data_52501 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52501 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for a Cys-less mutant of hVDAC-2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-06-11 _Entry.Accession_date 2024-06-11 _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 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Harisankar Khuntia . . . . 52501 2 Tsyr-Yan Yu . . . 0000-0001-7051-4769 52501 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52501 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 273 52501 '15N chemical shifts' 273 52501 '1H chemical shifts' 273 52501 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 . . 2024-07-08 . original BMRB . 52501 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52501 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Chemical shift assignments for VDAC-2 Cys-less mutant ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Harisankar Khuntia . . . . 52501 1 2 Tsyr-Yan Yu . . . . 52501 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52501 _Assembly.ID 1 _Assembly.Name 'Cys-less mutant of hVDAC-2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _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 'Cys-less mutant of hVDAC-2' 1 $entity_1 . . yes native no no . . . 52501 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52501 _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 ; MATHGQTSARPMAIPPSYAD LGKAARDIFNKGFGFGLVKL DVKTKSESGVEFSTSGSSNT DTGKVTGTLETKYKWTEYGL TFTAKWNTDNTLGTEIAIED QIAQGLKLTFDTTFSPNTGK KSGKIKSSYKREHINLGSDV DFDFAGPAIHGSAVFGYEGW LAGYQMTFDSAKSKLTRNNF AVGYRTGDFQLHTNVNDGTE FGGSIYQKVNEDLDTSVNLA WTSGTNNTRFGIAAKYQLDP TASISAKVNNSSLIGVGYTQ TLRPGVKLTLSALVDGKSIN AGGHKVGLALELEA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 294 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 . 52501 1 2 . ALA . 52501 1 3 . THR . 52501 1 4 . HIS . 52501 1 5 . GLY . 52501 1 6 . GLN . 52501 1 7 . THR . 52501 1 8 . SER . 52501 1 9 . ALA . 52501 1 10 . ARG . 52501 1 11 . PRO . 52501 1 12 . MET . 52501 1 13 . ALA . 52501 1 14 . ILE . 52501 1 15 . PRO . 52501 1 16 . PRO . 52501 1 17 . SER . 52501 1 18 . TYR . 52501 1 19 . ALA . 52501 1 20 . ASP . 52501 1 21 . LEU . 52501 1 22 . GLY . 52501 1 23 . LYS . 52501 1 24 . ALA . 52501 1 25 . ALA . 52501 1 26 . ARG . 52501 1 27 . ASP . 52501 1 28 . ILE . 52501 1 29 . PHE . 52501 1 30 . ASN . 52501 1 31 . LYS . 52501 1 32 . GLY . 52501 1 33 . PHE . 52501 1 34 . GLY . 52501 1 35 . PHE . 52501 1 36 . GLY . 52501 1 37 . LEU . 52501 1 38 . VAL . 52501 1 39 . LYS . 52501 1 40 . LEU . 52501 1 41 . ASP . 52501 1 42 . VAL . 52501 1 43 . LYS . 52501 1 44 . THR . 52501 1 45 . LYS . 52501 1 46 . SER . 52501 1 47 . GLU . 52501 1 48 . SER . 52501 1 49 . GLY . 52501 1 50 . VAL . 52501 1 51 . GLU . 52501 1 52 . PHE . 52501 1 53 . SER . 52501 1 54 . THR . 52501 1 55 . SER . 52501 1 56 . GLY . 52501 1 57 . SER . 52501 1 58 . SER . 52501 1 59 . ASN . 52501 1 60 . THR . 52501 1 61 . ASP . 52501 1 62 . THR . 52501 1 63 . GLY . 52501 1 64 . LYS . 52501 1 65 . VAL . 52501 1 66 . THR . 52501 1 67 . GLY . 52501 1 68 . THR . 52501 1 69 . LEU . 52501 1 70 . GLU . 52501 1 71 . THR . 52501 1 72 . LYS . 52501 1 73 . TYR . 52501 1 74 . LYS . 52501 1 75 . TRP . 52501 1 76 . THR . 52501 1 77 . GLU . 52501 1 78 . TYR . 52501 1 79 . GLY . 52501 1 80 . LEU . 52501 1 81 . THR . 52501 1 82 . PHE . 52501 1 83 . THR . 52501 1 84 . ALA . 52501 1 85 . LYS . 52501 1 86 . TRP . 52501 1 87 . ASN . 52501 1 88 . THR . 52501 1 89 . ASP . 52501 1 90 . ASN . 52501 1 91 . THR . 52501 1 92 . LEU . 52501 1 93 . GLY . 52501 1 94 . THR . 52501 1 95 . GLU . 52501 1 96 . ILE . 52501 1 97 . ALA . 52501 1 98 . ILE . 52501 1 99 . GLU . 52501 1 100 . ASP . 52501 1 101 . GLN . 52501 1 102 . ILE . 52501 1 103 . ALA . 52501 1 104 . GLN . 52501 1 105 . GLY . 52501 1 106 . LEU . 52501 1 107 . LYS . 52501 1 108 . LEU . 52501 1 109 . THR . 52501 1 110 . PHE . 52501 1 111 . ASP . 52501 1 112 . THR . 52501 1 113 . THR . 52501 1 114 . PHE . 52501 1 115 . SER . 52501 1 116 . PRO . 52501 1 117 . ASN . 52501 1 118 . THR . 52501 1 119 . GLY . 52501 1 120 . LYS . 52501 1 121 . LYS . 52501 1 122 . SER . 52501 1 123 . GLY . 52501 1 124 . LYS . 52501 1 125 . ILE . 52501 1 126 . LYS . 52501 1 127 . SER . 52501 1 128 . SER . 52501 1 129 . TYR . 52501 1 130 . LYS . 52501 1 131 . ARG . 52501 1 132 . GLU . 52501 1 133 . HIS . 52501 1 134 . ILE . 52501 1 135 . ASN . 52501 1 136 . LEU . 52501 1 137 . GLY . 52501 1 138 . SER . 52501 1 139 . ASP . 52501 1 140 . VAL . 52501 1 141 . ASP . 52501 1 142 . PHE . 52501 1 143 . ASP . 52501 1 144 . PHE . 52501 1 145 . ALA . 52501 1 146 . GLY . 52501 1 147 . PRO . 52501 1 148 . ALA . 52501 1 149 . ILE . 52501 1 150 . HIS . 52501 1 151 . GLY . 52501 1 152 . SER . 52501 1 153 . ALA . 52501 1 154 . VAL . 52501 1 155 . PHE . 52501 1 156 . GLY . 52501 1 157 . TYR . 52501 1 158 . GLU . 52501 1 159 . GLY . 52501 1 160 . TRP . 52501 1 161 . LEU . 52501 1 162 . ALA . 52501 1 163 . GLY . 52501 1 164 . TYR . 52501 1 165 . GLN . 52501 1 166 . MET . 52501 1 167 . THR . 52501 1 168 . PHE . 52501 1 169 . ASP . 52501 1 170 . SER . 52501 1 171 . ALA . 52501 1 172 . LYS . 52501 1 173 . SER . 52501 1 174 . LYS . 52501 1 175 . LEU . 52501 1 176 . THR . 52501 1 177 . ARG . 52501 1 178 . ASN . 52501 1 179 . ASN . 52501 1 180 . PHE . 52501 1 181 . ALA . 52501 1 182 . VAL . 52501 1 183 . GLY . 52501 1 184 . TYR . 52501 1 185 . ARG . 52501 1 186 . THR . 52501 1 187 . GLY . 52501 1 188 . ASP . 52501 1 189 . PHE . 52501 1 190 . GLN . 52501 1 191 . LEU . 52501 1 192 . HIS . 52501 1 193 . THR . 52501 1 194 . ASN . 52501 1 195 . VAL . 52501 1 196 . ASN . 52501 1 197 . ASP . 52501 1 198 . GLY . 52501 1 199 . THR . 52501 1 200 . GLU . 52501 1 201 . PHE . 52501 1 202 . GLY . 52501 1 203 . GLY . 52501 1 204 . SER . 52501 1 205 . ILE . 52501 1 206 . TYR . 52501 1 207 . GLN . 52501 1 208 . LYS . 52501 1 209 . VAL . 52501 1 210 . ASN . 52501 1 211 . GLU . 52501 1 212 . ASP . 52501 1 213 . LEU . 52501 1 214 . ASP . 52501 1 215 . THR . 52501 1 216 . SER . 52501 1 217 . VAL . 52501 1 218 . ASN . 52501 1 219 . LEU . 52501 1 220 . ALA . 52501 1 221 . TRP . 52501 1 222 . THR . 52501 1 223 . SER . 52501 1 224 . GLY . 52501 1 225 . THR . 52501 1 226 . ASN . 52501 1 227 . ASN . 52501 1 228 . THR . 52501 1 229 . ARG . 52501 1 230 . PHE . 52501 1 231 . GLY . 52501 1 232 . ILE . 52501 1 233 . ALA . 52501 1 234 . ALA . 52501 1 235 . LYS . 52501 1 236 . TYR . 52501 1 237 . GLN . 52501 1 238 . LEU . 52501 1 239 . ASP . 52501 1 240 . PRO . 52501 1 241 . THR . 52501 1 242 . ALA . 52501 1 243 . SER . 52501 1 244 . ILE . 52501 1 245 . SER . 52501 1 246 . ALA . 52501 1 247 . LYS . 52501 1 248 . VAL . 52501 1 249 . ASN . 52501 1 250 . ASN . 52501 1 251 . SER . 52501 1 252 . SER . 52501 1 253 . LEU . 52501 1 254 . ILE . 52501 1 255 . GLY . 52501 1 256 . VAL . 52501 1 257 . GLY . 52501 1 258 . TYR . 52501 1 259 . THR . 52501 1 260 . GLN . 52501 1 261 . THR . 52501 1 262 . LEU . 52501 1 263 . ARG . 52501 1 264 . PRO . 52501 1 265 . GLY . 52501 1 266 . VAL . 52501 1 267 . LYS . 52501 1 268 . LEU . 52501 1 269 . THR . 52501 1 270 . LEU . 52501 1 271 . SER . 52501 1 272 . ALA . 52501 1 273 . LEU . 52501 1 274 . VAL . 52501 1 275 . ASP . 52501 1 276 . GLY . 52501 1 277 . LYS . 52501 1 278 . SER . 52501 1 279 . ILE . 52501 1 280 . ASN . 52501 1 281 . ALA . 52501 1 282 . GLY . 52501 1 283 . GLY . 52501 1 284 . HIS . 52501 1 285 . LYS . 52501 1 286 . VAL . 52501 1 287 . GLY . 52501 1 288 . LEU . 52501 1 289 . ALA . 52501 1 290 . LEU . 52501 1 291 . GLU . 52501 1 292 . LEU . 52501 1 293 . GLU . 52501 1 294 . ALA . 52501 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 52501 1 . ALA 2 2 52501 1 . THR 3 3 52501 1 . HIS 4 4 52501 1 . GLY 5 5 52501 1 . GLN 6 6 52501 1 . THR 7 7 52501 1 . SER 8 8 52501 1 . ALA 9 9 52501 1 . ARG 10 10 52501 1 . PRO 11 11 52501 1 . MET 12 12 52501 1 . ALA 13 13 52501 1 . ILE 14 14 52501 1 . PRO 15 15 52501 1 . PRO 16 16 52501 1 . SER 17 17 52501 1 . TYR 18 18 52501 1 . ALA 19 19 52501 1 . ASP 20 20 52501 1 . LEU 21 21 52501 1 . GLY 22 22 52501 1 . LYS 23 23 52501 1 . ALA 24 24 52501 1 . ALA 25 25 52501 1 . ARG 26 26 52501 1 . ASP 27 27 52501 1 . ILE 28 28 52501 1 . PHE 29 29 52501 1 . ASN 30 30 52501 1 . LYS 31 31 52501 1 . GLY 32 32 52501 1 . PHE 33 33 52501 1 . GLY 34 34 52501 1 . PHE 35 35 52501 1 . GLY 36 36 52501 1 . LEU 37 37 52501 1 . VAL 38 38 52501 1 . LYS 39 39 52501 1 . LEU 40 40 52501 1 . ASP 41 41 52501 1 . VAL 42 42 52501 1 . LYS 43 43 52501 1 . THR 44 44 52501 1 . LYS 45 45 52501 1 . SER 46 46 52501 1 . GLU 47 47 52501 1 . SER 48 48 52501 1 . GLY 49 49 52501 1 . VAL 50 50 52501 1 . GLU 51 51 52501 1 . PHE 52 52 52501 1 . SER 53 53 52501 1 . THR 54 54 52501 1 . SER 55 55 52501 1 . GLY 56 56 52501 1 . SER 57 57 52501 1 . SER 58 58 52501 1 . ASN 59 59 52501 1 . THR 60 60 52501 1 . ASP 61 61 52501 1 . THR 62 62 52501 1 . GLY 63 63 52501 1 . LYS 64 64 52501 1 . VAL 65 65 52501 1 . THR 66 66 52501 1 . GLY 67 67 52501 1 . THR 68 68 52501 1 . LEU 69 69 52501 1 . GLU 70 70 52501 1 . THR 71 71 52501 1 . LYS 72 72 52501 1 . TYR 73 73 52501 1 . LYS 74 74 52501 1 . TRP 75 75 52501 1 . THR 76 76 52501 1 . GLU 77 77 52501 1 . TYR 78 78 52501 1 . GLY 79 79 52501 1 . LEU 80 80 52501 1 . THR 81 81 52501 1 . PHE 82 82 52501 1 . THR 83 83 52501 1 . ALA 84 84 52501 1 . LYS 85 85 52501 1 . TRP 86 86 52501 1 . ASN 87 87 52501 1 . THR 88 88 52501 1 . ASP 89 89 52501 1 . ASN 90 90 52501 1 . THR 91 91 52501 1 . LEU 92 92 52501 1 . GLY 93 93 52501 1 . THR 94 94 52501 1 . GLU 95 95 52501 1 . ILE 96 96 52501 1 . ALA 97 97 52501 1 . ILE 98 98 52501 1 . GLU 99 99 52501 1 . ASP 100 100 52501 1 . GLN 101 101 52501 1 . ILE 102 102 52501 1 . ALA 103 103 52501 1 . GLN 104 104 52501 1 . GLY 105 105 52501 1 . LEU 106 106 52501 1 . LYS 107 107 52501 1 . LEU 108 108 52501 1 . THR 109 109 52501 1 . PHE 110 110 52501 1 . ASP 111 111 52501 1 . THR 112 112 52501 1 . THR 113 113 52501 1 . PHE 114 114 52501 1 . SER 115 115 52501 1 . PRO 116 116 52501 1 . ASN 117 117 52501 1 . THR 118 118 52501 1 . GLY 119 119 52501 1 . LYS 120 120 52501 1 . LYS 121 121 52501 1 . SER 122 122 52501 1 . GLY 123 123 52501 1 . LYS 124 124 52501 1 . ILE 125 125 52501 1 . LYS 126 126 52501 1 . SER 127 127 52501 1 . SER 128 128 52501 1 . TYR 129 129 52501 1 . LYS 130 130 52501 1 . ARG 131 131 52501 1 . GLU 132 132 52501 1 . HIS 133 133 52501 1 . ILE 134 134 52501 1 . ASN 135 135 52501 1 . LEU 136 136 52501 1 . GLY 137 137 52501 1 . SER 138 138 52501 1 . ASP 139 139 52501 1 . VAL 140 140 52501 1 . ASP 141 141 52501 1 . PHE 142 142 52501 1 . ASP 143 143 52501 1 . PHE 144 144 52501 1 . ALA 145 145 52501 1 . GLY 146 146 52501 1 . PRO 147 147 52501 1 . ALA 148 148 52501 1 . ILE 149 149 52501 1 . HIS 150 150 52501 1 . GLY 151 151 52501 1 . SER 152 152 52501 1 . ALA 153 153 52501 1 . VAL 154 154 52501 1 . PHE 155 155 52501 1 . GLY 156 156 52501 1 . TYR 157 157 52501 1 . GLU 158 158 52501 1 . GLY 159 159 52501 1 . TRP 160 160 52501 1 . LEU 161 161 52501 1 . ALA 162 162 52501 1 . GLY 163 163 52501 1 . TYR 164 164 52501 1 . GLN 165 165 52501 1 . MET 166 166 52501 1 . THR 167 167 52501 1 . PHE 168 168 52501 1 . ASP 169 169 52501 1 . SER 170 170 52501 1 . ALA 171 171 52501 1 . LYS 172 172 52501 1 . SER 173 173 52501 1 . LYS 174 174 52501 1 . LEU 175 175 52501 1 . THR 176 176 52501 1 . ARG 177 177 52501 1 . ASN 178 178 52501 1 . ASN 179 179 52501 1 . PHE 180 180 52501 1 . ALA 181 181 52501 1 . VAL 182 182 52501 1 . GLY 183 183 52501 1 . TYR 184 184 52501 1 . ARG 185 185 52501 1 . THR 186 186 52501 1 . GLY 187 187 52501 1 . ASP 188 188 52501 1 . PHE 189 189 52501 1 . GLN 190 190 52501 1 . LEU 191 191 52501 1 . HIS 192 192 52501 1 . THR 193 193 52501 1 . ASN 194 194 52501 1 . VAL 195 195 52501 1 . ASN 196 196 52501 1 . ASP 197 197 52501 1 . GLY 198 198 52501 1 . THR 199 199 52501 1 . GLU 200 200 52501 1 . PHE 201 201 52501 1 . GLY 202 202 52501 1 . GLY 203 203 52501 1 . SER 204 204 52501 1 . ILE 205 205 52501 1 . TYR 206 206 52501 1 . GLN 207 207 52501 1 . LYS 208 208 52501 1 . VAL 209 209 52501 1 . ASN 210 210 52501 1 . GLU 211 211 52501 1 . ASP 212 212 52501 1 . LEU 213 213 52501 1 . ASP 214 214 52501 1 . THR 215 215 52501 1 . SER 216 216 52501 1 . VAL 217 217 52501 1 . ASN 218 218 52501 1 . LEU 219 219 52501 1 . ALA 220 220 52501 1 . TRP 221 221 52501 1 . THR 222 222 52501 1 . SER 223 223 52501 1 . GLY 224 224 52501 1 . THR 225 225 52501 1 . ASN 226 226 52501 1 . ASN 227 227 52501 1 . THR 228 228 52501 1 . ARG 229 229 52501 1 . PHE 230 230 52501 1 . GLY 231 231 52501 1 . ILE 232 232 52501 1 . ALA 233 233 52501 1 . ALA 234 234 52501 1 . LYS 235 235 52501 1 . TYR 236 236 52501 1 . GLN 237 237 52501 1 . LEU 238 238 52501 1 . ASP 239 239 52501 1 . PRO 240 240 52501 1 . THR 241 241 52501 1 . ALA 242 242 52501 1 . SER 243 243 52501 1 . ILE 244 244 52501 1 . SER 245 245 52501 1 . ALA 246 246 52501 1 . LYS 247 247 52501 1 . VAL 248 248 52501 1 . ASN 249 249 52501 1 . ASN 250 250 52501 1 . SER 251 251 52501 1 . SER 252 252 52501 1 . LEU 253 253 52501 1 . ILE 254 254 52501 1 . GLY 255 255 52501 1 . VAL 256 256 52501 1 . GLY 257 257 52501 1 . TYR 258 258 52501 1 . THR 259 259 52501 1 . GLN 260 260 52501 1 . THR 261 261 52501 1 . LEU 262 262 52501 1 . ARG 263 263 52501 1 . PRO 264 264 52501 1 . GLY 265 265 52501 1 . VAL 266 266 52501 1 . LYS 267 267 52501 1 . LEU 268 268 52501 1 . THR 269 269 52501 1 . LEU 270 270 52501 1 . SER 271 271 52501 1 . ALA 272 272 52501 1 . LEU 273 273 52501 1 . VAL 274 274 52501 1 . ASP 275 275 52501 1 . GLY 276 276 52501 1 . LYS 277 277 52501 1 . SER 278 278 52501 1 . ILE 279 279 52501 1 . ASN 280 280 52501 1 . ALA 281 281 52501 1 . GLY 282 282 52501 1 . GLY 283 283 52501 1 . HIS 284 284 52501 1 . LYS 285 285 52501 1 . VAL 286 286 52501 1 . GLY 287 287 52501 1 . LEU 288 288 52501 1 . ALA 289 289 52501 1 . LEU 290 290 52501 1 . GLU 291 291 52501 1 . LEU 292 292 52501 1 . GLU 293 293 52501 1 . ALA 294 294 52501 1 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 52501 _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 . . . . . . . . . . . . . 52501 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 52501 _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 . . . plasmid . . pET21b . . . 52501 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52501 _Sample.ID 1 _Sample.Name 'Cys-less hVDAC2' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 hVDAC2-DeltaC '[U-99% 13C; U-99% 15N; U-99% 2H]' . . 1 $entity_1 . . 982 . . uM . . . . 52501 1 2 NaPi 'natural abundance' . . . . . . 25 . . mM . . . . 52501 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 52501 1 4 TCEP 'natural abundance' . . . . . . 20 . . mM . . . . 52501 1 5 LDAO 'natural abundance' . . . . . . 250 . . mM . . . . 52501 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 52501 _Sample_condition_list.ID 1 _Sample_condition_list.Name '982 uM Cys-Less hVDAC2 in 90%H2O, 10%D2O, 303K' _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 52501 1 pH 6.5 . pH 52501 1 pressure 1 . atm 52501 1 temperature 303 . K 52501 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52501 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52501 1 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 52501 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'NEO 850' _NMR_spectrometer.Details 'TXI cyroprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 52501 _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 TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52501 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52501 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . 52501 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . 52501 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 52501 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 52501 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 15NTROSY_CysFreeVDAC2 _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 TROSY' . . . 52501 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 . . 52501 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 2 2 ALA H H 1 8.195 0.020 . 1 . . . . . 2 ALA H . 52501 1 2 . 1 . 1 2 2 ALA CA C 13 52.184 0.3 . 1 . . . . . 2 ALA CA . 52501 1 3 . 1 . 1 2 2 ALA N N 15 130.032 0.3 . 1 . . . . . 2 ALA N . 52501 1 4 . 1 . 1 3 3 THR H H 1 8.043 0.020 . 1 . . . . . 3 THR H . 52501 1 5 . 1 . 1 3 3 THR CA C 13 61.297 0.3 . 1 . . . . . 3 THR CA . 52501 1 6 . 1 . 1 3 3 THR N N 15 112.767 0.3 . 1 . . . . . 3 THR N . 52501 1 7 . 1 . 1 5 5 GLY H H 1 8.398 0.020 . 1 . . . . . 5 GLY H . 52501 1 8 . 1 . 1 5 5 GLY CA C 13 44.857 0.3 . 1 . . . . . 5 GLY CA . 52501 1 9 . 1 . 1 5 5 GLY N N 15 110.772 0.3 . 1 . . . . . 5 GLY N . 52501 1 10 . 1 . 1 6 6 GLN H H 1 8.257 0.020 . 1 . . . . . 6 GLN H . 52501 1 11 . 1 . 1 6 6 GLN CA C 13 55.499 0.3 . 1 . . . . . 6 GLN CA . 52501 1 12 . 1 . 1 6 6 GLN N N 15 120.524 0.3 . 1 . . . . . 6 GLN N . 52501 1 13 . 1 . 1 7 7 THR H H 1 8.209 0.020 . 1 . . . . . 7 THR H . 52501 1 14 . 1 . 1 7 7 THR CA C 13 61.552 0.3 . 1 . . . . . 7 THR CA . 52501 1 15 . 1 . 1 7 7 THR N N 15 116.041 0.3 . 1 . . . . . 7 THR N . 52501 1 16 . 1 . 1 8 8 SER H H 1 8.211 0.020 . 1 . . . . . 8 SER H . 52501 1 17 . 1 . 1 8 8 SER CA C 13 57.860 0.3 . 1 . . . . . 8 SER CA . 52501 1 18 . 1 . 1 8 8 SER N N 15 118.482 0.3 . 1 . . . . . 8 SER N . 52501 1 19 . 1 . 1 9 9 ALA H H 1 8.190 0.020 . 1 . . . . . 9 ALA H . 52501 1 20 . 1 . 1 9 9 ALA CA C 13 51.953 0.3 . 1 . . . . . 9 ALA CA . 52501 1 21 . 1 . 1 9 9 ALA N N 15 126.264 0.3 . 1 . . . . . 9 ALA N . 52501 1 22 . 1 . 1 10 10 ARG H H 1 8.260 0.020 . 1 . . . . . 10 ARG H . 52501 1 23 . 1 . 1 10 10 ARG CA C 13 53.614 0.3 . 1 . . . . . 10 ARG CA . 52501 1 24 . 1 . 1 10 10 ARG N N 15 121.994 0.3 . 1 . . . . . 10 ARG N . 52501 1 25 . 1 . 1 12 12 MET H H 1 8.383 0.020 . 1 . . . . . 12 MET H . 52501 1 26 . 1 . 1 12 12 MET CA C 13 55.352 0.3 . 1 . . . . . 12 MET CA . 52501 1 27 . 1 . 1 12 12 MET N N 15 119.519 0.3 . 1 . . . . . 12 MET N . 52501 1 28 . 1 . 1 13 13 ALA H H 1 8.152 0.020 . 1 . . . . . 13 ALA H . 52501 1 29 . 1 . 1 13 13 ALA CA C 13 52.363 0.3 . 1 . . . . . 13 ALA CA . 52501 1 30 . 1 . 1 13 13 ALA N N 15 123.747 0.3 . 1 . . . . . 13 ALA N . 52501 1 31 . 1 . 1 14 14 ILE H H 1 7.729 0.020 . 1 . . . . . 14 ILE H . 52501 1 32 . 1 . 1 14 14 ILE CA C 13 58.236 0.3 . 1 . . . . . 14 ILE CA . 52501 1 33 . 1 . 1 14 14 ILE N N 15 124.108 0.3 . 1 . . . . . 14 ILE N . 52501 1 34 . 1 . 1 17 17 SER H H 1 7.829 0.020 . 1 . . . . . 17 SER H . 52501 1 35 . 1 . 1 17 17 SER CA C 13 56.680 0.3 . 1 . . . . . 17 SER CA . 52501 1 36 . 1 . 1 17 17 SER N N 15 111.657 0.3 . 1 . . . . . 17 SER N . 52501 1 37 . 1 . 1 18 18 TYR H H 1 8.138 0.020 . 1 . . . . . 18 TYR H . 52501 1 38 . 1 . 1 18 18 TYR CA C 13 61.866 0.3 . 1 . . . . . 18 TYR CA . 52501 1 39 . 1 . 1 18 18 TYR N N 15 123.242 0.3 . 1 . . . . . 18 TYR N . 52501 1 40 . 1 . 1 19 19 ALA H H 1 8.287 0.020 . 1 . . . . . 19 ALA H . 52501 1 41 . 1 . 1 19 19 ALA CA C 13 53.613 0.3 . 1 . . . . . 19 ALA CA . 52501 1 42 . 1 . 1 19 19 ALA N N 15 118.884 0.3 . 1 . . . . . 19 ALA N . 52501 1 43 . 1 . 1 20 20 ASP H H 1 7.241 0.020 . 1 . . . . . 20 ASP H . 52501 1 44 . 1 . 1 20 20 ASP CA C 13 53.549 0.3 . 1 . . . . . 20 ASP CA . 52501 1 45 . 1 . 1 20 20 ASP N N 15 115.140 0.3 . 1 . . . . . 20 ASP N . 52501 1 46 . 1 . 1 21 21 LEU H H 1 7.391 0.020 . 1 . . . . . 21 LEU H . 52501 1 47 . 1 . 1 21 21 LEU CA C 13 55.932 0.3 . 1 . . . . . 21 LEU CA . 52501 1 48 . 1 . 1 21 21 LEU N N 15 125.477 0.3 . 1 . . . . . 21 LEU N . 52501 1 49 . 1 . 1 23 23 LYS H H 1 7.211 0.020 . 1 . . . . . 23 LYS H . 52501 1 50 . 1 . 1 23 23 LYS CA C 13 59.376 0.3 . 1 . . . . . 23 LYS CA . 52501 1 51 . 1 . 1 23 23 LYS N N 15 122.414 0.3 . 1 . . . . . 23 LYS N . 52501 1 52 . 1 . 1 24 24 ALA H H 1 7.990 0.020 . 1 . . . . . 24 ALA H . 52501 1 53 . 1 . 1 24 24 ALA CA C 13 54.729 0.3 . 1 . . . . . 24 ALA CA . 52501 1 54 . 1 . 1 24 24 ALA N N 15 121.063 0.3 . 1 . . . . . 24 ALA N . 52501 1 55 . 1 . 1 25 25 ALA H H 1 8.001 0.020 . 1 . . . . . 25 ALA H . 52501 1 56 . 1 . 1 25 25 ALA CA C 13 54.050 0.3 . 1 . . . . . 25 ALA CA . 52501 1 57 . 1 . 1 25 25 ALA N N 15 117.630 0.3 . 1 . . . . . 25 ALA N . 52501 1 58 . 1 . 1 26 26 ARG H H 1 7.479 0.020 . 1 . . . . . 26 ARG H . 52501 1 59 . 1 . 1 26 26 ARG CA C 13 59.540 0.3 . 1 . . . . . 26 ARG CA . 52501 1 60 . 1 . 1 26 26 ARG N N 15 117.962 0.3 . 1 . . . . . 26 ARG N . 52501 1 61 . 1 . 1 27 27 ASP H H 1 8.937 0.020 . 1 . . . . . 27 ASP H . 52501 1 62 . 1 . 1 27 27 ASP CA C 13 56.991 0.3 . 1 . . . . . 27 ASP CA . 52501 1 63 . 1 . 1 27 27 ASP N N 15 120.238 0.3 . 1 . . . . . 27 ASP N . 52501 1 64 . 1 . 1 28 28 ILE H H 1 7.375 0.020 . 1 . . . . . 28 ILE H . 52501 1 65 . 1 . 1 28 28 ILE CA C 13 62.106 0.3 . 1 . . . . . 28 ILE CA . 52501 1 66 . 1 . 1 28 28 ILE N N 15 119.643 0.3 . 1 . . . . . 28 ILE N . 52501 1 67 . 1 . 1 29 29 PHE H H 1 7.221 0.020 . 1 . . . . . 29 PHE H . 52501 1 68 . 1 . 1 29 29 PHE CA C 13 61.833 0.3 . 1 . . . . . 29 PHE CA . 52501 1 69 . 1 . 1 29 29 PHE N N 15 114.120 0.3 . 1 . . . . . 29 PHE N . 52501 1 70 . 1 . 1 30 30 ASN H H 1 8.118 0.020 . 1 . . . . . 30 ASN H . 52501 1 71 . 1 . 1 30 30 ASN CA C 13 54.489 0.3 . 1 . . . . . 30 ASN CA . 52501 1 72 . 1 . 1 30 30 ASN N N 15 114.274 0.3 . 1 . . . . . 30 ASN N . 52501 1 73 . 1 . 1 31 31 LYS H H 1 8.577 0.020 . 1 . . . . . 31 LYS H . 52501 1 74 . 1 . 1 31 31 LYS CA C 13 57.050 0.3 . 1 . . . . . 31 LYS CA . 52501 1 75 . 1 . 1 31 31 LYS N N 15 122.358 0.3 . 1 . . . . . 31 LYS N . 52501 1 76 . 1 . 1 32 32 GLY H H 1 8.114 0.020 . 1 . . . . . 32 GLY H . 52501 1 77 . 1 . 1 32 32 GLY CA C 13 44.207 0.3 . 1 . . . . . 32 GLY CA . 52501 1 78 . 1 . 1 32 32 GLY N N 15 107.653 0.3 . 1 . . . . . 32 GLY N . 52501 1 79 . 1 . 1 33 33 PHE H H 1 6.982 0.020 . 1 . . . . . 33 PHE H . 52501 1 80 . 1 . 1 33 33 PHE CA C 13 55.486 0.3 . 1 . . . . . 33 PHE CA . 52501 1 81 . 1 . 1 33 33 PHE N N 15 114.760 0.3 . 1 . . . . . 33 PHE N . 52501 1 82 . 1 . 1 34 34 GLY H H 1 7.700 0.020 . 1 . . . . . 34 GLY H . 52501 1 83 . 1 . 1 34 34 GLY CA C 13 45.049 0.3 . 1 . . . . . 34 GLY CA . 52501 1 84 . 1 . 1 34 34 GLY N N 15 111.153 0.3 . 1 . . . . . 34 GLY N . 52501 1 85 . 1 . 1 35 35 PHE H H 1 6.807 0.020 . 1 . . . . . 35 PHE H . 52501 1 86 . 1 . 1 35 35 PHE CA C 13 55.722 0.3 . 1 . . . . . 35 PHE CA . 52501 1 87 . 1 . 1 35 35 PHE N N 15 119.565 0.3 . 1 . . . . . 35 PHE N . 52501 1 88 . 1 . 1 36 36 GLY H H 1 8.214 0.020 . 1 . . . . . 36 GLY H . 52501 1 89 . 1 . 1 36 36 GLY CA C 13 45.110 0.3 . 1 . . . . . 36 GLY CA . 52501 1 90 . 1 . 1 36 36 GLY N N 15 109.907 0.3 . 1 . . . . . 36 GLY N . 52501 1 91 . 1 . 1 37 37 LEU H H 1 7.494 0.020 . 1 . . . . . 37 LEU H . 52501 1 92 . 1 . 1 37 37 LEU CA C 13 53.235 0.3 . 1 . . . . . 37 LEU CA . 52501 1 93 . 1 . 1 37 37 LEU N N 15 118.814 0.3 . 1 . . . . . 37 LEU N . 52501 1 94 . 1 . 1 38 38 VAL H H 1 8.526 0.020 . 1 . . . . . 38 VAL H . 52501 1 95 . 1 . 1 38 38 VAL CA C 13 61.179 0.3 . 1 . . . . . 38 VAL CA . 52501 1 96 . 1 . 1 38 38 VAL N N 15 120.817 0.3 . 1 . . . . . 38 VAL N . 52501 1 97 . 1 . 1 39 39 LYS H H 1 8.618 0.020 . 1 . . . . . 39 LYS H . 52501 1 98 . 1 . 1 39 39 LYS CA C 13 54.794 0.3 . 1 . . . . . 39 LYS CA . 52501 1 99 . 1 . 1 39 39 LYS N N 15 126.885 0.3 . 1 . . . . . 39 LYS N . 52501 1 100 . 1 . 1 40 40 LEU H H 1 8.684 0.020 . 1 . . . . . 40 LEU H . 52501 1 101 . 1 . 1 40 40 LEU CA C 13 53.096 0.3 . 1 . . . . . 40 LEU CA . 52501 1 102 . 1 . 1 40 40 LEU N N 15 124.639 0.3 . 1 . . . . . 40 LEU N . 52501 1 103 . 1 . 1 41 41 ASP H H 1 8.520 0.020 . 1 . . . . . 41 ASP H . 52501 1 104 . 1 . 1 41 41 ASP CA C 13 53.273 0.3 . 1 . . . . . 41 ASP CA . 52501 1 105 . 1 . 1 41 41 ASP N N 15 125.139 0.3 . 1 . . . . . 41 ASP N . 52501 1 106 . 1 . 1 42 42 VAL H H 1 8.922 0.020 . 1 . . . . . 42 VAL H . 52501 1 107 . 1 . 1 42 42 VAL CA C 13 60.604 0.3 . 1 . . . . . 42 VAL CA . 52501 1 108 . 1 . 1 42 42 VAL N N 15 122.525 0.3 . 1 . . . . . 42 VAL N . 52501 1 109 . 1 . 1 43 43 LYS H H 1 8.591 0.020 . 1 . . . . . 43 LYS H . 52501 1 110 . 1 . 1 43 43 LYS CA C 13 54.918 0.3 . 1 . . . . . 43 LYS CA . 52501 1 111 . 1 . 1 43 43 LYS N N 15 126.498 0.3 . 1 . . . . . 43 LYS N . 52501 1 112 . 1 . 1 44 44 THR H H 1 8.880 0.020 . 1 . . . . . 44 THR H . 52501 1 113 . 1 . 1 44 44 THR CA C 13 59.798 0.3 . 1 . . . . . 44 THR CA . 52501 1 114 . 1 . 1 44 44 THR N N 15 114.680 0.3 . 1 . . . . . 44 THR N . 52501 1 115 . 1 . 1 45 45 LYS H H 1 8.050 0.020 . 1 . . . . . 45 LYS H . 52501 1 116 . 1 . 1 45 45 LYS CA C 13 55.376 0.3 . 1 . . . . . 45 LYS CA . 52501 1 117 . 1 . 1 45 45 LYS N N 15 123.959 0.3 . 1 . . . . . 45 LYS N . 52501 1 118 . 1 . 1 46 46 SER H H 1 8.906 0.020 . 1 . . . . . 46 SER H . 52501 1 119 . 1 . 1 46 46 SER CA C 13 57.117 0.3 . 1 . . . . . 46 SER CA . 52501 1 120 . 1 . 1 46 46 SER N N 15 121.149 0.3 . 1 . . . . . 46 SER N . 52501 1 121 . 1 . 1 47 47 GLU H H 1 9.467 0.020 . 1 . . . . . 47 GLU H . 52501 1 122 . 1 . 1 47 47 GLU CA C 13 58.976 0.3 . 1 . . . . . 47 GLU CA . 52501 1 123 . 1 . 1 47 47 GLU N N 15 125.780 0.3 . 1 . . . . . 47 GLU N . 52501 1 124 . 1 . 1 49 49 GLY H H 1 7.917 0.020 . 1 . . . . . 49 GLY H . 52501 1 125 . 1 . 1 49 49 GLY CA C 13 44.737 0.3 . 1 . . . . . 49 GLY CA . 52501 1 126 . 1 . 1 49 49 GLY N N 15 108.976 0.3 . 1 . . . . . 49 GLY N . 52501 1 127 . 1 . 1 50 50 VAL H H 1 7.581 0.020 . 1 . . . . . 50 VAL H . 52501 1 128 . 1 . 1 50 50 VAL CA C 13 62.678 0.3 . 1 . . . . . 50 VAL CA . 52501 1 129 . 1 . 1 50 50 VAL N N 15 121.479 0.3 . 1 . . . . . 50 VAL N . 52501 1 130 . 1 . 1 51 51 GLU H H 1 9.107 0.020 . 1 . . . . . 51 GLU H . 52501 1 131 . 1 . 1 51 51 GLU CA C 13 54.986 0.3 . 1 . . . . . 51 GLU CA . 52501 1 132 . 1 . 1 51 51 GLU N N 15 128.296 0.3 . 1 . . . . . 51 GLU N . 52501 1 133 . 1 . 1 52 52 PHE H H 1 8.571 0.020 . 1 . . . . . 52 PHE H . 52501 1 134 . 1 . 1 52 52 PHE CA C 13 56.426 0.3 . 1 . . . . . 52 PHE CA . 52501 1 135 . 1 . 1 52 52 PHE N N 15 122.890 0.3 . 1 . . . . . 52 PHE N . 52501 1 136 . 1 . 1 53 53 SER H H 1 9.040 0.020 . 1 . . . . . 53 SER H . 52501 1 137 . 1 . 1 53 53 SER CA C 13 56.367 0.3 . 1 . . . . . 53 SER CA . 52501 1 138 . 1 . 1 53 53 SER N N 15 119.998 0.3 . 1 . . . . . 53 SER N . 52501 1 139 . 1 . 1 54 54 THR H H 1 9.041 0.020 . 1 . . . . . 54 THR H . 52501 1 140 . 1 . 1 54 54 THR CA C 13 59.875 0.3 . 1 . . . . . 54 THR CA . 52501 1 141 . 1 . 1 54 54 THR N N 15 118.720 0.3 . 1 . . . . . 54 THR N . 52501 1 142 . 1 . 1 55 55 SER H H 1 8.402 0.020 . 1 . . . . . 55 SER H . 52501 1 143 . 1 . 1 55 55 SER CA C 13 56.114 0.3 . 1 . . . . . 55 SER CA . 52501 1 144 . 1 . 1 55 55 SER N N 15 121.395 0.3 . 1 . . . . . 55 SER N . 52501 1 145 . 1 . 1 56 56 GLY H H 1 8.995 0.020 . 1 . . . . . 56 GLY H . 52501 1 146 . 1 . 1 56 56 GLY CA C 13 44.930 0.3 . 1 . . . . . 56 GLY CA . 52501 1 147 . 1 . 1 56 56 GLY N N 15 110.434 0.3 . 1 . . . . . 56 GLY N . 52501 1 148 . 1 . 1 57 57 SER H H 1 8.991 0.020 . 1 . . . . . 57 SER H . 52501 1 149 . 1 . 1 57 57 SER CA C 13 56.543 0.3 . 1 . . . . . 57 SER CA . 52501 1 150 . 1 . 1 57 57 SER N N 15 115.326 0.3 . 1 . . . . . 57 SER N . 52501 1 151 . 1 . 1 58 58 SER H H 1 8.971 0.020 . 1 . . . . . 58 SER H . 52501 1 152 . 1 . 1 58 58 SER CA C 13 55.635 0.3 . 1 . . . . . 58 SER CA . 52501 1 153 . 1 . 1 58 58 SER N N 15 115.353 0.3 . 1 . . . . . 58 SER N . 52501 1 154 . 1 . 1 59 59 ASN H H 1 8.150 0.020 . 1 . . . . . 59 ASN H . 52501 1 155 . 1 . 1 59 59 ASN CA C 13 52.965 0.3 . 1 . . . . . 59 ASN CA . 52501 1 156 . 1 . 1 59 59 ASN N N 15 127.582 0.3 . 1 . . . . . 59 ASN N . 52501 1 157 . 1 . 1 60 60 THR H H 1 8.640 0.020 . 1 . . . . . 60 THR H . 52501 1 158 . 1 . 1 60 60 THR CA C 13 64.489 0.3 . 1 . . . . . 60 THR CA . 52501 1 159 . 1 . 1 60 60 THR N N 15 119.279 0.3 . 1 . . . . . 60 THR N . 52501 1 160 . 1 . 1 61 61 ASP H H 1 8.527 0.020 . 1 . . . . . 61 ASP H . 52501 1 161 . 1 . 1 61 61 ASP CA C 13 56.159 0.3 . 1 . . . . . 61 ASP CA . 52501 1 162 . 1 . 1 61 61 ASP N N 15 120.159 0.3 . 1 . . . . . 61 ASP N . 52501 1 163 . 1 . 1 62 62 THR H H 1 7.788 0.020 . 1 . . . . . 62 THR H . 52501 1 164 . 1 . 1 62 62 THR CA C 13 61.120 0.3 . 1 . . . . . 62 THR CA . 52501 1 165 . 1 . 1 62 62 THR N N 15 106.951 0.3 . 1 . . . . . 62 THR N . 52501 1 166 . 1 . 1 63 63 GLY H H 1 8.362 0.020 . 1 . . . . . 63 GLY H . 52501 1 167 . 1 . 1 63 63 GLY CA C 13 45.208 0.3 . 1 . . . . . 63 GLY CA . 52501 1 168 . 1 . 1 63 63 GLY N N 15 111.905 0.3 . 1 . . . . . 63 GLY N . 52501 1 169 . 1 . 1 64 64 LYS H H 1 7.533 0.020 . 1 . . . . . 64 LYS H . 52501 1 170 . 1 . 1 64 64 LYS CA C 13 56.801 0.3 . 1 . . . . . 64 LYS CA . 52501 1 171 . 1 . 1 64 64 LYS N N 15 120.591 0.3 . 1 . . . . . 64 LYS N . 52501 1 172 . 1 . 1 65 65 VAL H H 1 8.688 0.020 . 1 . . . . . 65 VAL H . 52501 1 173 . 1 . 1 65 65 VAL CA C 13 59.997 0.3 . 1 . . . . . 65 VAL CA . 52501 1 174 . 1 . 1 65 65 VAL N N 15 127.140 0.3 . 1 . . . . . 65 VAL N . 52501 1 175 . 1 . 1 66 66 THR H H 1 8.655 0.020 . 1 . . . . . 66 THR H . 52501 1 176 . 1 . 1 66 66 THR CA C 13 59.810 0.3 . 1 . . . . . 66 THR CA . 52501 1 177 . 1 . 1 66 66 THR N N 15 119.173 0.3 . 1 . . . . . 66 THR N . 52501 1 178 . 1 . 1 67 67 GLY H H 1 8.314 0.020 . 1 . . . . . 67 GLY H . 52501 1 179 . 1 . 1 67 67 GLY CA C 13 45.550 0.3 . 1 . . . . . 67 GLY CA . 52501 1 180 . 1 . 1 67 67 GLY N N 15 109.770 0.3 . 1 . . . . . 67 GLY N . 52501 1 181 . 1 . 1 68 68 THR H H 1 8.851 0.020 . 1 . . . . . 68 THR H . 52501 1 182 . 1 . 1 68 68 THR CA C 13 60.621 0.3 . 1 . . . . . 68 THR CA . 52501 1 183 . 1 . 1 68 68 THR N N 15 112.869 0.3 . 1 . . . . . 68 THR N . 52501 1 184 . 1 . 1 69 69 LEU H H 1 8.847 0.020 . 1 . . . . . 69 LEU H . 52501 1 185 . 1 . 1 69 69 LEU CA C 13 54.305 0.3 . 1 . . . . . 69 LEU CA . 52501 1 186 . 1 . 1 69 69 LEU N N 15 125.992 0.3 . 1 . . . . . 69 LEU N . 52501 1 187 . 1 . 1 70 70 GLU H H 1 9.179 0.020 . 1 . . . . . 70 GLU H . 52501 1 188 . 1 . 1 70 70 GLU CA C 13 54.614 0.3 . 1 . . . . . 70 GLU CA . 52501 1 189 . 1 . 1 70 70 GLU N N 15 125.018 0.3 . 1 . . . . . 70 GLU N . 52501 1 190 . 1 . 1 71 71 THR H H 1 9.032 0.020 . 1 . . . . . 71 THR H . 52501 1 191 . 1 . 1 71 71 THR CA C 13 59.680 0.3 . 1 . . . . . 71 THR CA . 52501 1 192 . 1 . 1 71 71 THR N N 15 119.124 0.3 . 1 . . . . . 71 THR N . 52501 1 193 . 1 . 1 72 72 LYS H H 1 8.627 0.020 . 1 . . . . . 72 LYS H . 52501 1 194 . 1 . 1 72 72 LYS CA C 13 54.427 0.3 . 1 . . . . . 72 LYS CA . 52501 1 195 . 1 . 1 72 72 LYS N N 15 126.134 0.3 . 1 . . . . . 72 LYS N . 52501 1 196 . 1 . 1 73 73 TYR H H 1 9.126 0.020 . 1 . . . . . 73 TYR H . 52501 1 197 . 1 . 1 73 73 TYR CA C 13 57.738 0.3 . 1 . . . . . 73 TYR CA . 52501 1 198 . 1 . 1 73 73 TYR N N 15 123.203 0.3 . 1 . . . . . 73 TYR N . 52501 1 199 . 1 . 1 74 74 LYS H H 1 7.685 0.020 . 1 . . . . . 74 LYS H . 52501 1 200 . 1 . 1 74 74 LYS CA C 13 54.368 0.3 . 1 . . . . . 74 LYS CA . 52501 1 201 . 1 . 1 74 74 LYS N N 15 128.605 0.3 . 1 . . . . . 74 LYS N . 52501 1 202 . 1 . 1 75 75 TRP H H 1 9.336 0.020 . 1 . . . . . 75 TRP H . 52501 1 203 . 1 . 1 75 75 TRP CA C 13 53.483 0.3 . 1 . . . . . 75 TRP CA . 52501 1 204 . 1 . 1 75 75 TRP N N 15 128.759 0.3 . 1 . . . . . 75 TRP N . 52501 1 205 . 1 . 1 76 76 THR H H 1 8.438 0.020 . 1 . . . . . 76 THR H . 52501 1 206 . 1 . 1 76 76 THR CA C 13 66.485 0.3 . 1 . . . . . 76 THR CA . 52501 1 207 . 1 . 1 76 76 THR N N 15 121.411 0.3 . 1 . . . . . 76 THR N . 52501 1 208 . 1 . 1 77 77 GLU H H 1 9.485 0.020 . 1 . . . . . 77 GLU H . 52501 1 209 . 1 . 1 77 77 GLU CA C 13 58.987 0.3 . 1 . . . . . 77 GLU CA . 52501 1 210 . 1 . 1 77 77 GLU N N 15 122.261 0.3 . 1 . . . . . 77 GLU N . 52501 1 211 . 1 . 1 78 78 TYR H H 1 6.467 0.020 . 1 . . . . . 78 TYR H . 52501 1 212 . 1 . 1 78 78 TYR CA C 13 55.833 0.3 . 1 . . . . . 78 TYR CA . 52501 1 213 . 1 . 1 78 78 TYR N N 15 113.908 0.3 . 1 . . . . . 78 TYR N . 52501 1 214 . 1 . 1 79 79 GLY H H 1 7.521 0.020 . 1 . . . . . 79 GLY H . 52501 1 215 . 1 . 1 79 79 GLY CA C 13 46.728 0.3 . 1 . . . . . 79 GLY CA . 52501 1 216 . 1 . 1 79 79 GLY N N 15 105.380 0.3 . 1 . . . . . 79 GLY N . 52501 1 217 . 1 . 1 80 80 LEU H H 1 7.198 0.020 . 1 . . . . . 80 LEU H . 52501 1 218 . 1 . 1 80 80 LEU CA C 13 53.358 0.3 . 1 . . . . . 80 LEU CA . 52501 1 219 . 1 . 1 80 80 LEU N N 15 120.272 0.3 . 1 . . . . . 80 LEU N . 52501 1 220 . 1 . 1 81 81 THR H H 1 9.058 0.020 . 1 . . . . . 81 THR H . 52501 1 221 . 1 . 1 81 81 THR CA C 13 62.029 0.3 . 1 . . . . . 81 THR CA . 52501 1 222 . 1 . 1 81 81 THR N N 15 120.270 0.3 . 1 . . . . . 81 THR N . 52501 1 223 . 1 . 1 82 82 PHE H H 1 9.255 0.020 . 1 . . . . . 82 PHE H . 52501 1 224 . 1 . 1 82 82 PHE CA C 13 55.795 0.3 . 1 . . . . . 82 PHE CA . 52501 1 225 . 1 . 1 82 82 PHE N N 15 127.785 0.3 . 1 . . . . . 82 PHE N . 52501 1 226 . 1 . 1 83 83 THR H H 1 8.803 0.020 . 1 . . . . . 83 THR H . 52501 1 227 . 1 . 1 83 83 THR CA C 13 61.113 0.3 . 1 . . . . . 83 THR CA . 52501 1 228 . 1 . 1 83 83 THR N N 15 120.648 0.3 . 1 . . . . . 83 THR N . 52501 1 229 . 1 . 1 84 84 ALA H H 1 9.000 0.020 . 1 . . . . . 84 ALA H . 52501 1 230 . 1 . 1 84 84 ALA CA C 13 50.113 0.3 . 1 . . . . . 84 ALA CA . 52501 1 231 . 1 . 1 84 84 ALA N N 15 127.787 0.3 . 1 . . . . . 84 ALA N . 52501 1 232 . 1 . 1 85 85 LYS H H 1 9.131 0.020 . 1 . . . . . 85 LYS H . 52501 1 233 . 1 . 1 85 85 LYS CA C 13 54.539 0.3 . 1 . . . . . 85 LYS CA . 52501 1 234 . 1 . 1 85 85 LYS N N 15 120.416 0.3 . 1 . . . . . 85 LYS N . 52501 1 235 . 1 . 1 86 86 TRP H H 1 9.298 0.020 . 1 . . . . . 86 TRP H . 52501 1 236 . 1 . 1 86 86 TRP CA C 13 54.751 0.3 . 1 . . . . . 86 TRP CA . 52501 1 237 . 1 . 1 86 86 TRP N N 15 124.873 0.3 . 1 . . . . . 86 TRP N . 52501 1 238 . 1 . 1 87 87 ASN H H 1 7.983 0.020 . 1 . . . . . 87 ASN H . 52501 1 239 . 1 . 1 87 87 ASN CA C 13 51.539 0.3 . 1 . . . . . 87 ASN CA . 52501 1 240 . 1 . 1 87 87 ASN N N 15 123.484 0.3 . 1 . . . . . 87 ASN N . 52501 1 241 . 1 . 1 88 88 THR H H 1 8.145 0.020 . 1 . . . . . 88 THR H . 52501 1 242 . 1 . 1 88 88 THR CA C 13 63.863 0.3 . 1 . . . . . 88 THR CA . 52501 1 243 . 1 . 1 88 88 THR N N 15 109.326 0.3 . 1 . . . . . 88 THR N . 52501 1 244 . 1 . 1 89 89 ASP H H 1 7.658 0.020 . 1 . . . . . 89 ASP H . 52501 1 245 . 1 . 1 89 89 ASP CA C 13 53.710 0.3 . 1 . . . . . 89 ASP CA . 52501 1 246 . 1 . 1 89 89 ASP N N 15 120.774 0.3 . 1 . . . . . 89 ASP N . 52501 1 247 . 1 . 1 90 90 ASN H H 1 8.488 0.020 . 1 . . . . . 90 ASN H . 52501 1 248 . 1 . 1 90 90 ASN CA C 13 53.982 0.3 . 1 . . . . . 90 ASN CA . 52501 1 249 . 1 . 1 90 90 ASN N N 15 114.735 0.3 . 1 . . . . . 90 ASN N . 52501 1 250 . 1 . 1 91 91 THR H H 1 7.354 0.020 . 1 . . . . . 91 THR H . 52501 1 251 . 1 . 1 91 91 THR CA C 13 62.122 0.3 . 1 . . . . . 91 THR CA . 52501 1 252 . 1 . 1 91 91 THR N N 15 111.076 0.3 . 1 . . . . . 91 THR N . 52501 1 253 . 1 . 1 92 92 LEU H H 1 8.685 0.020 . 1 . . . . . 92 LEU H . 52501 1 254 . 1 . 1 92 92 LEU CA C 13 52.928 0.3 . 1 . . . . . 92 LEU CA . 52501 1 255 . 1 . 1 92 92 LEU N N 15 125.636 0.3 . 1 . . . . . 92 LEU N . 52501 1 256 . 1 . 1 93 93 GLY H H 1 9.410 0.020 . 1 . . . . . 93 GLY H . 52501 1 257 . 1 . 1 93 93 GLY CA C 13 44.538 0.3 . 1 . . . . . 93 GLY CA . 52501 1 258 . 1 . 1 93 93 GLY N N 15 112.519 0.3 . 1 . . . . . 93 GLY N . 52501 1 259 . 1 . 1 94 94 THR H H 1 8.725 0.020 . 1 . . . . . 94 THR H . 52501 1 260 . 1 . 1 94 94 THR CA C 13 59.655 0.3 . 1 . . . . . 94 THR CA . 52501 1 261 . 1 . 1 94 94 THR N N 15 113.886 0.3 . 1 . . . . . 94 THR N . 52501 1 262 . 1 . 1 95 95 GLU H H 1 8.901 0.020 . 1 . . . . . 95 GLU H . 52501 1 263 . 1 . 1 95 95 GLU CA C 13 54.432 0.3 . 1 . . . . . 95 GLU CA . 52501 1 264 . 1 . 1 95 95 GLU N N 15 123.406 0.3 . 1 . . . . . 95 GLU N . 52501 1 265 . 1 . 1 96 96 ILE H H 1 8.831 0.020 . 1 . . . . . 96 ILE H . 52501 1 266 . 1 . 1 96 96 ILE CA C 13 59.855 0.3 . 1 . . . . . 96 ILE CA . 52501 1 267 . 1 . 1 96 96 ILE N N 15 125.114 0.3 . 1 . . . . . 96 ILE N . 52501 1 268 . 1 . 1 97 97 ALA H H 1 9.061 0.020 . 1 . . . . . 97 ALA H . 52501 1 269 . 1 . 1 97 97 ALA CA C 13 49.800 0.3 . 1 . . . . . 97 ALA CA . 52501 1 270 . 1 . 1 97 97 ALA N N 15 129.972 0.3 . 1 . . . . . 97 ALA N . 52501 1 271 . 1 . 1 98 98 ILE H H 1 9.229 0.020 . 1 . . . . . 98 ILE H . 52501 1 272 . 1 . 1 98 98 ILE CA C 13 59.612 0.3 . 1 . . . . . 98 ILE CA . 52501 1 273 . 1 . 1 98 98 ILE N N 15 119.707 0.3 . 1 . . . . . 98 ILE N . 52501 1 274 . 1 . 1 99 99 GLU H H 1 9.525 0.020 . 1 . . . . . 99 GLU H . 52501 1 275 . 1 . 1 99 99 GLU CA C 13 55.473 0.3 . 1 . . . . . 99 GLU CA . 52501 1 276 . 1 . 1 99 99 GLU N N 15 130.711 0.3 . 1 . . . . . 99 GLU N . 52501 1 277 . 1 . 1 100 100 ASP H H 1 8.561 0.020 . 1 . . . . . 100 ASP H . 52501 1 278 . 1 . 1 100 100 ASP CA C 13 57.117 0.3 . 1 . . . . . 100 ASP CA . 52501 1 279 . 1 . 1 100 100 ASP N N 15 119.568 0.3 . 1 . . . . . 100 ASP N . 52501 1 280 . 1 . 1 101 101 GLN H H 1 8.134 0.020 . 1 . . . . . 101 GLN H . 52501 1 281 . 1 . 1 101 101 GLN CA C 13 57.236 0.3 . 1 . . . . . 101 GLN CA . 52501 1 282 . 1 . 1 101 101 GLN N N 15 117.150 0.3 . 1 . . . . . 101 GLN N . 52501 1 283 . 1 . 1 102 102 ILE H H 1 7.890 0.020 . 1 . . . . . 102 ILE H . 52501 1 284 . 1 . 1 102 102 ILE CA C 13 63.987 0.3 . 1 . . . . . 102 ILE CA . 52501 1 285 . 1 . 1 102 102 ILE N N 15 117.243 0.3 . 1 . . . . . 102 ILE N . 52501 1 286 . 1 . 1 104 104 GLN H H 1 8.968 0.020 . 1 . . . . . 104 GLN H . 52501 1 287 . 1 . 1 104 104 GLN CA C 13 57.497 0.3 . 1 . . . . . 104 GLN CA . 52501 1 288 . 1 . 1 104 104 GLN N N 15 123.786 0.3 . 1 . . . . . 104 GLN N . 52501 1 289 . 1 . 1 105 105 GLY H H 1 9.307 0.020 . 1 . . . . . 105 GLY H . 52501 1 290 . 1 . 1 105 105 GLY CA C 13 45.110 0.3 . 1 . . . . . 105 GLY CA . 52501 1 291 . 1 . 1 105 105 GLY N N 15 115.693 0.3 . 1 . . . . . 105 GLY N . 52501 1 292 . 1 . 1 106 106 LEU H H 1 7.982 0.020 . 1 . . . . . 106 LEU H . 52501 1 293 . 1 . 1 106 106 LEU CA C 13 53.302 0.3 . 1 . . . . . 106 LEU CA . 52501 1 294 . 1 . 1 106 106 LEU N N 15 122.783 0.3 . 1 . . . . . 106 LEU N . 52501 1 295 . 1 . 1 107 107 LYS H H 1 9.584 0.020 . 1 . . . . . 107 LYS H . 52501 1 296 . 1 . 1 107 107 LYS CA C 13 54.931 0.3 . 1 . . . . . 107 LYS CA . 52501 1 297 . 1 . 1 107 107 LYS N N 15 132.836 0.3 . 1 . . . . . 107 LYS N . 52501 1 298 . 1 . 1 108 108 LEU H H 1 8.538 0.020 . 1 . . . . . 108 LEU H . 52501 1 299 . 1 . 1 108 108 LEU CA C 13 52.926 0.3 . 1 . . . . . 108 LEU CA . 52501 1 300 . 1 . 1 108 108 LEU N N 15 129.141 0.3 . 1 . . . . . 108 LEU N . 52501 1 301 . 1 . 1 109 109 THR H H 1 9.160 0.020 . 1 . . . . . 109 THR H . 52501 1 302 . 1 . 1 109 109 THR CA C 13 61.009 0.3 . 1 . . . . . 109 THR CA . 52501 1 303 . 1 . 1 109 109 THR N N 15 119.408 0.3 . 1 . . . . . 109 THR N . 52501 1 304 . 1 . 1 110 110 PHE H H 1 9.297 0.020 . 1 . . . . . 110 PHE H . 52501 1 305 . 1 . 1 110 110 PHE CA C 13 55.969 0.3 . 1 . . . . . 110 PHE CA . 52501 1 306 . 1 . 1 110 110 PHE N N 15 125.119 0.3 . 1 . . . . . 110 PHE N . 52501 1 307 . 1 . 1 111 111 ASP H H 1 8.832 0.020 . 1 . . . . . 111 ASP H . 52501 1 308 . 1 . 1 111 111 ASP CA C 13 52.638 0.3 . 1 . . . . . 111 ASP CA . 52501 1 309 . 1 . 1 111 111 ASP N N 15 127.247 0.3 . 1 . . . . . 111 ASP N . 52501 1 310 . 1 . 1 112 112 THR H H 1 8.650 0.020 . 1 . . . . . 112 THR H . 52501 1 311 . 1 . 1 112 112 THR CA C 13 60.731 0.3 . 1 . . . . . 112 THR CA . 52501 1 312 . 1 . 1 112 112 THR N N 15 117.015 0.3 . 1 . . . . . 112 THR N . 52501 1 313 . 1 . 1 113 113 THR H H 1 8.501 0.020 . 1 . . . . . 113 THR H . 52501 1 314 . 1 . 1 113 113 THR CA C 13 60.857 0.3 . 1 . . . . . 113 THR CA . 52501 1 315 . 1 . 1 113 113 THR N N 15 118.889 0.3 . 1 . . . . . 113 THR N . 52501 1 316 . 1 . 1 114 114 PHE H H 1 9.341 0.020 . 1 . . . . . 114 PHE H . 52501 1 317 . 1 . 1 114 114 PHE CA C 13 55.923 0.3 . 1 . . . . . 114 PHE CA . 52501 1 318 . 1 . 1 114 114 PHE N N 15 123.506 0.3 . 1 . . . . . 114 PHE N . 52501 1 319 . 1 . 1 115 115 SER H H 1 8.137 0.020 . 1 . . . . . 115 SER H . 52501 1 320 . 1 . 1 115 115 SER CA C 13 53.739 0.3 . 1 . . . . . 115 SER CA . 52501 1 321 . 1 . 1 115 115 SER N N 15 120.374 0.3 . 1 . . . . . 115 SER N . 52501 1 322 . 1 . 1 117 117 ASN H H 1 8.281 0.020 . 1 . . . . . 117 ASN H . 52501 1 323 . 1 . 1 117 117 ASN CA C 13 54.635 0.3 . 1 . . . . . 117 ASN CA . 52501 1 324 . 1 . 1 117 117 ASN N N 15 114.706 0.3 . 1 . . . . . 117 ASN N . 52501 1 325 . 1 . 1 119 119 GLY H H 1 8.263 0.020 . 1 . . . . . 119 GLY H . 52501 1 326 . 1 . 1 119 119 GLY CA C 13 45.239 0.3 . 1 . . . . . 119 GLY CA . 52501 1 327 . 1 . 1 119 119 GLY N N 15 111.741 0.3 . 1 . . . . . 119 GLY N . 52501 1 328 . 1 . 1 120 120 LYS H H 1 7.616 0.020 . 1 . . . . . 120 LYS H . 52501 1 329 . 1 . 1 120 120 LYS CA C 13 56.612 0.3 . 1 . . . . . 120 LYS CA . 52501 1 330 . 1 . 1 120 120 LYS N N 15 120.787 0.3 . 1 . . . . . 120 LYS N . 52501 1 331 . 1 . 1 121 121 LYS H H 1 8.472 0.020 . 1 . . . . . 121 LYS H . 52501 1 332 . 1 . 1 121 121 LYS CA C 13 54.678 0.3 . 1 . . . . . 121 LYS CA . 52501 1 333 . 1 . 1 121 121 LYS N N 15 123.412 0.3 . 1 . . . . . 121 LYS N . 52501 1 334 . 1 . 1 122 122 SER H H 1 8.576 0.020 . 1 . . . . . 122 SER H . 52501 1 335 . 1 . 1 122 122 SER CA C 13 57.122 0.3 . 1 . . . . . 122 SER CA . 52501 1 336 . 1 . 1 122 122 SER N N 15 116.035 0.3 . 1 . . . . . 122 SER N . 52501 1 337 . 1 . 1 123 123 GLY H H 1 8.615 0.020 . 1 . . . . . 123 GLY H . 52501 1 338 . 1 . 1 123 123 GLY CA C 13 45.865 0.3 . 1 . . . . . 123 GLY CA . 52501 1 339 . 1 . 1 123 123 GLY N N 15 109.461 0.3 . 1 . . . . . 123 GLY N . 52501 1 340 . 1 . 1 124 124 LYS H H 1 8.963 0.020 . 1 . . . . . 124 LYS H . 52501 1 341 . 1 . 1 124 124 LYS CA C 13 54.878 0.3 . 1 . . . . . 124 LYS CA . 52501 1 342 . 1 . 1 124 124 LYS N N 15 120.777 0.3 . 1 . . . . . 124 LYS N . 52501 1 343 . 1 . 1 125 125 ILE H H 1 8.665 0.020 . 1 . . . . . 125 ILE H . 52501 1 344 . 1 . 1 125 125 ILE CA C 13 59.559 0.3 . 1 . . . . . 125 ILE CA . 52501 1 345 . 1 . 1 125 125 ILE N N 15 120.762 0.3 . 1 . . . . . 125 ILE N . 52501 1 346 . 1 . 1 126 126 LYS H H 1 9.130 0.020 . 1 . . . . . 126 LYS H . 52501 1 347 . 1 . 1 126 126 LYS CA C 13 54.046 0.3 . 1 . . . . . 126 LYS CA . 52501 1 348 . 1 . 1 126 126 LYS N N 15 126.374 0.3 . 1 . . . . . 126 LYS N . 52501 1 349 . 1 . 1 127 127 SER H H 1 9.031 0.020 . 1 . . . . . 127 SER H . 52501 1 350 . 1 . 1 127 127 SER CA C 13 56.625 0.3 . 1 . . . . . 127 SER CA . 52501 1 351 . 1 . 1 127 127 SER N N 15 117.521 0.3 . 1 . . . . . 127 SER N . 52501 1 352 . 1 . 1 128 128 SER H H 1 8.865 0.020 . 1 . . . . . 128 SER H . 52501 1 353 . 1 . 1 128 128 SER CA C 13 56.492 0.3 . 1 . . . . . 128 SER CA . 52501 1 354 . 1 . 1 128 128 SER N N 15 118.448 0.3 . 1 . . . . . 128 SER N . 52501 1 355 . 1 . 1 129 129 TYR H H 1 9.347 0.020 . 1 . . . . . 129 TYR H . 52501 1 356 . 1 . 1 129 129 TYR CA C 13 56.240 0.3 . 1 . . . . . 129 TYR CA . 52501 1 357 . 1 . 1 129 129 TYR N N 15 126.284 0.3 . 1 . . . . . 129 TYR N . 52501 1 358 . 1 . 1 130 130 LYS H H 1 7.785 0.020 . 1 . . . . . 130 LYS H . 52501 1 359 . 1 . 1 130 130 LYS CA C 13 53.429 0.3 . 1 . . . . . 130 LYS CA . 52501 1 360 . 1 . 1 130 130 LYS N N 15 125.291 0.3 . 1 . . . . . 130 LYS N . 52501 1 361 . 1 . 1 131 131 ARG H H 1 8.727 0.020 . 1 . . . . . 131 ARG H . 52501 1 362 . 1 . 1 131 131 ARG CA C 13 53.423 0.3 . 1 . . . . . 131 ARG CA . 52501 1 363 . 1 . 1 131 131 ARG N N 15 119.892 0.3 . 1 . . . . . 131 ARG N . 52501 1 364 . 1 . 1 132 132 GLU H H 1 8.860 0.020 . 1 . . . . . 132 GLU H . 52501 1 365 . 1 . 1 132 132 GLU CA C 13 59.802 0.3 . 1 . . . . . 132 GLU CA . 52501 1 366 . 1 . 1 132 132 GLU N N 15 121.206 0.3 . 1 . . . . . 132 GLU N . 52501 1 367 . 1 . 1 133 133 HIS H H 1 7.923 0.020 . 1 . . . . . 133 HIS H . 52501 1 368 . 1 . 1 133 133 HIS CA C 13 59.543 0.3 . 1 . . . . . 133 HIS CA . 52501 1 369 . 1 . 1 133 133 HIS N N 15 111.441 0.3 . 1 . . . . . 133 HIS N . 52501 1 370 . 1 . 1 134 134 ILE H H 1 8.097 0.020 . 1 . . . . . 134 ILE H . 52501 1 371 . 1 . 1 134 134 ILE CA C 13 59.788 0.3 . 1 . . . . . 134 ILE CA . 52501 1 372 . 1 . 1 134 134 ILE N N 15 118.365 0.3 . 1 . . . . . 134 ILE N . 52501 1 373 . 1 . 1 135 135 ASN H H 1 8.661 0.020 . 1 . . . . . 135 ASN H . 52501 1 374 . 1 . 1 135 135 ASN CA C 13 52.555 0.3 . 1 . . . . . 135 ASN CA . 52501 1 375 . 1 . 1 135 135 ASN N N 15 124.616 0.3 . 1 . . . . . 135 ASN N . 52501 1 376 . 1 . 1 136 136 LEU H H 1 9.427 0.020 . 1 . . . . . 136 LEU H . 52501 1 377 . 1 . 1 136 136 LEU CA C 13 52.741 0.3 . 1 . . . . . 136 LEU CA . 52501 1 378 . 1 . 1 136 136 LEU N N 15 126.649 0.3 . 1 . . . . . 136 LEU N . 52501 1 379 . 1 . 1 137 137 GLY H H 1 9.177 0.020 . 1 . . . . . 137 GLY H . 52501 1 380 . 1 . 1 137 137 GLY CA C 13 44.802 0.3 . 1 . . . . . 137 GLY CA . 52501 1 381 . 1 . 1 137 137 GLY N N 15 110.673 0.3 . 1 . . . . . 137 GLY N . 52501 1 382 . 1 . 1 138 138 SER H H 1 8.427 0.020 . 1 . . . . . 138 SER H . 52501 1 383 . 1 . 1 138 138 SER CA C 13 57.607 0.3 . 1 . . . . . 138 SER CA . 52501 1 384 . 1 . 1 138 138 SER N N 15 114.163 0.3 . 1 . . . . . 138 SER N . 52501 1 385 . 1 . 1 139 139 ASP H H 1 8.755 0.020 . 1 . . . . . 139 ASP H . 52501 1 386 . 1 . 1 139 139 ASP CA C 13 53.098 0.3 . 1 . . . . . 139 ASP CA . 52501 1 387 . 1 . 1 139 139 ASP N N 15 123.282 0.3 . 1 . . . . . 139 ASP N . 52501 1 388 . 1 . 1 140 140 VAL H H 1 8.876 0.020 . 1 . . . . . 140 VAL H . 52501 1 389 . 1 . 1 140 140 VAL CA C 13 60.202 0.3 . 1 . . . . . 140 VAL CA . 52501 1 390 . 1 . 1 140 140 VAL N N 15 120.344 0.3 . 1 . . . . . 140 VAL N . 52501 1 391 . 1 . 1 141 141 ASP H H 1 8.365 0.020 . 1 . . . . . 141 ASP H . 52501 1 392 . 1 . 1 141 141 ASP CA C 13 53.297 0.3 . 1 . . . . . 141 ASP CA . 52501 1 393 . 1 . 1 141 141 ASP N N 15 126.201 0.3 . 1 . . . . . 141 ASP N . 52501 1 394 . 1 . 1 142 142 PHE H H 1 8.374 0.020 . 1 . . . . . 142 PHE H . 52501 1 395 . 1 . 1 142 142 PHE CA C 13 57.427 0.3 . 1 . . . . . 142 PHE CA . 52501 1 396 . 1 . 1 142 142 PHE N N 15 121.914 0.3 . 1 . . . . . 142 PHE N . 52501 1 397 . 1 . 1 143 143 ASP H H 1 7.486 0.020 . 1 . . . . . 143 ASP H . 52501 1 398 . 1 . 1 143 143 ASP CA C 13 53.665 0.3 . 1 . . . . . 143 ASP CA . 52501 1 399 . 1 . 1 143 143 ASP N N 15 121.780 0.3 . 1 . . . . . 143 ASP N . 52501 1 400 . 1 . 1 144 144 PHE H H 1 8.344 0.020 . 1 . . . . . 144 PHE H . 52501 1 401 . 1 . 1 144 144 PHE CA C 13 58.687 0.3 . 1 . . . . . 144 PHE CA . 52501 1 402 . 1 . 1 144 144 PHE N N 15 121.377 0.3 . 1 . . . . . 144 PHE N . 52501 1 403 . 1 . 1 145 145 ALA H H 1 8.322 0.020 . 1 . . . . . 145 ALA H . 52501 1 404 . 1 . 1 145 145 ALA CA C 13 52.612 0.3 . 1 . . . . . 145 ALA CA . 52501 1 405 . 1 . 1 145 145 ALA N N 15 121.430 0.3 . 1 . . . . . 145 ALA N . 52501 1 406 . 1 . 1 146 146 GLY H H 1 7.640 0.020 . 1 . . . . . 146 GLY H . 52501 1 407 . 1 . 1 146 146 GLY CA C 13 44.535 0.3 . 1 . . . . . 146 GLY CA . 52501 1 408 . 1 . 1 146 146 GLY N N 15 106.178 0.3 . 1 . . . . . 146 GLY N . 52501 1 409 . 1 . 1 148 148 ALA H H 1 8.554 0.020 . 1 . . . . . 148 ALA H . 52501 1 410 . 1 . 1 148 148 ALA CA C 13 51.172 0.3 . 1 . . . . . 148 ALA CA . 52501 1 411 . 1 . 1 148 148 ALA N N 15 126.092 0.3 . 1 . . . . . 148 ALA N . 52501 1 412 . 1 . 1 149 149 ILE H H 1 8.564 0.020 . 1 . . . . . 149 ILE H . 52501 1 413 . 1 . 1 149 149 ILE CA C 13 59.736 0.3 . 1 . . . . . 149 ILE CA . 52501 1 414 . 1 . 1 149 149 ILE N N 15 121.508 0.3 . 1 . . . . . 149 ILE N . 52501 1 415 . 1 . 1 150 150 HIS H H 1 8.899 0.020 . 1 . . . . . 150 HIS H . 52501 1 416 . 1 . 1 150 150 HIS CA C 13 53.855 0.3 . 1 . . . . . 150 HIS CA . 52501 1 417 . 1 . 1 150 150 HIS N N 15 126.356 0.3 . 1 . . . . . 150 HIS N . 52501 1 418 . 1 . 1 151 151 GLY H H 1 8.441 0.020 . 1 . . . . . 151 GLY H . 52501 1 419 . 1 . 1 151 151 GLY CA C 13 44.667 0.3 . 1 . . . . . 151 GLY CA . 52501 1 420 . 1 . 1 151 151 GLY N N 15 110.398 0.3 . 1 . . . . . 151 GLY N . 52501 1 421 . 1 . 1 152 152 SER H H 1 9.281 0.020 . 1 . . . . . 152 SER H . 52501 1 422 . 1 . 1 152 152 SER CA C 13 56.893 0.3 . 1 . . . . . 152 SER CA . 52501 1 423 . 1 . 1 152 152 SER N N 15 115.388 0.3 . 1 . . . . . 152 SER N . 52501 1 424 . 1 . 1 153 153 ALA H H 1 9.203 0.020 . 1 . . . . . 153 ALA H . 52501 1 425 . 1 . 1 153 153 ALA CA C 13 50.967 0.3 . 1 . . . . . 153 ALA CA . 52501 1 426 . 1 . 1 153 153 ALA N N 15 122.790 0.3 . 1 . . . . . 153 ALA N . 52501 1 427 . 1 . 1 154 154 VAL H H 1 8.626 0.020 . 1 . . . . . 154 VAL H . 52501 1 428 . 1 . 1 154 154 VAL CA C 13 60.873 0.3 . 1 . . . . . 154 VAL CA . 52501 1 429 . 1 . 1 154 154 VAL N N 15 121.268 0.3 . 1 . . . . . 154 VAL N . 52501 1 430 . 1 . 1 155 155 PHE H H 1 9.330 0.020 . 1 . . . . . 155 PHE H . 52501 1 431 . 1 . 1 155 155 PHE CA C 13 54.493 0.3 . 1 . . . . . 155 PHE CA . 52501 1 432 . 1 . 1 155 155 PHE N N 15 124.813 0.3 . 1 . . . . . 155 PHE N . 52501 1 433 . 1 . 1 156 156 GLY H H 1 8.274 0.020 . 1 . . . . . 156 GLY H . 52501 1 434 . 1 . 1 156 156 GLY CA C 13 44.491 0.3 . 1 . . . . . 156 GLY CA . 52501 1 435 . 1 . 1 156 156 GLY N N 15 106.758 0.3 . 1 . . . . . 156 GLY N . 52501 1 436 . 1 . 1 157 157 TYR H H 1 8.391 0.020 . 1 . . . . . 157 TYR H . 52501 1 437 . 1 . 1 157 157 TYR CA C 13 58.924 0.3 . 1 . . . . . 157 TYR CA . 52501 1 438 . 1 . 1 157 157 TYR N N 15 122.265 0.3 . 1 . . . . . 157 TYR N . 52501 1 439 . 1 . 1 158 158 GLU H H 1 9.207 0.020 . 1 . . . . . 158 GLU H . 52501 1 440 . 1 . 1 158 158 GLU CA C 13 57.115 0.3 . 1 . . . . . 158 GLU CA . 52501 1 441 . 1 . 1 158 158 GLU N N 15 126.137 0.3 . 1 . . . . . 158 GLU N . 52501 1 442 . 1 . 1 159 159 GLY H H 1 8.243 0.020 . 1 . . . . . 159 GLY H . 52501 1 443 . 1 . 1 159 159 GLY CA C 13 45.490 0.3 . 1 . . . . . 159 GLY CA . 52501 1 444 . 1 . 1 159 159 GLY N N 15 109.386 0.3 . 1 . . . . . 159 GLY N . 52501 1 445 . 1 . 1 160 160 TRP H H 1 8.047 0.020 . 1 . . . . . 160 TRP H . 52501 1 446 . 1 . 1 160 160 TRP CA C 13 55.935 0.3 . 1 . . . . . 160 TRP CA . 52501 1 447 . 1 . 1 160 160 TRP N N 15 121.183 0.3 . 1 . . . . . 160 TRP N . 52501 1 448 . 1 . 1 161 161 LEU H H 1 8.958 0.020 . 1 . . . . . 161 LEU H . 52501 1 449 . 1 . 1 161 161 LEU CA C 13 53.544 0.3 . 1 . . . . . 161 LEU CA . 52501 1 450 . 1 . 1 161 161 LEU N N 15 123.375 0.3 . 1 . . . . . 161 LEU N . 52501 1 451 . 1 . 1 162 162 ALA H H 1 8.920 0.020 . 1 . . . . . 162 ALA H . 52501 1 452 . 1 . 1 162 162 ALA CA C 13 50.922 0.3 . 1 . . . . . 162 ALA CA . 52501 1 453 . 1 . 1 162 162 ALA N N 15 121.854 0.3 . 1 . . . . . 162 ALA N . 52501 1 454 . 1 . 1 163 163 GLY H H 1 9.726 0.020 . 1 . . . . . 163 GLY H . 52501 1 455 . 1 . 1 163 163 GLY CA C 13 45.487 0.3 . 1 . . . . . 163 GLY CA . 52501 1 456 . 1 . 1 163 163 GLY N N 15 108.130 0.3 . 1 . . . . . 163 GLY N . 52501 1 457 . 1 . 1 164 164 TYR H H 1 9.238 0.020 . 1 . . . . . 164 TYR H . 52501 1 458 . 1 . 1 164 164 TYR CA C 13 54.797 0.3 . 1 . . . . . 164 TYR CA . 52501 1 459 . 1 . 1 164 164 TYR N N 15 121.958 0.3 . 1 . . . . . 164 TYR N . 52501 1 460 . 1 . 1 165 165 GLN H H 1 8.331 0.020 . 1 . . . . . 165 GLN H . 52501 1 461 . 1 . 1 165 165 GLN CA C 13 53.365 0.3 . 1 . . . . . 165 GLN CA . 52501 1 462 . 1 . 1 165 165 GLN N N 15 128.330 0.3 . 1 . . . . . 165 GLN N . 52501 1 463 . 1 . 1 167 167 THR H H 1 7.653 0.020 . 1 . . . . . 167 THR H . 52501 1 464 . 1 . 1 167 167 THR CA C 13 62.676 0.3 . 1 . . . . . 167 THR CA . 52501 1 465 . 1 . 1 167 167 THR N N 15 117.725 0.3 . 1 . . . . . 167 THR N . 52501 1 466 . 1 . 1 168 168 PHE H H 1 9.536 0.020 . 1 . . . . . 168 PHE H . 52501 1 467 . 1 . 1 168 168 PHE CA C 13 55.925 0.3 . 1 . . . . . 168 PHE CA . 52501 1 468 . 1 . 1 168 168 PHE N N 15 127.783 0.3 . 1 . . . . . 168 PHE N . 52501 1 469 . 1 . 1 169 169 ASP H H 1 8.338 0.020 . 1 . . . . . 169 ASP H . 52501 1 470 . 1 . 1 169 169 ASP CA C 13 52.325 0.3 . 1 . . . . . 169 ASP CA . 52501 1 471 . 1 . 1 169 169 ASP N N 15 128.185 0.3 . 1 . . . . . 169 ASP N . 52501 1 472 . 1 . 1 170 170 SER H H 1 7.837 0.020 . 1 . . . . . 170 SER H . 52501 1 473 . 1 . 1 170 170 SER CA C 13 60.860 0.3 . 1 . . . . . 170 SER CA . 52501 1 474 . 1 . 1 170 170 SER N N 15 120.766 0.3 . 1 . . . . . 170 SER N . 52501 1 475 . 1 . 1 172 172 LYS H H 1 7.305 0.020 . 1 . . . . . 172 LYS H . 52501 1 476 . 1 . 1 172 172 LYS CA C 13 55.117 0.3 . 1 . . . . . 172 LYS CA . 52501 1 477 . 1 . 1 172 172 LYS N N 15 115.510 0.3 . 1 . . . . . 172 LYS N . 52501 1 478 . 1 . 1 173 173 SER H H 1 7.671 0.020 . 1 . . . . . 173 SER H . 52501 1 479 . 1 . 1 173 173 SER CA C 13 58.302 0.3 . 1 . . . . . 173 SER CA . 52501 1 480 . 1 . 1 173 173 SER N N 15 115.021 0.3 . 1 . . . . . 173 SER N . 52501 1 481 . 1 . 1 176 176 THR H H 1 8.274 0.020 . 1 . . . . . 176 THR H . 52501 1 482 . 1 . 1 176 176 THR CA C 13 61.458 0.3 . 1 . . . . . 176 THR CA . 52501 1 483 . 1 . 1 176 176 THR N N 15 116.109 0.3 . 1 . . . . . 176 THR N . 52501 1 484 . 1 . 1 178 178 ASN H H 1 8.518 0.020 . 1 . . . . . 178 ASN H . 52501 1 485 . 1 . 1 178 178 ASN CA C 13 53.239 0.3 . 1 . . . . . 178 ASN CA . 52501 1 486 . 1 . 1 178 178 ASN N N 15 122.864 0.3 . 1 . . . . . 178 ASN N . 52501 1 487 . 1 . 1 179 179 ASN H H 1 9.191 0.020 . 1 . . . . . 179 ASN H . 52501 1 488 . 1 . 1 179 179 ASN CA C 13 51.239 0.3 . 1 . . . . . 179 ASN CA . 52501 1 489 . 1 . 1 179 179 ASN N N 15 125.817 0.3 . 1 . . . . . 179 ASN N . 52501 1 490 . 1 . 1 180 180 PHE H H 1 8.639 0.020 . 1 . . . . . 180 PHE H . 52501 1 491 . 1 . 1 180 180 PHE CA C 13 56.170 0.3 . 1 . . . . . 180 PHE CA . 52501 1 492 . 1 . 1 180 180 PHE N N 15 118.008 0.3 . 1 . . . . . 180 PHE N . 52501 1 493 . 1 . 1 181 181 ALA H H 1 8.844 0.020 . 1 . . . . . 181 ALA H . 52501 1 494 . 1 . 1 181 181 ALA CA C 13 51.077 0.3 . 1 . . . . . 181 ALA CA . 52501 1 495 . 1 . 1 181 181 ALA N N 15 121.346 0.3 . 1 . . . . . 181 ALA N . 52501 1 496 . 1 . 1 182 182 VAL H H 1 8.325 0.020 . 1 . . . . . 182 VAL H . 52501 1 497 . 1 . 1 182 182 VAL CA C 13 60.252 0.3 . 1 . . . . . 182 VAL CA . 52501 1 498 . 1 . 1 182 182 VAL N N 15 117.268 0.3 . 1 . . . . . 182 VAL N . 52501 1 499 . 1 . 1 183 183 GLY H H 1 9.489 0.020 . 1 . . . . . 183 GLY H . 52501 1 500 . 1 . 1 183 183 GLY CA C 13 45.348 0.3 . 1 . . . . . 183 GLY CA . 52501 1 501 . 1 . 1 183 183 GLY N N 15 113.363 0.3 . 1 . . . . . 183 GLY N . 52501 1 502 . 1 . 1 184 184 TYR H H 1 8.456 0.020 . 1 . . . . . 184 TYR H . 52501 1 503 . 1 . 1 184 184 TYR CA C 13 56.763 0.3 . 1 . . . . . 184 TYR CA . 52501 1 504 . 1 . 1 184 184 TYR N N 15 118.711 0.3 . 1 . . . . . 184 TYR N . 52501 1 505 . 1 . 1 185 185 ARG H H 1 8.444 0.020 . 1 . . . . . 185 ARG H . 52501 1 506 . 1 . 1 185 185 ARG CA C 13 54.107 0.3 . 1 . . . . . 185 ARG CA . 52501 1 507 . 1 . 1 185 185 ARG N N 15 126.447 0.3 . 1 . . . . . 185 ARG N . 52501 1 508 . 1 . 1 186 186 THR H H 1 8.815 0.020 . 1 . . . . . 186 THR H . 52501 1 509 . 1 . 1 186 186 THR CA C 13 59.473 0.3 . 1 . . . . . 186 THR CA . 52501 1 510 . 1 . 1 186 186 THR N N 15 115.797 0.3 . 1 . . . . . 186 THR N . 52501 1 511 . 1 . 1 187 187 GLY H H 1 8.648 0.020 . 1 . . . . . 187 GLY H . 52501 1 512 . 1 . 1 187 187 GLY CA C 13 47.169 0.3 . 1 . . . . . 187 GLY CA . 52501 1 513 . 1 . 1 187 187 GLY N N 15 109.234 0.3 . 1 . . . . . 187 GLY N . 52501 1 514 . 1 . 1 189 189 PHE H H 1 7.450 0.020 . 1 . . . . . 189 PHE H . 52501 1 515 . 1 . 1 189 189 PHE CA C 13 56.109 0.3 . 1 . . . . . 189 PHE CA . 52501 1 516 . 1 . 1 189 189 PHE N N 15 120.457 0.3 . 1 . . . . . 189 PHE N . 52501 1 517 . 1 . 1 190 190 GLN H H 1 8.622 0.020 . 1 . . . . . 190 GLN H . 52501 1 518 . 1 . 1 190 190 GLN CA C 13 54.163 0.3 . 1 . . . . . 190 GLN CA . 52501 1 519 . 1 . 1 190 190 GLN N N 15 121.641 0.3 . 1 . . . . . 190 GLN N . 52501 1 520 . 1 . 1 191 191 LEU H H 1 9.290 0.020 . 1 . . . . . 191 LEU H . 52501 1 521 . 1 . 1 191 191 LEU CA C 13 53.295 0.3 . 1 . . . . . 191 LEU CA . 52501 1 522 . 1 . 1 191 191 LEU N N 15 127.524 0.3 . 1 . . . . . 191 LEU N . 52501 1 523 . 1 . 1 192 192 HIS H H 1 9.151 0.020 . 1 . . . . . 192 HIS H . 52501 1 524 . 1 . 1 192 192 HIS N N 15 129.184 0.3 . 1 . . . . . 192 HIS N . 52501 1 525 . 1 . 1 194 194 ASN H H 1 8.954 0.020 . 1 . . . . . 194 ASN H . 52501 1 526 . 1 . 1 194 194 ASN CA C 13 53.230 0.3 . 1 . . . . . 194 ASN CA . 52501 1 527 . 1 . 1 194 194 ASN N N 15 116.755 0.3 . 1 . . . . . 194 ASN N . 52501 1 528 . 1 . 1 195 195 VAL H H 1 9.023 0.020 . 1 . . . . . 195 VAL H . 52501 1 529 . 1 . 1 195 195 VAL CA C 13 59.808 0.3 . 1 . . . . . 195 VAL CA . 52501 1 530 . 1 . 1 195 195 VAL N N 15 117.635 0.3 . 1 . . . . . 195 VAL N . 52501 1 531 . 1 . 1 196 196 ASN H H 1 9.410 0.020 . 1 . . . . . 196 ASN H . 52501 1 532 . 1 . 1 196 196 ASN CA C 13 51.245 0.3 . 1 . . . . . 196 ASN CA . 52501 1 533 . 1 . 1 196 196 ASN N N 15 129.816 0.3 . 1 . . . . . 196 ASN N . 52501 1 534 . 1 . 1 197 197 ASP H H 1 8.857 0.020 . 1 . . . . . 197 ASP H . 52501 1 535 . 1 . 1 197 197 ASP CA C 13 55.920 0.3 . 1 . . . . . 197 ASP CA . 52501 1 536 . 1 . 1 197 197 ASP N N 15 125.023 0.3 . 1 . . . . . 197 ASP N . 52501 1 537 . 1 . 1 198 198 GLY H H 1 8.791 0.020 . 1 . . . . . 198 GLY H . 52501 1 538 . 1 . 1 198 198 GLY CA C 13 46.168 0.3 . 1 . . . . . 198 GLY CA . 52501 1 539 . 1 . 1 198 198 GLY N N 15 105.032 0.3 . 1 . . . . . 198 GLY N . 52501 1 540 . 1 . 1 199 199 THR H H 1 7.585 0.020 . 1 . . . . . 199 THR H . 52501 1 541 . 1 . 1 199 199 THR CA C 13 62.238 0.3 . 1 . . . . . 199 THR CA . 52501 1 542 . 1 . 1 199 199 THR N N 15 108.810 0.3 . 1 . . . . . 199 THR N . 52501 1 543 . 1 . 1 200 200 GLU H H 1 7.605 0.020 . 1 . . . . . 200 GLU H . 52501 1 544 . 1 . 1 200 200 GLU CA C 13 54.618 0.3 . 1 . . . . . 200 GLU CA . 52501 1 545 . 1 . 1 200 200 GLU N N 15 123.569 0.3 . 1 . . . . . 200 GLU N . 52501 1 546 . 1 . 1 201 201 PHE H H 1 9.025 0.020 . 1 . . . . . 201 PHE H . 52501 1 547 . 1 . 1 201 201 PHE CA C 13 56.143 0.3 . 1 . . . . . 201 PHE CA . 52501 1 548 . 1 . 1 201 201 PHE N N 15 125.907 0.3 . 1 . . . . . 201 PHE N . 52501 1 549 . 1 . 1 202 202 GLY H H 1 8.746 0.020 . 1 . . . . . 202 GLY H . 52501 1 550 . 1 . 1 202 202 GLY CA C 13 44.420 0.3 . 1 . . . . . 202 GLY CA . 52501 1 551 . 1 . 1 202 202 GLY N N 15 110.893 0.3 . 1 . . . . . 202 GLY N . 52501 1 552 . 1 . 1 203 203 GLY H H 1 8.626 0.020 . 1 . . . . . 203 GLY H . 52501 1 553 . 1 . 1 203 203 GLY CA C 13 45.667 0.3 . 1 . . . . . 203 GLY CA . 52501 1 554 . 1 . 1 203 203 GLY N N 15 105.462 0.3 . 1 . . . . . 203 GLY N . 52501 1 555 . 1 . 1 204 204 SER H H 1 9.740 0.020 . 1 . . . . . 204 SER H . 52501 1 556 . 1 . 1 204 204 SER CA C 13 56.339 0.3 . 1 . . . . . 204 SER CA . 52501 1 557 . 1 . 1 204 204 SER N N 15 114.373 0.3 . 1 . . . . . 204 SER N . 52501 1 558 . 1 . 1 205 205 ILE H H 1 8.812 0.020 . 1 . . . . . 205 ILE H . 52501 1 559 . 1 . 1 205 205 ILE CA C 13 59.424 0.3 . 1 . . . . . 205 ILE CA . 52501 1 560 . 1 . 1 205 205 ILE N N 15 118.535 0.3 . 1 . . . . . 205 ILE N . 52501 1 561 . 1 . 1 206 206 TYR H H 1 8.864 0.020 . 1 . . . . . 206 TYR H . 52501 1 562 . 1 . 1 206 206 TYR CA C 13 55.921 0.3 . 1 . . . . . 206 TYR CA . 52501 1 563 . 1 . 1 206 206 TYR N N 15 128.835 0.3 . 1 . . . . . 206 TYR N . 52501 1 564 . 1 . 1 207 207 GLN H H 1 8.106 0.020 . 1 . . . . . 207 GLN H . 52501 1 565 . 1 . 1 207 207 GLN CA C 13 53.416 0.3 . 1 . . . . . 207 GLN CA . 52501 1 566 . 1 . 1 207 207 GLN N N 15 125.919 0.3 . 1 . . . . . 207 GLN N . 52501 1 567 . 1 . 1 208 208 LYS H H 1 8.726 0.020 . 1 . . . . . 208 LYS H . 52501 1 568 . 1 . 1 208 208 LYS CA C 13 55.930 0.3 . 1 . . . . . 208 LYS CA . 52501 1 569 . 1 . 1 208 208 LYS N N 15 131.367 0.3 . 1 . . . . . 208 LYS N . 52501 1 570 . 1 . 1 209 209 VAL H H 1 8.902 0.020 . 1 . . . . . 209 VAL H . 52501 1 571 . 1 . 1 209 209 VAL CA C 13 65.161 0.3 . 1 . . . . . 209 VAL CA . 52501 1 572 . 1 . 1 209 209 VAL N N 15 132.377 0.3 . 1 . . . . . 209 VAL N . 52501 1 573 . 1 . 1 210 210 ASN H H 1 8.134 0.020 . 1 . . . . . 210 ASN H . 52501 1 574 . 1 . 1 210 210 ASN CA C 13 51.863 0.3 . 1 . . . . . 210 ASN CA . 52501 1 575 . 1 . 1 210 210 ASN N N 15 113.813 0.3 . 1 . . . . . 210 ASN N . 52501 1 576 . 1 . 1 211 211 GLU H H 1 8.841 0.020 . 1 . . . . . 211 GLU H . 52501 1 577 . 1 . 1 211 211 GLU CA C 13 58.998 0.3 . 1 . . . . . 211 GLU CA . 52501 1 578 . 1 . 1 211 211 GLU N N 15 115.954 0.3 . 1 . . . . . 211 GLU N . 52501 1 579 . 1 . 1 212 212 ASP H H 1 8.035 0.020 . 1 . . . . . 212 ASP H . 52501 1 580 . 1 . 1 212 212 ASP CA C 13 53.987 0.3 . 1 . . . . . 212 ASP CA . 52501 1 581 . 1 . 1 212 212 ASP N N 15 114.909 0.3 . 1 . . . . . 212 ASP N . 52501 1 582 . 1 . 1 213 213 LEU H H 1 7.419 0.020 . 1 . . . . . 213 LEU H . 52501 1 583 . 1 . 1 213 213 LEU CA C 13 54.415 0.3 . 1 . . . . . 213 LEU CA . 52501 1 584 . 1 . 1 213 213 LEU N N 15 123.196 0.3 . 1 . . . . . 213 LEU N . 52501 1 585 . 1 . 1 214 214 ASP H H 1 8.877 0.020 . 1 . . . . . 214 ASP H . 52501 1 586 . 1 . 1 214 214 ASP CA C 13 52.736 0.3 . 1 . . . . . 214 ASP CA . 52501 1 587 . 1 . 1 214 214 ASP N N 15 127.486 0.3 . 1 . . . . . 214 ASP N . 52501 1 588 . 1 . 1 215 215 THR H H 1 8.188 0.020 . 1 . . . . . 215 THR H . 52501 1 589 . 1 . 1 215 215 THR CA C 13 59.740 0.3 . 1 . . . . . 215 THR CA . 52501 1 590 . 1 . 1 215 215 THR N N 15 110.639 0.3 . 1 . . . . . 215 THR N . 52501 1 591 . 1 . 1 216 216 SER H H 1 9.039 0.020 . 1 . . . . . 216 SER H . 52501 1 592 . 1 . 1 216 216 SER CA C 13 56.606 0.3 . 1 . . . . . 216 SER CA . 52501 1 593 . 1 . 1 216 216 SER N N 15 116.724 0.3 . 1 . . . . . 216 SER N . 52501 1 594 . 1 . 1 217 217 VAL H H 1 8.776 0.020 . 1 . . . . . 217 VAL H . 52501 1 595 . 1 . 1 217 217 VAL CA C 13 59.435 0.3 . 1 . . . . . 217 VAL CA . 52501 1 596 . 1 . 1 217 217 VAL N N 15 119.701 0.3 . 1 . . . . . 217 VAL N . 52501 1 597 . 1 . 1 218 218 ASN H H 1 8.881 0.020 . 1 . . . . . 218 ASN H . 52501 1 598 . 1 . 1 218 218 ASN CA C 13 51.982 0.3 . 1 . . . . . 218 ASN CA . 52501 1 599 . 1 . 1 218 218 ASN N N 15 122.193 0.3 . 1 . . . . . 218 ASN N . 52501 1 600 . 1 . 1 219 219 LEU H H 1 8.632 0.020 . 1 . . . . . 219 LEU H . 52501 1 601 . 1 . 1 219 219 LEU CA C 13 54.239 0.3 . 1 . . . . . 219 LEU CA . 52501 1 602 . 1 . 1 219 219 LEU N N 15 120.689 0.3 . 1 . . . . . 219 LEU N . 52501 1 603 . 1 . 1 220 220 ALA H H 1 9.256 0.020 . 1 . . . . . 220 ALA H . 52501 1 604 . 1 . 1 220 220 ALA CA C 13 51.800 0.3 . 1 . . . . . 220 ALA CA . 52501 1 605 . 1 . 1 220 220 ALA N N 15 126.643 0.3 . 1 . . . . . 220 ALA N . 52501 1 606 . 1 . 1 221 221 TRP H H 1 9.115 0.020 . 1 . . . . . 221 TRP H . 52501 1 607 . 1 . 1 221 221 TRP CA C 13 57.418 0.3 . 1 . . . . . 221 TRP CA . 52501 1 608 . 1 . 1 221 221 TRP N N 15 121.827 0.3 . 1 . . . . . 221 TRP N . 52501 1 609 . 1 . 1 222 222 THR H H 1 7.716 0.020 . 1 . . . . . 222 THR H . 52501 1 610 . 1 . 1 222 222 THR CA C 13 60.474 0.3 . 1 . . . . . 222 THR CA . 52501 1 611 . 1 . 1 222 222 THR N N 15 123.021 0.3 . 1 . . . . . 222 THR N . 52501 1 612 . 1 . 1 223 223 SER H H 1 8.657 0.020 . 1 . . . . . 223 SER H . 52501 1 613 . 1 . 1 223 223 SER CA C 13 59.358 0.3 . 1 . . . . . 223 SER CA . 52501 1 614 . 1 . 1 223 223 SER N N 15 121.898 0.3 . 1 . . . . . 223 SER N . 52501 1 615 . 1 . 1 224 224 GLY H H 1 8.505 0.020 . 1 . . . . . 224 GLY H . 52501 1 616 . 1 . 1 224 224 GLY CA C 13 45.360 0.3 . 1 . . . . . 224 GLY CA . 52501 1 617 . 1 . 1 224 224 GLY N N 15 112.379 0.3 . 1 . . . . . 224 GLY N . 52501 1 618 . 1 . 1 225 225 THR H H 1 7.445 0.020 . 1 . . . . . 225 THR H . 52501 1 619 . 1 . 1 225 225 THR CA C 13 60.429 0.3 . 1 . . . . . 225 THR CA . 52501 1 620 . 1 . 1 225 225 THR N N 15 109.820 0.3 . 1 . . . . . 225 THR N . 52501 1 621 . 1 . 1 227 227 ASN H H 1 7.925 0.020 . 1 . . . . . 227 ASN H . 52501 1 622 . 1 . 1 227 227 ASN CA C 13 52.967 0.3 . 1 . . . . . 227 ASN CA . 52501 1 623 . 1 . 1 227 227 ASN N N 15 118.528 0.3 . 1 . . . . . 227 ASN N . 52501 1 624 . 1 . 1 228 228 THR H H 1 8.353 0.020 . 1 . . . . . 228 THR H . 52501 1 625 . 1 . 1 228 228 THR CA C 13 62.479 0.3 . 1 . . . . . 228 THR CA . 52501 1 626 . 1 . 1 228 228 THR N N 15 120.775 0.3 . 1 . . . . . 228 THR N . 52501 1 627 . 1 . 1 229 229 ARG H H 1 9.255 0.020 . 1 . . . . . 229 ARG H . 52501 1 628 . 1 . 1 229 229 ARG CA C 13 54.731 0.3 . 1 . . . . . 229 ARG CA . 52501 1 629 . 1 . 1 229 229 ARG N N 15 126.794 0.3 . 1 . . . . . 229 ARG N . 52501 1 630 . 1 . 1 230 230 PHE H H 1 7.994 0.020 . 1 . . . . . 230 PHE H . 52501 1 631 . 1 . 1 230 230 PHE CA C 13 55.863 0.3 . 1 . . . . . 230 PHE CA . 52501 1 632 . 1 . 1 230 230 PHE N N 15 118.459 0.3 . 1 . . . . . 230 PHE N . 52501 1 633 . 1 . 1 231 231 GLY H H 1 8.506 0.020 . 1 . . . . . 231 GLY H . 52501 1 634 . 1 . 1 231 231 GLY CA C 13 45.227 0.3 . 1 . . . . . 231 GLY CA . 52501 1 635 . 1 . 1 231 231 GLY N N 15 107.394 0.3 . 1 . . . . . 231 GLY N . 52501 1 636 . 1 . 1 232 232 ILE H H 1 8.753 0.020 . 1 . . . . . 232 ILE H . 52501 1 637 . 1 . 1 232 232 ILE CA C 13 59.424 0.3 . 1 . . . . . 232 ILE CA . 52501 1 638 . 1 . 1 232 232 ILE N N 15 118.297 0.3 . 1 . . . . . 232 ILE N . 52501 1 639 . 1 . 1 233 233 ALA H H 1 8.892 0.020 . 1 . . . . . 233 ALA H . 52501 1 640 . 1 . 1 233 233 ALA CA C 13 50.046 0.3 . 1 . . . . . 233 ALA CA . 52501 1 641 . 1 . 1 233 233 ALA N N 15 126.090 0.3 . 1 . . . . . 233 ALA N . 52501 1 642 . 1 . 1 234 234 ALA H H 1 9.046 0.020 . 1 . . . . . 234 ALA H . 52501 1 643 . 1 . 1 234 234 ALA CA C 13 50.551 0.3 . 1 . . . . . 234 ALA CA . 52501 1 644 . 1 . 1 234 234 ALA N N 15 119.764 0.3 . 1 . . . . . 234 ALA N . 52501 1 645 . 1 . 1 235 235 LYS H H 1 8.538 0.020 . 1 . . . . . 235 LYS H . 52501 1 646 . 1 . 1 235 235 LYS CA C 13 55.111 0.3 . 1 . . . . . 235 LYS CA . 52501 1 647 . 1 . 1 235 235 LYS N N 15 120.380 0.3 . 1 . . . . . 235 LYS N . 52501 1 648 . 1 . 1 236 236 TYR H H 1 9.870 0.020 . 1 . . . . . 236 TYR H . 52501 1 649 . 1 . 1 236 236 TYR CA C 13 54.430 0.3 . 1 . . . . . 236 TYR CA . 52501 1 650 . 1 . 1 236 236 TYR N N 15 130.152 0.3 . 1 . . . . . 236 TYR N . 52501 1 651 . 1 . 1 237 237 GLN H H 1 8.899 0.020 . 1 . . . . . 237 GLN H . 52501 1 652 . 1 . 1 237 237 GLN CA C 13 54.487 0.3 . 1 . . . . . 237 GLN CA . 52501 1 653 . 1 . 1 237 237 GLN N N 15 130.630 0.3 . 1 . . . . . 237 GLN N . 52501 1 654 . 1 . 1 238 238 LEU H H 1 7.953 0.020 . 1 . . . . . 238 LEU H . 52501 1 655 . 1 . 1 238 238 LEU CA C 13 57.549 0.3 . 1 . . . . . 238 LEU CA . 52501 1 656 . 1 . 1 238 238 LEU N N 15 129.898 0.3 . 1 . . . . . 238 LEU N . 52501 1 657 . 1 . 1 239 239 ASP H H 1 8.424 0.020 . 1 . . . . . 239 ASP H . 52501 1 658 . 1 . 1 239 239 ASP CA C 13 52.739 0.3 . 1 . . . . . 239 ASP CA . 52501 1 659 . 1 . 1 239 239 ASP N N 15 115.332 0.3 . 1 . . . . . 239 ASP N . 52501 1 660 . 1 . 1 241 241 THR H H 1 9.090 0.020 . 1 . . . . . 241 THR H . 52501 1 661 . 1 . 1 241 241 THR CA C 13 60.616 0.3 . 1 . . . . . 241 THR CA . 52501 1 662 . 1 . 1 241 241 THR N N 15 106.983 0.3 . 1 . . . . . 241 THR N . 52501 1 663 . 1 . 1 242 242 ALA H H 1 7.603 0.020 . 1 . . . . . 242 ALA H . 52501 1 664 . 1 . 1 242 242 ALA CA C 13 51.604 0.3 . 1 . . . . . 242 ALA CA . 52501 1 665 . 1 . 1 242 242 ALA N N 15 126.030 0.3 . 1 . . . . . 242 ALA N . 52501 1 666 . 1 . 1 243 243 SER H H 1 8.713 0.020 . 1 . . . . . 243 SER H . 52501 1 667 . 1 . 1 243 243 SER CA C 13 56.054 0.3 . 1 . . . . . 243 SER CA . 52501 1 668 . 1 . 1 243 243 SER N N 15 114.874 0.3 . 1 . . . . . 243 SER N . 52501 1 669 . 1 . 1 244 244 ILE H H 1 8.957 0.020 . 1 . . . . . 244 ILE H . 52501 1 670 . 1 . 1 244 244 ILE CA C 13 58.179 0.3 . 1 . . . . . 244 ILE CA . 52501 1 671 . 1 . 1 244 244 ILE N N 15 120.554 0.3 . 1 . . . . . 244 ILE N . 52501 1 672 . 1 . 1 245 245 SER H H 1 9.375 0.020 . 1 . . . . . 245 SER H . 52501 1 673 . 1 . 1 245 245 SER CA C 13 56.858 0.3 . 1 . . . . . 245 SER CA . 52501 1 674 . 1 . 1 245 245 SER N N 15 122.646 0.3 . 1 . . . . . 245 SER N . 52501 1 675 . 1 . 1 246 246 ALA H H 1 9.097 0.020 . 1 . . . . . 246 ALA H . 52501 1 676 . 1 . 1 246 246 ALA CA C 13 50.366 0.3 . 1 . . . . . 246 ALA CA . 52501 1 677 . 1 . 1 246 246 ALA N N 15 122.930 0.3 . 1 . . . . . 246 ALA N . 52501 1 678 . 1 . 1 247 247 LYS H H 1 9.250 0.020 . 1 . . . . . 247 LYS H . 52501 1 679 . 1 . 1 247 247 LYS CA C 13 54.548 0.3 . 1 . . . . . 247 LYS CA . 52501 1 680 . 1 . 1 247 247 LYS N N 15 115.848 0.3 . 1 . . . . . 247 LYS N . 52501 1 681 . 1 . 1 248 248 VAL H H 1 8.892 0.020 . 1 . . . . . 248 VAL H . 52501 1 682 . 1 . 1 248 248 VAL CA C 13 59.486 0.3 . 1 . . . . . 248 VAL CA . 52501 1 683 . 1 . 1 248 248 VAL N N 15 117.051 0.3 . 1 . . . . . 248 VAL N . 52501 1 684 . 1 . 1 249 249 ASN H H 1 7.545 0.020 . 1 . . . . . 249 ASN H . 52501 1 685 . 1 . 1 249 249 ASN CA C 13 50.861 0.3 . 1 . . . . . 249 ASN CA . 52501 1 686 . 1 . 1 249 249 ASN N N 15 122.275 0.3 . 1 . . . . . 249 ASN N . 52501 1 687 . 1 . 1 250 250 ASN H H 1 8.426 0.020 . 1 . . . . . 250 ASN H . 52501 1 688 . 1 . 1 250 250 ASN CA C 13 54.848 0.3 . 1 . . . . . 250 ASN CA . 52501 1 689 . 1 . 1 250 250 ASN N N 15 113.414 0.3 . 1 . . . . . 250 ASN N . 52501 1 690 . 1 . 1 251 251 SER H H 1 7.790 0.020 . 1 . . . . . 251 SER H . 52501 1 691 . 1 . 1 251 251 SER CA C 13 58.048 0.3 . 1 . . . . . 251 SER CA . 52501 1 692 . 1 . 1 251 251 SER N N 15 116.971 0.3 . 1 . . . . . 251 SER N . 52501 1 693 . 1 . 1 252 252 SER H H 1 8.125 0.020 . 1 . . . . . 252 SER H . 52501 1 694 . 1 . 1 252 252 SER CA C 13 59.542 0.3 . 1 . . . . . 252 SER CA . 52501 1 695 . 1 . 1 252 252 SER N N 15 109.316 0.3 . 1 . . . . . 252 SER N . 52501 1 696 . 1 . 1 253 253 LEU H H 1 7.302 0.020 . 1 . . . . . 253 LEU H . 52501 1 697 . 1 . 1 253 253 LEU CA C 13 53.915 0.3 . 1 . . . . . 253 LEU CA . 52501 1 698 . 1 . 1 253 253 LEU N N 15 118.495 0.3 . 1 . . . . . 253 LEU N . 52501 1 699 . 1 . 1 254 254 ILE H H 1 8.996 0.020 . 1 . . . . . 254 ILE H . 52501 1 700 . 1 . 1 254 254 ILE CA C 13 59.618 0.3 . 1 . . . . . 254 ILE CA . 52501 1 701 . 1 . 1 254 254 ILE N N 15 126.510 0.3 . 1 . . . . . 254 ILE N . 52501 1 702 . 1 . 1 255 255 GLY H H 1 9.229 0.020 . 1 . . . . . 255 GLY H . 52501 1 703 . 1 . 1 255 255 GLY CA C 13 44.010 0.3 . 1 . . . . . 255 GLY CA . 52501 1 704 . 1 . 1 255 255 GLY N N 15 113.961 0.3 . 1 . . . . . 255 GLY N . 52501 1 705 . 1 . 1 256 256 VAL H H 1 9.487 0.020 . 1 . . . . . 256 VAL H . 52501 1 706 . 1 . 1 256 256 VAL CA C 13 60.130 0.3 . 1 . . . . . 256 VAL CA . 52501 1 707 . 1 . 1 256 256 VAL N N 15 120.765 0.3 . 1 . . . . . 256 VAL N . 52501 1 708 . 1 . 1 257 257 GLY H H 1 9.318 0.020 . 1 . . . . . 257 GLY H . 52501 1 709 . 1 . 1 257 257 GLY CA C 13 44.208 0.3 . 1 . . . . . 257 GLY CA . 52501 1 710 . 1 . 1 257 257 GLY N N 15 114.882 0.3 . 1 . . . . . 257 GLY N . 52501 1 711 . 1 . 1 258 258 TYR H H 1 9.125 0.020 . 1 . . . . . 258 TYR H . 52501 1 712 . 1 . 1 258 258 TYR CA C 13 55.102 0.3 . 1 . . . . . 258 TYR CA . 52501 1 713 . 1 . 1 258 258 TYR N N 15 125.646 0.3 . 1 . . . . . 258 TYR N . 52501 1 714 . 1 . 1 259 259 THR H H 1 8.754 0.020 . 1 . . . . . 259 THR H . 52501 1 715 . 1 . 1 259 259 THR CA C 13 61.095 0.3 . 1 . . . . . 259 THR CA . 52501 1 716 . 1 . 1 259 259 THR N N 15 125.073 0.3 . 1 . . . . . 259 THR N . 52501 1 717 . 1 . 1 260 260 GLN H H 1 9.085 0.020 . 1 . . . . . 260 GLN H . 52501 1 718 . 1 . 1 260 260 GLN CA C 13 52.385 0.3 . 1 . . . . . 260 GLN CA . 52501 1 719 . 1 . 1 260 260 GLN N N 15 126.402 0.3 . 1 . . . . . 260 GLN N . 52501 1 720 . 1 . 1 261 261 THR H H 1 9.380 0.020 . 1 . . . . . 261 THR H . 52501 1 721 . 1 . 1 261 261 THR CA C 13 62.665 0.3 . 1 . . . . . 261 THR CA . 52501 1 722 . 1 . 1 261 261 THR N N 15 125.723 0.3 . 1 . . . . . 261 THR N . 52501 1 723 . 1 . 1 262 262 LEU H H 1 8.947 0.020 . 1 . . . . . 262 LEU H . 52501 1 724 . 1 . 1 262 262 LEU CA C 13 56.429 0.3 . 1 . . . . . 262 LEU CA . 52501 1 725 . 1 . 1 262 262 LEU N N 15 131.024 0.3 . 1 . . . . . 262 LEU N . 52501 1 726 . 1 . 1 263 263 ARG H H 1 8.020 0.020 . 1 . . . . . 263 ARG H . 52501 1 727 . 1 . 1 263 263 ARG CA C 13 53.046 0.3 . 1 . . . . . 263 ARG CA . 52501 1 728 . 1 . 1 263 263 ARG N N 15 114.626 0.3 . 1 . . . . . 263 ARG N . 52501 1 729 . 1 . 1 265 265 GLY H H 1 8.692 0.020 . 1 . . . . . 265 GLY H . 52501 1 730 . 1 . 1 265 265 GLY CA C 13 45.552 0.3 . 1 . . . . . 265 GLY CA . 52501 1 731 . 1 . 1 265 265 GLY N N 15 113.137 0.3 . 1 . . . . . 265 GLY N . 52501 1 732 . 1 . 1 266 266 VAL H H 1 8.444 0.020 . 1 . . . . . 266 VAL H . 52501 1 733 . 1 . 1 266 266 VAL CA C 13 61.241 0.3 . 1 . . . . . 266 VAL CA . 52501 1 734 . 1 . 1 266 266 VAL N N 15 119.748 0.3 . 1 . . . . . 266 VAL N . 52501 1 735 . 1 . 1 267 267 LYS H H 1 8.880 0.020 . 1 . . . . . 267 LYS H . 52501 1 736 . 1 . 1 267 267 LYS CA C 13 55.052 0.3 . 1 . . . . . 267 LYS CA . 52501 1 737 . 1 . 1 267 267 LYS N N 15 127.587 0.3 . 1 . . . . . 267 LYS N . 52501 1 738 . 1 . 1 268 268 LEU H H 1 8.771 0.020 . 1 . . . . . 268 LEU H . 52501 1 739 . 1 . 1 268 268 LEU CA C 13 52.841 0.3 . 1 . . . . . 268 LEU CA . 52501 1 740 . 1 . 1 268 268 LEU N N 15 127.872 0.3 . 1 . . . . . 268 LEU N . 52501 1 741 . 1 . 1 269 269 THR H H 1 9.505 0.020 . 1 . . . . . 269 THR H . 52501 1 742 . 1 . 1 269 269 THR CA C 13 61.046 0.3 . 1 . . . . . 269 THR CA . 52501 1 743 . 1 . 1 269 269 THR N N 15 123.236 0.3 . 1 . . . . . 269 THR N . 52501 1 744 . 1 . 1 270 270 LEU H H 1 9.131 0.020 . 1 . . . . . 270 LEU H . 52501 1 745 . 1 . 1 270 270 LEU CA C 13 52.994 0.3 . 1 . . . . . 270 LEU CA . 52501 1 746 . 1 . 1 270 270 LEU N N 15 128.450 0.3 . 1 . . . . . 270 LEU N . 52501 1 747 . 1 . 1 271 271 SER H H 1 8.817 0.020 . 1 . . . . . 271 SER H . 52501 1 748 . 1 . 1 271 271 SER CA C 13 56.559 0.3 . 1 . . . . . 271 SER CA . 52501 1 749 . 1 . 1 271 271 SER N N 15 115.881 0.3 . 1 . . . . . 271 SER N . 52501 1 750 . 1 . 1 272 272 ALA H H 1 9.478 0.020 . 1 . . . . . 272 ALA H . 52501 1 751 . 1 . 1 272 272 ALA CA C 13 51.238 0.3 . 1 . . . . . 272 ALA CA . 52501 1 752 . 1 . 1 272 272 ALA N N 15 120.334 0.3 . 1 . . . . . 272 ALA N . 52501 1 753 . 1 . 1 273 273 LEU H H 1 8.789 0.020 . 1 . . . . . 273 LEU H . 52501 1 754 . 1 . 1 273 273 LEU CA C 13 52.424 0.3 . 1 . . . . . 273 LEU CA . 52501 1 755 . 1 . 1 273 273 LEU N N 15 124.645 0.3 . 1 . . . . . 273 LEU N . 52501 1 756 . 1 . 1 274 274 VAL H H 1 9.388 0.020 . 1 . . . . . 274 VAL H . 52501 1 757 . 1 . 1 274 274 VAL CA C 13 59.395 0.3 . 1 . . . . . 274 VAL CA . 52501 1 758 . 1 . 1 274 274 VAL N N 15 125.284 0.3 . 1 . . . . . 274 VAL N . 52501 1 759 . 1 . 1 275 275 ASP H H 1 10.286 0.020 . 1 . . . . . 275 ASP H . 52501 1 760 . 1 . 1 275 275 ASP CA C 13 52.181 0.3 . 1 . . . . . 275 ASP CA . 52501 1 761 . 1 . 1 275 275 ASP N N 15 128.415 0.3 . 1 . . . . . 275 ASP N . 52501 1 762 . 1 . 1 276 276 GLY H H 1 8.565 0.020 . 1 . . . . . 276 GLY H . 52501 1 763 . 1 . 1 276 276 GLY CA C 13 45.792 0.3 . 1 . . . . . 276 GLY CA . 52501 1 764 . 1 . 1 276 276 GLY N N 15 112.770 0.3 . 1 . . . . . 276 GLY N . 52501 1 765 . 1 . 1 277 277 LYS H H 1 8.137 0.020 . 1 . . . . . 277 LYS H . 52501 1 766 . 1 . 1 277 277 LYS CA C 13 57.226 0.3 . 1 . . . . . 277 LYS CA . 52501 1 767 . 1 . 1 277 277 LYS N N 15 117.186 0.3 . 1 . . . . . 277 LYS N . 52501 1 768 . 1 . 1 278 278 SER H H 1 7.284 0.020 . 1 . . . . . 278 SER H . 52501 1 769 . 1 . 1 278 278 SER CA C 13 56.427 0.3 . 1 . . . . . 278 SER CA . 52501 1 770 . 1 . 1 278 278 SER N N 15 112.402 0.3 . 1 . . . . . 278 SER N . 52501 1 771 . 1 . 1 279 279 ILE H H 1 8.687 0.020 . 1 . . . . . 279 ILE H . 52501 1 772 . 1 . 1 279 279 ILE CA C 13 62.616 0.3 . 1 . . . . . 279 ILE CA . 52501 1 773 . 1 . 1 279 279 ILE N N 15 126.080 0.3 . 1 . . . . . 279 ILE N . 52501 1 774 . 1 . 1 280 280 ASN H H 1 8.418 0.020 . 1 . . . . . 280 ASN H . 52501 1 775 . 1 . 1 280 280 ASN CA C 13 54.302 0.3 . 1 . . . . . 280 ASN CA . 52501 1 776 . 1 . 1 280 280 ASN N N 15 116.969 0.3 . 1 . . . . . 280 ASN N . 52501 1 777 . 1 . 1 281 281 ALA H H 1 7.828 0.020 . 1 . . . . . 281 ALA H . 52501 1 778 . 1 . 1 281 281 ALA CA C 13 51.613 0.3 . 1 . . . . . 281 ALA CA . 52501 1 779 . 1 . 1 281 281 ALA N N 15 121.159 0.3 . 1 . . . . . 281 ALA N . 52501 1 780 . 1 . 1 282 282 GLY H H 1 7.676 0.020 . 1 . . . . . 282 GLY H . 52501 1 781 . 1 . 1 282 282 GLY CA C 13 44.494 0.3 . 1 . . . . . 282 GLY CA . 52501 1 782 . 1 . 1 282 282 GLY N N 15 107.309 0.3 . 1 . . . . . 282 GLY N . 52501 1 783 . 1 . 1 283 283 GLY H H 1 8.679 0.020 . 1 . . . . . 283 GLY H . 52501 1 784 . 1 . 1 283 283 GLY CA C 13 45.487 0.3 . 1 . . . . . 283 GLY CA . 52501 1 785 . 1 . 1 283 283 GLY N N 15 109.637 0.3 . 1 . . . . . 283 GLY N . 52501 1 786 . 1 . 1 284 284 HIS H H 1 6.998 0.020 . 1 . . . . . 284 HIS H . 52501 1 787 . 1 . 1 284 284 HIS C C 13 173.658 0.3 . 1 . . . . . 284 HIS C . 52501 1 788 . 1 . 1 284 284 HIS CA C 13 54.388 0.3 . 1 . . . . . 284 HIS CA . 52501 1 789 . 1 . 1 284 284 HIS N N 15 120.749 0.3 . 1 . . . . . 284 HIS N . 52501 1 790 . 1 . 1 285 285 LYS H H 1 9.031 0.020 . 1 . . . . . 285 LYS H . 52501 1 791 . 1 . 1 285 285 LYS CA C 13 54.707 0.3 . 1 . . . . . 285 LYS CA . 52501 1 792 . 1 . 1 285 285 LYS N N 15 119.147 0.3 . 1 . . . . . 285 LYS N . 52501 1 793 . 1 . 1 286 286 VAL H H 1 8.765 0.020 . 1 . . . . . 286 VAL H . 52501 1 794 . 1 . 1 286 286 VAL CA C 13 59.360 0.3 . 1 . . . . . 286 VAL CA . 52501 1 795 . 1 . 1 286 286 VAL N N 15 115.197 0.3 . 1 . . . . . 286 VAL N . 52501 1 796 . 1 . 1 287 287 GLY H H 1 9.052 0.020 . 1 . . . . . 287 GLY H . 52501 1 797 . 1 . 1 287 287 GLY CA C 13 45.105 0.3 . 1 . . . . . 287 GLY CA . 52501 1 798 . 1 . 1 287 287 GLY N N 15 113.034 0.3 . 1 . . . . . 287 GLY N . 52501 1 799 . 1 . 1 288 288 LEU H H 1 8.151 0.020 . 1 . . . . . 288 LEU H . 52501 1 800 . 1 . 1 288 288 LEU CA C 13 54.123 0.3 . 1 . . . . . 288 LEU CA . 52501 1 801 . 1 . 1 288 288 LEU N N 15 119.493 0.3 . 1 . . . . . 288 LEU N . 52501 1 802 . 1 . 1 289 289 ALA H H 1 9.420 0.020 . 1 . . . . . 289 ALA H . 52501 1 803 . 1 . 1 289 289 ALA CA C 13 50.542 0.3 . 1 . . . . . 289 ALA CA . 52501 1 804 . 1 . 1 289 289 ALA N N 15 129.594 0.3 . 1 . . . . . 289 ALA N . 52501 1 805 . 1 . 1 290 290 LEU H H 1 8.742 0.020 . 1 . . . . . 290 LEU H . 52501 1 806 . 1 . 1 290 290 LEU CA C 13 53.055 0.3 . 1 . . . . . 290 LEU CA . 52501 1 807 . 1 . 1 290 290 LEU N N 15 124.775 0.3 . 1 . . . . . 290 LEU N . 52501 1 808 . 1 . 1 291 291 GLU H H 1 9.199 0.020 . 1 . . . . . 291 GLU H . 52501 1 809 . 1 . 1 291 291 GLU CA C 13 54.477 0.3 . 1 . . . . . 291 GLU CA . 52501 1 810 . 1 . 1 291 291 GLU N N 15 127.979 0.3 . 1 . . . . . 291 GLU N . 52501 1 811 . 1 . 1 292 292 LEU H H 1 9.064 0.020 . 1 . . . . . 292 LEU H . 52501 1 812 . 1 . 1 292 292 LEU CA C 13 52.798 0.3 . 1 . . . . . 292 LEU CA . 52501 1 813 . 1 . 1 292 292 LEU N N 15 126.892 0.3 . 1 . . . . . 292 LEU N . 52501 1 814 . 1 . 1 293 293 GLU H H 1 9.213 0.020 . 1 . . . . . 293 GLU H . 52501 1 815 . 1 . 1 293 293 GLU CA C 13 54.358 0.3 . 1 . . . . . 293 GLU CA . 52501 1 816 . 1 . 1 293 293 GLU N N 15 124.777 0.3 . 1 . . . . . 293 GLU N . 52501 1 817 . 1 . 1 294 294 ALA H H 1 8.390 0.020 . 1 . . . . . 294 ALA H . 52501 1 818 . 1 . 1 294 294 ALA CA C 13 50.784 0.3 . 1 . . . . . 294 ALA CA . 52501 1 819 . 1 . 1 294 294 ALA N N 15 127.521 0.3 . 1 . . . . . 294 ALA N . 52501 1 stop_ save_