 18096 1 609 . 1 1 56 56 ILE HG22 H 1 0.700 0.004 . 1 . . . A 56 ILE HG22 . 18096 1 610 . 1 1 56 56 ILE HG23 H 1 0.700 0.004 . 1 . . . A 56 ILE HG23 . 18096 1 611 . 1 1 56 56 ILE HD11 H 1 0.595 0.021 . 1 . . . A 56 ILE HD11 . 18096 1 612 . 1 1 56 56 ILE HD12 H 1 0.595 0.021 . 1 . . . A 56 ILE HD12 . 18096 1 613 . 1 1 56 56 ILE HD13 H 1 0.595 0.021 . 1 . . . A 56 ILE HD13 . 18096 1 614 . 1 1 56 56 ILE C C 13 176.763 0.200 . 1 . . . A 56 ILE C . 18096 1 615 . 1 1 56 56 ILE CA C 13 63.511 0.200 . 1 . . . A 56 ILE CA . 18096 1 616 . 1 1 56 56 ILE CB C 13 37.689 0.227 . 1 . . . A 56 ILE CB . 18096 1 617 . 1 1 56 56 ILE CG1 C 13 28.619 0.081 . 1 . . . A 56 ILE CG1 . 18096 1 618 . 1 1 56 56 ILE CG2 C 13 18.128 0.102 . 1 . . . A 56 ILE CG2 . 18096 1 619 . 1 1 56 56 ILE CD1 C 13 13.498 0.060 . 1 . . . A 56 ILE CD1 . 18096 1 620 . 1 1 56 56 ILE N N 15 115.919 0.071 . 1 . . . A 56 ILE N . 18096 1 621 . 1 1 57 57 SER H H 1 7.689 0.016 . 1 . . . A 57 SER H . 18096 1 622 . 1 1 57 57 SER HA H 1 4.178 0.015 . 1 . . . A 57 SER HA . 18096 1 623 . 1 1 57 57 SER HB2 H 1 3.883 0.012 . 2 . . . A 57 SER HB2 . 18096 1 624 . 1 1 57 57 SER C C 13 175.258 0.200 . 1 . . . A 57 SER C . 18096 1 625 . 1 1 57 57 SER CA C 13 60.946 0.200 . 1 . . . A 57 SER CA . 18096 1 626 . 1 1 57 57 SER CB C 13 63.558 0.200 . 1 . . . A 57 SER CB . 18096 1 627 . 1 1 57 57 SER N N 15 114.862 0.300 . 1 . . . A 57 SER N . 18096 1 628 . 1 1 58 58 LYS H H 1 7.595 0.012 . 1 . . . A 58 LYS H . 18096 1 629 . 1 1 58 58 LYS HA H 1 4.287 0.015 . 1 . . . A 58 LYS HA . 18096 1 630 . 1 1 58 58 LYS HB2 H 1 1.897 0.010 . 2 . . . A 58 LYS HB2 . 18096 1 631 . 1 1 58 58 LYS HG2 H 1 1.412 0.001 . 2 . . . A 58 LYS HG2 . 18096 1 632 . 1 1 58 58 LYS HD2 H 1 1.632 0.001 . 2 . . . A 58 LYS HD2 . 18096 1 633 . 1 1 58 58 LYS HD3 H 1 1.632 0.001 . 2 . . . A 58 LYS HD3 . 18096 1 634 . 1 1 58 58 LYS HE2 H 1 2.861 0.015 . 2 . . . A 58 LYS HE2 . 18096 1 635 . 1 1 58 58 LYS HE3 H 1 2.861 0.015 . 2 . . . A 58 LYS HE3 . 18096 1 636 . 1 1 58 58 LYS C C 13 176.668 0.200 . 1 . . . A 58 LYS C . 18096 1 637 . 1 1 58 58 LYS CA C 13 56.107 0.200 . 1 . . . A 58 LYS CA . 18096 1 638 . 1 1 58 58 LYS CB C 13 32.064 0.200 . 1 . . . A 58 LYS CB . 18096 1 639 . 1 1 58 58 LYS CG C 13 24.877 0.014 . 1 . . . A 58 LYS CG . 18096 1 640 . 1 1 58 58 LYS CD C 13 28.678 0.200 . 1 . . . A 58 LYS CD . 18096 1 641 . 1 1 58 58 LYS CE C 13 41.998 0.200 . 1 . . . A 58 LYS CE . 18096 1 642 . 1 1 58 58 LYS N N 15 118.080 0.115 . 1 . . . A 58 LYS N . 18096 1 643 . 1 1 59 59 ILE H H 1 7.706 0.013 . 1 . . . A 59 ILE H . 18096 1 644 . 1 1 59 59 ILE HA H 1 4.034 0.008 . 1 . . . A 59 ILE HA . 18096 1 645 . 1 1 59 59 ILE HB H 1 1.885 0.006 . 1 . . . A 59 ILE HB . 18096 1 646 . 1 1 59 59 ILE HG12 H 1 1.597 0.015 . 2 . . . A 59 ILE HG12 . 18096 1 647 . 1 1 59 59 ILE HG13 H 1 1.244 0.001 . 2 . . . A 59 ILE HG13 . 18096 1 648 . 1 1 59 59 ILE HG21 H 1 0.876 0.015 . 1 . . . A 59 ILE HG21 . 18096 1 649 . 1 1 59 59 ILE HG22 H 1 0.876 0.015 . 1 . . . A 59 ILE HG22 . 18096 1 650 . 1 1 59 59 ILE HG23 H 1 0.876 0.015 . 1 . . . A 59 ILE HG23 . 18096 1 651 . 1 1 59 59 ILE HD11 H 1 0.777 0.015 . 1 . . . A 59 ILE HD11 . 18096 1 652 . 1 1 59 59 ILE HD12 H 1 0.777 0.015 . 1 . . . A 59 ILE HD12 . 18096 1 653 . 1 1 59 59 ILE HD13 H 1 0.777 0.015 . 1 . . . A 59 ILE HD13 . 18096 1 654 . 1 1 59 59 ILE C C 13 175.226 0.200 . 1 . . . A 59 ILE C . 18096 1 655 . 1 1 59 59 ILE CA C 13 62.384 0.200 . 1 . . . A 59 ILE CA . 18096 1 656 . 1 1 59 59 ILE CB C 13 38.073 0.200 . 1 . . . A 59 ILE CB . 18096 1 657 . 1 1 59 59 ILE CG1 C 13 28.590 0.062 . 1 . . . A 59 ILE CG1 . 18096 1 658 . 1 1 59 59 ILE CG2 C 13 17.965 0.200 . 1 . . . A 59 ILE CG2 . 18096 1 659 . 1 1 59 59 ILE CD1 C 13 13.574 0.200 . 1 . . . A 59 ILE CD1 . 18096 1 660 . 1 1 59 59 ILE N N 15 116.926 0.078 . 1 . . . A 59 ILE N . 18096 1 661 . 1 1 60 60 VAL H H 1 7.586 0.013 . 1 . . . A 60 VAL H . 18096 1 662 . 1 1 60 60 VAL HA H 1 4.326 0.015 . 1 . . . A 60 VAL HA . 18096 1 663 . 1 1 60 60 VAL HB H 1 1.969 0.006 . 1 . . . A 60 VAL HB . 18096 1 664 . 1 1 60 60 VAL HG11 H 1 0.902 0.015 . 1 . . . A 60 VAL HG11 . 18096 1 665 . 1 1 60 60 VAL HG12 H 1 0.902 0.015 . 1 . . . A 60 VAL HG12 . 18096 1 666 . 1 1 60 60 VAL HG13 H 1 0.902 0.015 . 1 . . . A 60 VAL HG13 . 18096 1 667 . 1 1 60 60 VAL HG21 H 1 0.873 0.011 . 1 . . . A 60 VAL HG21 . 18096 1 668 . 1 1 60 60 VAL HG22 H 1 0.873 0.011 . 1 . . . A 60 VAL HG22 . 18096 1 669 . 1 1 60 60 VAL HG23 H 1 0.873 0.011 . 1 . . . A 60 VAL HG23 . 18096 1 670 . 1 1 60 60 VAL CA C 13 59.747 0.200 . 1 . . . A 60 VAL CA . 18096 1 671 . 1 1 60 60 VAL CB C 13 32.266 0.200 . 1 . . . A 60 VAL CB . 18096 1 672 . 1 1 60 60 VAL CG1 C 13 21.762 0.200 . 2 . . . A 60 VAL CG1 . 18096 1 673 . 1 1 60 60 VAL CG2 C 13 20.982 0.200 . 2 . . . A 60 VAL CG2 . 18096 1 674 . 1 1 60 60 VAL N N 15 119.235 0.077 . 1 . . . A 60 VAL N . 18096 1 675 . 1 1 61 61 PRO HA H 1 4.644 0.007 . 1 . . . A 61 PRO HA . 18096 1 676 . 1 1 61 61 PRO HB2 H 1 2.306 0.006 . 2 . . . A 61 PRO HB2 . 18096 1 677 . 1 1 61 61 PRO HB3 H 1 1.894 0.008 . 2 . . . A 61 PRO HB3 . 18096 1 678 . 1 1 61 61 PRO HG2 H 1 1.999 0.015 . 2 . . . A 61 PRO HG2 . 18096 1 679 . 1 1 61 61 PRO HG3 H 1 2.014 0.015 . 2 . . . A 61 PRO HG3 . 18096 1 680 . 1 1 61 61 PRO HD2 H 1 3.743 0.015 . 2 . . . A 61 PRO HD2 . 18096 1 681 . 1 1 61 61 PRO HD3 H 1 3.564 0.020 . 2 . . . A 61 PRO HD3 . 18096 1 682 . 1 1 61 61 PRO CA C 13 61.521 0.117 . 1 . . . A 61 PRO CA . 18096 1 683 . 1 1 61 61 PRO CB C 13 31.136 0.083 . 1 . . . A 61 PRO CB . 18096 1 684 . 1 1 61 61 PRO CG C 13 28.012 0.200 . 1 . . . A 61 PRO CG . 18096 1 685 . 1 1 61 61 PRO CD C 13 50.401 0.002 . 1 . . . A 61 PRO CD . 18096 1 686 . 1 1 62 62 PRO HA H 1 4.491 0.015 . 1 . . . A 62 PRO HA . 18096 1 687 . 1 1 62 62 PRO HB2 H 1 2.235 0.010 . 2 . . . A 62 PRO HB2 . 18096 1 688 . 1 1 62 62 PRO HB3 H 1 1.792 0.015 . 2 . . . A 62 PRO HB3 . 18096 1 689 . 1 1 62 62 PRO HG2 H 1 1.944 0.029 . 2 . . . A 62 PRO HG2 . 18096 1 690 . 1 1 62 62 PRO HD2 H 1 3.795 0.016 . 2 . . . A 62 PRO HD2 . 18096 1 691 . 1 1 62 62 PRO HD3 H 1 3.654 0.006 . 2 . . . A 62 PRO HD3 . 18096 1 692 . 1 1 62 62 PRO C C 13 176.912 0.200 . 1 . . . A 62 PRO C . 18096 1 693 . 1 1 62 62 PRO CA C 13 63.243 0.200 . 1 . . . A 62 PRO CA . 18096 1 694 . 1 1 62 62 PRO CB C 13 31.878 0.099 . 1 . . . A 62 PRO CB . 18096 1 695 . 1 1 62 62 PRO CG C 13 27.464 0.200 . 1 . . . A 62 PRO CG . 18096 1 696 . 1 1 62 62 PRO CD C 13 50.443 0.015 . 1 . . . A 62 PRO CD . 18096 1 697 . 1 1 63 63 THR H H 1 7.915 0.014 . 1 . . . A 63 THR H . 18096 1 698 . 1 1 63 63 THR HA H 1 4.447 0.025 . 1 . . . A 63 THR HA . 18096 1 699 . 1 1 63 63 THR HB H 1 4.295 0.013 . 1 . . . A 63 THR HB . 18096 1 700 . 1 1 63 63 THR HG21 H 1 1.188 0.009 . 1 . . . A 63 THR HG21 . 18096 1 701 . 1 1 63 63 THR HG22 H 1 1.188 0.009 . 1 . . . A 63 THR HG22 . 18096 1 702 . 1 1 63 63 THR HG23 H 1 1.188 0.009 . 1 . . . A 63 THR HG23 . 18096 1 703 . 1 1 63 63 THR C C 13 174.725 0.200 . 1 . . . A 63 THR C . 18096 1 704 . 1 1 63 63 THR CA C 13 61.245 0.200 . 1 . . . A 63 THR CA . 18096 1 705 . 1 1 63 63 THR CB C 13 69.807 0.153 . 1 . . . A 63 THR CB . 18096 1 706 . 1 1 63 63 THR CG2 C 13 21.698 0.025 . 1 . . . A 63 THR CG2 . 18096 1 707 . 1 1 63 63 THR N N 15 111.607 0.137 . 1 . . . A 63 THR N . 18096 1 708 . 1 1 64 64 SER H H 1 8.127 0.005 . 1 . . . A 64 SER H . 18096 1 709 . 1 1 64 64 SER HA H 1 4.411 0.015 . 1 . . . A 64 SER HA . 18096 1 710 . 1 1 64 64 SER HB2 H 1 3.858 0.015 . 2 . . . A 64 SER HB2 . 18096 1 711 . 1 1 64 64 SER C C 13 174.580 0.200 . 1 . . . A 64 SER C . 18096 1 712 . 1 1 64 64 SER CA C 13 58.608 0.200 . 1 . . . A 64 SER CA . 18096 1 713 . 1 1 64 64 SER CB C 13 63.742 0.200 . 1 . . . A 64 SER CB . 18096 1 714 . 1 1 64 64 SER N N 15 116.516 0.099 . 1 . . . A 64 SER N . 18096 1 715 . 1 1 65 65 SER H H 1 8.169 0.015 . 1 . . . A 65 SER H . 18096 1 716 . 1 1 65 65 SER HA H 1 4.453 0.005 . 1 . . . A 65 SER HA . 18096 1 717 . 1 1 65 65 SER HB2 H 1 3.865 0.022 . 2 . . . A 65 SER HB2 . 18096 1 718 . 1 1 65 65 SER C C 13 174.100 0.200 . 1 . . . A 65 SER C . 18096 1 719 . 1 1 65 65 SER CA C 13 58.584 0.200 . 1 . . . A 65 SER CA . 18096 1 720 . 1 1 65 65 SER CB C 13 63.668 0.200 . 1 . . . A 65 SER CB . 18096 1 721 . 1 1 65 65 SER N N 15 116.921 0.025 . 1 . . . A 65 SER N . 18096 1 722 . 1 1 66 66 ASP H H 1 8.154 0.025 . 1 . . . A 66 ASP H . 18096 1 723 . 1 1 66 66 ASP HA H 1 4.624 0.005 . 1 . . . A 66 ASP HA . 18096 1 724 . 1 1 66 66 ASP HB2 H 1 2.654 0.006 . 2 . . . A 66 ASP HB2 . 18096 1 725 . 1 1 66 66 ASP HB3 H 1 2.617 0.015 . 2 . . . A 66 ASP HB3 . 18096 1 726 . 1 1 66 66 ASP C C 13 175.730 0.200 . 1 . . . A 66 ASP C . 18096 1 727 . 1 1 66 66 ASP CA C 13 54.245 0.060 . 1 . . . A 66 ASP CA . 18096 1 728 . 1 1 66 66 ASP CB C 13 41.195 0.001 . 1 . . . A 66 ASP CB . 18096 1 729 . 1 1 66 66 ASP N N 15 120.478 0.059 . 1 . . . A 66 ASP N . 18096 1 730 . 1 1 67 67 SER H H 1 7.930 0.005 . 1 . . . A 67 SER H . 18096 1 731 . 1 1 67 67 SER HA H 1 4.528 0.006 . 1 . . . A 67 SER HA . 18096 1 732 . 1 1 67 67 SER HB2 H 1 3.834 0.015 . 2 . . . A 67 SER HB2 . 18096 1 733 . 1 1 67 67 SER CA C 13 56.493 0.200 . 1 . . . A 67 SER CA . 18096 1 734 . 1 1 67 67 SER CB C 13 63.604 0.200 . 1 . . . A 67 SER CB . 18096 1 735 . 1 1 67 67 SER N N 15 115.159 0.097 . 1 . . . A 67 SER N . 18096 1 736 . 1 1 68 68 PRO HA H 1 4.395 0.015 . 1 . . . A 68 PRO HA . 18096 1 737 . 1 1 68 68 PRO HB2 H 1 2.069 0.006 . 2 . . . A 68 PRO HB2 . 18096 1 738 . 1 1 68 68 PRO HB3 H 1 1.782 0.010 . 2 . . . A 68 PRO HB3 . 18096 1 739 . 1 1 68 68 PRO HD2 H 1 3.773 0.015 . 2 . . . A 68 PRO HD2 . 18096 1 740 . 1 1 68 68 PRO HD3 H 1 3.722 0.015 . 2 . . . A 68 PRO HD3 . 18096 1 741 . 1 1 68 68 PRO C C 13 176.652 0.200 . 1 . . . A 68 PRO C . 18096 1 742 . 1 1 68 68 PRO CA C 13 63.593 0.200 . 1 . . . A 68 PRO CA . 18096 1 743 . 1 1 68 68 PRO CB C 13 31.352 0.009 . 1 . . . A 68 PRO CB . 18096 1 744 . 1 1 68 68 PRO CD C 13 50.367 0.007 . 1 . . . A 68 PRO CD . 18096 1 745 . 1 1 69 69 SER H H 1 8.256 0.004 . 1 . . . A 69 SER H . 18096 1 746 . 1 1 69 69 SER HA H 1 4.436 0.015 . 1 . . . A 69 SER HA . 18096 1 747 . 1 1 69 69 SER HB2 H 1 3.896 0.012 . 2 . . . A 69 SER HB2 . 18096 1 748 . 1 1 69 69 SER C C 13 174.611 0.200 . 1 . . . A 69 SER C . 18096 1 749 . 1 1 69 69 SER CA C 13 58.264 0.200 . 1 . . . A 69 SER CA . 18096 1 750 . 1 1 69 69 SER CB C 13 63.919 0.200 . 1 . . . A 69 SER CB . 18096 1 751 . 1 1 69 69 SER N N 15 115.859 0.095 . 1 . . . A 69 SER N . 18096 1 752 . 1 1 70 70 VAL H H 1 8.211 0.006 . 1 . . . A 70 VAL H . 18096 1 753 . 1 1 70 70 VAL HA H 1 3.802 0.015 . 1 . . . A 70 VAL HA . 18096 1 754 . 1 1 70 70 VAL HB H 1 2.071 0.012 . 1 . . . A 70 VAL HB . 18096 1 755 . 1 1 70 70 VAL HG11 H 1 0.970 0.003 . 1 . . . A 70 VAL HG11 . 18096 1 756 . 1 1 70 70 VAL HG12 H 1 0.970 0.003 . 1 . . . A 70 VAL HG12 . 18096 1 757 . 1 1 70 70 VAL HG13 H 1 0.970 0.003 . 1 . . . A 70 VAL HG13 . 18096 1 758 . 1 1 70 70 VAL HG21 H 1 0.887 0.001 . 1 . . . A 70 VAL HG21 . 18096 1 759 . 1 1 70 70 VAL HG22 H 1 0.887 0.001 . 1 . . . A 70 VAL HG22 . 18096 1 760 . 1 1 70 70 VAL HG23 H 1 0.887 0.001 . 1 . . . A 70 VAL HG23 . 18096 1 761 . 1 1 70 70 VAL C C 13 177.772 0.200 . 1 . . . A 70 VAL C . 18096 1 762 . 1 1 70 70 VAL CA C 13 66.644 0.200 . 1 . . . A 70 VAL CA . 18096 1 763 . 1 1 70 70 VAL CB C 13 31.896 0.200 . 1 . . . A 70 VAL CB . 18096 1 764 . 1 1 70 70 VAL CG1 C 13 23.304 0.200 . 2 . . . A 70 VAL CG1 . 18096 1 765 . 1 1 70 70 VAL CG2 C 13 21.543 0.200 . 2 . . . A 70 VAL CG2 . 18096 1 766 . 1 1 70 70 VAL N N 15 117.241 0.025 . 1 . . . A 70 VAL N . 18096 1 767 . 1 1 71 71 GLY H H 1 8.566 0.013 . 1 . . . A 71 GLY H . 18096 1 768 . 1 1 71 71 GLY HA2 H 1 3.921 0.027 . 2 . . . A 71 GLY HA2 . 18096 1 769 . 1 1 71 71 GLY HA3 H 1 3.694 0.005 . 2 . . . A 71 GLY HA3 . 18096 1 770 . 1 1 71 71 GLY C C 13 175.551 0.200 . 1 . . . A 71 GLY C . 18096 1 771 . 1 1 71 71 GLY CA C 13 47.245 0.017 . 1 . . . A 71 GLY CA . 18096 1 772 . 1 1 71 71 GLY N N 15 106.999 0.052 . 1 . . . A 71 GLY N . 18096 1 773 . 1 1 72 72 GLU H H 1 7.919 0.008 . 1 . . . A 72 GLU H . 18096 1 774 . 1 1 72 72 GLU HA H 1 3.889 0.024 . 1 . . . A 72 GLU HA . 18096 1 775 . 1 1 72 72 GLU HB2 H 1 2.124 0.005 . 2 . . . A 72 GLU HB2 . 18096 1 776 . 1 1 72 72 GLU HB3 H 1 1.840 0.017 . 2 . . . A 72 GLU HB3 . 18096 1 777 . 1 1 72 72 GLU HG2 H 1 2.231 0.012 . 2 . . . A 72 GLU HG2 . 18096 1 778 . 1 1 72 72 GLU C C 13 178.495 0.200 . 1 . . . A 72 GLU C . 18096 1 779 . 1 1 72 72 GLU CA C 13 60.118 0.200 . 1 . . . A 72 GLU CA . 18096 1 780 . 1 1 72 72 GLU CB C 13 29.590 0.017 . 1 . . . A 72 GLU CB . 18096 1 781 . 1 1 72 72 GLU CG C 13 36.498 0.200 . 1 . . . A 72 GLU CG . 18096 1 782 . 1 1 72 72 GLU N N 15 121.376 0.033 . 1 . . . A 72 GLU N . 18096 1 783 . 1 1 73 73 TYR H H 1 8.095 0.010 . 1 . . . A 73 TYR H . 18096 1 784 . 1 1 73 73 TYR HA H 1 4.062 0.015 . 1 . . . A 73 TYR HA . 18096 1 785 . 1 1 73 73 TYR HB2 H 1 3.173 0.009 . 2 . . . A 73 TYR HB2 . 18096 1 786 . 1 1 73 73 TYR HD1 H 1 6.992 0.015 . 3 . . . A 73 TYR HD1 . 18096 1 787 . 1 1 73 73 TYR HE1 H 1 6.659 0.020 . 3 . . . A 73 TYR HE1 . 18096 1 788 . 1 1 73 73 TYR C C 13 179.921 0.200 . 1 . . . A 73 TYR C . 18096 1 789 . 1 1 73 73 TYR CA C 13 62.130 0.200 . 1 . . . A 73 TYR CA . 18096 1 790 . 1 1 73 73 TYR CB C 13 38.917 0.200 . 1 . . . A 73 TYR CB . 18096 1 791 . 1 1 73 73 TYR CD1 C 13 132.563 0.200 . 3 . . . A 73 TYR CD1 . 18096 1 792 . 1 1 73 73 TYR CE1 C 13 118.113 0.183 . 3 . . . A 73 TYR CE1 . 18096 1 793 . 1 1 73 73 TYR N N 15 117.643 0.079 . 1 . . . A 73 TYR N . 18096 1 794 . 1 1 74 74 LEU H H 1 8.615 0.010 . 1 . . . A 74 LEU H . 18096 1 795 . 1 1 74 74 LEU HA H 1 4.063 0.020 . 1 . . . A 74 LEU HA . 18096 1 796 . 1 1 74 74 LEU HB2 H 1 1.830 0.005 . 2 . . . A 74 LEU HB2 . 18096 1 797 . 1 1 74 74 LEU HB3 H 1 1.682 0.001 . 2 . . . A 74 LEU HB3 . 18096 1 798 . 1 1 74 74 LEU HG H 1 1.810 0.015 . 1 . . . A 74 LEU HG . 18096 1 799 . 1 1 74 74 LEU HD11 H 1 0.887 0.002 . 1 . . . A 74 LEU HD11 . 18096 1 800 . 1 1 74 74 LEU HD12 H 1 0.887 0.002 . 1 . . . A 74 LEU HD12 . 18096 1 801 . 1 1 74 74 LEU HD13 H 1 0.887 0.002 . 1 . . . A 74 LEU HD13 . 18096 1 802 . 1 1 74 74 LEU C C 13 178.385 0.200 . 1 . . . A 74 LEU C . 18096 1 803 . 1 1 74 74 LEU CA C 13 58.474 0.200 . 1 . . . A 74 LEU CA . 18096 1 804 . 1 1 74 74 LEU CB C 13 41.938 0.083 . 1 . . . A 74 LEU CB . 18096 1 805 . 1 1 74 74 LEU CG C 13 27.004 0.200 . 1 . . . A 74 LEU CG . 18096 1 806 . 1 1 74 74 LEU CD1 C 13 24.839 0.200 . 2 . . . A 74 LEU CD1 . 18096 1 807 . 1 1 74 74 LEU N N 15 121.712 0.091 . 1 . . . A 74 LEU N . 18096 1 808 . 1 1 75 75 MET H H 1 8.362 0.012 . 1 . . . A 75 MET H . 18096 1 809 . 1 1 75 75 MET HA H 1 4.056 0.006 . 1 . . . A 75 MET HA . 18096 1 810 . 1 1 75 75 MET HB2 H 1 2.178 0.015 . 2 . . . A 75 MET HB2 . 18096 1 811 . 1 1 75 75 MET HB3 H 1 2.012 0.006 . 2 . . . A 75 MET HB3 . 18096 1 812 . 1 1 75 75 MET HG2 H 1 2.558 0.011 . 2 . . . A 75 MET HG2 . 18096 1 813 . 1 1 75 75 MET HG3 H 1 2.559 0.015 . 2 . . . A 75 MET HG3 . 18096 1 814 . 1 1 75 75 MET HE1 H 1 1.893 0.015 . 1 . . . A 75 MET HE1 . 18096 1 815 . 1 1 75 75 MET HE2 H 1 1.893 0.015 . 1 . . . A 75 MET HE2 . 18096 1 816 . 1 1 75 75 MET HE3 H 1 1.893 0.015 . 1 . . . A 75 MET HE3 . 18096 1 817 . 1 1 75 75 MET C C 13 177.851 0.200 . 1 . . . A 75 MET C . 18096 1 818 . 1 1 75 75 MET CA C 13 59.166 0.200 . 1 . . . A 75 MET CA . 18096 1 819 . 1 1 75 75 MET CB C 13 32.093 0.039 . 1 . . . A 75 MET CB . 18096 1 820 . 1 1 75 75 MET CG C 13 32.587 0.094 . 1 . . . A 75 MET CG . 18096 1 821 . 1 1 75 75 MET CE C 13 17.333 0.040 . 1 . . . A 75 MET CE . 18096 1 822 . 1 1 75 75 MET N N 15 119.087 0.070 . 1 . . . A 75 MET N . 18096 1 823 . 1 1 76 76 PHE H H 1 8.471 0.014 . 1 . . . A 76 PHE H . 18096 1 824 . 1 1 76 76 PHE HA H 1 4.105 0.009 . 1 . . . A 76 PHE HA . 18096 1 825 . 1 1 76 76 PHE HB2 H 1 3.174 0.005 . 2 . . . A 76 PHE HB2 . 18096 1 826 . 1 1 76 76 PHE HD1 H 1 7.030 0.005 . 3 . . . A 76 PHE HD1 . 18096 1 827 . 1 1 76 76 PHE C C 13 177.305 0.200 . 1 . . . A 76 PHE C . 18096 1 828 . 1 1 76 76 PHE CA C 13 61.376 0.200 . 1 . . . A 76 PHE CA . 18096 1 829 . 1 1 76 76 PHE CB C 13 38.961 0.200 . 1 . . . A 76 PHE CB . 18096 1 830 . 1 1 76 76 PHE CD1 C 13 130.809 0.200 . 3 . . . A 76 PHE CD1 . 18096 1 831 . 1 1 76 76 PHE N N 15 117.788 0.078 . 1 . . . A 76 PHE N . 18096 1 832 . 1 1 77 77 THR H H 1 8.179 0.015 . 1 . . . A 77 THR H . 18096 1 833 . 1 1 77 77 THR HA H 1 3.673 0.010 . 1 . . . A 77 THR HA . 18096 1 834 . 1 1 77 77 THR HB H 1 4.156 0.004 . 1 . . . A 77 THR HB . 18096 1 835 . 1 1 77 77 THR HG21 H 1 1.134 0.011 . 1 . . . A 77 THR HG21 . 18096 1 836 . 1 1 77 77 THR HG22 H 1 1.134 0.011 . 1 . . . A 77 THR HG22 . 18096 1 837 . 1 1 77 77 THR HG23 H 1 1.134 0.011 . 1 . . . A 77 THR HG23 . 18096 1 838 . 1 1 77 77 THR C C 13 176.057 0.200 . 1 . . . A 77 THR C . 18096 1 839 . 1 1 77 77 THR CA C 13 68.423 0.200 . 1 . . . A 77 THR CA . 18096 1 840 . 1 1 77 77 THR CB C 13 68.204 0.200 . 1 . . . A 77 THR CB . 18096 1 841 . 1 1 77 77 THR CG2 C 13 21.815 0.200 . 1 . . . A 77 THR CG2 . 18096 1 842 . 1 1 77 77 THR N N 15 115.298 0.016 . 1 . . . A 77 THR N . 18096 1 843 . 1 1 78 78 MET H H 1 8.310 0.010 . 1 . . . A 78 MET H . 18096 1 844 . 1 1 78 78 MET HA H 1 4.092 0.011 . 1 . . . A 78 MET HA . 18096 1 845 . 1 1 78 78 MET HB2 H 1 2.191 0.001 . 2 . . . A 78 MET HB2 . 18096 1 846 . 1 1 78 78 MET HG2 H 1 2.573 0.014 . 2 . . . A 78 MET HG2 . 18096 1 847 . 1 1 78 78 MET HG3 H 1 2.493 0.015 . 2 . . . A 78 MET HG3 . 18096 1 848 . 1 1 78 78 MET HE1 H 1 1.895 0.015 . 1 . . . A 78 MET HE1 . 18096 1 849 . 1 1 78 78 MET HE2 H 1 1.895 0.015 . 1 . . . A 78 MET HE2 . 18096 1 850 . 1 1 78 78 MET HE3 H 1 1.895 0.015 . 1 . . . A 78 MET HE3 . 18096 1 851 . 1 1 78 78 MET C C 13 179.421 0.200 . 1 . . . A 78 MET C . 18096 1 852 . 1 1 78 78 MET CA C 13 58.810 0.200 . 1 . . . A 78 MET CA . 18096 1 853 . 1 1 78 78 MET CB C 13 32.176 0.200 . 1 . . . A 78 MET CB . 18096 1 854 . 1 1 78 78 MET CG C 13 32.695 0.016 . 1 . . . A 78 MET CG . 18096 1 855 . 1 1 78 78 MET CE C 13 17.315 0.200 . 1 . . . A 78 MET CE . 18096 1 856 . 1 1 78 78 MET N N 15 119.204 0.030 . 1 . . . A 78 MET N . 18096 1 857 . 1 1 79 79 VAL H H 1 8.239 0.015 . 1 . . . A 79 VAL H . 18096 1 858 . 1 1 79 79 VAL HA H 1 3.492 0.015 . 1 . . . A 79 VAL HA . 18096 1 859 . 1 1 79 79 VAL HB H 1 2.186 0.017 . 1 . . . A 79 VAL HB . 18096 1 860 . 1 1 79 79 VAL HG11 H 1 1.010 0.016 . 1 . . . A 79 VAL HG11 . 18096 1 861 . 1 1 79 79 VAL HG12 H 1 1.010 0.016 . 1 . . . A 79 VAL HG12 . 18096 1 862 . 1 1 79 79 VAL HG13 H 1 1.010 0.016 . 1 . . . A 79 VAL HG13 . 18096 1 863 . 1 1 79 79 VAL HG21 H 1 0.737 0.015 . 1 . . . A 79 VAL HG21 . 18096 1 864 . 1 1 79 79 VAL HG22 H 1 0.737 0.015 . 1 . . . A 79 VAL HG22 . 18096 1 865 . 1 1 79 79 VAL HG23 H 1 0.737 0.015 . 1 . . . A 79 VAL HG23 . 18096 1 866 . 1 1 79 79 VAL C C 13 176.866 0.200 . 1 . . . A 79 VAL C . 18096 1 867 . 1 1 79 79 VAL CA C 13 67.374 0.200 . 1 . . . A 79 VAL CA . 18096 1 868 . 1 1 79 79 VAL CB C 13 31.615 0.200 . 1 . . . A 79 VAL CB . 18096 1 869 . 1 1 79 79 VAL CG1 C 13 23.419 0.200 . 2 . . . A 79 VAL CG1 . 18096 1 870 . 1 1 79 79 VAL CG2 C 13 21.745 0.094 . 2 . . . A 79 VAL CG2 . 18096 1 871 . 1 1 79 79 VAL N N 15 122.115 0.124 . 1 . . . A 79 VAL N . 18096 1 872 . 1 1 80 80 LEU H H 1 8.058 0.010 . 1 . . . A 80 LEU H . 18096 1 873 . 1 1 80 80 LEU HA H 1 3.939 0.027 . 1 . . . A 80 LEU HA . 18096 1 874 . 1 1 80 80 LEU HB2 H 1 1.606 0.012 . 2 . . . A 80 LEU HB2 . 18096 1 875 . 1 1 80 80 LEU HB3 H 1 1.537 0.015 . 2 . . . A 80 LEU HB3 . 18096 1 876 . 1 1 80 80 LEU HG H 1 1.549 0.015 . 1 . . . A 80 LEU HG . 18096 1 877 . 1 1 80 80 LEU HD11 H 1 0.716 0.007 . 1 . . . A 80 LEU HD11 . 18096 1 878 . 1 1 80 80 LEU HD12 H 1 0.716 0.007 . 1 . . . A 80 LEU HD12 . 18096 1 879 . 1 1 80 80 LEU HD13 H 1 0.716 0.007 . 1 . . . A 80 LEU HD13 . 18096 1 880 . 1 1 80 80 LEU C C 13 180.078 0.200 . 1 . . . A 80 LEU C . 18096 1 881 . 1 1 80 80 LEU CA C 13 58.597 0.200 . 1 . . . A 80 LEU CA . 18096 1 882 . 1 1 80 80 LEU CB C 13 41.941 0.200 . 1 . . . A 80 LEU CB . 18096 1 883 . 1 1 80 80 LEU CG C 13 27.162 0.200 . 1 . . . A 80 LEU CG . 18096 1 884 . 1 1 80 80 LEU CD1 C 13 24.321 0.075 . 2 . . . A 80 LEU CD1 . 18096 1 885 . 1 1 80 80 LEU N N 15 120.240 0.082 . 1 . . . A 80 LEU N . 18096 1 886 . 1 1 81 81 VAL H H 1 8.800 0.010 . 1 . . . A 81 VAL H . 18096 1 887 . 1 1 81 81 VAL HA H 1 3.458 0.008 . 1 . . . A 81 VAL HA . 18096 1 888 . 1 1 81 81 VAL HB H 1 2.175 0.003 . 1 . . . A 81 VAL HB . 18096 1 889 . 1 1 81 81 VAL HG11 H 1 1.004 0.015 . 1 . . . A 81 VAL HG11 . 18096 1 890 . 1 1 81 81 VAL HG12 H 1 1.004 0.015 . 1 . . . A 81 VAL HG12 . 18096 1 891 . 1 1 81 81 VAL HG13 H 1 1.004 0.015 . 1 . . . A 81 VAL HG13 . 18096 1 892 . 1 1 81 81 VAL HG21 H 1 0.845 0.008 . 1 . . . A 81 VAL HG21 . 18096 1 893 . 1 1 81 81 VAL HG22 H 1 0.845 0.008 . 1 . . . A 81 VAL HG22 . 18096 1 894 . 1 1 81 81 VAL HG23 H 1 0.845 0.008 . 1 . . . A 81 VAL HG23 . 18096 1 895 . 1 1 81 81 VAL C C 13 177.670 0.200 . 1 . . . A 81 VAL C . 18096 1 896 . 1 1 81 81 VAL CA C 13 67.337 0.200 . 1 . . . A 81 VAL CA . 18096 1 897 . 1 1 81 81 VAL CB C 13 31.615 0.200 . 1 . . . A 81 VAL CB . 18096 1 898 . 1 1 81 81 VAL CG1 C 13 23.364 0.200 . 2 . . . A 81 VAL CG1 . 18096 1 899 . 1 1 81 81 VAL CG2 C 13 21.788 0.200 . 2 . . . A 81 VAL CG2 . 18096 1 900 . 1 1 81 81 VAL N N 15 120.008 0.160 . 1 . . . A 81 VAL N . 18096 1 901 . 1 1 82 82 THR H H 1 8.109 0.009 . 1 . . . A 82 THR H . 18096 1 902 . 1 1 82 82 THR HA H 1 3.676 0.019 . 1 . . . A 82 THR HA . 18096 1 903 . 1 1 82 82 THR HB H 1 4.172 0.003 . 1 . . . A 82 THR HB . 18096 1 904 . 1 1 82 82 THR HG21 H 1 1.041 0.009 . 1 . . . A 82 THR HG21 . 18096 1 905 . 1 1 82 82 THR HG22 H 1 1.041 0.009 . 1 . . . A 82 THR HG22 . 18096 1 906 . 1 1 82 82 THR HG23 H 1 1.041 0.009 . 1 . . . A 82 THR HG23 . 18096 1 907 . 1 1 82 82 THR C C 13 176.268 0.200 . 1 . . . A 82 THR C . 18096 1 908 . 1 1 82 82 THR CA C 13 68.590 0.200 . 1 . . . A 82 THR CA . 18096 1 909 . 1 1 82 82 THR CB C 13 68.468 0.200 . 1 . . . A 82 THR CB . 18096 1 910 . 1 1 82 82 THR CG2 C 13 21.444 0.200 . 1 . . . A 82 THR CG2 . 18096 1 911 . 1 1 82 82 THR N N 15 116.872 0.008 . 1 . . . A 82 THR N . 18096 1 912 . 1 1 83 83 PHE H H 1 8.754 0.009 . 1 . . . A 83 PHE H . 18096 1 913 . 1 1 83 83 PHE HA H 1 4.081 0.015 . 1 . . . A 83 PHE HA . 18096 1 914 . 1 1 83 83 PHE HB2 H 1 3.111 0.014 . 2 . . . A 83 PHE HB2 . 18096 1 915 . 1 1 83 83 PHE HD2 H 1 6.989 0.200 . 3 . . . A 83 PHE HD2 . 18096 1 916 . 1 1 83 83 PHE C C 13 178.015 0.200 . 1 . . . A 83 PHE C . 18096 1 917 . 1 1 83 83 PHE CA C 13 61.612 0.200 . 1 . . . A 83 PHE CA . 18096 1 918 . 1 1 83 83 PHE CB C 13 38.686 0.200 . 1 . . . A 83 PHE CB . 18096 1 919 . 1 1 83 83 PHE CD2 C 13 130.720 0.200 . 3 . . . A 83 PHE CD2 . 18096 1 920 . 1 1 83 83 PHE N N 15 119.777 0.057 . 1 . . . A 83 PHE N . 18096 1 921 . 1 1 84 84 SER H H 1 8.335 0.018 . 1 . . . A 84 SER H . 18096 1 922 . 1 1 84 84 SER HA H 1 4.091 0.009 . 1 . . . A 84 SER HA . 18096 1 923 . 1 1 84 84 SER HB2 H 1 3.754 0.004 . 2 . . . A 84 SER HB2 . 18096 1 924 . 1 1 84 84 SER C C 13 175.899 0.200 . 1 . . . A 84 SER C . 18096 1 925 . 1 1 84 84 SER CA C 13 63.269 0.200 . 1 . . . A 84 SER CA . 18096 1 926 . 1 1 84 84 SER CB C 13 62.962 0.200 . 1 . . . A 84 SER CB . 18096 1 927 . 1 1 84 84 SER N N 15 117.769 0.133 . 1 . . . A 84 SER N . 18096 1 928 . 1 1 85 85 ILE H H 1 8.187 0.009 . 1 . . . A 85 ILE H . 18096 1 929 . 1 1 85 85 ILE HA H 1 3.649 0.009 . 1 . . . A 85 ILE HA . 18096 1 930 . 1 1 85 85 ILE HB H 1 1.898 0.015 . 1 . . . A 85 ILE HB . 18096 1 931 . 1 1 85 85 ILE HG12 H 1 1.445 0.006 . 2 . . . A 85 ILE HG12 . 18096 1 932 . 1 1 85 85 ILE HG13 H 1 1.092 0.015 . 2 . . . A 85 ILE HG13 . 18096 1 933 . 1 1 85 85 ILE HG21 H 1 0.809 0.011 . 1 . . . A 85 ILE HG21 . 18096 1 934 . 1 1 85 85 ILE HG22 H 1 0.809 0.011 . 1 . . . A 85 ILE HG22 . 18096 1 935 . 1 1 85 85 ILE HG23 H 1 0.809 0.011 . 1 . . . A 85 ILE HG23 . 18096 1 936 . 1 1 85 85 ILE HD11 H 1 0.726 0.002 . 1 . . . A 85 ILE HD11 . 18096 1 937 . 1 1 85 85 ILE HD12 H 1 0.726 0.002 . 1 . . . A 85 ILE HD12 . 18096 1 938 . 1 1 85 85 ILE HD13 H 1 0.726 0.002 . 1 . . . A 85 ILE HD13 . 18096 1 939 . 1 1 85 85 ILE C C 13 177.778 0.200 . 1 . . . A 85 ILE C . 18096 1 940 . 1 1 85 85 ILE CA C 13 65.504 0.200 . 1 . . . A 85 ILE CA . 18096 1 941 . 1 1 85 85 ILE CB C 13 38.115 0.200 . 1 . . . A 85 ILE CB . 18096 1 942 . 1 1 85 85 ILE CG1 C 13 28.435 0.028 . 1 . . . A 85 ILE CG1 . 18096 1 943 . 1 1 85 85 ILE CG2 C 13 17.385 0.200 . 1 . . . A 85 ILE CG2 . 18096 1 944 . 1 1 85 85 ILE CD1 C 13 13.708 0.022 . 1 . . . A 85 ILE CD1 . 18096 1 945 . 1 1 85 85 ILE N N 15 122.986 0.139 . 1 . . . A 85 ILE N . 18096 1 946 . 1 1 86 86 VAL H H 1 8.367 0.007 . 1 . . . A 86 VAL H . 18096 1 947 . 1 1 86 86 VAL HA H 1 3.509 0.015 . 1 . . . A 86 VAL HA . 18096 1 948 . 1 1 86 86 VAL HB H 1 2.143 0.002 . 1 . . . A 86 VAL HB . 18096 1 949 . 1 1 86 86 VAL HG11 H 1 0.977 0.015 . 1 . . . A 86 VAL HG11 . 18096 1 950 . 1 1 86 86 VAL HG12 H 1 0.977 0.015 . 1 . . . A 86 VAL HG12 . 18096 1 951 . 1 1 86 86 VAL HG13 H 1 0.977 0.015 . 1 . . . A 86 VAL HG13 . 18096 1 952 . 1 1 86 86 VAL HG21 H 1 0.863 0.015 . 1 . . . A 86 VAL HG21 . 18096 1 953 . 1 1 86 86 VAL HG22 H 1 0.863 0.015 . 1 . . . A 86 VAL HG22 . 18096 1 954 . 1 1 86 86 VAL HG23 H 1 0.863 0.015 . 1 . . . A 86 VAL HG23 . 18096 1 955 . 1 1 86 86 VAL C C 13 177.816 0.200 . 1 . . . A 86 VAL C . 18096 1 956 . 1 1 86 86 VAL CA C 13 67.047 0.200 . 1 . . . A 86 VAL CA . 18096 1 957 . 1 1 86 86 VAL CB C 13 31.597 0.200 . 1 . . . A 86 VAL CB . 18096 1 958 . 1 1 86 86 VAL CG1 C 13 23.383 0.200 . 2 . . . A 86 VAL CG1 . 18096 1 959 . 1 1 86 86 VAL CG2 C 13 21.640 0.200 . 2 . . . A 86 VAL CG2 . 18096 1 960 . 1 1 86 86 VAL N N 15 117.289 0.061 . 1 . . . A 86 VAL N . 18096 1 961 . 1 1 87 87 THR H H 1 8.007 0.018 . 1 . . . A 87 THR H . 18096 1 962 . 1 1 87 87 THR HA H 1 3.758 0.015 . 1 . . . A 87 THR HA . 18096 1 963 . 1 1 87 87 THR HG21 H 1 0.971 0.017 . 1 . . . A 87 THR HG21 . 18096 1 964 . 1 1 87 87 THR HG22 H 1 0.971 0.017 . 1 . . . A 87 THR HG22 . 18096 1 965 . 1 1 87 87 THR HG23 H 1 0.971 0.017 . 1 . . . A 87 THR HG23 . 18096 1 966 . 1 1 87 87 THR C C 13 176.095 0.200 . 1 . . . A 87 THR C . 18096 1 967 . 1 1 87 87 THR CA C 13 67.248 0.200 . 1 . . . A 87 THR CA . 18096 1 968 . 1 1 87 87 THR CG2 C 13 22.493 0.353 . 1 . . . A 87 THR CG2 . 18096 1 969 . 1 1 87 87 THR N N 15 116.788 0.081 . 1 . . . A 87 THR N . 18096 1 970 . 1 1 88 88 SER H H 1 7.662 0.003 . 1 . . . A 88 SER H . 18096 1 971 . 1 1 88 88 SER HA H 1 4.018 0.018 . 1 . . . A 88 SER HA . 18096 1 972 . 1 1 88 88 SER HB2 H 1 3.734 0.009 . 2 . . . A 88 SER HB2 . 18096 1 973 . 1 1 88 88 SER C C 13 174.932 0.200 . 1 . . . A 88 SER C . 18096 1 974 . 1 1 88 88 SER CA C 13 62.717 0.200 . 1 . . . A 88 SER CA . 18096 1 975 . 1 1 88 88 SER CB C 13 62.954 0.200 . 1 . . . A 88 SER CB . 18096 1 976 . 1 1 88 88 SER N N 15 116.157 0.087 . 1 . . . A 88 SER N . 18096 1 977 . 1 1 89 89 VAL H H 1 8.274 0.003 . 1 . . . A 89 VAL H . 18096 1 978 . 1 1 89 89 VAL HA H 1 3.516 0.004 . 1 . . . A 89 VAL HA . 18096 1 979 . 1 1 89 89 VAL HG11 H 1 0.976 0.003 . 1 . . . A 89 VAL HG11 . 18096 1 980 . 1 1 89 89 VAL HG12 H 1 0.976 0.003 . 1 . . . A 89 VAL HG12 . 18096 1 981 . 1 1 89 89 VAL HG13 H 1 0.976 0.003 . 1 . . . A 89 VAL HG13 . 18096 1 982 . 1 1 89 89 VAL HG21 H 1 0.853 0.009 . 1 . . . A 89 VAL HG21 . 18096 1 983 . 1 1 89 89 VAL HG22 H 1 0.853 0.009 . 1 . . . A 89 VAL HG22 . 18096 1 984 . 1 1 89 89 VAL HG23 H 1 0.853 0.009 . 1 . . . A 89 VAL HG23 . 18096 1 985 . 1 1 89 89 VAL CA C 13 67.266 0.200 . 1 . . . A 89 VAL CA . 18096 1 986 . 1 1 89 89 VAL CG1 C 13 23.384 0.200 . 2 . . . A 89 VAL CG1 . 18096 1 987 . 1 1 89 89 VAL CG2 C 13 21.841 0.200 . 2 . . . A 89 VAL CG2 . 18096 1 988 . 1 1 89 89 VAL N N 15 117.956 0.113 . 1 . . . A 89 VAL N . 18096 1 989 . 1 1 90 90 CYS H H 1 7.654 0.025 . 1 . . . A 90 CYS H . 18096 1 990 . 1 1 90 90 CYS HA H 1 4.229 0.015 . 1 . . . A 90 CYS HA . 18096 1 991 . 1 1 90 90 CYS HB2 H 1 3.115 0.015 . 2 . . . A 90 CYS HB2 . 18096 1 992 . 1 1 90 90 CYS C C 13 175.174 0.015 . 1 . . . A 90 CYS C . 18096 1 993 . 1 1 90 90 CYS CA C 13 62.618 0.015 . 1 . . . A 90 CYS CA . 18096 1 994 . 1 1 90 90 CYS CB C 13 26.791 0.015 . 1 . . . A 90 CYS CB . 18096 1 995 . 1 1 90 90 CYS N N 15 116.319 0.300 . 1 . . . A 90 CYS N . 18096 1 996 . 1 1 91 91 VAL H H 1 7.760 0.005 . 1 . . . A 91 VAL H . 18096 1 997 . 1 1 91 91 VAL HA H 1 3.626 0.015 . 1 . . . A 91 VAL HA . 18096 1 998 . 1 1 91 91 VAL HB H 1 2.152 0.001 . 1 . . . A 91 VAL HB . 18096 1 999 . 1 1 91 91 VAL HG11 H 1 0.961 0.015 . 1 . . . A 91 VAL HG11 . 18096 1 1000 . 1 1 91 91 VAL HG12 H 1 0.961 0.015 . 1 . . . A 91 VAL HG12 . 18096 1 1001 . 1 1 91 91 VAL HG13 H 1 0.961 0.015 . 1 . . . A 91 VAL HG13 . 18096 1 1002 . 1 1 91 91 VAL HG21 H 1 0.835 0.015 . 1 . . . A 91 VAL HG21 . 18096 1 1003 . 1 1 91 91 VAL HG22 H 1 0.835 0.015 . 1 . . . A 91 VAL HG22 . 18096 1 1004 . 1 1 91 91 VAL HG23 H 1 0.835 0.015 . 1 . . . A 91 VAL HG23 . 18096 1 1005 . 1 1 91 91 VAL C C 13 176.038 0.200 . 1 . . . A 91 VAL C . 18096 1 1006 . 1 1 91 91 VAL CA C 13 63.608 0.200 . 1 . . . A 91 VAL CA . 18096 1 1007 . 1 1 91 91 VAL CB C 13 31.922 0.200 . 1 . . . A 91 VAL CB . 18096 1 1008 . 1 1 91 91 VAL CG1 C 13 23.112 0.200 . 2 . . . A 91 VAL CG1 . 18096 1 1009 . 1 1 91 91 VAL CG2 C 13 21.806 0.200 . 2 . . . A 91 VAL CG2 . 18096 1 1010 . 1 1 91 91 VAL N N 15 115.534 0.127 . 1 . . . A 91 VAL N . 18096 1 1011 . 1 1 92 92 LEU H H 1 7.732 0.017 . 1 . . . A 92 LEU H . 18096 1 1012 . 1 1 92 92 LEU HA H 1 4.240 0.020 . 1 . . . A 92 LEU HA . 18096 1 1013 . 1 1 92 92 LEU HB2 H 1 1.716 0.031 . 2 . . . A 92 LEU HB2 . 18096 1 1014 . 1 1 92 92 LEU HB3 H 1 1.506 0.007 . 2 . . . A 92 LEU HB3 . 18096 1 1015 . 1 1 92 92 LEU HD11 H 1 0.817 0.002 . 1 . . . A 92 LEU HD11 . 18096 1 1016 . 1 1 92 92 LEU HD12 H 1 0.817 0.002 . 1 . . . A 92 LEU HD12 . 18096 1 1017 . 1 1 92 92 LEU HD13 H 1 0.817 0.002 . 1 . . . A 92 LEU HD13 . 18096 1 1018 . 1 1 92 92 LEU C C 13 176.769 0.200 . 1 . . . A 92 LEU C . 18096 1 1019 . 1 1 92 92 LEU CA C 13 55.590 0.209 . 1 . . . A 92 LEU CA . 18096 1 1020 . 1 1 92 92 LEU CB C 13 41.932 0.106 . 1 . . . A 92 LEU CB . 18096 1 1021 . 1 1 92 92 LEU CD1 C 13 24.944 0.200 . 2 . . . A 92 LEU CD1 . 18096 1 1022 . 1 1 92 92 LEU N N 15 119.713 0.038 . 1 . . . A 92 LEU N . 18096 1 1023 . 1 1 93 93 ASN H H 1 7.916 0.012 . 1 . . . A 93 ASN H . 18096 1 1024 . 1 1 93 93 ASN HA H 1 4.676 0.010 . 1 . . . A 93 ASN HA . 18096 1 1025 . 1 1 93 93 ASN HB2 H 1 2.819 0.015 . 2 . . . A 93 ASN HB2 . 18096 1 1026 . 1 1 93 93 ASN HB3 H 1 2.697 0.022 . 2 . . . A 93 ASN HB3 . 18096 1 1027 . 1 1 93 93 ASN C C 13 174.955 0.200 . 1 . . . A 93 ASN C . 18096 1 1028 . 1 1 93 93 ASN CA C 13 53.255 0.200 . 1 . . . A 93 ASN CA . 18096 1 1029 . 1 1 93 93 ASN CB C 13 39.508 0.039 . 1 . . . A 93 ASN CB . 18096 1 1030 . 1 1 93 93 ASN N N 15 117.817 0.025 . 1 . . . A 93 ASN N . 18096 1 1031 . 1 1 94 94 VAL H H 1 7.730 0.006 . 1 . . . A 94 VAL H . 18096 1 1032 . 1 1 94 94 VAL HA H 1 4.024 0.010 . 1 . . . A 94 VAL HA . 18096 1 1033 . 1 1 94 94 VAL HB H 1 2.016 0.008 . 1 . . . A 94 VAL HB . 18096 1 1034 . 1 1 94 94 VAL HG11 H 1 0.902 0.015 . 1 . . . A 94 VAL HG11 . 18096 1 1035 . 1 1 94 94 VAL HG12 H 1 0.902 0.015 . 1 . . . A 94 VAL HG12 . 18096 1 1036 . 1 1 94 94 VAL HG13 H 1 0.902 0.015 . 1 . . . A 94 VAL HG13 . 18096 1 1037 . 1 1 94 94 VAL HG21 H 1 0.814 0.003 . 1 . . . A 94 VAL HG21 . 18096 1 1038 . 1 1 94 94 VAL HG22 H 1 0.814 0.003 . 1 . . . A 94 VAL HG22 . 18096 1 1039 . 1 1 94 94 VAL HG23 H 1 0.814 0.003 . 1 . . . A 94 VAL HG23 . 18096 1 1040 . 1 1 94 94 VAL C C 13 175.740 0.200 . 1 . . . A 94 VAL C . 18096 1 1041 . 1 1 94 94 VAL CA C 13 62.532 0.200 . 1 . . . A 94 VAL CA . 18096 1 1042 . 1 1 94 94 VAL CB C 13 32.632 0.200 . 1 . . . A 94 VAL CB . 18096 1 1043 . 1 1 94 94 VAL CG1 C 13 21.762 0.200 . 2 . . . A 94 VAL CG1 . 18096 1 1044 . 1 1 94 94 VAL CG2 C 13 20.553 0.200 . 2 . . . A 94 VAL CG2 . 18096 1 1045 . 1 1 94 94 VAL N N 15 118.650 0.040 . 1 . . . A 94 VAL N . 18096 1 1046 . 1 1 95 95 HIS H H 1 8.341 0.015 . 1 . . . A 95 HIS H . 18096 1 1047 . 1 1 95 95 HIS HA H 1 4.619 0.016 . 1 . . . A 95 HIS HA . 18096 1 1048 . 1 1 95 95 HIS HB2 H 1 3.197 0.012 . 2 . . . A 95 HIS HB2 . 18096 1 1049 . 1 1 95 95 HIS HB3 H 1 3.088 0.015 . 2 . . . A 95 HIS HB3 . 18096 1 1050 . 1 1 95 95 HIS C C 13 174.146 0.200 . 1 . . . A 95 HIS C . 18096 1 1051 . 1 1 95 95 HIS CA C 13 55.582 0.200 . 1 . . . A 95 HIS CA . 18096 1 1052 . 1 1 95 95 HIS CB C 13 29.755 0.002 . 1 . . . A 95 HIS CB . 18096 1 1053 . 1 1 95 95 HIS N N 15 121.293 0.056 . 1 . . . A 95 HIS N . 18096 1 1054 . 1 1 96 96 HIS H H 1 8.333 0.002 . 1 . . . A 96 HIS H . 18096 1 1055 . 1 1 96 96 HIS HA H 1 4.635 0.015 . 1 . . . A 96 HIS HA . 18096 1 1056 . 1 1 96 96 HIS HB2 H 1 3.185 0.015 . 2 . . . A 96 HIS HB2 . 18096 1 1057 . 1 1 96 96 HIS HB3 H 1 3.088 0.015 . 2 . . . A 96 HIS HB3 . 18096 1 1058 . 1 1 96 96 HIS CA C 13 55.582 0.015 . 1 . . . A 96 HIS CA . 18096 1 1059 . 1 1 96 96 HIS CB C 13 29.773 0.019 . 1 . . . A 96 HIS CB . 18096 1 1060 . 1 1 96 96 HIS N N 15 122.728 0.032 . 1 . . . A 96 HIS N . 18096 1 1061 . 1 1 97 97 ARG HA H 1 4.295 0.020 . 1 . . . A 97 ARG HA . 18096 1 1062 . 1 1 97 97 ARG HB2 H 1 1.789 0.014 . 2 . . . A 97 ARG HB2 . 18096 1 1063 . 1 1 97 97 ARG HB3 H 1 1.714 0.015 . 2 . . . A 97 ARG HB3 . 18096 1 1064 . 1 1 97 97 ARG HG2 H 1 1.573 0.001 . 2 . . . A 97 ARG HG2 . 18096 1 1065 . 1 1 97 97 ARG HD2 H 1 3.160 0.003 . 2 . . . A 97 ARG HD2 . 18096 1 1066 . 1 1 97 97 ARG HD3 H 1 3.160 0.003 . 2 . . . A 97 ARG HD3 . 18096 1 1067 . 1 1 97 97 ARG C C 13 175.776 0.200 . 1 . . . A 97 ARG C . 18096 1 1068 . 1 1 97 97 ARG CA C 13 56.230 0.200 . 1 . . . A 97 ARG CA . 18096 1 1069 . 1 1 97 97 ARG CB C 13 31.030 0.019 . 1 . . . A 97 ARG CB . 18096 1 1070 . 1 1 97 97 ARG CG C 13 27.199 0.200 . 1 . . . A 97 ARG CG . 18096 1 1071 . 1 1 97 97 ARG CD C 13 43.472 0.021 . 1 . . . A 97 ARG CD . 18096 1 1072 . 1 1 98 98 SER H H 1 8.250 0.004 . 1 . . . A 98 SER H . 18096 1 1073 . 1 1 98 98 SER HA H 1 4.736 0.004 . 1 . . . A 98 SER HA . 18096 1 1074 . 1 1 98 98 SER HB2 H 1 3.838 0.001 . 2 . . . A 98 SER HB2 . 18096 1 1075 . 1 1 98 98 SER CA C 13 56.614 0.200 . 1 . . . A 98 SER CA . 18096 1 1076 . 1 1 98 98 SER CB C 13 63.622 0.200 . 1 . . . A 98 SER CB . 18096 1 1077 . 1 1 98 98 SER N N 15 118.439 0.023 . 1 . . . A 98 SER N . 18096 1 1078 . 1 1 99 99 PRO HA H 1 4.394 0.001 . 1 . . . A 99 PRO HA . 18096 1 1079 . 1 1 99 99 PRO HB2 H 1 2.261 0.015 . 2 . . . A 99 PRO HB2 . 18096 1 1080 . 1 1 99 99 PRO HB3 H 1 1.907 0.015 . 2 . . . A 99 PRO HB3 . 18096 1 1081 . 1 1 99 99 PRO HG2 H 1 1.992 0.015 . 2 . . . A 99 PRO HG2 . 18096 1 1082 . 1 1 99 99 PRO HD2 H 1 3.786 0.008 . 2 . . . A 99 PRO HD2 . 18096 1 1083 . 1 1 99 99 PRO HD3 H 1 3.730 0.011 . 2 . . . A 99 PRO HD3 . 18096 1 1084 . 1 1 99 99 PRO C C 13 176.879 0.200 . 1 . . . A 99 PRO C . 18096 1 1085 . 1 1 99 99 PRO CA C 13 63.697 0.200 . 1 . . . A 99 PRO CA . 18096 1 1086 . 1 1 99 99 PRO CB C 13 32.046 0.018 . 1 . . . A 99 PRO CB . 18096 1 1087 . 1 1 99 99 PRO CG C 13 27.459 0.200 . 1 . . . A 99 PRO CG . 18096 1 1088 . 1 1 99 99 PRO CD C 13 50.811 0.027 . 1 . . . A 99 PRO CD . 18096 1 1089 . 1 1 100 100 GLU H H 1 8.391 0.003 . 1 . . . A 100 GLU H . 18096 1 1090 . 1 1 100 100 GLU HA H 1 4.299 0.015 . 1 . . . A 100 GLU HA . 18096 1 1091 . 1 1 100 100 GLU HB2 H 1 1.974 0.030 . 2 . . . A 100 GLU HB2 . 18096 1 1092 . 1 1 100 100 GLU HG2 H 1 2.246 0.012 . 2 . . . A 100 GLU HG2 . 18096 1 1093 . 1 1 100 100 GLU C C 13 176.576 0.200 . 1 . . . A 100 GLU C . 18096 1 1094 . 1 1 100 100 GLU CA C 13 56.467 0.200 . 1 . . . A 100 GLU CA . 18096 1 1095 . 1 1 100 100 GLU CB C 13 29.944 0.200 . 1 . . . A 100 GLU CB . 18096 1 1096 . 1 1 100 100 GLU CG C 13 35.962 0.200 . 1 . . . A 100 GLU CG . 18096 1 1097 . 1 1 100 100 GLU N N 15 120.297 0.020 . 1 . . . A 100 GLU N . 18096 1 1098 . 1 1 101 101 THR H H 1 7.946 0.001 . 1 . . . A 101 THR H . 18096 1 1099 . 1 1 101 101 THR HA H 1 4.280 0.007 . 1 . . . A 101 THR HA . 18096 1 1100 . 1 1 101 101 THR HB H 1 4.159 0.015 . 1 . . . A 101 THR HB . 18096 1 1101 . 1 1 101 101 THR HG21 H 1 1.136 0.008 . 1 . . . A 101 THR HG21 . 18096 1 1102 . 1 1 101 101 THR HG22 H 1 1.136 0.008 . 1 . . . A 101 THR HG22 . 18096 1 1103 . 1 1 101 101 THR HG23 H 1 1.136 0.008 . 1 . . . A 101 THR HG23 . 18096 1 1104 . 1 1 101 101 THR C C 13 174.515 0.200 . 1 . . . A 101 THR C . 18096 1 1105 . 1 1 101 101 THR CA C 13 61.975 0.200 . 1 . . . A 101 THR CA . 18096 1 1106 . 1 1 101 101 THR CB C 13 69.817 0.200 . 1 . . . A 101 THR CB . 18096 1 1107 . 1 1 101 101 THR CG2 C 13 21.663 0.200 . 1 . . . A 101 THR CG2 . 18096 1 1108 . 1 1 101 101 THR N N 15 114.144 0.041 . 1 . . . A 101 THR N . 18096 1 1109 . 1 1 102 102 HIS H H 1 8.459 0.017 . 1 . . . A 102 HIS H . 18096 1 1110 . 1 1 102 102 HIS HA H 1 4.750 0.011 . 1 . . . A 102 HIS HA . 18096 1 1111 . 1 1 102 102 HIS HB2 H 1 3.293 0.015 . 2 . . . A 102 HIS HB2 . 18096 1 1112 . 1 1 102 102 HIS HB3 H 1 3.194 0.016 . 2 . . . A 102 HIS HB3 . 18096 1 1113 . 1 1 102 102 HIS C C 13 174.764 0.200 . 1 . . . A 102 HIS C . 18096 1 1114 . 1 1 102 102 HIS CA C 13 55.685 0.200 . 1 . . . A 102 HIS CA . 18096 1 1115 . 1 1 102 102 HIS CB C 13 29.245 0.084 . 1 . . . A 102 HIS CB . 18096 1 1116 . 1 1 102 102 HIS N N 15 120.429 0.032 . 1 . . . A 102 HIS N . 18096 1 1117 . 1 1 103 103 THR H H 1 8.068 0.003 . 1 . . . A 103 THR H . 18096 1 1118 . 1 1 103 103 THR HA H 1 4.345 0.004 . 1 . . . A 103 THR HA . 18096 1 1119 . 1 1 103 103 THR HB H 1 4.222 0.001 . 1 . . . A 103 THR HB . 18096 1 1120 . 1 1 103 103 THR HG21 H 1 1.161 0.003 . 1 . . . A 103 THR HG21 . 18096 1 1121 . 1 1 103 103 THR HG22 H 1 1.161 0.003 . 1 . . . A 103 THR HG22 . 18096 1 1122 . 1 1 103 103 THR HG23 H 1 1.161 0.003 . 1 . . . A 103 THR HG23 . 18096 1 1123 . 1 1 103 103 THR C C 13 175.087 0.200 . 1 . . . A 103 THR C . 18096 1 1124 . 1 1 103 103 THR CA C 13 61.976 0.067 . 1 . . . A 103 THR CA . 18096 1 1125 . 1 1 103 103 THR CB C 13 69.831 0.068 . 1 . . . A 103 THR CB . 18096 1 1126 . 1 1 103 103 THR CG2 C 13 21.686 0.200 . 1 . . . A 103 THR CG2 . 18096 1 1127 . 1 1 103 103 THR N N 15 114.319 0.001 . 1 . . . A 103 THR N . 18096 1 1128 . 1 1 104 104 GLY H H 1 8.389 0.007 . 1 . . . A 104 GLY H . 18096 1 1129 . 1 1 104 104 GLY HA2 H 1 3.995 0.019 . 2 . . . A 104 GLY HA2 . 18096 1 1130 . 1 1 104 104 GLY C C 13 174.757 0.200 . 1 . . . A 104 GLY C . 18096 1 1131 . 1 1 104 104 GLY CA C 13 45.602 0.200 . 1 . . . A 104 GLY CA . 18096 1 1132 . 1 1 104 104 GLY N N 15 111.143 0.019 . 1 . . . A 104 GLY N . 18096 1 1133 . 1 1 105 105 GLY H H 1 8.272 0.003 . 1 . . . A 105 GLY H . 18096 1 1134 . 1 1 105 105 GLY HA2 H 1 3.985 0.009 . 2 . . . A 105 GLY HA2 . 18096 1 1135 . 1 1 105 105 GLY C C 13 174.892 0.200 . 1 . . . A 105 GLY C . 18096 1 1136 . 1 1 105 105 GLY CA C 13 45.602 0.200 . 1 . . . A 105 GLY CA . 18096 1 1137 . 1 1 105 105 GLY N N 15 108.642 0.012 . 1 . . . A 105 GLY N . 18096 1 1138 . 1 1 106 106 GLY H H 1 8.359 0.011 . 1 . . . A 106 GLY H . 18096 1 1139 . 1 1 106 106 GLY HA2 H 1 3.988 0.012 . 2 . . . A 106 GLY HA2 . 18096 1 1140 . 1 1 106 106 GLY C C 13 174.886 0.200 . 1 . . . A 106 GLY C . 18096 1 1141 . 1 1 106 106 GLY CA C 13 45.602 0.200 . 1 . . . A 106 GLY CA . 18096 1 1142 . 1 1 106 106 GLY N N 15 108.820 0.300 . 1 . . . A 106 GLY N . 18096 1 1143 . 1 1 107 107 GLY H H 1 8.338 0.005 . 1 . . . A 107 GLY H . 18096 1 1144 . 1 1 107 107 GLY HA2 H 1 3.978 0.002 . 2 . . . A 107 GLY HA2 . 18096 1 1145 . 1 1 107 107 GLY C C 13 174.886 0.200 . 1 . . . A 107 GLY C . 18096 1 1146 . 1 1 107 107 GLY CA C 13 45.602 0.200 . 1 . . . A 107 GLY CA . 18096 1 1147 . 1 1 107 107 GLY N N 15 108.550 0.030 . 1 . . . A 107 GLY N . 18096 1 1148 . 1 1 108 108 GLY H H 1 8.336 0.006 . 1 . . . A 108 GLY H . 18096 1 1149 . 1 1 108 108 GLY HA2 H 1 3.974 0.005 . 2 . . . A 108 GLY HA2 . 18096 1 1150 . 1 1 108 108 GLY C C 13 175.411 0.200 . 1 . . . A 108 GLY C . 18096 1 1151 . 1 1 108 108 GLY CA C 13 45.807 0.200 . 1 . . . A 108 GLY CA . 18096 1 1152 . 1 1 108 108 GLY N N 15 108.519 0.066 . 1 . . . A 108 GLY N . 18096 1 1153 . 1 1 109 109 ILE H H 1 8.233 0.005 . 1 . . . A 109 ILE H . 18096 1 1154 . 1 1 109 109 ILE HA H 1 3.976 0.021 . 1 . . . A 109 ILE HA . 18096 1 1155 . 1 1 109 109 ILE HB H 1 1.881 0.008 . 1 . . . A 109 ILE HB . 18096 1 1156 . 1 1 109 109 ILE HG12 H 1 1.484 0.024 . 2 . . . A 109 ILE HG12 . 18096 1 1157 . 1 1 109 109 ILE HG13 H 1 1.226 0.019 . 2 . . . A 109 ILE HG13 . 18096 1 1158 . 1 1 109 109 ILE HG21 H 1 0.865 0.011 . 1 . . . A 109 ILE HG21 . 18096 1 1159 . 1 1 109 109 ILE HG22 H 1 0.865 0.011 . 1 . . . A 109 ILE HG22 . 18096 1 1160 . 1 1 109 109 ILE HG23 H 1 0.865 0.011 . 1 . . . A 109 ILE HG23 . 18096 1 1161 . 1 1 109 109 ILE HD11 H 1 0.828 0.015 . 1 . . . A 109 ILE HD11 . 18096 1 1162 . 1 1 109 109 ILE HD12 H 1 0.828 0.015 . 1 . . . A 109 ILE HD12 . 18096 1 1163 . 1 1 109 109 ILE HD13 H 1 0.828 0.015 . 1 . . . A 109 ILE HD13 . 18096 1 1164 . 1 1 109 109 ILE C C 13 176.019 0.200 . 1 . . . A 109 ILE C . 18096 1 1165 . 1 1 109 109 ILE CA C 13 62.927 0.200 . 1 . . . A 109 ILE CA . 18096 1 1166 . 1 1 109 109 ILE CB C 13 38.073 0.200 . 1 . . . A 109 ILE CB . 18096 1 1167 . 1 1 109 109 ILE CG1 C 13 28.483 0.019 . 1 . . . A 109 ILE CG1 . 18096 1 1168 . 1 1 109 109 ILE CG2 C 13 17.965 0.200 . 1 . . . A 109 ILE CG2 . 18096 1 1169 . 1 1 109 109 ILE CD1 C 13 13.273 0.200 . 1 . . . A 109 ILE CD1 . 18096 1 1170 . 1 1 109 109 ILE N N 15 120.914 0.033 . 1 . . . A 109 ILE N . 18096 1 1171 . 1 1 110 110 ASP H H 1 8.369 0.008 . 1 . . . A 110 ASP H . 18096 1 1172 . 1 1 110 110 ASP HA H 1 4.252 0.010 . 1 . . . A 110 ASP HA . 18096 1 1173 . 1 1 110 110 ASP HB2 H 1 2.631 0.005 . 2 . . . A 110 ASP HB2 . 18096 1 1174 . 1 1 110 110 ASP HB3 H 1 2.587 0.015 . 2 . . . A 110 ASP HB3 . 18096 1 1175 . 1 1 110 110 ASP C C 13 177.648 0.200 . 1 . . . A 110 ASP C . 18096 1 1176 . 1 1 110 110 ASP CA C 13 56.801 0.200 . 1 . . . A 110 ASP CA . 18096 1 1177 . 1 1 110 110 ASP CB C 13 40.181 0.054 . 1 . . . A 110 ASP CB . 18096 1 1178 . 1 1 110 110 ASP N N 15 121.149 0.068 . 1 . . . A 110 ASP N . 18096 1 1179 . 1 1 111 111 ARG H H 1 7.835 0.009 . 1 . . . A 111 ARG H . 18096 1 1180 . 1 1 111 111 ARG HA H 1 3.989 0.012 . 1 . . . A 111 ARG HA . 18096 1 1181 . 1 1 111 111 ARG HB2 H 1 1.892 0.015 . 2 . . . A 111 ARG HB2 . 18096 1 1182 . 1 1 111 111 ARG HB3 H 1 1.850 0.015 . 2 . . . A 111 ARG HB3 . 18096 1 1183 . 1 1 111 111 ARG HG3 H 1 1.619 0.015 . 2 . . . A 111 ARG HG3 . 18096 1 1184 . 1 1 111 111 ARG HD2 H 1 3.251 0.010 . 2 . . . A 111 ARG HD2 . 18096 1 1185 . 1 1 111 111 ARG HD3 H 1 3.251 0.010 . 2 . . . A 111 ARG HD3 . 18096 1 1186 . 1 1 111 111 ARG C C 13 177.502 0.200 . 1 . . . A 111 ARG C . 18096 1 1187 . 1 1 111 111 ARG CA C 13 58.720 0.200 . 1 . . . A 111 ARG CA . 18096 1 1188 . 1 1 111 111 ARG CB C 13 30.103 0.200 . 1 . . . A 111 ARG CB . 18096 1 1189 . 1 1 111 111 ARG CG C 13 27.701 0.200 . 1 . . . A 111 ARG CG . 18096 1 1190 . 1 1 111 111 ARG CD C 13 43.621 0.200 . 1 . . . A 111 ARG CD . 18096 1 1191 . 1 1 111 111 ARG N N 15 119.198 0.073 . 1 . . . A 111 ARG N . 18096 1 1192 . 1 1 112 112 LEU H H 1 7.783 0.012 . 1 . . . A 112 LEU H . 18096 1 1193 . 1 1 112 112 LEU HA H 1 4.003 0.014 . 1 . . . A 112 LEU HA . 18096 1 1194 . 1 1 112 112 LEU HB2 H 1 1.724 0.019 . 2 . . . A 112 LEU HB2 . 18096 1 1195 . 1 1 112 112 LEU HD11 H 1 0.868 0.013 . 1 . . . A 112 LEU HD11 . 18096 1 1196 . 1 1 112 112 LEU HD12 H 1 0.868 0.013 . 1 . . . A 112 LEU HD12 . 18096 1 1197 . 1 1 112 112 LEU HD13 H 1 0.868 0.013 . 1 . . . A 112 LEU HD13 . 18096 1 1198 . 1 1 112 112 LEU HD21 H 1 0.809 0.015 . 1 . . . A 112 LEU HD21 . 18096 1 1199 . 1 1 112 112 LEU HD22 H 1 0.809 0.015 . 1 . . . A 112 LEU HD22 . 18096 1 1200 . 1 1 112 112 LEU HD23 H 1 0.809 0.015 . 1 . . . A 112 LEU HD23 . 18096 1 1201 . 1 1 112 112 LEU C C 13 178.356 0.200 . 1 . . . A 112 LEU C . 18096 1 1202 . 1 1 112 112 LEU CA C 13 58.235 0.200 . 1 . . . A 112 LEU CA . 18096 1 1203 . 1 1 112 112 LEU CB C 13 41.743 0.200 . 1 . . . A 112 LEU CB . 18096 1 1204 . 1 1 112 112 LEU CD1 C 13 25.348 0.200 . 2 . . . A 112 LEU CD1 . 18096 1 1205 . 1 1 112 112 LEU CD2 C 13 25.154 0.200 . 2 . . . A 112 LEU CD2 . 18096 1 1206 . 1 1 112 112 LEU N N 15 118.935 0.013 . 1 . . . A 112 LEU N . 18096 1 1207 . 1 1 113 113 PHE H H 1 8.072 0.017 . 1 . . . A 113 PHE H . 18096 1 1208 . 1 1 113 113 PHE HA H 1 4.084 0.005 . 1 . . . A 113 PHE HA . 18096 1 1209 . 1 1 113 113 PHE HB2 H 1 3.147 0.026 . 2 . . . A 113 PHE HB2 . 18096 1 1210 . 1 1 113 113 PHE HD2 H 1 7.179 0.004 . 3 . . . A 113 PHE HD2 . 18096 1 1211 . 1 1 113 113 PHE C C 13 177.092 0.200 . 1 . . . A 113 PHE C . 18096 1 1212 . 1 1 113 113 PHE CA C 13 62.392 0.200 . 1 . . . A 113 PHE CA . 18096 1 1213 . 1 1 113 113 PHE CB C 13 38.891 0.200 . 1 . . . A 113 PHE CB . 18096 1 1214 . 1 1 113 113 PHE CD2 C 13 130.953 0.200 . 3 . . . A 113 PHE CD2 . 18096 1 1215 . 1 1 113 113 PHE N N 15 116.117 0.079 . 1 . . . A 113 PHE N . 18096 1 1216 . 1 1 114 114 LEU H H 1 7.881 0.005 . 1 . . . A 114 LEU H . 18096 1 1217 . 1 1 114 114 LEU HA H 1 4.001 0.027 . 1 . . . A 114 LEU HA . 18096 1 1218 . 1 1 114 114 LEU HB2 H 1 1.643 0.012 . 2 . . . A 114 LEU HB2 . 18096 1 1219 . 1 1 114 114 LEU HG H 1 1.417 0.025 . 1 . . . A 114 LEU HG . 18096 1 1220 . 1 1 114 114 LEU HD11 H 1 0.779 0.015 . 1 . . . A 114 LEU HD11 . 18096 1 1221 . 1 1 114 114 LEU HD12 H 1 0.779 0.015 . 1 . . . A 114 LEU HD12 . 18096 1 1222 . 1 1 114 114 LEU HD13 H 1 0.779 0.015 . 1 . . . A 114 LEU HD13 . 18096 1 1223 . 1 1 114 114 LEU HD21 H 1 0.650 0.002 . 1 . . . A 114 LEU HD21 . 18096 1 1224 . 1 1 114 114 LEU HD22 H 1 0.650 0.002 . 1 . . . A 114 LEU HD22 . 18096 1 1225 . 1 1 114 114 LEU HD23 H 1 0.650 0.002 . 1 . . . A 114 LEU HD23 . 18096 1 1226 . 1 1 114 114 LEU C C 13 178.210 0.200 . 1 . . . A 114 LEU C . 18096 1 1227 . 1 1 114 114 LEU CA C 13 58.509 0.200 . 1 . . . A 114 LEU CA . 18096 1 1228 . 1 1 114 114 LEU CB C 13 41.784 0.200 . 1 . . . A 114 LEU CB . 18096 1 1229 . 1 1 114 114 LEU CG C 13 27.306 0.200 . 1 . . . A 114 LEU CG . 18096 1 1230 . 1 1 114 114 LEU CD1 C 13 24.598 0.204 . 2 . . . A 114 LEU CD1 . 18096 1 1231 . 1 1 114 114 LEU CD2 C 13 24.632 0.033 . 2 . . . A 114 LEU CD2 . 18096 1 1232 . 1 1 114 114 LEU N N 15 118.710 0.061 . 1 . . . A 114 LEU N . 18096 1 1233 . 1 1 115 115 TRP H H 1 7.925 0.006 . 1 . . . A 115 TRP H . 18096 1 1234 . 1 1 115 115 TRP HA H 1 4.282 0.003 . 1 . . . A 115 TRP HA . 18096 1 1235 . 1 1 115 115 TRP HB2 H 1 3.258 0.012 . 2 . . . A 115 TRP HB2 . 18096 1 1236 . 1 1 115 115 TRP HD1 H 1 7.199 0.018 . 1 . . . A 115 TRP HD1 . 18096 1 1237 . 1 1 115 115 TRP HE3 H 1 7.431 0.015 . 1 . . . A 115 TRP HE3 . 18096 1 1238 . 1 1 115 115 TRP HZ2 H 1 7.402 0.015 . 1 . . . A 115 TRP HZ2 . 18096 1 1239 . 1 1 115 115 TRP C C 13 178.536 0.200 . 1 . . . A 115 TRP C . 18096 1 1240 . 1 1 115 115 TRP CA C 13 60.744 0.200 . 1 . . . A 115 TRP CA . 18096 1 1241 . 1 1 115 115 TRP CB C 13 29.125 0.200 . 1 . . . A 115 TRP CB . 18096 1 1242 . 1 1 115 115 TRP CD1 C 13 126.058 0.200 . 1 . . . A 115 TRP CD1 . 18096 1 1243 . 1 1 115 115 TRP CE3 C 13 120.360 0.200 . 1 . . . A 115 TRP CE3 . 18096 1 1244 . 1 1 115 115 TRP CZ2 C 13 114.680 0.200 . 1 . . . A 115 TRP CZ2 . 18096 1 1245 . 1 1 115 115 TRP N N 15 117.801 0.054 . 1 . . . A 115 TRP N . 18096 1 1246 . 1 1 116 116 ILE H H 1 8.355 0.012 . 1 . . . A 116 ILE H . 18096 1 1247 . 1 1 116 116 ILE HA H 1 3.694 0.034 . 1 . . . A 116 ILE HA . 18096 1 1248 . 1 1 116 116 ILE HB H 1 1.914 0.015 . 1 . . . A 116 ILE HB . 18096 1 1249 . 1 1 116 116 ILE HG13 H 1 1.257 0.001 . 2 . . . A 116 ILE HG13 . 18096 1 1250 . 1 1 116 116 ILE HG21 H 1 0.849 0.008 . 1 . . . A 116 ILE HG21 . 18096 1 1251 . 1 1 116 116 ILE HG22 H 1 0.849 0.008 . 1 . . . A 116 ILE HG22 . 18096 1 1252 . 1 1 116 116 ILE HG23 H 1 0.849 0.008 . 1 . . . A 116 ILE HG23 . 18096 1 1253 . 1 1 116 116 ILE HD11 H 1 0.728 0.002 . 1 . . . A 116 ILE HD11 . 18096 1 1254 . 1 1 116 116 ILE HD12 H 1 0.728 0.002 . 1 . . . A 116 ILE HD12 . 18096 1 1255 . 1 1 116 116 ILE HD13 H 1 0.728 0.002 . 1 . . . A 116 ILE HD13 . 18096 1 1256 . 1 1 116 116 ILE C C 13 177.423 0.200 . 1 . . . A 116 ILE C . 18096 1 1257 . 1 1 116 116 ILE CA C 13 65.987 0.200 . 1 . . . A 116 ILE CA . 18096 1 1258 . 1 1 116 116 ILE CB C 13 38.151 0.200 . 1 . . . A 116 ILE CB . 18096 1 1259 . 1 1 116 116 ILE CG1 C 13 28.600 0.200 . 1 . . . A 116 ILE CG1 . 18096 1 1260 . 1 1 116 116 ILE CG2 C 13 17.677 0.200 . 1 . . . A 116 ILE CG2 . 18096 1 1261 . 1 1 116 116 ILE CD1 C 13 13.660 0.068 . 1 . . . A 116 ILE CD1 . 18096 1 1262 . 1 1 116 116 ILE N N 15 118.212 0.134 . 1 . . . A 116 ILE N . 18096 1 1263 . 1 1 117 117 PHE H H 1 8.419 0.009 . 1 . . . A 117 PHE H . 18096 1 1264 . 1 1 117 117 PHE HA H 1 4.094 0.007 . 1 . . . A 117 PHE HA . 18096 1 1265 . 1 1 117 117 PHE HB2 H 1 3.231 0.013 . 2 . . . A 117 PHE HB2 . 18096 1 1266 . 1 1 117 117 PHE HB3 H 1 3.020 0.007 . 2 . . . A 117 PHE HB3 . 18096 1 1267 . 1 1 117 117 PHE HD1 H 1 7.006 0.013 . 3 . . . A 117 PHE HD1 . 18096 1 1268 . 1 1 117 117 PHE C C 13 177.389 0.200 . 1 . . . A 117 PHE C . 18096 1 1269 . 1 1 117 117 PHE CA C 13 61.945 0.200 . 1 . . . A 117 PHE CA . 18096 1 1270 . 1 1 117 117 PHE CB C 13 38.939 0.031 . 1 . . . A 117 PHE CB . 18096 1 1271 . 1 1 117 117 PHE CD1 C 13 130.720 0.200 . 3 . . . A 117 PHE CD1 . 18096 1 1272 . 1 1 117 117 PHE N N 15 119.509 0.013 . 1 . . . A 117 PHE N . 18096 1 1273 . 1 1 118 118 VAL H H 1 8.509 0.010 . 1 . . . A 118 VAL H . 18096 1 1274 . 1 1 118 118 VAL HA H 1 3.510 0.008 . 1 . . . A 118 VAL HA . 18096 1 1275 . 1 1 118 118 VAL HB H 1 2.251 0.006 . 1 . . . A 118 VAL HB . 18096 1 1276 . 1 1 118 118 VAL HG11 H 1 0.954 0.015 . 1 . . . A 118 VAL HG11 . 18096 1 1277 . 1 1 118 118 VAL HG12 H 1 0.954 0.015 . 1 . . . A 118 VAL HG12 . 18096 1 1278 . 1 1 118 118 VAL HG13 H 1 0.954 0.015 . 1 . . . A 118 VAL HG13 . 18096 1 1279 . 1 1 118 118 VAL HG21 H 1 0.812 0.016 . 1 . . . A 118 VAL HG21 . 18096 1 1280 . 1 1 118 118 VAL HG22 H 1 0.812 0.016 . 1 . . . A 118 VAL HG22 . 18096 1 1281 . 1 1 118 118 VAL HG23 H 1 0.812 0.016 . 1 . . . A 118 VAL HG23 . 18096 1 1282 . 1 1 118 118 VAL C C 13 177.452 0.200 . 1 . . . A 118 VAL C . 18096 1 1283 . 1 1 118 118 VAL CA C 13 67.440 0.200 . 1 . . . A 118 VAL CA . 18096 1 1284 . 1 1 118 118 VAL CB C 13 31.462 0.200 . 1 . . . A 118 VAL CB . 18096 1 1285 . 1 1 118 118 VAL CG1 C 13 23.143 0.200 . 2 . . . A 118 VAL CG1 . 18096 1 1286 . 1 1 118 118 VAL CG2 C 13 21.300 0.200 . 2 . . . A 118 VAL CG2 . 18096 1 1287 . 1 1 118 118 VAL N N 15 118.927 0.021 . 1 . . . A 118 VAL N . 18096 1 1288 . 1 1 119 119 PHE H H 1 8.477 0.009 . 1 . . . A 119 PHE H . 18096 1 1289 . 1 1 119 119 PHE HA H 1 4.040 0.015 . 1 . . . A 119 PHE HA . 18096 1 1290 . 1 1 119 119 PHE HB2 H 1 3.209 0.016 . 2 . . . A 119 PHE HB2 . 18096 1 1291 . 1 1 119 119 PHE HD1 H 1 7.001 0.012 . 3 . . . A 119 PHE HD1 . 18096 1 1292 . 1 1 119 119 PHE C C 13 177.403 0.200 . 1 . . . A 119 PHE C . 18096 1 1293 . 1 1 119 119 PHE CA C 13 62.603 0.200 . 1 . . . A 119 PHE CA . 18096 1 1294 . 1 1 119 119 PHE CB C 13 39.145 0.200 . 1 . . . A 119 PHE CB . 18096 1 1295 . 1 1 119 119 PHE CD1 C 13 130.800 0.200 . 3 . . . A 119 PHE CD1 . 18096 1 1296 . 1 1 119 119 PHE N N 15 118.638 0.053 . 1 . . . A 119 PHE N . 18096 1 1297 . 1 1 120 120 VAL H H 1 8.705 0.013 . 1 . . . A 120 VAL H . 18096 1 1298 . 1 1 120 120 VAL HA H 1 3.467 0.017 . 1 . . . A 120 VAL HA . 18096 1 1299 . 1 1 120 120 VAL HB H 1 2.179 0.003 . 1 . . . A 120 VAL HB . 18096 1 1300 . 1 1 120 120 VAL HG11 H 1 1.084 0.004 . 1 . . . A 120 VAL HG11 . 18096 1 1301 . 1 1 120 120 VAL HG12 H 1 1.084 0.004 . 1 . . . A 120 VAL HG12 . 18096 1 1302 . 1 1 120 120 VAL HG13 H 1 1.084 0.004 . 1 . . . A 120 VAL HG13 . 18096 1 1303 . 1 1 120 120 VAL HG21 H 1 0.881 0.012 . 1 . . . A 120 VAL HG21 . 18096 1 1304 . 1 1 120 120 VAL HG22 H 1 0.881 0.012 . 1 . . . A 120 VAL HG22 . 18096 1 1305 . 1 1 120 120 VAL HG23 H 1 0.881 0.012 . 1 . . . A 120 VAL HG23 . 18096 1 1306 . 1 1 120 120 VAL C C 13 177.851 0.200 . 1 . . . A 120 VAL C . 18096 1 1307 . 1 1 120 120 VAL CA C 13 67.436 0.097 . 1 . . . A 120 VAL CA . 18096 1 1308 . 1 1 120 120 VAL CB C 13 31.659 0.200 . 1 . . . A 120 VAL CB . 18096 1 1309 . 1 1 120 120 VAL CG1 C 13 23.293 0.335 . 2 . . . A 120 VAL CG1 . 18096 1 1310 . 1 1 120 120 VAL CG2 C 13 21.631 0.200 . 2 . . . A 120 VAL CG2 . 18096 1 1311 . 1 1 120 120 VAL N N 15 118.660 0.108 . 1 . . . A 120 VAL N . 18096 1 1312 . 1 1 121 121 CYS H H 1 7.981 0.008 . 1 . . . A 121 CYS H . 18096 1 1313 . 1 1 121 121 CYS HA H 1 3.902 0.018 . 1 . . . A 121 CYS HA . 18096 1 1314 . 1 1 121 121 CYS HB2 H 1 2.856 0.010 . 2 . . . A 121 CYS HB2 . 18096 1 1315 . 1 1 121 121 CYS C C 13 177.629 0.200 . 1 . . . A 121 CYS C . 18096 1 1316 . 1 1 121 121 CYS CA C 13 64.339 0.200 . 1 . . . A 121 CYS CA . 18096 1 1317 . 1 1 121 121 CYS CB C 13 26.789 0.170 . 1 . . . A 121 CYS CB . 18096 1 1318 . 1 1 121 121 CYS N N 15 117.055 0.178 . 1 . . . A 121 CYS N . 18096 1 1319 . 1 1 122 122 VAL H H 1 8.487 0.011 . 1 . . . A 122 VAL H . 18096 1 1320 . 1 1 122 122 VAL HA H 1 3.479 0.014 . 1 . . . A 122 VAL HA . 18096 1 1321 . 1 1 122 122 VAL HB H 1 1.951 0.020 . 1 . . . A 122 VAL HB . 18096 1 1322 . 1 1 122 122 VAL HG11 H 1 0.865 0.005 . 1 . . . A 122 VAL HG11 . 18096 1 1323 . 1 1 122 122 VAL HG12 H 1 0.865 0.005 . 1 . . . A 122 VAL HG12 . 18096 1 1324 . 1 1 122 122 VAL HG13 H 1 0.865 0.005 . 1 . . . A 122 VAL HG13 . 18096 1 1325 . 1 1 122 122 VAL HG21 H 1 0.568 0.008 . 1 . . . A 122 VAL HG21 . 18096 1 1326 . 1 1 122 122 VAL HG22 H 1 0.568 0.008 . 1 . . . A 122 VAL HG22 . 18096 1 1327 . 1 1 122 122 VAL HG23 H 1 0.568 0.008 . 1 . . . A 122 VAL HG23 . 18096 1 1328 . 1 1 122 122 VAL C C 13 176.923 0.200 . 1 . . . A 122 VAL C . 18096 1 1329 . 1 1 122 122 VAL CA C 13 67.261 0.200 . 1 . . . A 122 VAL CA . 18096 1 1330 . 1 1 122 122 VAL CB C 13 32.126 0.088 . 1 . . . A 122 VAL CB . 18096 1 1331 . 1 1 122 122 VAL CG1 C 13 22.998 0.200 . 2 . . . A 122 VAL CG1 . 18096 1 1332 . 1 1 122 122 VAL CG2 C 13 21.092 0.103 . 2 . . . A 122 VAL CG2 . 18096 1 1333 . 1 1 122 122 VAL N N 15 120.422 0.115 . 1 . . . A 122 VAL N . 18096 1 1334 . 1 1 123 123 PHE H H 1 8.630 0.008 . 1 . . . A 123 PHE H . 18096 1 1335 . 1 1 123 123 PHE HA H 1 4.034 0.020 . 1 . . . A 123 PHE HA . 18096 1 1336 . 1 1 123 123 PHE HB3 H 1 2.790 0.014 . 2 . . . A 123 PHE HB3 . 18096 1 1337 . 1 1 123 123 PHE HD2 H 1 7.042 0.005 . 3 . . . A 123 PHE HD2 . 18096 1 1338 . 1 1 123 123 PHE C C 13 178.151 0.200 . 1 . . . A 123 PHE C . 18096 1 1339 . 1 1 123 123 PHE CA C 13 62.094 0.200 . 1 . . . A 123 PHE CA . 18096 1 1340 . 1 1 123 123 PHE CB C 13 38.637 0.200 . 1 . . . A 123 PHE CB . 18096 1 1341 . 1 1 123 123 PHE CD2 C 13 130.853 0.200 . 3 . . . A 123 PHE CD2 . 18096 1 1342 . 1 1 123 123 PHE N N 15 117.927 0.071 . 1 . . . A 123 PHE N . 18096 1 1343 . 1 1 124 124 GLY H H 1 8.689 0.008 . 1 . . . A 124 GLY H . 18096 1 1344 . 1 1 124 124 GLY HA2 H 1 3.670 0.004 . 2 . . . A 124 GLY HA2 . 18096 1 1345 . 1 1 124 124 GLY C C 13 174.290 0.200 . 1 . . . A 124 GLY C . 18096 1 1346 . 1 1 124 124 GLY CA C 13 47.551 0.200 . 1 . . . A 124 GLY CA . 18096 1 1347 . 1 1 124 124 GLY N N 15 106.539 0.119 . 1 . . . A 124 GLY N . 18096 1 1348 . 1 1 125 125 THR H H 1 7.553 0.015 . 1 . . . A 125 THR H . 18096 1 1349 . 1 1 125 125 THR HA H 1 3.649 0.005 . 1 . . . A 125 THR HA . 18096 1 1350 . 1 1 125 125 THR C C 13 176.231 0.200 . 1 . . . A 125 THR C . 18096 1 1351 . 1 1 125 125 THR CA C 13 67.989 0.200 . 1 . . . A 125 THR CA . 18096 1 1352 . 1 1 125 125 THR N N 15 117.059 0.156 . 1 . . . A 125 THR N . 18096 1 1353 . 1 1 126 126 ILE H H 1 8.003 0.008 . 1 . . . A 126 ILE H . 18096 1 1354 . 1 1 126 126 ILE HA H 1 3.648 0.009 . 1 . . . A 126 ILE HA . 18096 1 1355 . 1 1 126 126 ILE HB H 1 1.829 0.002 . 1 . . . A 126 ILE HB . 18096 1 1356 . 1 1 126 126 ILE HG13 H 1 1.241 0.018 . 2 . . . A 126 ILE HG13 . 18096 1 1357 . 1 1 126 126 ILE HG21 H 1 0.830 0.015 . 1 . . . A 126 ILE HG21 . 18096 1 1358 . 1 1 126 126 ILE HG22 H 1 0.830 0.015 . 1 . . . A 126 ILE HG22 . 18096 1 1359 . 1 1 126 126 ILE HG23 H 1 0.830 0.015 . 1 . . . A 126 ILE HG23 . 18096 1 1360 . 1 1 126 126 ILE HD11 H 1 0.791 0.015 . 1 . . . A 126 ILE HD11 . 18096 1 1361 . 1 1 126 126 ILE HD12 H 1 0.791 0.015 . 1 . . . A 126 ILE HD12 . 18096 1 1362 . 1 1 126 126 ILE HD13 H 1 0.791 0.015 . 1 . . . A 126 ILE HD13 . 18096 1 1363 . 1 1 126 126 ILE C C 13 177.976 0.200 . 1 . . . A 126 ILE C . 18096 1 1364 . 1 1 126 126 ILE CA C 13 65.715 0.200 . 1 . . . A 126 ILE CA . 18096 1 1365 . 1 1 126 126 ILE CB C 13 37.830 0.200 . 1 . . . A 126 ILE CB . 18096 1 1366 . 1 1 126 126 ILE CG1 C 13 28.512 0.200 . 1 . . . A 126 ILE CG1 . 18096 1 1367 . 1 1 126 126 ILE CG2 C 13 17.642 0.200 . 1 . . . A 126 ILE CG2 . 18096 1 1368 . 1 1 126 126 ILE CD1 C 13 13.689 0.200 . 1 . . . A 126 ILE CD1 . 18096 1 1369 . 1 1 126 126 ILE N N 15 119.538 0.014 . 1 . . . A 126 ILE N . 18096 1 1370 . 1 1 127 127 GLY H H 1 8.438 0.011 . 1 . . . A 127 GLY H . 18096 1 1371 . 1 1 127 127 GLY HA2 H 1 3.630 0.010 . 2 . . . A 127 GLY HA2 . 18096 1 1372 . 1 1 127 127 GLY C C 13 174.597 0.200 . 1 . . . A 127 GLY C . 18096 1 1373 . 1 1 127 127 GLY CA C 13 47.569 0.200 . 1 . . . A 127 GLY CA . 18096 1 1374 . 1 1 127 127 GLY N N 15 105.404 0.076 . 1 . . . A 127 GLY N . 18096 1 1375 . 1 1 128 128 MET H H 1 7.821 0.012 . 1 . . . A 128 MET H . 18096 1 1376 . 1 1 128 128 MET HA H 1 4.153 0.017 . 1 . . . A 128 MET HA . 18096 1 1377 . 1 1 128 128 MET HB2 H 1 2.184 0.014 . 2 . . . A 128 MET HB2 . 18096 1 1378 . 1 1 128 128 MET HB3 H 1 1.870 0.016 . 2 . . . A 128 MET HB3 . 18096 1 1379 . 1 1 128 128 MET HG2 H 1 2.478 0.015 . 2 . . . A 128 MET HG2 . 18096 1 1380 . 1 1 128 128 MET HG3 H 1 2.418 0.011 . 2 . . . A 128 MET HG3 . 18096 1 1381 . 1 1 128 128 MET HE1 H 1 1.901 0.013 . 1 . . . A 128 MET HE1 . 18096 1 1382 . 1 1 128 128 MET HE2 H 1 1.901 0.013 . 1 . . . A 128 MET HE2 . 18096 1 1383 . 1 1 128 128 MET HE3 H 1 1.901 0.013 . 1 . . . A 128 MET HE3 . 18096 1 1384 . 1 1 128 128 MET C C 13 177.815 0.200 . 1 . . . A 128 MET C . 18096 1 1385 . 1 1 128 128 MET CA C 13 58.198 0.200 . 1 . . . A 128 MET CA . 18096 1 1386 . 1 1 128 128 MET CB C 13 32.113 0.038 . 1 . . . A 128 MET CB . 18096 1 1387 . 1 1 128 128 MET CG C 13 32.592 0.120 . 1 . . . A 128 MET CG . 18096 1 1388 . 1 1 128 128 MET CE C 13 17.290 0.003 . 1 . . . A 128 MET CE . 18096 1 1389 . 1 1 128 128 MET N N 15 117.893 0.068 . 1 . . . A 128 MET N . 18096 1 1390 . 1 1 129 129 PHE H H 1 7.797 0.003 . 1 . . . A 129 PHE H . 18096 1 1391 . 1 1 129 129 PHE HA H 1 4.134 0.014 . 1 . . . A 129 PHE HA . 18096 1 1392 . 1 1 129 129 PHE HB2 H 1 3.184 0.011 . 2 . . . A 129 PHE HB2 . 18096 1 1393 . 1 1 129 129 PHE HB3 H 1 3.026 0.020 . 2 . . . A 129 PHE HB3 . 18096 1 1394 . 1 1 129 129 PHE HD2 H 1 7.179 0.005 . 3 . . . A 129 PHE HD2 . 18096 1 1395 . 1 1 129 129 PHE C C 13 175.863 0.200 . 1 . . . A 129 PHE C . 18096 1 1396 . 1 1 129 129 PHE CA C 13 59.815 0.200 . 1 . . . A 129 PHE CA . 18096 1 1397 . 1 1 129 129 PHE CB C 13 39.090 0.059 . 1 . . . A 129 PHE CB . 18096 1 1398 . 1 1 129 129 PHE CD2 C 13 131.169 0.200 . 3 . . . A 129 PHE CD2 . 18096 1 1399 . 1 1 129 129 PHE N N 15 116.018 0.057 . 1 . . . A 129 PHE N . 18096 1 1400 . 1 1 130 130 LEU H H 1 7.745 0.007 . 1 . . . A 130 LEU H . 18096 1 1401 . 1 1 130 130 LEU HA H 1 4.338 0.026 . 1 . . . A 130 LEU HA . 18096 1 1402 . 1 1 130 130 LEU HB2 H 1 1.899 0.019 . 2 . . . A 130 LEU HB2 . 18096 1 1403 . 1 1 130 130 LEU HD11 H 1 0.861 0.001 . 1 . . . A 130 LEU HD11 . 18096 1 1404 . 1 1 130 130 LEU HD12 H 1 0.861 0.001 . 1 . . . A 130 LEU HD12 . 18096 1 1405 . 1 1 130 130 LEU HD13 H 1 0.861 0.001 . 1 . . . A 130 LEU HD13 . 18096 1 1406 . 1 1 130 130 LEU HD21 H 1 0.824 0.015 . 1 . . . A 130 LEU HD21 . 18096 1 1407 . 1 1 130 130 LEU HD22 H 1 0.824 0.015 . 1 . . . A 130 LEU HD22 . 18096 1 1408 . 1 1 130 130 LEU HD23 H 1 0.824 0.015 . 1 . . . A 130 LEU HD23 . 18096 1 1409 . 1 1 130 130 LEU C C 13 177.219 0.200 . 1 . . . A 130 LEU C . 18096 1 1410 . 1 1 130 130 LEU CA C 13 55.467 0.200 . 1 . . . A 130 LEU CA . 18096 1 1411 . 1 1 130 130 LEU CB C 13 42.424 0.200 . 1 . . . A 130 LEU CB . 18096 1 1412 . 1 1 130 130 LEU CD1 C 13 26.014 0.200 . 2 . . . A 130 LEU CD1 . 18096 1 1413 . 1 1 130 130 LEU CD2 C 13 23.591 0.200 . 2 . . . A 130 LEU CD2 . 18096 1 1414 . 1 1 130 130 LEU N N 15 115.806 0.033 . 1 . . . A 130 LEU N . 18096 1 1415 . 1 1 131 131 GLN H H 1 7.808 0.004 . 1 . . . A 131 GLN H . 18096 1 1416 . 1 1 131 131 GLN HA H 1 4.104 0.007 . 1 . . . A 131 GLN HA . 18096 1 1417 . 1 1 131 131 GLN HB2 H 1 2.186 0.015 . 2 . . . A 131 GLN HB2 . 18096 1 1418 . 1 1 131 131 GLN HB3 H 1 2.146 0.006 . 2 . . . A 131 GLN HB3 . 18096 1 1419 . 1 1 131 131 GLN HG2 H 1 2.354 0.007 . 2 . . . A 131 GLN HG2 . 18096 1 1420 . 1 1 131 131 GLN HG3 H 1 2.354 0.007 . 2 . . . A 131 GLN HG3 . 18096 1 1421 . 1 1 131 131 GLN HE21 H 1 7.385 0.015 . 2 . . . A 131 GLN HE21 . 18096 1 1422 . 1 1 131 131 GLN HE22 H 1 6.655 0.010 . 2 . . . A 131 GLN HE22 . 18096 1 1423 . 1 1 131 131 GLN CA C 13 60.319 0.200 . 1 . . . A 131 GLN CA . 18096 1 1424 . 1 1 131 131 GLN CB C 13 26.821 0.010 . 1 . . . A 131 GLN CB . 18096 1 1425 . 1 1 131 131 GLN CG C 13 34.040 0.200 . 1 . . . A 131 GLN CG . 18096 1 1426 . 1 1 131 131 GLN N N 15 118.630 0.029 . 1 . . . A 131 GLN N . 18096 1 1427 . 1 1 131 131 GLN NE2 N 15 109.913 0.025 . 1 . . . A 131 GLN NE2 . 18096 1 1428 . 1 1 132 132 PRO HA H 1 4.373 0.003 . 1 . . . A 132 PRO HA . 18096 1 1429 . 1 1 132 132 PRO HB2 H 1 2.337 0.008 . 2 . . . A 132 PRO HB2 . 18096 1 1430 . 1 1 132 132 PRO HB3 H 1 1.652 0.015 . 2 . . . A 132 PRO HB3 . 18096 1 1431 . 1 1 132 132 PRO HG2 H 1 1.980 0.008 . 2 . . . A 132 PRO HG2 . 18096 1 1432 . 1 1 132 132 PRO HD2 H 1 3.646 0.009 . 2 . . . A 132 PRO HD2 . 18096 1 1433 . 1 1 132 132 PRO HD3 H 1 3.526 0.006 . 2 . . . A 132 PRO HD3 . 18096 1 1434 . 1 1 132 132 PRO C C 13 177.739 0.200 . 1 . . . A 132 PRO C . 18096 1 1435 . 1 1 132 132 PRO CA C 13 65.383 0.200 . 1 . . . A 132 PRO CA . 18096 1 1436 . 1 1 132 132 PRO CB C 13 31.526 0.133 . 1 . . . A 132 PRO CB . 18096 1 1437 . 1 1 132 132 PRO CG C 13 28.003 0.200 . 1 . . . A 132 PRO CG . 18096 1 1438 . 1 1 132 132 PRO CD C 13 50.478 0.147 . 1 . . . A 132 PRO CD . 18096 1 1439 . 1 1 133 133 LEU H H 1 7.689 0.004 . 1 . . . A 133 LEU H . 18096 1 1440 . 1 1 133 133 LEU HA H 1 4.064 0.007 . 1 . . . A 133 LEU HA . 18096 1 1441 . 1 1 133 133 LEU HB2 H 1 1.611 0.003 . 2 . . . A 133 LEU HB2 . 18096 1 1442 . 1 1 133 133 LEU HB3 H 1 1.262 0.011 . 2 . . . A 133 LEU HB3 . 18096 1 1443 . 1 1 133 133 LEU HG H 1 1.604 0.005 . 1 . . . A 133 LEU HG . 18096 1 1444 . 1 1 133 133 LEU HD11 H 1 0.782 0.026 . 1 . . . A 133 LEU HD11 . 18096 1 1445 . 1 1 133 133 LEU HD12 H 1 0.782 0.026 . 1 . . . A 133 LEU HD12 . 18096 1 1446 . 1 1 133 133 LEU HD13 H 1 0.782 0.026 . 1 . . . A 133 LEU HD13 . 18096 1 1447 . 1 1 133 133 LEU HD21 H 1 0.839 0.002 . 1 . . . A 133 LEU HD21 . 18096 1 1448 . 1 1 133 133 LEU HD22 H 1 0.839 0.002 . 1 . . . A 133 LEU HD22 . 18096 1 1449 . 1 1 133 133 LEU HD23 H 1 0.839 0.002 . 1 . . . A 133 LEU HD23 . 18096 1 1450 . 1 1 133 133 LEU C C 13 176.918 0.200 . 1 . . . A 133 LEU C . 18096 1 1451 . 1 1 133 133 LEU CA C 13 56.401 0.200 . 1 . . . A 133 LEU CA . 18096 1 1452 . 1 1 133 133 LEU CB C 13 41.989 0.064 . 1 . . . A 133 LEU CB . 18096 1 1453 . 1 1 133 133 LEU CG C 13 27.452 0.009 . 1 . . . A 133 LEU CG . 18096 1 1454 . 1 1 133 133 LEU CD1 C 13 23.909 0.040 . 2 . . . A 133 LEU CD1 . 18096 1 1455 . 1 1 133 133 LEU CD2 C 13 25.530 0.036 . 2 . . . A 133 LEU CD2 . 18096 1 1456 . 1 1 133 133 LEU N N 15 115.632 0.007 . 1 . . . A 133 LEU N . 18096 1 1457 . 1 1 134 134 PHE H H 1 7.679 0.003 . 1 . . . A 134 PHE H . 18096 1 1458 . 1 1 134 134 PHE HA H 1 4.529 0.003 . 1 . . . A 134 PHE HA . 18096 1 1459 . 1 1 134 134 PHE HB2 H 1 3.276 0.008 . 2 . . . A 134 PHE HB2 . 18096 1 1460 . 1 1 134 134 PHE HB3 H 1 2.952 0.012 . 2 . . . A 134 PHE HB3 . 18096 1 1461 . 1 1 134 134 PHE HD2 H 1 7.284 0.007 . 3 . . . A 134 PHE HD2 . 18096 1 1462 . 1 1 134 134 PHE C C 13 175.245 0.200 . 1 . . . A 134 PHE C . 18096 1 1463 . 1 1 134 134 PHE CA C 13 57.738 0.200 . 1 . . . A 134 PHE CA . 18096 1 1464 . 1 1 134 134 PHE CB C 13 39.609 0.004 . 1 . . . A 134 PHE CB . 18096 1 1465 . 1 1 134 134 PHE CD2 C 13 132.268 0.054 . 3 . . . A 134 PHE CD2 . 18096 1 1466 . 1 1 134 134 PHE N N 15 114.807 0.031 . 1 . . . A 134 PHE N . 18096 1 1467 . 1 1 135 135 GLN H H 1 7.651 0.004 . 1 . . . A 135 GLN H . 18096 1 1468 . 1 1 135 135 GLN HA H 1 4.315 0.010 . 1 . . . A 135 GLN HA . 18096 1 1469 . 1 1 135 135 GLN HB2 H 1 2.103 0.025 . 2 . . . A 135 GLN HB2 . 18096 1 1470 . 1 1 135 135 GLN HB3 H 1 2.021 0.006 . 2 . . . A 135 GLN HB3 . 18096 1 1471 . 1 1 135 135 GLN HG2 H 1 2.348 0.005 . 2 . . . A 135 GLN HG2 . 18096 1 1472 . 1 1 135 135 GLN HG3 H 1 2.348 0.005 . 2 . . . A 135 GLN HG3 . 18096 1 1473 . 1 1 135 135 GLN HE21 H 1 7.480 0.015 . 2 . . . A 135 GLN HE21 . 18096 1 1474 . 1 1 135 135 GLN HE22 H 1 6.714 0.015 . 2 . . . A 135 GLN HE22 . 18096 1 1475 . 1 1 135 135 GLN C C 13 175.361 0.200 . 1 . . . A 135 GLN C . 18096 1 1476 . 1 1 135 135 GLN CA C 13 56.107 0.200 . 1 . . . A 135 GLN CA . 18096 1 1477 . 1 1 135 135 GLN CB C 13 29.866 0.056 . 1 . . . A 135 GLN CB . 18096 1 1478 . 1 1 135 135 GLN CG C 13 34.040 0.200 . 1 . . . A 135 GLN CG . 18096 1 1479 . 1 1 135 135 GLN N N 15 118.318 0.026 . 1 . . . A 135 GLN N . 18096 1 1480 . 1 1 135 135 GLN NE2 N 15 111.263 0.102 . 1 . . . A 135 GLN NE2 . 18096 1 1481 . 1 1 136 136 GLU H H 1 8.109 0.006 . 1 . . . A 136 GLU H . 18096 1 1482 . 1 1 136 136 GLU HA H 1 4.311 0.011 . 1 . . . A 136 GLU HA . 18096 1 1483 . 1 1 136 136 GLU HB2 H 1 2.087 0.015 . 2 . . . A 136 GLU HB2 . 18096 1 1484 . 1 1 136 136 GLU HB3 H 1 1.920 0.015 . 2 . . . A 136 GLU HB3 . 18096 1 1485 . 1 1 136 136 GLU HG2 H 1 2.286 0.009 . 2 . . . A 136 GLU HG2 . 18096 1 1486 . 1 1 136 136 GLU C C 13 175.153 0.200 . 1 . . . A 136 GLU C . 18096 1 1487 . 1 1 136 136 GLU CA C 13 56.475 0.200 . 1 . . . A 136 GLU CA . 18096 1 1488 . 1 1 136 136 GLU CB C 13 30.232 0.063 . 1 . . . A 136 GLU CB . 18096 1 1489 . 1 1 136 136 GLU CG C 13 35.914 0.135 . 1 . . . A 136 GLU CG . 18096 1 1490 . 1 1 136 136 GLU N N 15 120.684 0.029 . 1 . . . A 136 GLU N . 18096 1 1491 . 1 1 137 137 GLU H H 1 7.818 0.011 . 1 . . . A 137 GLU H . 18096 1 1492 . 1 1 137 137 GLU HA H 1 4.108 0.002 . 1 . . . A 137 GLU HA . 18096 1 1493 . 1 1 137 137 GLU HB2 H 1 2.048 0.015 . 2 . . . A 137 GLU HB2 . 18096 1 1494 . 1 1 137 137 GLU HB3 H 1 1.873 0.005 . 2 . . . A 137 GLU HB3 . 18096 1 1495 . 1 1 137 137 GLU HG2 H 1 2.230 0.015 . 2 . . . A 137 GLU HG2 . 18096 1 1496 . 1 1 137 137 GLU CA C 13 57.729 0.200 . 1 . . . A 137 GLU CA . 18096 1 1497 . 1 1 137 137 GLU CB C 13 30.946 0.200 . 1 . . . A 137 GLU CB . 18096 1 1498 . 1 1 137 137 GLU CG C 13 35.962 0.200 . 1 . . . A 137 GLU CG . 18096 1 1499 . 1 1 137 137 GLU N N 15 125.292 0.057 . 1 . . . A 137 GLU N . 18096 1 stop_ save_