data_50424 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50424 _Entry.Title ; 1H, 13C and 15N backbone NMR assignments of pathogenic variant C84Y of cardiac troponin C (cTnC) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-08-05 _Entry.Accession_date 2020-08-05 _Entry.Last_release_date 2020-08-05 _Entry.Original_release_date 2020-08-05 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Mayra Marques . A. . . 50424 2 Adolfo Moraes . H. . 0000-0002-3344-4084 50424 3 Jerson Silva . L. . . 50424 4 Guilherme 'de Oliveira' . A. . . 50424 5 Jose Pinto . R. . . 50424 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Florida State University' . 50424 2 . 'Universidade Federal do Rio de Janeiro' . 50424 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50424 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 461 50424 '15N chemical shifts' 157 50424 '1H chemical shifts' 572 50424 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2021-09-21 . original BMRB . 50424 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50424 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34163821 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Anomalous structural dynamics of minimally frustrated residues in cardiac troponin C triggers hypertrophic cardiomyopathy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Chem. Sci.' _Citation.Journal_name_full 'Chemical science' _Citation.Journal_volume 12 _Citation.Journal_issue 21 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-6520 _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 7308 _Citation.Page_last 7323 _Citation.Year 2021 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Mayra Marques M. A. . . 50424 1 2 Maicon Landim-Vieira M. . . . 50424 1 3 Adolfo Moraes A. H. . . 50424 1 4 Bin Sun B. . . . 50424 1 5 Jamie Johnston J. R. . . 50424 1 6 Karissa 'Dieseldorff Jones' K. M. . . 50424 1 7 Elio Cino E. A. . . 50424 1 8 Michelle Parvatiyar M. S. . . 50424 1 9 Isela Valera I. C. . . 50424 1 10 Jerson Silva J. L. . . 50424 1 11 Vitold Galkin V. E. . . 50424 1 12 'P Bryant' Chase P. B. . . 50424 1 13 Peter Kekenes-Huskey P. M. . . 50424 1 14 Guilherme 'de Oliveira' . . . . 50424 1 15 'Jose Renato' Pinto J. R. . . 50424 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Nuclear magnetic resonance' 50424 1 'cardiac muscle' 50424 1 'cardiovascular disease' 50424 1 'contractile protein' 50424 1 'protein structure-function' 50424 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50424 _Assembly.ID 1 _Assembly.Name 'cardiac isoform of TnC (cTnC) variant C84Y' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 18372.45 _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 'polymer chain' 1 $entity_1 . . yes native yes no . . . 50424 1 2 'metal ions' 2 $entity_CA . . no native no no . . . 50424 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Extremely slow exchange' 50424 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'To bind calcium and regulate striated muscle contraction' 50424 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50424 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AADIYKAAVEQLTEEQKNEF KAAFDIFVLGAEDGCISTKE LGKVMRMLGQNPTPEELQEM IDEVDEDGSGTVDFDEFLVM MVRYMKDDSKGKSEEELSDL FRMFDKNADGYIDLEELKIM LQATGETITEDDIEELMKDG DKNNDGRIDYDEFLEFMKGV E ; _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 161 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation C84Y _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'To bind calcium and regulate striated muscle contraction' 50424 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 . ALA . 50424 1 2 . ALA . 50424 1 3 . ASP . 50424 1 4 . ILE . 50424 1 5 . TYR . 50424 1 6 . LYS . 50424 1 7 . ALA . 50424 1 8 . ALA . 50424 1 9 . VAL . 50424 1 10 . GLU . 50424 1 11 . GLN . 50424 1 12 . LEU . 50424 1 13 . THR . 50424 1 14 . GLU . 50424 1 15 . GLU . 50424 1 16 . GLN . 50424 1 17 . LYS . 50424 1 18 . ASN . 50424 1 19 . GLU . 50424 1 20 . PHE . 50424 1 21 . LYS . 50424 1 22 . ALA . 50424 1 23 . ALA . 50424 1 24 . PHE . 50424 1 25 . ASP . 50424 1 26 . ILE . 50424 1 27 . PHE . 50424 1 28 . VAL . 50424 1 29 . LEU . 50424 1 30 . GLY . 50424 1 31 . ALA . 50424 1 32 . GLU . 50424 1 33 . ASP . 50424 1 34 . GLY . 50424 1 35 . CYS . 50424 1 36 . ILE . 50424 1 37 . SER . 50424 1 38 . THR . 50424 1 39 . LYS . 50424 1 40 . GLU . 50424 1 41 . LEU . 50424 1 42 . GLY . 50424 1 43 . LYS . 50424 1 44 . VAL . 50424 1 45 . MET . 50424 1 46 . ARG . 50424 1 47 . MET . 50424 1 48 . LEU . 50424 1 49 . GLY . 50424 1 50 . GLN . 50424 1 51 . ASN . 50424 1 52 . PRO . 50424 1 53 . THR . 50424 1 54 . PRO . 50424 1 55 . GLU . 50424 1 56 . GLU . 50424 1 57 . LEU . 50424 1 58 . GLN . 50424 1 59 . GLU . 50424 1 60 . MET . 50424 1 61 . ILE . 50424 1 62 . ASP . 50424 1 63 . GLU . 50424 1 64 . VAL . 50424 1 65 . ASP . 50424 1 66 . GLU . 50424 1 67 . ASP . 50424 1 68 . GLY . 50424 1 69 . SER . 50424 1 70 . GLY . 50424 1 71 . THR . 50424 1 72 . VAL . 50424 1 73 . ASP . 50424 1 74 . PHE . 50424 1 75 . ASP . 50424 1 76 . GLU . 50424 1 77 . PHE . 50424 1 78 . LEU . 50424 1 79 . VAL . 50424 1 80 . MET . 50424 1 81 . MET . 50424 1 82 . VAL . 50424 1 83 . ARG . 50424 1 84 . TYR . 50424 1 85 . MET . 50424 1 86 . LYS . 50424 1 87 . ASP . 50424 1 88 . ASP . 50424 1 89 . SER . 50424 1 90 . LYS . 50424 1 91 . GLY . 50424 1 92 . LYS . 50424 1 93 . SER . 50424 1 94 . GLU . 50424 1 95 . GLU . 50424 1 96 . GLU . 50424 1 97 . LEU . 50424 1 98 . SER . 50424 1 99 . ASP . 50424 1 100 . LEU . 50424 1 101 . PHE . 50424 1 102 . ARG . 50424 1 103 . MET . 50424 1 104 . PHE . 50424 1 105 . ASP . 50424 1 106 . LYS . 50424 1 107 . ASN . 50424 1 108 . ALA . 50424 1 109 . ASP . 50424 1 110 . GLY . 50424 1 111 . TYR . 50424 1 112 . ILE . 50424 1 113 . ASP . 50424 1 114 . LEU . 50424 1 115 . GLU . 50424 1 116 . GLU . 50424 1 117 . LEU . 50424 1 118 . LYS . 50424 1 119 . ILE . 50424 1 120 . MET . 50424 1 121 . LEU . 50424 1 122 . GLN . 50424 1 123 . ALA . 50424 1 124 . THR . 50424 1 125 . GLY . 50424 1 126 . GLU . 50424 1 127 . THR . 50424 1 128 . ILE . 50424 1 129 . THR . 50424 1 130 . GLU . 50424 1 131 . ASP . 50424 1 132 . ASP . 50424 1 133 . ILE . 50424 1 134 . GLU . 50424 1 135 . GLU . 50424 1 136 . LEU . 50424 1 137 . MET . 50424 1 138 . LYS . 50424 1 139 . ASP . 50424 1 140 . GLY . 50424 1 141 . ASP . 50424 1 142 . LYS . 50424 1 143 . ASN . 50424 1 144 . ASN . 50424 1 145 . ASP . 50424 1 146 . GLY . 50424 1 147 . ARG . 50424 1 148 . ILE . 50424 1 149 . ASP . 50424 1 150 . TYR . 50424 1 151 . ASP . 50424 1 152 . GLU . 50424 1 153 . PHE . 50424 1 154 . LEU . 50424 1 155 . GLU . 50424 1 156 . PHE . 50424 1 157 . MET . 50424 1 158 . LYS . 50424 1 159 . GLY . 50424 1 160 . VAL . 50424 1 161 . GLU . 50424 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 . ALA 1 1 50424 1 . ALA 2 2 50424 1 . ASP 3 3 50424 1 . ILE 4 4 50424 1 . TYR 5 5 50424 1 . LYS 6 6 50424 1 . ALA 7 7 50424 1 . ALA 8 8 50424 1 . VAL 9 9 50424 1 . GLU 10 10 50424 1 . GLN 11 11 50424 1 . LEU 12 12 50424 1 . THR 13 13 50424 1 . GLU 14 14 50424 1 . GLU 15 15 50424 1 . GLN 16 16 50424 1 . LYS 17 17 50424 1 . ASN 18 18 50424 1 . GLU 19 19 50424 1 . PHE 20 20 50424 1 . LYS 21 21 50424 1 . ALA 22 22 50424 1 . ALA 23 23 50424 1 . PHE 24 24 50424 1 . ASP 25 25 50424 1 . ILE 26 26 50424 1 . PHE 27 27 50424 1 . VAL 28 28 50424 1 . LEU 29 29 50424 1 . GLY 30 30 50424 1 . ALA 31 31 50424 1 . GLU 32 32 50424 1 . ASP 33 33 50424 1 . GLY 34 34 50424 1 . CYS 35 35 50424 1 . ILE 36 36 50424 1 . SER 37 37 50424 1 . THR 38 38 50424 1 . LYS 39 39 50424 1 . GLU 40 40 50424 1 . LEU 41 41 50424 1 . GLY 42 42 50424 1 . LYS 43 43 50424 1 . VAL 44 44 50424 1 . MET 45 45 50424 1 . ARG 46 46 50424 1 . MET 47 47 50424 1 . LEU 48 48 50424 1 . GLY 49 49 50424 1 . GLN 50 50 50424 1 . ASN 51 51 50424 1 . PRO 52 52 50424 1 . THR 53 53 50424 1 . PRO 54 54 50424 1 . GLU 55 55 50424 1 . GLU 56 56 50424 1 . LEU 57 57 50424 1 . GLN 58 58 50424 1 . GLU 59 59 50424 1 . MET 60 60 50424 1 . ILE 61 61 50424 1 . ASP 62 62 50424 1 . GLU 63 63 50424 1 . VAL 64 64 50424 1 . ASP 65 65 50424 1 . GLU 66 66 50424 1 . ASP 67 67 50424 1 . GLY 68 68 50424 1 . SER 69 69 50424 1 . GLY 70 70 50424 1 . THR 71 71 50424 1 . VAL 72 72 50424 1 . ASP 73 73 50424 1 . PHE 74 74 50424 1 . ASP 75 75 50424 1 . GLU 76 76 50424 1 . PHE 77 77 50424 1 . LEU 78 78 50424 1 . VAL 79 79 50424 1 . MET 80 80 50424 1 . MET 81 81 50424 1 . VAL 82 82 50424 1 . ARG 83 83 50424 1 . TYR 84 84 50424 1 . MET 85 85 50424 1 . LYS 86 86 50424 1 . ASP 87 87 50424 1 . ASP 88 88 50424 1 . SER 89 89 50424 1 . LYS 90 90 50424 1 . GLY 91 91 50424 1 . LYS 92 92 50424 1 . SER 93 93 50424 1 . GLU 94 94 50424 1 . GLU 95 95 50424 1 . GLU 96 96 50424 1 . LEU 97 97 50424 1 . SER 98 98 50424 1 . ASP 99 99 50424 1 . LEU 100 100 50424 1 . PHE 101 101 50424 1 . ARG 102 102 50424 1 . MET 103 103 50424 1 . PHE 104 104 50424 1 . ASP 105 105 50424 1 . LYS 106 106 50424 1 . ASN 107 107 50424 1 . ALA 108 108 50424 1 . ASP 109 109 50424 1 . GLY 110 110 50424 1 . TYR 111 111 50424 1 . ILE 112 112 50424 1 . ASP 113 113 50424 1 . LEU 114 114 50424 1 . GLU 115 115 50424 1 . GLU 116 116 50424 1 . LEU 117 117 50424 1 . LYS 118 118 50424 1 . ILE 119 119 50424 1 . MET 120 120 50424 1 . LEU 121 121 50424 1 . GLN 122 122 50424 1 . ALA 123 123 50424 1 . THR 124 124 50424 1 . GLY 125 125 50424 1 . GLU 126 126 50424 1 . THR 127 127 50424 1 . ILE 128 128 50424 1 . THR 129 129 50424 1 . GLU 130 130 50424 1 . ASP 131 131 50424 1 . ASP 132 132 50424 1 . ILE 133 133 50424 1 . GLU 134 134 50424 1 . GLU 135 135 50424 1 . LEU 136 136 50424 1 . MET 137 137 50424 1 . LYS 138 138 50424 1 . ASP 139 139 50424 1 . GLY 140 140 50424 1 . ASP 141 141 50424 1 . LYS 142 142 50424 1 . ASN 143 143 50424 1 . ASN 144 144 50424 1 . ASP 145 145 50424 1 . GLY 146 146 50424 1 . ARG 147 147 50424 1 . ILE 148 148 50424 1 . ASP 149 149 50424 1 . TYR 150 150 50424 1 . ASP 151 151 50424 1 . GLU 152 152 50424 1 . PHE 153 153 50424 1 . LEU 154 154 50424 1 . GLU 155 155 50424 1 . PHE 156 156 50424 1 . MET 157 157 50424 1 . LYS 158 158 50424 1 . GLY 159 159 50424 1 . VAL 160 160 50424 1 . GLU 161 161 50424 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 50424 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name entity_CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 50424 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 50424 2 CA 'Three letter code' 50424 2 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 1 CA $chem_comp_CA 50424 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50424 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens human C84Y . . . . . . . . . TNNC1 . 50424 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50424 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . plasmid . . pET-3d . . . 50424 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 50424 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 50424 CA InChI=1S/Ca/q+2 InChI InChI 1.03 50424 CA [Ca++] SMILES CACTVS 3.341 50424 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 50424 CA [Ca+2] SMILES ACDLabs 10.04 50424 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 50424 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 50424 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 50424 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 50424 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 50424 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50424 _Sample.ID 1 _Sample.Name '15N-13C-labeled cTnC C84Y' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; The composition of the buffer used was 20 mM MOPS (pH 7.0), 6 mM CaCl2, 1 mM MgCl2, 100 mM KCl, and 10 mM DTT containing 10% D2O. ; _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Cardiac Troponin C (cTnC) C84Y' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 750 300 1200 uM . . . . 50424 1 2 MOPS 'natural abundance' . . . . . . 20 . . mM . . . . 50424 1 3 CaCl2 'natural abundance' . . . . . . 6 . . mM . . . . 50424 1 4 MgCl2 'natural abundance' . . . . . . 1 . . mM . . . . 50424 1 5 KCL 'natural abundance' . . . . . . 100 . . mM . . . . 50424 1 6 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 50424 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 50424 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 50424 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Backbone NMR assignment' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.114 . M 50424 1 pH 7.0 . pH 50424 1 pressure 1 . atm 50424 1 temperature 298 . K 50424 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50424 _Software.ID 1 _Software.Type . _Software.Name ANALYSIS _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50424 1 'peak picking' . 50424 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50424 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.6 _Software.DOI . _Software.Details 'Bruker Biospin' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50424 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50424 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 750 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50424 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50424 1 2 '3D HN(CO)CACB' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50424 1 3 '3D HNCACB' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50424 1 4 '3D HN(CA)CO' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50424 1 5 '3D HNCO' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50424 1 6 '3D HNCA' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50424 1 7 '3D HBHA(CO)NH' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50424 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-15N HSQC' C84Y_cTnC.tar.gz . 'Time-domain (raw spectral data)' . . 50424 1 3 '3D HNCACB' C84Y_cTnC.tar.gz . 'Time-domain (raw spectral data)' . . 50424 1 4 '3D HN(CA)CO' C84Y_cTnC.tar.gz . 'Time-domain (raw spectral data)' . . 50424 1 5 '3D HNCO' C84Y_cTnC.tar.gz . 'Time-domain (raw spectral data)' . . 50424 1 6 '3D HNCA' C84Y_cTnC.tar.gz . 'Time-domain (raw spectral data)' . . 50424 1 7 '3D HBHA(CO)NH' C84Y_cTnC.tar.gz . 'Time-domain (raw spectral data)' . . 50424 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50424 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name '_Chem_shift_reference.dSS' _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect . . . . . . 50424 1 H 1 DSS 'methyl protons' . . . . ppm 0 na direct 1 . . . . . 50424 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect . . . . . . 50424 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50424 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name NMR_backbone_assignment_cTnCC84Y_080720 _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 $chem_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 '2D 1H-15N HSQC' . . . 50424 1 2 '3D HN(CO)CACB' . . . 50424 1 3 '3D HNCACB' . . . 50424 1 4 '3D HN(CA)CO' . . . 50424 1 5 '3D HNCO' . . . 50424 1 6 '3D HNCA' . . . 50424 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50424 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 ALA HA H 1 4.067 0.000 . 1 . . . . . 1 ALA HA . 50424 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.316 0.000 . 1 . . . . . 1 ALA HB1 . 50424 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.316 0.000 . 1 . . . . . 1 ALA HB2 . 50424 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.316 0.000 . 1 . . . . . 1 ALA HB3 . 50424 1 5 . 1 . 1 1 1 ALA C C 13 179.537 0.000 . 1 . . . . . 1 ALA C . 50424 1 6 . 1 . 1 1 1 ALA CA C 13 54.340 0.000 . 1 . . . . . 1 ALA CA . 50424 1 7 . 1 . 1 1 1 ALA CB C 13 17.992 0.000 . 1 . . . . . 1 ALA CB . 50424 1 8 . 1 . 1 2 2 ALA H H 1 7.593 0.002 . 1 . . . . . 2 ALA H . 50424 1 9 . 1 . 1 2 2 ALA C C 13 176.245 0.000 . 1 . . . . . 2 ALA C . 50424 1 10 . 1 . 1 2 2 ALA CA C 13 54.422 0.063 . 1 . . . . . 2 ALA CA . 50424 1 11 . 1 . 1 2 2 ALA CB C 13 18.033 0.000 . 1 . . . . . 2 ALA CB . 50424 1 12 . 1 . 1 2 2 ALA N N 15 120.422 0.035 . 1 . . . . . 2 ALA N . 50424 1 13 . 1 . 1 3 3 ASP H H 1 8.568 0.003 . 1 . . . . . 3 ASP H . 50424 1 14 . 1 . 1 3 3 ASP HA H 1 4.356 0.000 . 1 . . . . . 3 ASP HA . 50424 1 15 . 1 . 1 3 3 ASP HB2 H 1 2.613 0.000 . 2 . . . . . 3 ASP HB2 . 50424 1 16 . 1 . 1 3 3 ASP HB3 H 1 2.561 0.000 . 2 . . . . . 3 ASP HB3 . 50424 1 17 . 1 . 1 3 3 ASP C C 13 177.879 0.007 . 1 . . . . . 3 ASP C . 50424 1 18 . 1 . 1 3 3 ASP CA C 13 56.148 0.000 . 1 . . . . . 3 ASP CA . 50424 1 19 . 1 . 1 3 3 ASP CB C 13 41.177 0.000 . 1 . . . . . 3 ASP CB . 50424 1 20 . 1 . 1 3 3 ASP N N 15 122.734 0.035 . 1 . . . . . 3 ASP N . 50424 1 21 . 1 . 1 4 4 ILE H H 1 8.309 0.001 . 1 . . . . . 4 ILE H . 50424 1 22 . 1 . 1 4 4 ILE HA H 1 3.819 0.000 . 1 . . . . . 4 ILE HA . 50424 1 23 . 1 . 1 4 4 ILE HB H 1 1.531 0.000 . 1 . . . . . 4 ILE HB . 50424 1 24 . 1 . 1 4 4 ILE C C 13 177.613 0.005 . 1 . . . . . 4 ILE C . 50424 1 25 . 1 . 1 4 4 ILE CA C 13 63.774 0.062 . 1 . . . . . 4 ILE CA . 50424 1 26 . 1 . 1 4 4 ILE CB C 13 37.702 0.016 . 1 . . . . . 4 ILE CB . 50424 1 27 . 1 . 1 4 4 ILE N N 15 119.181 0.021 . 1 . . . . . 4 ILE N . 50424 1 28 . 1 . 1 5 5 TYR H H 1 7.514 0.002 . 1 . . . . . 5 TYR H . 50424 1 29 . 1 . 1 5 5 TYR HA H 1 4.328 0.000 . 1 . . . . . 5 TYR HA . 50424 1 30 . 1 . 1 5 5 TYR HB2 H 1 2.978 0.000 . 2 . . . . . 5 TYR HB2 . 50424 1 31 . 1 . 1 5 5 TYR HB3 H 1 2.759 0.000 . 2 . . . . . 5 TYR HB3 . 50424 1 32 . 1 . 1 5 5 TYR C C 13 177.042 0.008 . 1 . . . . . 5 TYR C . 50424 1 33 . 1 . 1 5 5 TYR CA C 13 59.990 0.038 . 1 . . . . . 5 TYR CA . 50424 1 34 . 1 . 1 5 5 TYR CB C 13 37.717 0.049 . 1 . . . . . 5 TYR CB . 50424 1 35 . 1 . 1 5 5 TYR N N 15 121.004 0.036 . 1 . . . . . 5 TYR N . 50424 1 36 . 1 . 1 6 6 LYS H H 1 7.793 0.001 . 1 . . . . . 6 LYS H . 50424 1 37 . 1 . 1 6 6 LYS HA H 1 3.900 0.000 . 1 . . . . . 6 LYS HA . 50424 1 38 . 1 . 1 6 6 LYS HB2 H 1 1.803 0.000 . 2 . . . . . 6 LYS HB2 . 50424 1 39 . 1 . 1 6 6 LYS HB3 H 1 1.784 0.000 . 2 . . . . . 6 LYS HB3 . 50424 1 40 . 1 . 1 6 6 LYS C C 13 178.976 0.008 . 1 . . . . . 6 LYS C . 50424 1 41 . 1 . 1 6 6 LYS CA C 13 59.529 0.039 . 1 . . . . . 6 LYS CA . 50424 1 42 . 1 . 1 6 6 LYS CB C 13 32.250 0.029 . 1 . . . . . 6 LYS CB . 50424 1 43 . 1 . 1 6 6 LYS N N 15 120.346 0.043 . 1 . . . . . 6 LYS N . 50424 1 44 . 1 . 1 7 7 ALA H H 1 7.961 0.002 . 1 . . . . . 7 ALA H . 50424 1 45 . 1 . 1 7 7 ALA HA H 1 4.064 0.000 . 1 . . . . . 7 ALA HA . 50424 1 46 . 1 . 1 7 7 ALA HB1 H 1 1.319 0.000 . 1 . . . . . 7 ALA HB1 . 50424 1 47 . 1 . 1 7 7 ALA HB2 H 1 1.319 0.000 . 1 . . . . . 7 ALA HB2 . 50424 1 48 . 1 . 1 7 7 ALA HB3 H 1 1.319 0.000 . 1 . . . . . 7 ALA HB3 . 50424 1 49 . 1 . 1 7 7 ALA C C 13 179.689 0.001 . 1 . . . . . 7 ALA C . 50424 1 50 . 1 . 1 7 7 ALA CA C 13 54.465 0.032 . 1 . . . . . 7 ALA CA . 50424 1 51 . 1 . 1 7 7 ALA CB C 13 17.777 0.041 . 1 . . . . . 7 ALA CB . 50424 1 52 . 1 . 1 7 7 ALA N N 15 120.594 0.031 . 1 . . . . . 7 ALA N . 50424 1 53 . 1 . 1 8 8 ALA H H 1 7.475 0.001 . 1 . . . . . 8 ALA H . 50424 1 54 . 1 . 1 8 8 ALA HA H 1 4.079 0.000 . 1 . . . . . 8 ALA HA . 50424 1 55 . 1 . 1 8 8 ALA HB1 H 1 1.481 0.000 . 1 . . . . . 8 ALA HB1 . 50424 1 56 . 1 . 1 8 8 ALA HB2 H 1 1.481 0.000 . 1 . . . . . 8 ALA HB2 . 50424 1 57 . 1 . 1 8 8 ALA HB3 H 1 1.481 0.000 . 1 . . . . . 8 ALA HB3 . 50424 1 58 . 1 . 1 8 8 ALA C C 13 180.833 0.008 . 1 . . . . . 8 ALA C . 50424 1 59 . 1 . 1 8 8 ALA CA C 13 54.572 0.013 . 1 . . . . . 8 ALA CA . 50424 1 60 . 1 . 1 8 8 ALA CB C 13 18.223 0.000 . 1 . . . . . 8 ALA CB . 50424 1 61 . 1 . 1 8 8 ALA N N 15 119.951 0.034 . 1 . . . . . 8 ALA N . 50424 1 62 . 1 . 1 9 9 VAL H H 1 7.980 0.002 . 1 . . . . . 9 VAL H . 50424 1 63 . 1 . 1 9 9 VAL HA H 1 3.505 0.000 . 1 . . . . . 9 VAL HA . 50424 1 64 . 1 . 1 9 9 VAL HB H 1 2.135 0.000 . 1 . . . . . 9 VAL HB . 50424 1 65 . 1 . 1 9 9 VAL C C 13 178.578 0.001 . 1 . . . . . 9 VAL C . 50424 1 66 . 1 . 1 9 9 VAL CA C 13 66.155 0.055 . 1 . . . . . 9 VAL CA . 50424 1 67 . 1 . 1 9 9 VAL CB C 13 31.844 0.046 . 1 . . . . . 9 VAL CB . 50424 1 68 . 1 . 1 9 9 VAL N N 15 119.093 0.034 . 1 . . . . . 9 VAL N . 50424 1 69 . 1 . 1 10 10 GLU H H 1 7.759 0.004 . 1 . . . . . 10 GLU H . 50424 1 70 . 1 . 1 10 10 GLU HA H 1 4.023 0.000 . 1 . . . . . 10 GLU HA . 50424 1 71 . 1 . 1 10 10 GLU HB2 H 1 2.065 0.000 . 1 . . . . . 10 GLU HB2 . 50424 1 72 . 1 . 1 10 10 GLU HB3 H 1 2.065 0.000 . 1 . . . . . 10 GLU HB3 . 50424 1 73 . 1 . 1 10 10 GLU C C 13 177.217 0.019 . 1 . . . . . 10 GLU C . 50424 1 74 . 1 . 1 10 10 GLU CA C 13 58.197 0.067 . 1 . . . . . 10 GLU CA . 50424 1 75 . 1 . 1 10 10 GLU CB C 13 29.419 0.005 . 1 . . . . . 10 GLU CB . 50424 1 76 . 1 . 1 10 10 GLU N N 15 118.517 0.059 . 1 . . . . . 10 GLU N . 50424 1 77 . 1 . 1 11 11 GLN H H 1 7.363 0.003 . 1 . . . . . 11 GLN H . 50424 1 78 . 1 . 1 11 11 GLN HA H 1 4.220 0.000 . 1 . . . . . 11 GLN HA . 50424 1 79 . 1 . 1 11 11 GLN HB2 H 1 2.251 0.000 . 2 . . . . . 11 GLN HB2 . 50424 1 80 . 1 . 1 11 11 GLN HB3 H 1 1.963 0.000 . 2 . . . . . 11 GLN HB3 . 50424 1 81 . 1 . 1 11 11 GLN C C 13 176.652 0.003 . 1 . . . . . 11 GLN C . 50424 1 82 . 1 . 1 11 11 GLN CA C 13 55.422 0.037 . 1 . . . . . 11 GLN CA . 50424 1 83 . 1 . 1 11 11 GLN CB C 13 29.308 0.025 . 1 . . . . . 11 GLN CB . 50424 1 84 . 1 . 1 11 11 GLN N N 15 114.601 0.030 . 1 . . . . . 11 GLN N . 50424 1 85 . 1 . 1 12 12 LEU H H 1 7.381 0.002 . 1 . . . . . 12 LEU H . 50424 1 86 . 1 . 1 12 12 LEU HA H 1 4.414 0.000 . 1 . . . . . 12 LEU HA . 50424 1 87 . 1 . 1 12 12 LEU HB2 H 1 1.851 0.000 . 2 . . . . . 12 LEU HB2 . 50424 1 88 . 1 . 1 12 12 LEU HB3 H 1 1.336 0.000 . 2 . . . . . 12 LEU HB3 . 50424 1 89 . 1 . 1 12 12 LEU C C 13 178.049 0.005 . 1 . . . . . 12 LEU C . 50424 1 90 . 1 . 1 12 12 LEU CA C 13 55.131 0.016 . 1 . . . . . 12 LEU CA . 50424 1 91 . 1 . 1 12 12 LEU CB C 13 43.164 0.055 . 1 . . . . . 12 LEU CB . 50424 1 92 . 1 . 1 12 12 LEU N N 15 120.701 0.019 . 1 . . . . . 12 LEU N . 50424 1 93 . 1 . 1 13 13 THR H H 1 8.932 0.002 . 1 . . . . . 13 THR H . 50424 1 94 . 1 . 1 13 13 THR HA H 1 4.744 0.000 . 1 . . . . . 13 THR HA . 50424 1 95 . 1 . 1 13 13 THR HB H 1 4.341 0.000 . 1 . . . . . 13 THR HB . 50424 1 96 . 1 . 1 13 13 THR C C 13 175.544 0.002 . 1 . . . . . 13 THR C . 50424 1 97 . 1 . 1 13 13 THR CA C 13 60.623 0.090 . 1 . . . . . 13 THR CA . 50424 1 98 . 1 . 1 13 13 THR CB C 13 71.122 0.063 . 1 . . . . . 13 THR CB . 50424 1 99 . 1 . 1 13 13 THR N N 15 113.737 0.031 . 1 . . . . . 13 THR N . 50424 1 100 . 1 . 1 14 14 GLU H H 1 9.022 0.002 . 1 . . . . . 14 GLU H . 50424 1 101 . 1 . 1 14 14 GLU HA H 1 3.877 0.000 . 1 . . . . . 14 GLU HA . 50424 1 102 . 1 . 1 14 14 GLU HB2 H 1 1.973 0.000 . 1 . . . . . 14 GLU HB2 . 50424 1 103 . 1 . 1 14 14 GLU HB3 H 1 1.973 0.000 . 1 . . . . . 14 GLU HB3 . 50424 1 104 . 1 . 1 14 14 GLU C C 13 178.550 0.009 . 1 . . . . . 14 GLU C . 50424 1 105 . 1 . 1 14 14 GLU CA C 13 59.696 0.051 . 1 . . . . . 14 GLU CA . 50424 1 106 . 1 . 1 14 14 GLU CB C 13 29.231 0.056 . 1 . . . . . 14 GLU CB . 50424 1 107 . 1 . 1 14 14 GLU N N 15 121.523 0.026 . 1 . . . . . 14 GLU N . 50424 1 108 . 1 . 1 15 15 GLU H H 1 8.613 0.003 . 1 . . . . . 15 GLU H . 50424 1 109 . 1 . 1 15 15 GLU HA H 1 3.963 0.000 . 1 . . . . . 15 GLU HA . 50424 1 110 . 1 . 1 15 15 GLU HB2 H 1 1.985 0.000 . 2 . . . . . 15 GLU HB2 . 50424 1 111 . 1 . 1 15 15 GLU HB3 H 1 1.859 0.000 . 2 . . . . . 15 GLU HB3 . 50424 1 112 . 1 . 1 15 15 GLU C C 13 179.473 0.005 . 1 . . . . . 15 GLU C . 50424 1 113 . 1 . 1 15 15 GLU CA C 13 60.274 0.012 . 1 . . . . . 15 GLU CA . 50424 1 114 . 1 . 1 15 15 GLU CB C 13 29.088 0.013 . 1 . . . . . 15 GLU CB . 50424 1 115 . 1 . 1 15 15 GLU N N 15 117.650 0.022 . 1 . . . . . 15 GLU N . 50424 1 116 . 1 . 1 16 16 GLN H H 1 7.864 0.002 . 1 . . . . . 16 GLN H . 50424 1 117 . 1 . 1 16 16 GLN HA H 1 3.778 0.000 . 1 . . . . . 16 GLN HA . 50424 1 118 . 1 . 1 16 16 GLN HB2 H 1 2.238 0.000 . 2 . . . . . 16 GLN HB2 . 50424 1 119 . 1 . 1 16 16 GLN HB3 H 1 1.541 0.000 . 2 . . . . . 16 GLN HB3 . 50424 1 120 . 1 . 1 16 16 GLN C C 13 178.603 0.008 . 1 . . . . . 16 GLN C . 50424 1 121 . 1 . 1 16 16 GLN CA C 13 58.652 0.037 . 1 . . . . . 16 GLN CA . 50424 1 122 . 1 . 1 16 16 GLN CB C 13 29.578 0.073 . 1 . . . . . 16 GLN CB . 50424 1 123 . 1 . 1 16 16 GLN N N 15 119.478 0.035 . 1 . . . . . 16 GLN N . 50424 1 124 . 1 . 1 17 17 LYS H H 1 8.502 0.003 . 1 . . . . . 17 LYS H . 50424 1 125 . 1 . 1 17 17 LYS HA H 1 3.895 0.000 . 1 . . . . . 17 LYS HA . 50424 1 126 . 1 . 1 17 17 LYS HB2 H 1 1.943 0.000 . 1 . . . . . 17 LYS HB2 . 50424 1 127 . 1 . 1 17 17 LYS HB3 H 1 1.943 0.000 . 1 . . . . . 17 LYS HB3 . 50424 1 128 . 1 . 1 17 17 LYS C C 13 174.503 0.000 . 1 . . . . . 17 LYS C . 50424 1 129 . 1 . 1 17 17 LYS CA C 13 61.705 0.040 . 1 . . . . . 17 LYS CA . 50424 1 130 . 1 . 1 17 17 LYS CB C 13 32.068 0.049 . 1 . . . . . 17 LYS CB . 50424 1 131 . 1 . 1 17 17 LYS N N 15 118.640 0.049 . 1 . . . . . 17 LYS N . 50424 1 132 . 1 . 1 18 18 ASN H H 1 8.566 0.002 . 1 . . . . . 18 ASN H . 50424 1 133 . 1 . 1 18 18 ASN HA H 1 4.474 0.000 . 1 . . . . . 18 ASN HA . 50424 1 134 . 1 . 1 18 18 ASN HB2 H 1 2.890 0.000 . 2 . . . . . 18 ASN HB2 . 50424 1 135 . 1 . 1 18 18 ASN HB3 H 1 2.746 0.000 . 2 . . . . . 18 ASN HB3 . 50424 1 136 . 1 . 1 18 18 ASN C C 13 178.562 0.009 . 1 . . . . . 18 ASN C . 50424 1 137 . 1 . 1 18 18 ASN CA C 13 54.417 1.473 . 1 . . . . . 18 ASN CA . 50424 1 138 . 1 . 1 18 18 ASN CB C 13 37.727 0.000 . 1 . . . . . 18 ASN CB . 50424 1 139 . 1 . 1 18 18 ASN N N 15 117.790 0.067 . 1 . . . . . 18 ASN N . 50424 1 140 . 1 . 1 19 19 GLU H H 1 8.039 0.002 . 1 . . . . . 19 GLU H . 50424 1 141 . 1 . 1 19 19 GLU HA H 1 4.087 0.000 . 1 . . . . . 19 GLU HA . 50424 1 142 . 1 . 1 19 19 GLU HB2 H 1 2.003 0.000 . 2 . . . . . 19 GLU HB2 . 50424 1 143 . 1 . 1 19 19 GLU HB3 H 1 1.886 0.000 . 2 . . . . . 19 GLU HB3 . 50424 1 144 . 1 . 1 19 19 GLU C C 13 180.078 0.006 . 1 . . . . . 19 GLU C . 50424 1 145 . 1 . 1 19 19 GLU CA C 13 59.450 0.047 . 1 . . . . . 19 GLU CA . 50424 1 146 . 1 . 1 19 19 GLU CB C 13 29.179 0.005 . 1 . . . . . 19 GLU CB . 50424 1 147 . 1 . 1 19 19 GLU N N 15 123.180 0.061 . 1 . . . . . 19 GLU N . 50424 1 148 . 1 . 1 20 20 PHE H H 1 8.400 0.002 . 1 . . . . . 20 PHE H . 50424 1 149 . 1 . 1 20 20 PHE HA H 1 4.955 0.000 . 1 . . . . . 20 PHE HA . 50424 1 150 . 1 . 1 20 20 PHE HB2 H 1 3.433 0.000 . 1 . . . . . 20 PHE HB2 . 50424 1 151 . 1 . 1 20 20 PHE HB3 H 1 3.433 0.000 . 1 . . . . . 20 PHE HB3 . 50424 1 152 . 1 . 1 20 20 PHE C C 13 178.301 0.003 . 1 . . . . . 20 PHE C . 50424 1 153 . 1 . 1 20 20 PHE CA C 13 58.916 0.031 . 1 . . . . . 20 PHE CA . 50424 1 154 . 1 . 1 20 20 PHE CB C 13 37.831 0.095 . 1 . . . . . 20 PHE CB . 50424 1 155 . 1 . 1 20 20 PHE N N 15 119.242 0.032 . 1 . . . . . 20 PHE N . 50424 1 156 . 1 . 1 21 21 LYS H H 1 9.008 0.002 . 1 . . . . . 21 LYS H . 50424 1 157 . 1 . 1 21 21 LYS HA H 1 3.897 0.000 . 1 . . . . . 21 LYS HA . 50424 1 158 . 1 . 1 21 21 LYS HB2 H 1 1.955 0.000 . 2 . . . . . 21 LYS HB2 . 50424 1 159 . 1 . 1 21 21 LYS HB3 H 1 1.704 0.000 . 2 . . . . . 21 LYS HB3 . 50424 1 160 . 1 . 1 21 21 LYS C C 13 176.914 0.002 . 1 . . . . . 21 LYS C . 50424 1 161 . 1 . 1 21 21 LYS CA C 13 58.690 0.029 . 1 . . . . . 21 LYS CA . 50424 1 162 . 1 . 1 21 21 LYS CB C 13 34.863 2.889 . 1 . . . . . 21 LYS CB . 50424 1 163 . 1 . 1 21 21 LYS N N 15 122.344 0.036 . 1 . . . . . 21 LYS N . 50424 1 164 . 1 . 1 22 22 ALA H H 1 7.870 0.002 . 1 . . . . . 22 ALA H . 50424 1 165 . 1 . 1 22 22 ALA HB1 H 1 1.444 0.000 . 1 . . . . . 22 ALA HB1 . 50424 1 166 . 1 . 1 22 22 ALA HB2 H 1 1.444 0.000 . 1 . . . . . 22 ALA HB2 . 50424 1 167 . 1 . 1 22 22 ALA HB3 H 1 1.444 0.000 . 1 . . . . . 22 ALA HB3 . 50424 1 168 . 1 . 1 22 22 ALA C C 13 180.347 0.000 . 1 . . . . . 22 ALA C . 50424 1 169 . 1 . 1 22 22 ALA CA C 13 54.878 0.010 . 1 . . . . . 22 ALA CA . 50424 1 170 . 1 . 1 22 22 ALA CB C 13 17.562 0.020 . 1 . . . . . 22 ALA CB . 50424 1 171 . 1 . 1 22 22 ALA N N 15 120.336 0.028 . 1 . . . . . 22 ALA N . 50424 1 172 . 1 . 1 23 23 ALA H H 1 7.501 0.006 . 1 . . . . . 23 ALA H . 50424 1 173 . 1 . 1 23 23 ALA HA H 1 4.080 0.000 . 1 . . . . . 23 ALA HA . 50424 1 174 . 1 . 1 23 23 ALA HB1 H 1 1.703 0.000 . 1 . . . . . 23 ALA HB1 . 50424 1 175 . 1 . 1 23 23 ALA HB2 H 1 1.703 0.000 . 1 . . . . . 23 ALA HB2 . 50424 1 176 . 1 . 1 23 23 ALA HB3 H 1 1.703 0.000 . 1 . . . . . 23 ALA HB3 . 50424 1 177 . 1 . 1 23 23 ALA C C 13 178.212 0.003 . 1 . . . . . 23 ALA C . 50424 1 178 . 1 . 1 23 23 ALA CA C 13 54.647 0.041 . 1 . . . . . 23 ALA CA . 50424 1 179 . 1 . 1 23 23 ALA CB C 13 17.984 0.000 . 1 . . . . . 23 ALA CB . 50424 1 180 . 1 . 1 23 23 ALA N N 15 119.055 0.059 . 1 . . . . . 23 ALA N . 50424 1 181 . 1 . 1 24 24 PHE H H 1 8.553 0.003 . 1 . . . . . 24 PHE H . 50424 1 182 . 1 . 1 24 24 PHE HA H 1 4.288 0.000 . 1 . . . . . 24 PHE HA . 50424 1 183 . 1 . 1 24 24 PHE HB2 H 1 3.452 0.000 . 2 . . . . . 24 PHE HB2 . 50424 1 184 . 1 . 1 24 24 PHE HB3 H 1 3.081 0.000 . 2 . . . . . 24 PHE HB3 . 50424 1 185 . 1 . 1 24 24 PHE C C 13 176.502 0.003 . 1 . . . . . 24 PHE C . 50424 1 186 . 1 . 1 24 24 PHE CB C 13 39.971 0.011 . 1 . . . . . 24 PHE CB . 50424 1 187 . 1 . 1 24 24 PHE N N 15 119.633 0.018 . 1 . . . . . 24 PHE N . 50424 1 188 . 1 . 1 25 25 ASP H H 1 8.693 0.004 . 1 . . . . . 25 ASP H . 50424 1 189 . 1 . 1 25 25 ASP HA H 1 4.179 0.000 . 1 . . . . . 25 ASP HA . 50424 1 190 . 1 . 1 25 25 ASP HB2 H 1 2.633 0.000 . 2 . . . . . 25 ASP HB2 . 50424 1 191 . 1 . 1 25 25 ASP HB3 H 1 2.397 0.000 . 2 . . . . . 25 ASP HB3 . 50424 1 192 . 1 . 1 25 25 ASP C C 13 179.188 0.015 . 1 . . . . . 25 ASP C . 50424 1 193 . 1 . 1 25 25 ASP CA C 13 56.752 0.024 . 1 . . . . . 25 ASP CA . 50424 1 194 . 1 . 1 25 25 ASP CB C 13 40.032 0.026 . 1 . . . . . 25 ASP CB . 50424 1 195 . 1 . 1 25 25 ASP N N 15 116.051 0.087 . 1 . . . . . 25 ASP N . 50424 1 196 . 1 . 1 26 26 ILE H H 1 7.183 0.003 . 1 . . . . . 26 ILE H . 50424 1 197 . 1 . 1 26 26 ILE HA H 1 3.602 0.000 . 1 . . . . . 26 ILE HA . 50424 1 198 . 1 . 1 26 26 ILE HB H 1 1.699 0.000 . 1 . . . . . 26 ILE HB . 50424 1 199 . 1 . 1 26 26 ILE C C 13 178.376 0.006 . 1 . . . . . 26 ILE C . 50424 1 200 . 1 . 1 26 26 ILE CA C 13 63.846 0.123 . 1 . . . . . 26 ILE CA . 50424 1 201 . 1 . 1 26 26 ILE CB C 13 37.334 0.027 . 1 . . . . . 26 ILE CB . 50424 1 202 . 1 . 1 26 26 ILE N N 15 119.166 0.037 . 1 . . . . . 26 ILE N . 50424 1 203 . 1 . 1 27 27 PHE H H 1 7.628 0.007 . 1 . . . . . 27 PHE H . 50424 1 204 . 1 . 1 27 27 PHE HA H 1 4.346 0.000 . 1 . . . . . 27 PHE HA . 50424 1 205 . 1 . 1 27 27 PHE HB2 H 1 2.951 0.000 . 2 . . . . . 27 PHE HB2 . 50424 1 206 . 1 . 1 27 27 PHE HB3 H 1 3.259 0.000 . 2 . . . . . 27 PHE HB3 . 50424 1 207 . 1 . 1 27 27 PHE C C 13 177.231 0.000 . 1 . . . . . 27 PHE C . 50424 1 208 . 1 . 1 27 27 PHE CA C 13 59.352 0.000 . 1 . . . . . 27 PHE CA . 50424 1 209 . 1 . 1 27 27 PHE CB C 13 39.051 0.000 . 1 . . . . . 27 PHE CB . 50424 1 210 . 1 . 1 27 27 PHE N N 15 118.768 0.055 . 1 . . . . . 27 PHE N . 50424 1 211 . 1 . 1 28 28 VAL H H 1 7.651 0.011 . 1 . . . . . 28 VAL H . 50424 1 212 . 1 . 1 28 28 VAL HA H 1 3.814 0.000 . 1 . . . . . 28 VAL HA . 50424 1 213 . 1 . 1 28 28 VAL HB H 1 1.782 0.000 . 1 . . . . . 28 VAL HB . 50424 1 214 . 1 . 1 28 28 VAL C C 13 176.635 0.000 . 1 . . . . . 28 VAL C . 50424 1 215 . 1 . 1 28 28 VAL CA C 13 62.271 0.064 . 1 . . . . . 28 VAL CA . 50424 1 216 . 1 . 1 28 28 VAL CB C 13 31.656 0.069 . 1 . . . . . 28 VAL CB . 50424 1 217 . 1 . 1 28 28 VAL N N 15 113.300 0.067 . 1 . . . . . 28 VAL N . 50424 1 218 . 1 . 1 29 29 LEU H H 1 7.414 0.004 . 1 . . . . . 29 LEU H . 50424 1 219 . 1 . 1 29 29 LEU HA H 1 3.982 0.000 . 1 . . . . . 29 LEU HA . 50424 1 220 . 1 . 1 29 29 LEU HB2 H 1 1.670 0.000 . 2 . . . . . 29 LEU HB2 . 50424 1 221 . 1 . 1 29 29 LEU HB3 H 1 1.516 0.000 . 2 . . . . . 29 LEU HB3 . 50424 1 222 . 1 . 1 29 29 LEU C C 13 178.354 0.005 . 1 . . . . . 29 LEU C . 50424 1 223 . 1 . 1 29 29 LEU CA C 13 56.807 0.017 . 1 . . . . . 29 LEU CA . 50424 1 224 . 1 . 1 29 29 LEU CB C 13 41.210 0.000 . 1 . . . . . 29 LEU CB . 50424 1 225 . 1 . 1 29 29 LEU N N 15 123.473 0.037 . 1 . . . . . 29 LEU N . 50424 1 226 . 1 . 1 30 30 GLY H H 1 8.534 0.004 . 1 . . . . . 30 GLY H . 50424 1 227 . 1 . 1 30 30 GLY HA2 H 1 3.886 0.000 . 2 . . . . . 30 GLY HA2 . 50424 1 228 . 1 . 1 30 30 GLY HA3 H 1 3.747 0.000 . 2 . . . . . 30 GLY HA3 . 50424 1 229 . 1 . 1 30 30 GLY C C 13 174.059 0.010 . 1 . . . . . 30 GLY C . 50424 1 230 . 1 . 1 30 30 GLY CA C 13 45.282 0.073 . 1 . . . . . 30 GLY CA . 50424 1 231 . 1 . 1 30 30 GLY N N 15 109.637 0.042 . 1 . . . . . 30 GLY N . 50424 1 232 . 1 . 1 31 31 ALA H H 1 7.863 0.002 . 1 . . . . . 31 ALA H . 50424 1 233 . 1 . 1 31 31 ALA HA H 1 4.336 0.000 . 1 . . . . . 31 ALA HA . 50424 1 234 . 1 . 1 31 31 ALA HB1 H 1 1.433 0.000 . 1 . . . . . 31 ALA HB1 . 50424 1 235 . 1 . 1 31 31 ALA HB2 H 1 1.433 0.000 . 1 . . . . . 31 ALA HB2 . 50424 1 236 . 1 . 1 31 31 ALA HB3 H 1 1.433 0.000 . 1 . . . . . 31 ALA HB3 . 50424 1 237 . 1 . 1 31 31 ALA C C 13 179.104 0.009 . 1 . . . . . 31 ALA C . 50424 1 238 . 1 . 1 31 31 ALA CA C 13 52.247 0.161 . 1 . . . . . 31 ALA CA . 50424 1 239 . 1 . 1 31 31 ALA CB C 13 19.443 0.000 . 1 . . . . . 31 ALA CB . 50424 1 240 . 1 . 1 31 31 ALA N N 15 124.009 0.030 . 1 . . . . . 31 ALA N . 50424 1 241 . 1 . 1 32 32 GLU H H 1 8.962 0.003 . 1 . . . . . 32 GLU H . 50424 1 242 . 1 . 1 32 32 GLU HA H 1 4.039 0.000 . 1 . . . . . 32 GLU HA . 50424 1 243 . 1 . 1 32 32 GLU HB2 H 1 1.974 0.000 . 1 . . . . . 32 GLU HB2 . 50424 1 244 . 1 . 1 32 32 GLU HB3 H 1 1.974 0.000 . 1 . . . . . 32 GLU HB3 . 50424 1 245 . 1 . 1 32 32 GLU C C 13 176.945 0.000 . 1 . . . . . 32 GLU C . 50424 1 246 . 1 . 1 32 32 GLU CA C 13 58.551 0.039 . 1 . . . . . 32 GLU CA . 50424 1 247 . 1 . 1 32 32 GLU CB C 13 29.770 0.000 . 1 . . . . . 32 GLU CB . 50424 1 248 . 1 . 1 32 32 GLU N N 15 123.986 0.064 . 1 . . . . . 32 GLU N . 50424 1 249 . 1 . 1 33 33 ASP H H 1 8.267 0.002 . 1 . . . . . 33 ASP H . 50424 1 250 . 1 . 1 33 33 ASP HA H 1 4.550 0.000 . 1 . . . . . 33 ASP HA . 50424 1 251 . 1 . 1 33 33 ASP HB2 H 1 2.860 0.000 . 2 . . . . . 33 ASP HB2 . 50424 1 252 . 1 . 1 33 33 ASP HB3 H 1 2.603 0.000 . 2 . . . . . 33 ASP HB3 . 50424 1 253 . 1 . 1 33 33 ASP C C 13 177.412 0.005 . 1 . . . . . 33 ASP C . 50424 1 254 . 1 . 1 33 33 ASP CA C 13 53.382 0.057 . 1 . . . . . 33 ASP CA . 50424 1 255 . 1 . 1 33 33 ASP CB C 13 40.717 0.074 . 1 . . . . . 33 ASP CB . 50424 1 256 . 1 . 1 33 33 ASP N N 15 116.370 0.049 . 1 . . . . . 33 ASP N . 50424 1 257 . 1 . 1 34 34 GLY H H 1 7.867 0.004 . 1 . . . . . 34 GLY H . 50424 1 258 . 1 . 1 34 34 GLY HA2 H 1 3.902 0.000 . 2 . . . . . 34 GLY HA2 . 50424 1 259 . 1 . 1 34 34 GLY HA3 H 1 3.805 0.000 . 2 . . . . . 34 GLY HA3 . 50424 1 260 . 1 . 1 34 34 GLY C C 13 173.078 0.000 . 1 . . . . . 34 GLY C . 50424 1 261 . 1 . 1 34 34 GLY CA C 13 46.505 0.054 . 1 . . . . . 34 GLY CA . 50424 1 262 . 1 . 1 34 34 GLY N N 15 106.349 0.021 . 1 . . . . . 34 GLY N . 50424 1 263 . 1 . 1 35 35 CYS H H 1 7.609 0.002 . 1 . . . . . 35 CYS H . 50424 1 264 . 1 . 1 35 35 CYS C C 13 172.980 0.000 . 1 . . . . . 35 CYS C . 50424 1 265 . 1 . 1 35 35 CYS CA C 13 57.204 0.000 . 1 . . . . . 35 CYS CA . 50424 1 266 . 1 . 1 35 35 CYS CB C 13 31.270 0.000 . 1 . . . . . 35 CYS CB . 50424 1 267 . 1 . 1 35 35 CYS N N 15 114.325 0.028 . 1 . . . . . 35 CYS N . 50424 1 268 . 1 . 1 37 37 SER H H 1 9.116 0.003 . 1 . . . . . 37 SER H . 50424 1 269 . 1 . 1 37 37 SER C C 13 177.130 0.015 . 1 . . . . . 37 SER C . 50424 1 270 . 1 . 1 37 37 SER CA C 13 58.016 0.000 . 1 . . . . . 37 SER CA . 50424 1 271 . 1 . 1 37 37 SER CB C 13 63.972 0.000 . 1 . . . . . 37 SER CB . 50424 1 272 . 1 . 1 37 37 SER N N 15 122.596 0.037 . 1 . . . . . 37 SER N . 50424 1 273 . 1 . 1 38 38 THR H H 1 8.547 0.016 . 1 . . . . . 38 THR H . 50424 1 274 . 1 . 1 38 38 THR HA H 1 4.165 0.000 . 1 . . . . . 38 THR HA . 50424 1 275 . 1 . 1 38 38 THR HB H 1 3.655 0.000 . 1 . . . . . 38 THR HB . 50424 1 276 . 1 . 1 38 38 THR C C 13 176.542 0.000 . 1 . . . . . 38 THR C . 50424 1 277 . 1 . 1 38 38 THR CA C 13 65.790 0.023 . 1 . . . . . 38 THR CA . 50424 1 278 . 1 . 1 38 38 THR CB C 13 67.362 0.095 . 1 . . . . . 38 THR CB . 50424 1 279 . 1 . 1 38 38 THR N N 15 117.040 0.128 . 1 . . . . . 38 THR N . 50424 1 280 . 1 . 1 39 39 LYS H H 1 8.010 0.003 . 1 . . . . . 39 LYS H . 50424 1 281 . 1 . 1 39 39 LYS HA H 1 4.059 0.000 . 1 . . . . . 39 LYS HA . 50424 1 282 . 1 . 1 39 39 LYS HB2 H 1 1.767 0.000 . 1 . . . . . 39 LYS HB2 . 50424 1 283 . 1 . 1 39 39 LYS HB3 H 1 1.767 0.000 . 1 . . . . . 39 LYS HB3 . 50424 1 284 . 1 . 1 39 39 LYS C C 13 178.211 0.004 . 1 . . . . . 39 LYS C . 50424 1 285 . 1 . 1 39 39 LYS CA C 13 58.444 0.065 . 1 . . . . . 39 LYS CA . 50424 1 286 . 1 . 1 39 39 LYS CB C 13 32.162 0.064 . 1 . . . . . 39 LYS CB . 50424 1 287 . 1 . 1 39 39 LYS N N 15 119.942 0.044 . 1 . . . . . 39 LYS N . 50424 1 288 . 1 . 1 40 40 GLU H H 1 7.684 0.003 . 1 . . . . . 40 GLU H . 50424 1 289 . 1 . 1 40 40 GLU C C 13 177.292 0.004 . 1 . . . . . 40 GLU C . 50424 1 290 . 1 . 1 40 40 GLU CA C 13 56.300 0.043 . 1 . . . . . 40 GLU CA . 50424 1 291 . 1 . 1 40 40 GLU CB C 13 29.861 0.000 . 1 . . . . . 40 GLU CB . 50424 1 292 . 1 . 1 40 40 GLU N N 15 117.062 0.029 . 1 . . . . . 40 GLU N . 50424 1 293 . 1 . 1 41 41 LEU H H 1 7.612 0.004 . 1 . . . . . 41 LEU H . 50424 1 294 . 1 . 1 41 41 LEU HA H 1 3.768 0.000 . 1 . . . . . 41 LEU HA . 50424 1 295 . 1 . 1 41 41 LEU HB2 H 1 1.467 0.000 . 1 . . . . . 41 LEU HB2 . 50424 1 296 . 1 . 1 41 41 LEU HB3 H 1 1.467 0.000 . 1 . . . . . 41 LEU HB3 . 50424 1 297 . 1 . 1 41 41 LEU C C 13 178.173 0.030 . 1 . . . . . 41 LEU C . 50424 1 298 . 1 . 1 41 41 LEU CA C 13 57.533 0.064 . 1 . . . . . 41 LEU CA . 50424 1 299 . 1 . 1 41 41 LEU CB C 13 42.005 0.018 . 1 . . . . . 41 LEU CB . 50424 1 300 . 1 . 1 41 41 LEU N N 15 119.493 0.061 . 1 . . . . . 41 LEU N . 50424 1 301 . 1 . 1 42 42 GLY H H 1 8.717 0.004 . 1 . . . . . 42 GLY H . 50424 1 302 . 1 . 1 42 42 GLY HA2 H 1 3.774 0.000 . 2 . . . . . 42 GLY HA2 . 50424 1 303 . 1 . 1 42 42 GLY HA3 H 1 3.420 0.000 . 2 . . . . . 42 GLY HA3 . 50424 1 304 . 1 . 1 42 42 GLY C C 13 175.529 0.014 . 1 . . . . . 42 GLY C . 50424 1 305 . 1 . 1 42 42 GLY CA C 13 47.822 0.077 . 1 . . . . . 42 GLY CA . 50424 1 306 . 1 . 1 42 42 GLY N N 15 107.194 0.035 . 1 . . . . . 42 GLY N . 50424 1 307 . 1 . 1 43 43 LYS H H 1 7.431 0.003 . 1 . . . . . 43 LYS H . 50424 1 308 . 1 . 1 43 43 LYS HA H 1 3.916 0.000 . 1 . . . . . 43 LYS HA . 50424 1 309 . 1 . 1 43 43 LYS HB2 H 1 1.829 0.000 . 1 . . . . . 43 LYS HB2 . 50424 1 310 . 1 . 1 43 43 LYS HB3 H 1 1.829 0.000 . 1 . . . . . 43 LYS HB3 . 50424 1 311 . 1 . 1 43 43 LYS C C 13 179.088 0.016 . 1 . . . . . 43 LYS C . 50424 1 312 . 1 . 1 43 43 LYS CA C 13 59.435 0.022 . 1 . . . . . 43 LYS CA . 50424 1 313 . 1 . 1 43 43 LYS CB C 13 32.234 0.075 . 1 . . . . . 43 LYS CB . 50424 1 314 . 1 . 1 43 43 LYS N N 15 121.476 0.045 . 1 . . . . . 43 LYS N . 50424 1 315 . 1 . 1 44 44 VAL H H 1 7.481 0.001 . 1 . . . . . 44 VAL H . 50424 1 316 . 1 . 1 44 44 VAL HA H 1 3.282 0.000 . 1 . . . . . 44 VAL HA . 50424 1 317 . 1 . 1 44 44 VAL HB H 1 1.911 0.000 . 1 . . . . . 44 VAL HB . 50424 1 318 . 1 . 1 44 44 VAL C C 13 177.354 0.004 . 1 . . . . . 44 VAL C . 50424 1 319 . 1 . 1 44 44 VAL CA C 13 65.819 0.056 . 1 . . . . . 44 VAL CA . 50424 1 320 . 1 . 1 44 44 VAL CB C 13 31.460 0.029 . 1 . . . . . 44 VAL CB . 50424 1 321 . 1 . 1 44 44 VAL N N 15 119.963 0.045 . 1 . . . . . 44 VAL N . 50424 1 322 . 1 . 1 45 45 MET H H 1 8.195 0.002 . 1 . . . . . 45 MET H . 50424 1 323 . 1 . 1 45 45 MET HA H 1 4.047 0.000 . 1 . . . . . 45 MET HA . 50424 1 324 . 1 . 1 45 45 MET HB2 H 1 1.990 0.000 . 2 . . . . . 45 MET HB2 . 50424 1 325 . 1 . 1 45 45 MET HB3 H 1 1.524 0.000 . 2 . . . . . 45 MET HB3 . 50424 1 326 . 1 . 1 45 45 MET C C 13 178.861 0.019 . 1 . . . . . 45 MET C . 50424 1 327 . 1 . 1 45 45 MET CA C 13 57.783 0.056 . 1 . . . . . 45 MET CA . 50424 1 328 . 1 . 1 45 45 MET CB C 13 30.861 0.013 . 1 . . . . . 45 MET CB . 50424 1 329 . 1 . 1 45 45 MET N N 15 115.690 0.035 . 1 . . . . . 45 MET N . 50424 1 330 . 1 . 1 46 46 ARG H H 1 7.937 0.004 . 1 . . . . . 46 ARG H . 50424 1 331 . 1 . 1 46 46 ARG HA H 1 4.484 0.000 . 1 . . . . . 46 ARG HA . 50424 1 332 . 1 . 1 46 46 ARG HB2 H 1 1.855 0.000 . 1 . . . . . 46 ARG HB2 . 50424 1 333 . 1 . 1 46 46 ARG HB3 H 1 1.855 0.000 . 1 . . . . . 46 ARG HB3 . 50424 1 334 . 1 . 1 46 46 ARG C C 13 181.296 0.018 . 1 . . . . . 46 ARG C . 50424 1 335 . 1 . 1 46 46 ARG CA C 13 59.089 0.041 . 1 . . . . . 46 ARG CA . 50424 1 336 . 1 . 1 46 46 ARG CB C 13 29.815 0.026 . 1 . . . . . 46 ARG CB . 50424 1 337 . 1 . 1 46 46 ARG N N 15 119.157 0.031 . 1 . . . . . 46 ARG N . 50424 1 338 . 1 . 1 47 47 MET H H 1 8.025 0.002 . 1 . . . . . 47 MET H . 50424 1 339 . 1 . 1 47 47 MET HA H 1 4.211 0.000 . 1 . . . . . 47 MET HA . 50424 1 340 . 1 . 1 47 47 MET C C 13 177.739 0.017 . 1 . . . . . 47 MET C . 50424 1 341 . 1 . 1 47 47 MET CA C 13 58.845 0.046 . 1 . . . . . 47 MET CA . 50424 1 342 . 1 . 1 47 47 MET CB C 13 32.343 0.008 . 1 . . . . . 47 MET CB . 50424 1 343 . 1 . 1 47 47 MET N N 15 121.918 0.048 . 1 . . . . . 47 MET N . 50424 1 344 . 1 . 1 48 48 LEU H H 1 7.600 0.003 . 1 . . . . . 48 LEU H . 50424 1 345 . 1 . 1 48 48 LEU HA H 1 4.426 0.000 . 1 . . . . . 48 LEU HA . 50424 1 346 . 1 . 1 48 48 LEU HB2 H 1 1.804 0.000 . 2 . . . . . 48 LEU HB2 . 50424 1 347 . 1 . 1 48 48 LEU HB3 H 1 1.582 0.000 . 2 . . . . . 48 LEU HB3 . 50424 1 348 . 1 . 1 48 48 LEU C C 13 177.066 0.045 . 1 . . . . . 48 LEU C . 50424 1 349 . 1 . 1 48 48 LEU CA C 13 54.656 0.040 . 1 . . . . . 48 LEU CA . 50424 1 350 . 1 . 1 48 48 LEU CB C 13 42.096 0.035 . 1 . . . . . 48 LEU CB . 50424 1 351 . 1 . 1 48 48 LEU N N 15 118.061 0.041 . 1 . . . . . 48 LEU N . 50424 1 352 . 1 . 1 49 49 GLY H H 1 7.896 0.003 . 1 . . . . . 49 GLY H . 50424 1 353 . 1 . 1 49 49 GLY HA2 H 1 4.153 0.000 . 2 . . . . . 49 GLY HA2 . 50424 1 354 . 1 . 1 49 49 GLY HA3 H 1 3.750 0.000 . 2 . . . . . 49 GLY HA3 . 50424 1 355 . 1 . 1 49 49 GLY C C 13 174.290 0.013 . 1 . . . . . 49 GLY C . 50424 1 356 . 1 . 1 49 49 GLY CA C 13 45.839 0.087 . 1 . . . . . 49 GLY CA . 50424 1 357 . 1 . 1 49 49 GLY N N 15 107.459 0.037 . 1 . . . . . 49 GLY N . 50424 1 358 . 1 . 1 50 50 GLN H H 1 8.157 0.002 . 1 . . . . . 50 GLN H . 50424 1 359 . 1 . 1 50 50 GLN HA H 1 4.442 0.000 . 1 . . . . . 50 GLN HA . 50424 1 360 . 1 . 1 50 50 GLN HB2 H 1 2.058 0.000 . 2 . . . . . 50 GLN HB2 . 50424 1 361 . 1 . 1 50 50 GLN HB3 H 1 1.504 0.000 . 2 . . . . . 50 GLN HB3 . 50424 1 362 . 1 . 1 50 50 GLN C C 13 174.104 0.002 . 1 . . . . . 50 GLN C . 50424 1 363 . 1 . 1 50 50 GLN CA C 13 53.641 0.007 . 1 . . . . . 50 GLN CA . 50424 1 364 . 1 . 1 50 50 GLN CB C 13 30.660 0.086 . 1 . . . . . 50 GLN CB . 50424 1 365 . 1 . 1 50 50 GLN N N 15 118.341 0.042 . 1 . . . . . 50 GLN N . 50424 1 366 . 1 . 1 51 51 ASN H H 1 8.726 0.003 . 1 . . . . . 51 ASN H . 50424 1 367 . 1 . 1 51 51 ASN C C 13 171.620 0.000 . 1 . . . . . 51 ASN C . 50424 1 368 . 1 . 1 51 51 ASN CA C 13 51.168 0.000 . 1 . . . . . 51 ASN CA . 50424 1 369 . 1 . 1 51 51 ASN CB C 13 39.276 0.000 . 1 . . . . . 51 ASN CB . 50424 1 370 . 1 . 1 51 51 ASN N N 15 116.813 0.026 . 1 . . . . . 51 ASN N . 50424 1 371 . 1 . 1 52 52 PRO HA H 1 4.698 0.000 . 1 . . . . . 52 PRO HA . 50424 1 372 . 1 . 1 52 52 PRO HB2 H 1 2.064 0.000 . 2 . . . . . 52 PRO HB2 . 50424 1 373 . 1 . 1 52 52 PRO HB3 H 1 1.874 0.000 . 2 . . . . . 52 PRO HB3 . 50424 1 374 . 1 . 1 52 52 PRO C C 13 177.733 0.000 . 1 . . . . . 52 PRO C . 50424 1 375 . 1 . 1 52 52 PRO CA C 13 62.404 0.000 . 1 . . . . . 52 PRO CA . 50424 1 376 . 1 . 1 53 53 THR H H 1 8.838 0.003 . 1 . . . . . 53 THR H . 50424 1 377 . 1 . 1 53 53 THR C C 13 173.339 0.000 . 1 . . . . . 53 THR C . 50424 1 378 . 1 . 1 53 53 THR CA C 13 60.462 0.006 . 1 . . . . . 53 THR CA . 50424 1 379 . 1 . 1 53 53 THR CB C 13 67.996 0.000 . 1 . . . . . 53 THR CB . 50424 1 380 . 1 . 1 53 53 THR N N 15 114.296 0.038 . 1 . . . . . 53 THR N . 50424 1 381 . 1 . 1 54 54 PRO HA H 1 4.086 0.000 . 1 . . . . . 54 PRO HA . 50424 1 382 . 1 . 1 54 54 PRO HB2 H 1 2.311 0.000 . 2 . . . . . 54 PRO HB2 . 50424 1 383 . 1 . 1 54 54 PRO HB3 H 1 1.818 0.000 . 2 . . . . . 54 PRO HB3 . 50424 1 384 . 1 . 1 54 54 PRO C C 13 179.632 0.000 . 1 . . . . . 54 PRO C . 50424 1 385 . 1 . 1 54 54 PRO CA C 13 66.144 0.000 . 1 . . . . . 54 PRO CA . 50424 1 386 . 1 . 1 55 55 GLU H H 1 8.787 0.002 . 1 . . . . . 55 GLU H . 50424 1 387 . 1 . 1 55 55 GLU HA H 1 3.939 0.000 . 1 . . . . . 55 GLU HA . 50424 1 388 . 1 . 1 55 55 GLU HB2 H 1 1.985 0.000 . 2 . . . . . 55 GLU HB2 . 50424 1 389 . 1 . 1 55 55 GLU HB3 H 1 1.872 0.000 . 2 . . . . . 55 GLU HB3 . 50424 1 390 . 1 . 1 55 55 GLU C C 13 179.432 0.009 . 1 . . . . . 55 GLU C . 50424 1 391 . 1 . 1 55 55 GLU CA C 13 60.412 0.013 . 1 . . . . . 55 GLU CA . 50424 1 392 . 1 . 1 55 55 GLU CB C 13 28.807 0.025 . 1 . . . . . 55 GLU CB . 50424 1 393 . 1 . 1 55 55 GLU N N 15 117.483 0.032 . 1 . . . . . 55 GLU N . 50424 1 394 . 1 . 1 56 56 GLU H H 1 7.771 0.002 . 1 . . . . . 56 GLU H . 50424 1 395 . 1 . 1 56 56 GLU HA H 1 4.014 0.000 . 1 . . . . . 56 GLU HA . 50424 1 396 . 1 . 1 56 56 GLU HB2 H 1 2.368 0.000 . 2 . . . . . 56 GLU HB2 . 50424 1 397 . 1 . 1 56 56 GLU HB3 H 1 2.227 0.000 . 2 . . . . . 56 GLU HB3 . 50424 1 398 . 1 . 1 56 56 GLU CA C 13 58.721 0.073 . 1 . . . . . 56 GLU CA . 50424 1 399 . 1 . 1 56 56 GLU CB C 13 30.000 0.015 . 1 . . . . . 56 GLU CB . 50424 1 400 . 1 . 1 56 56 GLU N N 15 121.500 0.036 . 1 . . . . . 56 GLU N . 50424 1 401 . 1 . 1 57 57 LEU H H 1 8.988 0.003 . 1 . . . . . 57 LEU H . 50424 1 402 . 1 . 1 57 57 LEU HA H 1 3.897 0.000 . 1 . . . . . 57 LEU HA . 50424 1 403 . 1 . 1 57 57 LEU HB2 H 1 1.582 0.000 . 2 . . . . . 57 LEU HB2 . 50424 1 404 . 1 . 1 57 57 LEU HB3 H 1 1.501 0.000 . 2 . . . . . 57 LEU HB3 . 50424 1 405 . 1 . 1 57 57 LEU C C 13 178.184 0.000 . 1 . . . . . 57 LEU C . 50424 1 406 . 1 . 1 57 57 LEU CA C 13 57.726 0.032 . 1 . . . . . 57 LEU CA . 50424 1 407 . 1 . 1 57 57 LEU CB C 13 41.998 0.063 . 1 . . . . . 57 LEU CB . 50424 1 408 . 1 . 1 57 57 LEU N N 15 122.652 0.031 . 1 . . . . . 57 LEU N . 50424 1 409 . 1 . 1 58 58 GLN H H 1 7.812 0.004 . 1 . . . . . 58 GLN H . 50424 1 410 . 1 . 1 58 58 GLN HA H 1 3.747 0.000 . 1 . . . . . 58 GLN HA . 50424 1 411 . 1 . 1 58 58 GLN HB2 H 1 2.046 0.000 . 1 . . . . . 58 GLN HB2 . 50424 1 412 . 1 . 1 58 58 GLN HB3 H 1 2.046 0.000 . 1 . . . . . 58 GLN HB3 . 50424 1 413 . 1 . 1 58 58 GLN C C 13 177.501 0.006 . 1 . . . . . 58 GLN C . 50424 1 414 . 1 . 1 58 58 GLN CA C 13 58.387 0.017 . 1 . . . . . 58 GLN CA . 50424 1 415 . 1 . 1 58 58 GLN CB C 13 28.177 0.004 . 1 . . . . . 58 GLN CB . 50424 1 416 . 1 . 1 58 58 GLN N N 15 117.207 0.020 . 1 . . . . . 58 GLN N . 50424 1 417 . 1 . 1 59 59 GLU H H 1 7.593 0.003 . 1 . . . . . 59 GLU H . 50424 1 418 . 1 . 1 59 59 GLU HA H 1 3.997 0.000 . 1 . . . . . 59 GLU HA . 50424 1 419 . 1 . 1 59 59 GLU HB2 H 1 2.006 0.000 . 1 . . . . . 59 GLU HB2 . 50424 1 420 . 1 . 1 59 59 GLU HB3 H 1 2.006 0.000 . 1 . . . . . 59 GLU HB3 . 50424 1 421 . 1 . 1 59 59 GLU C C 13 178.518 0.002 . 1 . . . . . 59 GLU C . 50424 1 422 . 1 . 1 59 59 GLU CA C 13 59.288 0.018 . 1 . . . . . 59 GLU CA . 50424 1 423 . 1 . 1 59 59 GLU CB C 13 29.300 0.093 . 1 . . . . . 59 GLU CB . 50424 1 424 . 1 . 1 59 59 GLU N N 15 118.354 0.026 . 1 . . . . . 59 GLU N . 50424 1 425 . 1 . 1 60 60 MET H H 1 7.875 0.009 . 1 . . . . . 60 MET H . 50424 1 426 . 1 . 1 60 60 MET HA H 1 3.871 0.000 . 1 . . . . . 60 MET HA . 50424 1 427 . 1 . 1 60 60 MET HB2 H 1 1.961 0.000 . 2 . . . . . 60 MET HB2 . 50424 1 428 . 1 . 1 60 60 MET HB3 H 1 1.794 0.000 . 2 . . . . . 60 MET HB3 . 50424 1 429 . 1 . 1 60 60 MET C C 13 178.331 0.022 . 1 . . . . . 60 MET C . 50424 1 430 . 1 . 1 60 60 MET CA C 13 59.014 0.086 . 1 . . . . . 60 MET CA . 50424 1 431 . 1 . 1 60 60 MET CB C 13 33.045 0.001 . 1 . . . . . 60 MET CB . 50424 1 432 . 1 . 1 60 60 MET N N 15 117.998 0.092 . 1 . . . . . 60 MET N . 50424 1 433 . 1 . 1 61 61 ILE H H 1 8.194 0.007 . 1 . . . . . 61 ILE H . 50424 1 434 . 1 . 1 61 61 ILE HA H 1 3.170 0.000 . 1 . . . . . 61 ILE HA . 50424 1 435 . 1 . 1 61 61 ILE C C 13 177.189 0.004 . 1 . . . . . 61 ILE C . 50424 1 436 . 1 . 1 61 61 ILE CA C 13 66.184 0.011 . 1 . . . . . 61 ILE CA . 50424 1 437 . 1 . 1 61 61 ILE CB C 13 37.844 0.001 . 1 . . . . . 61 ILE CB . 50424 1 438 . 1 . 1 61 61 ILE N N 15 119.690 0.035 . 1 . . . . . 61 ILE N . 50424 1 439 . 1 . 1 62 62 ASP H H 1 8.016 0.004 . 1 . . . . . 62 ASP H . 50424 1 440 . 1 . 1 62 62 ASP HA H 1 4.252 0.000 . 1 . . . . . 62 ASP HA . 50424 1 441 . 1 . 1 62 62 ASP HB2 H 1 2.720 0.000 . 2 . . . . . 62 ASP HB2 . 50424 1 442 . 1 . 1 62 62 ASP HB3 H 1 2.604 0.000 . 2 . . . . . 62 ASP HB3 . 50424 1 443 . 1 . 1 62 62 ASP C C 13 178.340 0.000 . 1 . . . . . 62 ASP C . 50424 1 444 . 1 . 1 62 62 ASP CA C 13 56.948 0.000 . 1 . . . . . 62 ASP CA . 50424 1 445 . 1 . 1 62 62 ASP CB C 13 40.407 0.009 . 1 . . . . . 62 ASP CB . 50424 1 446 . 1 . 1 62 62 ASP N N 15 118.016 0.006 . 1 . . . . . 62 ASP N . 50424 1 447 . 1 . 1 63 63 GLU H H 1 7.625 0.003 . 1 . . . . . 63 GLU H . 50424 1 448 . 1 . 1 63 63 GLU C C 13 175.250 0.023 . 1 . . . . . 63 GLU C . 50424 1 449 . 1 . 1 63 63 GLU CA C 13 57.712 0.059 . 1 . . . . . 63 GLU CA . 50424 1 450 . 1 . 1 63 63 GLU CB C 13 30.623 0.053 . 1 . . . . . 63 GLU CB . 50424 1 451 . 1 . 1 63 63 GLU N N 15 116.346 0.030 . 1 . . . . . 63 GLU N . 50424 1 452 . 1 . 1 64 64 VAL H H 1 7.753 0.017 . 1 . . . . . 64 VAL H . 50424 1 453 . 1 . 1 64 64 VAL HA H 1 4.033 0.000 . 1 . . . . . 64 VAL HA . 50424 1 454 . 1 . 1 64 64 VAL C C 13 177.037 0.000 . 1 . . . . . 64 VAL C . 50424 1 455 . 1 . 1 64 64 VAL N N 15 117.525 0.049 . 1 . . . . . 64 VAL N . 50424 1 456 . 1 . 1 65 65 ASP H H 1 8.284 0.005 . 1 . . . . . 65 ASP H . 50424 1 457 . 1 . 1 65 65 ASP HA H 1 4.828 0.000 . 1 . . . . . 65 ASP HA . 50424 1 458 . 1 . 1 65 65 ASP HB2 H 1 2.886 0.000 . 2 . . . . . 65 ASP HB2 . 50424 1 459 . 1 . 1 65 65 ASP HB3 H 1 2.034 0.000 . 2 . . . . . 65 ASP HB3 . 50424 1 460 . 1 . 1 65 65 ASP C C 13 177.734 0.000 . 1 . . . . . 65 ASP C . 50424 1 461 . 1 . 1 65 65 ASP CA C 13 52.495 0.038 . 1 . . . . . 65 ASP CA . 50424 1 462 . 1 . 1 65 65 ASP CB C 13 38.850 0.074 . 1 . . . . . 65 ASP CB . 50424 1 463 . 1 . 1 65 65 ASP N N 15 119.664 0.032 . 1 . . . . . 65 ASP N . 50424 1 464 . 1 . 1 66 66 GLU H H 1 8.131 0.012 . 1 . . . . . 66 GLU H . 50424 1 465 . 1 . 1 66 66 GLU HA H 1 3.967 0.000 . 1 . . . . . 66 GLU HA . 50424 1 466 . 1 . 1 66 66 GLU HB2 H 1 2.072 0.000 . 1 . . . . . 66 GLU HB2 . 50424 1 467 . 1 . 1 66 66 GLU HB3 H 1 2.072 0.000 . 1 . . . . . 66 GLU HB3 . 50424 1 468 . 1 . 1 66 66 GLU C C 13 177.139 0.015 . 1 . . . . . 66 GLU C . 50424 1 469 . 1 . 1 66 66 GLU CA C 13 59.174 0.056 . 1 . . . . . 66 GLU CA . 50424 1 470 . 1 . 1 66 66 GLU CB C 13 30.495 0.019 . 1 . . . . . 66 GLU CB . 50424 1 471 . 1 . 1 66 66 GLU N N 15 126.670 0.068 . 1 . . . . . 66 GLU N . 50424 1 472 . 1 . 1 67 67 ASP H H 1 7.973 0.001 . 1 . . . . . 67 ASP H . 50424 1 473 . 1 . 1 67 67 ASP HA H 1 4.578 0.000 . 1 . . . . . 67 ASP HA . 50424 1 474 . 1 . 1 67 67 ASP HB2 H 1 3.024 0.000 . 2 . . . . . 67 ASP HB2 . 50424 1 475 . 1 . 1 67 67 ASP HB3 H 1 2.679 0.000 . 2 . . . . . 67 ASP HB3 . 50424 1 476 . 1 . 1 67 67 ASP C C 13 177.521 0.004 . 1 . . . . . 67 ASP C . 50424 1 477 . 1 . 1 67 67 ASP CA C 13 52.437 0.057 . 1 . . . . . 67 ASP CA . 50424 1 478 . 1 . 1 67 67 ASP CB C 13 39.794 0.070 . 1 . . . . . 67 ASP CB . 50424 1 479 . 1 . 1 67 67 ASP N N 15 113.614 0.028 . 1 . . . . . 67 ASP N . 50424 1 480 . 1 . 1 68 68 GLY H H 1 7.898 0.003 . 1 . . . . . 68 GLY H . 50424 1 481 . 1 . 1 68 68 GLY HA2 H 1 3.795 0.000 . 2 . . . . . 68 GLY HA2 . 50424 1 482 . 1 . 1 68 68 GLY HA3 H 1 3.722 0.000 . 2 . . . . . 68 GLY HA3 . 50424 1 483 . 1 . 1 68 68 GLY C C 13 175.287 0.012 . 1 . . . . . 68 GLY C . 50424 1 484 . 1 . 1 68 68 GLY CA C 13 47.098 0.059 . 1 . . . . . 68 GLY CA . 50424 1 485 . 1 . 1 68 68 GLY N N 15 109.120 0.023 . 1 . . . . . 68 GLY N . 50424 1 486 . 1 . 1 69 69 SER H H 1 8.457 0.003 . 1 . . . . . 69 SER H . 50424 1 487 . 1 . 1 69 69 SER HA H 1 4.137 0.000 . 1 . . . . . 69 SER HA . 50424 1 488 . 1 . 1 69 69 SER HB2 H 1 3.870 0.000 . 1 . . . . . 69 SER HB2 . 50424 1 489 . 1 . 1 69 69 SER HB3 H 1 3.870 0.000 . 1 . . . . . 69 SER HB3 . 50424 1 490 . 1 . 1 69 69 SER C C 13 176.272 0.010 . 1 . . . . . 69 SER C . 50424 1 491 . 1 . 1 69 69 SER CA C 13 60.036 0.042 . 1 . . . . . 69 SER CA . 50424 1 492 . 1 . 1 69 69 SER CB C 13 64.719 0.058 . 1 . . . . . 69 SER CB . 50424 1 493 . 1 . 1 69 69 SER N N 15 115.735 0.025 . 1 . . . . . 69 SER N . 50424 1 494 . 1 . 1 70 70 GLY H H 1 10.845 0.005 . 1 . . . . . 70 GLY H . 50424 1 495 . 1 . 1 70 70 GLY HA2 H 1 4.160 0.000 . 2 . . . . . 70 GLY HA2 . 50424 1 496 . 1 . 1 70 70 GLY HA3 H 1 3.520 0.000 . 2 . . . . . 70 GLY HA3 . 50424 1 497 . 1 . 1 70 70 GLY C C 13 173.645 0.004 . 1 . . . . . 70 GLY C . 50424 1 498 . 1 . 1 70 70 GLY CA C 13 45.663 0.062 . 1 . . . . . 70 GLY CA . 50424 1 499 . 1 . 1 70 70 GLY N N 15 116.329 0.037 . 1 . . . . . 70 GLY N . 50424 1 500 . 1 . 1 71 71 THR H H 1 7.867 0.001 . 1 . . . . . 71 THR H . 50424 1 501 . 1 . 1 71 71 THR HA H 1 4.897 0.000 . 1 . . . . . 71 THR HA . 50424 1 502 . 1 . 1 71 71 THR HB H 1 3.869 0.000 . 1 . . . . . 71 THR HB . 50424 1 503 . 1 . 1 71 71 THR C C 13 172.536 0.008 . 1 . . . . . 71 THR C . 50424 1 504 . 1 . 1 71 71 THR CA C 13 58.213 0.054 . 1 . . . . . 71 THR CA . 50424 1 505 . 1 . 1 71 71 THR CB C 13 73.377 0.063 . 1 . . . . . 71 THR CB . 50424 1 506 . 1 . 1 71 71 THR N N 15 109.994 0.060 . 1 . . . . . 71 THR N . 50424 1 507 . 1 . 1 72 72 VAL H H 1 9.873 0.011 . 1 . . . . . 72 VAL H . 50424 1 508 . 1 . 1 72 72 VAL HA H 1 5.030 0.000 . 1 . . . . . 72 VAL HA . 50424 1 509 . 1 . 1 72 72 VAL HB H 1 2.104 0.000 . 1 . . . . . 72 VAL HB . 50424 1 510 . 1 . 1 72 72 VAL C C 13 175.111 0.026 . 1 . . . . . 72 VAL C . 50424 1 511 . 1 . 1 72 72 VAL CA C 13 61.149 0.025 . 1 . . . . . 72 VAL CA . 50424 1 512 . 1 . 1 72 72 VAL CB C 13 33.329 0.092 . 1 . . . . . 72 VAL CB . 50424 1 513 . 1 . 1 72 72 VAL N N 15 127.365 0.047 . 1 . . . . . 72 VAL N . 50424 1 514 . 1 . 1 73 73 ASP H H 1 8.612 0.003 . 1 . . . . . 73 ASP H . 50424 1 515 . 1 . 1 73 73 ASP HA H 1 5.144 0.000 . 1 . . . . . 73 ASP HA . 50424 1 516 . 1 . 1 73 73 ASP HB2 H 1 3.207 0.000 . 2 . . . . . 73 ASP HB2 . 50424 1 517 . 1 . 1 73 73 ASP HB3 H 1 2.689 0.000 . 2 . . . . . 73 ASP HB3 . 50424 1 518 . 1 . 1 73 73 ASP C C 13 175.909 0.000 . 1 . . . . . 73 ASP C . 50424 1 519 . 1 . 1 73 73 ASP CA C 13 52.419 0.028 . 1 . . . . . 73 ASP CA . 50424 1 520 . 1 . 1 73 73 ASP CB C 13 41.932 0.053 . 1 . . . . . 73 ASP CB . 50424 1 521 . 1 . 1 73 73 ASP N N 15 127.637 0.029 . 1 . . . . . 73 ASP N . 50424 1 522 . 1 . 1 74 74 PHE H H 1 8.755 0.004 . 1 . . . . . 74 PHE H . 50424 1 523 . 1 . 1 74 74 PHE HB2 H 1 2.398 0.000 . 2 . . . . . 74 PHE HB2 . 50424 1 524 . 1 . 1 74 74 PHE HB3 H 1 2.082 0.000 . 2 . . . . . 74 PHE HB3 . 50424 1 525 . 1 . 1 74 74 PHE C C 13 176.172 0.006 . 1 . . . . . 74 PHE C . 50424 1 526 . 1 . 1 74 74 PHE CA C 13 61.041 0.080 . 1 . . . . . 74 PHE CA . 50424 1 527 . 1 . 1 74 74 PHE CB C 13 38.479 0.007 . 1 . . . . . 74 PHE CB . 50424 1 528 . 1 . 1 74 74 PHE N N 15 118.252 0.025 . 1 . . . . . 74 PHE N . 50424 1 529 . 1 . 1 75 75 ASP H H 1 7.768 0.008 . 1 . . . . . 75 ASP H . 50424 1 530 . 1 . 1 75 75 ASP HA H 1 3.834 0.000 . 1 . . . . . 75 ASP HA . 50424 1 531 . 1 . 1 75 75 ASP HB2 H 1 3.167 0.000 . 2 . . . . . 75 ASP HB2 . 50424 1 532 . 1 . 1 75 75 ASP HB3 H 1 3.002 0.000 . 2 . . . . . 75 ASP HB3 . 50424 1 533 . 1 . 1 75 75 ASP C C 13 176.693 0.016 . 1 . . . . . 75 ASP C . 50424 1 534 . 1 . 1 75 75 ASP CA C 13 58.025 0.000 . 1 . . . . . 75 ASP CA . 50424 1 535 . 1 . 1 75 75 ASP CB C 13 39.975 0.089 . 1 . . . . . 75 ASP CB . 50424 1 536 . 1 . 1 75 75 ASP N N 15 117.381 0.116 . 1 . . . . . 75 ASP N . 50424 1 537 . 1 . 1 76 76 GLU H H 1 8.077 0.002 . 1 . . . . . 76 GLU H . 50424 1 538 . 1 . 1 76 76 GLU HA H 1 3.966 0.000 . 1 . . . . . 76 GLU HA . 50424 1 539 . 1 . 1 76 76 GLU HB2 H 1 1.946 0.000 . 1 . . . . . 76 GLU HB2 . 50424 1 540 . 1 . 1 76 76 GLU HB3 H 1 1.946 0.000 . 1 . . . . . 76 GLU HB3 . 50424 1 541 . 1 . 1 76 76 GLU C C 13 178.974 0.000 . 1 . . . . . 76 GLU C . 50424 1 542 . 1 . 1 76 76 GLU CA C 13 58.446 0.000 . 1 . . . . . 76 GLU CA . 50424 1 543 . 1 . 1 76 76 GLU CB C 13 41.663 0.000 . 1 . . . . . 76 GLU CB . 50424 1 544 . 1 . 1 76 76 GLU N N 15 118.590 0.052 . 1 . . . . . 76 GLU N . 50424 1 545 . 1 . 1 77 77 PHE H H 1 8.871 0.003 . 1 . . . . . 77 PHE H . 50424 1 546 . 1 . 1 77 77 PHE HA H 1 3.826 0.000 . 1 . . . . . 77 PHE HA . 50424 1 547 . 1 . 1 77 77 PHE HB2 H 1 3.165 0.000 . 2 . . . . . 77 PHE HB2 . 50424 1 548 . 1 . 1 77 77 PHE HB3 H 1 2.994 0.000 . 2 . . . . . 77 PHE HB3 . 50424 1 549 . 1 . 1 77 77 PHE C C 13 176.667 0.003 . 1 . . . . . 77 PHE C . 50424 1 550 . 1 . 1 77 77 PHE CA C 13 61.090 0.000 . 1 . . . . . 77 PHE CA . 50424 1 551 . 1 . 1 77 77 PHE CB C 13 39.873 0.055 . 1 . . . . . 77 PHE CB . 50424 1 552 . 1 . 1 77 77 PHE N N 15 121.810 0.032 . 1 . . . . . 77 PHE N . 50424 1 553 . 1 . 1 78 78 LEU H H 1 8.149 0.002 . 1 . . . . . 78 LEU H . 50424 1 554 . 1 . 1 78 78 LEU HA H 1 3.285 0.000 . 1 . . . . . 78 LEU HA . 50424 1 555 . 1 . 1 78 78 LEU HB2 H 1 1.685 0.000 . 2 . . . . . 78 LEU HB2 . 50424 1 556 . 1 . 1 78 78 LEU HB3 H 1 1.000 0.000 . 2 . . . . . 78 LEU HB3 . 50424 1 557 . 1 . 1 78 78 LEU C C 13 178.312 0.003 . 1 . . . . . 78 LEU C . 50424 1 558 . 1 . 1 78 78 LEU CA C 13 58.030 0.043 . 1 . . . . . 78 LEU CA . 50424 1 559 . 1 . 1 78 78 LEU CB C 13 41.526 0.000 . 1 . . . . . 78 LEU CB . 50424 1 560 . 1 . 1 78 78 LEU N N 15 118.814 0.047 . 1 . . . . . 78 LEU N . 50424 1 561 . 1 . 1 79 79 VAL H H 1 7.078 0.011 . 1 . . . . . 79 VAL H . 50424 1 562 . 1 . 1 79 79 VAL HA H 1 3.203 0.000 . 1 . . . . . 79 VAL HA . 50424 1 563 . 1 . 1 79 79 VAL C C 13 177.332 0.034 . 1 . . . . . 79 VAL C . 50424 1 564 . 1 . 1 79 79 VAL CA C 13 66.296 0.013 . 1 . . . . . 79 VAL CA . 50424 1 565 . 1 . 1 79 79 VAL CB C 13 30.989 0.012 . 1 . . . . . 79 VAL CB . 50424 1 566 . 1 . 1 79 79 VAL N N 15 117.146 0.124 . 1 . . . . . 79 VAL N . 50424 1 567 . 1 . 1 80 80 MET H H 1 7.782 0.004 . 1 . . . . . 80 MET H . 50424 1 568 . 1 . 1 80 80 MET HA H 1 3.599 0.000 . 1 . . . . . 80 MET HA . 50424 1 569 . 1 . 1 80 80 MET HB2 H 1 2.158 0.000 . 2 . . . . . 80 MET HB2 . 50424 1 570 . 1 . 1 80 80 MET HB3 H 1 1.877 0.000 . 2 . . . . . 80 MET HB3 . 50424 1 571 . 1 . 1 80 80 MET C C 13 177.802 0.005 . 1 . . . . . 80 MET C . 50424 1 572 . 1 . 1 80 80 MET CA C 13 59.358 0.004 . 1 . . . . . 80 MET CA . 50424 1 573 . 1 . 1 80 80 MET CB C 13 33.022 0.018 . 1 . . . . . 80 MET CB . 50424 1 574 . 1 . 1 80 80 MET N N 15 118.905 0.073 . 1 . . . . . 80 MET N . 50424 1 575 . 1 . 1 81 81 MET H H 1 8.029 0.004 . 1 . . . . . 81 MET H . 50424 1 576 . 1 . 1 81 81 MET HA H 1 3.980 0.000 . 1 . . . . . 81 MET HA . 50424 1 577 . 1 . 1 81 81 MET HB3 H 1 2.092 0.000 . 1 . . . . . 81 MET HB3 . 50424 1 578 . 1 . 1 81 81 MET C C 13 179.182 0.018 . 1 . . . . . 81 MET C . 50424 1 579 . 1 . 1 81 81 MET CA C 13 56.331 0.059 . 1 . . . . . 81 MET CA . 50424 1 580 . 1 . 1 81 81 MET CB C 13 31.757 0.069 . 1 . . . . . 81 MET CB . 50424 1 581 . 1 . 1 81 81 MET N N 15 116.146 0.038 . 1 . . . . . 81 MET N . 50424 1 582 . 1 . 1 82 82 VAL H H 1 7.854 0.003 . 1 . . . . . 82 VAL H . 50424 1 583 . 1 . 1 82 82 VAL HA H 1 3.832 0.000 . 1 . . . . . 82 VAL HA . 50424 1 584 . 1 . 1 82 82 VAL HB H 1 2.092 0.000 . 1 . . . . . 82 VAL HB . 50424 1 585 . 1 . 1 82 82 VAL C C 13 177.890 0.021 . 1 . . . . . 82 VAL C . 50424 1 586 . 1 . 1 82 82 VAL CA C 13 65.106 0.000 . 1 . . . . . 82 VAL CA . 50424 1 587 . 1 . 1 82 82 VAL CB C 13 31.237 0.000 . 1 . . . . . 82 VAL CB . 50424 1 588 . 1 . 1 82 82 VAL N N 15 115.186 0.036 . 1 . . . . . 82 VAL N . 50424 1 589 . 1 . 1 83 83 ARG H H 1 7.910 0.005 . 1 . . . . . 83 ARG H . 50424 1 590 . 1 . 1 83 83 ARG HA H 1 3.720 0.000 . 1 . . . . . 83 ARG HA . 50424 1 591 . 1 . 1 83 83 ARG C C 13 177.778 0.014 . 1 . . . . . 83 ARG C . 50424 1 592 . 1 . 1 83 83 ARG CA C 13 58.518 0.096 . 1 . . . . . 83 ARG CA . 50424 1 593 . 1 . 1 83 83 ARG CB C 13 30.473 0.034 . 1 . . . . . 83 ARG CB . 50424 1 594 . 1 . 1 83 83 ARG N N 15 119.490 0.051 . 1 . . . . . 83 ARG N . 50424 1 595 . 1 . 1 84 84 TYR H H 1 7.865 0.003 . 1 . . . . . 84 TYR H . 50424 1 596 . 1 . 1 84 84 TYR HA H 1 4.392 0.000 . 1 . . . . . 84 TYR HA . 50424 1 597 . 1 . 1 84 84 TYR HB2 H 1 3.034 0.000 . 2 . . . . . 84 TYR HB2 . 50424 1 598 . 1 . 1 84 84 TYR HB3 H 1 2.655 0.000 . 2 . . . . . 84 TYR HB3 . 50424 1 599 . 1 . 1 84 84 TYR C C 13 176.442 0.013 . 1 . . . . . 84 TYR C . 50424 1 600 . 1 . 1 84 84 TYR CA C 13 59.681 0.001 . 1 . . . . . 84 TYR CA . 50424 1 601 . 1 . 1 84 84 TYR CB C 13 38.956 0.005 . 1 . . . . . 84 TYR CB . 50424 1 602 . 1 . 1 84 84 TYR N N 15 115.285 0.063 . 1 . . . . . 84 TYR N . 50424 1 603 . 1 . 1 85 85 MET H H 1 7.748 0.004 . 1 . . . . . 85 MET H . 50424 1 604 . 1 . 1 85 85 MET HA H 1 4.364 0.000 . 1 . . . . . 85 MET HA . 50424 1 605 . 1 . 1 85 85 MET C C 13 176.388 0.011 . 1 . . . . . 85 MET C . 50424 1 606 . 1 . 1 85 85 MET CA C 13 56.176 0.018 . 1 . . . . . 85 MET CA . 50424 1 607 . 1 . 1 85 85 MET CB C 13 32.531 0.004 . 1 . . . . . 85 MET CB . 50424 1 608 . 1 . 1 85 85 MET N N 15 118.440 0.082 . 1 . . . . . 85 MET N . 50424 1 609 . 1 . 1 86 86 LYS H H 1 8.052 0.002 . 1 . . . . . 86 LYS H . 50424 1 610 . 1 . 1 86 86 LYS HA H 1 4.258 0.000 . 1 . . . . . 86 LYS HA . 50424 1 611 . 1 . 1 86 86 LYS HB2 H 1 1.783 0.000 . 1 . . . . . 86 LYS HB2 . 50424 1 612 . 1 . 1 86 86 LYS HB3 H 1 1.783 0.000 . 1 . . . . . 86 LYS HB3 . 50424 1 613 . 1 . 1 86 86 LYS CA C 13 56.263 0.011 . 1 . . . . . 86 LYS CA . 50424 1 614 . 1 . 1 86 86 LYS CB C 13 33.063 0.016 . 1 . . . . . 86 LYS CB . 50424 1 615 . 1 . 1 86 86 LYS N N 15 121.853 0.053 . 1 . . . . . 86 LYS N . 50424 1 616 . 1 . 1 87 87 ASP H H 1 8.353 0.003 . 1 . . . . . 87 ASP H . 50424 1 617 . 1 . 1 87 87 ASP HA H 1 4.578 0.000 . 1 . . . . . 87 ASP HA . 50424 1 618 . 1 . 1 87 87 ASP HB2 H 1 2.676 0.000 . 2 . . . . . 87 ASP HB2 . 50424 1 619 . 1 . 1 87 87 ASP HB3 H 1 2.586 0.000 . 2 . . . . . 87 ASP HB3 . 50424 1 620 . 1 . 1 87 87 ASP C C 13 176.145 0.017 . 1 . . . . . 87 ASP C . 50424 1 621 . 1 . 1 87 87 ASP CA C 13 54.210 0.004 . 1 . . . . . 87 ASP CA . 50424 1 622 . 1 . 1 87 87 ASP CB C 13 41.235 0.072 . 1 . . . . . 87 ASP CB . 50424 1 623 . 1 . 1 87 87 ASP N N 15 122.111 0.061 . 1 . . . . . 87 ASP N . 50424 1 624 . 1 . 1 88 88 ASP H H 1 8.431 0.002 . 1 . . . . . 88 ASP H . 50424 1 625 . 1 . 1 88 88 ASP HA H 1 4.579 0.000 . 1 . . . . . 88 ASP HA . 50424 1 626 . 1 . 1 88 88 ASP HB2 H 1 2.613 0.000 . 1 . . . . . 88 ASP HB2 . 50424 1 627 . 1 . 1 88 88 ASP HB3 H 1 2.613 0.000 . 1 . . . . . 88 ASP HB3 . 50424 1 628 . 1 . 1 88 88 ASP C C 13 176.639 0.015 . 1 . . . . . 88 ASP C . 50424 1 629 . 1 . 1 88 88 ASP CA C 13 54.316 0.067 . 1 . . . . . 88 ASP CA . 50424 1 630 . 1 . 1 88 88 ASP CB C 13 41.174 0.044 . 1 . . . . . 88 ASP CB . 50424 1 631 . 1 . 1 88 88 ASP N N 15 122.666 0.025 . 1 . . . . . 88 ASP N . 50424 1 632 . 1 . 1 89 89 SER H H 1 8.380 0.003 . 1 . . . . . 89 SER H . 50424 1 633 . 1 . 1 89 89 SER HA H 1 4.317 0.000 . 1 . . . . . 89 SER HA . 50424 1 634 . 1 . 1 89 89 SER HB2 H 1 3.854 0.000 . 1 . . . . . 89 SER HB2 . 50424 1 635 . 1 . 1 89 89 SER HB3 H 1 3.854 0.000 . 1 . . . . . 89 SER HB3 . 50424 1 636 . 1 . 1 89 89 SER C C 13 174.884 0.013 . 1 . . . . . 89 SER C . 50424 1 637 . 1 . 1 89 89 SER CA C 13 59.008 0.050 . 1 . . . . . 89 SER CA . 50424 1 638 . 1 . 1 89 89 SER CB C 13 63.717 0.077 . 1 . . . . . 89 SER CB . 50424 1 639 . 1 . 1 89 89 SER N N 15 116.231 0.031 . 1 . . . . . 89 SER N . 50424 1 640 . 1 . 1 90 90 LYS H H 1 8.228 0.002 . 1 . . . . . 90 LYS H . 50424 1 641 . 1 . 1 90 90 LYS HA H 1 4.281 0.000 . 1 . . . . . 90 LYS HA . 50424 1 642 . 1 . 1 90 90 LYS HB2 H 1 1.798 0.000 . 2 . . . . . 90 LYS HB2 . 50424 1 643 . 1 . 1 90 90 LYS HB3 H 1 1.753 0.000 . 2 . . . . . 90 LYS HB3 . 50424 1 644 . 1 . 1 90 90 LYS C C 13 177.037 0.011 . 1 . . . . . 90 LYS C . 50424 1 645 . 1 . 1 90 90 LYS CA C 13 56.445 0.060 . 1 . . . . . 90 LYS CA . 50424 1 646 . 1 . 1 90 90 LYS CB C 13 32.866 0.050 . 1 . . . . . 90 LYS CB . 50424 1 647 . 1 . 1 90 90 LYS N N 15 122.764 0.030 . 1 . . . . . 90 LYS N . 50424 1 648 . 1 . 1 91 91 GLY H H 1 8.375 0.003 . 1 . . . . . 91 GLY H . 50424 1 649 . 1 . 1 91 91 GLY HA2 H 1 3.929 0.000 . 2 . . . . . 91 GLY HA2 . 50424 1 650 . 1 . 1 91 91 GLY HA3 H 1 3.893 0.000 . 2 . . . . . 91 GLY HA3 . 50424 1 651 . 1 . 1 91 91 GLY C C 13 174.053 0.020 . 1 . . . . . 91 GLY C . 50424 1 652 . 1 . 1 91 91 GLY CA C 13 45.038 0.089 . 1 . . . . . 91 GLY CA . 50424 1 653 . 1 . 1 91 91 GLY N N 15 109.657 0.053 . 1 . . . . . 91 GLY N . 50424 1 654 . 1 . 1 92 92 LYS H H 1 8.326 0.002 . 1 . . . . . 92 LYS H . 50424 1 655 . 1 . 1 92 92 LYS HA H 1 4.358 0.000 . 1 . . . . . 92 LYS HA . 50424 1 656 . 1 . 1 92 92 LYS HB2 H 1 1.701 0.000 . 2 . . . . . 92 LYS HB2 . 50424 1 657 . 1 . 1 92 92 LYS HB3 H 1 1.644 0.000 . 2 . . . . . 92 LYS HB3 . 50424 1 658 . 1 . 1 92 92 LYS C C 13 176.708 0.003 . 1 . . . . . 92 LYS C . 50424 1 659 . 1 . 1 92 92 LYS CA C 13 56.088 0.008 . 1 . . . . . 92 LYS CA . 50424 1 660 . 1 . 1 92 92 LYS CB C 13 33.791 0.060 . 1 . . . . . 92 LYS CB . 50424 1 661 . 1 . 1 92 92 LYS N N 15 120.755 0.022 . 1 . . . . . 92 LYS N . 50424 1 662 . 1 . 1 93 93 SER H H 1 8.750 0.002 . 1 . . . . . 93 SER H . 50424 1 663 . 1 . 1 93 93 SER HA H 1 4.403 0.000 . 1 . . . . . 93 SER HA . 50424 1 664 . 1 . 1 93 93 SER HB2 H 1 4.210 0.000 . 2 . . . . . 93 SER HB2 . 50424 1 665 . 1 . 1 93 93 SER HB3 H 1 3.976 0.000 . 2 . . . . . 93 SER HB3 . 50424 1 666 . 1 . 1 93 93 SER C C 13 174.861 0.019 . 1 . . . . . 93 SER C . 50424 1 667 . 1 . 1 93 93 SER CA C 13 57.844 0.095 . 1 . . . . . 93 SER CA . 50424 1 668 . 1 . 1 93 93 SER CB C 13 64.842 0.067 . 1 . . . . . 93 SER CB . 50424 1 669 . 1 . 1 93 93 SER N N 15 117.851 0.029 . 1 . . . . . 93 SER N . 50424 1 670 . 1 . 1 94 94 GLU H H 1 8.906 0.003 . 1 . . . . . 94 GLU H . 50424 1 671 . 1 . 1 94 94 GLU HA H 1 3.965 0.000 . 1 . . . . . 94 GLU HA . 50424 1 672 . 1 . 1 94 94 GLU HB2 H 1 2.021 0.000 . 1 . . . . . 94 GLU HB2 . 50424 1 673 . 1 . 1 94 94 GLU HB3 H 1 2.021 0.000 . 1 . . . . . 94 GLU HB3 . 50424 1 674 . 1 . 1 94 94 GLU C C 13 178.202 0.036 . 1 . . . . . 94 GLU C . 50424 1 675 . 1 . 1 94 94 GLU CA C 13 59.737 0.023 . 1 . . . . . 94 GLU CA . 50424 1 676 . 1 . 1 94 94 GLU CB C 13 29.201 0.040 . 1 . . . . . 94 GLU CB . 50424 1 677 . 1 . 1 94 94 GLU N N 15 122.041 0.068 . 1 . . . . . 94 GLU N . 50424 1 678 . 1 . 1 95 95 GLU H H 1 8.594 0.003 . 1 . . . . . 95 GLU H . 50424 1 679 . 1 . 1 95 95 GLU HA H 1 4.032 0.000 . 1 . . . . . 95 GLU HA . 50424 1 680 . 1 . 1 95 95 GLU HB2 H 1 1.971 0.000 . 1 . . . . . 95 GLU HB2 . 50424 1 681 . 1 . 1 95 95 GLU HB3 H 1 1.971 0.000 . 1 . . . . . 95 GLU HB3 . 50424 1 682 . 1 . 1 95 95 GLU C C 13 178.462 0.010 . 1 . . . . . 95 GLU C . 50424 1 683 . 1 . 1 95 95 GLU CA C 13 59.503 0.024 . 1 . . . . . 95 GLU CA . 50424 1 684 . 1 . 1 95 95 GLU CB C 13 29.310 0.058 . 1 . . . . . 95 GLU CB . 50424 1 685 . 1 . 1 95 95 GLU N N 15 119.570 0.030 . 1 . . . . . 95 GLU N . 50424 1 686 . 1 . 1 96 96 GLU H H 1 7.988 0.002 . 1 . . . . . 96 GLU H . 50424 1 687 . 1 . 1 96 96 GLU HA H 1 4.143 0.000 . 1 . . . . . 96 GLU HA . 50424 1 688 . 1 . 1 96 96 GLU HB2 H 1 2.202 0.000 . 2 . . . . . 96 GLU HB2 . 50424 1 689 . 1 . 1 96 96 GLU HB3 H 1 1.997 0.000 . 2 . . . . . 96 GLU HB3 . 50424 1 690 . 1 . 1 96 96 GLU C C 13 179.874 0.005 . 1 . . . . . 96 GLU C . 50424 1 691 . 1 . 1 96 96 GLU CA C 13 58.895 0.027 . 1 . . . . . 96 GLU CA . 50424 1 692 . 1 . 1 96 96 GLU CB C 13 30.067 0.055 . 1 . . . . . 96 GLU CB . 50424 1 693 . 1 . 1 96 96 GLU N N 15 119.963 0.035 . 1 . . . . . 96 GLU N . 50424 1 694 . 1 . 1 97 97 LEU H H 1 8.490 0.001 . 1 . . . . . 97 LEU H . 50424 1 695 . 1 . 1 97 97 LEU HA H 1 4.283 0.000 . 1 . . . . . 97 LEU HA . 50424 1 696 . 1 . 1 97 97 LEU HB2 H 1 2.054 0.000 . 2 . . . . . 97 LEU HB2 . 50424 1 697 . 1 . 1 97 97 LEU HB3 H 1 1.464 0.000 . 2 . . . . . 97 LEU HB3 . 50424 1 698 . 1 . 1 97 97 LEU C C 13 178.845 0.011 . 1 . . . . . 97 LEU C . 50424 1 699 . 1 . 1 97 97 LEU CA C 13 58.049 0.029 . 1 . . . . . 97 LEU CA . 50424 1 700 . 1 . 1 97 97 LEU CB C 13 41.881 0.004 . 1 . . . . . 97 LEU CB . 50424 1 701 . 1 . 1 97 97 LEU N N 15 120.693 0.036 . 1 . . . . . 97 LEU N . 50424 1 702 . 1 . 1 98 98 SER H H 1 8.697 0.002 . 1 . . . . . 98 SER H . 50424 1 703 . 1 . 1 98 98 SER HA H 1 4.265 0.000 . 1 . . . . . 98 SER HA . 50424 1 704 . 1 . 1 98 98 SER HB2 H 1 4.051 0.000 . 2 . . . . . 98 SER HB2 . 50424 1 705 . 1 . 1 98 98 SER HB3 H 1 4.027 0.000 . 2 . . . . . 98 SER HB3 . 50424 1 706 . 1 . 1 98 98 SER C C 13 177.200 0.006 . 1 . . . . . 98 SER C . 50424 1 707 . 1 . 1 98 98 SER CA C 13 61.913 0.052 . 1 . . . . . 98 SER CA . 50424 1 708 . 1 . 1 98 98 SER CB C 13 62.600 0.029 . 1 . . . . . 98 SER CB . 50424 1 709 . 1 . 1 98 98 SER N N 15 116.091 0.057 . 1 . . . . . 98 SER N . 50424 1 710 . 1 . 1 99 99 ASP H H 1 7.935 0.002 . 1 . . . . . 99 ASP H . 50424 1 711 . 1 . 1 99 99 ASP HA H 1 4.391 0.000 . 1 . . . . . 99 ASP HA . 50424 1 712 . 1 . 1 99 99 ASP HB2 H 1 2.799 0.000 . 2 . . . . . 99 ASP HB2 . 50424 1 713 . 1 . 1 99 99 ASP HB3 H 1 2.609 0.000 . 2 . . . . . 99 ASP HB3 . 50424 1 714 . 1 . 1 99 99 ASP C C 13 178.826 0.017 . 1 . . . . . 99 ASP C . 50424 1 715 . 1 . 1 99 99 ASP CA C 13 57.326 0.039 . 1 . . . . . 99 ASP CA . 50424 1 716 . 1 . 1 99 99 ASP CB C 13 40.380 0.075 . 1 . . . . . 99 ASP CB . 50424 1 717 . 1 . 1 99 99 ASP N N 15 121.521 0.033 . 1 . . . . . 99 ASP N . 50424 1 718 . 1 . 1 100 100 LEU H H 1 8.075 0.003 . 1 . . . . . 100 LEU H . 50424 1 719 . 1 . 1 100 100 LEU HA H 1 4.128 0.000 . 1 . . . . . 100 LEU HA . 50424 1 720 . 1 . 1 100 100 LEU HB2 H 1 2.075 0.000 . 2 . . . . . 100 LEU HB2 . 50424 1 721 . 1 . 1 100 100 LEU HB3 H 1 2.002 0.000 . 2 . . . . . 100 LEU HB3 . 50424 1 722 . 1 . 1 100 100 LEU C C 13 177.846 0.017 . 1 . . . . . 100 LEU C . 50424 1 723 . 1 . 1 100 100 LEU CA C 13 58.060 0.066 . 1 . . . . . 100 LEU CA . 50424 1 724 . 1 . 1 100 100 LEU CB C 13 42.716 0.030 . 1 . . . . . 100 LEU CB . 50424 1 725 . 1 . 1 100 100 LEU N N 15 121.936 0.032 . 1 . . . . . 100 LEU N . 50424 1 726 . 1 . 1 101 101 PHE H H 1 8.497 0.003 . 1 . . . . . 101 PHE H . 50424 1 727 . 1 . 1 101 101 PHE HA H 1 3.209 0.000 . 1 . . . . . 101 PHE HA . 50424 1 728 . 1 . 1 101 101 PHE HB2 H 1 3.071 0.000 . 2 . . . . . 101 PHE HB2 . 50424 1 729 . 1 . 1 101 101 PHE HB3 H 1 2.719 0.000 . 2 . . . . . 101 PHE HB3 . 50424 1 730 . 1 . 1 101 101 PHE C C 13 176.713 0.016 . 1 . . . . . 101 PHE C . 50424 1 731 . 1 . 1 101 101 PHE CA C 13 62.177 0.063 . 1 . . . . . 101 PHE CA . 50424 1 732 . 1 . 1 101 101 PHE CB C 13 39.258 0.000 . 1 . . . . . 101 PHE CB . 50424 1 733 . 1 . 1 101 101 PHE N N 15 119.506 0.030 . 1 . . . . . 101 PHE N . 50424 1 734 . 1 . 1 102 102 ARG H H 1 7.869 0.002 . 1 . . . . . 102 ARG H . 50424 1 735 . 1 . 1 102 102 ARG HA H 1 3.858 0.000 . 1 . . . . . 102 ARG HA . 50424 1 736 . 1 . 1 102 102 ARG HB2 H 1 1.882 0.000 . 2 . . . . . 102 ARG HB2 . 50424 1 737 . 1 . 1 102 102 ARG HB3 H 1 1.834 0.000 . 2 . . . . . 102 ARG HB3 . 50424 1 738 . 1 . 1 102 102 ARG C C 13 178.517 0.024 . 1 . . . . . 102 ARG C . 50424 1 739 . 1 . 1 102 102 ARG CA C 13 58.874 0.016 . 1 . . . . . 102 ARG CA . 50424 1 740 . 1 . 1 102 102 ARG CB C 13 30.158 0.000 . 1 . . . . . 102 ARG CB . 50424 1 741 . 1 . 1 102 102 ARG N N 15 114.529 0.029 . 1 . . . . . 102 ARG N . 50424 1 742 . 1 . 1 103 103 MET H H 1 7.783 0.002 . 1 . . . . . 103 MET H . 50424 1 743 . 1 . 1 103 103 MET HA H 1 3.840 0.000 . 1 . . . . . 103 MET HA . 50424 1 744 . 1 . 1 103 103 MET HB2 H 1 1.956 0.000 . 2 . . . . . 103 MET HB2 . 50424 1 745 . 1 . 1 103 103 MET HB3 H 1 1.792 0.000 . 2 . . . . . 103 MET HB3 . 50424 1 746 . 1 . 1 103 103 MET C C 13 177.357 0.000 . 1 . . . . . 103 MET C . 50424 1 747 . 1 . 1 103 103 MET CA C 13 57.935 0.076 . 1 . . . . . 103 MET CA . 50424 1 748 . 1 . 1 103 103 MET CB C 13 32.267 0.000 . 1 . . . . . 103 MET CB . 50424 1 749 . 1 . 1 103 103 MET N N 15 117.272 0.062 . 1 . . . . . 103 MET N . 50424 1 750 . 1 . 1 104 104 PHE H H 1 7.463 0.002 . 1 . . . . . 104 PHE H . 50424 1 751 . 1 . 1 104 104 PHE HA H 1 4.352 0.000 . 1 . . . . . 104 PHE HA . 50424 1 752 . 1 . 1 104 104 PHE HB2 H 1 2.968 0.000 . 1 . . . . . 104 PHE HB2 . 50424 1 753 . 1 . 1 104 104 PHE HB3 H 1 2.968 0.000 . 1 . . . . . 104 PHE HB3 . 50424 1 754 . 1 . 1 104 104 PHE C C 13 176.046 0.013 . 1 . . . . . 104 PHE C . 50424 1 755 . 1 . 1 104 104 PHE CA C 13 59.464 0.055 . 1 . . . . . 104 PHE CA . 50424 1 756 . 1 . 1 104 104 PHE CB C 13 39.435 0.012 . 1 . . . . . 104 PHE CB . 50424 1 757 . 1 . 1 104 104 PHE N N 15 114.678 0.032 . 1 . . . . . 104 PHE N . 50424 1 758 . 1 . 1 105 105 ASP H H 1 7.727 0.002 . 1 . . . . . 105 ASP H . 50424 1 759 . 1 . 1 105 105 ASP HA H 1 4.441 0.000 . 1 . . . . . 105 ASP HA . 50424 1 760 . 1 . 1 105 105 ASP HB2 H 1 2.385 0.000 . 2 . . . . . 105 ASP HB2 . 50424 1 761 . 1 . 1 105 105 ASP HB3 H 1 1.495 0.000 . 2 . . . . . 105 ASP HB3 . 50424 1 762 . 1 . 1 105 105 ASP C C 13 177.378 0.008 . 1 . . . . . 105 ASP C . 50424 1 763 . 1 . 1 105 105 ASP CA C 13 52.341 0.000 . 1 . . . . . 105 ASP CA . 50424 1 764 . 1 . 1 105 105 ASP CB C 13 37.849 0.050 . 1 . . . . . 105 ASP CB . 50424 1 765 . 1 . 1 105 105 ASP N N 15 120.193 0.053 . 1 . . . . . 105 ASP N . 50424 1 766 . 1 . 1 106 106 LYS H H 1 7.529 0.003 . 1 . . . . . 106 LYS H . 50424 1 767 . 1 . 1 106 106 LYS HA H 1 3.884 0.000 . 1 . . . . . 106 LYS HA . 50424 1 768 . 1 . 1 106 106 LYS HB2 H 1 1.834 0.000 . 1 . . . . . 106 LYS HB2 . 50424 1 769 . 1 . 1 106 106 LYS HB3 H 1 1.834 0.000 . 1 . . . . . 106 LYS HB3 . 50424 1 770 . 1 . 1 106 106 LYS C C 13 177.793 0.018 . 1 . . . . . 106 LYS C . 50424 1 771 . 1 . 1 106 106 LYS CA C 13 58.480 0.048 . 1 . . . . . 106 LYS CA . 50424 1 772 . 1 . 1 106 106 LYS CB C 13 32.719 0.044 . 1 . . . . . 106 LYS CB . 50424 1 773 . 1 . 1 106 106 LYS N N 15 125.175 0.035 . 1 . . . . . 106 LYS N . 50424 1 774 . 1 . 1 107 107 ASN H H 1 7.940 0.002 . 1 . . . . . 107 ASN H . 50424 1 775 . 1 . 1 107 107 ASN HA H 1 4.639 0.000 . 1 . . . . . 107 ASN HA . 50424 1 776 . 1 . 1 107 107 ASN HB2 H 1 3.203 0.000 . 2 . . . . . 107 ASN HB2 . 50424 1 777 . 1 . 1 107 107 ASN HB3 H 1 2.766 0.000 . 2 . . . . . 107 ASN HB3 . 50424 1 778 . 1 . 1 107 107 ASN C C 13 174.146 0.016 . 1 . . . . . 107 ASN C . 50424 1 779 . 1 . 1 107 107 ASN CA C 13 51.595 0.049 . 1 . . . . . 107 ASN CA . 50424 1 780 . 1 . 1 107 107 ASN CB C 13 36.646 0.048 . 1 . . . . . 107 ASN CB . 50424 1 781 . 1 . 1 107 107 ASN N N 15 113.222 0.036 . 1 . . . . . 107 ASN N . 50424 1 782 . 1 . 1 108 108 ALA H H 1 7.850 0.001 . 1 . . . . . 108 ALA H . 50424 1 783 . 1 . 1 108 108 ALA HA H 1 3.942 0.000 . 1 . . . . . 108 ALA HA . 50424 1 784 . 1 . 1 108 108 ALA HB1 H 1 1.275 0.000 . 1 . . . . . 108 ALA HB1 . 50424 1 785 . 1 . 1 108 108 ALA HB2 H 1 1.275 0.000 . 1 . . . . . 108 ALA HB2 . 50424 1 786 . 1 . 1 108 108 ALA HB3 H 1 1.275 0.000 . 1 . . . . . 108 ALA HB3 . 50424 1 787 . 1 . 1 108 108 ALA C C 13 176.450 0.014 . 1 . . . . . 108 ALA C . 50424 1 788 . 1 . 1 108 108 ALA CA C 13 53.003 0.022 . 1 . . . . . 108 ALA CA . 50424 1 789 . 1 . 1 108 108 ALA CB C 13 16.829 0.069 . 1 . . . . . 108 ALA CB . 50424 1 790 . 1 . 1 108 108 ALA N N 15 121.633 0.028 . 1 . . . . . 108 ALA N . 50424 1 791 . 1 . 1 109 109 ASP H H 1 8.461 0.002 . 1 . . . . . 109 ASP H . 50424 1 792 . 1 . 1 109 109 ASP HA H 1 4.604 0.000 . 1 . . . . . 109 ASP HA . 50424 1 793 . 1 . 1 109 109 ASP HB2 H 1 3.120 0.000 . 2 . . . . . 109 ASP HB2 . 50424 1 794 . 1 . 1 109 109 ASP HB3 H 1 2.378 0.000 . 2 . . . . . 109 ASP HB3 . 50424 1 795 . 1 . 1 109 109 ASP C C 13 177.344 0.014 . 1 . . . . . 109 ASP C . 50424 1 796 . 1 . 1 109 109 ASP CA C 13 53.073 0.072 . 1 . . . . . 109 ASP CA . 50424 1 797 . 1 . 1 109 109 ASP CB C 13 40.904 0.056 . 1 . . . . . 109 ASP CB . 50424 1 798 . 1 . 1 109 109 ASP N N 15 117.735 0.020 . 1 . . . . . 109 ASP N . 50424 1 799 . 1 . 1 110 110 GLY H H 1 10.369 0.003 . 1 . . . . . 110 GLY H . 50424 1 800 . 1 . 1 110 110 GLY HA2 H 1 3.951 0.000 . 2 . . . . . 110 GLY HA2 . 50424 1 801 . 1 . 1 110 110 GLY HA3 H 1 3.358 0.000 . 2 . . . . . 110 GLY HA3 . 50424 1 802 . 1 . 1 110 110 GLY C C 13 172.311 0.009 . 1 . . . . . 110 GLY C . 50424 1 803 . 1 . 1 110 110 GLY CA C 13 44.997 0.060 . 1 . . . . . 110 GLY CA . 50424 1 804 . 1 . 1 110 110 GLY N N 15 112.021 0.024 . 1 . . . . . 110 GLY N . 50424 1 805 . 1 . 1 111 111 TYR H H 1 7.999 0.002 . 1 . . . . . 111 TYR H . 50424 1 806 . 1 . 1 111 111 TYR HA H 1 5.193 0.000 . 1 . . . . . 111 TYR HA . 50424 1 807 . 1 . 1 111 111 TYR HB2 H 1 2.607 0.000 . 2 . . . . . 111 TYR HB2 . 50424 1 808 . 1 . 1 111 111 TYR HB3 H 1 2.481 0.000 . 2 . . . . . 111 TYR HB3 . 50424 1 809 . 1 . 1 111 111 TYR C C 13 174.741 0.021 . 1 . . . . . 111 TYR C . 50424 1 810 . 1 . 1 111 111 TYR CA C 13 55.908 0.037 . 1 . . . . . 111 TYR CA . 50424 1 811 . 1 . 1 111 111 TYR CB C 13 43.000 0.050 . 1 . . . . . 111 TYR CB . 50424 1 812 . 1 . 1 111 111 TYR N N 15 115.749 0.028 . 1 . . . . . 111 TYR N . 50424 1 813 . 1 . 1 112 112 ILE H H 1 9.982 0.003 . 1 . . . . . 112 ILE H . 50424 1 814 . 1 . 1 112 112 ILE HA H 1 4.813 0.000 . 1 . . . . . 112 ILE HA . 50424 1 815 . 1 . 1 112 112 ILE HB H 1 1.749 0.000 . 1 . . . . . 112 ILE HB . 50424 1 816 . 1 . 1 112 112 ILE C C 13 175.688 0.021 . 1 . . . . . 112 ILE C . 50424 1 817 . 1 . 1 112 112 ILE CA C 13 59.616 0.028 . 1 . . . . . 112 ILE CA . 50424 1 818 . 1 . 1 112 112 ILE CB C 13 38.295 0.020 . 1 . . . . . 112 ILE CB . 50424 1 819 . 1 . 1 112 112 ILE N N 15 126.039 0.025 . 1 . . . . . 112 ILE N . 50424 1 820 . 1 . 1 113 113 ASP H H 1 8.902 0.003 . 1 . . . . . 113 ASP H . 50424 1 821 . 1 . 1 113 113 ASP HA H 1 4.765 0.000 . 1 . . . . . 113 ASP HA . 50424 1 822 . 1 . 1 113 113 ASP HB2 H 1 3.266 0.000 . 2 . . . . . 113 ASP HB2 . 50424 1 823 . 1 . 1 113 113 ASP HB3 H 1 2.429 0.000 . 2 . . . . . 113 ASP HB3 . 50424 1 824 . 1 . 1 113 113 ASP C C 13 175.462 0.014 . 1 . . . . . 113 ASP C . 50424 1 825 . 1 . 1 113 113 ASP CA C 13 51.908 0.057 . 1 . . . . . 113 ASP CA . 50424 1 826 . 1 . 1 113 113 ASP CB C 13 41.751 0.073 . 1 . . . . . 113 ASP CB . 50424 1 827 . 1 . 1 113 113 ASP N N 15 128.474 0.033 . 1 . . . . . 113 ASP N . 50424 1 828 . 1 . 1 114 114 LEU H H 1 8.510 0.002 . 1 . . . . . 114 LEU H . 50424 1 829 . 1 . 1 114 114 LEU HA H 1 3.876 0.000 . 1 . . . . . 114 LEU HA . 50424 1 830 . 1 . 1 114 114 LEU HB2 H 1 1.658 0.000 . 2 . . . . . 114 LEU HB2 . 50424 1 831 . 1 . 1 114 114 LEU HB3 H 1 1.617 0.000 . 2 . . . . . 114 LEU HB3 . 50424 1 832 . 1 . 1 114 114 LEU C C 13 178.696 0.012 . 1 . . . . . 114 LEU C . 50424 1 833 . 1 . 1 114 114 LEU CA C 13 58.973 0.041 . 1 . . . . . 114 LEU CA . 50424 1 834 . 1 . 1 114 114 LEU CB C 13 41.922 0.002 . 1 . . . . . 114 LEU CB . 50424 1 835 . 1 . 1 114 114 LEU N N 15 118.073 0.031 . 1 . . . . . 114 LEU N . 50424 1 836 . 1 . 1 115 115 GLU H H 1 7.895 0.002 . 1 . . . . . 115 GLU H . 50424 1 837 . 1 . 1 115 115 GLU HA H 1 4.290 0.000 . 1 . . . . . 115 GLU HA . 50424 1 838 . 1 . 1 115 115 GLU HB2 H 1 2.726 0.000 . 2 . . . . . 115 GLU HB2 . 50424 1 839 . 1 . 1 115 115 GLU HB3 H 1 2.598 0.000 . 2 . . . . . 115 GLU HB3 . 50424 1 840 . 1 . 1 115 115 GLU C C 13 179.446 0.010 . 1 . . . . . 115 GLU C . 50424 1 841 . 1 . 1 115 115 GLU CA C 13 57.638 0.021 . 1 . . . . . 115 GLU CA . 50424 1 842 . 1 . 1 115 115 GLU CB C 13 40.635 0.032 . 1 . . . . . 115 GLU CB . 50424 1 843 . 1 . 1 115 115 GLU N N 15 118.044 0.025 . 1 . . . . . 115 GLU N . 50424 1 844 . 1 . 1 116 116 GLU H H 1 8.572 0.002 . 1 . . . . . 116 GLU H . 50424 1 845 . 1 . 1 116 116 GLU HA H 1 3.926 0.000 . 1 . . . . . 116 GLU HA . 50424 1 846 . 1 . 1 116 116 GLU HB2 H 1 1.811 0.000 . 1 . . . . . 116 GLU HB2 . 50424 1 847 . 1 . 1 116 116 GLU C C 13 179.727 0.021 . 1 . . . . . 116 GLU C . 50424 1 848 . 1 . 1 116 116 GLU CA C 13 58.610 0.055 . 1 . . . . . 116 GLU CA . 50424 1 849 . 1 . 1 116 116 GLU CB C 13 29.821 0.024 . 1 . . . . . 116 GLU CB . 50424 1 850 . 1 . 1 116 116 GLU N N 15 121.024 0.030 . 1 . . . . . 116 GLU N . 50424 1 851 . 1 . 1 117 117 LEU H H 1 8.571 0.002 . 1 . . . . . 117 LEU H . 50424 1 852 . 1 . 1 117 117 LEU HA H 1 3.878 0.000 . 1 . . . . . 117 LEU HA . 50424 1 853 . 1 . 1 117 117 LEU HB2 H 1 1.837 0.000 . 2 . . . . . 117 LEU HB2 . 50424 1 854 . 1 . 1 117 117 LEU HB3 H 1 1.447 0.000 . 2 . . . . . 117 LEU HB3 . 50424 1 855 . 1 . 1 117 117 LEU C C 13 178.196 0.000 . 1 . . . . . 117 LEU C . 50424 1 856 . 1 . 1 117 117 LEU CA C 13 56.931 0.000 . 1 . . . . . 117 LEU CA . 50424 1 857 . 1 . 1 117 117 LEU CB C 13 41.820 0.001 . 1 . . . . . 117 LEU CB . 50424 1 858 . 1 . 1 117 117 LEU N N 15 120.389 0.030 . 1 . . . . . 117 LEU N . 50424 1 859 . 1 . 1 118 118 LYS H H 1 8.069 0.006 . 1 . . . . . 118 LYS H . 50424 1 860 . 1 . 1 118 118 LYS HA H 1 3.735 0.000 . 1 . . . . . 118 LYS HA . 50424 1 861 . 1 . 1 118 118 LYS HB2 H 1 1.938 0.000 . 1 . . . . . 118 LYS HB2 . 50424 1 862 . 1 . 1 118 118 LYS HB3 H 1 1.938 0.000 . 1 . . . . . 118 LYS HB3 . 50424 1 863 . 1 . 1 118 118 LYS C C 13 178.553 0.000 . 1 . . . . . 118 LYS C . 50424 1 864 . 1 . 1 118 118 LYS CA C 13 60.539 0.085 . 1 . . . . . 118 LYS CA . 50424 1 865 . 1 . 1 118 118 LYS CB C 13 32.396 0.058 . 1 . . . . . 118 LYS CB . 50424 1 866 . 1 . 1 118 118 LYS N N 15 117.959 0.013 . 1 . . . . . 118 LYS N . 50424 1 867 . 1 . 1 119 119 ILE H H 1 7.481 0.001 . 1 . . . . . 119 ILE H . 50424 1 868 . 1 . 1 119 119 ILE HA H 1 3.716 0.000 . 1 . . . . . 119 ILE HA . 50424 1 869 . 1 . 1 119 119 ILE HB H 1 1.949 0.000 . 1 . . . . . 119 ILE HB . 50424 1 870 . 1 . 1 119 119 ILE C C 13 178.572 0.009 . 1 . . . . . 119 ILE C . 50424 1 871 . 1 . 1 119 119 ILE CA C 13 64.411 0.064 . 1 . . . . . 119 ILE CA . 50424 1 872 . 1 . 1 119 119 ILE CB C 13 37.864 0.000 . 1 . . . . . 119 ILE CB . 50424 1 873 . 1 . 1 119 119 ILE N N 15 118.102 0.024 . 1 . . . . . 119 ILE N . 50424 1 874 . 1 . 1 120 120 MET H H 1 7.868 0.002 . 1 . . . . . 120 MET H . 50424 1 875 . 1 . 1 120 120 MET HA H 1 3.257 0.000 . 1 . . . . . 120 MET HA . 50424 1 876 . 1 . 1 120 120 MET HB2 H 1 1.933 0.000 . 2 . . . . . 120 MET HB2 . 50424 1 877 . 1 . 1 120 120 MET HB3 H 1 1.447 0.000 . 2 . . . . . 120 MET HB3 . 50424 1 878 . 1 . 1 120 120 MET C C 13 178.494 0.002 . 1 . . . . . 120 MET C . 50424 1 879 . 1 . 1 120 120 MET CA C 13 58.512 0.000 . 1 . . . . . 120 MET CA . 50424 1 880 . 1 . 1 120 120 MET CB C 13 32.979 0.005 . 1 . . . . . 120 MET CB . 50424 1 881 . 1 . 1 120 120 MET N N 15 120.289 0.020 . 1 . . . . . 120 MET N . 50424 1 882 . 1 . 1 121 121 LEU H H 1 8.349 0.003 . 1 . . . . . 121 LEU H . 50424 1 883 . 1 . 1 121 121 LEU HA H 1 4.014 0.000 . 1 . . . . . 121 LEU HA . 50424 1 884 . 1 . 1 121 121 LEU HB2 H 1 1.711 0.000 . 2 . . . . . 121 LEU HB2 . 50424 1 885 . 1 . 1 121 121 LEU HB3 H 1 1.423 0.000 . 2 . . . . . 121 LEU HB3 . 50424 1 886 . 1 . 1 121 121 LEU C C 13 179.260 0.021 . 1 . . . . . 121 LEU C . 50424 1 887 . 1 . 1 121 121 LEU CA C 13 56.920 0.029 . 1 . . . . . 121 LEU CA . 50424 1 888 . 1 . 1 121 121 LEU CB C 13 41.129 0.035 . 1 . . . . . 121 LEU CB . 50424 1 889 . 1 . 1 121 121 LEU N N 15 118.152 0.028 . 1 . . . . . 121 LEU N . 50424 1 890 . 1 . 1 122 122 GLN H H 1 8.042 0.002 . 1 . . . . . 122 GLN H . 50424 1 891 . 1 . 1 122 122 GLN HA H 1 4.184 0.000 . 1 . . . . . 122 GLN HA . 50424 1 892 . 1 . 1 122 122 GLN HB2 H 1 2.122 0.000 . 1 . . . . . 122 GLN HB2 . 50424 1 893 . 1 . 1 122 122 GLN HB3 H 1 2.122 0.000 . 1 . . . . . 122 GLN HB3 . 50424 1 894 . 1 . 1 122 122 GLN C C 13 178.113 0.000 . 1 . . . . . 122 GLN C . 50424 1 895 . 1 . 1 122 122 GLN CA C 13 57.854 0.008 . 1 . . . . . 122 GLN CA . 50424 1 896 . 1 . 1 122 122 GLN CB C 13 28.523 0.067 . 1 . . . . . 122 GLN CB . 50424 1 897 . 1 . 1 122 122 GLN N N 15 117.970 0.004 . 1 . . . . . 122 GLN N . 50424 1 898 . 1 . 1 123 123 ALA H H 1 7.877 0.002 . 1 . . . . . 123 ALA H . 50424 1 899 . 1 . 1 123 123 ALA HA H 1 4.270 0.000 . 1 . . . . . 123 ALA HA . 50424 1 900 . 1 . 1 123 123 ALA HB1 H 1 1.569 0.000 . 1 . . . . . 123 ALA HB1 . 50424 1 901 . 1 . 1 123 123 ALA HB2 H 1 1.569 0.000 . 1 . . . . . 123 ALA HB2 . 50424 1 902 . 1 . 1 123 123 ALA HB3 H 1 1.569 0.000 . 1 . . . . . 123 ALA HB3 . 50424 1 903 . 1 . 1 123 123 ALA C C 13 178.759 0.000 . 1 . . . . . 123 ALA C . 50424 1 904 . 1 . 1 123 123 ALA CA C 13 54.046 0.062 . 1 . . . . . 123 ALA CA . 50424 1 905 . 1 . 1 123 123 ALA CB C 13 18.814 0.000 . 1 . . . . . 123 ALA CB . 50424 1 906 . 1 . 1 123 123 ALA N N 15 122.047 0.034 . 1 . . . . . 123 ALA N . 50424 1 907 . 1 . 1 124 124 THR H H 1 7.742 0.002 . 1 . . . . . 124 THR H . 50424 1 908 . 1 . 1 124 124 THR HA H 1 4.375 0.000 . 1 . . . . . 124 THR HA . 50424 1 909 . 1 . 1 124 124 THR HB H 1 4.348 0.000 . 1 . . . . . 124 THR HB . 50424 1 910 . 1 . 1 124 124 THR C C 13 175.552 0.009 . 1 . . . . . 124 THR C . 50424 1 911 . 1 . 1 124 124 THR CA C 13 62.232 0.080 . 1 . . . . . 124 THR CA . 50424 1 912 . 1 . 1 124 124 THR CB C 13 70.034 0.094 . 1 . . . . . 124 THR CB . 50424 1 913 . 1 . 1 124 124 THR N N 15 107.624 0.036 . 1 . . . . . 124 THR N . 50424 1 914 . 1 . 1 125 125 GLY H H 1 7.928 0.002 . 1 . . . . . 125 GLY H . 50424 1 915 . 1 . 1 125 125 GLY HA2 H 1 4.088 0.000 . 2 . . . . . 125 GLY HA2 . 50424 1 916 . 1 . 1 125 125 GLY HA3 H 1 3.826 0.000 . 2 . . . . . 125 GLY HA3 . 50424 1 917 . 1 . 1 125 125 GLY C C 13 174.187 0.017 . 1 . . . . . 125 GLY C . 50424 1 918 . 1 . 1 125 125 GLY CA C 13 45.593 0.000 . 1 . . . . . 125 GLY CA . 50424 1 919 . 1 . 1 125 125 GLY N N 15 109.499 0.017 . 1 . . . . . 125 GLY N . 50424 1 920 . 1 . 1 126 126 GLU H H 1 8.060 0.003 . 1 . . . . . 126 GLU H . 50424 1 921 . 1 . 1 126 126 GLU HA H 1 4.313 0.000 . 1 . . . . . 126 GLU HA . 50424 1 922 . 1 . 1 126 126 GLU HB2 H 1 1.962 0.000 . 2 . . . . . 126 GLU HB2 . 50424 1 923 . 1 . 1 126 126 GLU HB3 H 1 1.770 0.000 . 2 . . . . . 126 GLU HB3 . 50424 1 924 . 1 . 1 126 126 GLU C C 13 176.529 0.024 . 1 . . . . . 126 GLU C . 50424 1 925 . 1 . 1 126 126 GLU CA C 13 56.064 0.025 . 1 . . . . . 126 GLU CA . 50424 1 926 . 1 . 1 126 126 GLU CB C 13 30.213 0.001 . 1 . . . . . 126 GLU CB . 50424 1 927 . 1 . 1 126 126 GLU N N 15 120.069 0.028 . 1 . . . . . 126 GLU N . 50424 1 928 . 1 . 1 127 127 THR H H 1 8.562 0.003 . 1 . . . . . 127 THR H . 50424 1 929 . 1 . 1 127 127 THR HA H 1 4.218 0.000 . 1 . . . . . 127 THR HA . 50424 1 930 . 1 . 1 127 127 THR HB H 1 4.093 0.000 . 1 . . . . . 127 THR HB . 50424 1 931 . 1 . 1 127 127 THR C C 13 173.905 0.021 . 1 . . . . . 127 THR C . 50424 1 932 . 1 . 1 127 127 THR CA C 13 62.485 0.082 . 1 . . . . . 127 THR CA . 50424 1 933 . 1 . 1 127 127 THR CB C 13 69.120 0.083 . 1 . . . . . 127 THR CB . 50424 1 934 . 1 . 1 127 127 THR N N 15 116.828 0.040 . 1 . . . . . 127 THR N . 50424 1 935 . 1 . 1 128 128 ILE H H 1 8.117 0.002 . 1 . . . . . 128 ILE H . 50424 1 936 . 1 . 1 128 128 ILE HA H 1 4.521 0.000 . 1 . . . . . 128 ILE HA . 50424 1 937 . 1 . 1 128 128 ILE HB H 1 1.836 0.000 . 1 . . . . . 128 ILE HB . 50424 1 938 . 1 . 1 128 128 ILE C C 13 175.359 0.023 . 1 . . . . . 128 ILE C . 50424 1 939 . 1 . 1 128 128 ILE CA C 13 59.647 0.012 . 1 . . . . . 128 ILE CA . 50424 1 940 . 1 . 1 128 128 ILE CB C 13 39.859 0.075 . 1 . . . . . 128 ILE CB . 50424 1 941 . 1 . 1 128 128 ILE N N 15 124.379 0.034 . 1 . . . . . 128 ILE N . 50424 1 942 . 1 . 1 129 129 THR H H 1 8.849 0.002 . 1 . . . . . 129 THR H . 50424 1 943 . 1 . 1 129 129 THR HA H 1 4.546 0.000 . 1 . . . . . 129 THR HA . 50424 1 944 . 1 . 1 129 129 THR HB H 1 4.502 0.000 . 1 . . . . . 129 THR HB . 50424 1 945 . 1 . 1 129 129 THR C C 13 175.434 0.000 . 1 . . . . . 129 THR C . 50424 1 946 . 1 . 1 129 129 THR CA C 13 60.705 0.052 . 1 . . . . . 129 THR CA . 50424 1 947 . 1 . 1 129 129 THR CB C 13 71.557 0.076 . 1 . . . . . 129 THR CB . 50424 1 948 . 1 . 1 129 129 THR N N 15 116.915 0.027 . 1 . . . . . 129 THR N . 50424 1 949 . 1 . 1 130 130 GLU H H 1 8.938 0.003 . 1 . . . . . 130 GLU H . 50424 1 950 . 1 . 1 130 130 GLU HA H 1 3.883 0.000 . 1 . . . . . 130 GLU HA . 50424 1 951 . 1 . 1 130 130 GLU HB2 H 1 2.013 0.000 . 1 . . . . . 130 GLU HB2 . 50424 1 952 . 1 . 1 130 130 GLU HB3 H 1 2.013 0.000 . 1 . . . . . 130 GLU HB3 . 50424 1 953 . 1 . 1 130 130 GLU C C 13 178.409 0.018 . 1 . . . . . 130 GLU C . 50424 1 954 . 1 . 1 130 130 GLU CA C 13 60.079 0.035 . 1 . . . . . 130 GLU CA . 50424 1 955 . 1 . 1 130 130 GLU CB C 13 29.313 0.053 . 1 . . . . . 130 GLU CB . 50424 1 956 . 1 . 1 130 130 GLU N N 15 120.654 0.030 . 1 . . . . . 130 GLU N . 50424 1 957 . 1 . 1 131 131 ASP H H 1 8.226 0.002 . 1 . . . . . 131 ASP H . 50424 1 958 . 1 . 1 131 131 ASP HA H 1 4.332 0.000 . 1 . . . . . 131 ASP HA . 50424 1 959 . 1 . 1 131 131 ASP HB2 H 1 2.605 0.000 . 2 . . . . . 131 ASP HB2 . 50424 1 960 . 1 . 1 131 131 ASP HB3 H 1 2.460 0.000 . 2 . . . . . 131 ASP HB3 . 50424 1 961 . 1 . 1 131 131 ASP C C 13 178.084 0.020 . 1 . . . . . 131 ASP C . 50424 1 962 . 1 . 1 131 131 ASP CA C 13 56.855 0.030 . 1 . . . . . 131 ASP CA . 50424 1 963 . 1 . 1 131 131 ASP CB C 13 40.465 0.040 . 1 . . . . . 131 ASP CB . 50424 1 964 . 1 . 1 131 131 ASP N N 15 117.833 0.029 . 1 . . . . . 131 ASP N . 50424 1 965 . 1 . 1 132 132 ASP H H 1 7.725 0.002 . 1 . . . . . 132 ASP H . 50424 1 966 . 1 . 1 132 132 ASP HA H 1 4.389 0.000 . 1 . . . . . 132 ASP HA . 50424 1 967 . 1 . 1 132 132 ASP HB2 H 1 2.931 0.000 . 2 . . . . . 132 ASP HB2 . 50424 1 968 . 1 . 1 132 132 ASP HB3 H 1 2.566 0.000 . 2 . . . . . 132 ASP HB3 . 50424 1 969 . 1 . 1 132 132 ASP C C 13 178.846 0.016 . 1 . . . . . 132 ASP C . 50424 1 970 . 1 . 1 132 132 ASP CA C 13 56.978 0.026 . 1 . . . . . 132 ASP CA . 50424 1 971 . 1 . 1 132 132 ASP CB C 13 40.565 0.002 . 1 . . . . . 132 ASP CB . 50424 1 972 . 1 . 1 132 132 ASP N N 15 120.123 0.025 . 1 . . . . . 132 ASP N . 50424 1 973 . 1 . 1 133 133 ILE H H 1 7.931 0.002 . 1 . . . . . 133 ILE H . 50424 1 974 . 1 . 1 133 133 ILE HA H 1 3.545 0.000 . 1 . . . . . 133 ILE HA . 50424 1 975 . 1 . 1 133 133 ILE HB H 1 1.909 0.000 . 1 . . . . . 133 ILE HB . 50424 1 976 . 1 . 1 133 133 ILE C C 13 176.935 0.018 . 1 . . . . . 133 ILE C . 50424 1 977 . 1 . 1 133 133 ILE CA C 13 64.766 0.066 . 1 . . . . . 133 ILE CA . 50424 1 978 . 1 . 1 133 133 ILE CB C 13 37.439 0.014 . 1 . . . . . 133 ILE CB . 50424 1 979 . 1 . 1 133 133 ILE N N 15 120.796 0.030 . 1 . . . . . 133 ILE N . 50424 1 980 . 1 . 1 134 134 GLU H H 1 8.031 0.002 . 1 . . . . . 134 GLU H . 50424 1 981 . 1 . 1 134 134 GLU HA H 1 3.796 0.000 . 1 . . . . . 134 GLU HA . 50424 1 982 . 1 . 1 134 134 GLU HB2 H 1 2.106 0.000 . 2 . . . . . 134 GLU HB2 . 50424 1 983 . 1 . 1 134 134 GLU HB3 H 1 2.014 0.000 . 2 . . . . . 134 GLU HB3 . 50424 1 984 . 1 . 1 134 134 GLU C C 13 179.276 0.023 . 1 . . . . . 134 GLU C . 50424 1 985 . 1 . 1 134 134 GLU CA C 13 59.831 0.040 . 1 . . . . . 134 GLU CA . 50424 1 986 . 1 . 1 134 134 GLU CB C 13 29.204 0.076 . 1 . . . . . 134 GLU CB . 50424 1 987 . 1 . 1 134 134 GLU N N 15 119.437 0.028 . 1 . . . . . 134 GLU N . 50424 1 988 . 1 . 1 135 135 GLU H H 1 7.790 0.002 . 1 . . . . . 135 GLU H . 50424 1 989 . 1 . 1 135 135 GLU HA H 1 3.948 0.000 . 1 . . . . . 135 GLU HA . 50424 1 990 . 1 . 1 135 135 GLU HB2 H 1 2.078 0.000 . 1 . . . . . 135 GLU HB2 . 50424 1 991 . 1 . 1 135 135 GLU HB3 H 1 2.078 0.000 . 1 . . . . . 135 GLU HB3 . 50424 1 992 . 1 . 1 135 135 GLU C C 13 178.439 0.004 . 1 . . . . . 135 GLU C . 50424 1 993 . 1 . 1 135 135 GLU CA C 13 59.175 0.005 . 1 . . . . . 135 GLU CA . 50424 1 994 . 1 . 1 135 135 GLU CB C 13 29.317 0.083 . 1 . . . . . 135 GLU CB . 50424 1 995 . 1 . 1 135 135 GLU N N 15 118.828 0.035 . 1 . . . . . 135 GLU N . 50424 1 996 . 1 . 1 136 136 LEU H H 1 7.887 0.002 . 1 . . . . . 136 LEU H . 50424 1 997 . 1 . 1 136 136 LEU HA H 1 3.982 0.000 . 1 . . . . . 136 LEU HA . 50424 1 998 . 1 . 1 136 136 LEU HB2 H 1 1.769 0.000 . 2 . . . . . 136 LEU HB2 . 50424 1 999 . 1 . 1 136 136 LEU HB3 H 1 1.507 0.000 . 2 . . . . . 136 LEU HB3 . 50424 1 1000 . 1 . 1 136 136 LEU C C 13 179.216 0.019 . 1 . . . . . 136 LEU C . 50424 1 1001 . 1 . 1 136 136 LEU CA C 13 58.050 0.054 . 1 . . . . . 136 LEU CA . 50424 1 1002 . 1 . 1 136 136 LEU CB C 13 41.913 0.066 . 1 . . . . . 136 LEU CB . 50424 1 1003 . 1 . 1 136 136 LEU N N 15 121.343 0.033 . 1 . . . . . 136 LEU N . 50424 1 1004 . 1 . 1 137 137 MET H H 1 8.175 0.002 . 1 . . . . . 137 MET H . 50424 1 1005 . 1 . 1 137 137 MET HA H 1 4.024 0.000 . 1 . . . . . 137 MET HA . 50424 1 1006 . 1 . 1 137 137 MET HB2 H 1 1.797 0.000 . 2 . . . . . 137 MET HB2 . 50424 1 1007 . 1 . 1 137 137 MET HB3 H 1 2.095 0.000 . 2 . . . . . 137 MET HB3 . 50424 1 1008 . 1 . 1 137 137 MET C C 13 177.346 0.016 . 1 . . . . . 137 MET C . 50424 1 1009 . 1 . 1 137 137 MET CA C 13 57.610 0.008 . 1 . . . . . 137 MET CA . 50424 1 1010 . 1 . 1 137 137 MET CB C 13 31.186 0.039 . 1 . . . . . 137 MET CB . 50424 1 1011 . 1 . 1 137 137 MET N N 15 117.463 0.025 . 1 . . . . . 137 MET N . 50424 1 1012 . 1 . 1 138 138 LYS H H 1 7.754 0.007 . 1 . . . . . 138 LYS H . 50424 1 1013 . 1 . 1 138 138 LYS HA H 1 3.985 0.000 . 1 . . . . . 138 LYS HA . 50424 1 1014 . 1 . 1 138 138 LYS HB2 H 1 1.831 0.000 . 1 . . . . . 138 LYS HB2 . 50424 1 1015 . 1 . 1 138 138 LYS HB3 H 1 1.831 0.000 . 1 . . . . . 138 LYS HB3 . 50424 1 1016 . 1 . 1 138 138 LYS C C 13 178.696 0.043 . 1 . . . . . 138 LYS C . 50424 1 1017 . 1 . 1 138 138 LYS CA C 13 59.150 0.009 . 1 . . . . . 138 LYS CA . 50424 1 1018 . 1 . 1 138 138 LYS CB C 13 32.299 0.042 . 1 . . . . . 138 LYS CB . 50424 1 1019 . 1 . 1 138 138 LYS N N 15 117.506 0.080 . 1 . . . . . 138 LYS N . 50424 1 1020 . 1 . 1 139 139 ASP H H 1 7.868 0.002 . 1 . . . . . 139 ASP H . 50424 1 1021 . 1 . 1 139 139 ASP HA H 1 4.439 0.000 . 1 . . . . . 139 ASP HA . 50424 1 1022 . 1 . 1 139 139 ASP HB2 H 1 2.758 0.000 . 2 . . . . . 139 ASP HB2 . 50424 1 1023 . 1 . 1 139 139 ASP HB3 H 1 2.726 0.000 . 2 . . . . . 139 ASP HB3 . 50424 1 1024 . 1 . 1 139 139 ASP C C 13 177.999 0.012 . 1 . . . . . 139 ASP C . 50424 1 1025 . 1 . 1 139 139 ASP CA C 13 56.281 0.009 . 1 . . . . . 139 ASP CA . 50424 1 1026 . 1 . 1 139 139 ASP CB C 13 41.514 0.021 . 1 . . . . . 139 ASP CB . 50424 1 1027 . 1 . 1 139 139 ASP N N 15 117.152 0.030 . 1 . . . . . 139 ASP N . 50424 1 1028 . 1 . 1 140 140 GLY H H 1 8.149 0.003 . 1 . . . . . 140 GLY H . 50424 1 1029 . 1 . 1 140 140 GLY HA2 H 1 4.005 0.000 . 2 . . . . . 140 GLY HA2 . 50424 1 1030 . 1 . 1 140 140 GLY HA3 H 1 3.055 0.000 . 2 . . . . . 140 GLY HA3 . 50424 1 1031 . 1 . 1 140 140 GLY C C 13 174.113 0.012 . 1 . . . . . 140 GLY C . 50424 1 1032 . 1 . 1 140 140 GLY CA C 13 45.670 0.083 . 1 . . . . . 140 GLY CA . 50424 1 1033 . 1 . 1 140 140 GLY N N 15 104.996 0.043 . 1 . . . . . 140 GLY N . 50424 1 1034 . 1 . 1 141 141 ASP H H 1 8.147 0.002 . 1 . . . . . 141 ASP H . 50424 1 1035 . 1 . 1 141 141 ASP HA H 1 4.519 0.000 . 1 . . . . . 141 ASP HA . 50424 1 1036 . 1 . 1 141 141 ASP HB2 H 1 2.902 0.000 . 2 . . . . . 141 ASP HB2 . 50424 1 1037 . 1 . 1 141 141 ASP HB3 H 1 2.345 0.000 . 2 . . . . . 141 ASP HB3 . 50424 1 1038 . 1 . 1 141 141 ASP C C 13 176.581 0.015 . 1 . . . . . 141 ASP C . 50424 1 1039 . 1 . 1 141 141 ASP CA C 13 53.026 0.081 . 1 . . . . . 141 ASP CA . 50424 1 1040 . 1 . 1 141 141 ASP CB C 13 39.497 0.037 . 1 . . . . . 141 ASP CB . 50424 1 1041 . 1 . 1 141 141 ASP N N 15 119.968 0.034 . 1 . . . . . 141 ASP N . 50424 1 1042 . 1 . 1 142 142 LYS H H 1 7.826 0.002 . 1 . . . . . 142 LYS H . 50424 1 1043 . 1 . 1 142 142 LYS HA H 1 4.111 0.000 . 1 . . . . . 142 LYS HA . 50424 1 1044 . 1 . 1 142 142 LYS HB2 H 1 1.889 0.000 . 1 . . . . . 142 LYS HB2 . 50424 1 1045 . 1 . 1 142 142 LYS HB3 H 1 1.889 0.000 . 1 . . . . . 142 LYS HB3 . 50424 1 1046 . 1 . 1 142 142 LYS C C 13 177.660 0.015 . 1 . . . . . 142 LYS C . 50424 1 1047 . 1 . 1 142 142 LYS CA C 13 57.711 0.037 . 1 . . . . . 142 LYS CA . 50424 1 1048 . 1 . 1 142 142 LYS CB C 13 32.842 0.052 . 1 . . . . . 142 LYS CB . 50424 1 1049 . 1 . 1 142 142 LYS N N 15 125.819 0.031 . 1 . . . . . 142 LYS N . 50424 1 1050 . 1 . 1 143 143 ASN H H 1 8.112 0.002 . 1 . . . . . 143 ASN H . 50424 1 1051 . 1 . 1 143 143 ASN HA H 1 4.762 0.000 . 1 . . . . . 143 ASN HA . 50424 1 1052 . 1 . 1 143 143 ASN HB2 H 1 3.234 0.000 . 2 . . . . . 143 ASN HB2 . 50424 1 1053 . 1 . 1 143 143 ASN HB3 H 1 2.771 0.000 . 2 . . . . . 143 ASN HB3 . 50424 1 1054 . 1 . 1 143 143 ASN C C 13 174.996 0.017 . 1 . . . . . 143 ASN C . 50424 1 1055 . 1 . 1 143 143 ASN CA C 13 51.581 0.050 . 1 . . . . . 143 ASN CA . 50424 1 1056 . 1 . 1 143 143 ASN CB C 13 37.043 0.047 . 1 . . . . . 143 ASN CB . 50424 1 1057 . 1 . 1 143 143 ASN N N 15 113.557 0.036 . 1 . . . . . 143 ASN N . 50424 1 1058 . 1 . 1 144 144 ASN H H 1 7.774 0.007 . 1 . . . . . 144 ASN H . 50424 1 1059 . 1 . 1 144 144 ASN HA H 1 4.397 0.000 . 1 . . . . . 144 ASN HA . 50424 1 1060 . 1 . 1 144 144 ASN HB2 H 1 2.987 0.000 . 2 . . . . . 144 ASN HB2 . 50424 1 1061 . 1 . 1 144 144 ASN HB3 H 1 2.595 0.000 . 2 . . . . . 144 ASN HB3 . 50424 1 1062 . 1 . 1 144 144 ASN C C 13 174.466 0.027 . 1 . . . . . 144 ASN C . 50424 1 1063 . 1 . 1 144 144 ASN CA C 13 55.010 0.024 . 1 . . . . . 144 ASN CA . 50424 1 1064 . 1 . 1 144 144 ASN CB C 13 37.555 0.066 . 1 . . . . . 144 ASN CB . 50424 1 1065 . 1 . 1 144 144 ASN N N 15 115.480 0.022 . 1 . . . . . 144 ASN N . 50424 1 1066 . 1 . 1 145 145 ASP H H 1 8.566 0.003 . 1 . . . . . 145 ASP H . 50424 1 1067 . 1 . 1 145 145 ASP HA H 1 4.630 0.000 . 1 . . . . . 145 ASP HA . 50424 1 1068 . 1 . 1 145 145 ASP HB2 H 1 2.921 0.000 . 2 . . . . . 145 ASP HB2 . 50424 1 1069 . 1 . 1 145 145 ASP HB3 H 1 2.328 0.000 . 2 . . . . . 145 ASP HB3 . 50424 1 1070 . 1 . 1 145 145 ASP C C 13 177.912 0.002 . 1 . . . . . 145 ASP C . 50424 1 1071 . 1 . 1 145 145 ASP CA C 13 52.961 0.006 . 1 . . . . . 145 ASP CA . 50424 1 1072 . 1 . 1 145 145 ASP CB C 13 40.786 0.099 . 1 . . . . . 145 ASP CB . 50424 1 1073 . 1 . 1 145 145 ASP N N 15 117.812 0.038 . 1 . . . . . 145 ASP N . 50424 1 1074 . 1 . 1 146 146 GLY H H 1 10.389 0.003 . 1 . . . . . 146 GLY H . 50424 1 1075 . 1 . 1 146 146 GLY HA2 H 1 3.971 0.000 . 2 . . . . . 146 GLY HA2 . 50424 1 1076 . 1 . 1 146 146 GLY HA3 H 1 3.413 0.000 . 2 . . . . . 146 GLY HA3 . 50424 1 1077 . 1 . 1 146 146 GLY C C 13 172.902 0.003 . 1 . . . . . 146 GLY C . 50424 1 1078 . 1 . 1 146 146 GLY CA C 13 45.757 0.082 . 1 . . . . . 146 GLY CA . 50424 1 1079 . 1 . 1 146 146 GLY N N 15 112.872 0.030 . 1 . . . . . 146 GLY N . 50424 1 1080 . 1 . 1 147 147 ARG H H 1 7.755 0.002 . 1 . . . . . 147 ARG H . 50424 1 1081 . 1 . 1 147 147 ARG HA H 1 4.717 0.000 . 1 . . . . . 147 ARG HA . 50424 1 1082 . 1 . 1 147 147 ARG HB2 H 1 1.528 0.000 . 2 . . . . . 147 ARG HB2 . 50424 1 1083 . 1 . 1 147 147 ARG HB3 H 1 1.411 0.000 . 2 . . . . . 147 ARG HB3 . 50424 1 1084 . 1 . 1 147 147 ARG C C 13 174.422 0.002 . 1 . . . . . 147 ARG C . 50424 1 1085 . 1 . 1 147 147 ARG CA C 13 53.902 0.045 . 1 . . . . . 147 ARG CA . 50424 1 1086 . 1 . 1 147 147 ARG CB C 13 34.158 0.027 . 1 . . . . . 147 ARG CB . 50424 1 1087 . 1 . 1 147 147 ARG N N 15 115.593 0.025 . 1 . . . . . 147 ARG N . 50424 1 1088 . 1 . 1 148 148 ILE H H 1 9.257 0.003 . 1 . . . . . 148 ILE H . 50424 1 1089 . 1 . 1 148 148 ILE HA H 1 5.179 0.000 . 1 . . . . . 148 ILE HA . 50424 1 1090 . 1 . 1 148 148 ILE HB H 1 2.016 0.000 . 1 . . . . . 148 ILE HB . 50424 1 1091 . 1 . 1 148 148 ILE C C 13 175.919 0.012 . 1 . . . . . 148 ILE C . 50424 1 1092 . 1 . 1 148 148 ILE CA C 13 59.353 0.070 . 1 . . . . . 148 ILE CA . 50424 1 1093 . 1 . 1 148 148 ILE CB C 13 39.111 0.033 . 1 . . . . . 148 ILE CB . 50424 1 1094 . 1 . 1 148 148 ILE N N 15 125.741 0.038 . 1 . . . . . 148 ILE N . 50424 1 1095 . 1 . 1 149 149 ASP H H 1 9.249 0.003 . 1 . . . . . 149 ASP H . 50424 1 1096 . 1 . 1 149 149 ASP HA H 1 5.169 0.000 . 1 . . . . . 149 ASP HA . 50424 1 1097 . 1 . 1 149 149 ASP HB2 H 1 2.785 0.000 . 2 . . . . . 149 ASP HB2 . 50424 1 1098 . 1 . 1 149 149 ASP HB3 H 1 3.170 0.000 . 2 . . . . . 149 ASP HB3 . 50424 1 1099 . 1 . 1 149 149 ASP C C 13 175.433 0.010 . 1 . . . . . 149 ASP C . 50424 1 1100 . 1 . 1 149 149 ASP CA C 13 52.334 0.028 . 1 . . . . . 149 ASP CA . 50424 1 1101 . 1 . 1 149 149 ASP CB C 13 41.775 0.052 . 1 . . . . . 149 ASP CB . 50424 1 1102 . 1 . 1 149 149 ASP N N 15 128.498 0.030 . 1 . . . . . 149 ASP N . 50424 1 1103 . 1 . 1 150 150 TYR H H 1 8.508 0.002 . 1 . . . . . 150 TYR H . 50424 1 1104 . 1 . 1 150 150 TYR HA H 1 3.301 0.000 . 1 . . . . . 150 TYR HA . 50424 1 1105 . 1 . 1 150 150 TYR C C 13 176.277 0.008 . 1 . . . . . 150 TYR C . 50424 1 1106 . 1 . 1 150 150 TYR CA C 13 62.097 0.000 . 1 . . . . . 150 TYR CA . 50424 1 1107 . 1 . 1 150 150 TYR CB C 13 38.292 0.001 . 1 . . . . . 150 TYR CB . 50424 1 1108 . 1 . 1 150 150 TYR N N 15 118.676 0.033 . 1 . . . . . 150 TYR N . 50424 1 1109 . 1 . 1 151 151 ASP H H 1 7.784 0.003 . 1 . . . . . 151 ASP H . 50424 1 1110 . 1 . 1 151 151 ASP HA H 1 4.092 0.000 . 1 . . . . . 151 ASP HA . 50424 1 1111 . 1 . 1 151 151 ASP HB2 H 1 2.650 0.000 . 2 . . . . . 151 ASP HB2 . 50424 1 1112 . 1 . 1 151 151 ASP HB3 H 1 2.534 0.000 . 2 . . . . . 151 ASP HB3 . 50424 1 1113 . 1 . 1 151 151 ASP C C 13 180.462 0.001 . 1 . . . . . 151 ASP C . 50424 1 1114 . 1 . 1 151 151 ASP CA C 13 57.855 0.012 . 1 . . . . . 151 ASP CA . 50424 1 1115 . 1 . 1 151 151 ASP CB C 13 40.483 0.005 . 1 . . . . . 151 ASP CB . 50424 1 1116 . 1 . 1 151 151 ASP N N 15 117.521 0.029 . 1 . . . . . 151 ASP N . 50424 1 1117 . 1 . 1 152 152 GLU H H 1 8.850 0.003 . 1 . . . . . 152 GLU H . 50424 1 1118 . 1 . 1 152 152 GLU HA H 1 4.028 0.000 . 1 . . . . . 152 GLU HA . 50424 1 1119 . 1 . 1 152 152 GLU HB2 H 1 2.217 0.000 . 2 . . . . . 152 GLU HB2 . 50424 1 1120 . 1 . 1 152 152 GLU HB3 H 1 2.539 0.000 . 2 . . . . . 152 GLU HB3 . 50424 1 1121 . 1 . 1 152 152 GLU C C 13 180.068 0.019 . 1 . . . . . 152 GLU C . 50424 1 1122 . 1 . 1 152 152 GLU CA C 13 58.573 0.018 . 1 . . . . . 152 GLU CA . 50424 1 1123 . 1 . 1 152 152 GLU CB C 13 30.043 0.082 . 1 . . . . . 152 GLU CB . 50424 1 1124 . 1 . 1 152 152 GLU N N 15 120.589 0.032 . 1 . . . . . 152 GLU N . 50424 1 1125 . 1 . 1 153 153 PHE H H 1 9.271 0.003 . 1 . . . . . 153 PHE H . 50424 1 1126 . 1 . 1 153 153 PHE HA H 1 3.986 0.000 . 1 . . . . . 153 PHE HA . 50424 1 1127 . 1 . 1 153 153 PHE HB2 H 1 3.309 0.000 . 2 . . . . . 153 PHE HB2 . 50424 1 1128 . 1 . 1 153 153 PHE HB3 H 1 3.224 0.000 . 2 . . . . . 153 PHE HB3 . 50424 1 1129 . 1 . 1 153 153 PHE C C 13 176.306 0.015 . 1 . . . . . 153 PHE C . 50424 1 1130 . 1 . 1 153 153 PHE CA C 13 61.781 0.081 . 1 . . . . . 153 PHE CA . 50424 1 1131 . 1 . 1 153 153 PHE CB C 13 39.761 0.024 . 1 . . . . . 153 PHE CB . 50424 1 1132 . 1 . 1 153 153 PHE N N 15 124.126 0.037 . 1 . . . . . 153 PHE N . 50424 1 1133 . 1 . 1 154 154 LEU H H 1 8.183 0.002 . 1 . . . . . 154 LEU H . 50424 1 1134 . 1 . 1 154 154 LEU HA H 1 3.576 0.000 . 1 . . . . . 154 LEU HA . 50424 1 1135 . 1 . 1 154 154 LEU HB2 H 1 1.644 0.000 . 2 . . . . . 154 LEU HB2 . 50424 1 1136 . 1 . 1 154 154 LEU HB3 H 1 1.237 0.000 . 2 . . . . . 154 LEU HB3 . 50424 1 1137 . 1 . 1 154 154 LEU C C 13 179.236 0.015 . 1 . . . . . 154 LEU C . 50424 1 1138 . 1 . 1 154 154 LEU CA C 13 58.218 0.059 . 1 . . . . . 154 LEU CA . 50424 1 1139 . 1 . 1 154 154 LEU CB C 13 41.636 0.040 . 1 . . . . . 154 LEU CB . 50424 1 1140 . 1 . 1 154 154 LEU N N 15 118.348 0.031 . 1 . . . . . 154 LEU N . 50424 1 1141 . 1 . 1 155 155 GLU H H 1 7.264 0.003 . 1 . . . . . 155 GLU H . 50424 1 1142 . 1 . 1 155 155 GLU HA H 1 3.909 0.000 . 1 . . . . . 155 GLU HA . 50424 1 1143 . 1 . 1 155 155 GLU HB2 H 1 2.000 0.000 . 1 . . . . . 155 GLU HB2 . 50424 1 1144 . 1 . 1 155 155 GLU HB3 H 1 2.000 0.000 . 1 . . . . . 155 GLU HB3 . 50424 1 1145 . 1 . 1 155 155 GLU C C 13 178.749 0.027 . 1 . . . . . 155 GLU C . 50424 1 1146 . 1 . 1 155 155 GLU CA C 13 58.846 0.083 . 1 . . . . . 155 GLU CA . 50424 1 1147 . 1 . 1 155 155 GLU CB C 13 29.619 0.063 . 1 . . . . . 155 GLU CB . 50424 1 1148 . 1 . 1 155 155 GLU N N 15 116.063 0.036 . 1 . . . . . 155 GLU N . 50424 1 1149 . 1 . 1 156 156 PHE H H 1 8.339 0.002 . 1 . . . . . 156 PHE H . 50424 1 1150 . 1 . 1 156 156 PHE HA H 1 4.267 0.000 . 1 . . . . . 156 PHE HA . 50424 1 1151 . 1 . 1 156 156 PHE HB2 H 1 3.228 0.000 . 2 . . . . . 156 PHE HB2 . 50424 1 1152 . 1 . 1 156 156 PHE HB3 H 1 3.011 0.000 . 2 . . . . . 156 PHE HB3 . 50424 1 1153 . 1 . 1 156 156 PHE C C 13 177.660 0.004 . 1 . . . . . 156 PHE C . 50424 1 1154 . 1 . 1 156 156 PHE CA C 13 59.888 0.060 . 1 . . . . . 156 PHE CA . 50424 1 1155 . 1 . 1 156 156 PHE CB C 13 39.842 0.053 . 1 . . . . . 156 PHE CB . 50424 1 1156 . 1 . 1 156 156 PHE N N 15 120.681 0.026 . 1 . . . . . 156 PHE N . 50424 1 1157 . 1 . 1 157 157 MET H H 1 8.125 0.002 . 1 . . . . . 157 MET H . 50424 1 1158 . 1 . 1 157 157 MET HA H 1 4.080 0.000 . 1 . . . . . 157 MET HA . 50424 1 1159 . 1 . 1 157 157 MET HB2 H 1 1.637 0.000 . 2 . . . . . 157 MET HB2 . 50424 1 1160 . 1 . 1 157 157 MET HB3 H 1 1.525 0.000 . 2 . . . . . 157 MET HB3 . 50424 1 1161 . 1 . 1 157 157 MET C C 13 178.082 0.009 . 1 . . . . . 157 MET C . 50424 1 1162 . 1 . 1 157 157 MET CA C 13 54.690 0.016 . 1 . . . . . 157 MET CA . 50424 1 1163 . 1 . 1 157 157 MET CB C 13 30.962 0.093 . 1 . . . . . 157 MET CB . 50424 1 1164 . 1 . 1 157 157 MET N N 15 115.572 0.030 . 1 . . . . . 157 MET N . 50424 1 1165 . 1 . 1 158 158 LYS H H 1 7.510 0.002 . 1 . . . . . 158 LYS H . 50424 1 1166 . 1 . 1 158 158 LYS HA H 1 3.996 0.000 . 1 . . . . . 158 LYS HA . 50424 1 1167 . 1 . 1 158 158 LYS HB2 H 1 1.766 0.000 . 1 . . . . . 158 LYS HB2 . 50424 1 1168 . 1 . 1 158 158 LYS HB3 H 1 1.766 0.000 . 1 . . . . . 158 LYS HB3 . 50424 1 1169 . 1 . 1 158 158 LYS C C 13 177.572 0.016 . 1 . . . . . 158 LYS C . 50424 1 1170 . 1 . 1 158 158 LYS CA C 13 58.246 0.050 . 1 . . . . . 158 LYS CA . 50424 1 1171 . 1 . 1 158 158 LYS CB C 13 32.439 0.036 . 1 . . . . . 158 LYS CB . 50424 1 1172 . 1 . 1 158 158 LYS N N 15 119.373 0.036 . 1 . . . . . 158 LYS N . 50424 1 1173 . 1 . 1 159 159 GLY H H 1 7.803 0.003 . 1 . . . . . 159 GLY H . 50424 1 1174 . 1 . 1 159 159 GLY HA2 H 1 3.950 0.000 . 2 . . . . . 159 GLY HA2 . 50424 1 1175 . 1 . 1 159 159 GLY HA3 H 1 3.740 0.000 . 2 . . . . . 159 GLY HA3 . 50424 1 1176 . 1 . 1 159 159 GLY C C 13 174.017 0.012 . 1 . . . . . 159 GLY C . 50424 1 1177 . 1 . 1 159 159 GLY CA C 13 45.210 0.003 . 1 . . . . . 159 GLY CA . 50424 1 1178 . 1 . 1 159 159 GLY N N 15 106.888 0.030 . 1 . . . . . 159 GLY N . 50424 1 1179 . 1 . 1 160 160 VAL H H 1 7.482 0.002 . 1 . . . . . 160 VAL H . 50424 1 1180 . 1 . 1 160 160 VAL HA H 1 3.979 0.000 . 1 . . . . . 160 VAL HA . 50424 1 1181 . 1 . 1 160 160 VAL HB H 1 1.956 0.000 . 1 . . . . . 160 VAL HB . 50424 1 1182 . 1 . 1 160 160 VAL C C 13 175.246 0.005 . 1 . . . . . 160 VAL C . 50424 1 1183 . 1 . 1 160 160 VAL CA C 13 62.233 0.033 . 1 . . . . . 160 VAL CA . 50424 1 1184 . 1 . 1 160 160 VAL CB C 13 32.452 0.000 . 1 . . . . . 160 VAL CB . 50424 1 1185 . 1 . 1 160 160 VAL N N 15 118.983 0.031 . 1 . . . . . 160 VAL N . 50424 1 1186 . 1 . 1 161 161 GLU H H 1 7.919 0.003 . 1 . . . . . 161 GLU H . 50424 1 1187 . 1 . 1 161 161 GLU C C 13 181.136 0.000 . 1 . . . . . 161 GLU C . 50424 1 1188 . 1 . 1 161 161 GLU CA C 13 58.105 0.023 . 1 . . . . . 161 GLU CA . 50424 1 1189 . 1 . 1 161 161 GLU CB C 13 30.928 0.000 . 1 . . . . . 161 GLU CB . 50424 1 1190 . 1 . 1 161 161 GLU N N 15 129.350 0.026 . 1 . . . . . 161 GLU N . 50424 1 stop_ save_