data_25030 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25030 _Entry.Title ; Solution structure of Escherichia coli Outer membrane protein A C-terminal domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-06-19 _Entry.Accession_date 2014-06-19 _Entry.Last_release_date 2014-09-02 _Entry.Original_release_date 2014-09-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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.Entry_ID 1 Hiroaki Ishida . . . 25030 2 Hans Vogel . . . 25030 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25030 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Outer membrane protein A' . 25030 OmpA . 25030 'Escherichia coli' . 25030 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25030 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 127 25030 '15N chemical shifts' 127 25030 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-09-02 2014-06-19 original author . 25030 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MQE 'BMRB Entry Tracking System' 25030 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25030 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25135663 _Citation.Full_citation . _Citation.Title 'The periplasmic domain of Escherichia coli outer membrane protein A can undergo a localized temperature dependent structural transition' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2014 _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.Entry_ID _Citation_author.Citation_ID 1 Hiroaki Ishida . . . 25030 1 2 Alicia Garcia-Herrero . . . 25030 1 3 Hans Vogel . . . 25030 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25030 _Assembly.ID 1 _Assembly.Name 'OMPA C-terminal domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 . _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 'OMPA C-terminal domain' 1 $entity A . yes native no no . . . 25030 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25030 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; APAPAPAPEVQTKHFTLKSD VLFNFNKATLKPEGQAALDQ LYSQLSNLDPKDGSVVVLGY TDRIGSDAYNQGLSERRAQS VVDYLISKGIPADKISARGM GESNPVTGNTCDNVKQRAAL IDCLAPDRRVEIEVKGIKDV VTQPQA ; _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 146 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15712.804 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MQE . "Solution Structure Of Escherichia Coli Outer Membrane Protein A C- Terminal Domain" . . . . . 100.00 146 100.00 100.00 8.68e-101 . . . . 25030 1 2 no PDB 3NB3 . "The Host Outer Membrane Proteins Ompa And Ompc Are Packed At Specific Sites In The Shigella Phage Sf6 Virion As Structural Comp" . . . . . 100.00 346 100.00 100.00 9.23e-99 . . . . 25030 1 3 no DBJ BAA35715 . "outer membrane protein A (3a;II*;G;d) [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 346 100.00 100.00 1.01e-98 . . . . 25030 1 4 no DBJ BAB34464 . "outer membrane protein 3a [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 346 100.00 100.00 1.01e-98 . . . . 25030 1 5 no DBJ BAG76542 . "outer membrane protein OmpA [Escherichia coli SE11]" . . . . . 100.00 346 100.00 100.00 1.01e-98 . . . . 25030 1 6 no DBJ BAI24400 . "outer membrane protein A [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 346 100.00 100.00 1.01e-98 . . . . 25030 1 7 no DBJ BAI29850 . "outer membrane protein A [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 346 100.00 100.00 1.01e-98 . . . . 25030 1 8 no EMBL CAA23588 . "ompA protein [Escherichia coli]" . . . . . 100.00 346 100.00 100.00 1.01e-98 . . . . 25030 1 9 no EMBL CAA24638 . "unnamed protein product [Shigella dysenteriae]" . . . . . 100.00 351 100.00 100.00 8.68e-99 . . . . 25030 1 10 no EMBL CAP75420 . "Outer membrane protein A [Escherichia coli LF82]" . . . . . 100.00 346 98.63 98.63 6.18e-97 . . . . 25030 1 11 no EMBL CAQ31485 . "outer membrane protein 3a (II*;G;d) [Escherichia coli BL21(DE3)]" . . . . . 100.00 346 100.00 100.00 1.01e-98 . . . . 25030 1 12 no EMBL CAQ88623 . "outer membrane protein A (3a;II*;G;d) [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 375 100.00 100.00 1.19e-98 . . . . 25030 1 13 no GB AAA24232 . "outer membrane protein II, partial [Escherichia fergusonii]" . . . . . 93.84 243 100.00 100.00 5.88e-93 . . . . 25030 1 14 no GB AAA24236 . "outer membrane protein II, partial [Escherichia fergusonii]" . . . . . 93.84 243 100.00 100.00 4.53e-93 . . . . 25030 1 15 no GB AAA24240 . "outer membrane protein II, partial [Escherichia fergusonii]" . . . . . 93.84 243 100.00 100.00 4.53e-93 . . . . 25030 1 16 no GB AAC74043 . "outer membrane protein A (3a;II*;G;d) [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 346 100.00 100.00 1.01e-98 . . . . 25030 1 17 no GB AAF37887 . "outer membrane protein A [Escherichia coli RS218]" . . . . . 100.00 346 98.63 98.63 6.05e-97 . . . . 25030 1 18 no REF NP_309068 . "outer membrane protein A [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 346 100.00 100.00 1.01e-98 . . . . 25030 1 19 no REF NP_415477 . "outer membrane protein A (3a;II*;G;d) [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 346 100.00 100.00 1.01e-98 . . . . 25030 1 20 no REF NP_706879 . "outer membrane protein OmpA [Shigella flexneri 2a str. 301]" . . . . . 98.63 348 100.00 100.00 7.02e-97 . . . . 25030 1 21 no REF WP_000315441 . "membrane protein, partial [Shigella boydii]" . . . . . 100.00 348 99.32 100.00 4.85e-98 . . . . 25030 1 22 no REF WP_000315442 . "membrane protein, partial [Escherichia coli]" . . . . . 100.00 343 100.00 100.00 9.78e-99 . . . . 25030 1 23 no SP B7LNW7 . "RecName: Full=Outer membrane protein A; AltName: Full=Outer membrane protein II; Flags: Precursor" . . . . . 100.00 351 100.00 100.00 9.36e-99 . . . . 25030 1 24 no SP P02935 . "RecName: Full=Outer membrane protein A; AltName: Full=Outer membrane protein II; Flags: Precursor" . . . . . 100.00 351 100.00 100.00 8.68e-99 . . . . 25030 1 25 no SP P0A910 . "RecName: Full=Outer membrane protein A; AltName: Full=Outer membrane protein II*; Flags: Precursor" . . . . . 100.00 346 100.00 100.00 1.01e-98 . . . . 25030 1 26 no SP P0A911 . "RecName: Full=Outer membrane protein A; AltName: Full=Outer membrane protein II*; Flags: Precursor" . . . . . 100.00 346 100.00 100.00 1.01e-98 . . . . 25030 1 27 no SP P0C8Z2 . "RecName: Full=Outer membrane protein A; AltName: Full=Outer membrane protein II" . . . . . 93.84 243 100.00 100.00 4.53e-93 . . . . 25030 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 1 180 ALA . 25030 1 2 181 PRO . 25030 1 3 182 ALA . 25030 1 4 183 PRO . 25030 1 5 184 ALA . 25030 1 6 185 PRO . 25030 1 7 186 ALA . 25030 1 8 187 PRO . 25030 1 9 188 GLU . 25030 1 10 189 VAL . 25030 1 11 190 GLN . 25030 1 12 191 THR . 25030 1 13 192 LYS . 25030 1 14 193 HIS . 25030 1 15 194 PHE . 25030 1 16 195 THR . 25030 1 17 196 LEU . 25030 1 18 197 LYS . 25030 1 19 198 SER . 25030 1 20 199 ASP . 25030 1 21 200 VAL . 25030 1 22 201 LEU . 25030 1 23 202 PHE . 25030 1 24 203 ASN . 25030 1 25 204 PHE . 25030 1 26 205 ASN . 25030 1 27 206 LYS . 25030 1 28 207 ALA . 25030 1 29 208 THR . 25030 1 30 209 LEU . 25030 1 31 210 LYS . 25030 1 32 211 PRO . 25030 1 33 212 GLU . 25030 1 34 213 GLY . 25030 1 35 214 GLN . 25030 1 36 215 ALA . 25030 1 37 216 ALA . 25030 1 38 217 LEU . 25030 1 39 218 ASP . 25030 1 40 219 GLN . 25030 1 41 220 LEU . 25030 1 42 221 TYR . 25030 1 43 222 SER . 25030 1 44 223 GLN . 25030 1 45 224 LEU . 25030 1 46 225 SER . 25030 1 47 226 ASN . 25030 1 48 227 LEU . 25030 1 49 228 ASP . 25030 1 50 229 PRO . 25030 1 51 230 LYS . 25030 1 52 231 ASP . 25030 1 53 232 GLY . 25030 1 54 233 SER . 25030 1 55 234 VAL . 25030 1 56 235 VAL . 25030 1 57 236 VAL . 25030 1 58 237 LEU . 25030 1 59 238 GLY . 25030 1 60 239 TYR . 25030 1 61 240 THR . 25030 1 62 241 ASP . 25030 1 63 242 ARG . 25030 1 64 243 ILE . 25030 1 65 244 GLY . 25030 1 66 245 SER . 25030 1 67 246 ASP . 25030 1 68 247 ALA . 25030 1 69 248 TYR . 25030 1 70 249 ASN . 25030 1 71 250 GLN . 25030 1 72 251 GLY . 25030 1 73 252 LEU . 25030 1 74 253 SER . 25030 1 75 254 GLU . 25030 1 76 255 ARG . 25030 1 77 256 ARG . 25030 1 78 257 ALA . 25030 1 79 258 GLN . 25030 1 80 259 SER . 25030 1 81 260 VAL . 25030 1 82 261 VAL . 25030 1 83 262 ASP . 25030 1 84 263 TYR . 25030 1 85 264 LEU . 25030 1 86 265 ILE . 25030 1 87 266 SER . 25030 1 88 267 LYS . 25030 1 89 268 GLY . 25030 1 90 269 ILE . 25030 1 91 270 PRO . 25030 1 92 271 ALA . 25030 1 93 272 ASP . 25030 1 94 273 LYS . 25030 1 95 274 ILE . 25030 1 96 275 SER . 25030 1 97 276 ALA . 25030 1 98 277 ARG . 25030 1 99 278 GLY . 25030 1 100 279 MET . 25030 1 101 280 GLY . 25030 1 102 281 GLU . 25030 1 103 282 SER . 25030 1 104 283 ASN . 25030 1 105 284 PRO . 25030 1 106 285 VAL . 25030 1 107 286 THR . 25030 1 108 287 GLY . 25030 1 109 288 ASN . 25030 1 110 289 THR . 25030 1 111 290 CYS . 25030 1 112 291 ASP . 25030 1 113 292 ASN . 25030 1 114 293 VAL . 25030 1 115 294 LYS . 25030 1 116 295 GLN . 25030 1 117 296 ARG . 25030 1 118 297 ALA . 25030 1 119 298 ALA . 25030 1 120 299 LEU . 25030 1 121 300 ILE . 25030 1 122 301 ASP . 25030 1 123 302 CYS . 25030 1 124 303 LEU . 25030 1 125 304 ALA . 25030 1 126 305 PRO . 25030 1 127 306 ASP . 25030 1 128 307 ARG . 25030 1 129 308 ARG . 25030 1 130 309 VAL . 25030 1 131 310 GLU . 25030 1 132 311 ILE . 25030 1 133 312 GLU . 25030 1 134 313 VAL . 25030 1 135 314 LYS . 25030 1 136 315 GLY . 25030 1 137 316 ILE . 25030 1 138 317 LYS . 25030 1 139 318 ASP . 25030 1 140 319 VAL . 25030 1 141 320 VAL . 25030 1 142 321 THR . 25030 1 143 322 GLN . 25030 1 144 323 PRO . 25030 1 145 324 GLN . 25030 1 146 325 ALA . 25030 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 25030 1 . PRO 2 2 25030 1 . ALA 3 3 25030 1 . PRO 4 4 25030 1 . ALA 5 5 25030 1 . PRO 6 6 25030 1 . ALA 7 7 25030 1 . PRO 8 8 25030 1 . GLU 9 9 25030 1 . VAL 10 10 25030 1 . GLN 11 11 25030 1 . THR 12 12 25030 1 . LYS 13 13 25030 1 . HIS 14 14 25030 1 . PHE 15 15 25030 1 . THR 16 16 25030 1 . LEU 17 17 25030 1 . LYS 18 18 25030 1 . SER 19 19 25030 1 . ASP 20 20 25030 1 . VAL 21 21 25030 1 . LEU 22 22 25030 1 . PHE 23 23 25030 1 . ASN 24 24 25030 1 . PHE 25 25 25030 1 . ASN 26 26 25030 1 . LYS 27 27 25030 1 . ALA 28 28 25030 1 . THR 29 29 25030 1 . LEU 30 30 25030 1 . LYS 31 31 25030 1 . PRO 32 32 25030 1 . GLU 33 33 25030 1 . GLY 34 34 25030 1 . GLN 35 35 25030 1 . ALA 36 36 25030 1 . ALA 37 37 25030 1 . LEU 38 38 25030 1 . ASP 39 39 25030 1 . GLN 40 40 25030 1 . LEU 41 41 25030 1 . TYR 42 42 25030 1 . SER 43 43 25030 1 . GLN 44 44 25030 1 . LEU 45 45 25030 1 . SER 46 46 25030 1 . ASN 47 47 25030 1 . LEU 48 48 25030 1 . ASP 49 49 25030 1 . PRO 50 50 25030 1 . LYS 51 51 25030 1 . ASP 52 52 25030 1 . GLY 53 53 25030 1 . SER 54 54 25030 1 . VAL 55 55 25030 1 . VAL 56 56 25030 1 . VAL 57 57 25030 1 . LEU 58 58 25030 1 . GLY 59 59 25030 1 . TYR 60 60 25030 1 . THR 61 61 25030 1 . ASP 62 62 25030 1 . ARG 63 63 25030 1 . ILE 64 64 25030 1 . GLY 65 65 25030 1 . SER 66 66 25030 1 . ASP 67 67 25030 1 . ALA 68 68 25030 1 . TYR 69 69 25030 1 . ASN 70 70 25030 1 . GLN 71 71 25030 1 . GLY 72 72 25030 1 . LEU 73 73 25030 1 . SER 74 74 25030 1 . GLU 75 75 25030 1 . ARG 76 76 25030 1 . ARG 77 77 25030 1 . ALA 78 78 25030 1 . GLN 79 79 25030 1 . SER 80 80 25030 1 . VAL 81 81 25030 1 . VAL 82 82 25030 1 . ASP 83 83 25030 1 . TYR 84 84 25030 1 . LEU 85 85 25030 1 . ILE 86 86 25030 1 . SER 87 87 25030 1 . LYS 88 88 25030 1 . GLY 89 89 25030 1 . ILE 90 90 25030 1 . PRO 91 91 25030 1 . ALA 92 92 25030 1 . ASP 93 93 25030 1 . LYS 94 94 25030 1 . ILE 95 95 25030 1 . SER 96 96 25030 1 . ALA 97 97 25030 1 . ARG 98 98 25030 1 . GLY 99 99 25030 1 . MET 100 100 25030 1 . GLY 101 101 25030 1 . GLU 102 102 25030 1 . SER 103 103 25030 1 . ASN 104 104 25030 1 . PRO 105 105 25030 1 . VAL 106 106 25030 1 . THR 107 107 25030 1 . GLY 108 108 25030 1 . ASN 109 109 25030 1 . THR 110 110 25030 1 . CYS 111 111 25030 1 . ASP 112 112 25030 1 . ASN 113 113 25030 1 . VAL 114 114 25030 1 . LYS 115 115 25030 1 . GLN 116 116 25030 1 . ARG 117 117 25030 1 . ALA 118 118 25030 1 . ALA 119 119 25030 1 . LEU 120 120 25030 1 . ILE 121 121 25030 1 . ASP 122 122 25030 1 . CYS 123 123 25030 1 . LEU 124 124 25030 1 . ALA 125 125 25030 1 . PRO 126 126 25030 1 . ASP 127 127 25030 1 . ARG 128 128 25030 1 . ARG 129 129 25030 1 . VAL 130 130 25030 1 . GLU 131 131 25030 1 . ILE 132 132 25030 1 . GLU 133 133 25030 1 . VAL 134 134 25030 1 . LYS 135 135 25030 1 . GLY 136 136 25030 1 . ILE 137 137 25030 1 . LYS 138 138 25030 1 . ASP 139 139 25030 1 . VAL 140 140 25030 1 . VAL 141 141 25030 1 . THR 142 142 25030 1 . GLN 143 143 25030 1 . PRO 144 144 25030 1 . GLN 145 145 25030 1 . ALA 146 146 25030 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 25030 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli K12 . . . . . . . . . . . . . . . . . . . . 25030 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 25030 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pE-SUMO . . . . . . 25030 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25030 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 entity '[U-100% 15N]' . . 1 $entity . . 0.5 . . mM . . . . 25030 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25030 1 3 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 25030 1 4 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 25030 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25030 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.5 . . mM . . . . 25030 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25030 2 3 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 25030 2 4 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 25030 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25030 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.5 . . mM . . . . 25030 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25030 3 3 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 25030 3 4 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 25030 3 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 25030 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 298 . K 25030 1 pH 6 . pH 25030 1 pressure 1 . atm 25030 1 'ionic strength' 0 . M 25030 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25030 _Software.ID 1 _Software.Name CYANA _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25030 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25030 1 'structure solution' 25030 1 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25030 _Software.ID 2 _Software.Name X-PLOR_NIH _Software.Version 2.20 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25030 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25030 2 refinement 25030 2 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 25030 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25030 _NMR_spectrometer.ID 2 _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 25030 _NMR_spectrometer_list.ID 1 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 . 500 . . . 25030 1 2 spectrometer_2 Bruker Avance . 700 . . . 25030 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 25030 _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 . . . . . . . . . . . . . . . . . . . . . 25030 1 2 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25030 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25030 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25030 1 5 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25030 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25030 1 7 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25030 1 8 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25030 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25030 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25030 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 25030 _Chem_shift_reference.ID 1 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 25030 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 25030 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 25030 _Assigned_chem_shift_list.ID 1 _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' . . . 25030 1 2 '3D HNCACB' . . . 25030 1 3 '3D CBCA(CO)NH' . . . 25030 1 4 '3D HNCO' . . . 25030 1 5 '3D HN(CA)CO' . . . 25030 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 10 10 VAL H H 1 8.262 . . . . . . A 189 VAL H . 25030 1 2 . 1 1 10 10 VAL N N 15 121.331 . . . . . . A 189 VAL N . 25030 1 3 . 1 1 11 11 GLN H H 1 8.794 . . . . . . A 190 GLN H . 25030 1 4 . 1 1 11 11 GLN N N 15 124.616 . . . . . . A 190 GLN N . 25030 1 5 . 1 1 12 12 THR H H 1 8.325 . . . . . . A 191 THR H . 25030 1 6 . 1 1 12 12 THR N N 15 116.998 . . . . . . A 191 THR N . 25030 1 7 . 1 1 13 13 LYS H H 1 9.005 . . . . . . A 192 LYS H . 25030 1 8 . 1 1 13 13 LYS N N 15 124.172 . . . . . . A 192 LYS N . 25030 1 9 . 1 1 14 14 HIS H H 1 8.314 . . . . . . A 193 HIS H . 25030 1 10 . 1 1 14 14 HIS N N 15 120.545 . . . . . . A 193 HIS N . 25030 1 11 . 1 1 15 15 PHE H H 1 9.093 . . . . . . A 194 PHE H . 25030 1 12 . 1 1 15 15 PHE N N 15 122.258 . . . . . . A 194 PHE N . 25030 1 13 . 1 1 16 16 THR H H 1 8.943 . . . . . . A 195 THR H . 25030 1 14 . 1 1 16 16 THR N N 15 118.977 . . . . . . A 195 THR N . 25030 1 15 . 1 1 17 17 LEU H H 1 9.382 . . . . . . A 196 LEU H . 25030 1 16 . 1 1 17 17 LEU N N 15 127.633 . . . . . . A 196 LEU N . 25030 1 17 . 1 1 18 18 LYS H H 1 8.893 . . . . . . A 197 LYS H . 25030 1 18 . 1 1 18 18 LYS N N 15 122.163 . . . . . . A 197 LYS N . 25030 1 19 . 1 1 19 19 SER H H 1 8.641 . . . . . . A 198 SER H . 25030 1 20 . 1 1 19 19 SER N N 15 123.132 . . . . . . A 198 SER N . 25030 1 21 . 1 1 20 20 ASP H H 1 9.135 . . . . . . A 199 ASP H . 25030 1 22 . 1 1 20 20 ASP N N 15 118.369 . . . . . . A 199 ASP N . 25030 1 23 . 1 1 21 21 VAL H H 1 6.855 . . . . . . A 200 VAL H . 25030 1 24 . 1 1 21 21 VAL N N 15 116.774 . . . . . . A 200 VAL N . 25030 1 25 . 1 1 22 22 LEU H H 1 6.924 . . . . . . A 201 LEU H . 25030 1 26 . 1 1 22 22 LEU N N 15 115.293 . . . . . . A 201 LEU N . 25030 1 27 . 1 1 23 23 PHE H H 1 7.778 . . . . . . A 202 PHE H . 25030 1 28 . 1 1 23 23 PHE N N 15 111.272 . . . . . . A 202 PHE N . 25030 1 29 . 1 1 24 24 ASN H H 1 8.508 . . . . . . A 203 ASN H . 25030 1 30 . 1 1 24 24 ASN N N 15 119.638 . . . . . . A 203 ASN N . 25030 1 31 . 1 1 25 25 PHE H H 1 7.482 . . . . . . A 204 PHE H . 25030 1 32 . 1 1 25 25 PHE N N 15 120.488 . . . . . . A 204 PHE N . 25030 1 33 . 1 1 26 26 ASN H H 1 8.622 . . . . . . A 205 ASN H . 25030 1 34 . 1 1 26 26 ASN N N 15 114.473 . . . . . . A 205 ASN N . 25030 1 35 . 1 1 29 29 THR H H 1 7.197 . . . . . . A 208 THR H . 25030 1 36 . 1 1 29 29 THR N N 15 109.984 . . . . . . A 208 THR N . 25030 1 37 . 1 1 30 30 LEU H H 1 8.874 . . . . . . A 209 LEU H . 25030 1 38 . 1 1 30 30 LEU N N 15 124.628 . . . . . . A 209 LEU N . 25030 1 39 . 1 1 31 31 LYS H H 1 8.481 . . . . . . A 210 LYS H . 25030 1 40 . 1 1 31 31 LYS N N 15 123.663 . . . . . . A 210 LYS N . 25030 1 41 . 1 1 33 33 GLU H H 1 10.086 . . . . . . A 212 GLU H . 25030 1 42 . 1 1 33 33 GLU N N 15 118.009 . . . . . . A 212 GLU N . 25030 1 43 . 1 1 34 34 GLY H H 1 7.619 . . . . . . A 213 GLY H . 25030 1 44 . 1 1 34 34 GLY N N 15 110.379 . . . . . . A 213 GLY N . 25030 1 45 . 1 1 35 35 GLN H H 1 7.815 . . . . . . A 214 GLN H . 25030 1 46 . 1 1 35 35 GLN N N 15 121.362 . . . . . . A 214 GLN N . 25030 1 47 . 1 1 36 36 ALA H H 1 7.831 . . . . . . A 215 ALA H . 25030 1 48 . 1 1 36 36 ALA N N 15 118.897 . . . . . . A 215 ALA N . 25030 1 49 . 1 1 37 37 ALA H H 1 7.528 . . . . . . A 216 ALA H . 25030 1 50 . 1 1 37 37 ALA N N 15 120.925 . . . . . . A 216 ALA N . 25030 1 51 . 1 1 38 38 LEU H H 1 7.930 . . . . . . A 217 LEU H . 25030 1 52 . 1 1 38 38 LEU N N 15 119.535 . . . . . . A 217 LEU N . 25030 1 53 . 1 1 39 39 ASP H H 1 9.000 . . . . . . A 218 ASP H . 25030 1 54 . 1 1 39 39 ASP N N 15 123.523 . . . . . . A 218 ASP N . 25030 1 55 . 1 1 40 40 GLN H H 1 7.715 . . . . . . A 219 GLN H . 25030 1 56 . 1 1 40 40 GLN N N 15 119.786 . . . . . . A 219 GLN N . 25030 1 57 . 1 1 41 41 LEU H H 1 7.750 . . . . . . A 220 LEU H . 25030 1 58 . 1 1 41 41 LEU N N 15 121.571 . . . . . . A 220 LEU N . 25030 1 59 . 1 1 42 42 TYR H H 1 8.841 . . . . . . A 221 TYR H . 25030 1 60 . 1 1 42 42 TYR N N 15 119.360 . . . . . . A 221 TYR N . 25030 1 61 . 1 1 43 43 SER H H 1 7.811 . . . . . . A 222 SER H . 25030 1 62 . 1 1 43 43 SER N N 15 113.313 . . . . . . A 222 SER N . 25030 1 63 . 1 1 44 44 GLN H H 1 7.670 . . . . . . A 223 GLN H . 25030 1 64 . 1 1 44 44 GLN N N 15 118.639 . . . . . . A 223 GLN N . 25030 1 65 . 1 1 45 45 LEU H H 1 7.578 . . . . . . A 224 LEU H . 25030 1 66 . 1 1 45 45 LEU N N 15 117.925 . . . . . . A 224 LEU N . 25030 1 67 . 1 1 46 46 SER H H 1 7.193 . . . . . . A 225 SER H . 25030 1 68 . 1 1 46 46 SER N N 15 112.354 . . . . . . A 225 SER N . 25030 1 69 . 1 1 47 47 ASN H H 1 8.240 . . . . . . A 226 ASN H . 25030 1 70 . 1 1 47 47 ASN N N 15 119.790 . . . . . . A 226 ASN N . 25030 1 71 . 1 1 48 48 LEU H H 1 7.523 . . . . . . A 227 LEU H . 25030 1 72 . 1 1 48 48 LEU N N 15 121.369 . . . . . . A 227 LEU N . 25030 1 73 . 1 1 49 49 ASP H H 1 8.908 . . . . . . A 228 ASP H . 25030 1 74 . 1 1 49 49 ASP N N 15 127.654 . . . . . . A 228 ASP N . 25030 1 75 . 1 1 51 51 LYS H H 1 8.212 . . . . . . A 230 LYS H . 25030 1 76 . 1 1 51 51 LYS N N 15 118.263 . . . . . . A 230 LYS N . 25030 1 77 . 1 1 52 52 ASP H H 1 8.521 . . . . . . A 231 ASP H . 25030 1 78 . 1 1 52 52 ASP N N 15 117.200 . . . . . . A 231 ASP N . 25030 1 79 . 1 1 53 53 GLY H H 1 8.007 . . . . . . A 232 GLY H . 25030 1 80 . 1 1 53 53 GLY N N 15 109.151 . . . . . . A 232 GLY N . 25030 1 81 . 1 1 54 54 SER H H 1 8.668 . . . . . . A 233 SER H . 25030 1 82 . 1 1 54 54 SER N N 15 116.106 . . . . . . A 233 SER N . 25030 1 83 . 1 1 55 55 VAL H H 1 9.039 . . . . . . A 234 VAL H . 25030 1 84 . 1 1 55 55 VAL N N 15 121.897 . . . . . . A 234 VAL N . 25030 1 85 . 1 1 56 56 VAL H H 1 9.227 . . . . . . A 235 VAL H . 25030 1 86 . 1 1 56 56 VAL N N 15 129.796 . . . . . . A 235 VAL N . 25030 1 87 . 1 1 57 57 VAL H H 1 8.820 . . . . . . A 236 VAL H . 25030 1 88 . 1 1 57 57 VAL N N 15 127.617 . . . . . . A 236 VAL N . 25030 1 89 . 1 1 58 58 LEU H H 1 9.732 . . . . . . A 237 LEU H . 25030 1 90 . 1 1 58 58 LEU N N 15 127.719 . . . . . . A 237 LEU N . 25030 1 91 . 1 1 59 59 GLY H H 1 8.608 . . . . . . A 238 GLY H . 25030 1 92 . 1 1 59 59 GLY N N 15 108.192 . . . . . . A 238 GLY N . 25030 1 93 . 1 1 60 60 TYR H H 1 8.546 . . . . . . A 239 TYR H . 25030 1 94 . 1 1 60 60 TYR N N 15 122.266 . . . . . . A 239 TYR N . 25030 1 95 . 1 1 61 61 THR H H 1 8.735 . . . . . . A 240 THR H . 25030 1 96 . 1 1 61 61 THR N N 15 112.806 . . . . . . A 240 THR N . 25030 1 97 . 1 1 62 62 ASP H H 1 7.098 . . . . . . A 241 ASP H . 25030 1 98 . 1 1 62 62 ASP N N 15 114.484 . . . . . . A 241 ASP N . 25030 1 99 . 1 1 65 65 GLY H H 1 8.556 . . . . . . A 244 GLY H . 25030 1 100 . 1 1 65 65 GLY N N 15 114.651 . . . . . . A 244 GLY N . 25030 1 101 . 1 1 66 66 SER H H 1 8.386 . . . . . . A 245 SER H . 25030 1 102 . 1 1 66 66 SER N N 15 115.483 . . . . . . A 245 SER N . 25030 1 103 . 1 1 67 67 ASP H H 1 8.843 . . . . . . A 246 ASP H . 25030 1 104 . 1 1 67 67 ASP N N 15 125.775 . . . . . . A 246 ASP N . 25030 1 105 . 1 1 68 68 ALA H H 1 8.493 . . . . . . A 247 ALA H . 25030 1 106 . 1 1 68 68 ALA N N 15 122.858 . . . . . . A 247 ALA N . 25030 1 107 . 1 1 69 69 TYR H H 1 7.837 . . . . . . A 248 TYR H . 25030 1 108 . 1 1 69 69 TYR N N 15 120.739 . . . . . . A 248 TYR N . 25030 1 109 . 1 1 70 70 ASN H H 1 8.653 . . . . . . A 249 ASN H . 25030 1 110 . 1 1 70 70 ASN N N 15 119.607 . . . . . . A 249 ASN N . 25030 1 111 . 1 1 71 71 GLN H H 1 8.697 . . . . . . A 250 GLN H . 25030 1 112 . 1 1 71 71 GLN N N 15 122.604 . . . . . . A 250 GLN N . 25030 1 113 . 1 1 72 72 GLY H H 1 7.806 . . . . . . A 251 GLY H . 25030 1 114 . 1 1 72 72 GLY N N 15 108.054 . . . . . . A 251 GLY N . 25030 1 115 . 1 1 73 73 LEU H H 1 8.289 . . . . . . A 252 LEU H . 25030 1 116 . 1 1 73 73 LEU N N 15 122.869 . . . . . . A 252 LEU N . 25030 1 117 . 1 1 74 74 SER H H 1 8.476 . . . . . . A 253 SER H . 25030 1 118 . 1 1 74 74 SER N N 15 114.363 . . . . . . A 253 SER N . 25030 1 119 . 1 1 75 75 GLU H H 1 7.619 . . . . . . A 254 GLU H . 25030 1 120 . 1 1 75 75 GLU N N 15 125.148 . . . . . . A 254 GLU N . 25030 1 121 . 1 1 76 76 ARG H H 1 8.113 . . . . . . A 255 ARG H . 25030 1 122 . 1 1 76 76 ARG N N 15 118.707 . . . . . . A 255 ARG N . 25030 1 123 . 1 1 77 77 ARG H H 1 8.521 . . . . . . A 256 ARG H . 25030 1 124 . 1 1 77 77 ARG N N 15 119.645 . . . . . . A 256 ARG N . 25030 1 125 . 1 1 78 78 ALA H H 1 7.900 . . . . . . A 257 ALA H . 25030 1 126 . 1 1 78 78 ALA N N 15 121.005 . . . . . . A 257 ALA N . 25030 1 127 . 1 1 79 79 GLN H H 1 8.503 . . . . . . A 258 GLN H . 25030 1 128 . 1 1 79 79 GLN N N 15 117.150 . . . . . . A 258 GLN N . 25030 1 129 . 1 1 80 80 SER H H 1 8.365 . . . . . . A 259 SER H . 25030 1 130 . 1 1 80 80 SER N N 15 116.383 . . . . . . A 259 SER N . 25030 1 131 . 1 1 81 81 VAL H H 1 7.644 . . . . . . A 260 VAL H . 25030 1 132 . 1 1 81 81 VAL N N 15 121.286 . . . . . . A 260 VAL N . 25030 1 133 . 1 1 82 82 VAL H H 1 8.116 . . . . . . A 261 VAL H . 25030 1 134 . 1 1 82 82 VAL N N 15 120.921 . . . . . . A 261 VAL N . 25030 1 135 . 1 1 83 83 ASP H H 1 9.281 . . . . . . A 262 ASP H . 25030 1 136 . 1 1 83 83 ASP N N 15 119.045 . . . . . . A 262 ASP N . 25030 1 137 . 1 1 84 84 TYR H H 1 7.997 . . . . . . A 263 TYR H . 25030 1 138 . 1 1 84 84 TYR N N 15 121.715 . . . . . . A 263 TYR N . 25030 1 139 . 1 1 85 85 LEU H H 1 8.541 . . . . . . A 264 LEU H . 25030 1 140 . 1 1 85 85 LEU N N 15 120.621 . . . . . . A 264 LEU N . 25030 1 141 . 1 1 86 86 ILE H H 1 9.108 . . . . . . A 265 ILE H . 25030 1 142 . 1 1 86 86 ILE N N 15 122.604 . . . . . . A 265 ILE N . 25030 1 143 . 1 1 87 87 SER H H 1 7.845 . . . . . . A 266 SER H . 25030 1 144 . 1 1 87 87 SER N N 15 118.909 . . . . . . A 266 SER N . 25030 1 145 . 1 1 88 88 LYS H H 1 7.156 . . . . . . A 267 LYS H . 25030 1 146 . 1 1 88 88 LYS N N 15 119.433 . . . . . . A 267 LYS N . 25030 1 147 . 1 1 89 89 GLY H H 1 7.367 . . . . . . A 268 GLY H . 25030 1 148 . 1 1 89 89 GLY N N 15 102.890 . . . . . . A 268 GLY N . 25030 1 149 . 1 1 90 90 ILE H H 1 8.056 . . . . . . A 269 ILE H . 25030 1 150 . 1 1 90 90 ILE N N 15 125.099 . . . . . . A 269 ILE N . 25030 1 151 . 1 1 92 92 ALA H H 1 8.715 . . . . . . A 271 ALA H . 25030 1 152 . 1 1 92 92 ALA N N 15 125.137 . . . . . . A 271 ALA N . 25030 1 153 . 1 1 93 93 ASP H H 1 8.482 . . . . . . A 272 ASP H . 25030 1 154 . 1 1 93 93 ASP N N 15 110.817 . . . . . . A 272 ASP N . 25030 1 155 . 1 1 94 94 LYS H H 1 7.887 . . . . . . A 273 LYS H . 25030 1 156 . 1 1 94 94 LYS N N 15 117.412 . . . . . . A 273 LYS N . 25030 1 157 . 1 1 95 95 ILE H H 1 7.339 . . . . . . A 274 ILE H . 25030 1 158 . 1 1 95 95 ILE N N 15 116.649 . . . . . . A 274 ILE N . 25030 1 159 . 1 1 96 96 SER H H 1 7.936 . . . . . . A 275 SER H . 25030 1 160 . 1 1 96 96 SER N N 15 118.157 . . . . . . A 275 SER N . 25030 1 161 . 1 1 97 97 ALA H H 1 8.679 . . . . . . A 276 ALA H . 25030 1 162 . 1 1 97 97 ALA N N 15 123.086 . . . . . . A 276 ALA N . 25030 1 163 . 1 1 98 98 ARG H H 1 9.013 . . . . . . A 277 ARG H . 25030 1 164 . 1 1 98 98 ARG N N 15 119.691 . . . . . . A 277 ARG N . 25030 1 165 . 1 1 99 99 GLY H H 1 9.350 . . . . . . A 278 GLY H . 25030 1 166 . 1 1 99 99 GLY N N 15 112.485 . . . . . . A 278 GLY N . 25030 1 167 . 1 1 100 100 MET H H 1 8.917 . . . . . . A 279 MET H . 25030 1 168 . 1 1 100 100 MET N N 15 123.602 . . . . . . A 279 MET N . 25030 1 169 . 1 1 101 101 GLY H H 1 8.711 . . . . . . A 280 GLY H . 25030 1 170 . 1 1 101 101 GLY N N 15 110.641 . . . . . . A 280 GLY N . 25030 1 171 . 1 1 102 102 GLU H H 1 8.661 . . . . . . A 281 GLU H . 25030 1 172 . 1 1 102 102 GLU N N 15 122.478 . . . . . . A 281 GLU N . 25030 1 173 . 1 1 103 103 SER H H 1 7.902 . . . . . . A 282 SER H . 25030 1 174 . 1 1 103 103 SER N N 15 117.410 . . . . . . A 282 SER N . 25030 1 175 . 1 1 104 104 ASN H H 1 8.998 . . . . . . A 283 ASN H . 25030 1 176 . 1 1 104 104 ASN N N 15 114.298 . . . . . . A 283 ASN N . 25030 1 177 . 1 1 106 106 VAL H H 1 8.518 . . . . . . A 285 VAL H . 25030 1 178 . 1 1 106 106 VAL N N 15 124.829 . . . . . . A 285 VAL N . 25030 1 179 . 1 1 107 107 THR H H 1 10.189 . . . . . . A 286 THR H . 25030 1 180 . 1 1 107 107 THR N N 15 113.159 . . . . . . A 286 THR N . 25030 1 181 . 1 1 108 108 GLY H H 1 7.312 . . . . . . A 287 GLY H . 25030 1 182 . 1 1 108 108 GLY N N 15 110.132 . . . . . . A 287 GLY N . 25030 1 183 . 1 1 109 109 ASN H H 1 9.098 . . . . . . A 288 ASN H . 25030 1 184 . 1 1 109 109 ASN N N 15 126.937 . . . . . . A 288 ASN N . 25030 1 185 . 1 1 110 110 THR H H 1 8.611 . . . . . . A 289 THR H . 25030 1 186 . 1 1 110 110 THR N N 15 115.267 . . . . . . A 289 THR N . 25030 1 187 . 1 1 111 111 CYS H H 1 8.551 . . . . . . A 290 CYS H . 25030 1 188 . 1 1 111 111 CYS N N 15 117.405 . . . . . . A 290 CYS N . 25030 1 189 . 1 1 112 112 ASP H H 1 8.687 . . . . . . A 291 ASP H . 25030 1 190 . 1 1 112 112 ASP N N 15 122.053 . . . . . . A 291 ASP N . 25030 1 191 . 1 1 113 113 ASN H H 1 8.755 . . . . . . A 292 ASN H . 25030 1 192 . 1 1 113 113 ASN N N 15 121.647 . . . . . . A 292 ASN N . 25030 1 193 . 1 1 114 114 VAL H H 1 7.398 . . . . . . A 293 VAL H . 25030 1 194 . 1 1 114 114 VAL N N 15 122.778 . . . . . . A 293 VAL N . 25030 1 195 . 1 1 115 115 LYS H H 1 8.385 . . . . . . A 294 LYS H . 25030 1 196 . 1 1 115 115 LYS N N 15 125.245 . . . . . . A 294 LYS N . 25030 1 197 . 1 1 116 116 GLN H H 1 7.778 . . . . . . A 295 GLN H . 25030 1 198 . 1 1 116 116 GLN N N 15 120.298 . . . . . . A 295 GLN N . 25030 1 199 . 1 1 117 117 ARG H H 1 8.793 . . . . . . A 296 ARG H . 25030 1 200 . 1 1 117 117 ARG N N 15 126.561 . . . . . . A 296 ARG N . 25030 1 201 . 1 1 118 118 ALA H H 1 8.687 . . . . . . A 297 ALA H . 25030 1 202 . 1 1 118 118 ALA N N 15 119.550 . . . . . . A 297 ALA N . 25030 1 203 . 1 1 119 119 ALA H H 1 7.075 . . . . . . A 298 ALA H . 25030 1 204 . 1 1 119 119 ALA N N 15 119.106 . . . . . . A 298 ALA N . 25030 1 205 . 1 1 120 120 LEU H H 1 8.705 . . . . . . A 299 LEU H . 25030 1 206 . 1 1 120 120 LEU N N 15 124.787 . . . . . . A 299 LEU N . 25030 1 207 . 1 1 121 121 ILE H H 1 8.318 . . . . . . A 300 ILE H . 25030 1 208 . 1 1 121 121 ILE N N 15 119.258 . . . . . . A 300 ILE N . 25030 1 209 . 1 1 122 122 ASP H H 1 7.489 . . . . . . A 301 ASP H . 25030 1 210 . 1 1 122 122 ASP N N 15 119.186 . . . . . . A 301 ASP N . 25030 1 211 . 1 1 123 123 CYS H H 1 8.463 . . . . . . A 302 CYS H . 25030 1 212 . 1 1 123 123 CYS N N 15 122.732 . . . . . . A 302 CYS N . 25030 1 213 . 1 1 124 124 LEU H H 1 8.087 . . . . . . A 303 LEU H . 25030 1 214 . 1 1 124 124 LEU N N 15 114.848 . . . . . . A 303 LEU N . 25030 1 215 . 1 1 125 125 ALA H H 1 7.335 . . . . . . A 304 ALA H . 25030 1 216 . 1 1 125 125 ALA N N 15 122.942 . . . . . . A 304 ALA N . 25030 1 217 . 1 1 127 127 ASP H H 1 8.061 . . . . . . A 306 ASP H . 25030 1 218 . 1 1 127 127 ASP N N 15 112.399 . . . . . . A 306 ASP N . 25030 1 219 . 1 1 128 128 ARG H H 1 7.577 . . . . . . A 307 ARG H . 25030 1 220 . 1 1 128 128 ARG N N 15 117.200 . . . . . . A 307 ARG N . 25030 1 221 . 1 1 129 129 ARG H H 1 7.753 . . . . . . A 308 ARG H . 25030 1 222 . 1 1 129 129 ARG N N 15 124.332 . . . . . . A 308 ARG N . 25030 1 223 . 1 1 130 130 VAL H H 1 9.020 . . . . . . A 309 VAL H . 25030 1 224 . 1 1 130 130 VAL N N 15 118.897 . . . . . . A 309 VAL N . 25030 1 225 . 1 1 131 131 GLU H H 1 9.652 . . . . . . A 310 GLU H . 25030 1 226 . 1 1 131 131 GLU N N 15 125.678 . . . . . . A 310 GLU N . 25030 1 227 . 1 1 132 132 ILE H H 1 9.405 . . . . . . A 311 ILE H . 25030 1 228 . 1 1 132 132 ILE N N 15 122.760 . . . . . . A 311 ILE N . 25030 1 229 . 1 1 133 133 GLU H H 1 9.367 . . . . . . A 312 GLU H . 25030 1 230 . 1 1 133 133 GLU N N 15 127.936 . . . . . . A 312 GLU N . 25030 1 231 . 1 1 134 134 VAL H H 1 9.181 . . . . . . A 313 VAL H . 25030 1 232 . 1 1 134 134 VAL N N 15 126.568 . . . . . . A 313 VAL N . 25030 1 233 . 1 1 135 135 LYS H H 1 9.095 . . . . . . A 314 LYS H . 25030 1 234 . 1 1 135 135 LYS N N 15 128.273 . . . . . . A 314 LYS N . 25030 1 235 . 1 1 136 136 GLY H H 1 8.446 . . . . . . A 315 GLY H . 25030 1 236 . 1 1 136 136 GLY N N 15 108.188 . . . . . . A 315 GLY N . 25030 1 237 . 1 1 137 137 ILE H H 1 7.953 . . . . . . A 316 ILE H . 25030 1 238 . 1 1 137 137 ILE N N 15 119.528 . . . . . . A 316 ILE N . 25030 1 239 . 1 1 138 138 LYS H H 1 8.210 . . . . . . A 317 LYS H . 25030 1 240 . 1 1 138 138 LYS N N 15 127.180 . . . . . . A 317 LYS N . 25030 1 241 . 1 1 139 139 ASP H H 1 8.422 . . . . . . A 318 ASP H . 25030 1 242 . 1 1 139 139 ASP N N 15 122.691 . . . . . . A 318 ASP N . 25030 1 243 . 1 1 140 140 VAL H H 1 8.223 . . . . . . A 319 VAL H . 25030 1 244 . 1 1 140 140 VAL N N 15 120.583 . . . . . . A 319 VAL N . 25030 1 245 . 1 1 141 141 VAL H H 1 8.361 . . . . . . A 320 VAL H . 25030 1 246 . 1 1 141 141 VAL N N 15 124.833 . . . . . . A 320 VAL N . 25030 1 247 . 1 1 142 142 THR H H 1 8.351 . . . . . . A 321 THR H . 25030 1 248 . 1 1 142 142 THR N N 15 119.444 . . . . . . A 321 THR N . 25030 1 249 . 1 1 143 143 GLN H H 1 8.458 . . . . . . A 322 GLN H . 25030 1 250 . 1 1 143 143 GLN N N 15 124.373 . . . . . . A 322 GLN N . 25030 1 251 . 1 1 145 145 GLN H H 1 8.539 . . . . . . A 324 GLN H . 25030 1 252 . 1 1 145 145 GLN N N 15 121.431 . . . . . . A 324 GLN N . 25030 1 253 . 1 1 146 146 ALA H H 1 8.075 . . . . . . A 325 ALA H . 25030 1 254 . 1 1 146 146 ALA N N 15 131.669 . . . . . . A 325 ALA N . 25030 1 stop_ save_