data_52489 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52489 _Entry.Title ; Backbone chemical-shift assignments of human AK1 with Ap5A in MES buffer at pH5.5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-06-03 _Entry.Accession_date 2024-06-03 _Entry.Last_release_date 2024-06-19 _Entry.Original_release_date 2024-06-19 _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 '0.8mM Human AK1 13C, 15N labeled protein with 2.4mM Ap5A in NMR buffer (30mM MES, 50mM NaCl pH 5.5)' _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 Magnus Wolf-Watz . . . . 52489 2 'Ameeq Ul' Mushtaq . . . . 52489 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52489 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 605 52489 '15N chemical shifts' 164 52489 '1H chemical shifts' 642 52489 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 . . 2025-11-20 . original BMRB . 52489 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52487 'Backbone chemical-shift assignments of human AK1 in MES buffer at pH5.5' 52489 BMRB 52490 'Backbone chemical-shift assignments of human AK1 with ADP in MES buffer at pH5.5' 52489 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52489 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 41042980 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Exploring Helical Fraying Linked to Dynamics and Catalysis in Adenylate Kinase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 64 _Citation.Journal_issue 20 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4995 _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 4281 _Citation.Page_last 4295 _Citation.Year 2025 _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 Jonna Mattsson J. . . . 52489 1 2 Chanrith Phoeurk C. . . . 52489 1 3 Leon Schierholz L. . . . 52489 1 4 'Ameeq Ul' Mushtaq A. U. . . 52489 1 5 'Jhon Alexander' 'Rodriguez Buitrago' J. A. . . 52489 1 6 Per Rogne P. . . . 52489 1 7 'A Elisabeth' Sauer-Eriksson A. E. . . 52489 1 8 Magnus Wolf-Watz M. . . . 52489 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52489 _Assembly.ID 1 _Assembly.Name 'Humam AK1 with Ap5A' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Human AK1' 1 $entity_1 . . yes native no no . . . 52489 1 2 Ap5A 2 $entity_AP5 . . no native no no . . . 52489 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52489 _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 ; MEEKLKKTKIIFVVGGPGSG KGTQCEKIVQKYGYTHLSTG DLLRSEVSSGSARGKKLSEI MEKGQLVPLETVLDMLRDAM VAKVNTSKGFLIDGYPREVQ QGEEFERRIGQPTLLLYVDA GPETMTQRLLKRGETSGRVD DNEETIKKRLETYYKATEPV IAFYEKRGIVRKVNAEGSVD SVFSQVCTHLDALK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1-194 _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 194 _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 . _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_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 . MET . 52489 1 2 . GLU . 52489 1 3 . GLU . 52489 1 4 . LYS . 52489 1 5 . LEU . 52489 1 6 . LYS . 52489 1 7 . LYS . 52489 1 8 . THR . 52489 1 9 . LYS . 52489 1 10 . ILE . 52489 1 11 . ILE . 52489 1 12 . PHE . 52489 1 13 . VAL . 52489 1 14 . VAL . 52489 1 15 . GLY . 52489 1 16 . GLY . 52489 1 17 . PRO . 52489 1 18 . GLY . 52489 1 19 . SER . 52489 1 20 . GLY . 52489 1 21 . LYS . 52489 1 22 . GLY . 52489 1 23 . THR . 52489 1 24 . GLN . 52489 1 25 . CYS . 52489 1 26 . GLU . 52489 1 27 . LYS . 52489 1 28 . ILE . 52489 1 29 . VAL . 52489 1 30 . GLN . 52489 1 31 . LYS . 52489 1 32 . TYR . 52489 1 33 . GLY . 52489 1 34 . TYR . 52489 1 35 . THR . 52489 1 36 . HIS . 52489 1 37 . LEU . 52489 1 38 . SER . 52489 1 39 . THR . 52489 1 40 . GLY . 52489 1 41 . ASP . 52489 1 42 . LEU . 52489 1 43 . LEU . 52489 1 44 . ARG . 52489 1 45 . SER . 52489 1 46 . GLU . 52489 1 47 . VAL . 52489 1 48 . SER . 52489 1 49 . SER . 52489 1 50 . GLY . 52489 1 51 . SER . 52489 1 52 . ALA . 52489 1 53 . ARG . 52489 1 54 . GLY . 52489 1 55 . LYS . 52489 1 56 . LYS . 52489 1 57 . LEU . 52489 1 58 . SER . 52489 1 59 . GLU . 52489 1 60 . ILE . 52489 1 61 . MET . 52489 1 62 . GLU . 52489 1 63 . LYS . 52489 1 64 . GLY . 52489 1 65 . GLN . 52489 1 66 . LEU . 52489 1 67 . VAL . 52489 1 68 . PRO . 52489 1 69 . LEU . 52489 1 70 . GLU . 52489 1 71 . THR . 52489 1 72 . VAL . 52489 1 73 . LEU . 52489 1 74 . ASP . 52489 1 75 . MET . 52489 1 76 . LEU . 52489 1 77 . ARG . 52489 1 78 . ASP . 52489 1 79 . ALA . 52489 1 80 . MET . 52489 1 81 . VAL . 52489 1 82 . ALA . 52489 1 83 . LYS . 52489 1 84 . VAL . 52489 1 85 . ASN . 52489 1 86 . THR . 52489 1 87 . SER . 52489 1 88 . LYS . 52489 1 89 . GLY . 52489 1 90 . PHE . 52489 1 91 . LEU . 52489 1 92 . ILE . 52489 1 93 . ASP . 52489 1 94 . GLY . 52489 1 95 . TYR . 52489 1 96 . PRO . 52489 1 97 . ARG . 52489 1 98 . GLU . 52489 1 99 . VAL . 52489 1 100 . GLN . 52489 1 101 . GLN . 52489 1 102 . GLY . 52489 1 103 . GLU . 52489 1 104 . GLU . 52489 1 105 . PHE . 52489 1 106 . GLU . 52489 1 107 . ARG . 52489 1 108 . ARG . 52489 1 109 . ILE . 52489 1 110 . GLY . 52489 1 111 . GLN . 52489 1 112 . PRO . 52489 1 113 . THR . 52489 1 114 . LEU . 52489 1 115 . LEU . 52489 1 116 . LEU . 52489 1 117 . TYR . 52489 1 118 . VAL . 52489 1 119 . ASP . 52489 1 120 . ALA . 52489 1 121 . GLY . 52489 1 122 . PRO . 52489 1 123 . GLU . 52489 1 124 . THR . 52489 1 125 . MET . 52489 1 126 . THR . 52489 1 127 . GLN . 52489 1 128 . ARG . 52489 1 129 . LEU . 52489 1 130 . LEU . 52489 1 131 . LYS . 52489 1 132 . ARG . 52489 1 133 . GLY . 52489 1 134 . GLU . 52489 1 135 . THR . 52489 1 136 . SER . 52489 1 137 . GLY . 52489 1 138 . ARG . 52489 1 139 . VAL . 52489 1 140 . ASP . 52489 1 141 . ASP . 52489 1 142 . ASN . 52489 1 143 . GLU . 52489 1 144 . GLU . 52489 1 145 . THR . 52489 1 146 . ILE . 52489 1 147 . LYS . 52489 1 148 . LYS . 52489 1 149 . ARG . 52489 1 150 . LEU . 52489 1 151 . GLU . 52489 1 152 . THR . 52489 1 153 . TYR . 52489 1 154 . TYR . 52489 1 155 . LYS . 52489 1 156 . ALA . 52489 1 157 . THR . 52489 1 158 . GLU . 52489 1 159 . PRO . 52489 1 160 . VAL . 52489 1 161 . ILE . 52489 1 162 . ALA . 52489 1 163 . PHE . 52489 1 164 . TYR . 52489 1 165 . GLU . 52489 1 166 . LYS . 52489 1 167 . ARG . 52489 1 168 . GLY . 52489 1 169 . ILE . 52489 1 170 . VAL . 52489 1 171 . ARG . 52489 1 172 . LYS . 52489 1 173 . VAL . 52489 1 174 . ASN . 52489 1 175 . ALA . 52489 1 176 . GLU . 52489 1 177 . GLY . 52489 1 178 . SER . 52489 1 179 . VAL . 52489 1 180 . ASP . 52489 1 181 . SER . 52489 1 182 . VAL . 52489 1 183 . PHE . 52489 1 184 . SER . 52489 1 185 . GLN . 52489 1 186 . VAL . 52489 1 187 . CYS . 52489 1 188 . THR . 52489 1 189 . HIS . 52489 1 190 . LEU . 52489 1 191 . ASP . 52489 1 192 . ALA . 52489 1 193 . LEU . 52489 1 194 . LYS . 52489 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 . MET 1 1 52489 1 . GLU 2 2 52489 1 . GLU 3 3 52489 1 . LYS 4 4 52489 1 . LEU 5 5 52489 1 . LYS 6 6 52489 1 . LYS 7 7 52489 1 . THR 8 8 52489 1 . LYS 9 9 52489 1 . ILE 10 10 52489 1 . ILE 11 11 52489 1 . PHE 12 12 52489 1 . VAL 13 13 52489 1 . VAL 14 14 52489 1 . GLY 15 15 52489 1 . GLY 16 16 52489 1 . PRO 17 17 52489 1 . GLY 18 18 52489 1 . SER 19 19 52489 1 . GLY 20 20 52489 1 . LYS 21 21 52489 1 . GLY 22 22 52489 1 . THR 23 23 52489 1 . GLN 24 24 52489 1 . CYS 25 25 52489 1 . GLU 26 26 52489 1 . LYS 27 27 52489 1 . ILE 28 28 52489 1 . VAL 29 29 52489 1 . GLN 30 30 52489 1 . LYS 31 31 52489 1 . TYR 32 32 52489 1 . GLY 33 33 52489 1 . TYR 34 34 52489 1 . THR 35 35 52489 1 . HIS 36 36 52489 1 . LEU 37 37 52489 1 . SER 38 38 52489 1 . THR 39 39 52489 1 . GLY 40 40 52489 1 . ASP 41 41 52489 1 . LEU 42 42 52489 1 . LEU 43 43 52489 1 . ARG 44 44 52489 1 . SER 45 45 52489 1 . GLU 46 46 52489 1 . VAL 47 47 52489 1 . SER 48 48 52489 1 . SER 49 49 52489 1 . GLY 50 50 52489 1 . SER 51 51 52489 1 . ALA 52 52 52489 1 . ARG 53 53 52489 1 . GLY 54 54 52489 1 . LYS 55 55 52489 1 . LYS 56 56 52489 1 . LEU 57 57 52489 1 . SER 58 58 52489 1 . GLU 59 59 52489 1 . ILE 60 60 52489 1 . MET 61 61 52489 1 . GLU 62 62 52489 1 . LYS 63 63 52489 1 . GLY 64 64 52489 1 . GLN 65 65 52489 1 . LEU 66 66 52489 1 . VAL 67 67 52489 1 . PRO 68 68 52489 1 . LEU 69 69 52489 1 . GLU 70 70 52489 1 . THR 71 71 52489 1 . VAL 72 72 52489 1 . LEU 73 73 52489 1 . ASP 74 74 52489 1 . MET 75 75 52489 1 . LEU 76 76 52489 1 . ARG 77 77 52489 1 . ASP 78 78 52489 1 . ALA 79 79 52489 1 . MET 80 80 52489 1 . VAL 81 81 52489 1 . ALA 82 82 52489 1 . LYS 83 83 52489 1 . VAL 84 84 52489 1 . ASN 85 85 52489 1 . THR 86 86 52489 1 . SER 87 87 52489 1 . LYS 88 88 52489 1 . GLY 89 89 52489 1 . PHE 90 90 52489 1 . LEU 91 91 52489 1 . ILE 92 92 52489 1 . ASP 93 93 52489 1 . GLY 94 94 52489 1 . TYR 95 95 52489 1 . PRO 96 96 52489 1 . ARG 97 97 52489 1 . GLU 98 98 52489 1 . VAL 99 99 52489 1 . GLN 100 100 52489 1 . GLN 101 101 52489 1 . GLY 102 102 52489 1 . GLU 103 103 52489 1 . GLU 104 104 52489 1 . PHE 105 105 52489 1 . GLU 106 106 52489 1 . ARG 107 107 52489 1 . ARG 108 108 52489 1 . ILE 109 109 52489 1 . GLY 110 110 52489 1 . GLN 111 111 52489 1 . PRO 112 112 52489 1 . THR 113 113 52489 1 . LEU 114 114 52489 1 . LEU 115 115 52489 1 . LEU 116 116 52489 1 . TYR 117 117 52489 1 . VAL 118 118 52489 1 . ASP 119 119 52489 1 . ALA 120 120 52489 1 . GLY 121 121 52489 1 . PRO 122 122 52489 1 . GLU 123 123 52489 1 . THR 124 124 52489 1 . MET 125 125 52489 1 . THR 126 126 52489 1 . GLN 127 127 52489 1 . ARG 128 128 52489 1 . LEU 129 129 52489 1 . LEU 130 130 52489 1 . LYS 131 131 52489 1 . ARG 132 132 52489 1 . GLY 133 133 52489 1 . GLU 134 134 52489 1 . THR 135 135 52489 1 . SER 136 136 52489 1 . GLY 137 137 52489 1 . ARG 138 138 52489 1 . VAL 139 139 52489 1 . ASP 140 140 52489 1 . ASP 141 141 52489 1 . ASN 142 142 52489 1 . GLU 143 143 52489 1 . GLU 144 144 52489 1 . THR 145 145 52489 1 . ILE 146 146 52489 1 . LYS 147 147 52489 1 . LYS 148 148 52489 1 . ARG 149 149 52489 1 . LEU 150 150 52489 1 . GLU 151 151 52489 1 . THR 152 152 52489 1 . TYR 153 153 52489 1 . TYR 154 154 52489 1 . LYS 155 155 52489 1 . ALA 156 156 52489 1 . THR 157 157 52489 1 . GLU 158 158 52489 1 . PRO 159 159 52489 1 . VAL 160 160 52489 1 . ILE 161 161 52489 1 . ALA 162 162 52489 1 . PHE 163 163 52489 1 . TYR 164 164 52489 1 . GLU 165 165 52489 1 . LYS 166 166 52489 1 . ARG 167 167 52489 1 . GLY 168 168 52489 1 . ILE 169 169 52489 1 . VAL 170 170 52489 1 . ARG 171 171 52489 1 . LYS 172 172 52489 1 . VAL 173 173 52489 1 . ASN 174 174 52489 1 . ALA 175 175 52489 1 . GLU 176 176 52489 1 . GLY 177 177 52489 1 . SER 178 178 52489 1 . VAL 179 179 52489 1 . ASP 180 180 52489 1 . SER 181 181 52489 1 . VAL 182 182 52489 1 . PHE 183 183 52489 1 . SER 184 184 52489 1 . GLN 185 185 52489 1 . VAL 186 186 52489 1 . CYS 187 187 52489 1 . THR 188 188 52489 1 . HIS 189 189 52489 1 . LEU 190 190 52489 1 . ASP 191 191 52489 1 . ALA 192 192 52489 1 . LEU 193 193 52489 1 . LYS 194 194 52489 1 stop_ save_ save_entity_AP5 _Entity.Sf_category entity _Entity.Sf_framecode entity_AP5 _Entity.Entry_ID 52489 _Entity.ID 2 _Entity.BMRB_code AP5 _Entity.Name entity_AP5 _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 AP5 _Entity.Nonpolymer_comp_label $chem_comp_AP5 _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 916.367 _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 BIS(ADENOSINE)-5'-PENTAPHOSPHATE BMRB 52489 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID BIS(ADENOSINE)-5'-PENTAPHOSPHATE BMRB 52489 2 AP5 'Three letter code' 52489 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 AP5 $chem_comp_AP5 52489 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 52489 _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 . . . . . . . . . . . . . 52489 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 52489 _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 . . pET24d . . . 52489 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_AP5 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_AP5 _Chem_comp.Entry_ID 52489 _Chem_comp.ID AP5 _Chem_comp.Provenance PDB _Chem_comp.Name BIS(ADENOSINE)-5'-PENTAPHOSPHATE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code AP5 _Chem_comp.PDB_code AP5 _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code AP5 _Chem_comp.Number_atoms_all 86 _Chem_comp.Number_atoms_nh 57 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C20H29N10O22P5/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(32)14(34)20(48-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 ; _Chem_comp.Mon_nstd_flag no _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 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C20 H29 N10 O22 P5' _Chem_comp.Formula_weight 916.367 _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 1AKE _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 ; InChI=1S/C20H29N10O22P5/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(32)14(34)20(48-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 ; InChI InChI 1.03 52489 AP5 ; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P@](O)(=O)O[P@](O)(=O)O[P@](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56)[C@@H](O)[C@H]3O ; SMILES_CANONICAL CACTVS 3.341 52489 AP5 ; Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O ; SMILES CACTVS 3.341 52489 AP5 OIMACDRJUANHTJ-XPWFQUROSA-N InChIKey InChI 1.03 52489 AP5 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 52489 AP5 ; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N ; SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 52489 AP5 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 ; [[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate ; 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 52489 AP5 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 PA PA PA PA . P . . S 0 . . . 1 N N . . . . 22.201 . 6.089 . 19.452 . -0.998 0.944 5.000 1 . 52489 AP5 O1A O1A O1A O1A . O . . N 0 . . . 1 N N . . . . 22.416 . 6.745 . 18.144 . 0.236 1.740 5.175 2 . 52489 AP5 O2A O2A O2A O2A . O . . N 0 . . . 1 N N . . . . 21.476 . 6.864 . 20.478 . -2.217 1.922 4.613 3 . 52489 AP5 O3A O3A O3A O3A . O . . N 0 . . . 1 N N . . . . 21.770 . 4.549 . 19.290 . -0.780 -0.132 3.823 4 . 52489 AP5 PB PB PB PB . P . . S 0 . . . 1 N N . . . . 20.344 . 3.896 . 18.917 . -0.443 0.700 2.487 5 . 52489 AP5 O1B O1B O1B O1B . O . . N 0 . . . 1 N N . . . . 20.857 . 2.643 . 18.377 . 0.783 1.500 2.701 6 . 52489 AP5 O2B O2B O2B O2B . O . . N 0 . . . 1 N N . . . . 19.561 . 4.700 . 17.951 . -1.671 1.682 2.143 7 . 52489 AP5 O3B O3B O3B O3B . O . . N 0 . . . 1 N N . . . . 19.580 . 3.556 . 20.304 . -0.212 -0.319 1.262 8 . 52489 AP5 PG PG PG PG . P . . N 0 . . . 1 N N . . . . 17.985 . 3.557 . 20.606 . 0.118 0.577 -0.033 9 . 52489 AP5 O1G O1G O1G O1G . O . . N 0 . . . 1 N N . . . . 17.476 . 4.926 . 20.866 . -1.018 1.482 -0.310 10 . 52489 AP5 O2G O2G O2G O2G . O . . N 0 . . . 1 N N . . . . 17.289 . 2.760 . 19.558 . 1.443 1.449 0.242 11 . 52489 AP5 O3G O3G O3G O3G . O . . N 0 . . . 1 N N . . . . 18.082 . 2.680 . 21.967 . 0.362 -0.383 -1.301 12 . 52489 AP5 PD PD PD PD . P . . S 0 . . . 1 N N . . . . 16.945 . 2.326 . 23.101 . 0.686 0.574 -2.554 13 . 52489 AP5 O1D O1D O1D O1D . O . . N 0 . . . 1 N N . . . . 16.975 . 0.838 . 23.248 . -0.460 1.479 -2.793 14 . 52489 AP5 O2D O2D O2D O2D . O . . N 0 . . . 1 N N . . . . 17.317 . 3.050 . 24.336 . 2.001 1.446 -2.237 15 . 52489 AP5 O3D O3D O3D O3D . O . . N 0 . . . 1 N N . . . . 15.397 . 2.495 . 22.602 . 0.942 -0.325 -3.865 16 . 52489 AP5 PE PE PE PE . P . . S 0 . . . 1 N N . . . . 14.541 . 3.700 . 21.938 . 1.258 0.691 -5.073 17 . 52489 AP5 O1E O1E O1E O1E . O . . N 0 . . . 1 N N . . . . 14.837 . 5.089 . 22.338 . 0.103 1.594 -5.273 18 . 52489 AP5 O2E O2E O2E O2E . O . . N 0 . . . 1 N N . . . . 14.021 . 3.514 . 20.557 . 2.564 1.562 -4.713 19 . 52489 AP5 O5F O5F O5F AO5* . O . . N 0 . . . 1 N N . . . . 23.694 . 5.984 . 20.010 . -1.340 0.176 6.373 20 . 52489 AP5 C5F C5F C5F AC5* . C . . N 0 . . . 1 N N . . . . 23.863 . 5.533 . 21.343 . -1.522 1.180 7.373 21 . 52489 AP5 C4F C4F C4F AC4* . C . . R 0 . . . 1 N N . . . . 24.868 . 6.417 . 22.062 . -1.852 0.513 8.710 22 . 52489 AP5 O4F O4F O4F AO4* . O . . N 0 . . . 1 N N . . . . 26.197 . 6.203 . 21.583 . -0.764 -0.337 9.130 23 . 52489 AP5 C3F C3F C3F AC3* . C . . S 0 . . . 1 N N . . . . 24.677 . 7.945 . 21.924 . -1.977 1.574 9.827 24 . 52489 AP5 O3F O3F O3F AO3* . O . . N 0 . . . 1 N N . . . . 25.346 . 8.532 . 23.016 . -3.349 1.898 10.058 25 . 52489 AP5 C2F C2F C2F AC2* . C . . R 0 . . . 1 N N . . . . 25.443 . 8.295 . 20.628 . -1.364 0.886 11.069 26 . 52489 AP5 O2F O2F O2F AO2* . O . . N 0 . . . 1 N N . . . . 26.145 . 9.548 . 20.716 . -2.339 0.767 12.107 27 . 52489 AP5 C1F C1F C1F AC1* . C . . R 0 . . . 1 N N . . . . 26.421 . 7.150 . 20.562 . -0.939 -0.506 10.554 28 . 52489 AP5 N9A N9A N9A AN9 . N . . N 0 . . . 1 Y N . . . . 27.112 . 6.824 . 19.345 . 0.319 -0.919 11.178 29 . 52489 AP5 C8A C8A C8A AC8 . C . . N 0 . . . 1 Y N . . . . 26.489 . 6.695 . 18.135 . 1.574 -0.648 10.719 30 . 52489 AP5 N7A N7A N7A AN7 . N . . N 0 . . . 1 Y N . . . . 27.295 . 6.275 . 17.223 . 2.461 -1.166 11.518 31 . 52489 AP5 C5A C5A C5A AC5 . C . . N 0 . . . 1 Y N . . . . 28.529 . 6.124 . 17.797 . 1.834 -1.796 12.540 32 . 52489 AP5 C6A C6A C6A AC6 . C . . N 0 . . . 1 Y N . . . . 29.735 . 5.649 . 17.285 . 2.262 -2.520 13.665 33 . 52489 AP5 N6A N6A N6A AN6 . N . . N 0 . . . 1 N N . . . . 29.771 . 5.190 . 16.024 . 3.610 -2.701 13.920 34 . 52489 AP5 N1A N1A N1A AN1 . N . . N 0 . . . 1 Y N . . . . 30.793 . 5.669 . 18.130 . 1.342 -3.022 14.483 35 . 52489 AP5 C2A C2A C2A AC2 . C . . N 0 . . . 1 Y N . . . . 30.595 . 6.010 . 19.414 . 0.054 -2.854 14.248 36 . 52489 AP5 N3A N3A N3A AN3 . N . . N 0 . . . 1 Y N . . . . 29.508 . 6.464 . 20.023 . -0.392 -2.188 13.204 37 . 52489 AP5 C4A C4A C4A AC4 . C . . N 0 . . . 1 Y N . . . . 28.440 . 6.487 . 19.168 . 0.452 -1.650 12.331 38 . 52489 AP5 O5J O5J O5J BO5* . O . . N 0 . . . 1 N N . . . . 13.178 . 3.399 . 22.744 . 1.526 -0.144 -6.422 39 . 52489 AP5 C5J C5J C5J BC5* . C . . N 0 . . . 1 N N . . . . 13.096 . 3.370 . 24.177 . 1.799 0.808 -7.451 40 . 52489 AP5 C4J C4J C4J BC4* . C . . R 0 . . . 1 N N . . . . 11.797 . 2.648 . 24.646 . 2.063 0.075 -8.768 41 . 52489 AP5 O4J O4J O4J BO4* . O . . N 0 . . . 1 N N . . . . 10.642 . 3.052 . 23.872 . 0.897 -0.670 -9.155 42 . 52489 AP5 C3J C3J C3J BC3* . C . . S 0 . . . 1 N N . . . . 11.850 . 1.118 . 24.442 . 2.352 1.095 -9.887 43 . 52489 AP5 O3J O3J O3J BO3* . O . . N 0 . . . 1 N N . . . . 12.535 . 0.450 . 25.490 . 3.654 0.888 -10.437 44 . 52489 AP5 C2J C2J C2J BC2* . C . . R 0 . . . 1 N N . . . . 10.402 . 0.698 . 24.318 . 1.260 0.805 -10.951 45 . 52489 AP5 O2J O2J O2J BO2* . O . . N 0 . . . 1 N N . . . . 9.706 . 0.889 . 25.519 . 1.805 0.871 -12.270 46 . 52489 AP5 C1J C1J C1J BC1* . C . . R 0 . . . 1 N N . . . . 10.066 . 1.830 . 23.414 . 0.840 -0.644 -10.598 47 . 52489 AP5 N9B N9B N9B BN9 . N . . N 0 . . . 1 Y N . . . . 9.747 . 1.616 . 22.023 . -0.520 -0.918 -11.065 48 . 52489 AP5 C8B C8B C8B BC8 . C . . N 0 . . . 1 Y N . . . . 10.182 . 2.374 . 20.967 . -1.675 -0.641 -10.395 49 . 52489 AP5 N7B N7B N7B BN7 . N . . N 0 . . . 1 Y N . . . . 9.821 . 1.888 . 19.815 . -2.700 -1.016 -11.102 50 . 52489 AP5 C5B C5B C5B BC5 . C . . N 0 . . . 1 Y N . . . . 9.099 . 0.730 . 20.087 . -2.271 -1.556 -12.268 51 . 52489 AP5 C6B C6B C6B BC6 . C . . N 0 . . . 1 Y N . . . . 8.487 . -0.225 . 19.272 . -2.905 -2.115 -13.391 52 . 52489 AP5 N6B N6B N6B BN6 . N . . N 0 . . . 1 N N . . . . 8.669 . -0.222 . 17.956 . -4.285 -2.198 -13.457 53 . 52489 AP5 N1B N1B N1B BN1 . N . . N 0 . . . 1 Y N . . . . 7.799 . -1.199 . 19.879 . -2.148 -2.563 -14.388 54 . 52489 AP5 C2B C2B C2B BC2 . C . . N 0 . . . 1 Y N . . . . 7.763 . -1.199 . 21.208 . -0.831 -2.488 -14.333 55 . 52489 AP5 N3B N3B N3B BN3 . N . . N 0 . . . 1 Y N . . . . 8.373 . -0.426 . 22.108 . -0.194 -1.973 -13.303 56 . 52489 AP5 C4B C4B C4B BC4 . C . . N 0 . . . 1 Y N . . . . 9.034 . 0.571 . 21.499 . -0.867 -1.495 -12.261 57 . 52489 AP5 HOA2 HOA2 HOA2 2HOA . H . . N 0 . . . 0 N N . . . . 21.337 . 6.442 . 21.318 . -3.000 1.364 4.509 58 . 52489 AP5 HOB2 HOB2 HOB2 2HOB . H . . N 0 . . . 0 N N . . . . 18.720 . 4.315 . 17.731 . -2.448 1.122 2.011 59 . 52489 AP5 HOG2 HOG2 HOG2 2HOG . H . . N 0 . . . 0 N N . . . . 16.355 . 2.760 . 19.734 . 2.159 0.823 0.418 60 . 52489 AP5 HOD2 HOD2 HOD2 2HOD . H . . N 0 . . . 0 N N . . . . 16.660 . 2.845 . 24.991 . 2.723 0.820 -2.088 61 . 52489 AP5 HOE2 HOE2 HOE2 2HOE . H . . N 0 . . . 0 N N . . . . 13.519 . 4.220 . 20.167 . 3.292 0.937 -4.591 62 . 52489 AP5 H51A H51A H51A AH51 . H . . N 0 . . . 0 N N . . . . 22.893 . 5.469 . 21.890 . -2.341 1.838 7.083 63 . 52489 AP5 H52A H52A H52A AH52 . H . . N 0 . . . 0 N N . . . . 24.144 . 4.455 . 21.388 . -0.606 1.762 7.474 64 . 52489 AP5 H4F H4F H4F AH4* . H . . N 0 . . . 1 N N . . . . 24.696 . 6.114 . 23.121 . -2.774 -0.061 8.629 65 . 52489 AP5 H3F H3F H3F AH3* . H . . N 0 . . . 1 N N . . . . 23.613 . 8.280 . 21.898 . -1.412 2.469 9.567 66 . 52489 AP5 HO3A HO3A HO3A AHO3 . H . . N 0 . . . 0 N N . . . . 25.228 . 9.470 . 22.931 . -3.364 2.562 10.762 67 . 52489 AP5 H2F H2F H2F AH2* . H . . N 0 . . . 1 N N . . . . 24.778 . 8.414 . 19.740 . -0.496 1.441 11.424 68 . 52489 AP5 HO2A HO2A HO2A AHO2 . H . . N 0 . . . 0 N N . . . . 26.615 . 9.763 . 19.919 . -2.607 1.666 12.343 69 . 52489 AP5 H1F H1F H1F AH1* . H . . N 0 . . . 1 N N . . . . 27.422 . 7.575 . 20.805 . -1.720 -1.239 10.755 70 . 52489 AP5 H8A H8A H8A AH8 . H . . N 0 . . . 1 N N . . . . 25.430 . 6.910 . 17.914 . 1.798 -0.086 9.824 71 . 52489 AP5 H61A H61A H61A AH61 . H . . N 0 . . . 0 N N . . . . 30.653 . 4.842 . 15.649 . 3.893 -3.200 14.703 72 . 52489 AP5 H62A H62A H62A AH62 . H . . N 0 . . . 0 N N . . . . 29.411 . 5.913 . 15.400 . 4.272 -2.333 13.314 73 . 52489 AP5 H2A H2A H2A AH2 . H . . N 0 . . . 1 N N . . . . 31.469 . 5.898 . 20.077 . -0.659 -3.279 14.938 74 . 52489 AP5 H51B H51B H51B BH51 . H . . N 0 . . . 0 N N . . . . 14.006 . 2.915 . 24.632 . 0.941 1.470 -7.570 75 . 52489 AP5 H52B H52B H52B BH52 . H . . N 0 . . . 0 N N . . . . 13.179 . 4.392 . 24.614 . 2.676 1.395 -7.180 76 . 52489 AP5 H4J H4J H4J BH4* . H . . N 0 . . . 1 N N . . . . 11.718 . 2.924 . 25.723 . 2.912 -0.598 -8.653 77 . 52489 AP5 H3J H3J H3J BH3* . H . . N 0 . . . 1 N N . . . . 12.435 . 0.839 . 23.534 . 2.255 2.112 -9.509 78 . 52489 AP5 HO3B HO3B HO3B BHO3 . H . . N 0 . . . 0 N N . . . . 12.567 . -0.491 . 25.364 . 3.751 1.514 -11.169 79 . 52489 AP5 H2J H2J H2J BH2* . H . . N 0 . . . 1 N N . . . . 10.191 . -0.355 . 24.021 . 0.420 1.491 -10.844 80 . 52489 AP5 HO2B HO2B HO2B BHO2 . H . . N 0 . . . 0 N N . . . . 8.796 . 0.625 . 25.441 . 2.046 1.795 -12.427 81 . 52489 AP5 H1J H1J H1J BH1* . H . . N 0 . . . 1 N N . . . . 8.964 . 1.972 . 23.508 . 1.542 -1.361 -11.023 82 . 52489 AP5 H8B H8B H8B BH8 . H . . N 0 . . . 1 N N . . . . 10.775 . 3.301 . 21.038 . -1.729 -0.178 -9.421 83 . 52489 AP5 H61B H61B H61B BH61 . H . . N 0 . . . 0 N N . . . . 8.222 . -0.919 . 17.360 . -4.710 -2.586 -14.238 84 . 52489 AP5 H62B H62B H62B BH62 . H . . N 0 . . . 0 N N . . . . 9.672 . -0.248 . 17.775 . -4.826 -1.868 -12.723 85 . 52489 AP5 H2B H2B H2B BH2 . H . . N 0 . . . 1 N N . . . . 7.112 . -1.977 . 21.640 . -0.254 -2.864 -15.165 86 . 52489 AP5 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PA O1A N N 1 . 52489 AP5 2 . SING PA O2A N N 2 . 52489 AP5 3 . SING PA O3A N N 3 . 52489 AP5 4 . SING PA O5F N N 4 . 52489 AP5 5 . SING O2A HOA2 N N 5 . 52489 AP5 6 . SING O3A PB N N 6 . 52489 AP5 7 . DOUB PB O1B N N 7 . 52489 AP5 8 . SING PB O2B N N 8 . 52489 AP5 9 . SING PB O3B N N 9 . 52489 AP5 10 . SING O2B HOB2 N N 10 . 52489 AP5 11 . SING O3B PG N N 11 . 52489 AP5 12 . DOUB PG O1G N N 12 . 52489 AP5 13 . SING PG O2G N N 13 . 52489 AP5 14 . SING PG O3G N N 14 . 52489 AP5 15 . SING O2G HOG2 N N 15 . 52489 AP5 16 . SING O3G PD N N 16 . 52489 AP5 17 . DOUB PD O1D N N 17 . 52489 AP5 18 . SING PD O2D N N 18 . 52489 AP5 19 . SING PD O3D N N 19 . 52489 AP5 20 . SING O2D HOD2 N N 20 . 52489 AP5 21 . SING O3D PE N N 21 . 52489 AP5 22 . DOUB PE O1E N N 22 . 52489 AP5 23 . SING PE O2E N N 23 . 52489 AP5 24 . SING PE O5J N N 24 . 52489 AP5 25 . SING O2E HOE2 N N 25 . 52489 AP5 26 . SING O5F C5F N N 26 . 52489 AP5 27 . SING C5F C4F N N 27 . 52489 AP5 28 . SING C5F H51A N N 28 . 52489 AP5 29 . SING C5F H52A N N 29 . 52489 AP5 30 . SING C4F O4F N N 30 . 52489 AP5 31 . SING C4F C3F N N 31 . 52489 AP5 32 . SING C4F H4F N N 32 . 52489 AP5 33 . SING O4F C1F N N 33 . 52489 AP5 34 . SING C3F O3F N N 34 . 52489 AP5 35 . SING C3F C2F N N 35 . 52489 AP5 36 . SING C3F H3F N N 36 . 52489 AP5 37 . SING O3F HO3A N N 37 . 52489 AP5 38 . SING C2F O2F N N 38 . 52489 AP5 39 . SING C2F C1F N N 39 . 52489 AP5 40 . SING C2F H2F N N 40 . 52489 AP5 41 . SING O2F HO2A N N 41 . 52489 AP5 42 . SING C1F N9A N N 42 . 52489 AP5 43 . SING C1F H1F N N 43 . 52489 AP5 44 . SING N9A C8A Y N 44 . 52489 AP5 45 . SING N9A C4A Y N 45 . 52489 AP5 46 . DOUB C8A N7A Y N 46 . 52489 AP5 47 . SING C8A H8A N N 47 . 52489 AP5 48 . SING N7A C5A Y N 48 . 52489 AP5 49 . SING C5A C6A Y N 49 . 52489 AP5 50 . DOUB C5A C4A Y N 50 . 52489 AP5 51 . SING C6A N6A N N 51 . 52489 AP5 52 . DOUB C6A N1A Y N 52 . 52489 AP5 53 . SING N6A H61A N N 53 . 52489 AP5 54 . SING N6A H62A N N 54 . 52489 AP5 55 . SING N1A C2A Y N 55 . 52489 AP5 56 . DOUB C2A N3A Y N 56 . 52489 AP5 57 . SING C2A H2A N N 57 . 52489 AP5 58 . SING N3A C4A Y N 58 . 52489 AP5 59 . SING O5J C5J N N 59 . 52489 AP5 60 . SING C5J C4J N N 60 . 52489 AP5 61 . SING C5J H51B N N 61 . 52489 AP5 62 . SING C5J H52B N N 62 . 52489 AP5 63 . SING C4J O4J N N 63 . 52489 AP5 64 . SING C4J C3J N N 64 . 52489 AP5 65 . SING C4J H4J N N 65 . 52489 AP5 66 . SING O4J C1J N N 66 . 52489 AP5 67 . SING C3J O3J N N 67 . 52489 AP5 68 . SING C3J C2J N N 68 . 52489 AP5 69 . SING C3J H3J N N 69 . 52489 AP5 70 . SING O3J HO3B N N 70 . 52489 AP5 71 . SING C2J O2J N N 71 . 52489 AP5 72 . SING C2J C1J N N 72 . 52489 AP5 73 . SING C2J H2J N N 73 . 52489 AP5 74 . SING O2J HO2B N N 74 . 52489 AP5 75 . SING C1J N9B N N 75 . 52489 AP5 76 . SING C1J H1J N N 76 . 52489 AP5 77 . SING N9B C8B Y N 77 . 52489 AP5 78 . SING N9B C4B Y N 78 . 52489 AP5 79 . DOUB C8B N7B Y N 79 . 52489 AP5 80 . SING C8B H8B N N 80 . 52489 AP5 81 . SING N7B C5B Y N 81 . 52489 AP5 82 . SING C5B C6B Y N 82 . 52489 AP5 83 . DOUB C5B C4B Y N 83 . 52489 AP5 84 . SING C6B N6B N N 84 . 52489 AP5 85 . DOUB C6B N1B Y N 85 . 52489 AP5 86 . SING N6B H61B N N 86 . 52489 AP5 87 . SING N6B H62B N N 87 . 52489 AP5 88 . SING N1B C2B Y N 88 . 52489 AP5 89 . DOUB C2B N3B Y N 89 . 52489 AP5 90 . SING C2B H2B N N 90 . 52489 AP5 91 . SING N3B C4B Y N 91 . 52489 AP5 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52489 _Sample.ID 1 _Sample.Name 'Human AK1 with Ap5A' _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.8mM Human AK1 13C, 15N labeled protein with 2.4mM Ap5A in NMR buffer (30mM MES, 50mM NaCl pH 5.5)' _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 'Human AK1' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 52489 1 2 Ap5A 'natural abundance' . . 2 $entity_AP5 . . 2.4 . . mM . . . . 52489 1 3 MES 'natural abundance' . . . . . . 30 . . mM . . . . 52489 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 52489 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 52489 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Sample 1' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 52489 1 pH 5.5 . pH 52489 1 pressure 1 . atm 52489 1 temperature 298 . K 52489 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52489 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details '3.5 pl 7' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52489 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52489 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52489 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52489 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52489 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52489 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III 600MHz' _NMR_spectrometer.Details 'Bruker BioSpin GmbH 600MHz' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 52489 _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' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52489 1 2 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52489 1 3 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52489 1 4 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52489 1 5 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52489 1 6 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52489 1 7 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52489 1 8 '3D HBHA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52489 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 52489 _Computing_platform.ID 1 _Computing_platform.Name 'Lab Linux station' _Computing_platform.Reference_ID . _Computing_platform.Site 'Department of Chemistry, Umea University' _Computing_platform.Site_reference_ID . _Computing_platform.Details . 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 52489 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Human AK1 with Ap5A backbone chemical shifts' _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 water protons . . . . ppm 4.7 internal indirect 0.25144 . . . . . 52489 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 52489 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.1013 . . . . . 52489 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 52489 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Human AK1 with Ap5A backbone chemical shifts' _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' . . . 52489 1 2 '3D CBCA(CO)NH' . . . 52489 1 3 '3D HNCACB' . . . 52489 1 4 '3D HNCA' . . . 52489 1 5 '3D HN(CO)CA' . . . 52489 1 6 '3D HNCO' . . . 52489 1 7 '3D HN(CA)CO' . . . 52489 1 8 '3D HBHA(CO)NH' . . . 52489 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 . . 52489 1 2 $software_2 . . 52489 1 3 $software_3 . . 52489 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 MET C C 13 179.933 0.221 . 1 . . . . . 1 MET C . 52489 1 2 . 1 . 1 1 1 MET CA C 13 56.136 0.000 . 1 . . . . . 1 MET CA . 52489 1 3 . 1 . 1 1 1 MET CB C 13 40.784 0.000 . 1 . . . . . 1 MET CB . 52489 1 4 . 1 . 1 2 2 GLU H H 1 8.234 0.002 . 1 . . . . . 2 GLU H . 52489 1 5 . 1 . 1 2 2 GLU HA H 1 4.436 0.012 . 1 . . . . . 2 GLU HA . 52489 1 6 . 1 . 1 2 2 GLU HB2 H 1 2.002 0.017 . 1 . . . . . 2 GLU HB2 . 52489 1 7 . 1 . 1 2 2 GLU HB3 H 1 2.002 0.017 . 1 . . . . . 2 GLU HB3 . 52489 1 8 . 1 . 1 2 2 GLU HG2 H 1 2.323 0.000 . 1 . . . . . 2 GLU HG2 . 52489 1 9 . 1 . 1 2 2 GLU HG3 H 1 2.323 0.000 . 1 . . . . . 2 GLU HG3 . 52489 1 10 . 1 . 1 2 2 GLU C C 13 176.377 0.077 . 1 . . . . . 2 GLU C . 52489 1 11 . 1 . 1 2 2 GLU CA C 13 55.726 0.149 . 1 . . . . . 2 GLU CA . 52489 1 12 . 1 . 1 2 2 GLU CB C 13 29.754 0.000 . 1 . . . . . 2 GLU CB . 52489 1 13 . 1 . 1 2 2 GLU CG C 13 35.742 0.000 . 1 . . . . . 2 GLU CG . 52489 1 14 . 1 . 1 2 2 GLU N N 15 121.588 0.001 . 1 . . . . . 2 GLU N . 52489 1 15 . 1 . 1 3 3 GLU H H 1 8.955 0.002 . 1 . . . . . 3 GLU H . 52489 1 16 . 1 . 1 3 3 GLU HA H 1 4.107 0.018 . 1 . . . . . 3 GLU HA . 52489 1 17 . 1 . 1 3 3 GLU HB2 H 1 2.065 0.004 . 1 . . . . . 3 GLU HB2 . 52489 1 18 . 1 . 1 3 3 GLU HB3 H 1 2.065 0.004 . 1 . . . . . 3 GLU HB3 . 52489 1 19 . 1 . 1 3 3 GLU HG2 H 1 2.324 0.000 . 1 . . . . . 3 GLU HG2 . 52489 1 20 . 1 . 1 3 3 GLU HG3 H 1 2.324 0.000 . 1 . . . . . 3 GLU HG3 . 52489 1 21 . 1 . 1 3 3 GLU C C 13 177.960 0.002 . 1 . . . . . 3 GLU C . 52489 1 22 . 1 . 1 3 3 GLU CA C 13 58.611 0.158 . 1 . . . . . 3 GLU CA . 52489 1 23 . 1 . 1 3 3 GLU CB C 13 29.752 0.005 . 1 . . . . . 3 GLU CB . 52489 1 24 . 1 . 1 3 3 GLU CG C 13 35.697 0.000 . 1 . . . . . 3 GLU CG . 52489 1 25 . 1 . 1 3 3 GLU N N 15 127.316 0.120 . 1 . . . . . 3 GLU N . 52489 1 26 . 1 . 1 4 4 LYS H H 1 8.786 0.002 . 1 . . . . . 4 LYS H . 52489 1 27 . 1 . 1 4 4 LYS C C 13 177.742 0.003 . 1 . . . . . 4 LYS C . 52489 1 28 . 1 . 1 4 4 LYS CA C 13 57.843 0.139 . 1 . . . . . 4 LYS CA . 52489 1 29 . 1 . 1 4 4 LYS CB C 13 32.756 0.006 . 1 . . . . . 4 LYS CB . 52489 1 30 . 1 . 1 4 4 LYS N N 15 118.926 0.037 . 1 . . . . . 4 LYS N . 52489 1 31 . 1 . 1 5 5 LEU H H 1 7.873 0.007 . 1 . . . . . 5 LEU H . 52489 1 32 . 1 . 1 5 5 LEU CA C 13 55.313 0.213 . 1 . . . . . 5 LEU CA . 52489 1 33 . 1 . 1 5 5 LEU CB C 13 41.774 0.000 . 1 . . . . . 5 LEU CB . 52489 1 34 . 1 . 1 5 5 LEU N N 15 118.668 0.224 . 1 . . . . . 5 LEU N . 52489 1 35 . 1 . 1 7 7 LYS HA H 1 4.397 0.000 . 1 . . . . . 7 LYS HA . 52489 1 36 . 1 . 1 7 7 LYS HB2 H 1 2.017 0.000 . 2 . . . . . 7 LYS HB2 . 52489 1 37 . 1 . 1 7 7 LYS HB3 H 1 1.752 0.000 . 2 . . . . . 7 LYS HB3 . 52489 1 38 . 1 . 1 7 7 LYS HG2 H 1 1.443 0.000 . 1 . . . . . 7 LYS HG2 . 52489 1 39 . 1 . 1 7 7 LYS C C 13 176.214 0.000 . 1 . . . . . 7 LYS C . 52489 1 40 . 1 . 1 7 7 LYS CA C 13 55.743 0.000 . 1 . . . . . 7 LYS CA . 52489 1 41 . 1 . 1 7 7 LYS CB C 13 32.745 0.000 . 1 . . . . . 7 LYS CB . 52489 1 42 . 1 . 1 7 7 LYS CG C 13 24.754 0.000 . 1 . . . . . 7 LYS CG . 52489 1 43 . 1 . 1 7 7 LYS CD C 13 29.165 0.000 . 1 . . . . . 7 LYS CD . 52489 1 44 . 1 . 1 8 8 THR H H 1 7.621 0.002 . 1 . . . . . 8 THR H . 52489 1 45 . 1 . 1 8 8 THR HA H 1 4.373 0.023 . 1 . . . . . 8 THR HA . 52489 1 46 . 1 . 1 8 8 THR HB H 1 4.000 0.016 . 1 . . . . . 8 THR HB . 52489 1 47 . 1 . 1 8 8 THR HG21 H 1 1.270 0.000 . 1 . . . . . 8 THR HG21 . 52489 1 48 . 1 . 1 8 8 THR HG22 H 1 1.270 0.000 . 1 . . . . . 8 THR HG22 . 52489 1 49 . 1 . 1 8 8 THR HG23 H 1 1.270 0.000 . 1 . . . . . 8 THR HG23 . 52489 1 50 . 1 . 1 8 8 THR C C 13 173.591 0.002 . 1 . . . . . 8 THR C . 52489 1 51 . 1 . 1 8 8 THR CA C 13 61.797 0.065 . 1 . . . . . 8 THR CA . 52489 1 52 . 1 . 1 8 8 THR CB C 13 70.689 0.058 . 1 . . . . . 8 THR CB . 52489 1 53 . 1 . 1 8 8 THR CG2 C 13 21.403 0.000 . 1 . . . . . 8 THR CG2 . 52489 1 54 . 1 . 1 8 8 THR N N 15 117.187 0.112 . 1 . . . . . 8 THR N . 52489 1 55 . 1 . 1 9 9 LYS H H 1 8.583 0.002 . 1 . . . . . 9 LYS H . 52489 1 56 . 1 . 1 9 9 LYS HA H 1 4.236 0.000 . 1 . . . . . 9 LYS HA . 52489 1 57 . 1 . 1 9 9 LYS HB2 H 1 1.535 0.000 . 1 . . . . . 9 LYS HB2 . 52489 1 58 . 1 . 1 9 9 LYS HB3 H 1 1.535 0.000 . 1 . . . . . 9 LYS HB3 . 52489 1 59 . 1 . 1 9 9 LYS C C 13 175.341 0.002 . 1 . . . . . 9 LYS C . 52489 1 60 . 1 . 1 9 9 LYS CA C 13 57.499 0.233 . 1 . . . . . 9 LYS CA . 52489 1 61 . 1 . 1 9 9 LYS CB C 13 33.738 0.022 . 1 . . . . . 9 LYS CB . 52489 1 62 . 1 . 1 9 9 LYS N N 15 125.207 0.053 . 1 . . . . . 9 LYS N . 52489 1 63 . 1 . 1 10 10 ILE H H 1 8.478 0.002 . 1 . . . . . 10 ILE H . 52489 1 64 . 1 . 1 10 10 ILE HA H 1 4.481 0.012 . 1 . . . . . 10 ILE HA . 52489 1 65 . 1 . 1 10 10 ILE HB H 1 1.695 0.000 . 1 . . . . . 10 ILE HB . 52489 1 66 . 1 . 1 10 10 ILE C C 13 174.023 0.001 . 1 . . . . . 10 ILE C . 52489 1 67 . 1 . 1 10 10 ILE CA C 13 61.523 0.209 . 1 . . . . . 10 ILE CA . 52489 1 68 . 1 . 1 10 10 ILE CB C 13 41.754 0.000 . 1 . . . . . 10 ILE CB . 52489 1 69 . 1 . 1 10 10 ILE N N 15 123.651 0.018 . 1 . . . . . 10 ILE N . 52489 1 70 . 1 . 1 11 11 ILE H H 1 9.122 0.005 . 1 . . . . . 11 ILE H . 52489 1 71 . 1 . 1 11 11 ILE HA H 1 4.335 0.000 . 1 . . . . . 11 ILE HA . 52489 1 72 . 1 . 1 11 11 ILE C C 13 176.209 0.005 . 1 . . . . . 11 ILE C . 52489 1 73 . 1 . 1 11 11 ILE CA C 13 59.466 0.186 . 1 . . . . . 11 ILE CA . 52489 1 74 . 1 . 1 11 11 ILE CB C 13 40.689 0.000 . 1 . . . . . 11 ILE CB . 52489 1 75 . 1 . 1 11 11 ILE N N 15 129.506 0.079 . 1 . . . . . 11 ILE N . 52489 1 76 . 1 . 1 12 12 PHE H H 1 8.341 0.008 . 1 . . . . . 12 PHE H . 52489 1 77 . 1 . 1 12 12 PHE HB2 H 1 3.378 0.000 . 2 . . . . . 12 PHE HB2 . 52489 1 78 . 1 . 1 12 12 PHE HB3 H 1 2.774 0.000 . 2 . . . . . 12 PHE HB3 . 52489 1 79 . 1 . 1 12 12 PHE C C 13 175.338 0.001 . 1 . . . . . 12 PHE C . 52489 1 80 . 1 . 1 12 12 PHE CA C 13 53.673 0.068 . 1 . . . . . 12 PHE CA . 52489 1 81 . 1 . 1 12 12 PHE CB C 13 40.749 0.006 . 1 . . . . . 12 PHE CB . 52489 1 82 . 1 . 1 12 12 PHE N N 15 125.976 0.111 . 1 . . . . . 12 PHE N . 52489 1 83 . 1 . 1 13 13 VAL H H 1 9.185 0.004 . 1 . . . . . 13 VAL H . 52489 1 84 . 1 . 1 13 13 VAL HA H 1 4.950 0.000 . 1 . . . . . 13 VAL HA . 52489 1 85 . 1 . 1 13 13 VAL HG11 H 1 0.754 0.000 . 1 . . . . . 13 VAL HG11 . 52489 1 86 . 1 . 1 13 13 VAL HG12 H 1 0.754 0.000 . 1 . . . . . 13 VAL HG12 . 52489 1 87 . 1 . 1 13 13 VAL HG13 H 1 0.754 0.000 . 1 . . . . . 13 VAL HG13 . 52489 1 88 . 1 . 1 13 13 VAL HG21 H 1 0.754 0.000 . 1 . . . . . 13 VAL HG21 . 52489 1 89 . 1 . 1 13 13 VAL HG22 H 1 0.754 0.000 . 1 . . . . . 13 VAL HG22 . 52489 1 90 . 1 . 1 13 13 VAL HG23 H 1 0.754 0.000 . 1 . . . . . 13 VAL HG23 . 52489 1 91 . 1 . 1 13 13 VAL C C 13 174.467 0.005 . 1 . . . . . 13 VAL C . 52489 1 92 . 1 . 1 13 13 VAL CA C 13 62.629 0.134 . 1 . . . . . 13 VAL CA . 52489 1 93 . 1 . 1 13 13 VAL CB C 13 32.757 0.022 . 1 . . . . . 13 VAL CB . 52489 1 94 . 1 . 1 13 13 VAL CG1 C 13 21.493 0.000 . 1 . . . . . 13 VAL CG1 . 52489 1 95 . 1 . 1 13 13 VAL CG2 C 13 21.493 0.000 . 1 . . . . . 13 VAL CG2 . 52489 1 96 . 1 . 1 13 13 VAL N N 15 124.190 0.158 . 1 . . . . . 13 VAL N . 52489 1 97 . 1 . 1 14 14 VAL H H 1 8.780 0.003 . 1 . . . . . 14 VAL H . 52489 1 98 . 1 . 1 14 14 VAL HA H 1 4.514 0.000 . 1 . . . . . 14 VAL HA . 52489 1 99 . 1 . 1 14 14 VAL HG11 H 1 0.823 0.000 . 1 . . . . . 14 VAL HG11 . 52489 1 100 . 1 . 1 14 14 VAL HG12 H 1 0.823 0.000 . 1 . . . . . 14 VAL HG12 . 52489 1 101 . 1 . 1 14 14 VAL HG13 H 1 0.823 0.000 . 1 . . . . . 14 VAL HG13 . 52489 1 102 . 1 . 1 14 14 VAL HG21 H 1 0.823 0.000 . 1 . . . . . 14 VAL HG21 . 52489 1 103 . 1 . 1 14 14 VAL HG22 H 1 0.823 0.000 . 1 . . . . . 14 VAL HG22 . 52489 1 104 . 1 . 1 14 14 VAL HG23 H 1 0.823 0.000 . 1 . . . . . 14 VAL HG23 . 52489 1 105 . 1 . 1 14 14 VAL C C 13 173.805 0.001 . 1 . . . . . 14 VAL C . 52489 1 106 . 1 . 1 14 14 VAL CA C 13 60.155 0.000 . 1 . . . . . 14 VAL CA . 52489 1 107 . 1 . 1 14 14 VAL CB C 13 35.753 0.001 . 1 . . . . . 14 VAL CB . 52489 1 108 . 1 . 1 14 14 VAL CG1 C 13 21.463 0.000 . 1 . . . . . 14 VAL CG1 . 52489 1 109 . 1 . 1 14 14 VAL N N 15 126.606 0.064 . 1 . . . . . 14 VAL N . 52489 1 110 . 1 . 1 15 15 GLY H H 1 7.999 0.003 . 1 . . . . . 15 GLY H . 52489 1 111 . 1 . 1 15 15 GLY HA2 H 1 4.350 0.011 . 1 . . . . . 15 GLY HA2 . 52489 1 112 . 1 . 1 15 15 GLY HA3 H 1 4.350 0.011 . 1 . . . . . 15 GLY HA3 . 52489 1 113 . 1 . 1 15 15 GLY C C 13 172.931 0.005 . 1 . . . . . 15 GLY C . 52489 1 114 . 1 . 1 15 15 GLY CA C 13 45.144 0.000 . 1 . . . . . 15 GLY CA . 52489 1 115 . 1 . 1 15 15 GLY N N 15 111.654 0.195 . 1 . . . . . 15 GLY N . 52489 1 116 . 1 . 1 16 16 GLY H H 1 9.424 0.002 . 1 . . . . . 16 GLY H . 52489 1 117 . 1 . 1 16 16 GLY C C 13 171.610 0.000 . 1 . . . . . 16 GLY C . 52489 1 118 . 1 . 1 16 16 GLY CA C 13 44.482 0.249 . 1 . . . . . 16 GLY CA . 52489 1 119 . 1 . 1 16 16 GLY N N 15 111.164 0.040 . 1 . . . . . 16 GLY N . 52489 1 120 . 1 . 1 17 17 PRO HA H 1 4.339 0.002 . 1 . . . . . 17 PRO HA . 52489 1 121 . 1 . 1 17 17 PRO HB2 H 1 1.872 0.014 . 1 . . . . . 17 PRO HB2 . 52489 1 122 . 1 . 1 17 17 PRO HB3 H 1 1.872 0.014 . 1 . . . . . 17 PRO HB3 . 52489 1 123 . 1 . 1 17 17 PRO C C 13 177.498 0.000 . 1 . . . . . 17 PRO C . 52489 1 124 . 1 . 1 17 17 PRO CA C 13 65.743 0.000 . 1 . . . . . 17 PRO CA . 52489 1 125 . 1 . 1 18 18 GLY H H 1 9.338 0.002 . 1 . . . . . 18 GLY H . 52489 1 126 . 1 . 1 18 18 GLY CA C 13 47.771 0.000 . 1 . . . . . 18 GLY CA . 52489 1 127 . 1 . 1 18 18 GLY N N 15 110.445 0.005 . 1 . . . . . 18 GLY N . 52489 1 128 . 1 . 1 19 19 SER HA H 1 4.460 0.000 . 1 . . . . . 19 SER HA . 52489 1 129 . 1 . 1 19 19 SER HB2 H 1 3.901 0.000 . 1 . . . . . 19 SER HB2 . 52489 1 130 . 1 . 1 19 19 SER C C 13 174.244 0.000 . 1 . . . . . 19 SER C . 52489 1 131 . 1 . 1 19 19 SER CA C 13 58.665 0.098 . 1 . . . . . 19 SER CA . 52489 1 132 . 1 . 1 19 19 SER CB C 13 63.575 0.238 . 1 . . . . . 19 SER CB . 52489 1 133 . 1 . 1 20 20 GLY H H 1 8.446 0.003 . 1 . . . . . 20 GLY H . 52489 1 134 . 1 . 1 20 20 GLY C C 13 173.804 0.000 . 1 . . . . . 20 GLY C . 52489 1 135 . 1 . 1 20 20 GLY CA C 13 45.603 0.144 . 1 . . . . . 20 GLY CA . 52489 1 136 . 1 . 1 20 20 GLY N N 15 110.539 0.010 . 1 . . . . . 20 GLY N . 52489 1 137 . 1 . 1 21 21 LYS H H 1 7.944 0.004 . 1 . . . . . 21 LYS H . 52489 1 138 . 1 . 1 21 21 LYS C C 13 177.961 0.001 . 1 . . . . . 21 LYS C . 52489 1 139 . 1 . 1 21 21 LYS CA C 13 60.723 0.088 . 1 . . . . . 21 LYS CA . 52489 1 140 . 1 . 1 21 21 LYS CB C 13 31.604 0.161 . 1 . . . . . 21 LYS CB . 52489 1 141 . 1 . 1 21 21 LYS CG C 13 23.646 0.000 . 1 . . . . . 21 LYS CG . 52489 1 142 . 1 . 1 21 21 LYS N N 15 120.834 0.011 . 1 . . . . . 21 LYS N . 52489 1 143 . 1 . 1 22 22 GLY H H 1 9.832 0.001 . 1 . . . . . 22 GLY H . 52489 1 144 . 1 . 1 22 22 GLY HA2 H 1 4.190 0.000 . 1 . . . . . 22 GLY HA2 . 52489 1 145 . 1 . 1 22 22 GLY HA3 H 1 4.190 0.000 . 1 . . . . . 22 GLY HA3 . 52489 1 146 . 1 . 1 22 22 GLY C C 13 176.848 0.004 . 1 . . . . . 22 GLY C . 52489 1 147 . 1 . 1 22 22 GLY CA C 13 48.586 0.190 . 1 . . . . . 22 GLY CA . 52489 1 148 . 1 . 1 22 22 GLY N N 15 114.222 0.143 . 1 . . . . . 22 GLY N . 52489 1 149 . 1 . 1 23 23 THR H H 1 8.584 0.002 . 1 . . . . . 23 THR H . 52489 1 150 . 1 . 1 23 23 THR CA C 13 67.552 0.165 . 1 . . . . . 23 THR CA . 52489 1 151 . 1 . 1 23 23 THR CB C 13 68.962 0.000 . 1 . . . . . 23 THR CB . 52489 1 152 . 1 . 1 23 23 THR N N 15 121.016 0.079 . 1 . . . . . 23 THR N . 52489 1 153 . 1 . 1 24 24 GLN HA H 1 3.901 0.000 . 1 . . . . . 24 GLN HA . 52489 1 154 . 1 . 1 24 24 GLN C C 13 179.050 0.001 . 1 . . . . . 24 GLN C . 52489 1 155 . 1 . 1 24 24 GLN CA C 13 57.784 0.179 . 1 . . . . . 24 GLN CA . 52489 1 156 . 1 . 1 24 24 GLN CB C 13 27.854 0.136 . 1 . . . . . 24 GLN CB . 52489 1 157 . 1 . 1 24 24 GLN CG C 13 33.539 0.000 . 1 . . . . . 24 GLN CG . 52489 1 158 . 1 . 1 25 25 CYS H H 1 8.681 0.002 . 1 . . . . . 25 CYS H . 52489 1 159 . 1 . 1 25 25 CYS C C 13 176.429 0.001 . 1 . . . . . 25 CYS C . 52489 1 160 . 1 . 1 25 25 CYS CA C 13 65.387 0.247 . 1 . . . . . 25 CYS CA . 52489 1 161 . 1 . 1 25 25 CYS CB C 13 25.702 0.036 . 1 . . . . . 25 CYS CB . 52489 1 162 . 1 . 1 25 25 CYS N N 15 117.067 0.006 . 1 . . . . . 25 CYS N . 52489 1 163 . 1 . 1 26 26 GLU H H 1 7.864 0.003 . 1 . . . . . 26 GLU H . 52489 1 164 . 1 . 1 26 26 GLU HA H 1 3.990 0.001 . 1 . . . . . 26 GLU HA . 52489 1 165 . 1 . 1 26 26 GLU HB2 H 1 2.069 0.006 . 1 . . . . . 26 GLU HB2 . 52489 1 166 . 1 . 1 26 26 GLU HB3 H 1 2.069 0.006 . 1 . . . . . 26 GLU HB3 . 52489 1 167 . 1 . 1 26 26 GLU HG2 H 1 2.414 0.000 . 1 . . . . . 26 GLU HG2 . 52489 1 168 . 1 . 1 26 26 GLU HG3 H 1 2.414 0.000 . 1 . . . . . 26 GLU HG3 . 52489 1 169 . 1 . 1 26 26 GLU C C 13 179.050 0.003 . 1 . . . . . 26 GLU C . 52489 1 170 . 1 . 1 26 26 GLU CA C 13 59.593 0.272 . 1 . . . . . 26 GLU CA . 52489 1 171 . 1 . 1 26 26 GLU CB C 13 28.912 0.171 . 1 . . . . . 26 GLU CB . 52489 1 172 . 1 . 1 26 26 GLU CG C 13 36.809 0.000 . 1 . . . . . 26 GLU CG . 52489 1 173 . 1 . 1 26 26 GLU N N 15 118.374 0.110 . 1 . . . . . 26 GLU N . 52489 1 174 . 1 . 1 27 27 LYS H H 1 7.057 0.004 . 1 . . . . . 27 LYS H . 52489 1 175 . 1 . 1 27 27 LYS HA H 1 3.738 0.010 . 1 . . . . . 27 LYS HA . 52489 1 176 . 1 . 1 27 27 LYS C C 13 179.713 0.006 . 1 . . . . . 27 LYS C . 52489 1 177 . 1 . 1 27 27 LYS CA C 13 58.834 0.154 . 1 . . . . . 27 LYS CA . 52489 1 178 . 1 . 1 27 27 LYS CB C 13 29.764 0.009 . 1 . . . . . 27 LYS CB . 52489 1 179 . 1 . 1 27 27 LYS CG C 13 23.675 0.000 . 1 . . . . . 27 LYS CG . 52489 1 180 . 1 . 1 27 27 LYS CD C 13 30.239 0.000 . 1 . . . . . 27 LYS CD . 52489 1 181 . 1 . 1 27 27 LYS N N 15 119.397 0.020 . 1 . . . . . 27 LYS N . 52489 1 182 . 1 . 1 28 28 ILE H H 1 8.618 0.003 . 1 . . . . . 28 ILE H . 52489 1 183 . 1 . 1 28 28 ILE C C 13 178.689 0.063 . 1 . . . . . 28 ILE C . 52489 1 184 . 1 . 1 28 28 ILE CA C 13 65.940 0.036 . 1 . . . . . 28 ILE CA . 52489 1 185 . 1 . 1 28 28 ILE CB C 13 37.763 0.001 . 1 . . . . . 28 ILE CB . 52489 1 186 . 1 . 1 28 28 ILE N N 15 121.023 0.043 . 1 . . . . . 28 ILE N . 52489 1 187 . 1 . 1 29 29 VAL H H 1 8.484 0.005 . 1 . . . . . 29 VAL H . 52489 1 188 . 1 . 1 29 29 VAL HA H 1 4.245 0.006 . 1 . . . . . 29 VAL HA . 52489 1 189 . 1 . 1 29 29 VAL HB H 1 2.235 0.000 . 1 . . . . . 29 VAL HB . 52489 1 190 . 1 . 1 29 29 VAL C C 13 181.212 0.011 . 1 . . . . . 29 VAL C . 52489 1 191 . 1 . 1 29 29 VAL CA C 13 67.689 0.000 . 1 . . . . . 29 VAL CA . 52489 1 192 . 1 . 1 29 29 VAL CB C 13 31.787 0.000 . 1 . . . . . 29 VAL CB . 52489 1 193 . 1 . 1 29 29 VAL N N 15 121.577 0.003 . 1 . . . . . 29 VAL N . 52489 1 194 . 1 . 1 30 30 GLN H H 1 8.738 0.003 . 1 . . . . . 30 GLN H . 52489 1 195 . 1 . 1 30 30 GLN HA H 1 3.973 0.010 . 1 . . . . . 30 GLN HA . 52489 1 196 . 1 . 1 30 30 GLN HB2 H 1 2.073 0.007 . 1 . . . . . 30 GLN HB2 . 52489 1 197 . 1 . 1 30 30 GLN HB3 H 1 2.073 0.007 . 1 . . . . . 30 GLN HB3 . 52489 1 198 . 1 . 1 30 30 GLN HG2 H 1 2.478 0.000 . 1 . . . . . 30 GLN HG2 . 52489 1 199 . 1 . 1 30 30 GLN HG3 H 1 2.478 0.000 . 1 . . . . . 30 GLN HG3 . 52489 1 200 . 1 . 1 30 30 GLN C C 13 176.541 0.110 . 1 . . . . . 30 GLN C . 52489 1 201 . 1 . 1 30 30 GLN CA C 13 58.737 0.012 . 1 . . . . . 30 GLN CA . 52489 1 202 . 1 . 1 30 30 GLN CB C 13 28.640 0.290 . 1 . . . . . 30 GLN CB . 52489 1 203 . 1 . 1 30 30 GLN CG C 13 33.511 0.000 . 1 . . . . . 30 GLN CG . 52489 1 204 . 1 . 1 30 30 GLN N N 15 120.515 0.092 . 1 . . . . . 30 GLN N . 52489 1 205 . 1 . 1 31 31 LYS H H 1 7.479 0.003 . 1 . . . . . 31 LYS H . 52489 1 206 . 1 . 1 31 31 LYS HA H 1 4.216 0.021 . 1 . . . . . 31 LYS HA . 52489 1 207 . 1 . 1 31 31 LYS HB2 H 1 2.240 0.000 . 1 . . . . . 31 LYS HB2 . 52489 1 208 . 1 . 1 31 31 LYS HB3 H 1 2.240 0.000 . 1 . . . . . 31 LYS HB3 . 52489 1 209 . 1 . 1 31 31 LYS C C 13 176.897 0.031 . 1 . . . . . 31 LYS C . 52489 1 210 . 1 . 1 31 31 LYS CA C 13 58.586 0.139 . 1 . . . . . 31 LYS CA . 52489 1 211 . 1 . 1 31 31 LYS CB C 13 34.757 0.015 . 1 . . . . . 31 LYS CB . 52489 1 212 . 1 . 1 31 31 LYS N N 15 116.528 0.037 . 1 . . . . . 31 LYS N . 52489 1 213 . 1 . 1 32 32 TYR H H 1 8.976 0.010 . 1 . . . . . 32 TYR H . 52489 1 214 . 1 . 1 32 32 TYR HA H 1 4.338 0.003 . 1 . . . . . 32 TYR HA . 52489 1 215 . 1 . 1 32 32 TYR HB2 H 1 2.498 0.000 . 1 . . . . . 32 TYR HB2 . 52489 1 216 . 1 . 1 32 32 TYR HB3 H 1 2.498 0.000 . 1 . . . . . 32 TYR HB3 . 52489 1 217 . 1 . 1 32 32 TYR C C 13 177.750 0.006 . 1 . . . . . 32 TYR C . 52489 1 218 . 1 . 1 32 32 TYR CA C 13 59.605 0.189 . 1 . . . . . 32 TYR CA . 52489 1 219 . 1 . 1 32 32 TYR CB C 13 40.730 0.010 . 1 . . . . . 32 TYR CB . 52489 1 220 . 1 . 1 32 32 TYR N N 15 114.007 0.055 . 1 . . . . . 32 TYR N . 52489 1 221 . 1 . 1 33 33 GLY H H 1 8.119 0.002 . 1 . . . . . 33 GLY H . 52489 1 222 . 1 . 1 33 33 GLY C C 13 175.000 0.099 . 1 . . . . . 33 GLY C . 52489 1 223 . 1 . 1 33 33 GLY CA C 13 46.649 0.098 . 1 . . . . . 33 GLY CA . 52489 1 224 . 1 . 1 33 33 GLY N N 15 105.704 0.269 . 1 . . . . . 33 GLY N . 52489 1 225 . 1 . 1 34 34 TYR H H 1 5.912 0.004 . 1 . . . . . 34 TYR H . 52489 1 226 . 1 . 1 34 34 TYR C C 13 173.401 0.000 . 1 . . . . . 34 TYR C . 52489 1 227 . 1 . 1 34 34 TYR CA C 13 57.331 0.000 . 1 . . . . . 34 TYR CA . 52489 1 228 . 1 . 1 34 34 TYR N N 15 115.454 0.164 . 1 . . . . . 34 TYR N . 52489 1 229 . 1 . 1 35 35 THR H H 1 8.887 0.002 . 1 . . . . . 35 THR H . 52489 1 230 . 1 . 1 35 35 THR HA H 1 4.342 0.000 . 1 . . . . . 35 THR HA . 52489 1 231 . 1 . 1 35 35 THR HB H 1 3.877 0.020 . 1 . . . . . 35 THR HB . 52489 1 232 . 1 . 1 35 35 THR HG21 H 1 1.272 0.000 . 1 . . . . . 35 THR HG21 . 52489 1 233 . 1 . 1 35 35 THR HG22 H 1 1.272 0.000 . 1 . . . . . 35 THR HG22 . 52489 1 234 . 1 . 1 35 35 THR HG23 H 1 1.272 0.000 . 1 . . . . . 35 THR HG23 . 52489 1 235 . 1 . 1 35 35 THR C C 13 173.588 0.002 . 1 . . . . . 35 THR C . 52489 1 236 . 1 . 1 35 35 THR CA C 13 62.774 0.040 . 1 . . . . . 35 THR CA . 52489 1 237 . 1 . 1 35 35 THR CB C 13 69.725 0.053 . 1 . . . . . 35 THR CB . 52489 1 238 . 1 . 1 35 35 THR CG2 C 13 21.468 0.000 . 1 . . . . . 35 THR CG2 . 52489 1 239 . 1 . 1 35 35 THR N N 15 116.745 0.024 . 1 . . . . . 35 THR N . 52489 1 240 . 1 . 1 36 36 HIS H H 1 9.640 0.002 . 1 . . . . . 36 HIS H . 52489 1 241 . 1 . 1 36 36 HIS C C 13 173.148 0.001 . 1 . . . . . 36 HIS C . 52489 1 242 . 1 . 1 36 36 HIS CA C 13 53.597 0.179 . 1 . . . . . 36 HIS CA . 52489 1 243 . 1 . 1 36 36 HIS CB C 13 30.712 0.053 . 1 . . . . . 36 HIS CB . 52489 1 244 . 1 . 1 36 36 HIS N N 15 129.436 0.050 . 1 . . . . . 36 HIS N . 52489 1 245 . 1 . 1 37 37 LEU H H 1 9.096 0.003 . 1 . . . . . 37 LEU H . 52489 1 246 . 1 . 1 37 37 LEU HA H 1 3.207 0.003 . 1 . . . . . 37 LEU HA . 52489 1 247 . 1 . 1 37 37 LEU CA C 13 57.743 0.000 . 1 . . . . . 37 LEU CA . 52489 1 248 . 1 . 1 37 37 LEU CB C 13 45.743 0.000 . 1 . . . . . 37 LEU CB . 52489 1 249 . 1 . 1 37 37 LEU N N 15 130.140 0.176 . 1 . . . . . 37 LEU N . 52489 1 250 . 1 . 1 38 38 SER H H 1 8.327 0.005 . 1 . . . . . 38 SER H . 52489 1 251 . 1 . 1 38 38 SER CA C 13 61.721 0.000 . 1 . . . . . 38 SER CA . 52489 1 252 . 1 . 1 38 38 SER CB C 13 62.746 0.000 . 1 . . . . . 38 SER CB . 52489 1 253 . 1 . 1 38 38 SER N N 15 113.836 0.045 . 1 . . . . . 38 SER N . 52489 1 254 . 1 . 1 39 39 THR H H 1 8.322 0.003 . 1 . . . . . 39 THR H . 52489 1 255 . 1 . 1 39 39 THR C C 13 176.212 0.000 . 1 . . . . . 39 THR C . 52489 1 256 . 1 . 1 39 39 THR CA C 13 62.095 1.879 . 1 . . . . . 39 THR CA . 52489 1 257 . 1 . 1 39 39 THR CB C 13 63.392 1.906 . 1 . . . . . 39 THR CB . 52489 1 258 . 1 . 1 39 39 THR N N 15 126.579 0.060 . 1 . . . . . 39 THR N . 52489 1 259 . 1 . 1 40 40 GLY H H 1 7.820 0.003 . 1 . . . . . 40 GLY H . 52489 1 260 . 1 . 1 40 40 GLY HA2 H 1 3.803 0.000 . 1 . . . . . 40 GLY HA2 . 52489 1 261 . 1 . 1 40 40 GLY HA3 H 1 3.803 0.000 . 1 . . . . . 40 GLY HA3 . 52489 1 262 . 1 . 1 40 40 GLY C C 13 173.145 0.004 . 1 . . . . . 40 GLY C . 52489 1 263 . 1 . 1 40 40 GLY CA C 13 45.746 0.097 . 1 . . . . . 40 GLY CA . 52489 1 264 . 1 . 1 40 40 GLY N N 15 109.140 0.147 . 1 . . . . . 40 GLY N . 52489 1 265 . 1 . 1 41 41 ASP H H 1 7.450 0.004 . 1 . . . . . 41 ASP H . 52489 1 266 . 1 . 1 41 41 ASP HA H 1 4.410 0.014 . 1 . . . . . 41 ASP HA . 52489 1 267 . 1 . 1 41 41 ASP HB2 H 1 1.635 0.040 . 1 . . . . . 41 ASP HB2 . 52489 1 268 . 1 . 1 41 41 ASP HB3 H 1 1.635 0.040 . 1 . . . . . 41 ASP HB3 . 52489 1 269 . 1 . 1 41 41 ASP C C 13 170.328 0.000 . 1 . . . . . 41 ASP C . 52489 1 270 . 1 . 1 41 41 ASP CA C 13 54.697 0.083 . 1 . . . . . 41 ASP CA . 52489 1 271 . 1 . 1 41 41 ASP CB C 13 42.772 0.000 . 1 . . . . . 41 ASP CB . 52489 1 272 . 1 . 1 41 41 ASP N N 15 122.277 0.018 . 1 . . . . . 41 ASP N . 52489 1 273 . 1 . 1 42 42 LEU H H 1 7.598 0.002 . 1 . . . . . 42 LEU H . 52489 1 274 . 1 . 1 42 42 LEU CA C 13 55.111 0.000 . 1 . . . . . 42 LEU CA . 52489 1 275 . 1 . 1 42 42 LEU CB C 13 41.743 0.000 . 1 . . . . . 42 LEU CB . 52489 1 276 . 1 . 1 42 42 LEU N N 15 119.080 0.086 . 1 . . . . . 42 LEU N . 52489 1 277 . 1 . 1 43 43 LEU HA H 1 4.144 0.017 . 1 . . . . . 43 LEU HA . 52489 1 278 . 1 . 1 43 43 LEU HB2 H 1 2.024 0.000 . 1 . . . . . 43 LEU HB2 . 52489 1 279 . 1 . 1 43 43 LEU HB3 H 1 2.024 0.000 . 1 . . . . . 43 LEU HB3 . 52489 1 280 . 1 . 1 43 43 LEU HG H 1 2.147 0.000 . 1 . . . . . 43 LEU HG . 52489 1 281 . 1 . 1 43 43 LEU C C 13 180.151 0.003 . 1 . . . . . 43 LEU C . 52489 1 282 . 1 . 1 43 43 LEU CA C 13 59.874 0.151 . 1 . . . . . 43 LEU CA . 52489 1 283 . 1 . 1 43 43 LEU CG C 13 30.270 0.000 . 1 . . . . . 43 LEU CG . 52489 1 284 . 1 . 1 44 44 ARG H H 1 8.516 0.003 . 1 . . . . . 44 ARG H . 52489 1 285 . 1 . 1 44 44 ARG C C 13 178.620 0.002 . 1 . . . . . 44 ARG C . 52489 1 286 . 1 . 1 44 44 ARG CA C 13 58.743 0.010 . 1 . . . . . 44 ARG CA . 52489 1 287 . 1 . 1 44 44 ARG N N 15 117.034 0.117 . 1 . . . . . 44 ARG N . 52489 1 288 . 1 . 1 45 45 SER HB2 H 1 4.003 0.000 . 1 . . . . . 45 SER HB2 . 52489 1 289 . 1 . 1 45 45 SER HB3 H 1 4.003 0.000 . 1 . . . . . 45 SER HB3 . 52489 1 290 . 1 . 1 45 45 SER C C 13 176.867 0.000 . 1 . . . . . 45 SER C . 52489 1 291 . 1 . 1 45 45 SER CA C 13 62.070 0.105 . 1 . . . . . 45 SER CA . 52489 1 292 . 1 . 1 45 45 SER CB C 13 62.741 0.013 . 1 . . . . . 45 SER CB . 52489 1 293 . 1 . 1 46 46 GLU H H 1 7.478 0.003 . 1 . . . . . 46 GLU H . 52489 1 294 . 1 . 1 46 46 GLU HA H 1 4.234 0.000 . 1 . . . . . 46 GLU HA . 52489 1 295 . 1 . 1 46 46 GLU HB2 H 1 1.644 0.000 . 1 . . . . . 46 GLU HB2 . 52489 1 296 . 1 . 1 46 46 GLU HB3 H 1 1.644 0.000 . 1 . . . . . 46 GLU HB3 . 52489 1 297 . 1 . 1 46 46 GLU C C 13 180.395 0.021 . 1 . . . . . 46 GLU C . 52489 1 298 . 1 . 1 46 46 GLU CA C 13 58.685 0.069 . 1 . . . . . 46 GLU CA . 52489 1 299 . 1 . 1 46 46 GLU CB C 13 28.820 0.091 . 1 . . . . . 46 GLU CB . 52489 1 300 . 1 . 1 46 46 GLU CG C 13 35.704 0.000 . 1 . . . . . 46 GLU CG . 52489 1 301 . 1 . 1 46 46 GLU N N 15 123.408 0.105 . 1 . . . . . 46 GLU N . 52489 1 302 . 1 . 1 47 47 VAL H H 1 8.312 0.002 . 1 . . . . . 47 VAL H . 52489 1 303 . 1 . 1 47 47 VAL HA H 1 3.420 0.002 . 1 . . . . . 47 VAL HA . 52489 1 304 . 1 . 1 47 47 VAL C C 13 179.716 0.003 . 1 . . . . . 47 VAL C . 52489 1 305 . 1 . 1 47 47 VAL CA C 13 67.755 0.000 . 1 . . . . . 47 VAL CA . 52489 1 306 . 1 . 1 47 47 VAL CB C 13 31.762 0.000 . 1 . . . . . 47 VAL CB . 52489 1 307 . 1 . 1 47 47 VAL CG1 C 13 21.433 0.000 . 1 . . . . . 47 VAL CG1 . 52489 1 308 . 1 . 1 47 47 VAL CG2 C 13 21.433 0.000 . 1 . . . . . 47 VAL CG2 . 52489 1 309 . 1 . 1 47 47 VAL N N 15 121.959 0.098 . 1 . . . . . 47 VAL N . 52489 1 310 . 1 . 1 48 48 SER H H 1 8.416 0.003 . 1 . . . . . 48 SER H . 52489 1 311 . 1 . 1 48 48 SER HB2 H 1 4.020 0.000 . 1 . . . . . 48 SER HB2 . 52489 1 312 . 1 . 1 48 48 SER HB3 H 1 4.020 0.000 . 1 . . . . . 48 SER HB3 . 52489 1 313 . 1 . 1 48 48 SER C C 13 174.899 0.000 . 1 . . . . . 48 SER C . 52489 1 314 . 1 . 1 48 48 SER CA C 13 60.823 0.047 . 1 . . . . . 48 SER CA . 52489 1 315 . 1 . 1 48 48 SER CB C 13 62.837 0.048 . 1 . . . . . 48 SER CB . 52489 1 316 . 1 . 1 48 48 SER N N 15 115.474 0.049 . 1 . . . . . 48 SER N . 52489 1 317 . 1 . 1 49 49 SER H H 1 7.650 0.004 . 1 . . . . . 49 SER H . 52489 1 318 . 1 . 1 49 49 SER C C 13 174.686 0.000 . 1 . . . . . 49 SER C . 52489 1 319 . 1 . 1 49 49 SER CA C 13 60.736 0.037 . 1 . . . . . 49 SER CA . 52489 1 320 . 1 . 1 49 49 SER CB C 13 64.715 0.000 . 1 . . . . . 49 SER CB . 52489 1 321 . 1 . 1 49 49 SER N N 15 116.903 0.088 . 1 . . . . . 49 SER N . 52489 1 322 . 1 . 1 50 50 GLY H H 1 8.718 0.003 . 1 . . . . . 50 GLY H . 52489 1 323 . 1 . 1 50 50 GLY C C 13 174.018 0.000 . 1 . . . . . 50 GLY C . 52489 1 324 . 1 . 1 50 50 GLY CA C 13 45.749 0.005 . 1 . . . . . 50 GLY CA . 52489 1 325 . 1 . 1 50 50 GLY N N 15 109.586 0.051 . 1 . . . . . 50 GLY N . 52489 1 326 . 1 . 1 51 51 SER H H 1 8.082 0.002 . 1 . . . . . 51 SER H . 52489 1 327 . 1 . 1 51 51 SER HA H 1 4.340 0.000 . 1 . . . . . 51 SER HA . 52489 1 328 . 1 . 1 51 51 SER HB2 H 1 4.071 0.000 . 2 . . . . . 51 SER HB2 . 52489 1 329 . 1 . 1 51 51 SER HB3 H 1 3.857 0.000 . 2 . . . . . 51 SER HB3 . 52489 1 330 . 1 . 1 51 51 SER C C 13 174.798 0.093 . 1 . . . . . 51 SER C . 52489 1 331 . 1 . 1 51 51 SER CA C 13 60.753 0.000 . 1 . . . . . 51 SER CA . 52489 1 332 . 1 . 1 51 51 SER CB C 13 63.741 0.016 . 1 . . . . . 51 SER CB . 52489 1 333 . 1 . 1 51 51 SER N N 15 113.750 0.010 . 1 . . . . . 51 SER N . 52489 1 334 . 1 . 1 52 52 ALA H H 1 8.988 0.002 . 1 . . . . . 52 ALA H . 52489 1 335 . 1 . 1 52 52 ALA C C 13 181.243 0.003 . 1 . . . . . 52 ALA C . 52489 1 336 . 1 . 1 52 52 ALA CA C 13 55.615 0.150 . 1 . . . . . 52 ALA CA . 52489 1 337 . 1 . 1 52 52 ALA CB C 13 17.863 0.179 . 1 . . . . . 52 ALA CB . 52489 1 338 . 1 . 1 52 52 ALA N N 15 125.424 0.120 . 1 . . . . . 52 ALA N . 52489 1 339 . 1 . 1 53 53 ARG H H 1 8.551 0.002 . 1 . . . . . 53 ARG H . 52489 1 340 . 1 . 1 53 53 ARG HA H 1 4.120 0.000 . 1 . . . . . 53 ARG HA . 52489 1 341 . 1 . 1 53 53 ARG HB2 H 1 1.912 0.000 . 1 . . . . . 53 ARG HB2 . 52489 1 342 . 1 . 1 53 53 ARG HB3 H 1 1.912 0.000 . 1 . . . . . 53 ARG HB3 . 52489 1 343 . 1 . 1 53 53 ARG C C 13 178.397 0.004 . 1 . . . . . 53 ARG C . 52489 1 344 . 1 . 1 53 53 ARG CA C 13 58.854 0.103 . 1 . . . . . 53 ARG CA . 52489 1 345 . 1 . 1 53 53 ARG CB C 13 29.862 0.085 . 1 . . . . . 53 ARG CB . 52489 1 346 . 1 . 1 53 53 ARG N N 15 118.680 0.210 . 1 . . . . . 53 ARG N . 52489 1 347 . 1 . 1 54 54 GLY H H 1 8.666 0.003 . 1 . . . . . 54 GLY H . 52489 1 348 . 1 . 1 54 54 GLY C C 13 174.902 0.006 . 1 . . . . . 54 GLY C . 52489 1 349 . 1 . 1 54 54 GLY CA C 13 47.600 0.174 . 1 . . . . . 54 GLY CA . 52489 1 350 . 1 . 1 54 54 GLY N N 15 109.422 0.056 . 1 . . . . . 54 GLY N . 52489 1 351 . 1 . 1 55 55 LYS H H 1 7.994 0.003 . 1 . . . . . 55 LYS H . 52489 1 352 . 1 . 1 55 55 LYS HA H 1 4.076 0.001 . 1 . . . . . 55 LYS HA . 52489 1 353 . 1 . 1 55 55 LYS HB2 H 1 1.970 0.004 . 1 . . . . . 55 LYS HB2 . 52489 1 354 . 1 . 1 55 55 LYS HB3 H 1 1.970 0.004 . 1 . . . . . 55 LYS HB3 . 52489 1 355 . 1 . 1 55 55 LYS HD2 H 1 1.519 0.000 . 1 . . . . . 55 LYS HD2 . 52489 1 356 . 1 . 1 55 55 LYS HD3 H 1 1.519 0.000 . 1 . . . . . 55 LYS HD3 . 52489 1 357 . 1 . 1 55 55 LYS C C 13 179.603 0.075 . 1 . . . . . 55 LYS C . 52489 1 358 . 1 . 1 55 55 LYS CA C 13 59.655 0.128 . 1 . . . . . 55 LYS CA . 52489 1 359 . 1 . 1 55 55 LYS CB C 13 31.788 0.024 . 1 . . . . . 55 LYS CB . 52489 1 360 . 1 . 1 55 55 LYS CG C 13 25.085 0.000 . 1 . . . . . 55 LYS CG . 52489 1 361 . 1 . 1 55 55 LYS N N 15 122.110 0.090 . 1 . . . . . 55 LYS N . 52489 1 362 . 1 . 1 56 56 LYS H H 1 7.458 0.002 . 1 . . . . . 56 LYS H . 52489 1 363 . 1 . 1 56 56 LYS HA H 1 4.142 0.015 . 1 . . . . . 56 LYS HA . 52489 1 364 . 1 . 1 56 56 LYS HB2 H 1 1.898 0.011 . 1 . . . . . 56 LYS HB2 . 52489 1 365 . 1 . 1 56 56 LYS HB3 H 1 1.898 0.011 . 1 . . . . . 56 LYS HB3 . 52489 1 366 . 1 . 1 56 56 LYS C C 13 179.277 0.000 . 1 . . . . . 56 LYS C . 52489 1 367 . 1 . 1 56 56 LYS CA C 13 58.752 0.046 . 1 . . . . . 56 LYS CA . 52489 1 368 . 1 . 1 56 56 LYS CB C 13 31.618 0.205 . 1 . . . . . 56 LYS CB . 52489 1 369 . 1 . 1 56 56 LYS CD C 13 28.022 0.000 . 1 . . . . . 56 LYS CD . 52489 1 370 . 1 . 1 56 56 LYS N N 15 119.238 0.058 . 1 . . . . . 56 LYS N . 52489 1 371 . 1 . 1 59 59 GLU H H 1 8.083 0.002 . 1 . . . . . 59 GLU H . 52489 1 372 . 1 . 1 59 59 GLU C C 13 176.976 0.110 . 1 . . . . . 59 GLU C . 52489 1 373 . 1 . 1 59 59 GLU CB C 13 31.806 0.000 . 1 . . . . . 59 GLU CB . 52489 1 374 . 1 . 1 59 59 GLU N N 15 122.993 0.007 . 1 . . . . . 59 GLU N . 52489 1 375 . 1 . 1 61 61 MET H H 1 8.316 0.003 . 1 . . . . . 61 MET H . 52489 1 376 . 1 . 1 61 61 MET HA H 1 4.527 0.016 . 1 . . . . . 61 MET HA . 52489 1 377 . 1 . 1 61 61 MET HB2 H 1 2.769 0.238 . 1 . . . . . 61 MET HB2 . 52489 1 378 . 1 . 1 61 61 MET HB3 H 1 2.769 0.238 . 1 . . . . . 61 MET HB3 . 52489 1 379 . 1 . 1 61 61 MET HG2 H 1 2.413 0.000 . 1 . . . . . 61 MET HG2 . 52489 1 380 . 1 . 1 61 61 MET HG3 H 1 2.413 0.000 . 1 . . . . . 61 MET HG3 . 52489 1 381 . 1 . 1 61 61 MET C C 13 176.215 0.005 . 1 . . . . . 61 MET C . 52489 1 382 . 1 . 1 61 61 MET CA C 13 52.742 0.009 . 1 . . . . . 61 MET CA . 52489 1 383 . 1 . 1 61 61 MET CB C 13 39.511 0.326 . 1 . . . . . 61 MET CB . 52489 1 384 . 1 . 1 61 61 MET N N 15 126.591 0.010 . 1 . . . . . 61 MET N . 52489 1 385 . 1 . 1 63 63 LYS H H 1 7.195 0.004 . 1 . . . . . 63 LYS H . 52489 1 386 . 1 . 1 63 63 LYS HA H 1 4.410 0.012 . 1 . . . . . 63 LYS HA . 52489 1 387 . 1 . 1 63 63 LYS HB2 H 1 2.066 0.008 . 1 . . . . . 63 LYS HB2 . 52489 1 388 . 1 . 1 63 63 LYS HB3 H 1 2.066 0.008 . 1 . . . . . 63 LYS HB3 . 52489 1 389 . 1 . 1 63 63 LYS HD2 H 1 1.713 0.000 . 1 . . . . . 63 LYS HD2 . 52489 1 390 . 1 . 1 63 63 LYS HD3 H 1 1.713 0.000 . 1 . . . . . 63 LYS HD3 . 52489 1 391 . 1 . 1 63 63 LYS C C 13 176.870 0.003 . 1 . . . . . 63 LYS C . 52489 1 392 . 1 . 1 63 63 LYS CA C 13 55.751 0.141 . 1 . . . . . 63 LYS CA . 52489 1 393 . 1 . 1 63 63 LYS CB C 13 33.656 0.088 . 1 . . . . . 63 LYS CB . 52489 1 394 . 1 . 1 63 63 LYS CG C 13 25.863 0.000 . 1 . . . . . 63 LYS CG . 52489 1 395 . 1 . 1 63 63 LYS N N 15 115.286 0.082 . 1 . . . . . 63 LYS N . 52489 1 396 . 1 . 1 64 64 GLY H H 1 8.007 0.002 . 1 . . . . . 64 GLY H . 52489 1 397 . 1 . 1 64 64 GLY HA2 H 1 3.750 0.000 . 1 . . . . . 64 GLY HA2 . 52489 1 398 . 1 . 1 64 64 GLY HA3 H 1 3.750 0.000 . 1 . . . . . 64 GLY HA3 . 52489 1 399 . 1 . 1 64 64 GLY C C 13 173.586 0.000 . 1 . . . . . 64 GLY C . 52489 1 400 . 1 . 1 64 64 GLY CA C 13 46.808 0.102 . 1 . . . . . 64 GLY CA . 52489 1 401 . 1 . 1 64 64 GLY N N 15 107.366 0.130 . 1 . . . . . 64 GLY N . 52489 1 402 . 1 . 1 65 65 GLN H H 1 7.173 0.004 . 1 . . . . . 65 GLN H . 52489 1 403 . 1 . 1 65 65 GLN HA H 1 4.423 0.000 . 1 . . . . . 65 GLN HA . 52489 1 404 . 1 . 1 65 65 GLN HG2 H 1 2.323 0.000 . 1 . . . . . 65 GLN HG2 . 52489 1 405 . 1 . 1 65 65 GLN HG3 H 1 2.323 0.000 . 1 . . . . . 65 GLN HG3 . 52489 1 406 . 1 . 1 65 65 GLN C C 13 174.472 0.009 . 1 . . . . . 65 GLN C . 52489 1 407 . 1 . 1 65 65 GLN CA C 13 53.758 0.011 . 1 . . . . . 65 GLN CA . 52489 1 408 . 1 . 1 65 65 GLN CB C 13 30.733 0.035 . 1 . . . . . 65 GLN CB . 52489 1 409 . 1 . 1 65 65 GLN N N 15 116.481 0.085 . 1 . . . . . 65 GLN N . 52489 1 410 . 1 . 1 66 66 LEU H H 1 8.699 0.003 . 1 . . . . . 66 LEU H . 52489 1 411 . 1 . 1 66 66 LEU HA H 1 4.505 0.000 . 1 . . . . . 66 LEU HA . 52489 1 412 . 1 . 1 66 66 LEU C C 13 177.306 0.004 . 1 . . . . . 66 LEU C . 52489 1 413 . 1 . 1 66 66 LEU CA C 13 54.683 0.097 . 1 . . . . . 66 LEU CA . 52489 1 414 . 1 . 1 66 66 LEU CB C 13 40.789 0.078 . 1 . . . . . 66 LEU CB . 52489 1 415 . 1 . 1 66 66 LEU N N 15 118.733 0.183 . 1 . . . . . 66 LEU N . 52489 1 416 . 1 . 1 67 67 VAL H H 1 8.592 0.003 . 1 . . . . . 67 VAL H . 52489 1 417 . 1 . 1 67 67 VAL C C 13 172.496 0.000 . 1 . . . . . 67 VAL C . 52489 1 418 . 1 . 1 67 67 VAL CA C 13 60.800 0.063 . 1 . . . . . 67 VAL CA . 52489 1 419 . 1 . 1 67 67 VAL CB C 13 30.848 0.000 . 1 . . . . . 67 VAL CB . 52489 1 420 . 1 . 1 67 67 VAL N N 15 122.399 0.067 . 1 . . . . . 67 VAL N . 52489 1 421 . 1 . 1 68 68 PRO HB2 H 1 1.749 0.000 . 1 . . . . . 68 PRO HB2 . 52489 1 422 . 1 . 1 68 68 PRO HB3 H 1 1.749 0.000 . 1 . . . . . 68 PRO HB3 . 52489 1 423 . 1 . 1 68 68 PRO HG2 H 1 1.624 0.000 . 1 . . . . . 68 PRO HG2 . 52489 1 424 . 1 . 1 68 68 PRO HG3 H 1 1.624 0.000 . 1 . . . . . 68 PRO HG3 . 52489 1 425 . 1 . 1 68 68 PRO C C 13 178.185 0.003 . 1 . . . . . 68 PRO C . 52489 1 426 . 1 . 1 68 68 PRO CA C 13 65.704 0.081 . 1 . . . . . 68 PRO CA . 52489 1 427 . 1 . 1 68 68 PRO CB C 13 31.722 0.029 . 1 . . . . . 68 PRO CB . 52489 1 428 . 1 . 1 69 69 LEU C C 13 177.962 0.000 . 1 . . . . . 69 LEU C . 52489 1 429 . 1 . 1 69 69 LEU CA C 13 59.741 0.000 . 1 . . . . . 69 LEU CA . 52489 1 430 . 1 . 1 69 69 LEU CB C 13 42.753 0.000 . 1 . . . . . 69 LEU CB . 52489 1 431 . 1 . 1 69 69 LEU CG C 13 27.590 0.000 . 1 . . . . . 69 LEU CG . 52489 1 432 . 1 . 1 70 70 GLU H H 1 9.164 0.003 . 1 . . . . . 70 GLU H . 52489 1 433 . 1 . 1 70 70 GLU CA C 13 59.982 0.000 . 1 . . . . . 70 GLU CA . 52489 1 434 . 1 . 1 70 70 GLU CB C 13 28.750 0.000 . 1 . . . . . 70 GLU CB . 52489 1 435 . 1 . 1 70 70 GLU N N 15 116.755 0.004 . 1 . . . . . 70 GLU N . 52489 1 436 . 1 . 1 71 71 THR HA H 1 3.919 0.000 . 1 . . . . . 71 THR HA . 52489 1 437 . 1 . 1 71 71 THR HB H 1 4.002 0.008 . 1 . . . . . 71 THR HB . 52489 1 438 . 1 . 1 71 71 THR HG21 H 1 1.093 0.000 . 1 . . . . . 71 THR HG21 . 52489 1 439 . 1 . 1 71 71 THR HG22 H 1 1.093 0.000 . 1 . . . . . 71 THR HG22 . 52489 1 440 . 1 . 1 71 71 THR HG23 H 1 1.093 0.000 . 1 . . . . . 71 THR HG23 . 52489 1 441 . 1 . 1 71 71 THR C C 13 175.777 0.000 . 1 . . . . . 71 THR C . 52489 1 442 . 1 . 1 71 71 THR CA C 13 65.737 0.000 . 1 . . . . . 71 THR CA . 52489 1 443 . 1 . 1 71 71 THR CB C 13 68.754 0.001 . 1 . . . . . 71 THR CB . 52489 1 444 . 1 . 1 71 71 THR CG2 C 13 21.473 0.000 . 1 . . . . . 71 THR CG2 . 52489 1 445 . 1 . 1 72 72 VAL H H 1 7.290 0.002 . 1 . . . . . 72 VAL H . 52489 1 446 . 1 . 1 72 72 VAL HA H 1 3.542 0.009 . 1 . . . . . 72 VAL HA . 52489 1 447 . 1 . 1 72 72 VAL HB H 1 1.744 0.005 . 1 . . . . . 72 VAL HB . 52489 1 448 . 1 . 1 72 72 VAL HG11 H 1 0.924 0.000 . 2 . . . . . 72 VAL HG11 . 52489 1 449 . 1 . 1 72 72 VAL HG12 H 1 0.924 0.000 . 2 . . . . . 72 VAL HG12 . 52489 1 450 . 1 . 1 72 72 VAL HG13 H 1 0.924 0.000 . 2 . . . . . 72 VAL HG13 . 52489 1 451 . 1 . 1 72 72 VAL HG21 H 1 0.573 0.000 . 2 . . . . . 72 VAL HG21 . 52489 1 452 . 1 . 1 72 72 VAL HG22 H 1 0.573 0.000 . 2 . . . . . 72 VAL HG22 . 52489 1 453 . 1 . 1 72 72 VAL HG23 H 1 0.573 0.000 . 2 . . . . . 72 VAL HG23 . 52489 1 454 . 1 . 1 72 72 VAL C C 13 176.432 0.003 . 1 . . . . . 72 VAL C . 52489 1 455 . 1 . 1 72 72 VAL CA C 13 65.634 0.182 . 1 . . . . . 72 VAL CA . 52489 1 456 . 1 . 1 72 72 VAL CB C 13 31.753 0.006 . 1 . . . . . 72 VAL CB . 52489 1 457 . 1 . 1 72 72 VAL CG1 C 13 21.493 0.000 . 1 . . . . . 72 VAL CG1 . 52489 1 458 . 1 . 1 72 72 VAL CG2 C 13 21.493 0.000 . 1 . . . . . 72 VAL CG2 . 52489 1 459 . 1 . 1 72 72 VAL N N 15 117.913 0.042 . 1 . . . . . 72 VAL N . 52489 1 460 . 1 . 1 73 73 LEU H H 1 9.037 0.002 . 1 . . . . . 73 LEU H . 52489 1 461 . 1 . 1 73 73 LEU C C 13 178.184 0.000 . 1 . . . . . 73 LEU C . 52489 1 462 . 1 . 1 73 73 LEU CA C 13 58.396 0.217 . 1 . . . . . 73 LEU CA . 52489 1 463 . 1 . 1 73 73 LEU CB C 13 41.064 0.000 . 1 . . . . . 73 LEU CB . 52489 1 464 . 1 . 1 73 73 LEU N N 15 121.884 0.085 . 1 . . . . . 73 LEU N . 52489 1 465 . 1 . 1 74 74 ASP HA H 1 4.284 0.000 . 1 . . . . . 74 ASP HA . 52489 1 466 . 1 . 1 74 74 ASP HB2 H 1 2.840 0.011 . 2 . . . . . 74 ASP HB2 . 52489 1 467 . 1 . 1 74 74 ASP HB3 H 1 2.671 0.004 . 2 . . . . . 74 ASP HB3 . 52489 1 468 . 1 . 1 74 74 ASP C C 13 178.178 0.004 . 1 . . . . . 74 ASP C . 52489 1 469 . 1 . 1 74 74 ASP CA C 13 57.735 0.039 . 1 . . . . . 74 ASP CA . 52489 1 470 . 1 . 1 74 74 ASP CB C 13 39.733 0.001 . 1 . . . . . 74 ASP CB . 52489 1 471 . 1 . 1 75 75 MET H H 1 7.259 0.003 . 1 . . . . . 75 MET H . 52489 1 472 . 1 . 1 75 75 MET C C 13 179.277 0.001 . 1 . . . . . 75 MET C . 52489 1 473 . 1 . 1 75 75 MET CA C 13 59.554 0.161 . 1 . . . . . 75 MET CA . 52489 1 474 . 1 . 1 75 75 MET CB C 13 33.737 0.022 . 1 . . . . . 75 MET CB . 52489 1 475 . 1 . 1 75 75 MET N N 15 116.632 0.012 . 1 . . . . . 75 MET N . 52489 1 476 . 1 . 1 76 76 LEU H H 1 8.281 0.004 . 1 . . . . . 76 LEU H . 52489 1 477 . 1 . 1 76 76 LEU HA H 1 3.807 0.006 . 1 . . . . . 76 LEU HA . 52489 1 478 . 1 . 1 76 76 LEU HB2 H 1 1.536 0.001 . 1 . . . . . 76 LEU HB2 . 52489 1 479 . 1 . 1 76 76 LEU HB3 H 1 1.536 0.001 . 1 . . . . . 76 LEU HB3 . 52489 1 480 . 1 . 1 76 76 LEU HG H 1 1.357 0.000 . 1 . . . . . 76 LEU HG . 52489 1 481 . 1 . 1 76 76 LEU C C 13 177.521 0.000 . 1 . . . . . 76 LEU C . 52489 1 482 . 1 . 1 76 76 LEU CA C 13 57.719 0.056 . 1 . . . . . 76 LEU CA . 52489 1 483 . 1 . 1 76 76 LEU CB C 13 42.625 0.196 . 1 . . . . . 76 LEU CB . 52489 1 484 . 1 . 1 76 76 LEU CD1 C 13 24.727 0.000 . 1 . . . . . 76 LEU CD1 . 52489 1 485 . 1 . 1 76 76 LEU CD2 C 13 24.727 0.000 . 1 . . . . . 76 LEU CD2 . 52489 1 486 . 1 . 1 76 76 LEU N N 15 121.169 0.158 . 1 . . . . . 76 LEU N . 52489 1 487 . 1 . 1 77 77 ARG H H 1 8.835 0.002 . 1 . . . . . 77 ARG H . 52489 1 488 . 1 . 1 77 77 ARG HA H 1 3.506 0.002 . 1 . . . . . 77 ARG HA . 52489 1 489 . 1 . 1 77 77 ARG C C 13 178.179 0.002 . 1 . . . . . 77 ARG C . 52489 1 490 . 1 . 1 77 77 ARG CA C 13 60.587 0.185 . 1 . . . . . 77 ARG CA . 52489 1 491 . 1 . 1 77 77 ARG CB C 13 28.853 0.161 . 1 . . . . . 77 ARG CB . 52489 1 492 . 1 . 1 77 77 ARG CG C 13 26.959 0.000 . 1 . . . . . 77 ARG CG . 52489 1 493 . 1 . 1 77 77 ARG N N 15 119.812 0.118 . 1 . . . . . 77 ARG N . 52489 1 494 . 1 . 1 78 78 ASP H H 1 7.974 0.002 . 1 . . . . . 78 ASP H . 52489 1 495 . 1 . 1 78 78 ASP HA H 1 4.234 0.000 . 1 . . . . . 78 ASP HA . 52489 1 496 . 1 . 1 78 78 ASP HB2 H 1 2.599 0.014 . 1 . . . . . 78 ASP HB2 . 52489 1 497 . 1 . 1 78 78 ASP HB3 H 1 2.599 0.014 . 1 . . . . . 78 ASP HB3 . 52489 1 498 . 1 . 1 78 78 ASP C C 13 178.827 0.009 . 1 . . . . . 78 ASP C . 52489 1 499 . 1 . 1 78 78 ASP CA C 13 57.612 0.143 . 1 . . . . . 78 ASP CA . 52489 1 500 . 1 . 1 78 78 ASP CB C 13 39.840 0.154 . 1 . . . . . 78 ASP CB . 52489 1 501 . 1 . 1 78 78 ASP N N 15 117.824 0.079 . 1 . . . . . 78 ASP N . 52489 1 502 . 1 . 1 79 79 ALA H H 1 7.668 0.003 . 1 . . . . . 79 ALA H . 52489 1 503 . 1 . 1 79 79 ALA HA H 1 4.180 0.000 . 1 . . . . . 79 ALA HA . 52489 1 504 . 1 . 1 79 79 ALA HB1 H 1 1.482 0.000 . 1 . . . . . 79 ALA HB1 . 52489 1 505 . 1 . 1 79 79 ALA HB2 H 1 1.482 0.000 . 1 . . . . . 79 ALA HB2 . 52489 1 506 . 1 . 1 79 79 ALA HB3 H 1 1.482 0.000 . 1 . . . . . 79 ALA HB3 . 52489 1 507 . 1 . 1 79 79 ALA C C 13 179.709 0.001 . 1 . . . . . 79 ALA C . 52489 1 508 . 1 . 1 79 79 ALA CA C 13 54.739 0.032 . 1 . . . . . 79 ALA CA . 52489 1 509 . 1 . 1 79 79 ALA CB C 13 18.955 0.004 . 1 . . . . . 79 ALA CB . 52489 1 510 . 1 . 1 79 79 ALA N N 15 122.171 0.046 . 1 . . . . . 79 ALA N . 52489 1 511 . 1 . 1 80 80 MET H H 1 8.203 0.002 . 1 . . . . . 80 MET H . 52489 1 512 . 1 . 1 80 80 MET C C 13 178.614 0.005 . 1 . . . . . 80 MET C . 52489 1 513 . 1 . 1 80 80 MET CA C 13 59.657 0.085 . 1 . . . . . 80 MET CA . 52489 1 514 . 1 . 1 80 80 MET CB C 13 34.698 0.000 . 1 . . . . . 80 MET CB . 52489 1 515 . 1 . 1 80 80 MET N N 15 116.477 0.220 . 1 . . . . . 80 MET N . 52489 1 516 . 1 . 1 81 81 VAL H H 1 8.469 0.006 . 1 . . . . . 81 VAL H . 52489 1 517 . 1 . 1 81 81 VAL HA H 1 3.563 0.011 . 1 . . . . . 81 VAL HA . 52489 1 518 . 1 . 1 81 81 VAL HB H 1 2.128 0.000 . 1 . . . . . 81 VAL HB . 52489 1 519 . 1 . 1 81 81 VAL HG11 H 1 0.959 0.000 . 1 . . . . . 81 VAL HG11 . 52489 1 520 . 1 . 1 81 81 VAL HG12 H 1 0.959 0.000 . 1 . . . . . 81 VAL HG12 . 52489 1 521 . 1 . 1 81 81 VAL HG13 H 1 0.959 0.000 . 1 . . . . . 81 VAL HG13 . 52489 1 522 . 1 . 1 81 81 VAL HG21 H 1 0.959 0.000 . 1 . . . . . 81 VAL HG21 . 52489 1 523 . 1 . 1 81 81 VAL HG22 H 1 0.959 0.000 . 1 . . . . . 81 VAL HG22 . 52489 1 524 . 1 . 1 81 81 VAL HG23 H 1 0.959 0.000 . 1 . . . . . 81 VAL HG23 . 52489 1 525 . 1 . 1 81 81 VAL C C 13 178.179 0.003 . 1 . . . . . 81 VAL C . 52489 1 526 . 1 . 1 81 81 VAL CA C 13 66.605 0.164 . 1 . . . . . 81 VAL CA . 52489 1 527 . 1 . 1 81 81 VAL CB C 13 31.747 0.007 . 1 . . . . . 81 VAL CB . 52489 1 528 . 1 . 1 81 81 VAL CG1 C 13 21.584 0.000 . 1 . . . . . 81 VAL CG1 . 52489 1 529 . 1 . 1 81 81 VAL CG2 C 13 21.584 0.000 . 1 . . . . . 81 VAL CG2 . 52489 1 530 . 1 . 1 81 81 VAL N N 15 118.754 0.008 . 1 . . . . . 81 VAL N . 52489 1 531 . 1 . 1 82 82 ALA H H 1 7.511 0.003 . 1 . . . . . 82 ALA H . 52489 1 532 . 1 . 1 82 82 ALA HA H 1 4.237 0.000 . 1 . . . . . 82 ALA HA . 52489 1 533 . 1 . 1 82 82 ALA HB1 H 1 1.533 0.000 . 1 . . . . . 82 ALA HB1 . 52489 1 534 . 1 . 1 82 82 ALA HB2 H 1 1.533 0.000 . 1 . . . . . 82 ALA HB2 . 52489 1 535 . 1 . 1 82 82 ALA HB3 H 1 1.533 0.000 . 1 . . . . . 82 ALA HB3 . 52489 1 536 . 1 . 1 82 82 ALA C C 13 179.277 0.001 . 1 . . . . . 82 ALA C . 52489 1 537 . 1 . 1 82 82 ALA CA C 13 54.435 0.197 . 1 . . . . . 82 ALA CA . 52489 1 538 . 1 . 1 82 82 ALA CB C 13 18.763 0.008 . 1 . . . . . 82 ALA CB . 52489 1 539 . 1 . 1 82 82 ALA N N 15 119.690 0.079 . 1 . . . . . 82 ALA N . 52489 1 540 . 1 . 1 83 83 LYS H H 1 7.431 0.002 . 1 . . . . . 83 LYS H . 52489 1 541 . 1 . 1 83 83 LYS HA H 1 4.686 0.000 . 1 . . . . . 83 LYS HA . 52489 1 542 . 1 . 1 83 83 LYS HB2 H 1 1.973 0.000 . 1 . . . . . 83 LYS HB2 . 52489 1 543 . 1 . 1 83 83 LYS HB3 H 1 1.973 0.000 . 1 . . . . . 83 LYS HB3 . 52489 1 544 . 1 . 1 83 83 LYS HG2 H 1 2.234 0.000 . 1 . . . . . 83 LYS HG2 . 52489 1 545 . 1 . 1 83 83 LYS HG3 H 1 2.234 0.000 . 1 . . . . . 83 LYS HG3 . 52489 1 546 . 1 . 1 83 83 LYS C C 13 178.179 0.003 . 1 . . . . . 83 LYS C . 52489 1 547 . 1 . 1 83 83 LYS CA C 13 55.514 0.182 . 1 . . . . . 83 LYS CA . 52489 1 548 . 1 . 1 83 83 LYS CB C 13 34.718 0.066 . 1 . . . . . 83 LYS CB . 52489 1 549 . 1 . 1 83 83 LYS CG C 13 25.845 0.000 . 1 . . . . . 83 LYS CG . 52489 1 550 . 1 . 1 83 83 LYS N N 15 113.479 0.210 . 1 . . . . . 83 LYS N . 52489 1 551 . 1 . 1 84 84 VAL H H 1 7.899 0.002 . 1 . . . . . 84 VAL H . 52489 1 552 . 1 . 1 84 84 VAL HA H 1 4.006 0.012 . 1 . . . . . 84 VAL HA . 52489 1 553 . 1 . 1 84 84 VAL HB H 1 2.456 0.005 . 1 . . . . . 84 VAL HB . 52489 1 554 . 1 . 1 84 84 VAL HG11 H 1 1.108 0.000 . 1 . . . . . 84 VAL HG11 . 52489 1 555 . 1 . 1 84 84 VAL HG12 H 1 1.108 0.000 . 1 . . . . . 84 VAL HG12 . 52489 1 556 . 1 . 1 84 84 VAL HG13 H 1 1.108 0.000 . 1 . . . . . 84 VAL HG13 . 52489 1 557 . 1 . 1 84 84 VAL HG21 H 1 1.108 0.000 . 1 . . . . . 84 VAL HG21 . 52489 1 558 . 1 . 1 84 84 VAL HG22 H 1 1.108 0.000 . 1 . . . . . 84 VAL HG22 . 52489 1 559 . 1 . 1 84 84 VAL HG23 H 1 1.108 0.000 . 1 . . . . . 84 VAL HG23 . 52489 1 560 . 1 . 1 84 84 VAL C C 13 175.554 0.002 . 1 . . . . . 84 VAL C . 52489 1 561 . 1 . 1 84 84 VAL CA C 13 65.607 0.174 . 1 . . . . . 84 VAL CA . 52489 1 562 . 1 . 1 84 84 VAL CB C 13 31.637 0.180 . 1 . . . . . 84 VAL CB . 52489 1 563 . 1 . 1 84 84 VAL CG1 C 13 19.275 0.000 . 2 . . . . . 84 VAL CG1 . 52489 1 564 . 1 . 1 84 84 VAL CG2 C 13 22.581 0.000 . 2 . . . . . 84 VAL CG2 . 52489 1 565 . 1 . 1 84 84 VAL N N 15 121.845 0.139 . 1 . . . . . 84 VAL N . 52489 1 566 . 1 . 1 85 85 ASN H H 1 8.681 0.002 . 1 . . . . . 85 ASN H . 52489 1 567 . 1 . 1 85 85 ASN HA H 1 4.613 0.000 . 1 . . . . . 85 ASN HA . 52489 1 568 . 1 . 1 85 85 ASN HB2 H 1 2.914 0.022 . 1 . . . . . 85 ASN HB2 . 52489 1 569 . 1 . 1 85 85 ASN HB3 H 1 2.914 0.022 . 1 . . . . . 85 ASN HB3 . 52489 1 570 . 1 . 1 85 85 ASN C C 13 176.213 0.003 . 1 . . . . . 85 ASN C . 52489 1 571 . 1 . 1 85 85 ASN CA C 13 55.570 0.165 . 1 . . . . . 85 ASN CA . 52489 1 572 . 1 . 1 85 85 ASN CB C 13 37.795 0.059 . 1 . . . . . 85 ASN CB . 52489 1 573 . 1 . 1 85 85 ASN N N 15 118.272 0.048 . 1 . . . . . 85 ASN N . 52489 1 574 . 1 . 1 86 86 THR H H 1 7.598 0.003 . 1 . . . . . 86 THR H . 52489 1 575 . 1 . 1 86 86 THR HA H 1 4.556 0.000 . 1 . . . . . 86 THR HA . 52489 1 576 . 1 . 1 86 86 THR HB H 1 4.439 0.011 . 1 . . . . . 86 THR HB . 52489 1 577 . 1 . 1 86 86 THR HG21 H 1 1.100 0.000 . 1 . . . . . 86 THR HG21 . 52489 1 578 . 1 . 1 86 86 THR HG22 H 1 1.100 0.000 . 1 . . . . . 86 THR HG22 . 52489 1 579 . 1 . 1 86 86 THR HG23 H 1 1.100 0.000 . 1 . . . . . 86 THR HG23 . 52489 1 580 . 1 . 1 86 86 THR C C 13 174.457 0.001 . 1 . . . . . 86 THR C . 52489 1 581 . 1 . 1 86 86 THR CA C 13 60.825 0.088 . 1 . . . . . 86 THR CA . 52489 1 582 . 1 . 1 86 86 THR CB C 13 69.709 0.044 . 1 . . . . . 86 THR CB . 52489 1 583 . 1 . 1 86 86 THR CG2 C 13 21.484 0.000 . 1 . . . . . 86 THR CG2 . 52489 1 584 . 1 . 1 86 86 THR N N 15 107.367 0.202 . 1 . . . . . 86 THR N . 52489 1 585 . 1 . 1 87 87 SER H H 1 7.510 0.002 . 1 . . . . . 87 SER H . 52489 1 586 . 1 . 1 87 87 SER HA H 1 4.451 0.000 . 1 . . . . . 87 SER HA . 52489 1 587 . 1 . 1 87 87 SER HB2 H 1 3.276 0.011 . 2 . . . . . 87 SER HB2 . 52489 1 588 . 1 . 1 87 87 SER HB3 H 1 3.567 0.017 . 2 . . . . . 87 SER HB3 . 52489 1 589 . 1 . 1 87 87 SER C C 13 175.334 0.002 . 1 . . . . . 87 SER C . 52489 1 590 . 1 . 1 87 87 SER CA C 13 58.436 0.182 . 1 . . . . . 87 SER CA . 52489 1 591 . 1 . 1 87 87 SER CB C 13 64.727 0.000 . 1 . . . . . 87 SER CB . 52489 1 592 . 1 . 1 87 87 SER N N 15 116.292 0.083 . 1 . . . . . 87 SER N . 52489 1 593 . 1 . 1 88 88 LYS H H 1 9.010 0.002 . 1 . . . . . 88 LYS H . 52489 1 594 . 1 . 1 88 88 LYS HA H 1 4.437 0.012 . 1 . . . . . 88 LYS HA . 52489 1 595 . 1 . 1 88 88 LYS HB2 H 1 1.856 0.000 . 2 . . . . . 88 LYS HB2 . 52489 1 596 . 1 . 1 88 88 LYS HB3 H 1 1.596 0.000 . 2 . . . . . 88 LYS HB3 . 52489 1 597 . 1 . 1 88 88 LYS HG2 H 1 1.449 0.000 . 1 . . . . . 88 LYS HG2 . 52489 1 598 . 1 . 1 88 88 LYS HG3 H 1 1.449 0.000 . 1 . . . . . 88 LYS HG3 . 52489 1 599 . 1 . 1 88 88 LYS HD2 H 1 1.624 0.000 . 1 . . . . . 88 LYS HD2 . 52489 1 600 . 1 . 1 88 88 LYS HD3 H 1 1.624 0.000 . 1 . . . . . 88 LYS HD3 . 52489 1 601 . 1 . 1 88 88 LYS HE2 H 1 1.888 0.000 . 1 . . . . . 88 LYS HE2 . 52489 1 602 . 1 . 1 88 88 LYS HE3 H 1 1.888 0.000 . 1 . . . . . 88 LYS HE3 . 52489 1 603 . 1 . 1 88 88 LYS C C 13 176.213 0.001 . 1 . . . . . 88 LYS C . 52489 1 604 . 1 . 1 88 88 LYS CA C 13 56.605 0.131 . 1 . . . . . 88 LYS CA . 52489 1 605 . 1 . 1 88 88 LYS CB C 13 32.713 0.075 . 1 . . . . . 88 LYS CB . 52489 1 606 . 1 . 1 88 88 LYS CG C 13 24.759 0.000 . 1 . . . . . 88 LYS CG . 52489 1 607 . 1 . 1 88 88 LYS CD C 13 29.147 0.000 . 1 . . . . . 88 LYS CD . 52489 1 608 . 1 . 1 88 88 LYS N N 15 125.081 0.015 . 1 . . . . . 88 LYS N . 52489 1 609 . 1 . 1 89 89 GLY H H 1 8.085 0.001 . 1 . . . . . 89 GLY H . 52489 1 610 . 1 . 1 89 89 GLY HA2 H 1 3.905 0.006 . 1 . . . . . 89 GLY HA2 . 52489 1 611 . 1 . 1 89 89 GLY HA3 H 1 3.905 0.006 . 1 . . . . . 89 GLY HA3 . 52489 1 612 . 1 . 1 89 89 GLY C C 13 171.405 0.002 . 1 . . . . . 89 GLY C . 52489 1 613 . 1 . 1 89 89 GLY CA C 13 44.810 0.073 . 1 . . . . . 89 GLY CA . 52489 1 614 . 1 . 1 89 89 GLY N N 15 108.534 0.085 . 1 . . . . . 89 GLY N . 52489 1 615 . 1 . 1 90 90 PHE H H 1 9.010 0.003 . 1 . . . . . 90 PHE H . 52489 1 616 . 1 . 1 90 90 PHE HA H 1 5.150 0.000 . 1 . . . . . 90 PHE HA . 52489 1 617 . 1 . 1 90 90 PHE HB2 H 1 2.853 0.000 . 1 . . . . . 90 PHE HB2 . 52489 1 618 . 1 . 1 90 90 PHE HB3 H 1 2.853 0.000 . 1 . . . . . 90 PHE HB3 . 52489 1 619 . 1 . 1 90 90 PHE C C 13 173.369 0.002 . 1 . . . . . 90 PHE C . 52489 1 620 . 1 . 1 90 90 PHE CA C 13 58.515 0.213 . 1 . . . . . 90 PHE CA . 52489 1 621 . 1 . 1 90 90 PHE CB C 13 42.757 0.012 . 1 . . . . . 90 PHE CB . 52489 1 622 . 1 . 1 90 90 PHE N N 15 119.127 0.137 . 1 . . . . . 90 PHE N . 52489 1 623 . 1 . 1 91 91 LEU H H 1 9.253 0.003 . 1 . . . . . 91 LEU H . 52489 1 624 . 1 . 1 91 91 LEU HA H 1 4.933 0.000 . 1 . . . . . 91 LEU HA . 52489 1 625 . 1 . 1 91 91 LEU HB2 H 1 1.711 0.000 . 1 . . . . . 91 LEU HB2 . 52489 1 626 . 1 . 1 91 91 LEU HB3 H 1 1.711 0.000 . 1 . . . . . 91 LEU HB3 . 52489 1 627 . 1 . 1 91 91 LEU HG H 1 1.536 0.000 . 1 . . . . . 91 LEU HG . 52489 1 628 . 1 . 1 91 91 LEU HD11 H 1 0.748 0.000 . 1 . . . . . 91 LEU HD11 . 52489 1 629 . 1 . 1 91 91 LEU HD12 H 1 0.748 0.000 . 1 . . . . . 91 LEU HD12 . 52489 1 630 . 1 . 1 91 91 LEU HD13 H 1 0.748 0.000 . 1 . . . . . 91 LEU HD13 . 52489 1 631 . 1 . 1 91 91 LEU HD21 H 1 0.748 0.000 . 1 . . . . . 91 LEU HD21 . 52489 1 632 . 1 . 1 91 91 LEU HD22 H 1 0.748 0.000 . 1 . . . . . 91 LEU HD22 . 52489 1 633 . 1 . 1 91 91 LEU HD23 H 1 0.748 0.000 . 1 . . . . . 91 LEU HD23 . 52489 1 634 . 1 . 1 91 91 LEU C C 13 174.238 0.000 . 1 . . . . . 91 LEU C . 52489 1 635 . 1 . 1 91 91 LEU CA C 13 52.829 0.084 . 1 . . . . . 91 LEU CA . 52489 1 636 . 1 . 1 91 91 LEU CB C 13 43.777 0.014 . 1 . . . . . 91 LEU CB . 52489 1 637 . 1 . 1 91 91 LEU CD1 C 13 25.923 0.000 . 1 . . . . . 91 LEU CD1 . 52489 1 638 . 1 . 1 91 91 LEU CD2 C 13 25.923 0.000 . 1 . . . . . 91 LEU CD2 . 52489 1 639 . 1 . 1 91 91 LEU N N 15 124.825 0.087 . 1 . . . . . 91 LEU N . 52489 1 640 . 1 . 1 92 92 ILE H H 1 9.485 0.002 . 1 . . . . . 92 ILE H . 52489 1 641 . 1 . 1 92 92 ILE HA H 1 4.727 0.000 . 1 . . . . . 92 ILE HA . 52489 1 642 . 1 . 1 92 92 ILE HB H 1 2.444 0.000 . 1 . . . . . 92 ILE HB . 52489 1 643 . 1 . 1 92 92 ILE C C 13 173.161 0.007 . 1 . . . . . 92 ILE C . 52489 1 644 . 1 . 1 92 92 ILE CA C 13 59.789 0.059 . 1 . . . . . 92 ILE CA . 52489 1 645 . 1 . 1 92 92 ILE CB C 13 36.766 0.032 . 1 . . . . . 92 ILE CB . 52489 1 646 . 1 . 1 92 92 ILE CG2 C 13 19.274 0.000 . 1 . . . . . 92 ILE CG2 . 52489 1 647 . 1 . 1 92 92 ILE N N 15 126.916 0.125 . 1 . . . . . 92 ILE N . 52489 1 648 . 1 . 1 93 93 ASP H H 1 9.066 0.003 . 1 . . . . . 93 ASP H . 52489 1 649 . 1 . 1 93 93 ASP C C 13 176.434 0.002 . 1 . . . . . 93 ASP C . 52489 1 650 . 1 . 1 93 93 ASP CA C 13 52.603 0.130 . 1 . . . . . 93 ASP CA . 52489 1 651 . 1 . 1 93 93 ASP CB C 13 42.769 0.031 . 1 . . . . . 93 ASP CB . 52489 1 652 . 1 . 1 93 93 ASP N N 15 126.726 0.097 . 1 . . . . . 93 ASP N . 52489 1 653 . 1 . 1 94 94 GLY H H 1 8.464 0.008 . 1 . . . . . 94 GLY H . 52489 1 654 . 1 . 1 94 94 GLY C C 13 171.389 0.000 . 1 . . . . . 94 GLY C . 52489 1 655 . 1 . 1 94 94 GLY CA C 13 45.450 0.000 . 1 . . . . . 94 GLY CA . 52489 1 656 . 1 . 1 94 94 GLY N N 15 111.425 0.158 . 1 . . . . . 94 GLY N . 52489 1 657 . 1 . 1 96 96 PRO C C 13 176.219 0.003 . 1 . . . . . 96 PRO C . 52489 1 658 . 1 . 1 96 96 PRO CA C 13 61.529 0.229 . 1 . . . . . 96 PRO CA . 52489 1 659 . 1 . 1 97 97 ARG H H 1 8.082 0.002 . 1 . . . . . 97 ARG H . 52489 1 660 . 1 . 1 97 97 ARG HA H 1 4.336 0.000 . 1 . . . . . 97 ARG HA . 52489 1 661 . 1 . 1 97 97 ARG C C 13 174.532 0.079 . 1 . . . . . 97 ARG C . 52489 1 662 . 1 . 1 97 97 ARG CA C 13 54.400 0.227 . 1 . . . . . 97 ARG CA . 52489 1 663 . 1 . 1 97 97 ARG CB C 13 32.756 0.010 . 1 . . . . . 97 ARG CB . 52489 1 664 . 1 . 1 97 97 ARG CG C 13 29.130 0.000 . 1 . . . . . 97 ARG CG . 52489 1 665 . 1 . 1 97 97 ARG CD C 13 42.302 0.000 . 1 . . . . . 97 ARG CD . 52489 1 666 . 1 . 1 97 97 ARG N N 15 114.974 0.076 . 1 . . . . . 97 ARG N . 52489 1 667 . 1 . 1 98 98 GLU H H 1 6.894 0.004 . 1 . . . . . 98 GLU H . 52489 1 668 . 1 . 1 98 98 GLU HA H 1 4.614 0.000 . 1 . . . . . 98 GLU HA . 52489 1 669 . 1 . 1 98 98 GLU HB2 H 1 1.917 0.000 . 2 . . . . . 98 GLU HB2 . 52489 1 670 . 1 . 1 98 98 GLU HB3 H 1 2.180 0.000 . 2 . . . . . 98 GLU HB3 . 52489 1 671 . 1 . 1 98 98 GLU C C 13 177.523 0.004 . 1 . . . . . 98 GLU C . 52489 1 672 . 1 . 1 98 98 GLU CA C 13 53.836 0.089 . 1 . . . . . 98 GLU CA . 52489 1 673 . 1 . 1 98 98 GLU CB C 13 32.737 0.044 . 1 . . . . . 98 GLU CB . 52489 1 674 . 1 . 1 98 98 GLU CG C 13 35.712 0.000 . 1 . . . . . 98 GLU CG . 52489 1 675 . 1 . 1 98 98 GLU N N 15 111.195 0.012 . 1 . . . . . 98 GLU N . 52489 1 676 . 1 . 1 99 99 VAL H H 1 9.644 0.002 . 1 . . . . . 99 VAL H . 52489 1 677 . 1 . 1 99 99 VAL HA H 1 3.106 0.006 . 1 . . . . . 99 VAL HA . 52489 1 678 . 1 . 1 99 99 VAL HB H 1 1.796 0.000 . 1 . . . . . 99 VAL HB . 52489 1 679 . 1 . 1 99 99 VAL HG11 H 1 0.137 0.000 . 2 . . . . . 99 VAL HG11 . 52489 1 680 . 1 . 1 99 99 VAL HG12 H 1 0.137 0.000 . 2 . . . . . 99 VAL HG12 . 52489 1 681 . 1 . 1 99 99 VAL HG13 H 1 0.137 0.000 . 2 . . . . . 99 VAL HG13 . 52489 1 682 . 1 . 1 99 99 VAL HG21 H 1 0.663 0.000 . 2 . . . . . 99 VAL HG21 . 52489 1 683 . 1 . 1 99 99 VAL HG22 H 1 0.663 0.000 . 2 . . . . . 99 VAL HG22 . 52489 1 684 . 1 . 1 99 99 VAL HG23 H 1 0.663 0.000 . 2 . . . . . 99 VAL HG23 . 52489 1 685 . 1 . 1 99 99 VAL C C 13 178.843 0.003 . 1 . . . . . 99 VAL C . 52489 1 686 . 1 . 1 99 99 VAL CA C 13 68.638 0.109 . 1 . . . . . 99 VAL CA . 52489 1 687 . 1 . 1 99 99 VAL CB C 13 30.802 0.035 . 1 . . . . . 99 VAL CB . 52489 1 688 . 1 . 1 99 99 VAL CG1 C 13 22.587 0.000 . 1 . . . . . 99 VAL CG1 . 52489 1 689 . 1 . 1 99 99 VAL CG2 C 13 22.587 0.000 . 1 . . . . . 99 VAL CG2 . 52489 1 690 . 1 . 1 99 99 VAL N N 15 127.956 0.023 . 1 . . . . . 99 VAL N . 52489 1 691 . 1 . 1 100 100 GLN H H 1 9.404 0.003 . 1 . . . . . 100 GLN H . 52489 1 692 . 1 . 1 100 100 GLN C C 13 178.841 0.003 . 1 . . . . . 100 GLN C . 52489 1 693 . 1 . 1 100 100 GLN CA C 13 58.953 0.126 . 1 . . . . . 100 GLN CA . 52489 1 694 . 1 . 1 100 100 GLN CB C 13 27.769 0.001 . 1 . . . . . 100 GLN CB . 52489 1 695 . 1 . 1 100 100 GLN CG C 13 33.524 0.000 . 1 . . . . . 100 GLN CG . 52489 1 696 . 1 . 1 100 100 GLN N N 15 119.095 0.119 . 1 . . . . . 100 GLN N . 52489 1 697 . 1 . 1 101 101 GLN H H 1 6.993 0.004 . 1 . . . . . 101 GLN H . 52489 1 698 . 1 . 1 101 101 GLN C C 13 181.235 0.007 . 1 . . . . . 101 GLN C . 52489 1 699 . 1 . 1 101 101 GLN CA C 13 59.490 0.236 . 1 . . . . . 101 GLN CA . 52489 1 700 . 1 . 1 101 101 GLN CB C 13 26.767 0.006 . 1 . . . . . 101 GLN CB . 52489 1 701 . 1 . 1 101 101 GLN N N 15 114.192 0.102 . 1 . . . . . 101 GLN N . 52489 1 702 . 1 . 1 102 102 GLY H H 1 7.717 0.004 . 1 . . . . . 102 GLY H . 52489 1 703 . 1 . 1 102 102 GLY C C 13 174.026 0.000 . 1 . . . . . 102 GLY C . 52489 1 704 . 1 . 1 102 102 GLY CA C 13 48.505 0.247 . 1 . . . . . 102 GLY CA . 52489 1 705 . 1 . 1 102 102 GLY N N 15 112.361 0.049 . 1 . . . . . 102 GLY N . 52489 1 706 . 1 . 1 103 103 GLU H H 1 7.977 0.004 . 1 . . . . . 103 GLU H . 52489 1 707 . 1 . 1 103 103 GLU HG2 H 1 2.149 0.000 . 1 . . . . . 103 GLU HG2 . 52489 1 708 . 1 . 1 103 103 GLU HG3 H 1 2.149 0.000 . 1 . . . . . 103 GLU HG3 . 52489 1 709 . 1 . 1 103 103 GLU C C 13 180.149 0.000 . 1 . . . . . 103 GLU C . 52489 1 710 . 1 . 1 103 103 GLU CA C 13 60.435 0.303 . 1 . . . . . 103 GLU CA . 52489 1 711 . 1 . 1 103 103 GLU CB C 13 31.711 0.000 . 1 . . . . . 103 GLU CB . 52489 1 712 . 1 . 1 103 103 GLU N N 15 120.580 0.183 . 1 . . . . . 103 GLU N . 52489 1 713 . 1 . 1 105 105 PHE HA H 1 3.691 0.000 . 1 . . . . . 105 PHE HA . 52489 1 714 . 1 . 1 105 105 PHE HB2 H 1 2.236 0.000 . 1 . . . . . 105 PHE HB2 . 52489 1 715 . 1 . 1 105 105 PHE HB3 H 1 2.236 0.000 . 1 . . . . . 105 PHE HB3 . 52489 1 716 . 1 . 1 105 105 PHE C C 13 177.749 0.000 . 1 . . . . . 105 PHE C . 52489 1 717 . 1 . 1 105 105 PHE CA C 13 62.179 0.138 . 1 . . . . . 105 PHE CA . 52489 1 718 . 1 . 1 105 105 PHE CB C 13 40.733 0.001 . 1 . . . . . 105 PHE CB . 52489 1 719 . 1 . 1 106 106 GLU H H 1 8.493 0.004 . 1 . . . . . 106 GLU H . 52489 1 720 . 1 . 1 106 106 GLU HA H 1 4.666 0.000 . 1 . . . . . 106 GLU HA . 52489 1 721 . 1 . 1 106 106 GLU C C 13 177.966 0.004 . 1 . . . . . 106 GLU C . 52489 1 722 . 1 . 1 106 106 GLU CA C 13 58.837 0.144 . 1 . . . . . 106 GLU CA . 52489 1 723 . 1 . 1 106 106 GLU CB C 13 29.859 0.158 . 1 . . . . . 106 GLU CB . 52489 1 724 . 1 . 1 106 106 GLU CG C 13 37.908 0.000 . 1 . . . . . 106 GLU CG . 52489 1 725 . 1 . 1 106 106 GLU N N 15 120.013 0.245 . 1 . . . . . 106 GLU N . 52489 1 726 . 1 . 1 107 107 ARG H H 1 7.599 0.003 . 1 . . . . . 107 ARG H . 52489 1 727 . 1 . 1 107 107 ARG C C 13 178.176 0.000 . 1 . . . . . 107 ARG C . 52489 1 728 . 1 . 1 107 107 ARG CA C 13 58.795 0.030 . 1 . . . . . 107 ARG CA . 52489 1 729 . 1 . 1 107 107 ARG CB C 13 31.759 0.019 . 1 . . . . . 107 ARG CB . 52489 1 730 . 1 . 1 107 107 ARG N N 15 116.549 0.059 . 1 . . . . . 107 ARG N . 52489 1 731 . 1 . 1 109 109 ILE H H 1 8.324 0.004 . 1 . . . . . 109 ILE H . 52489 1 732 . 1 . 1 109 109 ILE HA H 1 3.904 0.008 . 1 . . . . . 109 ILE HA . 52489 1 733 . 1 . 1 109 109 ILE HG12 H 1 0.278 0.000 . 1 . . . . . 109 ILE HG12 . 52489 1 734 . 1 . 1 109 109 ILE HG13 H 1 0.278 0.000 . 1 . . . . . 109 ILE HG13 . 52489 1 735 . 1 . 1 109 109 ILE HD11 H 1 0.573 0.000 . 1 . . . . . 109 ILE HD11 . 52489 1 736 . 1 . 1 109 109 ILE HD12 H 1 0.573 0.000 . 1 . . . . . 109 ILE HD12 . 52489 1 737 . 1 . 1 109 109 ILE HD13 H 1 0.573 0.000 . 1 . . . . . 109 ILE HD13 . 52489 1 738 . 1 . 1 109 109 ILE C C 13 174.675 0.000 . 1 . . . . . 109 ILE C . 52489 1 739 . 1 . 1 109 109 ILE CA C 13 62.746 0.000 . 1 . . . . . 109 ILE CA . 52489 1 740 . 1 . 1 109 109 ILE CB C 13 37.768 0.000 . 1 . . . . . 109 ILE CB . 52489 1 741 . 1 . 1 109 109 ILE CG1 C 13 26.932 0.000 . 1 . . . . . 109 ILE CG1 . 52489 1 742 . 1 . 1 109 109 ILE CG2 C 13 18.247 0.000 . 1 . . . . . 109 ILE CG2 . 52489 1 743 . 1 . 1 109 109 ILE N N 15 126.598 0.016 . 1 . . . . . 109 ILE N . 52489 1 744 . 1 . 1 110 110 GLY H H 1 7.364 0.003 . 1 . . . . . 110 GLY H . 52489 1 745 . 1 . 1 110 110 GLY HA2 H 1 3.986 0.001 . 1 . . . . . 110 GLY HA2 . 52489 1 746 . 1 . 1 110 110 GLY HA3 H 1 3.986 0.001 . 1 . . . . . 110 GLY HA3 . 52489 1 747 . 1 . 1 110 110 GLY C C 13 170.521 0.002 . 1 . . . . . 110 GLY C . 52489 1 748 . 1 . 1 110 110 GLY CA C 13 45.619 0.155 . 1 . . . . . 110 GLY CA . 52489 1 749 . 1 . 1 110 110 GLY N N 15 105.606 0.158 . 1 . . . . . 110 GLY N . 52489 1 750 . 1 . 1 111 111 GLN H H 1 8.374 0.003 . 1 . . . . . 111 GLN H . 52489 1 751 . 1 . 1 111 111 GLN C C 13 174.467 0.000 . 1 . . . . . 111 GLN C . 52489 1 752 . 1 . 1 111 111 GLN CA C 13 53.503 0.233 . 1 . . . . . 111 GLN CA . 52489 1 753 . 1 . 1 111 111 GLN CB C 13 29.753 0.000 . 1 . . . . . 111 GLN CB . 52489 1 754 . 1 . 1 111 111 GLN N N 15 116.173 0.064 . 1 . . . . . 111 GLN N . 52489 1 755 . 1 . 1 112 112 PRO HA H 1 4.072 0.001 . 1 . . . . . 112 PRO HA . 52489 1 756 . 1 . 1 112 112 PRO HB2 H 1 0.931 0.006 . 1 . . . . . 112 PRO HB2 . 52489 1 757 . 1 . 1 112 112 PRO HB3 H 1 0.931 0.006 . 1 . . . . . 112 PRO HB3 . 52489 1 758 . 1 . 1 112 112 PRO HD2 H 1 0.306 0.000 . 1 . . . . . 112 PRO HD2 . 52489 1 759 . 1 . 1 112 112 PRO HD3 H 1 0.306 0.000 . 1 . . . . . 112 PRO HD3 . 52489 1 760 . 1 . 1 112 112 PRO C C 13 175.555 0.000 . 1 . . . . . 112 PRO C . 52489 1 761 . 1 . 1 112 112 PRO CA C 13 61.773 0.085 . 1 . . . . . 112 PRO CA . 52489 1 762 . 1 . 1 112 112 PRO CB C 13 30.579 0.247 . 1 . . . . . 112 PRO CB . 52489 1 763 . 1 . 1 112 112 PRO CG C 13 26.944 0.000 . 1 . . . . . 112 PRO CG . 52489 1 764 . 1 . 1 113 113 THR H H 1 9.500 0.002 . 1 . . . . . 113 THR H . 52489 1 765 . 1 . 1 113 113 THR HA H 1 4.072 0.000 . 1 . . . . . 113 THR HA . 52489 1 766 . 1 . 1 113 113 THR HB H 1 3.694 0.000 . 1 . . . . . 113 THR HB . 52489 1 767 . 1 . 1 113 113 THR HG21 H 1 1.269 0.000 . 1 . . . . . 113 THR HG21 . 52489 1 768 . 1 . 1 113 113 THR HG22 H 1 1.269 0.000 . 1 . . . . . 113 THR HG22 . 52489 1 769 . 1 . 1 113 113 THR HG23 H 1 1.269 0.000 . 1 . . . . . 113 THR HG23 . 52489 1 770 . 1 . 1 113 113 THR C C 13 173.149 0.000 . 1 . . . . . 113 THR C . 52489 1 771 . 1 . 1 113 113 THR CA C 13 64.601 0.173 . 1 . . . . . 113 THR CA . 52489 1 772 . 1 . 1 113 113 THR CB C 13 69.740 0.017 . 1 . . . . . 113 THR CB . 52489 1 773 . 1 . 1 113 113 THR N N 15 118.363 0.108 . 1 . . . . . 113 THR N . 52489 1 774 . 1 . 1 114 114 LEU H H 1 7.285 0.001 . 1 . . . . . 114 LEU H . 52489 1 775 . 1 . 1 114 114 LEU HA H 1 4.561 0.000 . 1 . . . . . 114 LEU HA . 52489 1 776 . 1 . 1 114 114 LEU HB2 H 1 1.423 0.000 . 1 . . . . . 114 LEU HB2 . 52489 1 777 . 1 . 1 114 114 LEU HB3 H 1 1.423 0.000 . 1 . . . . . 114 LEU HB3 . 52489 1 778 . 1 . 1 114 114 LEU C C 13 173.003 0.052 . 1 . . . . . 114 LEU C . 52489 1 779 . 1 . 1 114 114 LEU CA C 13 53.778 0.030 . 1 . . . . . 114 LEU CA . 52489 1 780 . 1 . 1 114 114 LEU CB C 13 48.805 0.065 . 1 . . . . . 114 LEU CB . 52489 1 781 . 1 . 1 114 114 LEU N N 15 117.011 0.153 . 1 . . . . . 114 LEU N . 52489 1 782 . 1 . 1 115 115 LEU H H 1 8.510 0.003 . 1 . . . . . 115 LEU H . 52489 1 783 . 1 . 1 115 115 LEU C C 13 174.014 0.007 . 1 . . . . . 115 LEU C . 52489 1 784 . 1 . 1 115 115 LEU CA C 13 54.684 0.098 . 1 . . . . . 115 LEU CA . 52489 1 785 . 1 . 1 115 115 LEU CB C 13 44.736 0.021 . 1 . . . . . 115 LEU CB . 52489 1 786 . 1 . 1 115 115 LEU N N 15 126.531 0.042 . 1 . . . . . 115 LEU N . 52489 1 787 . 1 . 1 116 116 LEU H H 1 9.403 0.002 . 1 . . . . . 116 LEU H . 52489 1 788 . 1 . 1 116 116 LEU HA H 1 4.795 0.000 . 1 . . . . . 116 LEU HA . 52489 1 789 . 1 . 1 116 116 LEU HB2 H 1 1.431 0.000 . 1 . . . . . 116 LEU HB2 . 52489 1 790 . 1 . 1 116 116 LEU HB3 H 1 1.431 0.000 . 1 . . . . . 116 LEU HB3 . 52489 1 791 . 1 . 1 116 116 LEU HG H 1 1.488 0.000 . 1 . . . . . 116 LEU HG . 52489 1 792 . 1 . 1 116 116 LEU HD11 H 1 0.761 0.000 . 1 . . . . . 116 LEU HD11 . 52489 1 793 . 1 . 1 116 116 LEU HD12 H 1 0.761 0.000 . 1 . . . . . 116 LEU HD12 . 52489 1 794 . 1 . 1 116 116 LEU HD13 H 1 0.761 0.000 . 1 . . . . . 116 LEU HD13 . 52489 1 795 . 1 . 1 116 116 LEU HD21 H 1 0.761 0.000 . 1 . . . . . 116 LEU HD21 . 52489 1 796 . 1 . 1 116 116 LEU HD22 H 1 0.761 0.000 . 1 . . . . . 116 LEU HD22 . 52489 1 797 . 1 . 1 116 116 LEU HD23 H 1 0.761 0.000 . 1 . . . . . 116 LEU HD23 . 52489 1 798 . 1 . 1 116 116 LEU C C 13 172.712 0.002 . 1 . . . . . 116 LEU C . 52489 1 799 . 1 . 1 116 116 LEU CA C 13 53.743 0.082 . 1 . . . . . 116 LEU CA . 52489 1 800 . 1 . 1 116 116 LEU CB C 13 43.690 0.144 . 1 . . . . . 116 LEU CB . 52489 1 801 . 1 . 1 116 116 LEU CD1 C 13 24.786 0.000 . 1 . . . . . 116 LEU CD1 . 52489 1 802 . 1 . 1 116 116 LEU CD2 C 13 24.786 0.000 . 1 . . . . . 116 LEU CD2 . 52489 1 803 . 1 . 1 116 116 LEU N N 15 128.230 0.115 . 1 . . . . . 116 LEU N . 52489 1 804 . 1 . 1 117 117 TYR H H 1 8.854 0.002 . 1 . . . . . 117 TYR H . 52489 1 805 . 1 . 1 117 117 TYR C C 13 173.153 0.001 . 1 . . . . . 117 TYR C . 52489 1 806 . 1 . 1 117 117 TYR CA C 13 52.736 0.092 . 1 . . . . . 117 TYR CA . 52489 1 807 . 1 . 1 117 117 TYR CB C 13 39.227 0.324 . 1 . . . . . 117 TYR CB . 52489 1 808 . 1 . 1 117 117 TYR N N 15 129.332 0.022 . 1 . . . . . 117 TYR N . 52489 1 809 . 1 . 1 118 118 VAL H H 1 8.960 0.003 . 1 . . . . . 118 VAL H . 52489 1 810 . 1 . 1 118 118 VAL HA H 1 3.807 0.003 . 1 . . . . . 118 VAL HA . 52489 1 811 . 1 . 1 118 118 VAL HB H 1 1.966 0.000 . 1 . . . . . 118 VAL HB . 52489 1 812 . 1 . 1 118 118 VAL HG11 H 1 0.576 0.000 . 1 . . . . . 118 VAL HG11 . 52489 1 813 . 1 . 1 118 118 VAL HG12 H 1 0.576 0.000 . 1 . . . . . 118 VAL HG12 . 52489 1 814 . 1 . 1 118 118 VAL HG13 H 1 0.576 0.000 . 1 . . . . . 118 VAL HG13 . 52489 1 815 . 1 . 1 118 118 VAL HG21 H 1 0.576 0.000 . 1 . . . . . 118 VAL HG21 . 52489 1 816 . 1 . 1 118 118 VAL HG22 H 1 0.576 0.000 . 1 . . . . . 118 VAL HG22 . 52489 1 817 . 1 . 1 118 118 VAL HG23 H 1 0.576 0.000 . 1 . . . . . 118 VAL HG23 . 52489 1 818 . 1 . 1 118 118 VAL C C 13 173.000 0.081 . 1 . . . . . 118 VAL C . 52489 1 819 . 1 . 1 118 118 VAL CA C 13 61.855 0.101 . 1 . . . . . 118 VAL CA . 52489 1 820 . 1 . 1 118 118 VAL CB C 13 30.750 0.020 . 1 . . . . . 118 VAL CB . 52489 1 821 . 1 . 1 118 118 VAL CG1 C 13 22.596 0.000 . 2 . . . . . 118 VAL CG1 . 52489 1 822 . 1 . 1 118 118 VAL CG2 C 13 20.361 0.000 . 2 . . . . . 118 VAL CG2 . 52489 1 823 . 1 . 1 118 118 VAL N N 15 129.685 0.107 . 1 . . . . . 118 VAL N . 52489 1 824 . 1 . 1 119 119 ASP H H 1 8.003 0.003 . 1 . . . . . 119 ASP H . 52489 1 825 . 1 . 1 119 119 ASP HA H 1 4.340 0.000 . 1 . . . . . 119 ASP HA . 52489 1 826 . 1 . 1 119 119 ASP C C 13 173.805 0.002 . 1 . . . . . 119 ASP C . 52489 1 827 . 1 . 1 119 119 ASP CA C 13 54.637 0.104 . 1 . . . . . 119 ASP CA . 52489 1 828 . 1 . 1 119 119 ASP CB C 13 41.743 0.018 . 1 . . . . . 119 ASP CB . 52489 1 829 . 1 . 1 119 119 ASP N N 15 125.408 0.105 . 1 . . . . . 119 ASP N . 52489 1 830 . 1 . 1 120 120 ALA H H 1 7.879 0.002 . 1 . . . . . 120 ALA H . 52489 1 831 . 1 . 1 120 120 ALA C C 13 175.304 0.000 . 1 . . . . . 120 ALA C . 52489 1 832 . 1 . 1 120 120 ALA CA C 13 49.792 0.069 . 1 . . . . . 120 ALA CA . 52489 1 833 . 1 . 1 120 120 ALA CB C 13 22.750 0.012 . 1 . . . . . 120 ALA CB . 52489 1 834 . 1 . 1 120 120 ALA N N 15 129.499 0.087 . 1 . . . . . 120 ALA N . 52489 1 835 . 1 . 1 121 121 GLY H H 1 9.090 0.002 . 1 . . . . . 121 GLY H . 52489 1 836 . 1 . 1 121 121 GLY CA C 13 44.584 0.170 . 1 . . . . . 121 GLY CA . 52489 1 837 . 1 . 1 121 121 GLY N N 15 107.880 0.055 . 1 . . . . . 121 GLY N . 52489 1 838 . 1 . 1 122 122 PRO HA H 1 4.396 0.000 . 1 . . . . . 122 PRO HA . 52489 1 839 . 1 . 1 122 122 PRO C C 13 179.714 0.000 . 1 . . . . . 122 PRO C . 52489 1 840 . 1 . 1 122 122 PRO CA C 13 65.530 0.225 . 1 . . . . . 122 PRO CA . 52489 1 841 . 1 . 1 122 122 PRO CB C 13 31.518 0.200 . 1 . . . . . 122 PRO CB . 52489 1 842 . 1 . 1 123 123 GLU H H 1 8.749 0.004 . 1 . . . . . 123 GLU H . 52489 1 843 . 1 . 1 123 123 GLU HA H 1 4.143 0.017 . 1 . . . . . 123 GLU HA . 52489 1 844 . 1 . 1 123 123 GLU HB2 H 1 2.126 0.000 . 2 . . . . . 123 GLU HB2 . 52489 1 845 . 1 . 1 123 123 GLU HB3 H 1 2.022 0.000 . 2 . . . . . 123 GLU HB3 . 52489 1 846 . 1 . 1 123 123 GLU HG2 H 1 2.326 0.000 . 2 . . . . . 123 GLU HG2 . 52489 1 847 . 1 . 1 123 123 GLU HG3 H 1 2.061 0.000 . 2 . . . . . 123 GLU HG3 . 52489 1 848 . 1 . 1 123 123 GLU C C 13 178.838 0.001 . 1 . . . . . 123 GLU C . 52489 1 849 . 1 . 1 123 123 GLU CA C 13 59.881 0.188 . 1 . . . . . 123 GLU CA . 52489 1 850 . 1 . 1 123 123 GLU CB C 13 28.573 0.297 . 1 . . . . . 123 GLU CB . 52489 1 851 . 1 . 1 123 123 GLU CG C 13 36.812 0.000 . 1 . . . . . 123 GLU CG . 52489 1 852 . 1 . 1 123 123 GLU N N 15 121.735 0.171 . 1 . . . . . 123 GLU N . 52489 1 853 . 1 . 1 124 124 THR H H 1 7.675 0.002 . 1 . . . . . 124 THR H . 52489 1 854 . 1 . 1 124 124 THR C C 13 175.983 0.003 . 1 . . . . . 124 THR C . 52489 1 855 . 1 . 1 124 124 THR CA C 13 65.960 0.152 . 1 . . . . . 124 THR CA . 52489 1 856 . 1 . 1 124 124 THR CB C 13 67.799 0.043 . 1 . . . . . 124 THR CB . 52489 1 857 . 1 . 1 124 124 THR N N 15 119.290 0.046 . 1 . . . . . 124 THR N . 52489 1 858 . 1 . 1 125 125 MET H H 1 7.900 0.004 . 1 . . . . . 125 MET H . 52489 1 859 . 1 . 1 125 125 MET HA H 1 3.425 0.000 . 1 . . . . . 125 MET HA . 52489 1 860 . 1 . 1 125 125 MET C C 13 177.303 0.004 . 1 . . . . . 125 MET C . 52489 1 861 . 1 . 1 125 125 MET CA C 13 61.653 0.107 . 1 . . . . . 125 MET CA . 52489 1 862 . 1 . 1 125 125 MET CB C 13 33.760 0.022 . 1 . . . . . 125 MET CB . 52489 1 863 . 1 . 1 125 125 MET N N 15 119.820 0.121 . 1 . . . . . 125 MET N . 52489 1 864 . 1 . 1 126 126 THR H H 1 7.931 0.003 . 1 . . . . . 126 THR H . 52489 1 865 . 1 . 1 126 126 THR HA H 1 4.232 0.000 . 1 . . . . . 126 THR HA . 52489 1 866 . 1 . 1 126 126 THR HG21 H 1 1.210 0.000 . 1 . . . . . 126 THR HG21 . 52489 1 867 . 1 . 1 126 126 THR HG22 H 1 1.210 0.000 . 1 . . . . . 126 THR HG22 . 52489 1 868 . 1 . 1 126 126 THR HG23 H 1 1.210 0.000 . 1 . . . . . 126 THR HG23 . 52489 1 869 . 1 . 1 126 126 THR C C 13 175.771 0.000 . 1 . . . . . 126 THR C . 52489 1 870 . 1 . 1 126 126 THR CA C 13 67.945 0.166 . 1 . . . . . 126 THR CA . 52489 1 871 . 1 . 1 126 126 THR CB C 13 68.749 0.029 . 1 . . . . . 126 THR CB . 52489 1 872 . 1 . 1 126 126 THR CG2 C 13 20.379 0.000 . 1 . . . . . 126 THR CG2 . 52489 1 873 . 1 . 1 126 126 THR N N 15 112.629 0.056 . 1 . . . . . 126 THR N . 52489 1 874 . 1 . 1 127 127 GLN H H 1 8.040 0.005 . 1 . . . . . 127 GLN H . 52489 1 875 . 1 . 1 127 127 GLN HA H 1 3.939 0.024 . 1 . . . . . 127 GLN HA . 52489 1 876 . 1 . 1 127 127 GLN HB2 H 1 2.183 0.000 . 1 . . . . . 127 GLN HB2 . 52489 1 877 . 1 . 1 127 127 GLN HB3 H 1 2.183 0.000 . 1 . . . . . 127 GLN HB3 . 52489 1 878 . 1 . 1 127 127 GLN HG2 H 1 2.500 0.000 . 2 . . . . . 127 GLN HG2 . 52489 1 879 . 1 . 1 127 127 GLN HG3 H 1 2.150 0.000 . 2 . . . . . 127 GLN HG3 . 52489 1 880 . 1 . 1 127 127 GLN C C 13 179.705 0.004 . 1 . . . . . 127 GLN C . 52489 1 881 . 1 . 1 127 127 GLN CA C 13 59.599 0.181 . 1 . . . . . 127 GLN CA . 52489 1 882 . 1 . 1 127 127 GLN CB C 13 27.802 0.020 . 1 . . . . . 127 GLN CB . 52489 1 883 . 1 . 1 127 127 GLN N N 15 118.865 0.050 . 1 . . . . . 127 GLN N . 52489 1 884 . 1 . 1 128 128 ARG H H 1 8.151 0.002 . 1 . . . . . 128 ARG H . 52489 1 885 . 1 . 1 128 128 ARG C C 13 180.585 0.001 . 1 . . . . . 128 ARG C . 52489 1 886 . 1 . 1 128 128 ARG CA C 13 59.797 0.084 . 1 . . . . . 128 ARG CA . 52489 1 887 . 1 . 1 128 128 ARG CB C 13 30.755 0.021 . 1 . . . . . 128 ARG CB . 52489 1 888 . 1 . 1 128 128 ARG N N 15 118.076 0.006 . 1 . . . . . 128 ARG N . 52489 1 889 . 1 . 1 129 129 LEU H H 1 7.941 0.004 . 1 . . . . . 129 LEU H . 52489 1 890 . 1 . 1 129 129 LEU HA H 1 4.080 0.001 . 1 . . . . . 129 LEU HA . 52489 1 891 . 1 . 1 129 129 LEU HB2 H 1 1.886 0.000 . 1 . . . . . 129 LEU HB2 . 52489 1 892 . 1 . 1 129 129 LEU HB3 H 1 1.886 0.000 . 1 . . . . . 129 LEU HB3 . 52489 1 893 . 1 . 1 129 129 LEU HD11 H 1 0.748 0.000 . 1 . . . . . 129 LEU HD11 . 52489 1 894 . 1 . 1 129 129 LEU HD12 H 1 0.748 0.000 . 1 . . . . . 129 LEU HD12 . 52489 1 895 . 1 . 1 129 129 LEU HD13 H 1 0.748 0.000 . 1 . . . . . 129 LEU HD13 . 52489 1 896 . 1 . 1 129 129 LEU HD21 H 1 0.748 0.000 . 1 . . . . . 129 LEU HD21 . 52489 1 897 . 1 . 1 129 129 LEU HD22 H 1 0.748 0.000 . 1 . . . . . 129 LEU HD22 . 52489 1 898 . 1 . 1 129 129 LEU HD23 H 1 0.748 0.000 . 1 . . . . . 129 LEU HD23 . 52489 1 899 . 1 . 1 129 129 LEU C C 13 178.838 0.002 . 1 . . . . . 129 LEU C . 52489 1 900 . 1 . 1 129 129 LEU CA C 13 57.675 0.090 . 1 . . . . . 129 LEU CA . 52489 1 901 . 1 . 1 129 129 LEU CB C 13 42.737 0.003 . 1 . . . . . 129 LEU CB . 52489 1 902 . 1 . 1 129 129 LEU N N 15 120.063 0.275 . 1 . . . . . 129 LEU N . 52489 1 903 . 1 . 1 130 130 LEU H H 1 8.694 0.002 . 1 . . . . . 130 LEU H . 52489 1 904 . 1 . 1 130 130 LEU HA H 1 4.019 0.000 . 1 . . . . . 130 LEU HA . 52489 1 905 . 1 . 1 130 130 LEU HB2 H 1 1.854 0.000 . 1 . . . . . 130 LEU HB2 . 52489 1 906 . 1 . 1 130 130 LEU HB3 H 1 1.854 0.000 . 1 . . . . . 130 LEU HB3 . 52489 1 907 . 1 . 1 130 130 LEU C C 13 180.808 0.001 . 1 . . . . . 130 LEU C . 52489 1 908 . 1 . 1 130 130 LEU CA C 13 57.701 0.064 . 1 . . . . . 130 LEU CA . 52489 1 909 . 1 . 1 130 130 LEU CB C 13 41.628 0.212 . 1 . . . . . 130 LEU CB . 52489 1 910 . 1 . 1 130 130 LEU CD1 C 13 26.917 0.000 . 1 . . . . . 130 LEU CD1 . 52489 1 911 . 1 . 1 130 130 LEU CD2 C 13 26.917 0.000 . 1 . . . . . 130 LEU CD2 . 52489 1 912 . 1 . 1 130 130 LEU N N 15 121.340 0.121 . 1 . . . . . 130 LEU N . 52489 1 913 . 1 . 1 131 131 LYS H H 1 7.653 0.003 . 1 . . . . . 131 LYS H . 52489 1 914 . 1 . 1 131 131 LYS HA H 1 4.236 0.008 . 1 . . . . . 131 LYS HA . 52489 1 915 . 1 . 1 131 131 LYS HB2 H 1 1.966 0.002 . 1 . . . . . 131 LYS HB2 . 52489 1 916 . 1 . 1 131 131 LYS HB3 H 1 1.966 0.002 . 1 . . . . . 131 LYS HB3 . 52489 1 917 . 1 . 1 131 131 LYS HD2 H 1 1.536 0.000 . 1 . . . . . 131 LYS HD2 . 52489 1 918 . 1 . 1 131 131 LYS HD3 H 1 1.536 0.000 . 1 . . . . . 131 LYS HD3 . 52489 1 919 . 1 . 1 131 131 LYS C C 13 179.716 0.003 . 1 . . . . . 131 LYS C . 52489 1 920 . 1 . 1 131 131 LYS CA C 13 58.644 0.099 . 1 . . . . . 131 LYS CA . 52489 1 921 . 1 . 1 131 131 LYS CB C 13 31.702 0.174 . 1 . . . . . 131 LYS CB . 52489 1 922 . 1 . 1 131 131 LYS CG C 13 24.760 0.000 . 1 . . . . . 131 LYS CG . 52489 1 923 . 1 . 1 131 131 LYS N N 15 118.354 0.082 . 1 . . . . . 131 LYS N . 52489 1 924 . 1 . 1 132 132 ARG H H 1 8.101 0.002 . 1 . . . . . 132 ARG H . 52489 1 925 . 1 . 1 132 132 ARG HA H 1 4.075 0.001 . 1 . . . . . 132 ARG HA . 52489 1 926 . 1 . 1 132 132 ARG HB2 H 1 1.965 0.000 . 1 . . . . . 132 ARG HB2 . 52489 1 927 . 1 . 1 132 132 ARG HB3 H 1 1.965 0.000 . 1 . . . . . 132 ARG HB3 . 52489 1 928 . 1 . 1 132 132 ARG C C 13 179.510 0.019 . 1 . . . . . 132 ARG C . 52489 1 929 . 1 . 1 132 132 ARG CA C 13 59.804 0.091 . 1 . . . . . 132 ARG CA . 52489 1 930 . 1 . 1 132 132 ARG CB C 13 30.762 0.010 . 1 . . . . . 132 ARG CB . 52489 1 931 . 1 . 1 132 132 ARG CG C 13 26.960 0.000 . 1 . . . . . 132 ARG CG . 52489 1 932 . 1 . 1 132 132 ARG N N 15 122.415 0.059 . 1 . . . . . 132 ARG N . 52489 1 933 . 1 . 1 133 133 GLY H H 1 8.870 0.002 . 1 . . . . . 133 GLY H . 52489 1 934 . 1 . 1 133 133 GLY HA2 H 1 4.125 0.000 . 2 . . . . . 133 GLY HA2 . 52489 1 935 . 1 . 1 133 133 GLY HA3 H 1 4.260 0.000 . 2 . . . . . 133 GLY HA3 . 52489 1 936 . 1 . 1 133 133 GLY C C 13 175.119 0.002 . 1 . . . . . 133 GLY C . 52489 1 937 . 1 . 1 133 133 GLY CA C 13 47.579 0.184 . 1 . . . . . 133 GLY CA . 52489 1 938 . 1 . 1 133 133 GLY N N 15 107.268 0.164 . 1 . . . . . 133 GLY N . 52489 1 939 . 1 . 1 134 134 GLU H H 1 7.710 0.002 . 1 . . . . . 134 GLU H . 52489 1 940 . 1 . 1 134 134 GLU HA H 1 4.243 0.007 . 1 . . . . . 134 GLU HA . 52489 1 941 . 1 . 1 134 134 GLU HB2 H 1 2.234 0.001 . 1 . . . . . 134 GLU HB2 . 52489 1 942 . 1 . 1 134 134 GLU HB3 H 1 2.234 0.001 . 1 . . . . . 134 GLU HB3 . 52489 1 943 . 1 . 1 134 134 GLU HG2 H 1 2.682 0.000 . 2 . . . . . 134 GLU HG2 . 52489 1 944 . 1 . 1 134 134 GLU HG3 H 1 2.410 0.000 . 2 . . . . . 134 GLU HG3 . 52489 1 945 . 1 . 1 134 134 GLU C C 13 178.401 0.003 . 1 . . . . . 134 GLU C . 52489 1 946 . 1 . 1 134 134 GLU CA C 13 58.801 0.106 . 1 . . . . . 134 GLU CA . 52489 1 947 . 1 . 1 134 134 GLU CB C 13 29.767 0.001 . 1 . . . . . 134 GLU CB . 52489 1 948 . 1 . 1 134 134 GLU CG C 13 35.884 0.000 . 1 . . . . . 134 GLU CG . 52489 1 949 . 1 . 1 134 134 GLU N N 15 119.773 0.136 . 1 . . . . . 134 GLU N . 52489 1 950 . 1 . 1 135 135 THR H H 1 7.783 0.002 . 1 . . . . . 135 THR H . 52489 1 951 . 1 . 1 135 135 THR C C 13 176.298 0.000 . 1 . . . . . 135 THR C . 52489 1 952 . 1 . 1 135 135 THR CA C 13 62.103 0.000 . 1 . . . . . 135 THR CA . 52489 1 953 . 1 . 1 135 135 THR CB C 13 71.681 0.000 . 1 . . . . . 135 THR CB . 52489 1 954 . 1 . 1 135 135 THR N N 15 105.700 0.155 . 1 . . . . . 135 THR N . 52489 1 955 . 1 . 1 136 136 SER HA H 1 4.338 0.002 . 1 . . . . . 136 SER HA . 52489 1 956 . 1 . 1 136 136 SER HB2 H 1 3.906 0.006 . 2 . . . . . 136 SER HB2 . 52489 1 957 . 1 . 1 136 136 SER HB3 H 1 4.072 0.000 . 2 . . . . . 136 SER HB3 . 52489 1 958 . 1 . 1 136 136 SER C C 13 175.782 0.000 . 1 . . . . . 136 SER C . 52489 1 959 . 1 . 1 136 136 SER CA C 13 59.771 0.048 . 1 . . . . . 136 SER CA . 52489 1 960 . 1 . 1 136 136 SER CB C 13 63.752 0.006 . 1 . . . . . 136 SER CB . 52489 1 961 . 1 . 1 137 137 GLY H H 1 8.647 0.001 . 1 . . . . . 137 GLY H . 52489 1 962 . 1 . 1 137 137 GLY C C 13 174.687 0.001 . 1 . . . . . 137 GLY C . 52489 1 963 . 1 . 1 137 137 GLY CA C 13 45.779 0.021 . 1 . . . . . 137 GLY CA . 52489 1 964 . 1 . 1 137 137 GLY N N 15 110.949 0.034 . 1 . . . . . 137 GLY N . 52489 1 965 . 1 . 1 138 138 ARG H H 1 8.301 0.004 . 1 . . . . . 138 ARG H . 52489 1 966 . 1 . 1 138 138 ARG HA H 1 4.341 0.002 . 1 . . . . . 138 ARG HA . 52489 1 967 . 1 . 1 138 138 ARG HB2 H 1 2.165 0.000 . 1 . . . . . 138 ARG HB2 . 52489 1 968 . 1 . 1 138 138 ARG HB3 H 1 2.165 0.000 . 1 . . . . . 138 ARG HB3 . 52489 1 969 . 1 . 1 138 138 ARG HG2 H 1 1.701 0.000 . 1 . . . . . 138 ARG HG2 . 52489 1 970 . 1 . 1 138 138 ARG HG3 H 1 1.701 0.000 . 1 . . . . . 138 ARG HG3 . 52489 1 971 . 1 . 1 138 138 ARG C C 13 179.064 0.003 . 1 . . . . . 138 ARG C . 52489 1 972 . 1 . 1 138 138 ARG CA C 13 55.747 0.125 . 1 . . . . . 138 ARG CA . 52489 1 973 . 1 . 1 138 138 ARG CB C 13 30.626 0.209 . 1 . . . . . 138 ARG CB . 52489 1 974 . 1 . 1 138 138 ARG CG C 13 28.040 0.000 . 1 . . . . . 138 ARG CG . 52489 1 975 . 1 . 1 138 138 ARG N N 15 120.789 0.040 . 1 . . . . . 138 ARG N . 52489 1 976 . 1 . 1 139 139 VAL H H 1 8.857 0.002 . 1 . . . . . 139 VAL H . 52489 1 977 . 1 . 1 139 139 VAL HA H 1 3.975 0.010 . 1 . . . . . 139 VAL HA . 52489 1 978 . 1 . 1 139 139 VAL HB H 1 2.237 0.000 . 1 . . . . . 139 VAL HB . 52489 1 979 . 1 . 1 139 139 VAL HG11 H 1 1.012 0.000 . 1 . . . . . 139 VAL HG11 . 52489 1 980 . 1 . 1 139 139 VAL HG12 H 1 1.012 0.000 . 1 . . . . . 139 VAL HG12 . 52489 1 981 . 1 . 1 139 139 VAL HG13 H 1 1.012 0.000 . 1 . . . . . 139 VAL HG13 . 52489 1 982 . 1 . 1 139 139 VAL HG21 H 1 1.012 0.000 . 1 . . . . . 139 VAL HG21 . 52489 1 983 . 1 . 1 139 139 VAL HG22 H 1 1.012 0.000 . 1 . . . . . 139 VAL HG22 . 52489 1 984 . 1 . 1 139 139 VAL HG23 H 1 1.012 0.000 . 1 . . . . . 139 VAL HG23 . 52489 1 985 . 1 . 1 139 139 VAL C C 13 175.802 0.029 . 1 . . . . . 139 VAL C . 52489 1 986 . 1 . 1 139 139 VAL CA C 13 63.908 0.189 . 1 . . . . . 139 VAL CA . 52489 1 987 . 1 . 1 139 139 VAL CB C 13 31.736 0.034 . 1 . . . . . 139 VAL CB . 52489 1 988 . 1 . 1 139 139 VAL CG1 C 13 20.378 0.000 . 1 . . . . . 139 VAL CG1 . 52489 1 989 . 1 . 1 139 139 VAL CG2 C 13 20.378 0.000 . 1 . . . . . 139 VAL CG2 . 52489 1 990 . 1 . 1 139 139 VAL N N 15 123.278 0.080 . 1 . . . . . 139 VAL N . 52489 1 991 . 1 . 1 140 140 ASP H H 1 8.948 0.002 . 1 . . . . . 140 ASP H . 52489 1 992 . 1 . 1 140 140 ASP C C 13 176.217 0.000 . 1 . . . . . 140 ASP C . 52489 1 993 . 1 . 1 140 140 ASP CA C 13 52.927 0.115 . 1 . . . . . 140 ASP CA . 52489 1 994 . 1 . 1 140 140 ASP CB C 13 39.764 0.000 . 1 . . . . . 140 ASP CB . 52489 1 995 . 1 . 1 140 140 ASP N N 15 114.019 0.035 . 1 . . . . . 140 ASP N . 52489 1 996 . 1 . 1 141 141 ASP C C 13 176.425 0.003 . 1 . . . . . 141 ASP C . 52489 1 997 . 1 . 1 141 141 ASP CA C 13 59.629 0.167 . 1 . . . . . 141 ASP CA . 52489 1 998 . 1 . 1 141 141 ASP CB C 13 39.763 0.000 . 1 . . . . . 141 ASP CB . 52489 1 999 . 1 . 1 142 142 ASN H H 1 7.197 0.004 . 1 . . . . . 142 ASN H . 52489 1 1000 . 1 . 1 142 142 ASN HA H 1 4.827 0.000 . 1 . . . . . 142 ASN HA . 52489 1 1001 . 1 . 1 142 142 ASN HB2 H 1 2.841 0.010 . 1 . . . . . 142 ASN HB2 . 52489 1 1002 . 1 . 1 142 142 ASN HB3 H 1 2.841 0.010 . 1 . . . . . 142 ASN HB3 . 52489 1 1003 . 1 . 1 142 142 ASN C C 13 174.679 0.004 . 1 . . . . . 142 ASN C . 52489 1 1004 . 1 . 1 142 142 ASN CA C 13 51.863 0.079 . 1 . . . . . 142 ASN CA . 52489 1 1005 . 1 . 1 142 142 ASN CB C 13 40.845 0.169 . 1 . . . . . 142 ASN CB . 52489 1 1006 . 1 . 1 142 142 ASN N N 15 115.183 0.137 . 1 . . . . . 142 ASN N . 52489 1 1007 . 1 . 1 143 143 GLU H H 1 9.219 0.003 . 1 . . . . . 143 GLU H . 52489 1 1008 . 1 . 1 143 143 GLU HA H 1 3.811 0.000 . 1 . . . . . 143 GLU HA . 52489 1 1009 . 1 . 1 143 143 GLU HB2 H 1 2.151 0.000 . 1 . . . . . 143 GLU HB2 . 52489 1 1010 . 1 . 1 143 143 GLU HG2 H 1 2.324 0.000 . 1 . . . . . 143 GLU HG2 . 52489 1 1011 . 1 . 1 143 143 GLU HG3 H 1 2.324 0.000 . 1 . . . . . 143 GLU HG3 . 52489 1 1012 . 1 . 1 143 143 GLU C C 13 177.553 0.023 . 1 . . . . . 143 GLU C . 52489 1 1013 . 1 . 1 143 143 GLU CA C 13 61.479 0.295 . 1 . . . . . 143 GLU CA . 52489 1 1014 . 1 . 1 143 143 GLU CB C 13 29.738 0.000 . 1 . . . . . 143 GLU CB . 52489 1 1015 . 1 . 1 143 143 GLU CG C 13 35.691 0.000 . 1 . . . . . 143 GLU CG . 52489 1 1016 . 1 . 1 143 143 GLU N N 15 122.304 0.037 . 1 . . . . . 143 GLU N . 52489 1 1017 . 1 . 1 144 144 GLU H H 1 8.631 0.004 . 1 . . . . . 144 GLU H . 52489 1 1018 . 1 . 1 144 144 GLU C C 13 179.273 0.001 . 1 . . . . . 144 GLU C . 52489 1 1019 . 1 . 1 144 144 GLU CA C 13 59.641 0.126 . 1 . . . . . 144 GLU CA . 52489 1 1020 . 1 . 1 144 144 GLU CB C 13 29.745 0.017 . 1 . . . . . 144 GLU CB . 52489 1 1021 . 1 . 1 144 144 GLU N N 15 117.601 0.159 . 1 . . . . . 144 GLU N . 52489 1 1022 . 1 . 1 145 145 THR C C 13 177.090 0.000 . 1 . . . . . 145 THR C . 52489 1 1023 . 1 . 1 145 145 THR CA C 13 66.940 0.035 . 1 . . . . . 145 THR CA . 52489 1 1024 . 1 . 1 145 145 THR CB C 13 67.647 0.023 . 1 . . . . . 145 THR CB . 52489 1 1025 . 1 . 1 145 145 THR N N 15 118.131 0.081 . 1 . . . . . 145 THR N . 52489 1 1026 . 1 . 1 146 146 ILE H H 1 9.121 0.005 . 1 . . . . . 146 ILE H . 52489 1 1027 . 1 . 1 146 146 ILE HA H 1 3.470 0.008 . 1 . . . . . 146 ILE HA . 52489 1 1028 . 1 . 1 146 146 ILE HB H 1 1.886 0.000 . 1 . . . . . 146 ILE HB . 52489 1 1029 . 1 . 1 146 146 ILE HD11 H 1 0.922 0.000 . 1 . . . . . 146 ILE HD11 . 52489 1 1030 . 1 . 1 146 146 ILE HD12 H 1 0.922 0.000 . 1 . . . . . 146 ILE HD12 . 52489 1 1031 . 1 . 1 146 146 ILE HD13 H 1 0.922 0.000 . 1 . . . . . 146 ILE HD13 . 52489 1 1032 . 1 . 1 146 146 ILE C C 13 177.190 0.086 . 1 . . . . . 146 ILE C . 52489 1 1033 . 1 . 1 146 146 ILE CA C 13 67.585 0.149 . 1 . . . . . 146 ILE CA . 52489 1 1034 . 1 . 1 146 146 ILE CB C 13 37.792 0.004 . 1 . . . . . 146 ILE CB . 52489 1 1035 . 1 . 1 146 146 ILE CG2 C 13 17.098 0.000 . 1 . . . . . 146 ILE CG2 . 52489 1 1036 . 1 . 1 146 146 ILE N N 15 124.903 0.065 . 1 . . . . . 146 ILE N . 52489 1 1037 . 1 . 1 147 147 LYS H H 1 7.397 0.003 . 1 . . . . . 147 LYS H . 52489 1 1038 . 1 . 1 147 147 LYS HA H 1 4.078 0.000 . 1 . . . . . 147 LYS HA . 52489 1 1039 . 1 . 1 147 147 LYS HB2 H 1 2.054 0.000 . 1 . . . . . 147 LYS HB2 . 52489 1 1040 . 1 . 1 147 147 LYS HD2 H 1 1.535 0.000 . 1 . . . . . 147 LYS HD2 . 52489 1 1041 . 1 . 1 147 147 LYS C C 13 179.935 0.001 . 1 . . . . . 147 LYS C . 52489 1 1042 . 1 . 1 147 147 LYS CA C 13 60.692 0.111 . 1 . . . . . 147 LYS CA . 52489 1 1043 . 1 . 1 147 147 LYS CB C 13 31.801 0.026 . 1 . . . . . 147 LYS CB . 52489 1 1044 . 1 . 1 147 147 LYS CG C 13 25.854 0.000 . 1 . . . . . 147 LYS CG . 52489 1 1045 . 1 . 1 147 147 LYS N N 15 117.047 0.141 . 1 . . . . . 147 LYS N . 52489 1 1046 . 1 . 1 148 148 LYS H H 1 7.421 0.015 . 1 . . . . . 148 LYS H . 52489 1 1047 . 1 . 1 148 148 LYS HA H 1 4.244 0.006 . 1 . . . . . 148 LYS HA . 52489 1 1048 . 1 . 1 148 148 LYS HB2 H 1 2.081 0.000 . 1 . . . . . 148 LYS HB2 . 52489 1 1049 . 1 . 1 148 148 LYS HB3 H 1 2.081 0.000 . 1 . . . . . 148 LYS HB3 . 52489 1 1050 . 1 . 1 148 148 LYS C C 13 179.281 0.003 . 1 . . . . . 148 LYS C . 52489 1 1051 . 1 . 1 148 148 LYS CA C 13 58.626 0.201 . 1 . . . . . 148 LYS CA . 52489 1 1052 . 1 . 1 148 148 LYS CB C 13 32.632 0.133 . 1 . . . . . 148 LYS CB . 52489 1 1053 . 1 . 1 148 148 LYS CG C 13 24.754 0.000 . 1 . . . . . 148 LYS CG . 52489 1 1054 . 1 . 1 148 148 LYS N N 15 119.236 0.109 . 1 . . . . . 148 LYS N . 52489 1 1055 . 1 . 1 149 149 ARG H H 1 9.041 0.002 . 1 . . . . . 149 ARG H . 52489 1 1056 . 1 . 1 149 149 ARG C C 13 180.368 0.000 . 1 . . . . . 149 ARG C . 52489 1 1057 . 1 . 1 149 149 ARG CA C 13 59.689 0.040 . 1 . . . . . 149 ARG CA . 52489 1 1058 . 1 . 1 149 149 ARG CB C 13 30.768 0.000 . 1 . . . . . 149 ARG CB . 52489 1 1059 . 1 . 1 149 149 ARG N N 15 121.048 0.054 . 1 . . . . . 149 ARG N . 52489 1 1060 . 1 . 1 152 152 THR H H 1 8.640 0.003 . 1 . . . . . 152 THR H . 52489 1 1061 . 1 . 1 152 152 THR HA H 1 4.209 0.000 . 1 . . . . . 152 THR HA . 52489 1 1062 . 1 . 1 152 152 THR HB H 1 3.957 0.000 . 1 . . . . . 152 THR HB . 52489 1 1063 . 1 . 1 152 152 THR HG21 H 1 1.185 0.000 . 1 . . . . . 152 THR HG1 . 52489 1 1064 . 1 . 1 152 152 THR HG22 H 1 1.185 0.000 . 1 . . . . . 152 THR HG1 . 52489 1 1065 . 1 . 1 152 152 THR HG23 H 1 1.185 0.000 . 1 . . . . . 152 THR HG1 . 52489 1 1066 . 1 . 1 152 152 THR C C 13 175.769 0.000 . 1 . . . . . 152 THR C . 52489 1 1067 . 1 . 1 152 152 THR CA C 13 66.591 0.192 . 1 . . . . . 152 THR CA . 52489 1 1068 . 1 . 1 152 152 THR CB C 13 69.462 0.284 . 1 . . . . . 152 THR CB . 52489 1 1069 . 1 . 1 152 152 THR CG2 C 13 22.543 0.000 . 1 . . . . . 152 THR CG2 . 52489 1 1070 . 1 . 1 152 152 THR N N 15 117.168 0.128 . 1 . . . . . 152 THR N . 52489 1 1071 . 1 . 1 153 153 TYR H H 1 7.972 0.002 . 1 . . . . . 153 TYR H . 52489 1 1072 . 1 . 1 153 153 TYR HA H 1 4.074 0.000 . 1 . . . . . 153 TYR HA . 52489 1 1073 . 1 . 1 153 153 TYR HB2 H 1 3.110 0.000 . 1 . . . . . 153 TYR HB2 . 52489 1 1074 . 1 . 1 153 153 TYR HB3 H 1 3.110 0.000 . 1 . . . . . 153 TYR HB3 . 52489 1 1075 . 1 . 1 153 153 TYR C C 13 177.301 0.006 . 1 . . . . . 153 TYR C . 52489 1 1076 . 1 . 1 153 153 TYR CA C 13 61.700 0.085 . 1 . . . . . 153 TYR CA . 52489 1 1077 . 1 . 1 153 153 TYR CB C 13 37.774 0.022 . 1 . . . . . 153 TYR CB . 52489 1 1078 . 1 . 1 153 153 TYR N N 15 122.077 0.071 . 1 . . . . . 153 TYR N . 52489 1 1079 . 1 . 1 154 154 TYR H H 1 8.591 0.001 . 1 . . . . . 154 TYR H . 52489 1 1080 . 1 . 1 154 154 TYR HA H 1 3.904 0.005 . 1 . . . . . 154 TYR HA . 52489 1 1081 . 1 . 1 154 154 TYR HB2 H 1 3.012 0.019 . 2 . . . . . 154 TYR HB2 . 52489 1 1082 . 1 . 1 154 154 TYR HB3 H 1 3.177 0.022 . 2 . . . . . 154 TYR HB3 . 52489 1 1083 . 1 . 1 154 154 TYR C C 13 177.308 0.001 . 1 . . . . . 154 TYR C . 52489 1 1084 . 1 . 1 154 154 TYR CA C 13 63.266 0.121 . 1 . . . . . 154 TYR CA . 52489 1 1085 . 1 . 1 154 154 TYR CB C 13 37.749 0.004 . 1 . . . . . 154 TYR CB . 52489 1 1086 . 1 . 1 154 154 TYR N N 15 118.130 0.041 . 1 . . . . . 154 TYR N . 52489 1 1087 . 1 . 1 155 155 LYS H H 1 8.092 0.003 . 1 . . . . . 155 LYS H . 52489 1 1088 . 1 . 1 155 155 LYS HA H 1 4.180 0.000 . 1 . . . . . 155 LYS HA . 52489 1 1089 . 1 . 1 155 155 LYS C C 13 177.304 0.001 . 1 . . . . . 155 LYS C . 52489 1 1090 . 1 . 1 155 155 LYS CA C 13 58.772 0.174 . 1 . . . . . 155 LYS CA . 52489 1 1091 . 1 . 1 155 155 LYS CB C 13 33.777 0.025 . 1 . . . . . 155 LYS CB . 52489 1 1092 . 1 . 1 155 155 LYS N N 15 116.997 0.170 . 1 . . . . . 155 LYS N . 52489 1 1093 . 1 . 1 156 156 ALA H H 1 8.465 0.001 . 1 . . . . . 156 ALA H . 52489 1 1094 . 1 . 1 156 156 ALA HA H 1 4.506 0.005 . 1 . . . . . 156 ALA HA . 52489 1 1095 . 1 . 1 156 156 ALA HB1 H 1 1.534 0.001 . 1 . . . . . 156 ALA HB1 . 52489 1 1096 . 1 . 1 156 156 ALA HB2 H 1 1.534 0.001 . 1 . . . . . 156 ALA HB2 . 52489 1 1097 . 1 . 1 156 156 ALA HB3 H 1 1.534 0.001 . 1 . . . . . 156 ALA HB3 . 52489 1 1098 . 1 . 1 156 156 ALA C C 13 178.323 0.091 . 1 . . . . . 156 ALA C . 52489 1 1099 . 1 . 1 156 156 ALA CA C 13 53.760 0.022 . 1 . . . . . 156 ALA CA . 52489 1 1100 . 1 . 1 156 156 ALA CB C 13 20.759 0.007 . 1 . . . . . 156 ALA CB . 52489 1 1101 . 1 . 1 156 156 ALA N N 15 117.841 0.177 . 1 . . . . . 156 ALA N . 52489 1 1102 . 1 . 1 157 157 THR H H 1 7.615 0.004 . 1 . . . . . 157 THR H . 52489 1 1103 . 1 . 1 157 157 THR HA H 1 3.976 0.012 . 1 . . . . . 157 THR HA . 52489 1 1104 . 1 . 1 157 157 THR HG21 H 1 1.097 0.000 . 1 . . . . . 157 THR HG21 . 52489 1 1105 . 1 . 1 157 157 THR HG22 H 1 1.097 0.000 . 1 . . . . . 157 THR HG22 . 52489 1 1106 . 1 . 1 157 157 THR HG23 H 1 1.097 0.000 . 1 . . . . . 157 THR HG23 . 52489 1 1107 . 1 . 1 157 157 THR C C 13 175.479 0.071 . 1 . . . . . 157 THR C . 52489 1 1108 . 1 . 1 157 157 THR CA C 13 64.777 0.055 . 1 . . . . . 157 THR CA . 52489 1 1109 . 1 . 1 157 157 THR CB C 13 67.734 0.001 . 1 . . . . . 157 THR CB . 52489 1 1110 . 1 . 1 157 157 THR CG2 C 13 24.769 0.000 . 1 . . . . . 157 THR CG2 . 52489 1 1111 . 1 . 1 157 157 THR N N 15 115.079 0.021 . 1 . . . . . 157 THR N . 52489 1 1112 . 1 . 1 158 158 GLU H H 1 7.725 0.003 . 1 . . . . . 158 GLU H . 52489 1 1113 . 1 . 1 158 158 GLU C C 13 176.421 0.000 . 1 . . . . . 158 GLU C . 52489 1 1114 . 1 . 1 158 158 GLU CB C 13 26.775 0.000 . 1 . . . . . 158 GLU CB . 52489 1 1115 . 1 . 1 158 158 GLU N N 15 123.154 0.144 . 1 . . . . . 158 GLU N . 52489 1 1116 . 1 . 1 160 160 VAL HA H 1 3.535 0.000 . 1 . . . . . 160 VAL HA . 52489 1 1117 . 1 . 1 160 160 VAL HB H 1 2.289 0.000 . 1 . . . . . 160 VAL HB . 52489 1 1118 . 1 . 1 160 160 VAL C C 13 176.862 0.006 . 1 . . . . . 160 VAL C . 52489 1 1119 . 1 . 1 160 160 VAL CA C 13 65.560 0.194 . 1 . . . . . 160 VAL CA . 52489 1 1120 . 1 . 1 160 160 VAL CB C 13 31.752 0.011 . 1 . . . . . 160 VAL CB . 52489 1 1121 . 1 . 1 160 160 VAL CG1 C 13 22.034 0.000 . 1 . . . . . 160 VAL CG1 . 52489 1 1122 . 1 . 1 160 160 VAL CG2 C 13 22.034 0.000 . 1 . . . . . 160 VAL CG2 . 52489 1 1123 . 1 . 1 161 161 ILE H H 1 7.563 0.003 . 1 . . . . . 161 ILE H . 52489 1 1124 . 1 . 1 161 161 ILE HA H 1 3.471 0.007 . 1 . . . . . 161 ILE HA . 52489 1 1125 . 1 . 1 161 161 ILE HB H 1 1.967 0.006 . 1 . . . . . 161 ILE HB . 52489 1 1126 . 1 . 1 161 161 ILE HD11 H 1 0.500 0.000 . 1 . . . . . 161 ILE HD11 . 52489 1 1127 . 1 . 1 161 161 ILE HD12 H 1 0.500 0.000 . 1 . . . . . 161 ILE HD12 . 52489 1 1128 . 1 . 1 161 161 ILE HD13 H 1 0.500 0.000 . 1 . . . . . 161 ILE HD13 . 52489 1 1129 . 1 . 1 161 161 ILE C C 13 177.744 0.002 . 1 . . . . . 161 ILE C . 52489 1 1130 . 1 . 1 161 161 ILE CA C 13 63.522 0.255 . 1 . . . . . 161 ILE CA . 52489 1 1131 . 1 . 1 161 161 ILE CB C 13 34.709 0.053 . 1 . . . . . 161 ILE CB . 52489 1 1132 . 1 . 1 161 161 ILE CG2 C 13 18.172 0.000 . 1 . . . . . 161 ILE CG2 . 52489 1 1133 . 1 . 1 161 161 ILE N N 15 119.523 0.025 . 1 . . . . . 161 ILE N . 52489 1 1134 . 1 . 1 162 162 ALA H H 1 7.312 0.001 . 1 . . . . . 162 ALA H . 52489 1 1135 . 1 . 1 162 162 ALA HA H 1 4.145 0.015 . 1 . . . . . 162 ALA HA . 52489 1 1136 . 1 . 1 162 162 ALA HB1 H 1 1.438 0.011 . 1 . . . . . 162 ALA HB1 . 52489 1 1137 . 1 . 1 162 162 ALA HB2 H 1 1.438 0.011 . 1 . . . . . 162 ALA HB2 . 52489 1 1138 . 1 . 1 162 162 ALA HB3 H 1 1.438 0.011 . 1 . . . . . 162 ALA HB3 . 52489 1 1139 . 1 . 1 162 162 ALA C C 13 179.931 0.001 . 1 . . . . . 162 ALA C . 52489 1 1140 . 1 . 1 162 162 ALA CA C 13 54.844 0.106 . 1 . . . . . 162 ALA CA . 52489 1 1141 . 1 . 1 162 162 ALA CB C 13 17.759 0.004 . 1 . . . . . 162 ALA CB . 52489 1 1142 . 1 . 1 162 162 ALA N N 15 120.525 0.112 . 1 . . . . . 162 ALA N . 52489 1 1143 . 1 . 1 163 163 PHE H H 1 7.509 0.003 . 1 . . . . . 163 PHE H . 52489 1 1144 . 1 . 1 163 163 PHE C C 13 177.742 0.000 . 1 . . . . . 163 PHE C . 52489 1 1145 . 1 . 1 163 163 PHE CA C 13 61.603 0.217 . 1 . . . . . 163 PHE CA . 52489 1 1146 . 1 . 1 163 163 PHE CB C 13 39.743 0.000 . 1 . . . . . 163 PHE CB . 52489 1 1147 . 1 . 1 163 163 PHE N N 15 117.974 0.039 . 1 . . . . . 163 PHE N . 52489 1 1148 . 1 . 1 164 164 TYR H H 1 8.401 0.014 . 1 . . . . . 164 TYR H . 52489 1 1149 . 1 . 1 164 164 TYR HA H 1 4.196 0.007 . 1 . . . . . 164 TYR HA . 52489 1 1150 . 1 . 1 164 164 TYR HB2 H 1 2.599 0.013 . 1 . . . . . 164 TYR HB2 . 52489 1 1151 . 1 . 1 164 164 TYR HB3 H 1 2.599 0.013 . 1 . . . . . 164 TYR HB3 . 52489 1 1152 . 1 . 1 164 164 TYR C C 13 178.834 0.001 . 1 . . . . . 164 TYR C . 52489 1 1153 . 1 . 1 164 164 TYR CA C 13 62.697 0.296 . 1 . . . . . 164 TYR CA . 52489 1 1154 . 1 . 1 164 164 TYR CB C 13 38.821 0.101 . 1 . . . . . 164 TYR CB . 52489 1 1155 . 1 . 1 164 164 TYR N N 15 116.771 0.794 . 1 . . . . . 164 TYR N . 52489 1 1156 . 1 . 1 165 165 GLU H H 1 9.138 0.003 . 1 . . . . . 165 GLU H . 52489 1 1157 . 1 . 1 165 165 GLU HA H 1 4.144 0.016 . 1 . . . . . 165 GLU HA . 52489 1 1158 . 1 . 1 165 165 GLU HB2 H 1 2.265 0.011 . 2 . . . . . 165 GLU HB2 . 52489 1 1159 . 1 . 1 165 165 GLU HB3 H 1 2.068 0.005 . 2 . . . . . 165 GLU HB3 . 52489 1 1160 . 1 . 1 165 165 GLU HG2 H 1 2.409 0.000 . 1 . . . . . 165 GLU HG2 . 52489 1 1161 . 1 . 1 165 165 GLU HG3 H 1 2.409 0.000 . 1 . . . . . 165 GLU HG3 . 52489 1 1162 . 1 . 1 165 165 GLU C C 13 180.700 0.096 . 1 . . . . . 165 GLU C . 52489 1 1163 . 1 . 1 165 165 GLU CA C 13 59.629 0.144 . 1 . . . . . 165 GLU CA . 52489 1 1164 . 1 . 1 165 165 GLU CB C 13 29.505 0.227 . 1 . . . . . 165 GLU CB . 52489 1 1165 . 1 . 1 165 165 GLU CG C 13 36.689 0.000 . 1 . . . . . 165 GLU CG . 52489 1 1166 . 1 . 1 165 165 GLU N N 15 126.229 0.079 . 1 . . . . . 165 GLU N . 52489 1 1167 . 1 . 1 166 166 LYS H H 1 7.207 0.003 . 1 . . . . . 166 LYS H . 52489 1 1168 . 1 . 1 166 166 LYS HA H 1 4.123 0.000 . 1 . . . . . 166 LYS HA . 52489 1 1169 . 1 . 1 166 166 LYS HB2 H 1 1.853 0.000 . 2 . . . . . 166 LYS HB2 . 52489 1 1170 . 1 . 1 166 166 LYS HB3 H 1 1.752 0.000 . 2 . . . . . 166 LYS HB3 . 52489 1 1171 . 1 . 1 166 166 LYS C C 13 177.525 0.000 . 1 . . . . . 166 LYS C . 52489 1 1172 . 1 . 1 166 166 LYS CA C 13 58.646 0.121 . 1 . . . . . 166 LYS CA . 52489 1 1173 . 1 . 1 166 166 LYS CB C 13 31.771 0.003 . 1 . . . . . 166 LYS CB . 52489 1 1174 . 1 . 1 166 166 LYS N N 15 117.438 0.257 . 1 . . . . . 166 LYS N . 52489 1 1175 . 1 . 1 167 167 ARG H H 1 7.166 0.003 . 1 . . . . . 167 ARG H . 52489 1 1176 . 1 . 1 167 167 ARG HA H 1 4.407 0.011 . 1 . . . . . 167 ARG HA . 52489 1 1177 . 1 . 1 167 167 ARG HB2 H 1 2.195 0.000 . 1 . . . . . 167 ARG HB2 . 52489 1 1178 . 1 . 1 167 167 ARG HB3 H 1 2.195 0.000 . 1 . . . . . 167 ARG HB3 . 52489 1 1179 . 1 . 1 167 167 ARG HG2 H 1 2.232 0.000 . 1 . . . . . 167 ARG HG2 . 52489 1 1180 . 1 . 1 167 167 ARG HG3 H 1 2.232 0.000 . 1 . . . . . 167 ARG HG3 . 52489 1 1181 . 1 . 1 167 167 ARG C C 13 177.339 0.019 . 1 . . . . . 167 ARG C . 52489 1 1182 . 1 . 1 167 167 ARG CA C 13 55.610 0.126 . 1 . . . . . 167 ARG CA . 52489 1 1183 . 1 . 1 167 167 ARG CB C 13 31.602 0.174 . 1 . . . . . 167 ARG CB . 52489 1 1184 . 1 . 1 167 167 ARG CG C 13 26.943 0.000 . 1 . . . . . 167 ARG CG . 52489 1 1185 . 1 . 1 167 167 ARG N N 15 115.353 0.018 . 1 . . . . . 167 ARG N . 52489 1 1186 . 1 . 1 168 168 GLY H H 1 7.850 0.003 . 1 . . . . . 168 GLY H . 52489 1 1187 . 1 . 1 168 168 GLY HA2 H 1 4.075 0.000 . 2 . . . . . 168 GLY HA2 . 52489 1 1188 . 1 . 1 168 168 GLY HA3 H 1 4.249 0.000 . 2 . . . . . 168 GLY HA3 . 52489 1 1189 . 1 . 1 168 168 GLY C C 13 176.426 0.001 . 1 . . . . . 168 GLY C . 52489 1 1190 . 1 . 1 168 168 GLY CA C 13 46.626 0.158 . 1 . . . . . 168 GLY CA . 52489 1 1191 . 1 . 1 168 168 GLY N N 15 105.984 0.246 . 1 . . . . . 168 GLY N . 52489 1 1192 . 1 . 1 169 169 ILE H H 1 6.593 0.002 . 1 . . . . . 169 ILE H . 52489 1 1193 . 1 . 1 169 169 ILE C C 13 174.475 0.000 . 1 . . . . . 169 ILE C . 52489 1 1194 . 1 . 1 169 169 ILE CA C 13 61.725 0.035 . 1 . . . . . 169 ILE CA . 52489 1 1195 . 1 . 1 169 169 ILE CB C 13 39.749 0.000 . 1 . . . . . 169 ILE CB . 52489 1 1196 . 1 . 1 169 169 ILE N N 15 107.650 0.227 . 1 . . . . . 169 ILE N . 52489 1 1197 . 1 . 1 170 170 VAL C C 13 177.087 0.001 . 1 . . . . . 170 VAL C . 52489 1 1198 . 1 . 1 170 170 VAL CA C 13 63.438 0.299 . 1 . . . . . 170 VAL CA . 52489 1 1199 . 1 . 1 170 170 VAL CB C 13 31.764 0.018 . 1 . . . . . 170 VAL CB . 52489 1 1200 . 1 . 1 170 170 VAL CG1 C 13 21.464 0.000 . 1 . . . . . 170 VAL CG1 . 52489 1 1201 . 1 . 1 170 170 VAL CG2 C 13 21.464 0.000 . 1 . . . . . 170 VAL CG2 . 52489 1 1202 . 1 . 1 171 171 ARG H H 1 9.039 0.003 . 1 . . . . . 171 ARG H . 52489 1 1203 . 1 . 1 171 171 ARG C C 13 173.764 0.037 . 1 . . . . . 171 ARG C . 52489 1 1204 . 1 . 1 171 171 ARG CA C 13 52.616 0.120 . 1 . . . . . 171 ARG CA . 52489 1 1205 . 1 . 1 171 171 ARG CB C 13 28.749 0.022 . 1 . . . . . 171 ARG CB . 52489 1 1206 . 1 . 1 171 171 ARG N N 15 129.324 0.020 . 1 . . . . . 171 ARG N . 52489 1 1207 . 1 . 1 172 172 LYS H H 1 8.894 0.002 . 1 . . . . . 172 LYS H . 52489 1 1208 . 1 . 1 172 172 LYS HA H 1 5.010 0.020 . 1 . . . . . 172 LYS HA . 52489 1 1209 . 1 . 1 172 172 LYS HB2 H 1 1.907 0.000 . 1 . . . . . 172 LYS HB2 . 52489 1 1210 . 1 . 1 172 172 LYS HB3 H 1 1.907 0.000 . 1 . . . . . 172 LYS HB3 . 52489 1 1211 . 1 . 1 172 172 LYS HG2 H 1 1.272 0.000 . 1 . . . . . 172 LYS HG2 . 52489 1 1212 . 1 . 1 172 172 LYS HG3 H 1 1.272 0.000 . 1 . . . . . 172 LYS HG3 . 52489 1 1213 . 1 . 1 172 172 LYS HD2 H 1 1.852 0.000 . 1 . . . . . 172 LYS HD2 . 52489 1 1214 . 1 . 1 172 172 LYS HD3 H 1 1.852 0.000 . 1 . . . . . 172 LYS HD3 . 52489 1 1215 . 1 . 1 172 172 LYS C C 13 176.213 0.000 . 1 . . . . . 172 LYS C . 52489 1 1216 . 1 . 1 172 172 LYS CA C 13 56.628 0.116 . 1 . . . . . 172 LYS CA . 52489 1 1217 . 1 . 1 172 172 LYS CB C 13 33.797 0.024 . 1 . . . . . 172 LYS CB . 52489 1 1218 . 1 . 1 172 172 LYS CG C 13 25.838 0.000 . 1 . . . . . 172 LYS CG . 52489 1 1219 . 1 . 1 172 172 LYS N N 15 125.929 0.124 . 1 . . . . . 172 LYS N . 52489 1 1220 . 1 . 1 173 173 VAL H H 1 9.125 0.004 . 1 . . . . . 173 VAL H . 52489 1 1221 . 1 . 1 173 173 VAL HA H 1 4.424 0.000 . 1 . . . . . 173 VAL HA . 52489 1 1222 . 1 . 1 173 173 VAL HB H 1 1.975 0.000 . 1 . . . . . 173 VAL HB . 52489 1 1223 . 1 . 1 173 173 VAL HG11 H 1 0.836 0.000 . 1 . . . . . 173 VAL HG11 . 52489 1 1224 . 1 . 1 173 173 VAL HG12 H 1 0.836 0.000 . 1 . . . . . 173 VAL HG12 . 52489 1 1225 . 1 . 1 173 173 VAL HG13 H 1 0.836 0.000 . 1 . . . . . 173 VAL HG13 . 52489 1 1226 . 1 . 1 173 173 VAL HG21 H 1 0.836 0.000 . 1 . . . . . 173 VAL HG21 . 52489 1 1227 . 1 . 1 173 173 VAL HG22 H 1 0.836 0.000 . 1 . . . . . 173 VAL HG22 . 52489 1 1228 . 1 . 1 173 173 VAL HG23 H 1 0.836 0.000 . 1 . . . . . 173 VAL HG23 . 52489 1 1229 . 1 . 1 173 173 VAL C C 13 173.581 0.002 . 1 . . . . . 173 VAL C . 52489 1 1230 . 1 . 1 173 173 VAL CA C 13 59.804 0.066 . 1 . . . . . 173 VAL CA . 52489 1 1231 . 1 . 1 173 173 VAL CB C 13 34.717 0.058 . 1 . . . . . 173 VAL CB . 52489 1 1232 . 1 . 1 173 173 VAL CG1 C 13 22.564 0.000 . 2 . . . . . 173 VAL CG1 . 52489 1 1233 . 1 . 1 173 173 VAL CG2 C 13 20.359 0.000 . 2 . . . . . 173 VAL CG2 . 52489 1 1234 . 1 . 1 173 173 VAL N N 15 123.995 0.083 . 1 . . . . . 173 VAL N . 52489 1 1235 . 1 . 1 174 174 ASN H H 1 8.948 0.002 . 1 . . . . . 174 ASN H . 52489 1 1236 . 1 . 1 174 174 ASN C C 13 175.775 0.002 . 1 . . . . . 174 ASN C . 52489 1 1237 . 1 . 1 174 174 ASN CA C 13 53.654 0.107 . 1 . . . . . 174 ASN CA . 52489 1 1238 . 1 . 1 174 174 ASN CB C 13 37.771 0.009 . 1 . . . . . 174 ASN CB . 52489 1 1239 . 1 . 1 174 174 ASN N N 15 124.324 0.060 . 1 . . . . . 174 ASN N . 52489 1 1240 . 1 . 1 175 175 ALA H H 1 8.606 0.004 . 1 . . . . . 175 ALA H . 52489 1 1241 . 1 . 1 175 175 ALA HA H 1 4.511 0.000 . 1 . . . . . 175 ALA HA . 52489 1 1242 . 1 . 1 175 175 ALA HB1 H 1 1.317 0.000 . 1 . . . . . 175 ALA HB1 . 52489 1 1243 . 1 . 1 175 175 ALA HB2 H 1 1.317 0.000 . 1 . . . . . 175 ALA HB2 . 52489 1 1244 . 1 . 1 175 175 ALA HB3 H 1 1.317 0.000 . 1 . . . . . 175 ALA HB3 . 52489 1 1245 . 1 . 1 175 175 ALA C C 13 177.734 0.008 . 1 . . . . . 175 ALA C . 52489 1 1246 . 1 . 1 175 175 ALA CA C 13 51.728 0.019 . 1 . . . . . 175 ALA CA . 52489 1 1247 . 1 . 1 175 175 ALA CB C 13 20.759 0.006 . 1 . . . . . 175 ALA CB . 52489 1 1248 . 1 . 1 175 175 ALA N N 15 128.494 0.099 . 1 . . . . . 175 ALA N . 52489 1 1249 . 1 . 1 176 176 GLU H H 1 8.083 0.002 . 1 . . . . . 176 GLU H . 52489 1 1250 . 1 . 1 176 176 GLU HA H 1 4.032 0.014 . 1 . . . . . 176 GLU HA . 52489 1 1251 . 1 . 1 176 176 GLU HB2 H 1 2.096 0.003 . 1 . . . . . 176 GLU HB2 . 52489 1 1252 . 1 . 1 176 176 GLU HB3 H 1 2.096 0.003 . 1 . . . . . 176 GLU HB3 . 52489 1 1253 . 1 . 1 176 176 GLU HG2 H 1 2.235 0.000 . 2 . . . . . 176 GLU HG2 . 52489 1 1254 . 1 . 1 176 176 GLU HG3 H 1 2.498 0.000 . 2 . . . . . 176 GLU HG3 . 52489 1 1255 . 1 . 1 176 176 GLU C C 13 176.218 0.004 . 1 . . . . . 176 GLU C . 52489 1 1256 . 1 . 1 176 176 GLU CA C 13 57.658 0.088 . 1 . . . . . 176 GLU CA . 52489 1 1257 . 1 . 1 176 176 GLU CB C 13 29.602 0.260 . 1 . . . . . 176 GLU CB . 52489 1 1258 . 1 . 1 176 176 GLU CG C 13 36.802 0.000 . 1 . . . . . 176 GLU CG . 52489 1 1259 . 1 . 1 176 176 GLU N N 15 118.642 0.184 . 1 . . . . . 176 GLU N . 52489 1 1260 . 1 . 1 177 177 GLY H H 1 7.679 0.001 . 1 . . . . . 177 GLY H . 52489 1 1261 . 1 . 1 177 177 GLY C C 13 172.054 0.000 . 1 . . . . . 177 GLY C . 52489 1 1262 . 1 . 1 177 177 GLY CA C 13 43.966 0.205 . 1 . . . . . 177 GLY CA . 52489 1 1263 . 1 . 1 177 177 GLY N N 15 107.149 0.100 . 1 . . . . . 177 GLY N . 52489 1 1264 . 1 . 1 178 178 SER H H 1 8.473 0.001 . 1 . . . . . 178 SER H . 52489 1 1265 . 1 . 1 178 178 SER HA H 1 4.420 0.000 . 1 . . . . . 178 SER HA . 52489 1 1266 . 1 . 1 178 178 SER HB2 H 1 3.908 0.000 . 1 . . . . . 178 SER HB2 . 52489 1 1267 . 1 . 1 178 178 SER HB3 H 1 3.908 0.000 . 1 . . . . . 178 SER HB3 . 52489 1 1268 . 1 . 1 178 178 SER C C 13 174.898 0.001 . 1 . . . . . 178 SER C . 52489 1 1269 . 1 . 1 178 178 SER CA C 13 57.698 0.053 . 1 . . . . . 178 SER CA . 52489 1 1270 . 1 . 1 178 178 SER CB C 13 64.746 0.010 . 1 . . . . . 178 SER CB . 52489 1 1271 . 1 . 1 178 178 SER N N 15 114.042 0.092 . 1 . . . . . 178 SER N . 52489 1 1272 . 1 . 1 179 179 VAL H H 1 8.762 0.003 . 1 . . . . . 179 VAL H . 52489 1 1273 . 1 . 1 179 179 VAL HA H 1 3.468 0.011 . 1 . . . . . 179 VAL HA . 52489 1 1274 . 1 . 1 179 179 VAL HB H 1 1.754 0.000 . 1 . . . . . 179 VAL HB . 52489 1 1275 . 1 . 1 179 179 VAL HG11 H 1 0.595 0.000 . 1 . . . . . 179 VAL HG11 . 52489 1 1276 . 1 . 1 179 179 VAL HG12 H 1 0.595 0.000 . 1 . . . . . 179 VAL HG12 . 52489 1 1277 . 1 . 1 179 179 VAL HG13 H 1 0.595 0.000 . 1 . . . . . 179 VAL HG13 . 52489 1 1278 . 1 . 1 179 179 VAL HG21 H 1 0.595 0.000 . 1 . . . . . 179 VAL HG21 . 52489 1 1279 . 1 . 1 179 179 VAL HG22 H 1 0.595 0.000 . 1 . . . . . 179 VAL HG22 . 52489 1 1280 . 1 . 1 179 179 VAL HG23 H 1 0.595 0.000 . 1 . . . . . 179 VAL HG23 . 52489 1 1281 . 1 . 1 179 179 VAL C C 13 178.916 0.076 . 1 . . . . . 179 VAL C . 52489 1 1282 . 1 . 1 179 179 VAL CA C 13 67.355 0.201 . 1 . . . . . 179 VAL CA . 52489 1 1283 . 1 . 1 179 179 VAL CB C 13 31.649 0.180 . 1 . . . . . 179 VAL CB . 52489 1 1284 . 1 . 1 179 179 VAL CG1 C 13 21.443 0.000 . 1 . . . . . 179 VAL CG1 . 52489 1 1285 . 1 . 1 179 179 VAL CG2 C 13 21.443 0.000 . 1 . . . . . 179 VAL CG2 . 52489 1 1286 . 1 . 1 179 179 VAL N N 15 121.280 0.185 . 1 . . . . . 179 VAL N . 52489 1 1287 . 1 . 1 180 180 ASP H H 1 8.330 0.003 . 1 . . . . . 180 ASP H . 52489 1 1288 . 1 . 1 180 180 ASP HA H 1 4.601 0.000 . 1 . . . . . 180 ASP HA . 52489 1 1289 . 1 . 1 180 180 ASP HB2 H 1 2.720 0.000 . 2 . . . . . 180 ASP HB2 . 52489 1 1290 . 1 . 1 180 180 ASP HB3 H 1 2.541 0.000 . 2 . . . . . 180 ASP HB3 . 52489 1 1291 . 1 . 1 180 180 ASP C C 13 178.763 0.063 . 1 . . . . . 180 ASP C . 52489 1 1292 . 1 . 1 180 180 ASP CA C 13 57.664 0.096 . 1 . . . . . 180 ASP CA . 52489 1 1293 . 1 . 1 180 180 ASP CB C 13 40.757 0.009 . 1 . . . . . 180 ASP CB . 52489 1 1294 . 1 . 1 180 180 ASP N N 15 117.165 0.179 . 1 . . . . . 180 ASP N . 52489 1 1295 . 1 . 1 181 181 SER H H 1 8.134 0.002 . 1 . . . . . 181 SER H . 52489 1 1296 . 1 . 1 181 181 SER HA H 1 4.071 0.000 . 1 . . . . . 181 SER HA . 52489 1 1297 . 1 . 1 181 181 SER HB2 H 1 3.912 0.000 . 1 . . . . . 181 SER HB2 . 52489 1 1298 . 1 . 1 181 181 SER HB3 H 1 3.912 0.000 . 1 . . . . . 181 SER HB3 . 52489 1 1299 . 1 . 1 181 181 SER C C 13 178.180 0.000 . 1 . . . . . 181 SER C . 52489 1 1300 . 1 . 1 181 181 SER CA C 13 61.709 0.007 . 1 . . . . . 181 SER CA . 52489 1 1301 . 1 . 1 181 181 SER CB C 13 62.830 0.127 . 1 . . . . . 181 SER CB . 52489 1 1302 . 1 . 1 181 181 SER N N 15 119.778 0.255 . 1 . . . . . 181 SER N . 52489 1 1303 . 1 . 1 182 182 VAL H H 1 8.487 0.003 . 1 . . . . . 182 VAL H . 52489 1 1304 . 1 . 1 182 182 VAL C C 13 178.508 0.092 . 1 . . . . . 182 VAL C . 52489 1 1305 . 1 . 1 182 182 VAL CA C 13 66.625 0.147 . 1 . . . . . 182 VAL CA . 52489 1 1306 . 1 . 1 182 182 VAL CB C 13 32.741 0.000 . 1 . . . . . 182 VAL CB . 52489 1 1307 . 1 . 1 182 182 VAL CG1 C 13 21.507 0.000 . 1 . . . . . 182 VAL CG1 . 52489 1 1308 . 1 . 1 182 182 VAL CG2 C 13 21.507 0.000 . 1 . . . . . 182 VAL CG2 . 52489 1 1309 . 1 . 1 182 182 VAL N N 15 125.387 0.161 . 1 . . . . . 182 VAL N . 52489 1 1310 . 1 . 1 183 183 PHE H H 1 8.500 0.003 . 1 . . . . . 183 PHE H . 52489 1 1311 . 1 . 1 183 183 PHE HA H 1 4.799 0.000 . 1 . . . . . 183 PHE HA . 52489 1 1312 . 1 . 1 183 183 PHE C C 13 178.620 0.000 . 1 . . . . . 183 PHE C . 52489 1 1313 . 1 . 1 183 183 PHE CA C 13 60.805 0.061 . 1 . . . . . 183 PHE CA . 52489 1 1314 . 1 . 1 183 183 PHE CB C 13 38.748 0.007 . 1 . . . . . 183 PHE CB . 52489 1 1315 . 1 . 1 183 183 PHE N N 15 120.952 0.075 . 1 . . . . . 183 PHE N . 52489 1 1316 . 1 . 1 184 184 SER H H 1 8.292 0.003 . 1 . . . . . 184 SER H . 52489 1 1317 . 1 . 1 184 184 SER HA H 1 4.018 0.000 . 1 . . . . . 184 SER HA . 52489 1 1318 . 1 . 1 184 184 SER HB2 H 1 3.988 0.000 . 1 . . . . . 184 SER HB2 . 52489 1 1319 . 1 . 1 184 184 SER HB3 H 1 3.988 0.000 . 1 . . . . . 184 SER HB3 . 52489 1 1320 . 1 . 1 184 184 SER C C 13 177.302 0.000 . 1 . . . . . 184 SER C . 52489 1 1321 . 1 . 1 184 184 SER CA C 13 62.576 0.141 . 1 . . . . . 184 SER CA . 52489 1 1322 . 1 . 1 184 184 SER CB C 13 62.740 0.003 . 1 . . . . . 184 SER CB . 52489 1 1323 . 1 . 1 184 184 SER N N 15 115.206 0.045 . 1 . . . . . 184 SER N . 52489 1 1324 . 1 . 1 185 185 GLN H H 1 7.210 0.004 . 1 . . . . . 185 GLN H . 52489 1 1325 . 1 . 1 185 185 GLN C C 13 178.416 0.002 . 1 . . . . . 185 GLN C . 52489 1 1326 . 1 . 1 185 185 GLN CA C 13 58.716 0.071 . 1 . . . . . 185 GLN CA . 52489 1 1327 . 1 . 1 185 185 GLN CB C 13 30.578 0.230 . 1 . . . . . 185 GLN CB . 52489 1 1328 . 1 . 1 185 185 GLN CG C 13 34.608 0.000 . 1 . . . . . 185 GLN CG . 52489 1 1329 . 1 . 1 185 185 GLN N N 15 119.584 0.049 . 1 . . . . . 185 GLN N . 52489 1 1330 . 1 . 1 186 186 VAL H H 1 8.014 0.004 . 1 . . . . . 186 VAL H . 52489 1 1331 . 1 . 1 186 186 VAL C C 13 178.163 0.008 . 1 . . . . . 186 VAL C . 52489 1 1332 . 1 . 1 186 186 VAL CA C 13 67.589 0.183 . 1 . . . . . 186 VAL CA . 52489 1 1333 . 1 . 1 186 186 VAL CB C 13 31.751 0.005 . 1 . . . . . 186 VAL CB . 52489 1 1334 . 1 . 1 186 186 VAL N N 15 120.493 0.108 . 1 . . . . . 186 VAL N . 52489 1 1335 . 1 . 1 187 187 CYS H H 1 8.244 0.003 . 1 . . . . . 187 CYS H . 52489 1 1336 . 1 . 1 187 187 CYS HA H 1 4.072 0.002 . 1 . . . . . 187 CYS HA . 52489 1 1337 . 1 . 1 187 187 CYS HB2 H 1 2.669 0.000 . 1 . . . . . 187 CYS HB2 . 52489 1 1338 . 1 . 1 187 187 CYS HB3 H 1 2.669 0.000 . 1 . . . . . 187 CYS HB3 . 52489 1 1339 . 1 . 1 187 187 CYS C C 13 176.209 0.307 . 1 . . . . . 187 CYS C . 52489 1 1340 . 1 . 1 187 187 CYS CA C 13 63.573 0.195 . 1 . . . . . 187 CYS CA . 52489 1 1341 . 1 . 1 187 187 CYS CB C 13 26.757 0.013 . 1 . . . . . 187 CYS CB . 52489 1 1342 . 1 . 1 187 187 CYS N N 15 116.452 0.335 . 1 . . . . . 187 CYS N . 52489 1 1343 . 1 . 1 188 188 THR H H 1 7.305 0.002 . 1 . . . . . 188 THR H . 52489 1 1344 . 1 . 1 188 188 THR HA H 1 3.898 0.000 . 1 . . . . . 188 THR HA . 52489 1 1345 . 1 . 1 188 188 THR HB H 1 3.858 0.000 . 1 . . . . . 188 THR HB . 52489 1 1346 . 1 . 1 188 188 THR HG21 H 1 1.098 0.000 . 1 . . . . . 188 THR HG21 . 52489 1 1347 . 1 . 1 188 188 THR HG22 H 1 1.098 0.000 . 1 . . . . . 188 THR HG22 . 52489 1 1348 . 1 . 1 188 188 THR HG23 H 1 1.098 0.000 . 1 . . . . . 188 THR HG23 . 52489 1 1349 . 1 . 1 188 188 THR C C 13 176.645 0.000 . 1 . . . . . 188 THR C . 52489 1 1350 . 1 . 1 188 188 THR CA C 13 66.592 0.144 . 1 . . . . . 188 THR CA . 52489 1 1351 . 1 . 1 188 188 THR CB C 13 68.694 0.072 . 1 . . . . . 188 THR CB . 52489 1 1352 . 1 . 1 188 188 THR CG2 C 13 21.489 0.000 . 1 . . . . . 188 THR CG2 . 52489 1 1353 . 1 . 1 188 188 THR N N 15 114.954 0.104 . 1 . . . . . 188 THR N . 52489 1 1354 . 1 . 1 189 189 HIS H H 1 6.875 0.002 . 1 . . . . . 189 HIS H . 52489 1 1355 . 1 . 1 189 189 HIS HA H 1 4.721 0.000 . 1 . . . . . 189 HIS HA . 52489 1 1356 . 1 . 1 189 189 HIS HB2 H 1 2.721 0.000 . 1 . . . . . 189 HIS HB2 . 52489 1 1357 . 1 . 1 189 189 HIS HB3 H 1 2.721 0.000 . 1 . . . . . 189 HIS HB3 . 52489 1 1358 . 1 . 1 189 189 HIS C C 13 178.626 0.005 . 1 . . . . . 189 HIS C . 52489 1 1359 . 1 . 1 189 189 HIS CA C 13 57.753 0.024 . 1 . . . . . 189 HIS CA . 52489 1 1360 . 1 . 1 189 189 HIS CB C 13 30.680 0.115 . 1 . . . . . 189 HIS CB . 52489 1 1361 . 1 . 1 189 189 HIS N N 15 117.812 0.111 . 1 . . . . . 189 HIS N . 52489 1 1362 . 1 . 1 190 190 LEU H H 1 8.175 0.001 . 1 . . . . . 190 LEU H . 52489 1 1363 . 1 . 1 190 190 LEU HA H 1 3.976 0.012 . 1 . . . . . 190 LEU HA . 52489 1 1364 . 1 . 1 190 190 LEU HB2 H 1 1.528 0.000 . 1 . . . . . 190 LEU HB2 . 52489 1 1365 . 1 . 1 190 190 LEU HB3 H 1 1.528 0.000 . 1 . . . . . 190 LEU HB3 . 52489 1 1366 . 1 . 1 190 190 LEU HD11 H 1 0.839 0.000 . 2 . . . . . 190 LEU HD11 . 52489 1 1367 . 1 . 1 190 190 LEU HD12 H 1 0.839 0.000 . 2 . . . . . 190 LEU HD12 . 52489 1 1368 . 1 . 1 190 190 LEU HD13 H 1 0.839 0.000 . 2 . . . . . 190 LEU HD13 . 52489 1 1369 . 1 . 1 190 190 LEU HD21 H 1 0.489 0.000 . 2 . . . . . 190 LEU HD21 . 52489 1 1370 . 1 . 1 190 190 LEU HD22 H 1 0.489 0.000 . 2 . . . . . 190 LEU HD22 . 52489 1 1371 . 1 . 1 190 190 LEU HD23 H 1 0.489 0.000 . 2 . . . . . 190 LEU HD23 . 52489 1 1372 . 1 . 1 190 190 LEU C C 13 180.150 0.001 . 1 . . . . . 190 LEU C . 52489 1 1373 . 1 . 1 190 190 LEU CA C 13 57.575 0.193 . 1 . . . . . 190 LEU CA . 52489 1 1374 . 1 . 1 190 190 LEU CB C 13 39.871 0.161 . 1 . . . . . 190 LEU CB . 52489 1 1375 . 1 . 1 190 190 LEU CG C 13 26.944 0.000 . 1 . . . . . 190 LEU CG . 52489 1 1376 . 1 . 1 190 190 LEU N N 15 119.457 0.009 . 1 . . . . . 190 LEU N . 52489 1 1377 . 1 . 1 191 191 ASP H H 1 9.003 0.002 . 1 . . . . . 191 ASP H . 52489 1 1378 . 1 . 1 191 191 ASP HA H 1 4.606 0.006 . 1 . . . . . 191 ASP HA . 52489 1 1379 . 1 . 1 191 191 ASP HB2 H 1 2.705 0.010 . 1 . . . . . 191 ASP HB2 . 52489 1 1380 . 1 . 1 191 191 ASP HB3 H 1 2.705 0.010 . 1 . . . . . 191 ASP HB3 . 52489 1 1381 . 1 . 1 191 191 ASP C C 13 177.233 0.082 . 1 . . . . . 191 ASP C . 52489 1 1382 . 1 . 1 191 191 ASP CA C 13 56.711 0.087 . 1 . . . . . 191 ASP CA . 52489 1 1383 . 1 . 1 191 191 ASP CB C 13 39.837 0.153 . 1 . . . . . 191 ASP CB . 52489 1 1384 . 1 . 1 191 191 ASP N N 15 121.219 0.085 . 1 . . . . . 191 ASP N . 52489 1 1385 . 1 . 1 192 192 ALA H H 1 6.937 0.003 . 1 . . . . . 192 ALA H . 52489 1 1386 . 1 . 1 192 192 ALA HA H 1 4.340 0.004 . 1 . . . . . 192 ALA HA . 52489 1 1387 . 1 . 1 192 192 ALA HB1 H 1 1.534 0.001 . 1 . . . . . 192 ALA HB1 . 52489 1 1388 . 1 . 1 192 192 ALA HB2 H 1 1.534 0.001 . 1 . . . . . 192 ALA HB2 . 52489 1 1389 . 1 . 1 192 192 ALA HB3 H 1 1.534 0.001 . 1 . . . . . 192 ALA HB3 . 52489 1 1390 . 1 . 1 192 192 ALA C C 13 177.742 0.005 . 1 . . . . . 192 ALA C . 52489 1 1391 . 1 . 1 192 192 ALA CA C 13 52.676 0.064 . 1 . . . . . 192 ALA CA . 52489 1 1392 . 1 . 1 192 192 ALA CB C 13 18.757 0.007 . 1 . . . . . 192 ALA CB . 52489 1 1393 . 1 . 1 192 192 ALA N N 15 119.112 0.122 . 1 . . . . . 192 ALA N . 52489 1 1394 . 1 . 1 193 193 LEU H H 1 7.262 0.002 . 1 . . . . . 193 LEU H . 52489 1 1395 . 1 . 1 193 193 LEU HA H 1 4.340 0.000 . 1 . . . . . 193 LEU HA . 52489 1 1396 . 1 . 1 193 193 LEU HB2 H 1 1.748 0.000 . 2 . . . . . 193 LEU HB2 . 52489 1 1397 . 1 . 1 193 193 LEU HB3 H 1 1.643 0.000 . 2 . . . . . 193 LEU HB3 . 52489 1 1398 . 1 . 1 193 193 LEU HD11 H 1 0.836 0.000 . 1 . . . . . 193 LEU HD11 . 52489 1 1399 . 1 . 1 193 193 LEU HD12 H 1 0.836 0.000 . 1 . . . . . 193 LEU HD12 . 52489 1 1400 . 1 . 1 193 193 LEU HD13 H 1 0.836 0.000 . 1 . . . . . 193 LEU HD13 . 52489 1 1401 . 1 . 1 193 193 LEU C C 13 175.992 0.000 . 1 . . . . . 193 LEU C . 52489 1 1402 . 1 . 1 193 193 LEU CA C 13 55.384 0.225 . 1 . . . . . 193 LEU CA . 52489 1 1403 . 1 . 1 193 193 LEU CB C 13 41.724 0.017 . 1 . . . . . 193 LEU CB . 52489 1 1404 . 1 . 1 193 193 LEU CG C 13 26.912 0.000 . 1 . . . . . 193 LEU CG . 52489 1 1405 . 1 . 1 193 193 LEU CD1 C 13 23.655 0.000 . 1 . . . . . 193 LEU CD1 . 52489 1 1406 . 1 . 1 193 193 LEU N N 15 119.312 0.067 . 1 . . . . . 193 LEU N . 52489 1 1407 . 1 . 1 194 194 LYS H H 1 7.842 0.002 . 1 . . . . . 194 LYS H . 52489 1 1408 . 1 . 1 194 194 LYS C C 13 181.688 0.000 . 1 . . . . . 194 LYS C . 52489 1 1409 . 1 . 1 194 194 LYS CA C 13 57.830 0.000 . 1 . . . . . 194 LYS CA . 52489 1 1410 . 1 . 1 194 194 LYS CB C 13 33.784 0.000 . 1 . . . . . 194 LYS CB . 52489 1 1411 . 1 . 1 194 194 LYS N N 15 127.972 0.041 . 1 . . . . . 194 LYS N . 52489 1 stop_ save_