data_52588 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52588 _Entry.Title ; NMR resonance assignments of FtsY at 298 K ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-08-20 _Entry.Accession_date 2024-08-20 _Entry.Last_release_date 2024-08-21 _Entry.Original_release_date 2024-08-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Peptide Nucleic Acids can form hairpins and bind RNA-binding proteins' _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 Biswaranjan Mohanty . . . 0000-0002-3924-039X 52588 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52588 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 338 52588 '15N chemical shifts' 161 52588 '1H chemical shifts' 161 52588 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 . . 2024-10-02 2024-08-20 update BMRB 'update entry citation' 52588 1 . . 2024-08-26 2024-08-20 original author 'original release' 52588 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52588 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39283902 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Peptide nucleic acids can form hairpins and bind RNA-binding proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS One' _Citation.Journal_name_full 'PloS one' _Citation.Journal_volume 19 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1932-6203 _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 e0310565 _Citation.Page_last e0310565 _Citation.Year 2024 _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 Yichen Zhong Y. . . . 52588 1 2 Lorna Wilkinson-White L. . . . 52588 1 3 Esther Zhang E. . . . 52588 1 4 Biswaranjan Mohanty B. . . . 52588 1 5 Belinda Zhang B. B. . . 52588 1 6 Madeline McRae M. S. . . 52588 1 7 Rachel Luo R. . . . 52588 1 8 Thomas Allport T. A. . . 52588 1 9 Anthony Duff A. P. . . 52588 1 10 Jennifer Zhao J. . . . 52588 1 11 Serene El-Kamand S. . . . 52588 1 12 Mar-Dean 'Du Plessis' M. D. . . 52588 1 13 Liza Cubeddu L. . . . 52588 1 14 Roland Gamsjaeger R. . . . 52588 1 15 Sandro Ataide S. F. . . 52588 1 16 Ann Kwan A. H. . . 52588 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Peptide Nucleic Acid, PNA, RNA mimic, RNA-binding proteins, modified RNA, drug discovery' 52588 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52588 _Assembly.ID 1 _Assembly.Name FtsY _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 FtsY 1 $entity_1 . . yes native no no . . . 52588 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52588 _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 ; GFARLKRSLLKTKENLGSGF ISLFRGKKIDDDLFEELEEQ LLIADVGVETTRKIITNLTE GASRKQLRDAEALYGLLKEE MGEILAKVDEPLNVEGKAPF VILMVGVNGVGKTTTIGKLA RQFEQQGKSVMLAAGDTFRA AAVEQLQVWGQRNNIPVIAQ HTGADSASVIFDAIQAAKAR NIDVLIADTAGRLQNKSHLM EELKKIVRVMKKLDVEAPHE VMLTIDASTGQNAVSQAKLF HEAVGLTGITLTKLDGTAKG GVIFSVADQFGIPIRYIGVG ERIEDLRPFKADDFIEALFA RED ; _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 303 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state Reduced _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'RNA binding protein' 52588 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 52588 1 2 . PHE . 52588 1 3 . ALA . 52588 1 4 . ARG . 52588 1 5 . LEU . 52588 1 6 . LYS . 52588 1 7 . ARG . 52588 1 8 . SER . 52588 1 9 . LEU . 52588 1 10 . LEU . 52588 1 11 . LYS . 52588 1 12 . THR . 52588 1 13 . LYS . 52588 1 14 . GLU . 52588 1 15 . ASN . 52588 1 16 . LEU . 52588 1 17 . GLY . 52588 1 18 . SER . 52588 1 19 . GLY . 52588 1 20 . PHE . 52588 1 21 . ILE . 52588 1 22 . SER . 52588 1 23 . LEU . 52588 1 24 . PHE . 52588 1 25 . ARG . 52588 1 26 . GLY . 52588 1 27 . LYS . 52588 1 28 . LYS . 52588 1 29 . ILE . 52588 1 30 . ASP . 52588 1 31 . ASP . 52588 1 32 . ASP . 52588 1 33 . LEU . 52588 1 34 . PHE . 52588 1 35 . GLU . 52588 1 36 . GLU . 52588 1 37 . LEU . 52588 1 38 . GLU . 52588 1 39 . GLU . 52588 1 40 . GLN . 52588 1 41 . LEU . 52588 1 42 . LEU . 52588 1 43 . ILE . 52588 1 44 . ALA . 52588 1 45 . ASP . 52588 1 46 . VAL . 52588 1 47 . GLY . 52588 1 48 . VAL . 52588 1 49 . GLU . 52588 1 50 . THR . 52588 1 51 . THR . 52588 1 52 . ARG . 52588 1 53 . LYS . 52588 1 54 . ILE . 52588 1 55 . ILE . 52588 1 56 . THR . 52588 1 57 . ASN . 52588 1 58 . LEU . 52588 1 59 . THR . 52588 1 60 . GLU . 52588 1 61 . GLY . 52588 1 62 . ALA . 52588 1 63 . SER . 52588 1 64 . ARG . 52588 1 65 . LYS . 52588 1 66 . GLN . 52588 1 67 . LEU . 52588 1 68 . ARG . 52588 1 69 . ASP . 52588 1 70 . ALA . 52588 1 71 . GLU . 52588 1 72 . ALA . 52588 1 73 . LEU . 52588 1 74 . TYR . 52588 1 75 . GLY . 52588 1 76 . LEU . 52588 1 77 . LEU . 52588 1 78 . LYS . 52588 1 79 . GLU . 52588 1 80 . GLU . 52588 1 81 . MET . 52588 1 82 . GLY . 52588 1 83 . GLU . 52588 1 84 . ILE . 52588 1 85 . LEU . 52588 1 86 . ALA . 52588 1 87 . LYS . 52588 1 88 . VAL . 52588 1 89 . ASP . 52588 1 90 . GLU . 52588 1 91 . PRO . 52588 1 92 . LEU . 52588 1 93 . ASN . 52588 1 94 . VAL . 52588 1 95 . GLU . 52588 1 96 . GLY . 52588 1 97 . LYS . 52588 1 98 . ALA . 52588 1 99 . PRO . 52588 1 100 . PHE . 52588 1 101 . VAL . 52588 1 102 . ILE . 52588 1 103 . LEU . 52588 1 104 . MET . 52588 1 105 . VAL . 52588 1 106 . GLY . 52588 1 107 . VAL . 52588 1 108 . ASN . 52588 1 109 . GLY . 52588 1 110 . VAL . 52588 1 111 . GLY . 52588 1 112 . LYS . 52588 1 113 . THR . 52588 1 114 . THR . 52588 1 115 . THR . 52588 1 116 . ILE . 52588 1 117 . GLY . 52588 1 118 . LYS . 52588 1 119 . LEU . 52588 1 120 . ALA . 52588 1 121 . ARG . 52588 1 122 . GLN . 52588 1 123 . PHE . 52588 1 124 . GLU . 52588 1 125 . GLN . 52588 1 126 . GLN . 52588 1 127 . GLY . 52588 1 128 . LYS . 52588 1 129 . SER . 52588 1 130 . VAL . 52588 1 131 . MET . 52588 1 132 . LEU . 52588 1 133 . ALA . 52588 1 134 . ALA . 52588 1 135 . GLY . 52588 1 136 . ASP . 52588 1 137 . THR . 52588 1 138 . PHE . 52588 1 139 . ARG . 52588 1 140 . ALA . 52588 1 141 . ALA . 52588 1 142 . ALA . 52588 1 143 . VAL . 52588 1 144 . GLU . 52588 1 145 . GLN . 52588 1 146 . LEU . 52588 1 147 . GLN . 52588 1 148 . VAL . 52588 1 149 . TRP . 52588 1 150 . GLY . 52588 1 151 . GLN . 52588 1 152 . ARG . 52588 1 153 . ASN . 52588 1 154 . ASN . 52588 1 155 . ILE . 52588 1 156 . PRO . 52588 1 157 . VAL . 52588 1 158 . ILE . 52588 1 159 . ALA . 52588 1 160 . GLN . 52588 1 161 . HIS . 52588 1 162 . THR . 52588 1 163 . GLY . 52588 1 164 . ALA . 52588 1 165 . ASP . 52588 1 166 . SER . 52588 1 167 . ALA . 52588 1 168 . SER . 52588 1 169 . VAL . 52588 1 170 . ILE . 52588 1 171 . PHE . 52588 1 172 . ASP . 52588 1 173 . ALA . 52588 1 174 . ILE . 52588 1 175 . GLN . 52588 1 176 . ALA . 52588 1 177 . ALA . 52588 1 178 . LYS . 52588 1 179 . ALA . 52588 1 180 . ARG . 52588 1 181 . ASN . 52588 1 182 . ILE . 52588 1 183 . ASP . 52588 1 184 . VAL . 52588 1 185 . LEU . 52588 1 186 . ILE . 52588 1 187 . ALA . 52588 1 188 . ASP . 52588 1 189 . THR . 52588 1 190 . ALA . 52588 1 191 . GLY . 52588 1 192 . ARG . 52588 1 193 . LEU . 52588 1 194 . GLN . 52588 1 195 . ASN . 52588 1 196 . LYS . 52588 1 197 . SER . 52588 1 198 . HIS . 52588 1 199 . LEU . 52588 1 200 . MET . 52588 1 201 . GLU . 52588 1 202 . GLU . 52588 1 203 . LEU . 52588 1 204 . LYS . 52588 1 205 . LYS . 52588 1 206 . ILE . 52588 1 207 . VAL . 52588 1 208 . ARG . 52588 1 209 . VAL . 52588 1 210 . MET . 52588 1 211 . LYS . 52588 1 212 . LYS . 52588 1 213 . LEU . 52588 1 214 . ASP . 52588 1 215 . VAL . 52588 1 216 . GLU . 52588 1 217 . ALA . 52588 1 218 . PRO . 52588 1 219 . HIS . 52588 1 220 . GLU . 52588 1 221 . VAL . 52588 1 222 . MET . 52588 1 223 . LEU . 52588 1 224 . THR . 52588 1 225 . ILE . 52588 1 226 . ASP . 52588 1 227 . ALA . 52588 1 228 . SER . 52588 1 229 . THR . 52588 1 230 . GLY . 52588 1 231 . GLN . 52588 1 232 . ASN . 52588 1 233 . ALA . 52588 1 234 . VAL . 52588 1 235 . SER . 52588 1 236 . GLN . 52588 1 237 . ALA . 52588 1 238 . LYS . 52588 1 239 . LEU . 52588 1 240 . PHE . 52588 1 241 . HIS . 52588 1 242 . GLU . 52588 1 243 . ALA . 52588 1 244 . VAL . 52588 1 245 . GLY . 52588 1 246 . LEU . 52588 1 247 . THR . 52588 1 248 . GLY . 52588 1 249 . ILE . 52588 1 250 . THR . 52588 1 251 . LEU . 52588 1 252 . THR . 52588 1 253 . LYS . 52588 1 254 . LEU . 52588 1 255 . ASP . 52588 1 256 . GLY . 52588 1 257 . THR . 52588 1 258 . ALA . 52588 1 259 . LYS . 52588 1 260 . GLY . 52588 1 261 . GLY . 52588 1 262 . VAL . 52588 1 263 . ILE . 52588 1 264 . PHE . 52588 1 265 . SER . 52588 1 266 . VAL . 52588 1 267 . ALA . 52588 1 268 . ASP . 52588 1 269 . GLN . 52588 1 270 . PHE . 52588 1 271 . GLY . 52588 1 272 . ILE . 52588 1 273 . PRO . 52588 1 274 . ILE . 52588 1 275 . ARG . 52588 1 276 . TYR . 52588 1 277 . ILE . 52588 1 278 . GLY . 52588 1 279 . VAL . 52588 1 280 . GLY . 52588 1 281 . GLU . 52588 1 282 . ARG . 52588 1 283 . ILE . 52588 1 284 . GLU . 52588 1 285 . ASP . 52588 1 286 . LEU . 52588 1 287 . ARG . 52588 1 288 . PRO . 52588 1 289 . PHE . 52588 1 290 . LYS . 52588 1 291 . ALA . 52588 1 292 . ASP . 52588 1 293 . ASP . 52588 1 294 . PHE . 52588 1 295 . ILE . 52588 1 296 . GLU . 52588 1 297 . ALA . 52588 1 298 . LEU . 52588 1 299 . PHE . 52588 1 300 . ALA . 52588 1 301 . ARG . 52588 1 302 . GLU . 52588 1 303 . ASP . 52588 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 . GLY 1 1 52588 1 . PHE 2 2 52588 1 . ALA 3 3 52588 1 . ARG 4 4 52588 1 . LEU 5 5 52588 1 . LYS 6 6 52588 1 . ARG 7 7 52588 1 . SER 8 8 52588 1 . LEU 9 9 52588 1 . LEU 10 10 52588 1 . LYS 11 11 52588 1 . THR 12 12 52588 1 . LYS 13 13 52588 1 . GLU 14 14 52588 1 . ASN 15 15 52588 1 . LEU 16 16 52588 1 . GLY 17 17 52588 1 . SER 18 18 52588 1 . GLY 19 19 52588 1 . PHE 20 20 52588 1 . ILE 21 21 52588 1 . SER 22 22 52588 1 . LEU 23 23 52588 1 . PHE 24 24 52588 1 . ARG 25 25 52588 1 . GLY 26 26 52588 1 . LYS 27 27 52588 1 . LYS 28 28 52588 1 . ILE 29 29 52588 1 . ASP 30 30 52588 1 . ASP 31 31 52588 1 . ASP 32 32 52588 1 . LEU 33 33 52588 1 . PHE 34 34 52588 1 . GLU 35 35 52588 1 . GLU 36 36 52588 1 . LEU 37 37 52588 1 . GLU 38 38 52588 1 . GLU 39 39 52588 1 . GLN 40 40 52588 1 . LEU 41 41 52588 1 . LEU 42 42 52588 1 . ILE 43 43 52588 1 . ALA 44 44 52588 1 . ASP 45 45 52588 1 . VAL 46 46 52588 1 . GLY 47 47 52588 1 . VAL 48 48 52588 1 . GLU 49 49 52588 1 . THR 50 50 52588 1 . THR 51 51 52588 1 . ARG 52 52 52588 1 . LYS 53 53 52588 1 . ILE 54 54 52588 1 . ILE 55 55 52588 1 . THR 56 56 52588 1 . ASN 57 57 52588 1 . LEU 58 58 52588 1 . THR 59 59 52588 1 . GLU 60 60 52588 1 . GLY 61 61 52588 1 . ALA 62 62 52588 1 . SER 63 63 52588 1 . ARG 64 64 52588 1 . LYS 65 65 52588 1 . GLN 66 66 52588 1 . LEU 67 67 52588 1 . ARG 68 68 52588 1 . ASP 69 69 52588 1 . ALA 70 70 52588 1 . GLU 71 71 52588 1 . ALA 72 72 52588 1 . LEU 73 73 52588 1 . TYR 74 74 52588 1 . GLY 75 75 52588 1 . LEU 76 76 52588 1 . LEU 77 77 52588 1 . LYS 78 78 52588 1 . GLU 79 79 52588 1 . GLU 80 80 52588 1 . MET 81 81 52588 1 . GLY 82 82 52588 1 . GLU 83 83 52588 1 . ILE 84 84 52588 1 . LEU 85 85 52588 1 . ALA 86 86 52588 1 . LYS 87 87 52588 1 . VAL 88 88 52588 1 . ASP 89 89 52588 1 . GLU 90 90 52588 1 . PRO 91 91 52588 1 . LEU 92 92 52588 1 . ASN 93 93 52588 1 . VAL 94 94 52588 1 . GLU 95 95 52588 1 . GLY 96 96 52588 1 . LYS 97 97 52588 1 . ALA 98 98 52588 1 . PRO 99 99 52588 1 . PHE 100 100 52588 1 . VAL 101 101 52588 1 . ILE 102 102 52588 1 . LEU 103 103 52588 1 . MET 104 104 52588 1 . VAL 105 105 52588 1 . GLY 106 106 52588 1 . VAL 107 107 52588 1 . ASN 108 108 52588 1 . GLY 109 109 52588 1 . VAL 110 110 52588 1 . GLY 111 111 52588 1 . LYS 112 112 52588 1 . THR 113 113 52588 1 . THR 114 114 52588 1 . THR 115 115 52588 1 . ILE 116 116 52588 1 . GLY 117 117 52588 1 . LYS 118 118 52588 1 . LEU 119 119 52588 1 . ALA 120 120 52588 1 . ARG 121 121 52588 1 . GLN 122 122 52588 1 . PHE 123 123 52588 1 . GLU 124 124 52588 1 . GLN 125 125 52588 1 . GLN 126 126 52588 1 . GLY 127 127 52588 1 . LYS 128 128 52588 1 . SER 129 129 52588 1 . VAL 130 130 52588 1 . MET 131 131 52588 1 . LEU 132 132 52588 1 . ALA 133 133 52588 1 . ALA 134 134 52588 1 . GLY 135 135 52588 1 . ASP 136 136 52588 1 . THR 137 137 52588 1 . PHE 138 138 52588 1 . ARG 139 139 52588 1 . ALA 140 140 52588 1 . ALA 141 141 52588 1 . ALA 142 142 52588 1 . VAL 143 143 52588 1 . GLU 144 144 52588 1 . GLN 145 145 52588 1 . LEU 146 146 52588 1 . GLN 147 147 52588 1 . VAL 148 148 52588 1 . TRP 149 149 52588 1 . GLY 150 150 52588 1 . GLN 151 151 52588 1 . ARG 152 152 52588 1 . ASN 153 153 52588 1 . ASN 154 154 52588 1 . ILE 155 155 52588 1 . PRO 156 156 52588 1 . VAL 157 157 52588 1 . ILE 158 158 52588 1 . ALA 159 159 52588 1 . GLN 160 160 52588 1 . HIS 161 161 52588 1 . THR 162 162 52588 1 . GLY 163 163 52588 1 . ALA 164 164 52588 1 . ASP 165 165 52588 1 . SER 166 166 52588 1 . ALA 167 167 52588 1 . SER 168 168 52588 1 . VAL 169 169 52588 1 . ILE 170 170 52588 1 . PHE 171 171 52588 1 . ASP 172 172 52588 1 . ALA 173 173 52588 1 . ILE 174 174 52588 1 . GLN 175 175 52588 1 . ALA 176 176 52588 1 . ALA 177 177 52588 1 . LYS 178 178 52588 1 . ALA 179 179 52588 1 . ARG 180 180 52588 1 . ASN 181 181 52588 1 . ILE 182 182 52588 1 . ASP 183 183 52588 1 . VAL 184 184 52588 1 . LEU 185 185 52588 1 . ILE 186 186 52588 1 . ALA 187 187 52588 1 . ASP 188 188 52588 1 . THR 189 189 52588 1 . ALA 190 190 52588 1 . GLY 191 191 52588 1 . ARG 192 192 52588 1 . LEU 193 193 52588 1 . GLN 194 194 52588 1 . ASN 195 195 52588 1 . LYS 196 196 52588 1 . SER 197 197 52588 1 . HIS 198 198 52588 1 . LEU 199 199 52588 1 . MET 200 200 52588 1 . GLU 201 201 52588 1 . GLU 202 202 52588 1 . LEU 203 203 52588 1 . LYS 204 204 52588 1 . LYS 205 205 52588 1 . ILE 206 206 52588 1 . VAL 207 207 52588 1 . ARG 208 208 52588 1 . VAL 209 209 52588 1 . MET 210 210 52588 1 . LYS 211 211 52588 1 . LYS 212 212 52588 1 . LEU 213 213 52588 1 . ASP 214 214 52588 1 . VAL 215 215 52588 1 . GLU 216 216 52588 1 . ALA 217 217 52588 1 . PRO 218 218 52588 1 . HIS 219 219 52588 1 . GLU 220 220 52588 1 . VAL 221 221 52588 1 . MET 222 222 52588 1 . LEU 223 223 52588 1 . THR 224 224 52588 1 . ILE 225 225 52588 1 . ASP 226 226 52588 1 . ALA 227 227 52588 1 . SER 228 228 52588 1 . THR 229 229 52588 1 . GLY 230 230 52588 1 . GLN 231 231 52588 1 . ASN 232 232 52588 1 . ALA 233 233 52588 1 . VAL 234 234 52588 1 . SER 235 235 52588 1 . GLN 236 236 52588 1 . ALA 237 237 52588 1 . LYS 238 238 52588 1 . LEU 239 239 52588 1 . PHE 240 240 52588 1 . HIS 241 241 52588 1 . GLU 242 242 52588 1 . ALA 243 243 52588 1 . VAL 244 244 52588 1 . GLY 245 245 52588 1 . LEU 246 246 52588 1 . THR 247 247 52588 1 . GLY 248 248 52588 1 . ILE 249 249 52588 1 . THR 250 250 52588 1 . LEU 251 251 52588 1 . THR 252 252 52588 1 . LYS 253 253 52588 1 . LEU 254 254 52588 1 . ASP 255 255 52588 1 . GLY 256 256 52588 1 . THR 257 257 52588 1 . ALA 258 258 52588 1 . LYS 259 259 52588 1 . GLY 260 260 52588 1 . GLY 261 261 52588 1 . VAL 262 262 52588 1 . ILE 263 263 52588 1 . PHE 264 264 52588 1 . SER 265 265 52588 1 . VAL 266 266 52588 1 . ALA 267 267 52588 1 . ASP 268 268 52588 1 . GLN 269 269 52588 1 . PHE 270 270 52588 1 . GLY 271 271 52588 1 . ILE 272 272 52588 1 . PRO 273 273 52588 1 . ILE 274 274 52588 1 . ARG 275 275 52588 1 . TYR 276 276 52588 1 . ILE 277 277 52588 1 . GLY 278 278 52588 1 . VAL 279 279 52588 1 . GLY 280 280 52588 1 . GLU 281 281 52588 1 . ARG 282 282 52588 1 . ILE 283 283 52588 1 . GLU 284 284 52588 1 . ASP 285 285 52588 1 . LEU 286 286 52588 1 . ARG 287 287 52588 1 . PRO 288 288 52588 1 . PHE 289 289 52588 1 . LYS 290 290 52588 1 . ALA 291 291 52588 1 . ASP 292 292 52588 1 . ASP 293 293 52588 1 . PHE 294 294 52588 1 . ILE 295 295 52588 1 . GLU 296 296 52588 1 . ALA 297 297 52588 1 . LEU 298 298 52588 1 . PHE 299 299 52588 1 . ALA 300 300 52588 1 . ARG 301 301 52588 1 . GLU 302 302 52588 1 . ASP 303 303 52588 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 52588 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 52588 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 52588 _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 . . pET15b . . . 52588 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52588 _Sample.ID 1 _Sample.Name FtsY _Sample.Type solution _Sample.Sub_type . _Sample.Details '150-300 uM 2H13C15N-FtsY in 25 mM sodium phosphate pH 6.0, 150 mM NaCl, 1 mM DTT' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FtsY '[U-100% 13C; U-100% 15N] with fractional deuteration' . . 1 $entity_1 . . 225 150 300 uM . . . . 52588 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 52588 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 52588 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 52588 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 52588 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'NMR buffer' _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' 150 . mM 52588 1 pH 6.0 . pH 52588 1 pressure 1 . atm 52588 1 temperature 298 . K 52588 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52588 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data collection and processing' . 52588 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52588 _Software.ID 2 _Software.Type . _Software.Name NMRbox _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data processing' . 52588 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52588 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'Resonance assignments' . 52588 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52588 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '800 MHz spectrometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 52588 _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 '3D TROSY HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52588 1 2 '2D 15N-1H TROSY-HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52588 1 3 '3D TRSOY HN(CO)CA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52588 1 4 '3D TROSY HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52588 1 5 '3D TROSY HNCB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52588 1 6 '3D TROSY HN(CO)CACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52588 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 52588 _Computing_platform.ID 1 _Computing_platform.Name NMRbox _Computing_platform.Reference_ID . _Computing_platform.Site NMRbox _Computing_platform.Site_reference_ID . _Computing_platform.Details https://nmrbox.nmrhub.org/ 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 52588 _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 . . . . . . 52588 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 52588 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 52588 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 52588 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name FtsY _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.25 _Assigned_chem_shift_list.Chem_shift_15N_err 0.25 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D TROSY HNCA' . . . 52588 1 2 '2D 15N-1H TROSY-HSQC' . . . 52588 1 3 '3D TRSOY HN(CO)CA' . . . 52588 1 4 '3D TROSY HNCACB' . . . 52588 1 5 '3D TROSY HNCB' . . . 52588 1 6 '3D TROSY HN(CO)CACB' . . . 52588 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 . . 52588 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 24 24 PHE CA C 13 54.885 0.25 . 1 . . . . . 24 F CA . 52588 1 2 . 1 . 1 24 24 PHE CB C 13 38.276 0.25 . 1 . . . . . 24 F CB . 52588 1 3 . 1 . 1 25 25 ARG H H 1 7.252 0.02 . 1 . . . . . 25 R H . 52588 1 4 . 1 . 1 25 25 ARG CA C 13 57.828 0.25 . 1 . . . . . 25 R CA . 52588 1 5 . 1 . 1 25 25 ARG CB C 13 28.747 0.25 . 1 . . . . . 25 R CB . 52588 1 6 . 1 . 1 25 25 ARG N N 15 118.157 0.25 . 1 . . . . . 25 R N . 52588 1 7 . 1 . 1 26 26 GLY H H 1 9.253 0.02 . 1 . . . . . 26 G H . 52588 1 8 . 1 . 1 26 26 GLY CA C 13 45.456 0.25 . 1 . . . . . 26 G CA . 52588 1 9 . 1 . 1 26 26 GLY N N 15 115.195 0.25 . 1 . . . . . 26 G N . 52588 1 10 . 1 . 1 27 27 LYS H H 1 7.645 0.02 . 1 . . . . . 27 K H . 52588 1 11 . 1 . 1 27 27 LYS CA C 13 54.807 0.25 . 1 . . . . . 27 K CA . 52588 1 12 . 1 . 1 27 27 LYS CB C 13 33.916 0.25 . 1 . . . . . 27 K CB . 52588 1 13 . 1 . 1 27 27 LYS N N 15 119.448 0.25 . 1 . . . . . 27 K N . 52588 1 14 . 1 . 1 28 28 LYS H H 1 8.463 0.02 . 1 . . . . . 28 K H . 52588 1 15 . 1 . 1 28 28 LYS CA C 13 53.458 0.25 . 1 . . . . . 28 K CA . 52588 1 16 . 1 . 1 28 28 LYS CB C 13 32.674 0.25 . 1 . . . . . 28 K CB . 52588 1 17 . 1 . 1 28 28 LYS N N 15 121.393 0.25 . 1 . . . . . 28 K N . 52588 1 18 . 1 . 1 29 29 ILE H H 1 7.830 0.02 . 1 . . . . . 29 I H . 52588 1 19 . 1 . 1 29 29 ILE CA C 13 62.559 0.25 . 1 . . . . . 29 I CA . 52588 1 20 . 1 . 1 29 29 ILE CB C 13 36.447 0.25 . 1 . . . . . 29 I CB . 52588 1 21 . 1 . 1 29 29 ILE N N 15 119.034 0.25 . 1 . . . . . 29 I N . 52588 1 22 . 1 . 1 30 30 ASP H H 1 6.984 0.02 . 1 . . . . . 30 D H . 52588 1 23 . 1 . 1 30 30 ASP CA C 13 51.888 0.25 . 1 . . . . . 30 D CA . 52588 1 24 . 1 . 1 30 30 ASP CB C 13 40.882 0.25 . 1 . . . . . 30 D CB . 52588 1 25 . 1 . 1 30 30 ASP N N 15 126.825 0.25 . 1 . . . . . 30 D N . 52588 1 26 . 1 . 1 31 31 ASP H H 1 8.272 0.02 . 1 . . . . . 31 D H . 52588 1 27 . 1 . 1 31 31 ASP CA C 13 57.358 0.25 . 1 . . . . . 31 D CA . 52588 1 28 . 1 . 1 31 31 ASP CB C 13 39.661 0.25 . 1 . . . . . 31 D CB . 52588 1 29 . 1 . 1 31 31 ASP N N 15 116.999 0.25 . 1 . . . . . 31 D N . 52588 1 30 . 1 . 1 32 32 ASP H H 1 7.808 0.02 . 1 . . . . . 32 D H . 52588 1 31 . 1 . 1 32 32 ASP CA C 13 56.946 0.25 . 1 . . . . . 32 D CA . 52588 1 32 . 1 . 1 32 32 ASP CB C 13 39.067 0.25 . 1 . . . . . 32 D CB . 52588 1 33 . 1 . 1 32 32 ASP N N 15 120.086 0.25 . 1 . . . . . 32 D N . 52588 1 34 . 1 . 1 33 33 LEU H H 1 7.867 0.02 . 1 . . . . . 33 L H . 52588 1 35 . 1 . 1 33 33 LEU CA C 13 56.754 0.25 . 1 . . . . . 33 L CA . 52588 1 36 . 1 . 1 33 33 LEU CB C 13 39.768 0.25 . 1 . . . . . 33 L CB . 52588 1 37 . 1 . 1 33 33 LEU N N 15 123.227 0.25 . 1 . . . . . 33 L N . 52588 1 38 . 1 . 1 34 34 PHE H H 1 7.449 0.02 . 1 . . . . . 34 F H . 52588 1 39 . 1 . 1 34 34 PHE CA C 13 62.548 0.25 . 1 . . . . . 34 F CA . 52588 1 40 . 1 . 1 34 34 PHE CB C 13 37.570 0.25 . 1 . . . . . 34 F CB . 52588 1 41 . 1 . 1 34 34 PHE N N 15 115.928 0.25 . 1 . . . . . 34 F N . 52588 1 42 . 1 . 1 35 35 GLU H H 1 7.988 0.02 . 1 . . . . . 35 E H . 52588 1 43 . 1 . 1 35 35 GLU CA C 13 59.384 0.25 . 1 . . . . . 35 E CA . 52588 1 44 . 1 . 1 35 35 GLU CB C 13 28.329 0.25 . 1 . . . . . 35 E CB . 52588 1 45 . 1 . 1 35 35 GLU N N 15 121.432 0.25 . 1 . . . . . 35 E N . 52588 1 46 . 1 . 1 36 36 GLU H H 1 7.887 0.02 . 1 . . . . . 36 E H . 52588 1 47 . 1 . 1 36 36 GLU CA C 13 58.989 0.25 . 1 . . . . . 36 E CA . 52588 1 48 . 1 . 1 36 36 GLU CB C 13 28.784 0.25 . 1 . . . . . 36 E CB . 52588 1 49 . 1 . 1 36 36 GLU N N 15 121.308 0.25 . 1 . . . . . 36 E N . 52588 1 50 . 1 . 1 37 37 LEU H H 1 8.597 0.02 . 1 . . . . . 37 L H . 52588 1 51 . 1 . 1 37 37 LEU CA C 13 57.134 0.25 . 1 . . . . . 37 L CA . 52588 1 52 . 1 . 1 37 37 LEU CB C 13 40.632 0.25 . 1 . . . . . 37 L CB . 52588 1 53 . 1 . 1 37 37 LEU N N 15 121.268 0.25 . 1 . . . . . 37 L N . 52588 1 54 . 1 . 1 38 38 GLU CA C 13 56.671 0.25 . 1 . . . . . 38 E CA . 52588 1 55 . 1 . 1 38 38 GLU CB C 13 29.975 0.25 . 1 . . . . . 38 E CB . 52588 1 56 . 1 . 1 39 39 GLU H H 1 8.654 0.02 . 1 . . . . . 39 E H . 52588 1 57 . 1 . 1 39 39 GLU CA C 13 55.623 0.25 . 1 . . . . . 39 E CA . 52588 1 58 . 1 . 1 39 39 GLU CB C 13 29.547 0.25 . 1 . . . . . 39 E CB . 52588 1 59 . 1 . 1 39 39 GLU N N 15 119.104 0.25 . 1 . . . . . 39 E N . 52588 1 60 . 1 . 1 40 40 GLN H H 1 8.463 0.02 . 1 . . . . . 40 Q H . 52588 1 61 . 1 . 1 40 40 GLN CA C 13 55.680 0.25 . 1 . . . . . 40 Q CA . 52588 1 62 . 1 . 1 40 40 GLN CB C 13 29.378 0.25 . 1 . . . . . 40 Q CB . 52588 1 63 . 1 . 1 40 40 GLN N N 15 121.930 0.25 . 1 . . . . . 40 Q N . 52588 1 64 . 1 . 1 41 41 LEU H H 1 7.967 0.02 . 1 . . . . . 41 L H . 52588 1 65 . 1 . 1 41 41 LEU CA C 13 55.456 0.25 . 1 . . . . . 41 L CA . 52588 1 66 . 1 . 1 41 41 LEU CB C 13 41.314 0.25 . 1 . . . . . 41 L CB . 52588 1 67 . 1 . 1 41 41 LEU N N 15 127.328 0.25 . 1 . . . . . 41 L N . 52588 1 68 . 1 . 1 52 52 ARG CA C 13 59.634 0.25 . 1 . . . . . 52 R CA . 52588 1 69 . 1 . 1 52 52 ARG CB C 13 31.387 0.25 . 1 . . . . . 52 R CB . 52588 1 70 . 1 . 1 53 53 LYS H H 1 7.829 0.02 . 1 . . . . . 53 K H . 52588 1 71 . 1 . 1 53 53 LYS CA C 13 59.328 0.25 . 1 . . . . . 53 K CA . 52588 1 72 . 1 . 1 53 53 LYS CB C 13 30.902 0.25 . 1 . . . . . 53 K CB . 52588 1 73 . 1 . 1 53 53 LYS N N 15 121.469 0.25 . 1 . . . . . 53 K N . 52588 1 74 . 1 . 1 54 54 ILE H H 1 7.844 0.02 . 1 . . . . . 54 I H . 52588 1 75 . 1 . 1 54 54 ILE CA C 13 65.283 0.25 . 1 . . . . . 54 I CA . 52588 1 76 . 1 . 1 54 54 ILE CB C 13 37.185 0.25 . 1 . . . . . 54 I CB . 52588 1 77 . 1 . 1 54 54 ILE N N 15 119.179 0.25 . 1 . . . . . 54 I N . 52588 1 78 . 1 . 1 55 55 ILE H H 1 8.566 0.02 . 1 . . . . . 55 I H . 52588 1 79 . 1 . 1 55 55 ILE CA C 13 62.303 0.25 . 1 . . . . . 55 I CA . 52588 1 80 . 1 . 1 55 55 ILE CB C 13 34.330 0.25 . 1 . . . . . 55 I CB . 52588 1 81 . 1 . 1 55 55 ILE N N 15 118.256 0.25 . 1 . . . . . 55 I N . 52588 1 82 . 1 . 1 56 56 THR H H 1 8.430 0.02 . 1 . . . . . 56 T H . 52588 1 83 . 1 . 1 56 56 THR CA C 13 66.783 0.25 . 1 . . . . . 56 T CA . 52588 1 84 . 1 . 1 56 56 THR CB C 13 67.939 0.25 . 1 . . . . . 56 T CB . 52588 1 85 . 1 . 1 56 56 THR N N 15 119.922 0.25 . 1 . . . . . 56 T N . 52588 1 86 . 1 . 1 57 57 ASN H H 1 8.034 0.02 . 1 . . . . . 57 N H . 52588 1 87 . 1 . 1 57 57 ASN CA C 13 55.122 0.25 . 1 . . . . . 57 N CA . 52588 1 88 . 1 . 1 57 57 ASN CB C 13 35.748 0.25 . 1 . . . . . 57 N CB . 52588 1 89 . 1 . 1 57 57 ASN N N 15 121.637 0.25 . 1 . . . . . 57 N N . 52588 1 90 . 1 . 1 58 58 LEU H H 1 8.712 0.02 . 1 . . . . . 58 L H . 52588 1 91 . 1 . 1 58 58 LEU CA C 13 57.257 0.25 . 1 . . . . . 58 L CA . 52588 1 92 . 1 . 1 58 58 LEU CB C 13 42.174 0.25 . 1 . . . . . 58 L CB . 52588 1 93 . 1 . 1 58 58 LEU N N 15 123.557 0.25 . 1 . . . . . 58 L N . 52588 1 94 . 1 . 1 59 59 THR H H 1 8.142 0.02 . 1 . . . . . 59 T H . 52588 1 95 . 1 . 1 59 59 THR CA C 13 65.606 0.25 . 1 . . . . . 59 T CA . 52588 1 96 . 1 . 1 59 59 THR CB C 13 67.636 0.25 . 1 . . . . . 59 T CB . 52588 1 97 . 1 . 1 59 59 THR N N 15 115.103 0.25 . 1 . . . . . 59 T N . 52588 1 98 . 1 . 1 60 60 GLU H H 1 7.649 0.02 . 1 . . . . . 60 E H . 52588 1 99 . 1 . 1 60 60 GLU CA C 13 58.590 0.25 . 1 . . . . . 60 E CA . 52588 1 100 . 1 . 1 60 60 GLU CB C 13 28.280 0.25 . 1 . . . . . 60 E CB . 52588 1 101 . 1 . 1 60 60 GLU N N 15 122.478 0.25 . 1 . . . . . 60 E N . 52588 1 102 . 1 . 1 61 61 GLY H H 1 8.187 0.02 . 1 . . . . . 61 G H . 52588 1 103 . 1 . 1 61 61 GLY CA C 13 46.575 0.25 . 1 . . . . . 61 G CA . 52588 1 104 . 1 . 1 61 61 GLY N N 15 108.313 0.25 . 1 . . . . . 61 G N . 52588 1 105 . 1 . 1 62 62 ALA H H 1 8.594 0.02 . 1 . . . . . 62 A H . 52588 1 106 . 1 . 1 62 62 ALA CA C 13 54.415 0.25 . 1 . . . . . 62 A CA . 52588 1 107 . 1 . 1 62 62 ALA CB C 13 17.048 0.25 . 1 . . . . . 62 A CB . 52588 1 108 . 1 . 1 62 62 ALA N N 15 122.668 0.25 . 1 . . . . . 62 A N . 52588 1 109 . 1 . 1 63 63 SER H H 1 7.498 0.02 . 1 . . . . . 63 S H . 52588 1 110 . 1 . 1 63 63 SER CA C 13 60.434 0.25 . 1 . . . . . 63 S CA . 52588 1 111 . 1 . 1 63 63 SER CB C 13 62.548 0.25 . 1 . . . . . 63 S CB . 52588 1 112 . 1 . 1 63 63 SER N N 15 112.210 0.25 . 1 . . . . . 63 S N . 52588 1 113 . 1 . 1 64 64 ARG H H 1 8.291 0.02 . 1 . . . . . 64 R H . 52588 1 114 . 1 . 1 64 64 ARG CA C 13 58.667 0.25 . 1 . . . . . 64 R CA . 52588 1 115 . 1 . 1 64 64 ARG CB C 13 29.107 0.25 . 1 . . . . . 64 R CB . 52588 1 116 . 1 . 1 64 64 ARG N N 15 122.740 0.25 . 1 . . . . . 64 R N . 52588 1 117 . 1 . 1 65 65 LYS H H 1 7.639 0.02 . 1 . . . . . 65 K H . 52588 1 118 . 1 . 1 65 65 LYS CA C 13 55.717 0.25 . 1 . . . . . 65 K CA . 52588 1 119 . 1 . 1 65 65 LYS CB C 13 31.665 0.25 . 1 . . . . . 65 K CB . 52588 1 120 . 1 . 1 65 65 LYS N N 15 115.770 0.25 . 1 . . . . . 65 K N . 52588 1 121 . 1 . 1 66 66 GLN H H 1 7.568 0.02 . 1 . . . . . 66 Q H . 52588 1 122 . 1 . 1 66 66 GLN CA C 13 55.831 0.25 . 1 . . . . . 66 Q CA . 52588 1 123 . 1 . 1 66 66 GLN CB C 13 25.042 0.25 . 1 . . . . . 66 Q CB . 52588 1 124 . 1 . 1 66 66 GLN N N 15 116.453 0.25 . 1 . . . . . 66 Q N . 52588 1 125 . 1 . 1 67 67 LEU H H 1 7.906 0.02 . 1 . . . . . 67 L H . 52588 1 126 . 1 . 1 67 67 LEU CA C 13 54.664 0.25 . 1 . . . . . 67 L CA . 52588 1 127 . 1 . 1 67 67 LEU CB C 13 41.640 0.25 . 1 . . . . . 67 L CB . 52588 1 128 . 1 . 1 67 67 LEU N N 15 117.248 0.25 . 1 . . . . . 67 L N . 52588 1 129 . 1 . 1 68 68 ARG CA C 13 55.683 0.25 . 1 . . . . . 68 R CA . 52588 1 130 . 1 . 1 68 68 ARG CB C 13 31.700 0.25 . 1 . . . . . 68 R CB . 52588 1 131 . 1 . 1 69 69 ASP H H 1 7.681 0.02 . 1 . . . . . 69 D H . 52588 1 132 . 1 . 1 69 69 ASP CA C 13 53.200 0.25 . 1 . . . . . 69 D CA . 52588 1 133 . 1 . 1 69 69 ASP CB C 13 41.136 0.25 . 1 . . . . . 69 D CB . 52588 1 134 . 1 . 1 69 69 ASP N N 15 120.361 0.25 . 1 . . . . . 69 D N . 52588 1 135 . 1 . 1 70 70 ALA H H 1 8.463 0.02 . 1 . . . . . 70 A H . 52588 1 136 . 1 . 1 70 70 ALA CA C 13 54.207 0.25 . 1 . . . . . 70 A CA . 52588 1 137 . 1 . 1 70 70 ALA CB C 13 18.052 0.25 . 1 . . . . . 70 A CB . 52588 1 138 . 1 . 1 70 70 ALA N N 15 125.271 0.25 . 1 . . . . . 70 A N . 52588 1 139 . 1 . 1 71 71 GLU H H 1 8.916 0.02 . 1 . . . . . 71 E H . 52588 1 140 . 1 . 1 71 71 GLU CA C 13 59.840 0.25 . 1 . . . . . 71 E CA . 52588 1 141 . 1 . 1 71 71 GLU CB C 13 27.783 0.25 . 1 . . . . . 71 E CB . 52588 1 142 . 1 . 1 71 71 GLU N N 15 116.530 0.25 . 1 . . . . . 71 E N . 52588 1 143 . 1 . 1 72 72 ALA H H 1 7.530 0.02 . 1 . . . . . 72 A H . 52588 1 144 . 1 . 1 72 72 ALA CA C 13 53.164 0.25 . 1 . . . . . 72 A CA . 52588 1 145 . 1 . 1 72 72 ALA CB C 13 18.413 0.25 . 1 . . . . . 72 A CB . 52588 1 146 . 1 . 1 72 72 ALA N N 15 120.847 0.25 . 1 . . . . . 72 A N . 52588 1 147 . 1 . 1 73 73 LEU H H 1 7.739 0.02 . 1 . . . . . 73 L H . 52588 1 148 . 1 . 1 73 73 LEU CA C 13 55.437 0.25 . 1 . . . . . 73 L CA . 52588 1 149 . 1 . 1 73 73 LEU CB C 13 40.275 0.25 . 1 . . . . . 73 L CB . 52588 1 150 . 1 . 1 73 73 LEU N N 15 115.978 0.25 . 1 . . . . . 73 L N . 52588 1 151 . 1 . 1 74 74 TYR H H 1 7.425 0.02 . 1 . . . . . 74 Y H . 52588 1 152 . 1 . 1 74 74 TYR CA C 13 63.057 0.25 . 1 . . . . . 74 Y CA . 52588 1 153 . 1 . 1 74 74 TYR CB C 13 38.399 0.25 . 1 . . . . . 74 Y CB . 52588 1 154 . 1 . 1 74 74 TYR N N 15 120.835 0.25 . 1 . . . . . 74 Y N . 52588 1 155 . 1 . 1 75 75 GLY H H 1 8.302 0.02 . 1 . . . . . 75 G H . 52588 1 156 . 1 . 1 75 75 GLY CA C 13 46.040 0.25 . 1 . . . . . 75 G CA . 52588 1 157 . 1 . 1 75 75 GLY N N 15 130.050 0.25 . 1 . . . . . 75 G N . 52588 1 158 . 1 . 1 76 76 LEU H H 1 6.734 0.02 . 1 . . . . . 76 L H . 52588 1 159 . 1 . 1 76 76 LEU CA C 13 57.249 0.25 . 1 . . . . . 76 L CA . 52588 1 160 . 1 . 1 76 76 LEU CB C 13 40.597 0.25 . 1 . . . . . 76 L CB . 52588 1 161 . 1 . 1 76 76 LEU N N 15 121.440 0.25 . 1 . . . . . 76 L N . 52588 1 162 . 1 . 1 77 77 LEU H H 1 8.333 0.02 . 1 . . . . . 77 L H . 52588 1 163 . 1 . 1 77 77 LEU CA C 13 57.617 0.25 . 1 . . . . . 77 L CA . 52588 1 164 . 1 . 1 77 77 LEU CB C 13 40.356 0.25 . 1 . . . . . 77 L CB . 52588 1 165 . 1 . 1 77 77 LEU N N 15 121.720 0.25 . 1 . . . . . 77 L N . 52588 1 166 . 1 . 1 78 78 LYS H H 1 7.608 0.02 . 1 . . . . . 78 K H . 52588 1 167 . 1 . 1 78 78 LYS CA C 13 59.527 0.25 . 1 . . . . . 78 K CA . 52588 1 168 . 1 . 1 78 78 LYS CB C 13 31.016 0.25 . 1 . . . . . 78 K CB . 52588 1 169 . 1 . 1 78 78 LYS N N 15 120.853 0.25 . 1 . . . . . 78 K N . 52588 1 170 . 1 . 1 79 79 GLU H H 1 7.289 0.02 . 1 . . . . . 79 E H . 52588 1 171 . 1 . 1 79 79 GLU CA C 13 58.793 0.25 . 1 . . . . . 79 E CA . 52588 1 172 . 1 . 1 79 79 GLU CB C 13 28.330 0.25 . 1 . . . . . 79 E CB . 52588 1 173 . 1 . 1 79 79 GLU N N 15 118.687 0.25 . 1 . . . . . 79 E N . 52588 1 174 . 1 . 1 80 80 GLU H H 1 8.234 0.02 . 1 . . . . . 80 E H . 52588 1 175 . 1 . 1 80 80 GLU CA C 13 58.398 0.25 . 1 . . . . . 80 E CA . 52588 1 176 . 1 . 1 80 80 GLU CB C 13 29.107 0.25 . 1 . . . . . 80 E CB . 52588 1 177 . 1 . 1 80 80 GLU N N 15 119.593 0.25 . 1 . . . . . 80 E N . 52588 1 178 . 1 . 1 81 81 MET H H 1 8.601 0.02 . 1 . . . . . 81 M H . 52588 1 179 . 1 . 1 81 81 MET CA C 13 59.877 0.25 . 1 . . . . . 81 M CA . 52588 1 180 . 1 . 1 81 81 MET CB C 13 31.458 0.25 . 1 . . . . . 81 M CB . 52588 1 181 . 1 . 1 81 81 MET N N 15 116.809 0.25 . 1 . . . . . 81 M N . 52588 1 182 . 1 . 1 82 82 GLY H H 1 8.340 0.02 . 1 . . . . . 82 G H . 52588 1 183 . 1 . 1 82 82 GLY CA C 13 47.050 0.25 . 1 . . . . . 82 G CA . 52588 1 184 . 1 . 1 82 82 GLY N N 15 108.533 0.25 . 1 . . . . . 82 G N . 52588 1 185 . 1 . 1 83 83 GLU H H 1 7.955 0.02 . 1 . . . . . 83 E H . 52588 1 186 . 1 . 1 83 83 GLU CA C 13 58.623 0.25 . 1 . . . . . 83 E CA . 52588 1 187 . 1 . 1 83 83 GLU CB C 13 28.369 0.25 . 1 . . . . . 83 E CB . 52588 1 188 . 1 . 1 83 83 GLU N N 15 123.202 0.25 . 1 . . . . . 83 E N . 52588 1 189 . 1 . 1 84 84 ILE H H 1 7.059 0.02 . 1 . . . . . 84 I H . 52588 1 190 . 1 . 1 84 84 ILE CA C 13 64.421 0.25 . 1 . . . . . 84 I CA . 52588 1 191 . 1 . 1 84 84 ILE CB C 13 38.039 0.25 . 1 . . . . . 84 I CB . 52588 1 192 . 1 . 1 84 84 ILE N N 15 117.386 0.25 . 1 . . . . . 84 I N . 52588 1 193 . 1 . 1 86 86 ALA H H 1 8.393 0.02 . 1 . . . . . 86 A H . 52588 1 194 . 1 . 1 86 86 ALA CA C 13 54.145 0.25 . 1 . . . . . 86 A CA . 52588 1 195 . 1 . 1 86 86 ALA CB C 13 17.376 0.25 . 1 . . . . . 86 A CB . 52588 1 196 . 1 . 1 86 86 ALA N N 15 122.256 0.25 . 1 . . . . . 86 A N . 52588 1 197 . 1 . 1 87 87 LYS H H 1 6.854 0.02 . 1 . . . . . 87 K H . 52588 1 198 . 1 . 1 87 87 LYS CA C 13 57.474 0.25 . 1 . . . . . 87 K CA . 52588 1 199 . 1 . 1 87 87 LYS CB C 13 32.273 0.25 . 1 . . . . . 87 K CB . 52588 1 200 . 1 . 1 87 87 LYS N N 15 112.869 0.25 . 1 . . . . . 87 K N . 52588 1 201 . 1 . 1 88 88 VAL H H 1 7.278 0.02 . 1 . . . . . 88 V H . 52588 1 202 . 1 . 1 88 88 VAL CA C 13 58.954 0.25 . 1 . . . . . 88 V CA . 52588 1 203 . 1 . 1 88 88 VAL CB C 13 29.863 0.25 . 1 . . . . . 88 V CB . 52588 1 204 . 1 . 1 88 88 VAL N N 15 109.004 0.25 . 1 . . . . . 88 V N . 52588 1 205 . 1 . 1 89 89 ASP H H 1 6.763 0.02 . 1 . . . . . 89 D H . 52588 1 206 . 1 . 1 89 89 ASP CA C 13 52.553 0.25 . 1 . . . . . 89 D CA . 52588 1 207 . 1 . 1 89 89 ASP CB C 13 41.642 0.25 . 1 . . . . . 89 D CB . 52588 1 208 . 1 . 1 89 89 ASP N N 15 121.211 0.25 . 1 . . . . . 89 D N . 52588 1 209 . 1 . 1 90 90 GLU H H 1 8.564 0.02 . 1 . . . . . 90 E H . 52588 1 210 . 1 . 1 90 90 GLU CA C 13 54.453 0.25 . 1 . . . . . 90 E CA . 52588 1 211 . 1 . 1 90 90 GLU CB C 13 29.828 0.25 . 1 . . . . . 90 E CB . 52588 1 212 . 1 . 1 90 90 GLU N N 15 126.047 0.25 . 1 . . . . . 90 E N . 52588 1 213 . 1 . 1 91 91 PRO CA C 13 62.066 0.25 . 1 . . . . . 91 P CA . 52588 1 214 . 1 . 1 91 91 PRO CB C 13 31.383 0.25 . 1 . . . . . 91 P CB . 52588 1 215 . 1 . 1 92 92 LEU H H 1 8.412 0.02 . 1 . . . . . 92 L H . 52588 1 216 . 1 . 1 92 92 LEU CA C 13 54.546 0.25 . 1 . . . . . 92 L CA . 52588 1 217 . 1 . 1 92 92 LEU CB C 13 41.212 0.25 . 1 . . . . . 92 L CB . 52588 1 218 . 1 . 1 92 92 LEU N N 15 122.811 0.25 . 1 . . . . . 92 L N . 52588 1 219 . 1 . 1 93 93 ASN H H 1 8.484 0.02 . 1 . . . . . 93 N H . 52588 1 220 . 1 . 1 93 93 ASN CA C 13 51.136 0.25 . 1 . . . . . 93 N CA . 52588 1 221 . 1 . 1 93 93 ASN CB C 13 38.798 0.25 . 1 . . . . . 93 N CB . 52588 1 222 . 1 . 1 93 93 ASN N N 15 127.808 0.25 . 1 . . . . . 93 N N . 52588 1 223 . 1 . 1 94 94 VAL H H 1 8.023 0.02 . 1 . . . . . 94 V H . 52588 1 224 . 1 . 1 94 94 VAL CA C 13 59.286 0.25 . 1 . . . . . 94 V CA . 52588 1 225 . 1 . 1 94 94 VAL CB C 13 29.468 0.25 . 1 . . . . . 94 V CB . 52588 1 226 . 1 . 1 94 94 VAL N N 15 117.548 0.25 . 1 . . . . . 94 V N . 52588 1 227 . 1 . 1 95 95 GLU H H 1 7.371 0.02 . 1 . . . . . 95 E H . 52588 1 228 . 1 . 1 95 95 GLU CA C 13 56.188 0.25 . 1 . . . . . 95 E CA . 52588 1 229 . 1 . 1 95 95 GLU CB C 13 29.251 0.25 . 1 . . . . . 95 E CB . 52588 1 230 . 1 . 1 95 95 GLU N N 15 119.680 0.25 . 1 . . . . . 95 E N . 52588 1 231 . 1 . 1 96 96 GLY H H 1 8.531 0.02 . 1 . . . . . 96 G H . 52588 1 232 . 1 . 1 96 96 GLY CA C 13 45.399 0.25 . 1 . . . . . 96 G CA . 52588 1 233 . 1 . 1 96 96 GLY N N 15 108.218 0.25 . 1 . . . . . 96 G N . 52588 1 234 . 1 . 1 97 97 LYS H H 1 7.404 0.02 . 1 . . . . . 97 K H . 52588 1 235 . 1 . 1 97 97 LYS CA C 13 53.160 0.25 . 1 . . . . . 97 K CA . 52588 1 236 . 1 . 1 97 97 LYS CB C 13 32.474 0.25 . 1 . . . . . 97 K CB . 52588 1 237 . 1 . 1 97 97 LYS N N 15 118.526 0.25 . 1 . . . . . 97 K N . 52588 1 238 . 1 . 1 98 98 ALA H H 1 8.098 0.02 . 1 . . . . . 98 A H . 52588 1 239 . 1 . 1 98 98 ALA CA C 13 49.445 0.25 . 1 . . . . . 98 A CA . 52588 1 240 . 1 . 1 98 98 ALA CB C 13 19.099 0.25 . 1 . . . . . 98 A CB . 52588 1 241 . 1 . 1 98 98 ALA N N 15 122.333 0.25 . 1 . . . . . 98 A N . 52588 1 242 . 1 . 1 123 123 PHE H H 1 8.232 0.02 . 1 . . . . . 123 F H . 52588 1 243 . 1 . 1 123 123 PHE CA C 13 59.542 0.25 . 1 . . . . . 123 F CA . 52588 1 244 . 1 . 1 123 123 PHE CB C 13 36.059 0.25 . 1 . . . . . 123 F CB . 52588 1 245 . 1 . 1 123 123 PHE N N 15 122.633 0.25 . 1 . . . . . 123 F N . 52588 1 246 . 1 . 1 124 124 GLU H H 1 8.225 0.02 . 1 . . . . . 124 E H . 52588 1 247 . 1 . 1 124 124 GLU CA C 13 59.340 0.25 . 1 . . . . . 124 E CA . 52588 1 248 . 1 . 1 124 124 GLU CB C 13 28.314 0.25 . 1 . . . . . 124 E CB . 52588 1 249 . 1 . 1 124 124 GLU N N 15 122.561 0.25 . 1 . . . . . 124 E N . 52588 1 250 . 1 . 1 125 125 GLN H H 1 8.280 0.02 . 1 . . . . . 125 Q H . 52588 1 251 . 1 . 1 125 125 GLN CA C 13 57.874 0.25 . 1 . . . . . 125 Q CA . 52588 1 252 . 1 . 1 125 125 GLN CB C 13 27.381 0.25 . 1 . . . . . 125 Q CB . 52588 1 253 . 1 . 1 125 125 GLN N N 15 120.910 0.25 . 1 . . . . . 125 Q N . 52588 1 254 . 1 . 1 126 126 GLN H H 1 7.471 0.02 . 1 . . . . . 126 Q H . 52588 1 255 . 1 . 1 126 126 GLN CA C 13 55.232 0.25 . 1 . . . . . 126 Q CA . 52588 1 256 . 1 . 1 126 126 GLN CB C 13 27.811 0.25 . 1 . . . . . 126 Q CB . 52588 1 257 . 1 . 1 126 126 GLN N N 15 117.336 0.25 . 1 . . . . . 126 Q N . 52588 1 258 . 1 . 1 127 127 GLY H H 1 7.957 0.02 . 1 . . . . . 127 G H . 52588 1 259 . 1 . 1 127 127 GLY CA C 13 44.846 0.25 . 1 . . . . . 127 G CA . 52588 1 260 . 1 . 1 127 127 GLY N N 15 108.062 0.25 . 1 . . . . . 127 G N . 52588 1 261 . 1 . 1 128 128 LYS H H 1 7.834 0.02 . 1 . . . . . 128 K H . 52588 1 262 . 1 . 1 128 128 LYS CA C 13 53.163 0.25 . 1 . . . . . 128 K CA . 52588 1 263 . 1 . 1 128 128 LYS CB C 13 31.952 0.25 . 1 . . . . . 128 K CB . 52588 1 264 . 1 . 1 128 128 LYS N N 15 120.055 0.25 . 1 . . . . . 128 K N . 52588 1 265 . 1 . 1 129 129 SER H H 1 9.674 0.02 . 1 . . . . . 129 S H . 52588 1 266 . 1 . 1 129 129 SER CA C 13 56.487 0.25 . 1 . . . . . 129 S CA . 52588 1 267 . 1 . 1 129 129 SER CB C 13 64.471 0.25 . 1 . . . . . 129 S CB . 52588 1 268 . 1 . 1 129 129 SER N N 15 118.558 0.25 . 1 . . . . . 129 S N . 52588 1 269 . 1 . 1 130 130 VAL H H 1 8.255 0.02 . 1 . . . . . 130 V H . 52588 1 270 . 1 . 1 130 130 VAL CA C 13 59.541 0.25 . 1 . . . . . 130 V CA . 52588 1 271 . 1 . 1 130 130 VAL CB C 13 34.400 0.25 . 1 . . . . . 130 V CB . 52588 1 272 . 1 . 1 130 130 VAL N N 15 122.965 0.25 . 1 . . . . . 130 V N . 52588 1 273 . 1 . 1 141 141 ALA CA C 13 54.314 0.25 . 1 . . . . . 141 A CA . 52588 1 274 . 1 . 1 141 141 ALA CB C 13 17.296 0.25 . 1 . . . . . 141 A CB . 52588 1 275 . 1 . 1 142 142 ALA H H 1 7.117 0.02 . 1 . . . . . 142 A H . 52588 1 276 . 1 . 1 142 142 ALA CA C 13 54.130 0.25 . 1 . . . . . 142 A CA . 52588 1 277 . 1 . 1 142 142 ALA CB C 13 17.884 0.25 . 1 . . . . . 142 A CB . 52588 1 278 . 1 . 1 142 142 ALA N N 15 121.075 0.25 . 1 . . . . . 142 A N . 52588 1 279 . 1 . 1 143 143 VAL H H 1 7.551 0.02 . 1 . . . . . 143 V H . 52588 1 280 . 1 . 1 143 143 VAL CA C 13 66.319 0.25 . 1 . . . . . 143 V CA . 52588 1 281 . 1 . 1 143 143 VAL CB C 13 30.865 0.25 . 1 . . . . . 143 V CB . 52588 1 282 . 1 . 1 143 143 VAL N N 15 120.090 0.25 . 1 . . . . . 143 V N . 52588 1 283 . 1 . 1 144 144 GLU H H 1 8.216 0.02 . 1 . . . . . 144 E H . 52588 1 284 . 1 . 1 144 144 GLU CA C 13 58.649 0.25 . 1 . . . . . 144 E CA . 52588 1 285 . 1 . 1 144 144 GLU CB C 13 28.585 0.25 . 1 . . . . . 144 E CB . 52588 1 286 . 1 . 1 144 144 GLU N N 15 118.914 0.25 . 1 . . . . . 144 E N . 52588 1 287 . 1 . 1 145 145 GLN H H 1 7.836 0.02 . 1 . . . . . 145 Q H . 52588 1 288 . 1 . 1 145 145 GLN CA C 13 58.429 0.25 . 1 . . . . . 145 Q CA . 52588 1 289 . 1 . 1 145 145 GLN CB C 13 27.091 0.25 . 1 . . . . . 145 Q CB . 52588 1 290 . 1 . 1 145 145 GLN N N 15 117.470 0.25 . 1 . . . . . 145 Q N . 52588 1 291 . 1 . 1 147 147 GLN CA C 13 59.295 0.25 . 1 . . . . . 147 Q CA . 52588 1 292 . 1 . 1 147 147 GLN CB C 13 29.036 0.25 . 1 . . . . . 147 Q CB . 52588 1 293 . 1 . 1 148 148 VAL CA C 13 65.925 0.25 . 1 . . . . . 148 V CA . 52588 1 294 . 1 . 1 148 148 VAL CB C 13 30.549 0.25 . 1 . . . . . 148 V CB . 52588 1 295 . 1 . 1 149 149 TRP H H 1 8.182 0.02 . 1 . . . . . 149 W H . 52588 1 296 . 1 . 1 149 149 TRP CA C 13 62.004 0.25 . 1 . . . . . 149 W CA . 52588 1 297 . 1 . 1 149 149 TRP N N 15 122.135 0.25 . 1 . . . . . 149 W N . 52588 1 298 . 1 . 1 150 150 GLY H H 1 9.052 0.02 . 1 . . . . . 150 G H . 52588 1 299 . 1 . 1 150 150 GLY CA C 13 47.493 0.25 . 1 . . . . . 150 G CA . 52588 1 300 . 1 . 1 150 150 GLY N N 15 108.538 0.25 . 1 . . . . . 150 G N . 52588 1 301 . 1 . 1 151 151 GLN H H 1 8.073 0.02 . 1 . . . . . 151 Q H . 52588 1 302 . 1 . 1 151 151 GLN CA C 13 58.399 0.25 . 1 . . . . . 151 Q CA . 52588 1 303 . 1 . 1 151 151 GLN CB C 13 27.200 0.25 . 1 . . . . . 151 Q CB . 52588 1 304 . 1 . 1 151 151 GLN N N 15 122.152 0.25 . 1 . . . . . 151 Q N . 52588 1 305 . 1 . 1 152 152 ARG H H 1 7.994 0.02 . 1 . . . . . 152 R H . 52588 1 306 . 1 . 1 152 152 ARG CA C 13 57.731 0.25 . 1 . . . . . 152 R CA . 52588 1 307 . 1 . 1 152 152 ARG CB C 13 29.108 0.25 . 1 . . . . . 152 R CB . 52588 1 308 . 1 . 1 152 152 ARG N N 15 118.346 0.25 . 1 . . . . . 152 R N . 52588 1 309 . 1 . 1 153 153 ASN H H 1 7.273 0.02 . 1 . . . . . 153 N H . 52588 1 310 . 1 . 1 153 153 ASN CA C 13 52.859 0.25 . 1 . . . . . 153 N CA . 52588 1 311 . 1 . 1 153 153 ASN CB C 13 38.508 0.25 . 1 . . . . . 153 N CB . 52588 1 312 . 1 . 1 153 153 ASN N N 15 114.237 0.25 . 1 . . . . . 153 N N . 52588 1 313 . 1 . 1 154 154 ASN H H 1 7.502 0.02 . 1 . . . . . 154 N H . 52588 1 314 . 1 . 1 154 154 ASN CA C 13 53.811 0.25 . 1 . . . . . 154 N CA . 52588 1 315 . 1 . 1 154 154 ASN CB C 13 36.506 0.25 . 1 . . . . . 154 N CB . 52588 1 316 . 1 . 1 154 154 ASN N N 15 117.928 0.25 . 1 . . . . . 154 N N . 52588 1 317 . 1 . 1 155 155 ILE H H 1 8.479 0.02 . 1 . . . . . 155 I H . 52588 1 318 . 1 . 1 155 155 ILE CA C 13 57.042 0.25 . 1 . . . . . 155 I CA . 52588 1 319 . 1 . 1 155 155 ILE CB C 13 41.024 0.25 . 1 . . . . . 155 I CB . 52588 1 320 . 1 . 1 155 155 ILE N N 15 121.009 0.25 . 1 . . . . . 155 I N . 52588 1 321 . 1 . 1 156 156 PRO CA C 13 62.347 0.25 . 1 . . . . . 156 P CA . 52588 1 322 . 1 . 1 156 156 PRO CB C 13 31.736 0.25 . 1 . . . . . 156 P CB . 52588 1 323 . 1 . 1 157 157 VAL H H 1 7.950 0.02 . 1 . . . . . 157 V H . 52588 1 324 . 1 . 1 157 157 VAL CA C 13 60.145 0.25 . 1 . . . . . 157 V CA . 52588 1 325 . 1 . 1 157 157 VAL CB C 13 33.525 0.25 . 1 . . . . . 157 V CB . 52588 1 326 . 1 . 1 157 157 VAL N N 15 121.432 0.25 . 1 . . . . . 157 V N . 52588 1 327 . 1 . 1 158 158 ILE H H 1 8.876 0.02 . 1 . . . . . 158 I H . 52588 1 328 . 1 . 1 158 158 ILE CA C 13 57.797 0.25 . 1 . . . . . 158 I CA . 52588 1 329 . 1 . 1 158 158 ILE CB C 13 35.097 0.25 . 1 . . . . . 158 I CB . 52588 1 330 . 1 . 1 158 158 ILE N N 15 130.500 0.25 . 1 . . . . . 158 I N . 52588 1 331 . 1 . 1 159 159 ALA H H 1 8.137 0.02 . 1 . . . . . 159 A H . 52588 1 332 . 1 . 1 159 159 ALA CA C 13 50.192 0.25 . 1 . . . . . 159 A CA . 52588 1 333 . 1 . 1 159 159 ALA CB C 13 22.344 0.25 . 1 . . . . . 159 A CB . 52588 1 334 . 1 . 1 159 159 ALA N N 15 129.338 0.25 . 1 . . . . . 159 A N . 52588 1 335 . 1 . 1 160 160 GLN H H 1 8.811 0.02 . 1 . . . . . 160 Q H . 52588 1 336 . 1 . 1 160 160 GLN CA C 13 53.690 0.25 . 1 . . . . . 160 Q CA . 52588 1 337 . 1 . 1 160 160 GLN CB C 13 30.538 0.25 . 1 . . . . . 160 Q CB . 52588 1 338 . 1 . 1 160 160 GLN N N 15 120.535 0.25 . 1 . . . . . 160 Q N . 52588 1 339 . 1 . 1 162 162 THR CA C 13 63.699 0.25 . 1 . . . . . 162 T CA . 52588 1 340 . 1 . 1 162 162 THR CB C 13 67.712 0.25 . 1 . . . . . 162 T CB . 52588 1 341 . 1 . 1 163 163 GLY H H 1 8.026 0.02 . 1 . . . . . 163 G H . 52588 1 342 . 1 . 1 163 163 GLY CA C 13 43.620 0.25 . 1 . . . . . 163 G CA . 52588 1 343 . 1 . 1 163 163 GLY N N 15 114.794 0.25 . 1 . . . . . 163 G N . 52588 1 344 . 1 . 1 164 164 ALA H H 1 7.102 0.02 . 1 . . . . . 164 A H . 52588 1 345 . 1 . 1 164 164 ALA CA C 13 51.193 0.25 . 1 . . . . . 164 A CA . 52588 1 346 . 1 . 1 164 164 ALA CB C 13 18.701 0.25 . 1 . . . . . 164 A CB . 52588 1 347 . 1 . 1 164 164 ALA N N 15 122.041 0.25 . 1 . . . . . 164 A N . 52588 1 348 . 1 . 1 165 165 ASP H H 1 8.429 0.02 . 1 . . . . . 165 D H . 52588 1 349 . 1 . 1 165 165 ASP CA C 13 53.605 0.25 . 1 . . . . . 165 D CA . 52588 1 350 . 1 . 1 165 165 ASP CB C 13 41.208 0.25 . 1 . . . . . 165 D CB . 52588 1 351 . 1 . 1 165 165 ASP N N 15 120.901 0.25 . 1 . . . . . 165 D N . 52588 1 352 . 1 . 1 166 166 SER H H 1 9.138 0.02 . 1 . . . . . 166 S H . 52588 1 353 . 1 . 1 166 166 SER CA C 13 61.403 0.25 . 1 . . . . . 166 S CA . 52588 1 354 . 1 . 1 166 166 SER CB C 13 62.888 0.25 . 1 . . . . . 166 S CB . 52588 1 355 . 1 . 1 166 166 SER N N 15 125.678 0.25 . 1 . . . . . 166 S N . 52588 1 356 . 1 . 1 167 167 ALA H H 1 8.199 0.02 . 1 . . . . . 167 A H . 52588 1 357 . 1 . 1 167 167 ALA CA C 13 54.761 0.25 . 1 . . . . . 167 A CA . 52588 1 358 . 1 . 1 167 167 ALA CB C 13 16.936 0.25 . 1 . . . . . 167 A CB . 52588 1 359 . 1 . 1 167 167 ALA N N 15 121.295 0.25 . 1 . . . . . 167 A N . 52588 1 360 . 1 . 1 168 168 SER H H 1 7.538 0.02 . 1 . . . . . 168 S H . 52588 1 361 . 1 . 1 168 168 SER CA C 13 60.888 0.25 . 1 . . . . . 168 S CA . 52588 1 362 . 1 . 1 168 168 SER CB C 13 62.456 0.25 . 1 . . . . . 168 S CB . 52588 1 363 . 1 . 1 168 168 SER N N 15 114.412 0.25 . 1 . . . . . 168 S N . 52588 1 364 . 1 . 1 169 169 VAL H H 1 7.567 0.02 . 1 . . . . . 169 V H . 52588 1 365 . 1 . 1 169 169 VAL CA C 13 66.081 0.25 . 1 . . . . . 169 V CA . 52588 1 366 . 1 . 1 169 169 VAL CB C 13 30.643 0.25 . 1 . . . . . 169 V CB . 52588 1 367 . 1 . 1 169 169 VAL N N 15 121.676 0.25 . 1 . . . . . 169 V N . 52588 1 368 . 1 . 1 170 170 ILE H H 1 7.816 0.02 . 1 . . . . . 170 I H . 52588 1 369 . 1 . 1 170 170 ILE CA C 13 64.829 0.25 . 1 . . . . . 170 I CA . 52588 1 370 . 1 . 1 170 170 ILE CB C 13 36.109 0.25 . 1 . . . . . 170 I CB . 52588 1 371 . 1 . 1 170 170 ILE N N 15 118.813 0.25 . 1 . . . . . 170 I N . 52588 1 372 . 1 . 1 171 171 PHE H H 1 8.245 0.02 . 1 . . . . . 171 F H . 52588 1 373 . 1 . 1 171 171 PHE CA C 13 61.597 0.25 . 1 . . . . . 171 F CA . 52588 1 374 . 1 . 1 171 171 PHE CB C 13 38.556 0.25 . 1 . . . . . 171 F CB . 52588 1 375 . 1 . 1 171 171 PHE N N 15 122.597 0.25 . 1 . . . . . 171 F N . 52588 1 376 . 1 . 1 172 172 ASP H H 1 8.342 0.02 . 1 . . . . . 172 D H . 52588 1 377 . 1 . 1 172 172 ASP CA C 13 56.642 0.25 . 1 . . . . . 172 D CA . 52588 1 378 . 1 . 1 172 172 ASP CB C 13 38.862 0.25 . 1 . . . . . 172 D CB . 52588 1 379 . 1 . 1 172 172 ASP N N 15 119.653 0.25 . 1 . . . . . 172 D N . 52588 1 380 . 1 . 1 173 173 ALA H H 1 8.359 0.02 . 1 . . . . . 173 A H . 52588 1 381 . 1 . 1 173 173 ALA CA C 13 54.438 0.25 . 1 . . . . . 173 A CA . 52588 1 382 . 1 . 1 173 173 ALA CB C 13 18.808 0.25 . 1 . . . . . 173 A CB . 52588 1 383 . 1 . 1 173 173 ALA N N 15 122.964 0.25 . 1 . . . . . 173 A N . 52588 1 384 . 1 . 1 174 174 ILE H H 1 8.275 0.02 . 1 . . . . . 174 I H . 52588 1 385 . 1 . 1 174 174 ILE CA C 13 65.459 0.25 . 1 . . . . . 174 I CA . 52588 1 386 . 1 . 1 174 174 ILE CB C 13 35.700 0.25 . 1 . . . . . 174 I CB . 52588 1 387 . 1 . 1 174 174 ILE N N 15 119.284 0.25 . 1 . . . . . 174 I N . 52588 1 388 . 1 . 1 175 175 GLN H H 1 7.743 0.02 . 1 . . . . . 175 Q H . 52588 1 389 . 1 . 1 175 175 GLN CA C 13 59.124 0.25 . 1 . . . . . 175 Q CA . 52588 1 390 . 1 . 1 175 175 GLN CB C 13 27.869 0.25 . 1 . . . . . 175 Q CB . 52588 1 391 . 1 . 1 175 175 GLN N N 15 118.342 0.25 . 1 . . . . . 175 Q N . 52588 1 392 . 1 . 1 176 176 ALA H H 1 8.169 0.02 . 1 . . . . . 176 A H . 52588 1 393 . 1 . 1 176 176 ALA CA C 13 54.130 0.25 . 1 . . . . . 176 A CA . 52588 1 394 . 1 . 1 176 176 ALA CB C 13 16.678 0.25 . 1 . . . . . 176 A CB . 52588 1 395 . 1 . 1 176 176 ALA N N 15 123.531 0.25 . 1 . . . . . 176 A N . 52588 1 396 . 1 . 1 177 177 ALA H H 1 8.687 0.02 . 1 . . . . . 177 A H . 52588 1 397 . 1 . 1 177 177 ALA CA C 13 54.062 0.25 . 1 . . . . . 177 A CA . 52588 1 398 . 1 . 1 177 177 ALA CB C 13 17.376 0.25 . 1 . . . . . 177 A CB . 52588 1 399 . 1 . 1 177 177 ALA N N 15 121.335 0.25 . 1 . . . . . 177 A N . 52588 1 400 . 1 . 1 178 178 LYS H H 1 8.234 0.02 . 1 . . . . . 178 K H . 52588 1 401 . 1 . 1 178 178 LYS CA C 13 58.953 0.25 . 1 . . . . . 178 K CA . 52588 1 402 . 1 . 1 178 178 LYS CB C 13 31.097 0.25 . 1 . . . . . 178 K CB . 52588 1 403 . 1 . 1 178 178 LYS N N 15 118.397 0.25 . 1 . . . . . 178 K N . 52588 1 404 . 1 . 1 179 179 ALA H H 1 7.651 0.02 . 1 . . . . . 179 A H . 52588 1 405 . 1 . 1 179 179 ALA CA C 13 53.934 0.25 . 1 . . . . . 179 A CA . 52588 1 406 . 1 . 1 179 179 ALA CB C 13 17.482 0.25 . 1 . . . . . 179 A CB . 52588 1 407 . 1 . 1 179 179 ALA N N 15 121.407 0.25 . 1 . . . . . 179 A N . 52588 1 408 . 1 . 1 180 180 ARG H H 1 7.478 0.02 . 1 . . . . . 180 R H . 52588 1 409 . 1 . 1 180 180 ARG CA C 13 54.697 0.25 . 1 . . . . . 180 R CA . 52588 1 410 . 1 . 1 180 180 ARG CB C 13 29.644 0.25 . 1 . . . . . 180 R CB . 52588 1 411 . 1 . 1 180 180 ARG N N 15 114.603 0.25 . 1 . . . . . 180 R N . 52588 1 412 . 1 . 1 181 181 ASN H H 1 7.565 0.02 . 1 . . . . . 181 N H . 52588 1 413 . 1 . 1 181 181 ASN CA C 13 53.916 0.25 . 1 . . . . . 181 N CA . 52588 1 414 . 1 . 1 181 181 ASN CB C 13 36.183 0.25 . 1 . . . . . 181 N CB . 52588 1 415 . 1 . 1 181 181 ASN N N 15 116.686 0.25 . 1 . . . . . 181 N N . 52588 1 416 . 1 . 1 182 182 ILE H H 1 7.782 0.02 . 1 . . . . . 182 I H . 52588 1 417 . 1 . 1 182 182 ILE CA C 13 57.345 0.25 . 1 . . . . . 182 I CA . 52588 1 418 . 1 . 1 182 182 ILE CB C 13 35.955 0.25 . 1 . . . . . 182 I CB . 52588 1 419 . 1 . 1 182 182 ILE N N 15 119.440 0.25 . 1 . . . . . 182 I N . 52588 1 420 . 1 . 1 183 183 ASP H H 1 8.192 0.02 . 1 . . . . . 183 D H . 52588 1 421 . 1 . 1 183 183 ASP CA C 13 57.546 0.25 . 1 . . . . . 183 D CA . 52588 1 422 . 1 . 1 183 183 ASP CB C 13 42.272 0.25 . 1 . . . . . 183 D CB . 52588 1 423 . 1 . 1 183 183 ASP N N 15 124.840 0.25 . 1 . . . . . 183 D N . 52588 1 424 . 1 . 1 185 185 LEU CA C 13 56.857 0.25 . 1 . . . . . 185 L CA . 52588 1 425 . 1 . 1 185 185 LEU CB C 13 40.184 0.25 . 1 . . . . . 185 L CB . 52588 1 426 . 1 . 1 186 186 ILE CA C 13 63.607 0.25 . 1 . . . . . 186 I CA . 52588 1 427 . 1 . 1 186 186 ILE CB C 13 36.694 0.25 . 1 . . . . . 186 I CB . 52588 1 428 . 1 . 1 187 187 ALA CA C 13 51.320 0.25 . 1 . . . . . 187 A CA . 52588 1 429 . 1 . 1 187 187 ALA CB C 13 18.376 0.25 . 1 . . . . . 187 A CB . 52588 1 430 . 1 . 1 188 188 ASP CA C 13 55.994 0.25 . 1 . . . . . 188 D CA . 52588 1 431 . 1 . 1 189 189 THR H H 1 7.532 0.02 . 1 . . . . . 189 T H . 52588 1 432 . 1 . 1 189 189 THR CA C 13 58.860 0.25 . 1 . . . . . 189 T CA . 52588 1 433 . 1 . 1 189 189 THR CB C 13 73.690 0.25 . 1 . . . . . 189 T CB . 52588 1 434 . 1 . 1 189 189 THR N N 15 107.040 0.25 . 1 . . . . . 189 T N . 52588 1 435 . 1 . 1 190 190 ALA H H 1 8.942 0.02 . 1 . . . . . 190 A H . 52588 1 436 . 1 . 1 190 190 ALA CA C 13 51.725 0.25 . 1 . . . . . 190 A CA . 52588 1 437 . 1 . 1 190 190 ALA CB C 13 19.096 0.25 . 1 . . . . . 190 A CB . 52588 1 438 . 1 . 1 190 190 ALA N N 15 121.934 0.25 . 1 . . . . . 190 A N . 52588 1 439 . 1 . 1 191 191 GLY H H 1 8.101 0.02 . 1 . . . . . 191 G H . 52588 1 440 . 1 . 1 191 191 GLY CA C 13 44.972 0.25 . 1 . . . . . 191 G CA . 52588 1 441 . 1 . 1 191 191 GLY N N 15 106.212 0.25 . 1 . . . . . 191 G N . 52588 1 442 . 1 . 1 192 192 ARG H H 1 7.205 0.02 . 1 . . . . . 192 R H . 52588 1 443 . 1 . 1 192 192 ARG CA C 13 55.173 0.25 . 1 . . . . . 192 R CA . 52588 1 444 . 1 . 1 192 192 ARG CB C 13 29.251 0.25 . 1 . . . . . 192 R CB . 52588 1 445 . 1 . 1 192 192 ARG N N 15 120.603 0.25 . 1 . . . . . 192 R N . 52588 1 446 . 1 . 1 196 196 LYS CA C 13 55.470 0.25 . 1 . . . . . 196 K CA . 52588 1 447 . 1 . 1 197 197 SER H H 1 8.341 0.02 . 1 . . . . . 197 S H . 52588 1 448 . 1 . 1 197 197 SER CA C 13 61.221 0.25 . 1 . . . . . 197 S CA . 52588 1 449 . 1 . 1 197 197 SER N N 15 126.060 0.25 . 1 . . . . . 197 S N . 52588 1 450 . 1 . 1 198 198 HIS H H 1 7.675 0.02 . 1 . . . . . 198 H H . 52588 1 451 . 1 . 1 198 198 HIS CA C 13 58.246 0.25 . 1 . . . . . 198 H CA . 52588 1 452 . 1 . 1 198 198 HIS CB C 13 29.936 0.25 . 1 . . . . . 198 H CB . 52588 1 453 . 1 . 1 198 198 HIS N N 15 121.949 0.25 . 1 . . . . . 198 H N . 52588 1 454 . 1 . 1 199 199 LEU H H 1 7.693 0.02 . 1 . . . . . 199 L H . 52588 1 455 . 1 . 1 199 199 LEU CA C 13 57.350 0.25 . 1 . . . . . 199 L CA . 52588 1 456 . 1 . 1 199 199 LEU CB C 13 40.415 0.25 . 1 . . . . . 199 L CB . 52588 1 457 . 1 . 1 199 199 LEU N N 15 121.432 0.25 . 1 . . . . . 199 L N . 52588 1 458 . 1 . 1 200 200 MET H H 1 8.098 0.02 . 1 . . . . . 200 M H . 52588 1 459 . 1 . 1 200 200 MET CA C 13 58.145 0.25 . 1 . . . . . 200 M CA . 52588 1 460 . 1 . 1 200 200 MET CB C 13 31.134 0.25 . 1 . . . . . 200 M CB . 52588 1 461 . 1 . 1 200 200 MET N N 15 115.702 0.25 . 1 . . . . . 200 M N . 52588 1 462 . 1 . 1 201 201 GLU H H 1 7.788 0.02 . 1 . . . . . 201 E H . 52588 1 463 . 1 . 1 201 201 GLU CA C 13 58.449 0.25 . 1 . . . . . 201 E CA . 52588 1 464 . 1 . 1 201 201 GLU CB C 13 28.204 0.25 . 1 . . . . . 201 E CB . 52588 1 465 . 1 . 1 201 201 GLU N N 15 117.636 0.25 . 1 . . . . . 201 E N . 52588 1 466 . 1 . 1 202 202 GLU H H 1 8.049 0.02 . 1 . . . . . 202 E H . 52588 1 467 . 1 . 1 202 202 GLU CA C 13 59.152 0.25 . 1 . . . . . 202 E CA . 52588 1 468 . 1 . 1 202 202 GLU CB C 13 28.087 0.25 . 1 . . . . . 202 E CB . 52588 1 469 . 1 . 1 202 202 GLU N N 15 122.805 0.25 . 1 . . . . . 202 E N . 52588 1 470 . 1 . 1 203 203 LEU H H 1 8.201 0.02 . 1 . . . . . 203 L H . 52588 1 471 . 1 . 1 203 203 LEU CA C 13 57.504 0.25 . 1 . . . . . 203 L CA . 52588 1 472 . 1 . 1 203 203 LEU CB C 13 40.704 0.25 . 1 . . . . . 203 L CB . 52588 1 473 . 1 . 1 203 203 LEU N N 15 118.286 0.25 . 1 . . . . . 203 L N . 52588 1 474 . 1 . 1 205 205 LYS H H 1 7.400 0.02 . 1 . . . . . 205 K H . 52588 1 475 . 1 . 1 205 205 LYS CA C 13 59.323 0.25 . 1 . . . . . 205 K CA . 52588 1 476 . 1 . 1 205 205 LYS CB C 13 30.716 0.25 . 1 . . . . . 205 K CB . 52588 1 477 . 1 . 1 205 205 LYS N N 15 121.560 0.25 . 1 . . . . . 205 K N . 52588 1 478 . 1 . 1 206 206 ILE H H 1 7.899 0.02 . 1 . . . . . 206 I H . 52588 1 479 . 1 . 1 206 206 ILE CA C 13 65.517 0.25 . 1 . . . . . 206 I CA . 52588 1 480 . 1 . 1 206 206 ILE CB C 13 37.534 0.25 . 1 . . . . . 206 I CB . 52588 1 481 . 1 . 1 206 206 ILE N N 15 119.563 0.25 . 1 . . . . . 206 I N . 52588 1 482 . 1 . 1 207 207 VAL H H 1 7.783 0.02 . 1 . . . . . 207 V H . 52588 1 483 . 1 . 1 207 207 VAL CA C 13 67.116 0.25 . 1 . . . . . 207 V CA . 52588 1 484 . 1 . 1 207 207 VAL CB C 13 30.568 0.25 . 1 . . . . . 207 V CB . 52588 1 485 . 1 . 1 207 207 VAL N N 15 118.575 0.25 . 1 . . . . . 207 V N . 52588 1 486 . 1 . 1 208 208 ARG H H 1 7.891 0.02 . 1 . . . . . 208 R H . 52588 1 487 . 1 . 1 208 208 ARG CA C 13 59.213 0.25 . 1 . . . . . 208 R CA . 52588 1 488 . 1 . 1 208 208 ARG CB C 13 29.323 0.25 . 1 . . . . . 208 R CB . 52588 1 489 . 1 . 1 208 208 ARG N N 15 117.911 0.25 . 1 . . . . . 208 R N . 52588 1 490 . 1 . 1 209 209 VAL H H 1 8.113 0.02 . 1 . . . . . 209 V H . 52588 1 491 . 1 . 1 209 209 VAL CA C 13 65.660 0.25 . 1 . . . . . 209 V CA . 52588 1 492 . 1 . 1 209 209 VAL CB C 13 30.661 0.25 . 1 . . . . . 209 V CB . 52588 1 493 . 1 . 1 209 209 VAL N N 15 118.904 0.25 . 1 . . . . . 209 V N . 52588 1 494 . 1 . 1 210 210 MET H H 1 7.813 0.02 . 1 . . . . . 210 M H . 52588 1 495 . 1 . 1 210 210 MET CA C 13 59.652 0.25 . 1 . . . . . 210 M CA . 52588 1 496 . 1 . 1 210 210 MET CB C 13 31.241 0.25 . 1 . . . . . 210 M CB . 52588 1 497 . 1 . 1 210 210 MET N N 15 118.126 0.25 . 1 . . . . . 210 M N . 52588 1 498 . 1 . 1 211 211 LYS H H 1 7.640 0.02 . 1 . . . . . 211 K H . 52588 1 499 . 1 . 1 211 211 LYS CA C 13 57.245 0.25 . 1 . . . . . 211 K CA . 52588 1 500 . 1 . 1 211 211 LYS CB C 13 31.319 0.25 . 1 . . . . . 211 K CB . 52588 1 501 . 1 . 1 211 211 LYS N N 15 117.236 0.25 . 1 . . . . . 211 K N . 52588 1 502 . 1 . 1 212 212 LYS H H 1 7.284 0.02 . 1 . . . . . 212 K H . 52588 1 503 . 1 . 1 212 212 LYS CA C 13 57.773 0.25 . 1 . . . . . 212 K CA . 52588 1 504 . 1 . 1 212 212 LYS CB C 13 31.448 0.25 . 1 . . . . . 212 K CB . 52588 1 505 . 1 . 1 212 212 LYS N N 15 117.261 0.25 . 1 . . . . . 212 K N . 52588 1 506 . 1 . 1 213 213 LEU H H 1 7.353 0.02 . 1 . . . . . 213 L H . 52588 1 507 . 1 . 1 213 213 LEU CA C 13 54.716 0.25 . 1 . . . . . 213 L CA . 52588 1 508 . 1 . 1 213 213 LEU CB C 13 42.489 0.25 . 1 . . . . . 213 L CB . 52588 1 509 . 1 . 1 213 213 LEU N N 15 117.796 0.25 . 1 . . . . . 213 L N . 52588 1 510 . 1 . 1 214 214 ASP H H 1 7.707 0.02 . 1 . . . . . 214 D H . 52588 1 511 . 1 . 1 214 214 ASP CA C 13 53.115 0.25 . 1 . . . . . 214 D CA . 52588 1 512 . 1 . 1 214 214 ASP CB C 13 41.236 0.25 . 1 . . . . . 214 D CB . 52588 1 513 . 1 . 1 214 214 ASP N N 15 118.918 0.25 . 1 . . . . . 214 D N . 52588 1 514 . 1 . 1 215 215 VAL H H 1 8.418 0.02 . 1 . . . . . 215 V H . 52588 1 515 . 1 . 1 215 215 VAL CA C 13 64.053 0.25 . 1 . . . . . 215 V CA . 52588 1 516 . 1 . 1 215 215 VAL CB C 13 30.531 0.25 . 1 . . . . . 215 V CB . 52588 1 517 . 1 . 1 215 215 VAL N N 15 123.332 0.25 . 1 . . . . . 215 V N . 52588 1 518 . 1 . 1 216 216 GLU H H 1 8.264 0.02 . 1 . . . . . 216 E H . 52588 1 519 . 1 . 1 216 216 GLU CA C 13 55.554 0.25 . 1 . . . . . 216 E CA . 52588 1 520 . 1 . 1 216 216 GLU CB C 13 29.572 0.25 . 1 . . . . . 216 E CB . 52588 1 521 . 1 . 1 216 216 GLU N N 15 119.014 0.25 . 1 . . . . . 216 E N . 52588 1 522 . 1 . 1 217 217 ALA H H 1 7.314 0.02 . 1 . . . . . 217 A H . 52588 1 523 . 1 . 1 217 217 ALA CA C 13 48.914 0.25 . 1 . . . . . 217 A CA . 52588 1 524 . 1 . 1 217 217 ALA CB C 13 16.791 0.25 . 1 . . . . . 217 A CB . 52588 1 525 . 1 . 1 217 217 ALA N N 15 121.280 0.25 . 1 . . . . . 217 A N . 52588 1 526 . 1 . 1 228 228 SER CA C 13 59.754 0.25 . 1 . . . . . 228 S CA . 52588 1 527 . 1 . 1 229 229 THR H H 1 7.587 0.02 . 1 . . . . . 229 T H . 52588 1 528 . 1 . 1 229 229 THR CA C 13 61.608 0.25 . 1 . . . . . 229 T CA . 52588 1 529 . 1 . 1 229 229 THR CB C 13 68.938 0.25 . 1 . . . . . 229 T CB . 52588 1 530 . 1 . 1 229 229 THR N N 15 111.841 0.25 . 1 . . . . . 229 T N . 52588 1 531 . 1 . 1 230 230 GLY H H 1 7.948 0.02 . 1 . . . . . 230 G H . 52588 1 532 . 1 . 1 230 230 GLY CA C 13 46.805 0.25 . 1 . . . . . 230 G CA . 52588 1 533 . 1 . 1 230 230 GLY N N 15 112.147 0.25 . 1 . . . . . 230 G N . 52588 1 534 . 1 . 1 231 231 GLN H H 1 9.206 0.02 . 1 . . . . . 231 Q H . 52588 1 535 . 1 . 1 231 231 GLN CA C 13 57.427 0.25 . 1 . . . . . 231 Q CA . 52588 1 536 . 1 . 1 231 231 GLN CB C 13 25.003 0.25 . 1 . . . . . 231 Q CB . 52588 1 537 . 1 . 1 231 231 GLN N N 15 123.949 0.25 . 1 . . . . . 231 Q N . 52588 1 538 . 1 . 1 232 232 ASN H H 1 8.017 0.02 . 1 . . . . . 232 N H . 52588 1 539 . 1 . 1 232 232 ASN CA C 13 55.994 0.25 . 1 . . . . . 232 N CA . 52588 1 540 . 1 . 1 232 232 ASN CB C 13 37.031 0.25 . 1 . . . . . 232 N CB . 52588 1 541 . 1 . 1 232 232 ASN N N 15 118.855 0.25 . 1 . . . . . 232 N N . 52588 1 542 . 1 . 1 233 233 ALA H H 1 7.613 0.02 . 1 . . . . . 233 A H . 52588 1 543 . 1 . 1 233 233 ALA CA C 13 54.453 0.25 . 1 . . . . . 233 A CA . 52588 1 544 . 1 . 1 233 233 ALA CB C 13 17.439 0.25 . 1 . . . . . 233 A CB . 52588 1 545 . 1 . 1 233 233 ALA N N 15 122.686 0.25 . 1 . . . . . 233 A N . 52588 1 546 . 1 . 1 234 234 VAL H H 1 6.818 0.02 . 1 . . . . . 234 V H . 52588 1 547 . 1 . 1 234 234 VAL CA C 13 65.933 0.25 . 1 . . . . . 234 V CA . 52588 1 548 . 1 . 1 234 234 VAL CB C 13 30.477 0.25 . 1 . . . . . 234 V CB . 52588 1 549 . 1 . 1 234 234 VAL N N 15 116.711 0.25 . 1 . . . . . 234 V N . 52588 1 550 . 1 . 1 235 235 SER H H 1 7.857 0.02 . 1 . . . . . 235 S H . 52588 1 551 . 1 . 1 235 235 SER CA C 13 61.172 0.25 . 1 . . . . . 235 S CA . 52588 1 552 . 1 . 1 235 235 SER N N 15 114.994 0.25 . 1 . . . . . 235 S N . 52588 1 553 . 1 . 1 236 236 GLN H H 1 8.027 0.02 . 1 . . . . . 236 Q H . 52588 1 554 . 1 . 1 236 236 GLN CA C 13 58.628 0.25 . 1 . . . . . 236 Q CA . 52588 1 555 . 1 . 1 236 236 GLN CB C 13 26.659 0.25 . 1 . . . . . 236 Q CB . 52588 1 556 . 1 . 1 236 236 GLN N N 15 121.812 0.25 . 1 . . . . . 236 Q N . 52588 1 557 . 1 . 1 237 237 ALA H H 1 7.642 0.02 . 1 . . . . . 237 A H . 52588 1 558 . 1 . 1 237 237 ALA CA C 13 55.144 0.25 . 1 . . . . . 237 A CA . 52588 1 559 . 1 . 1 237 237 ALA CB C 13 16.000 0.25 . 1 . . . . . 237 A CB . 52588 1 560 . 1 . 1 237 237 ALA N N 15 118.088 0.25 . 1 . . . . . 237 A N . 52588 1 561 . 1 . 1 238 238 LYS H H 1 7.953 0.02 . 1 . . . . . 238 K H . 52588 1 562 . 1 . 1 238 238 LYS CA C 13 59.578 0.25 . 1 . . . . . 238 K CA . 52588 1 563 . 1 . 1 238 238 LYS CB C 13 32.091 0.25 . 1 . . . . . 238 K CB . 52588 1 564 . 1 . 1 238 238 LYS N N 15 117.009 0.25 . 1 . . . . . 238 K N . 52588 1 565 . 1 . 1 239 239 LEU H H 1 7.472 0.02 . 1 . . . . . 239 L H . 52588 1 566 . 1 . 1 239 239 LEU CA C 13 57.381 0.25 . 1 . . . . . 239 L CA . 52588 1 567 . 1 . 1 239 239 LEU CB C 13 40.847 0.25 . 1 . . . . . 239 L CB . 52588 1 568 . 1 . 1 239 239 LEU N N 15 118.756 0.25 . 1 . . . . . 239 L N . 52588 1 569 . 1 . 1 240 240 PHE H H 1 8.001 0.02 . 1 . . . . . 240 F H . 52588 1 570 . 1 . 1 240 240 PHE CA C 13 62.405 0.25 . 1 . . . . . 240 F CA . 52588 1 571 . 1 . 1 240 240 PHE CB C 13 39.228 0.25 . 1 . . . . . 240 F CB . 52588 1 572 . 1 . 1 240 240 PHE N N 15 115.063 0.25 . 1 . . . . . 240 F N . 52588 1 573 . 1 . 1 241 241 HIS H H 1 8.906 0.02 . 1 . . . . . 241 H H . 52588 1 574 . 1 . 1 241 241 HIS CA C 13 59.139 0.25 . 1 . . . . . 241 H CA . 52588 1 575 . 1 . 1 241 241 HIS CB C 13 30.814 0.25 . 1 . . . . . 241 H CB . 52588 1 576 . 1 . 1 241 241 HIS N N 15 120.816 0.25 . 1 . . . . . 241 H N . 52588 1 577 . 1 . 1 242 242 GLU H H 1 7.918 0.02 . 1 . . . . . 242 E H . 52588 1 578 . 1 . 1 242 242 GLU CA C 13 57.917 0.25 . 1 . . . . . 242 E CA . 52588 1 579 . 1 . 1 242 242 GLU CB C 13 28.266 0.25 . 1 . . . . . 242 E CB . 52588 1 580 . 1 . 1 242 242 GLU N N 15 116.520 0.25 . 1 . . . . . 242 E N . 52588 1 581 . 1 . 1 243 243 ALA H H 1 7.459 0.02 . 1 . . . . . 243 A H . 52588 1 582 . 1 . 1 243 243 ALA CA C 13 53.987 0.25 . 1 . . . . . 243 A CA . 52588 1 583 . 1 . 1 243 243 ALA CB C 13 19.674 0.25 . 1 . . . . . 243 A CB . 52588 1 584 . 1 . 1 243 243 ALA N N 15 119.142 0.25 . 1 . . . . . 243 A N . 52588 1 585 . 1 . 1 244 244 VAL H H 1 7.666 0.02 . 1 . . . . . 244 V H . 52588 1 586 . 1 . 1 244 244 VAL CA C 13 60.970 0.25 . 1 . . . . . 244 V CA . 52588 1 587 . 1 . 1 244 244 VAL CB C 13 34.222 0.25 . 1 . . . . . 244 V CB . 52588 1 588 . 1 . 1 244 244 VAL N N 15 110.230 0.25 . 1 . . . . . 244 V N . 52588 1 589 . 1 . 1 245 245 GLY H H 1 7.455 0.02 . 1 . . . . . 245 G H . 52588 1 590 . 1 . 1 245 245 GLY CA C 13 44.739 0.25 . 1 . . . . . 245 G CA . 52588 1 591 . 1 . 1 245 245 GLY N N 15 112.210 0.25 . 1 . . . . . 245 G N . 52588 1 592 . 1 . 1 246 246 LEU H H 1 10.640 0.02 . 1 . . . . . 246 L H . 52588 1 593 . 1 . 1 246 246 LEU CA C 13 54.523 0.25 . 1 . . . . . 246 L CA . 52588 1 594 . 1 . 1 246 246 LEU CB C 13 42.503 0.25 . 1 . . . . . 246 L CB . 52588 1 595 . 1 . 1 246 246 LEU N N 15 125.505 0.25 . 1 . . . . . 246 L N . 52588 1 596 . 1 . 1 247 247 THR H H 1 9.134 0.02 . 1 . . . . . 247 T H . 52588 1 597 . 1 . 1 247 247 THR CA C 13 61.608 0.25 . 1 . . . . . 247 T CA . 52588 1 598 . 1 . 1 247 247 THR CB C 13 69.373 0.25 . 1 . . . . . 247 T CB . 52588 1 599 . 1 . 1 247 247 THR N N 15 109.538 0.25 . 1 . . . . . 247 T N . 52588 1 600 . 1 . 1 248 248 GLY H H 1 7.556 0.02 . 1 . . . . . 248 G H . 52588 1 601 . 1 . 1 248 248 GLY CA C 13 45.084 0.25 . 1 . . . . . 248 G CA . 52588 1 602 . 1 . 1 248 248 GLY N N 15 108.313 0.25 . 1 . . . . . 248 G N . 52588 1 603 . 1 . 1 270 270 PHE H H 1 7.632 0.02 . 1 . . . . . 270 F H . 52588 1 604 . 1 . 1 270 270 PHE CA C 13 57.967 0.25 . 1 . . . . . 270 F CA . 52588 1 605 . 1 . 1 270 270 PHE CB C 13 38.859 0.25 . 1 . . . . . 270 F CB . 52588 1 606 . 1 . 1 270 270 PHE N N 15 126.796 0.25 . 1 . . . . . 270 F N . 52588 1 607 . 1 . 1 271 271 GLY H H 1 7.494 0.02 . 1 . . . . . 271 G H . 52588 1 608 . 1 . 1 271 271 GLY CA C 13 46.668 0.25 . 1 . . . . . 271 G CA . 52588 1 609 . 1 . 1 271 271 GLY N N 15 107.213 0.25 . 1 . . . . . 271 G N . 52588 1 610 . 1 . 1 272 272 ILE H H 1 7.900 0.02 . 1 . . . . . 272 I H . 52588 1 611 . 1 . 1 272 272 ILE CA C 13 56.300 0.25 . 1 . . . . . 272 I CA . 52588 1 612 . 1 . 1 272 272 ILE CB C 13 38.759 0.25 . 1 . . . . . 272 I CB . 52588 1 613 . 1 . 1 272 272 ILE N N 15 123.978 0.25 . 1 . . . . . 272 I N . 52588 1 614 . 1 . 1 274 274 ILE H H 1 8.568 0.02 . 1 . . . . . 274 I H . 52588 1 615 . 1 . 1 274 274 ILE CA C 13 56.424 0.25 . 1 . . . . . 274 I CA . 52588 1 616 . 1 . 1 274 274 ILE CB C 13 43.392 0.25 . 1 . . . . . 274 I CB . 52588 1 617 . 1 . 1 274 274 ILE N N 15 113.738 0.25 . 1 . . . . . 274 I N . 52588 1 618 . 1 . 1 275 275 ARG H H 1 8.129 0.02 . 1 . . . . . 275 R H . 52588 1 619 . 1 . 1 275 275 ARG CA C 13 57.952 0.25 . 1 . . . . . 275 R CA . 52588 1 620 . 1 . 1 275 275 ARG CB C 13 28.011 0.25 . 1 . . . . . 275 R CB . 52588 1 621 . 1 . 1 275 275 ARG N N 15 113.278 0.25 . 1 . . . . . 275 R N . 52588 1 622 . 1 . 1 276 276 TYR H H 1 6.982 0.02 . 1 . . . . . 276 Y H . 52588 1 623 . 1 . 1 276 276 TYR CA C 13 58.120 0.25 . 1 . . . . . 276 Y CA . 52588 1 624 . 1 . 1 276 276 TYR CB C 13 38.904 0.25 . 1 . . . . . 276 Y CB . 52588 1 625 . 1 . 1 276 276 TYR N N 15 111.393 0.25 . 1 . . . . . 276 Y N . 52588 1 626 . 1 . 1 277 277 ILE H H 1 8.113 0.02 . 1 . . . . . 277 I H . 52588 1 627 . 1 . 1 277 277 ILE CA C 13 56.950 0.25 . 1 . . . . . 277 I CA . 52588 1 628 . 1 . 1 277 277 ILE CB C 13 40.416 0.25 . 1 . . . . . 277 I CB . 52588 1 629 . 1 . 1 277 277 ILE N N 15 118.426 0.25 . 1 . . . . . 277 I N . 52588 1 630 . 1 . 1 289 289 PHE CA C 13 58.090 0.25 . 1 . . . . . 289 F CA . 52588 1 631 . 1 . 1 289 289 PHE CB C 13 37.775 0.25 . 1 . . . . . 289 F CB . 52588 1 632 . 1 . 1 290 290 LYS H H 1 7.491 0.02 . 1 . . . . . 290 K H . 52588 1 633 . 1 . 1 290 290 LYS CA C 13 53.036 0.25 . 1 . . . . . 290 K CA . 52588 1 634 . 1 . 1 290 290 LYS CB C 13 32.238 0.25 . 1 . . . . . 290 K CB . 52588 1 635 . 1 . 1 290 290 LYS N N 15 129.018 0.25 . 1 . . . . . 290 K N . 52588 1 636 . 1 . 1 291 291 ALA H H 1 9.091 0.02 . 1 . . . . . 291 A H . 52588 1 637 . 1 . 1 291 291 ALA CA C 13 55.127 0.25 . 1 . . . . . 291 A CA . 52588 1 638 . 1 . 1 291 291 ALA CB C 13 17.517 0.25 . 1 . . . . . 291 A CB . 52588 1 639 . 1 . 1 291 291 ALA N N 15 130.847 0.25 . 1 . . . . . 291 A N . 52588 1 640 . 1 . 1 292 292 ASP H H 1 8.667 0.02 . 1 . . . . . 292 D H . 52588 1 641 . 1 . 1 292 292 ASP CA C 13 56.385 0.25 . 1 . . . . . 292 D CA . 52588 1 642 . 1 . 1 292 292 ASP CB C 13 38.424 0.25 . 1 . . . . . 292 D CB . 52588 1 643 . 1 . 1 292 292 ASP N N 15 116.061 0.25 . 1 . . . . . 292 D N . 52588 1 644 . 1 . 1 293 293 ASP H H 1 7.029 0.02 . 1 . . . . . 293 D H . 52588 1 645 . 1 . 1 293 293 ASP CA C 13 56.353 0.25 . 1 . . . . . 293 D CA . 52588 1 646 . 1 . 1 293 293 ASP CB C 13 39.797 0.25 . 1 . . . . . 293 D CB . 52588 1 647 . 1 . 1 293 293 ASP N N 15 119.795 0.25 . 1 . . . . . 293 D N . 52588 1 648 . 1 . 1 295 295 ILE CA C 13 59.169 0.25 . 1 . . . . . 295 I CA . 52588 1 649 . 1 . 1 295 295 ILE CB C 13 38.111 0.25 . 1 . . . . . 295 I CB . 52588 1 650 . 1 . 1 296 296 GLU H H 1 7.318 0.02 . 1 . . . . . 296 E H . 52588 1 651 . 1 . 1 296 296 GLU CA C 13 54.823 0.25 . 1 . . . . . 296 E CA . 52588 1 652 . 1 . 1 296 296 GLU CB C 13 29.180 0.25 . 1 . . . . . 296 E CB . 52588 1 653 . 1 . 1 296 296 GLU N N 15 122.041 0.25 . 1 . . . . . 296 E N . 52588 1 654 . 1 . 1 297 297 ALA H H 1 8.232 0.02 . 1 . . . . . 297 A H . 52588 1 655 . 1 . 1 297 297 ALA CA C 13 54.933 0.25 . 1 . . . . . 297 A CA . 52588 1 656 . 1 . 1 297 297 ALA CB C 13 17.728 0.25 . 1 . . . . . 297 A CB . 52588 1 657 . 1 . 1 297 297 ALA N N 15 128.713 0.25 . 1 . . . . . 297 A N . 52588 1 658 . 1 . 1 298 298 LEU H H 1 7.694 0.02 . 1 . . . . . 298 L H . 52588 1 659 . 1 . 1 298 298 LEU CA C 13 57.134 0.25 . 1 . . . . . 298 L CA . 52588 1 660 . 1 . 1 298 298 LEU N N 15 114.794 0.25 . 1 . . . . . 298 L N . 52588 1 stop_ save_