data_28053 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28053 _Entry.Title ; VDAC_E73V assignment in MSP1D1 nanodiscs ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-12-13 _Entry.Accession_date 2019-12-13 _Entry.Last_release_date 2019-12-13 _Entry.Original_release_date 2019-12-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Stefan Bibow . . . . 28053 2 Raphael Boehm . . . . 28053 3 'Seyed Majed' Modaresi . . . . 28053 4 Sebastian Hiller . . . . 28053 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28053 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 249 28053 '1H chemical shifts' 249 28053 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2020-07-26 2019-12-13 update BMRB 'update entry citation' 28053 1 . . 2020-01-24 2019-12-13 original author 'original release' 28053 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50125 'VDAC E73V assignment in DHPC7 micelles' 28053 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28053 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32378880 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Detergent Titration as an Efficient Method for NMR Resonance Assignments of Membrane Proteins in Lipid-Bilayer Nanodiscs ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Anal. Chem.' _Citation.Journal_name_full 'Analytical chemistry' _Citation.Journal_volume 92 _Citation.Journal_issue 11 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-6882 _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 7786 _Citation.Page_last 7793 _Citation.Year 2020 _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 Stefan Bibow . . . . 28053 1 2 Raphael Boehm . . . . 28053 1 3 'Seyed Majed' Modaresi . . . . 28053 1 4 Sebastian Hiller . . . . 28053 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID VDAC 28053 1 'assignment transfer' 28053 1 nanodiscs 28053 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28053 _Assembly.ID 1 _Assembly.Name VDAC-MSP1D1 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'VDAC reconstituted in MSP1D1 with DMPC lipids' _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 VDAC 1 $VDAC A . yes native no no . . . 28053 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 5JDP . . . . . . 28053 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_VDAC _Entity.Sf_category entity _Entity.Sf_framecode VDAC _Entity.Entry_ID 28053 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name VDAC _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 ; MAVPPTYADLGKSARDVFTK GYGFGLIKLDLKTKSENGLE FTSSGSANTETTKVTGSLET KYRWTEYGLTFTVKWNTDNT LGTEITVEDQLARGLKLTFD SSFSPNTGKKNAKIKTGYKR EHINLGCDMDFDIAGPSIRG ALVLGYEGWLAGYQMNFETA KSRVTQSNFAVGYKTDEFQL HTNVNDGTEFGGSIYQKVNK KLETAVNLAWTAGNSNTRFG IAAKYQIDPDACFSAKVNNS SLIGLGYTQTLKPGIKLTLS ALLDGKNVNAGGHKLGLGLE FQALEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 291 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _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 . 28053 1 2 . ALA . 28053 1 3 . VAL . 28053 1 4 . PRO . 28053 1 5 . PRO . 28053 1 6 . THR . 28053 1 7 . TYR . 28053 1 8 . ALA . 28053 1 9 . ASP . 28053 1 10 . LEU . 28053 1 11 . GLY . 28053 1 12 . LYS . 28053 1 13 . SER . 28053 1 14 . ALA . 28053 1 15 . ARG . 28053 1 16 . ASP . 28053 1 17 . VAL . 28053 1 18 . PHE . 28053 1 19 . THR . 28053 1 20 . LYS . 28053 1 21 . GLY . 28053 1 22 . TYR . 28053 1 23 . GLY . 28053 1 24 . PHE . 28053 1 25 . GLY . 28053 1 26 . LEU . 28053 1 27 . ILE . 28053 1 28 . LYS . 28053 1 29 . LEU . 28053 1 30 . ASP . 28053 1 31 . LEU . 28053 1 32 . LYS . 28053 1 33 . THR . 28053 1 34 . LYS . 28053 1 35 . SER . 28053 1 36 . GLU . 28053 1 37 . ASN . 28053 1 38 . GLY . 28053 1 39 . LEU . 28053 1 40 . GLU . 28053 1 41 . PHE . 28053 1 42 . THR . 28053 1 43 . SER . 28053 1 44 . SER . 28053 1 45 . GLY . 28053 1 46 . SER . 28053 1 47 . ALA . 28053 1 48 . ASN . 28053 1 49 . THR . 28053 1 50 . GLU . 28053 1 51 . THR . 28053 1 52 . THR . 28053 1 53 . LYS . 28053 1 54 . VAL . 28053 1 55 . THR . 28053 1 56 . GLY . 28053 1 57 . SER . 28053 1 58 . LEU . 28053 1 59 . GLU . 28053 1 60 . THR . 28053 1 61 . LYS . 28053 1 62 . TYR . 28053 1 63 . ARG . 28053 1 64 . TRP . 28053 1 65 . THR . 28053 1 66 . GLU . 28053 1 67 . TYR . 28053 1 68 . GLY . 28053 1 69 . LEU . 28053 1 70 . THR . 28053 1 71 . PHE . 28053 1 72 . THR . 28053 1 73 . VAL . 28053 1 74 . LYS . 28053 1 75 . TRP . 28053 1 76 . ASN . 28053 1 77 . THR . 28053 1 78 . ASP . 28053 1 79 . ASN . 28053 1 80 . THR . 28053 1 81 . LEU . 28053 1 82 . GLY . 28053 1 83 . THR . 28053 1 84 . GLU . 28053 1 85 . ILE . 28053 1 86 . THR . 28053 1 87 . VAL . 28053 1 88 . GLU . 28053 1 89 . ASP . 28053 1 90 . GLN . 28053 1 91 . LEU . 28053 1 92 . ALA . 28053 1 93 . ARG . 28053 1 94 . GLY . 28053 1 95 . LEU . 28053 1 96 . LYS . 28053 1 97 . LEU . 28053 1 98 . THR . 28053 1 99 . PHE . 28053 1 100 . ASP . 28053 1 101 . SER . 28053 1 102 . SER . 28053 1 103 . PHE . 28053 1 104 . SER . 28053 1 105 . PRO . 28053 1 106 . ASN . 28053 1 107 . THR . 28053 1 108 . GLY . 28053 1 109 . LYS . 28053 1 110 . LYS . 28053 1 111 . ASN . 28053 1 112 . ALA . 28053 1 113 . LYS . 28053 1 114 . ILE . 28053 1 115 . LYS . 28053 1 116 . THR . 28053 1 117 . GLY . 28053 1 118 . TYR . 28053 1 119 . LYS . 28053 1 120 . ARG . 28053 1 121 . GLU . 28053 1 122 . HIS . 28053 1 123 . ILE . 28053 1 124 . ASN . 28053 1 125 . LEU . 28053 1 126 . GLY . 28053 1 127 . CYS . 28053 1 128 . ASP . 28053 1 129 . MET . 28053 1 130 . ASP . 28053 1 131 . PHE . 28053 1 132 . ASP . 28053 1 133 . ILE . 28053 1 134 . ALA . 28053 1 135 . GLY . 28053 1 136 . PRO . 28053 1 137 . SER . 28053 1 138 . ILE . 28053 1 139 . ARG . 28053 1 140 . GLY . 28053 1 141 . ALA . 28053 1 142 . LEU . 28053 1 143 . VAL . 28053 1 144 . LEU . 28053 1 145 . GLY . 28053 1 146 . TYR . 28053 1 147 . GLU . 28053 1 148 . GLY . 28053 1 149 . TRP . 28053 1 150 . LEU . 28053 1 151 . ALA . 28053 1 152 . GLY . 28053 1 153 . TYR . 28053 1 154 . GLN . 28053 1 155 . MET . 28053 1 156 . ASN . 28053 1 157 . PHE . 28053 1 158 . GLU . 28053 1 159 . THR . 28053 1 160 . ALA . 28053 1 161 . LYS . 28053 1 162 . SER . 28053 1 163 . ARG . 28053 1 164 . VAL . 28053 1 165 . THR . 28053 1 166 . GLN . 28053 1 167 . SER . 28053 1 168 . ASN . 28053 1 169 . PHE . 28053 1 170 . ALA . 28053 1 171 . VAL . 28053 1 172 . GLY . 28053 1 173 . TYR . 28053 1 174 . LYS . 28053 1 175 . THR . 28053 1 176 . ASP . 28053 1 177 . GLU . 28053 1 178 . PHE . 28053 1 179 . GLN . 28053 1 180 . LEU . 28053 1 181 . HIS . 28053 1 182 . THR . 28053 1 183 . ASN . 28053 1 184 . VAL . 28053 1 185 . ASN . 28053 1 186 . ASP . 28053 1 187 . GLY . 28053 1 188 . THR . 28053 1 189 . GLU . 28053 1 190 . PHE . 28053 1 191 . GLY . 28053 1 192 . GLY . 28053 1 193 . SER . 28053 1 194 . ILE . 28053 1 195 . TYR . 28053 1 196 . GLN . 28053 1 197 . LYS . 28053 1 198 . VAL . 28053 1 199 . ASN . 28053 1 200 . LYS . 28053 1 201 . LYS . 28053 1 202 . LEU . 28053 1 203 . GLU . 28053 1 204 . THR . 28053 1 205 . ALA . 28053 1 206 . VAL . 28053 1 207 . ASN . 28053 1 208 . LEU . 28053 1 209 . ALA . 28053 1 210 . TRP . 28053 1 211 . THR . 28053 1 212 . ALA . 28053 1 213 . GLY . 28053 1 214 . ASN . 28053 1 215 . SER . 28053 1 216 . ASN . 28053 1 217 . THR . 28053 1 218 . ARG . 28053 1 219 . PHE . 28053 1 220 . GLY . 28053 1 221 . ILE . 28053 1 222 . ALA . 28053 1 223 . ALA . 28053 1 224 . LYS . 28053 1 225 . TYR . 28053 1 226 . GLN . 28053 1 227 . ILE . 28053 1 228 . ASP . 28053 1 229 . PRO . 28053 1 230 . ASP . 28053 1 231 . ALA . 28053 1 232 . CYS . 28053 1 233 . PHE . 28053 1 234 . SER . 28053 1 235 . ALA . 28053 1 236 . LYS . 28053 1 237 . VAL . 28053 1 238 . ASN . 28053 1 239 . ASN . 28053 1 240 . SER . 28053 1 241 . SER . 28053 1 242 . LEU . 28053 1 243 . ILE . 28053 1 244 . GLY . 28053 1 245 . LEU . 28053 1 246 . GLY . 28053 1 247 . TYR . 28053 1 248 . THR . 28053 1 249 . GLN . 28053 1 250 . THR . 28053 1 251 . LEU . 28053 1 252 . LYS . 28053 1 253 . PRO . 28053 1 254 . GLY . 28053 1 255 . ILE . 28053 1 256 . LYS . 28053 1 257 . LEU . 28053 1 258 . THR . 28053 1 259 . LEU . 28053 1 260 . SER . 28053 1 261 . ALA . 28053 1 262 . LEU . 28053 1 263 . LEU . 28053 1 264 . ASP . 28053 1 265 . GLY . 28053 1 266 . LYS . 28053 1 267 . ASN . 28053 1 268 . VAL . 28053 1 269 . ASN . 28053 1 270 . ALA . 28053 1 271 . GLY . 28053 1 272 . GLY . 28053 1 273 . HIS . 28053 1 274 . LYS . 28053 1 275 . LEU . 28053 1 276 . GLY . 28053 1 277 . LEU . 28053 1 278 . GLY . 28053 1 279 . LEU . 28053 1 280 . GLU . 28053 1 281 . PHE . 28053 1 282 . GLN . 28053 1 283 . ALA . 28053 1 284 . LEU . 28053 1 285 . GLU . 28053 1 286 . HIS . 28053 1 287 . HIS . 28053 1 288 . HIS . 28053 1 289 . HIS . 28053 1 290 . HIS . 28053 1 291 . HIS . 28053 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 28053 1 . ALA 2 2 28053 1 . VAL 3 3 28053 1 . PRO 4 4 28053 1 . PRO 5 5 28053 1 . THR 6 6 28053 1 . TYR 7 7 28053 1 . ALA 8 8 28053 1 . ASP 9 9 28053 1 . LEU 10 10 28053 1 . GLY 11 11 28053 1 . LYS 12 12 28053 1 . SER 13 13 28053 1 . ALA 14 14 28053 1 . ARG 15 15 28053 1 . ASP 16 16 28053 1 . VAL 17 17 28053 1 . PHE 18 18 28053 1 . THR 19 19 28053 1 . LYS 20 20 28053 1 . GLY 21 21 28053 1 . TYR 22 22 28053 1 . GLY 23 23 28053 1 . PHE 24 24 28053 1 . GLY 25 25 28053 1 . LEU 26 26 28053 1 . ILE 27 27 28053 1 . LYS 28 28 28053 1 . LEU 29 29 28053 1 . ASP 30 30 28053 1 . LEU 31 31 28053 1 . LYS 32 32 28053 1 . THR 33 33 28053 1 . LYS 34 34 28053 1 . SER 35 35 28053 1 . GLU 36 36 28053 1 . ASN 37 37 28053 1 . GLY 38 38 28053 1 . LEU 39 39 28053 1 . GLU 40 40 28053 1 . PHE 41 41 28053 1 . THR 42 42 28053 1 . SER 43 43 28053 1 . SER 44 44 28053 1 . GLY 45 45 28053 1 . SER 46 46 28053 1 . ALA 47 47 28053 1 . ASN 48 48 28053 1 . THR 49 49 28053 1 . GLU 50 50 28053 1 . THR 51 51 28053 1 . THR 52 52 28053 1 . LYS 53 53 28053 1 . VAL 54 54 28053 1 . THR 55 55 28053 1 . GLY 56 56 28053 1 . SER 57 57 28053 1 . LEU 58 58 28053 1 . GLU 59 59 28053 1 . THR 60 60 28053 1 . LYS 61 61 28053 1 . TYR 62 62 28053 1 . ARG 63 63 28053 1 . TRP 64 64 28053 1 . THR 65 65 28053 1 . GLU 66 66 28053 1 . TYR 67 67 28053 1 . GLY 68 68 28053 1 . LEU 69 69 28053 1 . THR 70 70 28053 1 . PHE 71 71 28053 1 . THR 72 72 28053 1 . VAL 73 73 28053 1 . LYS 74 74 28053 1 . TRP 75 75 28053 1 . ASN 76 76 28053 1 . THR 77 77 28053 1 . ASP 78 78 28053 1 . ASN 79 79 28053 1 . THR 80 80 28053 1 . LEU 81 81 28053 1 . GLY 82 82 28053 1 . THR 83 83 28053 1 . GLU 84 84 28053 1 . ILE 85 85 28053 1 . THR 86 86 28053 1 . VAL 87 87 28053 1 . GLU 88 88 28053 1 . ASP 89 89 28053 1 . GLN 90 90 28053 1 . LEU 91 91 28053 1 . ALA 92 92 28053 1 . ARG 93 93 28053 1 . GLY 94 94 28053 1 . LEU 95 95 28053 1 . LYS 96 96 28053 1 . LEU 97 97 28053 1 . THR 98 98 28053 1 . PHE 99 99 28053 1 . ASP 100 100 28053 1 . SER 101 101 28053 1 . SER 102 102 28053 1 . PHE 103 103 28053 1 . SER 104 104 28053 1 . PRO 105 105 28053 1 . ASN 106 106 28053 1 . THR 107 107 28053 1 . GLY 108 108 28053 1 . LYS 109 109 28053 1 . LYS 110 110 28053 1 . ASN 111 111 28053 1 . ALA 112 112 28053 1 . LYS 113 113 28053 1 . ILE 114 114 28053 1 . LYS 115 115 28053 1 . THR 116 116 28053 1 . GLY 117 117 28053 1 . TYR 118 118 28053 1 . LYS 119 119 28053 1 . ARG 120 120 28053 1 . GLU 121 121 28053 1 . HIS 122 122 28053 1 . ILE 123 123 28053 1 . ASN 124 124 28053 1 . LEU 125 125 28053 1 . GLY 126 126 28053 1 . CYS 127 127 28053 1 . ASP 128 128 28053 1 . MET 129 129 28053 1 . ASP 130 130 28053 1 . PHE 131 131 28053 1 . ASP 132 132 28053 1 . ILE 133 133 28053 1 . ALA 134 134 28053 1 . GLY 135 135 28053 1 . PRO 136 136 28053 1 . SER 137 137 28053 1 . ILE 138 138 28053 1 . ARG 139 139 28053 1 . GLY 140 140 28053 1 . ALA 141 141 28053 1 . LEU 142 142 28053 1 . VAL 143 143 28053 1 . LEU 144 144 28053 1 . GLY 145 145 28053 1 . TYR 146 146 28053 1 . GLU 147 147 28053 1 . GLY 148 148 28053 1 . TRP 149 149 28053 1 . LEU 150 150 28053 1 . ALA 151 151 28053 1 . GLY 152 152 28053 1 . TYR 153 153 28053 1 . GLN 154 154 28053 1 . MET 155 155 28053 1 . ASN 156 156 28053 1 . PHE 157 157 28053 1 . GLU 158 158 28053 1 . THR 159 159 28053 1 . ALA 160 160 28053 1 . LYS 161 161 28053 1 . SER 162 162 28053 1 . ARG 163 163 28053 1 . VAL 164 164 28053 1 . THR 165 165 28053 1 . GLN 166 166 28053 1 . SER 167 167 28053 1 . ASN 168 168 28053 1 . PHE 169 169 28053 1 . ALA 170 170 28053 1 . VAL 171 171 28053 1 . GLY 172 172 28053 1 . TYR 173 173 28053 1 . LYS 174 174 28053 1 . THR 175 175 28053 1 . ASP 176 176 28053 1 . GLU 177 177 28053 1 . PHE 178 178 28053 1 . GLN 179 179 28053 1 . LEU 180 180 28053 1 . HIS 181 181 28053 1 . THR 182 182 28053 1 . ASN 183 183 28053 1 . VAL 184 184 28053 1 . ASN 185 185 28053 1 . ASP 186 186 28053 1 . GLY 187 187 28053 1 . THR 188 188 28053 1 . GLU 189 189 28053 1 . PHE 190 190 28053 1 . GLY 191 191 28053 1 . GLY 192 192 28053 1 . SER 193 193 28053 1 . ILE 194 194 28053 1 . TYR 195 195 28053 1 . GLN 196 196 28053 1 . LYS 197 197 28053 1 . VAL 198 198 28053 1 . ASN 199 199 28053 1 . LYS 200 200 28053 1 . LYS 201 201 28053 1 . LEU 202 202 28053 1 . GLU 203 203 28053 1 . THR 204 204 28053 1 . ALA 205 205 28053 1 . VAL 206 206 28053 1 . ASN 207 207 28053 1 . LEU 208 208 28053 1 . ALA 209 209 28053 1 . TRP 210 210 28053 1 . THR 211 211 28053 1 . ALA 212 212 28053 1 . GLY 213 213 28053 1 . ASN 214 214 28053 1 . SER 215 215 28053 1 . ASN 216 216 28053 1 . THR 217 217 28053 1 . ARG 218 218 28053 1 . PHE 219 219 28053 1 . GLY 220 220 28053 1 . ILE 221 221 28053 1 . ALA 222 222 28053 1 . ALA 223 223 28053 1 . LYS 224 224 28053 1 . TYR 225 225 28053 1 . GLN 226 226 28053 1 . ILE 227 227 28053 1 . ASP 228 228 28053 1 . PRO 229 229 28053 1 . ASP 230 230 28053 1 . ALA 231 231 28053 1 . CYS 232 232 28053 1 . PHE 233 233 28053 1 . SER 234 234 28053 1 . ALA 235 235 28053 1 . LYS 236 236 28053 1 . VAL 237 237 28053 1 . ASN 238 238 28053 1 . ASN 239 239 28053 1 . SER 240 240 28053 1 . SER 241 241 28053 1 . LEU 242 242 28053 1 . ILE 243 243 28053 1 . GLY 244 244 28053 1 . LEU 245 245 28053 1 . GLY 246 246 28053 1 . TYR 247 247 28053 1 . THR 248 248 28053 1 . GLN 249 249 28053 1 . THR 250 250 28053 1 . LEU 251 251 28053 1 . LYS 252 252 28053 1 . PRO 253 253 28053 1 . GLY 254 254 28053 1 . ILE 255 255 28053 1 . LYS 256 256 28053 1 . LEU 257 257 28053 1 . THR 258 258 28053 1 . LEU 259 259 28053 1 . SER 260 260 28053 1 . ALA 261 261 28053 1 . LEU 262 262 28053 1 . LEU 263 263 28053 1 . ASP 264 264 28053 1 . GLY 265 265 28053 1 . LYS 266 266 28053 1 . ASN 267 267 28053 1 . VAL 268 268 28053 1 . ASN 269 269 28053 1 . ALA 270 270 28053 1 . GLY 271 271 28053 1 . GLY 272 272 28053 1 . HIS 273 273 28053 1 . LYS 274 274 28053 1 . LEU 275 275 28053 1 . GLY 276 276 28053 1 . LEU 277 277 28053 1 . GLY 278 278 28053 1 . LEU 279 279 28053 1 . GLU 280 280 28053 1 . PHE 281 281 28053 1 . GLN 282 282 28053 1 . ALA 283 283 28053 1 . LEU 284 284 28053 1 . GLU 285 285 28053 1 . HIS 286 286 28053 1 . HIS 287 287 28053 1 . HIS 288 288 28053 1 . HIS 289 289 28053 1 . HIS 290 290 28053 1 . HIS 291 291 28053 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 28053 _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 $VDAC . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 28053 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 28053 _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 $VDAC . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET21a . . . 28053 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28053 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'VDAC reconstituted in MSP1D1 with DMPC lipids' _Sample.Aggregate_sample_number . _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 VDAC '[U-13C; U-15N; U-2H]' . . 1 $VDAC . . 300 . . uM . . . . 28053 1 2 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 28053 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 28053 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 100 . mM 28053 1 pH 7.0 . pH 28053 1 pressure 1 . atm 28053 1 temperature 310 . K 28053 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 28053 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 28053 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 28053 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 28053 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 28053 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 28053 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 28053 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28053 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 28053 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 0.00 na indirect 0.251449530 . . . . . 28053 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 28053 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 28053 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 28053 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 28053 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 6 6 THR H H 1 7.450 0.03 . . . . . . . 6 THR H . 28053 1 2 . 1 . 1 6 6 THR N N 15 106.437 0.12 . . . . . . . 6 THR N . 28053 1 3 . 1 . 1 7 7 TYR H H 1 7.720 0.02 . . . . . . . 7 TYR H . 28053 1 4 . 1 . 1 7 7 TYR N N 15 122.842 0.12 . . . . . . . 7 TYR N . 28053 1 5 . 1 . 1 8 8 ALA H H 1 8.467 0.00 . . . . . . . 8 ALA H . 28053 1 6 . 1 . 1 8 8 ALA N N 15 119.349 0.00 . . . . . . . 8 ALA N . 28053 1 7 . 1 . 1 9 9 ASP H H 1 7.276 0.02 . . . . . . . 9 ASP H . 28053 1 8 . 1 . 1 9 9 ASP N N 15 115.460 0.06 . . . . . . . 9 ASP N . 28053 1 9 . 1 . 1 10 10 LEU H H 1 7.393 0.02 . . . . . . . 10 LEU H . 28053 1 10 . 1 . 1 10 10 LEU N N 15 125.460 0.01 . . . . . . . 10 LEU N . 28053 1 11 . 1 . 1 12 12 LYS H H 1 7.322 0.01 . . . . . . . 12 LYS H . 28053 1 12 . 1 . 1 12 12 LYS N N 15 122.716 0.13 . . . . . . . 12 LYS N . 28053 1 13 . 1 . 1 13 13 SER H H 1 8.155 0.02 . . . . . . . 13 SER H . 28053 1 14 . 1 . 1 13 13 SER N N 15 115.546 0.01 . . . . . . . 13 SER N . 28053 1 15 . 1 . 1 14 14 ALA H H 1 8.302 0.00 . . . . . . . 14 ALA H . 28053 1 16 . 1 . 1 14 14 ALA N N 15 122.054 0.00 . . . . . . . 14 ALA N . 28053 1 17 . 1 . 1 15 15 ARG H H 1 7.314 0.04 . . . . . . . 15 ARG H . 28053 1 18 . 1 . 1 15 15 ARG N N 15 117.328 0.14 . . . . . . . 15 ARG N . 28053 1 19 . 1 . 1 16 16 ASP H H 1 9.058 0.04 . . . . . . . 16 ASP H . 28053 1 20 . 1 . 1 16 16 ASP N N 15 122.485 0.23 . . . . . . . 16 ASP N . 28053 1 21 . 1 . 1 17 17 VAL H H 1 7.542 0.00 . . . . . . . 17 VAL H . 28053 1 22 . 1 . 1 17 17 VAL N N 15 120.411 0.00 . . . . . . . 17 VAL N . 28053 1 23 . 1 . 1 18 18 PHE H H 1 7.562 0.06 . . . . . . . 18 PHE H . 28053 1 24 . 1 . 1 18 18 PHE N N 15 116.263 0.16 . . . . . . . 18 PHE N . 28053 1 25 . 1 . 1 21 21 GLY H H 1 8.348 0.02 . . . . . . . 21 GLY H . 28053 1 26 . 1 . 1 21 21 GLY N N 15 109.829 0.05 . . . . . . . 21 GLY N . 28053 1 27 . 1 . 1 22 22 TYR H H 1 6.657 0.00 . . . . . . . 22 TYR H . 28053 1 28 . 1 . 1 22 22 TYR N N 15 113.816 0.00 . . . . . . . 22 TYR N . 28053 1 29 . 1 . 1 24 24 PHE H H 1 7.112 0.00 . . . . . . . 24 PHE H . 28053 1 30 . 1 . 1 24 24 PHE N N 15 120.726 0.00 . . . . . . . 24 PHE N . 28053 1 31 . 1 . 1 25 25 GLY H H 1 8.194 0.00 . . . . . . . 25 GLY H . 28053 1 32 . 1 . 1 25 25 GLY N N 15 110.664 0.00 . . . . . . . 25 GLY N . 28053 1 33 . 1 . 1 26 26 LEU H H 1 7.533 0.00 . . . . . . . 26 LEU H . 28053 1 34 . 1 . 1 26 26 LEU N N 15 118.369 0.00 . . . . . . . 26 LEU N . 28053 1 35 . 1 . 1 27 27 ILE H H 1 8.713 0.00 . . . . . . . 27 ILE H . 28053 1 36 . 1 . 1 27 27 ILE N N 15 120.981 0.00 . . . . . . . 27 ILE N . 28053 1 37 . 1 . 1 28 28 LYS H H 1 8.819 0.00 . . . . . . . 28 LYS H . 28053 1 38 . 1 . 1 28 28 LYS N N 15 127.096 0.00 . . . . . . . 28 LYS N . 28053 1 39 . 1 . 1 29 29 LEU H H 1 8.789 0.02 . . . . . . . 29 LEU H . 28053 1 40 . 1 . 1 29 29 LEU N N 15 124.359 0.06 . . . . . . . 29 LEU N . 28053 1 41 . 1 . 1 30 30 ASP H H 1 8.527 0.03 . . . . . . . 30 ASP H . 28053 1 42 . 1 . 1 30 30 ASP N N 15 123.809 0.06 . . . . . . . 30 ASP N . 28053 1 43 . 1 . 1 31 31 LEU H H 1 9.168 0.00 . . . . . . . 31 LEU H . 28053 1 44 . 1 . 1 31 31 LEU N N 15 123.653 0.00 . . . . . . . 31 LEU N . 28053 1 45 . 1 . 1 32 32 LYS H H 1 8.596 0.00 . . . . . . . 32 LYS H . 28053 1 46 . 1 . 1 32 32 LYS N N 15 125.271 0.19 . . . . . . . 32 LYS N . 28053 1 47 . 1 . 1 33 33 THR H H 1 9.073 0.00 . . . . . . . 33 THR H . 28053 1 48 . 1 . 1 33 33 THR N N 15 116.413 0.00 . . . . . . . 33 THR N . 28053 1 49 . 1 . 1 34 34 LYS H H 1 8.186 0.02 . . . . . . . 34 LYS H . 28053 1 50 . 1 . 1 34 34 LYS N N 15 123.417 0.29 . . . . . . . 34 LYS N . 28053 1 51 . 1 . 1 35 35 SER H H 1 8.930 0.04 . . . . . . . 35 SER H . 28053 1 52 . 1 . 1 35 35 SER N N 15 120.187 0.07 . . . . . . . 35 SER N . 28053 1 53 . 1 . 1 37 37 ASN H H 1 8.434 0.00 . . . . . . . 37 ASN H . 28053 1 54 . 1 . 1 37 37 ASN N N 15 116.238 0.00 . . . . . . . 37 ASN N . 28053 1 55 . 1 . 1 38 38 GLY H H 1 7.792 0.08 . . . . . . . 38 GLY H . 28053 1 56 . 1 . 1 38 38 GLY N N 15 106.674 0.01 . . . . . . . 38 GLY N . 28053 1 57 . 1 . 1 39 39 LEU H H 1 7.860 0.02 . . . . . . . 39 LEU H . 28053 1 58 . 1 . 1 39 39 LEU N N 15 122.728 0.05 . . . . . . . 39 LEU N . 28053 1 59 . 1 . 1 40 40 GLU H H 1 8.935 0.00 . . . . . . . 40 GLU H . 28053 1 60 . 1 . 1 40 40 GLU N N 15 124.532 0.00 . . . . . . . 40 GLU N . 28053 1 61 . 1 . 1 41 41 PHE H H 1 8.902 0.00 . . . . . . . 41 PHE H . 28053 1 62 . 1 . 1 41 41 PHE N N 15 125.126 0.00 . . . . . . . 41 PHE N . 28053 1 63 . 1 . 1 43 43 SER H H 1 9.246 0.00 . . . . . . . 43 SER H . 28053 1 64 . 1 . 1 43 43 SER N N 15 120.874 0.00 . . . . . . . 43 SER N . 28053 1 65 . 1 . 1 44 44 SER H H 1 8.681 0.03 . . . . . . . 44 SER H . 28053 1 66 . 1 . 1 44 44 SER N N 15 120.476 0.20 . . . . . . . 44 SER N . 28053 1 67 . 1 . 1 45 45 GLY H H 1 9.130 0.00 . . . . . . . 45 GLY H . 28053 1 68 . 1 . 1 45 45 GLY N N 15 111.008 0.00 . . . . . . . 45 GLY N . 28053 1 69 . 1 . 1 46 46 SER H H 1 9.136 0.00 . . . . . . . 46 SER H . 28053 1 70 . 1 . 1 46 46 SER N N 15 116.314 0.00 . . . . . . . 46 SER N . 28053 1 71 . 1 . 1 47 47 ALA H H 1 9.263 0.00 . . . . . . . 47 ALA H . 28053 1 72 . 1 . 1 47 47 ALA N N 15 124.548 0.17 . . . . . . . 47 ALA N . 28053 1 73 . 1 . 1 48 48 ASN H H 1 8.348 0.00 . . . . . . . 48 ASN H . 28053 1 74 . 1 . 1 48 48 ASN N N 15 121.422 0.00 . . . . . . . 48 ASN N . 28053 1 75 . 1 . 1 53 53 LYS H H 1 7.566 0.03 . . . . . . . 53 LYS H . 28053 1 76 . 1 . 1 53 53 LYS N N 15 120.769 0.03 . . . . . . . 53 LYS N . 28053 1 77 . 1 . 1 54 54 VAL H H 1 8.736 0.02 . . . . . . . 54 VAL H . 28053 1 78 . 1 . 1 54 54 VAL N N 15 127.130 0.07 . . . . . . . 54 VAL N . 28053 1 79 . 1 . 1 55 55 THR H H 1 8.793 0.05 . . . . . . . 55 THR H . 28053 1 80 . 1 . 1 55 55 THR N N 15 119.465 0.18 . . . . . . . 55 THR N . 28053 1 81 . 1 . 1 56 56 GLY H H 1 8.354 0.02 . . . . . . . 56 GLY H . 28053 1 82 . 1 . 1 56 56 GLY N N 15 109.820 0.06 . . . . . . . 56 GLY N . 28053 1 83 . 1 . 1 57 57 SER H H 1 9.151 0.00 . . . . . . . 57 SER H . 28053 1 84 . 1 . 1 57 57 SER N N 15 113.385 0.00 . . . . . . . 57 SER N . 28053 1 85 . 1 . 1 58 58 LEU H H 1 9.212 0.00 . . . . . . . 58 LEU H . 28053 1 86 . 1 . 1 58 58 LEU N N 15 122.511 0.00 . . . . . . . 58 LEU N . 28053 1 87 . 1 . 1 59 59 GLU H H 1 9.082 0.00 . . . . . . . 59 GLU H . 28053 1 88 . 1 . 1 59 59 GLU N N 15 123.753 0.00 . . . . . . . 59 GLU N . 28053 1 89 . 1 . 1 60 60 THR H H 1 9.130 0.01 . . . . . . . 60 THR H . 28053 1 90 . 1 . 1 60 60 THR N N 15 119.968 0.27 . . . . . . . 60 THR N . 28053 1 91 . 1 . 1 61 61 LYS H H 1 8.913 0.00 . . . . . . . 61 LYS H . 28053 1 92 . 1 . 1 61 61 LYS N N 15 126.723 0.13 . . . . . . . 61 LYS N . 28053 1 93 . 1 . 1 62 62 TYR H H 1 9.187 0.00 . . . . . . . 62 TYR H . 28053 1 94 . 1 . 1 62 62 TYR N N 15 124.810 0.00 . . . . . . . 62 TYR N . 28053 1 95 . 1 . 1 63 63 ARG H H 1 7.537 0.00 . . . . . . . 63 ARG H . 28053 1 96 . 1 . 1 63 63 ARG N N 15 126.959 0.00 . . . . . . . 63 ARG N . 28053 1 97 . 1 . 1 64 64 TRP H H 1 9.283 0.01 . . . . . . . 64 TRP H . 28053 1 98 . 1 . 1 64 64 TRP N N 15 127.869 0.06 . . . . . . . 64 TRP N . 28053 1 99 . 1 . 1 65 65 THR H H 1 8.450 0.02 . . . . . . . 65 THR H . 28053 1 100 . 1 . 1 65 65 THR N N 15 120.938 0.03 . . . . . . . 65 THR N . 28053 1 101 . 1 . 1 67 67 TYR H H 1 6.743 0.00 . . . . . . . 67 TYR H . 28053 1 102 . 1 . 1 67 67 TYR N N 15 114.215 0.00 . . . . . . . 67 TYR N . 28053 1 103 . 1 . 1 68 68 GLY H H 1 7.661 0.00 . . . . . . . 68 GLY H . 28053 1 104 . 1 . 1 68 68 GLY N N 15 106.144 0.00 . . . . . . . 68 GLY N . 28053 1 105 . 1 . 1 69 69 LEU H H 1 7.333 0.04 . . . . . . . 69 LEU H . 28053 1 106 . 1 . 1 69 69 LEU N N 15 120.336 0.40 . . . . . . . 69 LEU N . 28053 1 107 . 1 . 1 70 70 THR H H 1 9.327 0.00 . . . . . . . 70 THR H . 28053 1 108 . 1 . 1 70 70 THR N N 15 121.665 0.00 . . . . . . . 70 THR N . 28053 1 109 . 1 . 1 71 71 PHE H H 1 9.344 0.01 . . . . . . . 71 PHE H . 28053 1 110 . 1 . 1 71 71 PHE N N 15 127.982 0.09 . . . . . . . 71 PHE N . 28053 1 111 . 1 . 1 72 72 THR H H 1 8.992 0.00 . . . . . . . 72 THR H . 28053 1 112 . 1 . 1 72 72 THR N N 15 122.220 0.00 . . . . . . . 72 THR N . 28053 1 113 . 1 . 1 73 73 VAL H H 1 8.970 0.00 . . . . . . . 73 VAL H . 28053 1 114 . 1 . 1 73 73 VAL N N 15 125.656 0.01 . . . . . . . 73 VAL N . 28053 1 115 . 1 . 1 74 74 LYS H H 1 9.188 0.00 . . . . . . . 74 LYS H . 28053 1 116 . 1 . 1 74 74 LYS N N 15 126.124 0.00 . . . . . . . 74 LYS N . 28053 1 117 . 1 . 1 75 75 TRP H H 1 9.108 0.00 . . . . . . . 75 TRP H . 28053 1 118 . 1 . 1 75 75 TRP N N 15 123.759 0.00 . . . . . . . 75 TRP N . 28053 1 119 . 1 . 1 76 76 ASN H H 1 7.831 0.00 . . . . . . . 76 ASN H . 28053 1 120 . 1 . 1 76 76 ASN N N 15 122.722 0.00 . . . . . . . 76 ASN N . 28053 1 121 . 1 . 1 77 77 THR H H 1 8.210 0.02 . . . . . . . 77 THR H . 28053 1 122 . 1 . 1 77 77 THR N N 15 109.376 0.12 . . . . . . . 77 THR N . 28053 1 123 . 1 . 1 78 78 ASP H H 1 7.752 0.00 . . . . . . . 78 ASP H . 28053 1 124 . 1 . 1 78 78 ASP N N 15 121.710 0.00 . . . . . . . 78 ASP N . 28053 1 125 . 1 . 1 79 79 ASN H H 1 8.574 0.00 . . . . . . . 79 ASN H . 28053 1 126 . 1 . 1 79 79 ASN N N 15 115.730 0.00 . . . . . . . 79 ASN N . 28053 1 127 . 1 . 1 81 81 LEU H H 1 8.773 0.00 . . . . . . . 81 LEU H . 28053 1 128 . 1 . 1 81 81 LEU N N 15 128.612 0.00 . . . . . . . 81 LEU N . 28053 1 129 . 1 . 1 82 82 GLY H H 1 9.414 0.00 . . . . . . . 82 GLY H . 28053 1 130 . 1 . 1 82 82 GLY N N 15 112.665 0.00 . . . . . . . 82 GLY N . 28053 1 131 . 1 . 1 83 83 THR H H 1 8.858 0.00 . . . . . . . 83 THR H . 28053 1 132 . 1 . 1 83 83 THR N N 15 114.394 0.00 . . . . . . . 83 THR N . 28053 1 133 . 1 . 1 84 84 GLU H H 1 8.868 0.01 . . . . . . . 84 GLU H . 28053 1 134 . 1 . 1 84 84 GLU N N 15 124.560 0.07 . . . . . . . 84 GLU N . 28053 1 135 . 1 . 1 85 85 ILE H H 1 9.038 0.00 . . . . . . . 85 ILE H . 28053 1 136 . 1 . 1 85 85 ILE N N 15 125.889 0.00 . . . . . . . 85 ILE N . 28053 1 137 . 1 . 1 86 86 THR H H 1 9.085 0.04 . . . . . . . 86 THR H . 28053 1 138 . 1 . 1 86 86 THR N N 15 124.258 0.16 . . . . . . . 86 THR N . 28053 1 139 . 1 . 1 87 87 VAL H H 1 9.413 0.03 . . . . . . . 87 VAL H . 28053 1 140 . 1 . 1 87 87 VAL N N 15 124.745 0.16 . . . . . . . 87 VAL N . 28053 1 141 . 1 . 1 88 88 GLU H H 1 9.116 0.05 . . . . . . . 88 GLU H . 28053 1 142 . 1 . 1 88 88 GLU N N 15 127.793 0.54 . . . . . . . 88 GLU N . 28053 1 143 . 1 . 1 89 89 ASP H H 1 8.723 0.01 . . . . . . . 89 ASP H . 28053 1 144 . 1 . 1 89 89 ASP N N 15 118.188 0.11 . . . . . . . 89 ASP N . 28053 1 145 . 1 . 1 90 90 GLN H H 1 7.969 0.03 . . . . . . . 90 GLN H . 28053 1 146 . 1 . 1 90 90 GLN N N 15 117.976 0.04 . . . . . . . 90 GLN N . 28053 1 147 . 1 . 1 91 91 LEU H H 1 8.308 0.00 . . . . . . . 91 LEU H . 28053 1 148 . 1 . 1 91 91 LEU N N 15 118.248 0.00 . . . . . . . 91 LEU N . 28053 1 149 . 1 . 1 92 92 ALA H H 1 7.634 0.00 . . . . . . . 92 ALA H . 28053 1 150 . 1 . 1 92 92 ALA N N 15 117.416 0.00 . . . . . . . 92 ALA N . 28053 1 151 . 1 . 1 93 93 ARG H H 1 8.836 0.00 . . . . . . . 93 ARG H . 28053 1 152 . 1 . 1 93 93 ARG N N 15 123.739 0.00 . . . . . . . 93 ARG N . 28053 1 153 . 1 . 1 94 94 GLY H H 1 9.410 0.03 . . . . . . . 94 GLY H . 28053 1 154 . 1 . 1 94 94 GLY N N 15 115.492 0.19 . . . . . . . 94 GLY N . 28053 1 155 . 1 . 1 95 95 LEU H H 1 7.938 0.00 . . . . . . . 95 LEU H . 28053 1 156 . 1 . 1 95 95 LEU N N 15 122.825 0.02 . . . . . . . 95 LEU N . 28053 1 157 . 1 . 1 96 96 LYS H H 1 9.700 0.02 . . . . . . . 96 LYS H . 28053 1 158 . 1 . 1 96 96 LYS N N 15 132.562 0.51 . . . . . . . 96 LYS N . 28053 1 159 . 1 . 1 97 97 LEU H H 1 8.809 0.01 . . . . . . . 97 LEU H . 28053 1 160 . 1 . 1 97 97 LEU N N 15 127.281 0.08 . . . . . . . 97 LEU N . 28053 1 161 . 1 . 1 98 98 THR H H 1 9.201 0.00 . . . . . . . 98 THR H . 28053 1 162 . 1 . 1 98 98 THR N N 15 120.218 0.29 . . . . . . . 98 THR N . 28053 1 163 . 1 . 1 99 99 PHE H H 1 9.514 0.01 . . . . . . . 99 PHE H . 28053 1 164 . 1 . 1 99 99 PHE N N 15 127.069 0.09 . . . . . . . 99 PHE N . 28053 1 165 . 1 . 1 100 100 ASP H H 1 8.792 0.01 . . . . . . . 100 ASP H . 28053 1 166 . 1 . 1 100 100 ASP N N 15 129.651 0.37 . . . . . . . 100 ASP N . 28053 1 167 . 1 . 1 101 101 SER H H 1 8.668 0.01 . . . . . . . 101 SER H . 28053 1 168 . 1 . 1 101 101 SER N N 15 118.520 0.10 . . . . . . . 101 SER N . 28053 1 169 . 1 . 1 102 102 SER H H 1 8.696 0.00 . . . . . . . 102 SER H . 28053 1 170 . 1 . 1 102 102 SER N N 15 118.402 0.00 . . . . . . . 102 SER N . 28053 1 171 . 1 . 1 103 103 PHE H H 1 9.182 0.00 . . . . . . . 103 PHE H . 28053 1 172 . 1 . 1 103 103 PHE N N 15 121.938 0.06 . . . . . . . 103 PHE N . 28053 1 173 . 1 . 1 104 104 SER H H 1 7.933 0.00 . . . . . . . 104 SER H . 28053 1 174 . 1 . 1 104 104 SER N N 15 120.737 0.00 . . . . . . . 104 SER N . 28053 1 175 . 1 . 1 108 108 GLY H H 1 8.247 0.06 . . . . . . . 108 GLY H . 28053 1 176 . 1 . 1 108 108 GLY N N 15 112.123 0.02 . . . . . . . 108 GLY N . 28053 1 177 . 1 . 1 109 109 LYS H H 1 7.532 0.03 . . . . . . . 109 LYS H . 28053 1 178 . 1 . 1 109 109 LYS N N 15 120.946 0.12 . . . . . . . 109 LYS N . 28053 1 179 . 1 . 1 110 110 LYS H H 1 8.469 0.00 . . . . . . . 110 LYS H . 28053 1 180 . 1 . 1 110 110 LYS N N 15 124.637 0.15 . . . . . . . 110 LYS N . 28053 1 181 . 1 . 1 111 111 ASN H H 1 8.666 0.01 . . . . . . . 111 ASN H . 28053 1 182 . 1 . 1 111 111 ASN N N 15 119.707 0.18 . . . . . . . 111 ASN N . 28053 1 183 . 1 . 1 112 112 ALA H H 1 8.517 0.00 . . . . . . . 112 ALA H . 28053 1 184 . 1 . 1 112 112 ALA N N 15 124.342 0.00 . . . . . . . 112 ALA N . 28053 1 185 . 1 . 1 113 113 LYS H H 1 9.098 0.01 . . . . . . . 113 LYS H . 28053 1 186 . 1 . 1 113 113 LYS N N 15 119.727 0.03 . . . . . . . 113 LYS N . 28053 1 187 . 1 . 1 114 114 ILE H H 1 8.869 0.00 . . . . . . . 114 ILE H . 28053 1 188 . 1 . 1 114 114 ILE N N 15 121.022 0.30 . . . . . . . 114 ILE N . 28053 1 189 . 1 . 1 115 115 LYS H H 1 9.370 0.02 . . . . . . . 115 LYS H . 28053 1 190 . 1 . 1 115 115 LYS N N 15 126.849 0.20 . . . . . . . 115 LYS N . 28053 1 191 . 1 . 1 116 116 THR H H 1 8.716 0.01 . . . . . . . 116 THR H . 28053 1 192 . 1 . 1 116 116 THR N N 15 117.306 0.08 . . . . . . . 116 THR N . 28053 1 193 . 1 . 1 117 117 GLY H H 1 9.238 0.01 . . . . . . . 117 GLY H . 28053 1 194 . 1 . 1 117 117 GLY N N 15 114.028 0.05 . . . . . . . 117 GLY N . 28053 1 195 . 1 . 1 118 118 TYR H H 1 9.181 0.00 . . . . . . . 118 TYR H . 28053 1 196 . 1 . 1 118 118 TYR N N 15 123.657 0.00 . . . . . . . 118 TYR N . 28053 1 197 . 1 . 1 119 119 LYS H H 1 7.618 0.01 . . . . . . . 119 LYS H . 28053 1 198 . 1 . 1 119 119 LYS N N 15 125.307 0.04 . . . . . . . 119 LYS N . 28053 1 199 . 1 . 1 120 120 ARG H H 1 8.800 0.01 . . . . . . . 120 ARG H . 28053 1 200 . 1 . 1 120 120 ARG N N 15 118.737 0.03 . . . . . . . 120 ARG N . 28053 1 201 . 1 . 1 122 122 HIS H H 1 7.991 0.00 . . . . . . . 122 HIS H . 28053 1 202 . 1 . 1 122 122 HIS N N 15 112.540 0.00 . . . . . . . 122 HIS N . 28053 1 203 . 1 . 1 123 123 ILE H H 1 8.014 0.01 . . . . . . . 123 ILE H . 28053 1 204 . 1 . 1 123 123 ILE N N 15 118.138 0.12 . . . . . . . 123 ILE N . 28053 1 205 . 1 . 1 124 124 ASN H H 1 9.004 0.00 . . . . . . . 124 ASN H . 28053 1 206 . 1 . 1 124 124 ASN N N 15 125.433 0.07 . . . . . . . 124 ASN N . 28053 1 207 . 1 . 1 125 125 LEU H H 1 9.520 0.02 . . . . . . . 125 LEU H . 28053 1 208 . 1 . 1 125 125 LEU N N 15 128.941 0.10 . . . . . . . 125 LEU N . 28053 1 209 . 1 . 1 126 126 GLY H H 1 9.536 0.00 . . . . . . . 126 GLY H . 28053 1 210 . 1 . 1 126 126 GLY N N 15 113.654 0.08 . . . . . . . 126 GLY N . 28053 1 211 . 1 . 1 127 127 CYS H H 1 8.572 0.01 . . . . . . . 127 CYS H . 28053 1 212 . 1 . 1 127 127 CYS N N 15 121.489 0.06 . . . . . . . 127 CYS N . 28053 1 213 . 1 . 1 128 128 ASP H H 1 9.441 0.01 . . . . . . . 128 ASP H . 28053 1 214 . 1 . 1 128 128 ASP N N 15 130.351 0.11 . . . . . . . 128 ASP N . 28053 1 215 . 1 . 1 129 129 MET H H 1 9.444 0.05 . . . . . . . 129 MET H . 28053 1 216 . 1 . 1 129 129 MET N N 15 123.444 0.02 . . . . . . . 129 MET N . 28053 1 217 . 1 . 1 130 130 ASP H H 1 8.655 0.03 . . . . . . . 130 ASP H . 28053 1 218 . 1 . 1 130 130 ASP N N 15 125.356 0.11 . . . . . . . 130 ASP N . 28053 1 219 . 1 . 1 131 131 PHE H H 1 8.604 0.00 . . . . . . . 131 PHE H . 28053 1 220 . 1 . 1 131 131 PHE N N 15 123.432 0.00 . . . . . . . 131 PHE N . 28053 1 221 . 1 . 1 132 132 ASP H H 1 7.374 0.01 . . . . . . . 132 ASP H . 28053 1 222 . 1 . 1 132 132 ASP N N 15 123.091 0.27 . . . . . . . 132 ASP N . 28053 1 223 . 1 . 1 133 133 ILE H H 1 8.464 0.04 . . . . . . . 133 ILE H . 28053 1 224 . 1 . 1 133 133 ILE N N 15 124.737 0.08 . . . . . . . 133 ILE N . 28053 1 225 . 1 . 1 134 134 ALA H H 1 8.509 0.04 . . . . . . . 134 ALA H . 28053 1 226 . 1 . 1 134 134 ALA N N 15 123.718 0.03 . . . . . . . 134 ALA N . 28053 1 227 . 1 . 1 135 135 GLY H H 1 7.700 0.07 . . . . . . . 135 GLY H . 28053 1 228 . 1 . 1 135 135 GLY N N 15 106.929 0.21 . . . . . . . 135 GLY N . 28053 1 229 . 1 . 1 137 137 SER H H 1 8.886 0.00 . . . . . . . 137 SER H . 28053 1 230 . 1 . 1 137 137 SER N N 15 117.941 0.00 . . . . . . . 137 SER N . 28053 1 231 . 1 . 1 138 138 ILE H H 1 9.168 0.00 . . . . . . . 138 ILE H . 28053 1 232 . 1 . 1 138 138 ILE N N 15 122.271 0.00 . . . . . . . 138 ILE N . 28053 1 233 . 1 . 1 139 139 ARG H H 1 9.067 0.05 . . . . . . . 139 ARG H . 28053 1 234 . 1 . 1 139 139 ARG N N 15 128.690 0.09 . . . . . . . 139 ARG N . 28053 1 235 . 1 . 1 140 140 GLY H H 1 8.744 0.03 . . . . . . . 140 GLY H . 28053 1 236 . 1 . 1 140 140 GLY N N 15 113.723 0.05 . . . . . . . 140 GLY N . 28053 1 237 . 1 . 1 141 141 ALA H H 1 9.009 0.02 . . . . . . . 141 ALA H . 28053 1 238 . 1 . 1 141 141 ALA N N 15 124.324 0.04 . . . . . . . 141 ALA N . 28053 1 239 . 1 . 1 142 142 LEU H H 1 9.250 0.05 . . . . . . . 142 LEU H . 28053 1 240 . 1 . 1 142 142 LEU N N 15 123.529 0.21 . . . . . . . 142 LEU N . 28053 1 241 . 1 . 1 143 143 VAL H H 1 9.105 0.00 . . . . . . . 143 VAL H . 28053 1 242 . 1 . 1 143 143 VAL N N 15 125.484 0.00 . . . . . . . 143 VAL N . 28053 1 243 . 1 . 1 144 144 LEU H H 1 9.425 0.01 . . . . . . . 144 LEU H . 28053 1 244 . 1 . 1 144 144 LEU N N 15 126.537 0.16 . . . . . . . 144 LEU N . 28053 1 245 . 1 . 1 145 145 GLY H H 1 8.243 0.03 . . . . . . . 145 GLY H . 28053 1 246 . 1 . 1 145 145 GLY N N 15 105.880 0.22 . . . . . . . 145 GLY N . 28053 1 247 . 1 . 1 146 146 TYR H H 1 8.471 0.03 . . . . . . . 146 TYR H . 28053 1 248 . 1 . 1 146 146 TYR N N 15 123.374 0.22 . . . . . . . 146 TYR N . 28053 1 249 . 1 . 1 147 147 GLU H H 1 9.037 0.00 . . . . . . . 147 GLU H . 28053 1 250 . 1 . 1 147 147 GLU N N 15 125.826 0.00 . . . . . . . 147 GLU N . 28053 1 251 . 1 . 1 148 148 GLY H H 1 7.985 0.00 . . . . . . . 148 GLY H . 28053 1 252 . 1 . 1 148 148 GLY N N 15 107.771 0.00 . . . . . . . 148 GLY N . 28053 1 253 . 1 . 1 149 149 TRP H H 1 8.256 0.00 . . . . . . . 149 TRP H . 28053 1 254 . 1 . 1 149 149 TRP N N 15 121.056 0.00 . . . . . . . 149 TRP N . 28053 1 255 . 1 . 1 150 150 LEU H H 1 8.998 0.04 . . . . . . . 150 LEU H . 28053 1 256 . 1 . 1 150 150 LEU N N 15 123.677 0.08 . . . . . . . 150 LEU N . 28053 1 257 . 1 . 1 151 151 ALA H H 1 8.960 0.01 . . . . . . . 151 ALA H . 28053 1 258 . 1 . 1 151 151 ALA N N 15 122.172 0.02 . . . . . . . 151 ALA N . 28053 1 259 . 1 . 1 152 152 GLY H H 1 9.698 0.02 . . . . . . . 152 GLY H . 28053 1 260 . 1 . 1 152 152 GLY N N 15 108.044 0.14 . . . . . . . 152 GLY N . 28053 1 261 . 1 . 1 153 153 TYR H H 1 9.250 0.04 . . . . . . . 153 TYR H . 28053 1 262 . 1 . 1 153 153 TYR N N 15 122.422 0.21 . . . . . . . 153 TYR N . 28053 1 263 . 1 . 1 154 154 GLN H H 1 8.235 0.09 . . . . . . . 154 GLN H . 28053 1 264 . 1 . 1 154 154 GLN N N 15 128.185 0.00 . . . . . . . 154 GLN N . 28053 1 265 . 1 . 1 155 155 MET H H 1 8.808 0.05 . . . . . . . 155 MET H . 28053 1 266 . 1 . 1 155 155 MET N N 15 121.475 0.04 . . . . . . . 155 MET N . 28053 1 267 . 1 . 1 156 156 ASN H H 1 8.027 0.04 . . . . . . . 156 ASN H . 28053 1 268 . 1 . 1 156 156 ASN N N 15 119.518 0.09 . . . . . . . 156 ASN N . 28053 1 269 . 1 . 1 157 157 PHE H H 1 9.601 0.02 . . . . . . . 157 PHE H . 28053 1 270 . 1 . 1 157 157 PHE N N 15 127.997 0.08 . . . . . . . 157 PHE N . 28053 1 271 . 1 . 1 158 158 GLU H H 1 7.967 0.01 . . . . . . . 158 GLU H . 28053 1 272 . 1 . 1 158 158 GLU N N 15 127.651 0.25 . . . . . . . 158 GLU N . 28053 1 273 . 1 . 1 159 159 THR H H 1 7.737 0.00 . . . . . . . 159 THR H . 28053 1 274 . 1 . 1 159 159 THR N N 15 117.813 0.00 . . . . . . . 159 THR N . 28053 1 275 . 1 . 1 160 160 ALA H H 1 9.154 0.00 . . . . . . . 160 ALA H . 28053 1 276 . 1 . 1 160 160 ALA N N 15 125.592 0.00 . . . . . . . 160 ALA N . 28053 1 277 . 1 . 1 162 162 SER H H 1 7.564 0.03 . . . . . . . 162 SER H . 28053 1 278 . 1 . 1 162 162 SER N N 15 114.841 0.01 . . . . . . . 162 SER N . 28053 1 279 . 1 . 1 163 163 ARG H H 1 6.774 0.00 . . . . . . . 163 ARG H . 28053 1 280 . 1 . 1 163 163 ARG N N 15 114.632 0.00 . . . . . . . 163 ARG N . 28053 1 281 . 1 . 1 164 164 VAL H H 1 8.794 0.00 . . . . . . . 164 VAL H . 28053 1 282 . 1 . 1 164 164 VAL N N 15 123.834 0.00 . . . . . . . 164 VAL N . 28053 1 283 . 1 . 1 165 165 THR H H 1 8.768 0.00 . . . . . . . 165 THR H . 28053 1 284 . 1 . 1 165 165 THR N N 15 119.120 0.00 . . . . . . . 165 THR N . 28053 1 285 . 1 . 1 166 166 GLN H H 1 7.491 0.01 . . . . . . . 166 GLN H . 28053 1 286 . 1 . 1 166 166 GLN N N 15 121.445 0.01 . . . . . . . 166 GLN N . 28053 1 287 . 1 . 1 167 167 SER H H 1 8.447 0.00 . . . . . . . 167 SER H . 28053 1 288 . 1 . 1 167 167 SER N N 15 119.208 0.00 . . . . . . . 167 SER N . 28053 1 289 . 1 . 1 168 168 ASN H H 1 9.155 0.00 . . . . . . . 168 ASN H . 28053 1 290 . 1 . 1 168 168 ASN N N 15 126.272 0.00 . . . . . . . 168 ASN N . 28053 1 291 . 1 . 1 169 169 PHE H H 1 8.678 0.00 . . . . . . . 169 PHE H . 28053 1 292 . 1 . 1 169 169 PHE N N 15 118.259 0.00 . . . . . . . 169 PHE N . 28053 1 293 . 1 . 1 170 170 ALA H H 1 8.893 0.01 . . . . . . . 170 ALA H . 28053 1 294 . 1 . 1 170 170 ALA N N 15 122.642 0.05 . . . . . . . 170 ALA N . 28053 1 295 . 1 . 1 171 171 VAL H H 1 8.299 0.05 . . . . . . . 171 VAL H . 28053 1 296 . 1 . 1 171 171 VAL N N 15 117.258 0.13 . . . . . . . 171 VAL N . 28053 1 297 . 1 . 1 172 172 GLY H H 1 9.495 0.06 . . . . . . . 172 GLY H . 28053 1 298 . 1 . 1 172 172 GLY N N 15 113.478 0.14 . . . . . . . 172 GLY N . 28053 1 299 . 1 . 1 173 173 TYR H H 1 8.619 0.04 . . . . . . . 173 TYR H . 28053 1 300 . 1 . 1 173 173 TYR N N 15 119.811 0.08 . . . . . . . 173 TYR N . 28053 1 301 . 1 . 1 174 174 LYS H H 1 8.793 0.03 . . . . . . . 174 LYS H . 28053 1 302 . 1 . 1 174 174 LYS N N 15 129.712 0.38 . . . . . . . 174 LYS N . 28053 1 303 . 1 . 1 175 175 THR H H 1 8.693 0.02 . . . . . . . 175 THR H . 28053 1 304 . 1 . 1 175 175 THR N N 15 118.335 0.16 . . . . . . . 175 THR N . 28053 1 305 . 1 . 1 177 177 GLU H H 1 8.149 0.02 . . . . . . . 177 GLU H . 28053 1 306 . 1 . 1 177 177 GLU N N 15 114.707 0.16 . . . . . . . 177 GLU N . 28053 1 307 . 1 . 1 178 178 PHE H H 1 7.586 0.02 . . . . . . . 178 PHE H . 28053 1 308 . 1 . 1 178 178 PHE N N 15 120.284 0.23 . . . . . . . 178 PHE N . 28053 1 309 . 1 . 1 179 179 GLN H H 1 8.852 0.03 . . . . . . . 179 GLN H . 28053 1 310 . 1 . 1 179 179 GLN N N 15 121.918 0.35 . . . . . . . 179 GLN N . 28053 1 311 . 1 . 1 180 180 LEU H H 1 9.427 0.04 . . . . . . . 180 LEU H . 28053 1 312 . 1 . 1 180 180 LEU N N 15 127.997 0.24 . . . . . . . 180 LEU N . 28053 1 313 . 1 . 1 181 181 HIS H H 1 9.199 0.02 . . . . . . . 181 HIS H . 28053 1 314 . 1 . 1 181 181 HIS N N 15 128.827 0.29 . . . . . . . 181 HIS N . 28053 1 315 . 1 . 1 183 183 ASN H H 1 8.923 0.02 . . . . . . . 183 ASN H . 28053 1 316 . 1 . 1 183 183 ASN N N 15 116.911 0.25 . . . . . . . 183 ASN N . 28053 1 317 . 1 . 1 184 184 VAL H H 1 9.008 0.01 . . . . . . . 184 VAL H . 28053 1 318 . 1 . 1 184 184 VAL N N 15 118.900 0.18 . . . . . . . 184 VAL N . 28053 1 319 . 1 . 1 185 185 ASN H H 1 9.361 0.02 . . . . . . . 185 ASN H . 28053 1 320 . 1 . 1 185 185 ASN N N 15 129.021 0.04 . . . . . . . 185 ASN N . 28053 1 321 . 1 . 1 186 186 ASP H H 1 9.133 0.02 . . . . . . . 186 ASP H . 28053 1 322 . 1 . 1 186 186 ASP N N 15 125.980 0.17 . . . . . . . 186 ASP N . 28053 1 323 . 1 . 1 187 187 GLY H H 1 8.709 0.01 . . . . . . . 187 GLY H . 28053 1 324 . 1 . 1 187 187 GLY N N 15 105.816 0.15 . . . . . . . 187 GLY N . 28053 1 325 . 1 . 1 188 188 THR H H 1 7.712 0.01 . . . . . . . 188 THR H . 28053 1 326 . 1 . 1 188 188 THR N N 15 109.351 0.21 . . . . . . . 188 THR N . 28053 1 327 . 1 . 1 189 189 GLU H H 1 7.448 0.07 . . . . . . . 189 GLU H . 28053 1 328 . 1 . 1 189 189 GLU N N 15 123.385 0.10 . . . . . . . 189 GLU N . 28053 1 329 . 1 . 1 190 190 PHE H H 1 8.919 0.00 . . . . . . . 190 PHE H . 28053 1 330 . 1 . 1 190 190 PHE N N 15 125.955 0.00 . . . . . . . 190 PHE N . 28053 1 331 . 1 . 1 191 191 GLY H H 1 8.495 0.01 . . . . . . . 191 GLY H . 28053 1 332 . 1 . 1 191 191 GLY N N 15 110.630 0.37 . . . . . . . 191 GLY N . 28053 1 333 . 1 . 1 192 192 GLY H H 1 8.676 0.01 . . . . . . . 192 GLY H . 28053 1 334 . 1 . 1 192 192 GLY N N 15 105.882 0.06 . . . . . . . 192 GLY N . 28053 1 335 . 1 . 1 193 193 SER H H 1 9.784 0.04 . . . . . . . 193 SER H . 28053 1 336 . 1 . 1 193 193 SER N N 15 114.740 0.21 . . . . . . . 193 SER N . 28053 1 337 . 1 . 1 194 194 ILE H H 1 8.831 0.00 . . . . . . . 194 ILE H . 28053 1 338 . 1 . 1 194 194 ILE N N 15 119.187 0.00 . . . . . . . 194 ILE N . 28053 1 339 . 1 . 1 195 195 TYR H H 1 8.814 0.05 . . . . . . . 195 TYR H . 28053 1 340 . 1 . 1 195 195 TYR N N 15 127.837 0.08 . . . . . . . 195 TYR N . 28053 1 341 . 1 . 1 196 196 GLN H H 1 8.345 0.05 . . . . . . . 196 GLN H . 28053 1 342 . 1 . 1 196 196 GLN N N 15 125.946 0.03 . . . . . . . 196 GLN N . 28053 1 343 . 1 . 1 197 197 LYS H H 1 8.645 0.00 . . . . . . . 197 LYS H . 28053 1 344 . 1 . 1 197 197 LYS N N 15 129.337 0.00 . . . . . . . 197 LYS N . 28053 1 345 . 1 . 1 198 198 VAL H H 1 8.451 0.04 . . . . . . . 198 VAL H . 28053 1 346 . 1 . 1 198 198 VAL N N 15 130.516 0.04 . . . . . . . 198 VAL N . 28053 1 347 . 1 . 1 202 202 LEU H H 1 7.596 0.02 . . . . . . . 202 LEU H . 28053 1 348 . 1 . 1 202 202 LEU N N 15 122.737 0.07 . . . . . . . 202 LEU N . 28053 1 349 . 1 . 1 203 203 GLU H H 1 8.872 0.02 . . . . . . . 203 GLU H . 28053 1 350 . 1 . 1 203 203 GLU N N 15 125.722 0.11 . . . . . . . 203 GLU N . 28053 1 351 . 1 . 1 204 204 THR H H 1 8.624 0.08 . . . . . . . 204 THR H . 28053 1 352 . 1 . 1 204 204 THR N N 15 112.797 0.10 . . . . . . . 204 THR N . 28053 1 353 . 1 . 1 205 205 ALA H H 1 9.075 0.00 . . . . . . . 205 ALA H . 28053 1 354 . 1 . 1 205 205 ALA N N 15 122.245 0.00 . . . . . . . 205 ALA N . 28053 1 355 . 1 . 1 206 206 VAL H H 1 9.034 0.00 . . . . . . . 206 VAL H . 28053 1 356 . 1 . 1 206 206 VAL N N 15 117.501 0.28 . . . . . . . 206 VAL N . 28053 1 357 . 1 . 1 207 207 ASN H H 1 8.863 0.07 . . . . . . . 207 ASN H . 28053 1 358 . 1 . 1 207 207 ASN N N 15 123.148 0.03 . . . . . . . 207 ASN N . 28053 1 359 . 1 . 1 208 208 LEU H H 1 8.734 0.11 . . . . . . . 208 LEU H . 28053 1 360 . 1 . 1 208 208 LEU N N 15 122.159 0.06 . . . . . . . 208 LEU N . 28053 1 361 . 1 . 1 209 209 ALA H H 1 9.237 0.00 . . . . . . . 209 ALA H . 28053 1 362 . 1 . 1 209 209 ALA N N 15 126.585 0.00 . . . . . . . 209 ALA N . 28053 1 363 . 1 . 1 210 210 TRP H H 1 8.973 0.00 . . . . . . . 210 TRP H . 28053 1 364 . 1 . 1 210 210 TRP N N 15 121.575 0.00 . . . . . . . 210 TRP N . 28053 1 365 . 1 . 1 211 211 THR H H 1 8.474 0.03 . . . . . . . 211 THR H . 28053 1 366 . 1 . 1 211 211 THR N N 15 120.926 0.03 . . . . . . . 211 THR N . 28053 1 367 . 1 . 1 212 212 ALA H H 1 8.529 0.16 . . . . . . . 212 ALA H . 28053 1 368 . 1 . 1 212 212 ALA N N 15 127.465 0.22 . . . . . . . 212 ALA N . 28053 1 369 . 1 . 1 213 213 GLY H H 1 8.648 0.09 . . . . . . . 213 GLY H . 28053 1 370 . 1 . 1 213 213 GLY N N 15 110.511 0.14 . . . . . . . 213 GLY N . 28053 1 371 . 1 . 1 214 214 ASN H H 1 7.890 0.15 . . . . . . . 214 ASN H . 28053 1 372 . 1 . 1 214 214 ASN N N 15 118.782 0.48 . . . . . . . 214 ASN N . 28053 1 373 . 1 . 1 216 216 ASN H H 1 8.289 0.11 . . . . . . . 216 ASN H . 28053 1 374 . 1 . 1 216 216 ASN N N 15 120.412 0.21 . . . . . . . 216 ASN N . 28053 1 375 . 1 . 1 217 217 THR H H 1 8.489 0.03 . . . . . . . 217 THR H . 28053 1 376 . 1 . 1 217 217 THR N N 15 120.014 0.44 . . . . . . . 217 THR N . 28053 1 377 . 1 . 1 218 218 ARG H H 1 9.033 0.00 . . . . . . . 218 ARG H . 28053 1 378 . 1 . 1 218 218 ARG N N 15 125.897 0.00 . . . . . . . 218 ARG N . 28053 1 379 . 1 . 1 219 219 PHE H H 1 8.076 0.00 . . . . . . . 219 PHE H . 28053 1 380 . 1 . 1 219 219 PHE N N 15 120.010 0.03 . . . . . . . 219 PHE N . 28053 1 381 . 1 . 1 220 220 GLY H H 1 8.567 0.07 . . . . . . . 220 GLY H . 28053 1 382 . 1 . 1 220 220 GLY N N 15 108.374 0.16 . . . . . . . 220 GLY N . 28053 1 383 . 1 . 1 221 221 ILE H H 1 8.825 0.05 . . . . . . . 221 ILE H . 28053 1 384 . 1 . 1 221 221 ILE N N 15 118.727 0.04 . . . . . . . 221 ILE N . 28053 1 385 . 1 . 1 222 222 ALA H H 1 8.950 0.02 . . . . . . . 222 ALA H . 28053 1 386 . 1 . 1 222 222 ALA N N 15 126.595 0.03 . . . . . . . 222 ALA N . 28053 1 387 . 1 . 1 223 223 ALA H H 1 9.232 0.01 . . . . . . . 223 ALA H . 28053 1 388 . 1 . 1 223 223 ALA N N 15 119.376 0.00 . . . . . . . 223 ALA N . 28053 1 389 . 1 . 1 224 224 LYS H H 1 8.840 0.07 . . . . . . . 224 LYS H . 28053 1 390 . 1 . 1 224 224 LYS N N 15 123.111 0.03 . . . . . . . 224 LYS N . 28053 1 391 . 1 . 1 225 225 TYR H H 1 9.859 0.05 . . . . . . . 225 TYR H . 28053 1 392 . 1 . 1 225 225 TYR N N 15 129.078 0.37 . . . . . . . 225 TYR N . 28053 1 393 . 1 . 1 226 226 GLN H H 1 9.059 0.04 . . . . . . . 226 GLN H . 28053 1 394 . 1 . 1 226 226 GLN N N 15 131.728 0.05 . . . . . . . 226 GLN N . 28053 1 395 . 1 . 1 227 227 ILE H H 1 7.861 0.03 . . . . . . . 227 ILE H . 28053 1 396 . 1 . 1 227 227 ILE N N 15 130.450 0.09 . . . . . . . 227 ILE N . 28053 1 397 . 1 . 1 228 228 ASP H H 1 8.483 0.00 . . . . . . . 228 ASP H . 28053 1 398 . 1 . 1 228 228 ASP N N 15 118.338 0.00 . . . . . . . 228 ASP N . 28053 1 399 . 1 . 1 230 230 ASP H H 1 8.579 0.00 . . . . . . . 230 ASP H . 28053 1 400 . 1 . 1 230 230 ASP N N 15 114.774 0.25 . . . . . . . 230 ASP N . 28053 1 401 . 1 . 1 231 231 ALA H H 1 7.758 0.00 . . . . . . . 231 ALA H . 28053 1 402 . 1 . 1 231 231 ALA N N 15 124.376 0.00 . . . . . . . 231 ALA N . 28053 1 403 . 1 . 1 232 232 CYS H H 1 8.552 0.00 . . . . . . . 232 CYS H . 28053 1 404 . 1 . 1 232 232 CYS N N 15 119.115 0.10 . . . . . . . 232 CYS N . 28053 1 405 . 1 . 1 233 233 PHE H H 1 9.358 0.02 . . . . . . . 233 PHE H . 28053 1 406 . 1 . 1 233 233 PHE N N 15 128.192 0.01 . . . . . . . 233 PHE N . 28053 1 407 . 1 . 1 234 234 SER H H 1 9.360 0.00 . . . . . . . 234 SER H . 28053 1 408 . 1 . 1 234 234 SER N N 15 125.241 0.07 . . . . . . . 234 SER N . 28053 1 409 . 1 . 1 235 235 ALA H H 1 8.074 0.00 . . . . . . . 235 ALA H . 28053 1 410 . 1 . 1 235 235 ALA N N 15 122.921 0.00 . . . . . . . 235 ALA N . 28053 1 411 . 1 . 1 236 236 LYS H H 1 9.073 0.03 . . . . . . . 236 LYS H . 28053 1 412 . 1 . 1 236 236 LYS N N 15 115.153 0.13 . . . . . . . 236 LYS N . 28053 1 413 . 1 . 1 237 237 VAL H H 1 8.973 0.05 . . . . . . . 237 VAL H . 28053 1 414 . 1 . 1 237 237 VAL N N 15 117.475 0.28 . . . . . . . 237 VAL N . 28053 1 415 . 1 . 1 238 238 ASN H H 1 7.664 0.04 . . . . . . . 238 ASN H . 28053 1 416 . 1 . 1 238 238 ASN N N 15 122.207 0.16 . . . . . . . 238 ASN N . 28053 1 417 . 1 . 1 239 239 ASN H H 1 8.583 0.04 . . . . . . . 239 ASN H . 28053 1 418 . 1 . 1 239 239 ASN N N 15 114.078 0.01 . . . . . . . 239 ASN N . 28053 1 419 . 1 . 1 240 240 SER H H 1 7.925 0.03 . . . . . . . 240 SER H . 28053 1 420 . 1 . 1 240 240 SER N N 15 116.936 0.18 . . . . . . . 240 SER N . 28053 1 421 . 1 . 1 241 241 SER H H 1 8.233 0.01 . . . . . . . 241 SER H . 28053 1 422 . 1 . 1 241 241 SER N N 15 109.541 0.12 . . . . . . . 241 SER N . 28053 1 423 . 1 . 1 242 242 LEU H H 1 7.319 0.03 . . . . . . . 242 LEU H . 28053 1 424 . 1 . 1 242 242 LEU N N 15 118.744 0.15 . . . . . . . 242 LEU N . 28053 1 425 . 1 . 1 243 243 ILE H H 1 9.034 0.00 . . . . . . . 243 ILE H . 28053 1 426 . 1 . 1 243 243 ILE N N 15 125.882 0.00 . . . . . . . 243 ILE N . 28053 1 427 . 1 . 1 244 244 GLY H H 1 9.293 0.06 . . . . . . . 244 GLY H . 28053 1 428 . 1 . 1 244 244 GLY N N 15 114.434 0.07 . . . . . . . 244 GLY N . 28053 1 429 . 1 . 1 245 245 LEU H H 1 9.408 0.00 . . . . . . . 245 LEU H . 28053 1 430 . 1 . 1 245 245 LEU N N 15 122.422 0.08 . . . . . . . 245 LEU N . 28053 1 431 . 1 . 1 246 246 GLY H H 1 9.262 0.03 . . . . . . . 246 GLY H . 28053 1 432 . 1 . 1 246 246 GLY N N 15 110.842 0.03 . . . . . . . 246 GLY N . 28053 1 433 . 1 . 1 247 247 TYR H H 1 9.178 0.00 . . . . . . . 247 TYR H . 28053 1 434 . 1 . 1 247 247 TYR N N 15 125.674 0.00 . . . . . . . 247 TYR N . 28053 1 435 . 1 . 1 248 248 THR H H 1 8.362 0.04 . . . . . . . 248 THR H . 28053 1 436 . 1 . 1 248 248 THR N N 15 124.946 0.14 . . . . . . . 248 THR N . 28053 1 437 . 1 . 1 249 249 GLN H H 1 9.243 0.00 . . . . . . . 249 GLN H . 28053 1 438 . 1 . 1 249 249 GLN N N 15 127.124 0.00 . . . . . . . 249 GLN N . 28053 1 439 . 1 . 1 254 254 GLY H H 1 8.478 0.02 . . . . . . . 254 GLY H . 28053 1 440 . 1 . 1 254 254 GLY N N 15 110.600 0.40 . . . . . . . 254 GLY N . 28053 1 441 . 1 . 1 255 255 ILE H H 1 8.225 0.00 . . . . . . . 255 ILE H . 28053 1 442 . 1 . 1 255 255 ILE N N 15 121.013 0.00 . . . . . . . 255 ILE N . 28053 1 443 . 1 . 1 256 256 LYS H H 1 8.820 0.00 . . . . . . . 256 LYS H . 28053 1 444 . 1 . 1 256 256 LYS N N 15 126.537 0.00 . . . . . . . 256 LYS N . 28053 1 445 . 1 . 1 257 257 LEU H H 1 8.823 0.04 . . . . . . . 257 LEU H . 28053 1 446 . 1 . 1 257 257 LEU N N 15 127.826 0.07 . . . . . . . 257 LEU N . 28053 1 447 . 1 . 1 258 258 THR H H 1 9.645 0.01 . . . . . . . 258 THR H . 28053 1 448 . 1 . 1 258 258 THR N N 15 122.965 0.25 . . . . . . . 258 THR N . 28053 1 449 . 1 . 1 259 259 LEU H H 1 9.331 0.02 . . . . . . . 259 LEU H . 28053 1 450 . 1 . 1 259 259 LEU N N 15 129.163 0.25 . . . . . . . 259 LEU N . 28053 1 451 . 1 . 1 260 260 SER H H 1 8.831 0.02 . . . . . . . 260 SER H . 28053 1 452 . 1 . 1 260 260 SER N N 15 115.478 0.09 . . . . . . . 260 SER N . 28053 1 453 . 1 . 1 261 261 ALA H H 1 9.580 0.00 . . . . . . . 261 ALA H . 28053 1 454 . 1 . 1 261 261 ALA N N 15 120.611 0.00 . . . . . . . 261 ALA N . 28053 1 455 . 1 . 1 262 262 LEU H H 1 8.737 0.00 . . . . . . . 262 LEU H . 28053 1 456 . 1 . 1 262 262 LEU N N 15 124.919 0.00 . . . . . . . 262 LEU N . 28053 1 457 . 1 . 1 263 263 LEU H H 1 9.545 0.04 . . . . . . . 263 LEU H . 28053 1 458 . 1 . 1 263 263 LEU N N 15 126.072 0.07 . . . . . . . 263 LEU N . 28053 1 459 . 1 . 1 264 264 ASP H H 1 9.535 0.00 . . . . . . . 264 ASP H . 28053 1 460 . 1 . 1 264 264 ASP N N 15 123.919 0.00 . . . . . . . 264 ASP N . 28053 1 461 . 1 . 1 265 265 GLY H H 1 8.649 0.04 . . . . . . . 265 GLY H . 28053 1 462 . 1 . 1 265 265 GLY N N 15 113.195 0.43 . . . . . . . 265 GLY N . 28053 1 463 . 1 . 1 266 266 LYS H H 1 8.165 0.08 . . . . . . . 266 LYS H . 28053 1 464 . 1 . 1 266 266 LYS N N 15 117.153 0.73 . . . . . . . 266 LYS N . 28053 1 465 . 1 . 1 267 267 ASN H H 1 7.580 0.02 . . . . . . . 267 ASN H . 28053 1 466 . 1 . 1 267 267 ASN N N 15 118.029 0.08 . . . . . . . 267 ASN N . 28053 1 467 . 1 . 1 268 268 VAL H H 1 8.407 0.05 . . . . . . . 268 VAL H . 28053 1 468 . 1 . 1 268 268 VAL N N 15 122.166 0.05 . . . . . . . 268 VAL N . 28053 1 469 . 1 . 1 269 269 ASN H H 1 8.372 0.00 . . . . . . . 269 ASN H . 28053 1 470 . 1 . 1 269 269 ASN N N 15 117.275 0.18 . . . . . . . 269 ASN N . 28053 1 471 . 1 . 1 270 270 ALA H H 1 7.609 0.00 . . . . . . . 270 ALA H . 28053 1 472 . 1 . 1 270 270 ALA N N 15 121.348 0.00 . . . . . . . 270 ALA N . 28053 1 473 . 1 . 1 271 271 GLY H H 1 7.915 0.03 . . . . . . . 271 GLY H . 28053 1 474 . 1 . 1 271 271 GLY N N 15 106.758 0.05 . . . . . . . 271 GLY N . 28053 1 475 . 1 . 1 272 272 GLY H H 1 8.364 0.06 . . . . . . . 272 GLY H . 28053 1 476 . 1 . 1 272 272 GLY N N 15 109.038 0.10 . . . . . . . 272 GLY N . 28053 1 477 . 1 . 1 273 273 HIS H H 1 7.474 0.01 . . . . . . . 273 HIS H . 28053 1 478 . 1 . 1 273 273 HIS N N 15 120.206 0.10 . . . . . . . 273 HIS N . 28053 1 479 . 1 . 1 274 274 LYS H H 1 8.739 0.00 . . . . . . . 274 LYS H . 28053 1 480 . 1 . 1 274 274 LYS N N 15 119.501 0.00 . . . . . . . 274 LYS N . 28053 1 481 . 1 . 1 275 275 LEU H H 1 8.504 0.05 . . . . . . . 275 LEU H . 28053 1 482 . 1 . 1 275 275 LEU N N 15 122.100 0.00 . . . . . . . 275 LEU N . 28053 1 483 . 1 . 1 276 276 GLY H H 1 9.125 0.00 . . . . . . . 276 GLY H . 28053 1 484 . 1 . 1 276 276 GLY N N 15 111.373 0.00 . . . . . . . 276 GLY N . 28053 1 485 . 1 . 1 277 277 LEU H H 1 8.303 0.02 . . . . . . . 277 LEU H . 28053 1 486 . 1 . 1 277 277 LEU N N 15 121.339 0.19 . . . . . . . 277 LEU N . 28053 1 487 . 1 . 1 278 278 GLY H H 1 9.559 0.07 . . . . . . . 278 GLY H . 28053 1 488 . 1 . 1 278 278 GLY N N 15 115.676 0.16 . . . . . . . 278 GLY N . 28053 1 489 . 1 . 1 279 279 LEU H H 1 8.749 0.00 . . . . . . . 279 LEU H . 28053 1 490 . 1 . 1 279 279 LEU N N 15 124.938 0.00 . . . . . . . 279 LEU N . 28053 1 491 . 1 . 1 280 280 GLU H H 1 8.724 0.00 . . . . . . . 280 GLU H . 28053 1 492 . 1 . 1 280 280 GLU N N 15 124.872 0.00 . . . . . . . 280 GLU N . 28053 1 493 . 1 . 1 282 282 GLN H H 1 9.333 0.00 . . . . . . . 282 GLN H . 28053 1 494 . 1 . 1 282 282 GLN N N 15 125.139 0.00 . . . . . . . 282 GLN N . 28053 1 495 . 1 . 1 283 283 ALA H H 1 8.243 0.00 . . . . . . . 283 ALA H . 28053 1 496 . 1 . 1 283 283 ALA N N 15 126.993 0.00 . . . . . . . 283 ALA N . 28053 1 497 . 1 . 1 284 284 LEU H H 1 8.429 0.00 . . . . . . . 284 LEU H . 28053 1 498 . 1 . 1 284 284 LEU N N 15 123.393 0.00 . . . . . . . 284 LEU N . 28053 1 stop_ save_