data_17570 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17570 _Entry.Title ; Solid-state NMR assignment of the C-terminal domain of the Ure2p prion in its fibrillar form ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-04-01 _Entry.Accession_date 2011-04-01 _Entry.Last_release_date 2012-06-19 _Entry.Original_release_date 2012-06-19 _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 SOLID-STATE _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 Birgit Habenstein . . . 17570 2 Christian Wasmer . . . 17570 3 Luc Bousset . . . 17570 4 Yannick Sourigues . . . 17570 5 Antoine Loquet . . . 17570 6 Beat Meier . H. . 17570 7 Ronald Melki . . . 17570 8 Anja Bockmann . . . 17570 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17570 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 527 17570 '15N chemical shifts' 167 17570 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 . . 2012-06-19 2011-04-01 original author . 17570 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17499 'C-terminal domain of Ure2p in microcrystals' 17570 PDB 1G6Y 'C-terminal domain x-ray structure' 17570 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17570 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21805376 _Citation.Full_citation . _Citation.Title 'Extensive de novo solid-state NMR assignments of the 33 kDa C-terminal domain of the Ure2 prion.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 51 _Citation.Journal_issue 3 _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 235 _Citation.Page_last 243 _Citation.Year 2011 _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 Birgit Habenstein . . . 17570 1 2 Christian Wasmer . . . 17570 1 3 Luc Bousset . . . 17570 1 4 Yannick Sourigues . . . 17570 1 5 Anne Schutz . . . 17570 1 6 Antoine Loquet . . . 17570 1 7 Beat Meier . H. . 17570 1 8 Ronald Melki . . . 17570 1 9 Anja Bockmann . . . 17570 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17570 _Assembly.ID 1 _Assembly.Name 'Ure2p prion' _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 40270.77 _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 Ure2p 1 $Ure2p A . yes native no no . . . 17570 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID prion 17570 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ure2p _Entity.Sf_category entity _Entity.Sf_framecode Ure2p _Entity.Entry_ID 17570 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Ure2p prion' _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 ; MMNNNGNQVSNLSNALRQVN IGNRNSNTTTDQSNINFEFS TGVNNNNNNNSSSNNNNVQN NNSGRNGSQNNDNENNIKNT LEQHRQQQQAFSDMSHVEYS RITKFFQEQPLEGYTLFSHR SAPNGFKVAIVLSELGFHYN TIFLDFNLGEHRAPEFVSVN PNARVPALIDHGMDNLSIWE SGAILLHLVNKYYKETGNPL LWSDDLADQSQINAWLFFQT SGHAPMIGQALHFRYFHSQK IASAVERYTDEVRRVYGVVE MALAERREALVMELDTENAA AYSAGTTPMSQSRFFDYPVW LVGDKLTIADLAFVPWNNVV DRIGINIKIEFPEVYKWTKH MMRRPAVIKALRGE ; _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 354 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40270.77 _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 BMRB 17499 . Ure2p70-354 . . . . . 80.51 295 100.00 100.00 0.00e+00 . . . . 17570 1 2 no PDB 1G6W . "Crystal Structure Of The Globular Region Of The Prion Protein Ure2 From The Yeast Saccaromyces Cerevisiae" . . . . . 73.73 261 100.00 100.00 0.00e+00 . . . . 17570 1 3 no PDB 1G6Y . "Crystal Structure Of The Globular Region Of The Prion Protien Ure2 From Yeast Saccharomyces Cerevisiae" . . . . . 73.73 261 100.00 100.00 0.00e+00 . . . . 17570 1 4 no PDB 1HQO . "Crystal Structure Of The Nitrogen Regulation Fragment Of The Yeast Prion Protein Ure2p" . . . . . 72.88 258 97.29 97.29 0.00e+00 . . . . 17570 1 5 no PDB 1JZR . "Ure2p In Complex With Glutathione" . . . . . 73.45 260 100.00 100.00 0.00e+00 . . . . 17570 1 6 no PDB 1K0A . "Ure2p In Complex With S-Hexylglutathione" . . . . . 73.45 260 100.00 100.00 0.00e+00 . . . . 17570 1 7 no PDB 1K0B . "Ure2p In Complex With Glutathione" . . . . . 73.45 260 100.00 100.00 0.00e+00 . . . . 17570 1 8 no PDB 1K0C . "Ure2p In Complex With S-P-Nitrobenzylglutathione" . . . . . 73.45 260 100.00 100.00 0.00e+00 . . . . 17570 1 9 no PDB 1K0D . "Ure2p In Complex With Glutathione" . . . . . 73.45 260 100.00 100.00 0.00e+00 . . . . 17570 1 10 no DBJ GAA25878 . "K7_Ure2p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 354 100.00 100.00 0.00e+00 . . . . 17570 1 11 no EMBL CAA93369 . "N1165 [Saccharomyces cerevisiae]" . . . . . 100.00 354 100.00 100.00 0.00e+00 . . . . 17570 1 12 no EMBL CAA96134 . "URE2 [Saccharomyces cerevisiae]" . . . . . 100.00 354 100.00 100.00 0.00e+00 . . . . 17570 1 13 no EMBL CAY82378 . "Ure2p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 354 100.00 100.00 0.00e+00 . . . . 17570 1 14 no GB AAA35201 . "glutathione transferase-like protein [Saccharomyces cerevisiae]" . . . . . 100.00 354 100.00 100.00 0.00e+00 . . . . 17570 1 15 no GB AAK51641 . "Ure2p [Saccharomyces douglasii]" . . . . . 101.41 359 96.94 97.77 0.00e+00 . . . . 17570 1 16 no GB AAM91938 . "Ure2p [Saccharomyces paradoxus]" . . . . . 101.41 359 96.94 97.77 0.00e+00 . . . . 17570 1 17 no GB AAM93167 . "Ure2p [Saccharomyces cerevisiae]" . . . . . 100.00 354 100.00 100.00 0.00e+00 . . . . 17570 1 18 no GB AAM93168 . "Ure2p [Saccharomyces cerevisiae]" . . . . . 100.00 354 100.00 100.00 0.00e+00 . . . . 17570 1 19 no REF NP_014170 . "Ure2p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 354 100.00 100.00 0.00e+00 . . . . 17570 1 20 no SP P23202 . "RecName: Full=Transcriptional regulator URE2; AltName: Full=Disulfide reductase; AltName: Full=Glutathione peroxidase" . . . . . 100.00 354 100.00 100.00 0.00e+00 . . . . 17570 1 21 no SP Q7LLZ8 . "RecName: Full=Protein URE2" . . . . . 101.41 359 96.94 97.77 0.00e+00 . . . . 17570 1 22 no TPG DAA10329 . "TPA: Ure2p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 354 100.00 100.00 0.00e+00 . . . . 17570 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'nitrogen-dependent repression of the ureidosuccinate utilization pathway' 17570 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 -112 MET . 17570 1 2 -111 MET . 17570 1 3 -110 ASN . 17570 1 4 -109 ASN . 17570 1 5 -108 ASN . 17570 1 6 -107 GLY . 17570 1 7 -106 ASN . 17570 1 8 -105 GLN . 17570 1 9 -104 VAL . 17570 1 10 -103 SER . 17570 1 11 -102 ASN . 17570 1 12 -101 LEU . 17570 1 13 -100 SER . 17570 1 14 -99 ASN . 17570 1 15 -98 ALA . 17570 1 16 -97 LEU . 17570 1 17 -96 ARG . 17570 1 18 -95 GLN . 17570 1 19 -94 VAL . 17570 1 20 -93 ASN . 17570 1 21 -92 ILE . 17570 1 22 -91 GLY . 17570 1 23 -90 ASN . 17570 1 24 -89 ARG . 17570 1 25 -88 ASN . 17570 1 26 -87 SER . 17570 1 27 -86 ASN . 17570 1 28 -85 THR . 17570 1 29 -84 THR . 17570 1 30 -83 THR . 17570 1 31 -82 ASP . 17570 1 32 -81 GLN . 17570 1 33 -80 SER . 17570 1 34 -79 ASN . 17570 1 35 -78 ILE . 17570 1 36 -77 ASN . 17570 1 37 -76 PHE . 17570 1 38 -75 GLU . 17570 1 39 -74 PHE . 17570 1 40 -73 SER . 17570 1 41 -72 THR . 17570 1 42 -71 GLY . 17570 1 43 -70 VAL . 17570 1 44 -69 ASN . 17570 1 45 -68 ASN . 17570 1 46 -67 ASN . 17570 1 47 -66 ASN . 17570 1 48 -65 ASN . 17570 1 49 -64 ASN . 17570 1 50 -63 ASN . 17570 1 51 -62 SER . 17570 1 52 -61 SER . 17570 1 53 -60 SER . 17570 1 54 -59 ASN . 17570 1 55 -58 ASN . 17570 1 56 -57 ASN . 17570 1 57 -56 ASN . 17570 1 58 -55 VAL . 17570 1 59 -54 GLN . 17570 1 60 -53 ASN . 17570 1 61 -52 ASN . 17570 1 62 -51 ASN . 17570 1 63 -50 SER . 17570 1 64 -49 GLY . 17570 1 65 -48 ARG . 17570 1 66 -47 ASN . 17570 1 67 -46 GLY . 17570 1 68 -45 SER . 17570 1 69 -44 GLN . 17570 1 70 -43 ASN . 17570 1 71 -42 ASN . 17570 1 72 -41 ASP . 17570 1 73 -40 ASN . 17570 1 74 -39 GLU . 17570 1 75 -38 ASN . 17570 1 76 -37 ASN . 17570 1 77 -36 ILE . 17570 1 78 -35 LYS . 17570 1 79 -34 ASN . 17570 1 80 -33 THR . 17570 1 81 -32 LEU . 17570 1 82 -31 GLU . 17570 1 83 -30 GLN . 17570 1 84 -29 HIS . 17570 1 85 -28 ARG . 17570 1 86 -27 GLN . 17570 1 87 -26 GLN . 17570 1 88 -25 GLN . 17570 1 89 -24 GLN . 17570 1 90 -23 ALA . 17570 1 91 -22 PHE . 17570 1 92 -21 SER . 17570 1 93 -20 ASP . 17570 1 94 -19 MET . 17570 1 95 -18 SER . 17570 1 96 -17 HIS . 17570 1 97 -16 VAL . 17570 1 98 -15 GLU . 17570 1 99 -14 TYR . 17570 1 100 -13 SER . 17570 1 101 -12 ARG . 17570 1 102 -11 ILE . 17570 1 103 -10 THR . 17570 1 104 -9 LYS . 17570 1 105 -8 PHE . 17570 1 106 -7 PHE . 17570 1 107 -6 GLN . 17570 1 108 -5 GLU . 17570 1 109 -4 GLN . 17570 1 110 -3 PRO . 17570 1 111 -2 LEU . 17570 1 112 -1 GLU . 17570 1 113 0 GLY . 17570 1 114 1 TYR . 17570 1 115 2 THR . 17570 1 116 3 LEU . 17570 1 117 4 PHE . 17570 1 118 5 SER . 17570 1 119 6 HIS . 17570 1 120 7 ARG . 17570 1 121 8 SER . 17570 1 122 9 ALA . 17570 1 123 10 PRO . 17570 1 124 11 ASN . 17570 1 125 12 GLY . 17570 1 126 13 PHE . 17570 1 127 14 LYS . 17570 1 128 15 VAL . 17570 1 129 16 ALA . 17570 1 130 17 ILE . 17570 1 131 18 VAL . 17570 1 132 19 LEU . 17570 1 133 20 SER . 17570 1 134 21 GLU . 17570 1 135 22 LEU . 17570 1 136 23 GLY . 17570 1 137 24 PHE . 17570 1 138 25 HIS . 17570 1 139 26 TYR . 17570 1 140 27 ASN . 17570 1 141 28 THR . 17570 1 142 29 ILE . 17570 1 143 30 PHE . 17570 1 144 31 LEU . 17570 1 145 32 ASP . 17570 1 146 33 PHE . 17570 1 147 34 ASN . 17570 1 148 35 LEU . 17570 1 149 36 GLY . 17570 1 150 37 GLU . 17570 1 151 38 HIS . 17570 1 152 39 ARG . 17570 1 153 40 ALA . 17570 1 154 41 PRO . 17570 1 155 42 GLU . 17570 1 156 43 PHE . 17570 1 157 44 VAL . 17570 1 158 45 SER . 17570 1 159 46 VAL . 17570 1 160 47 ASN . 17570 1 161 48 PRO . 17570 1 162 49 ASN . 17570 1 163 50 ALA . 17570 1 164 51 ARG . 17570 1 165 52 VAL . 17570 1 166 53 PRO . 17570 1 167 54 ALA . 17570 1 168 55 LEU . 17570 1 169 56 ILE . 17570 1 170 57 ASP . 17570 1 171 58 HIS . 17570 1 172 59 GLY . 17570 1 173 60 MET . 17570 1 174 61 ASP . 17570 1 175 62 ASN . 17570 1 176 63 LEU . 17570 1 177 64 SER . 17570 1 178 65 ILE . 17570 1 179 66 TRP . 17570 1 180 67 GLU . 17570 1 181 68 SER . 17570 1 182 69 GLY . 17570 1 183 70 ALA . 17570 1 184 71 ILE . 17570 1 185 72 LEU . 17570 1 186 73 LEU . 17570 1 187 74 HIS . 17570 1 188 75 LEU . 17570 1 189 76 VAL . 17570 1 190 77 ASN . 17570 1 191 78 LYS . 17570 1 192 79 TYR . 17570 1 193 80 TYR . 17570 1 194 81 LYS . 17570 1 195 82 GLU . 17570 1 196 83 THR . 17570 1 197 84 GLY . 17570 1 198 85 ASN . 17570 1 199 86 PRO . 17570 1 200 87 LEU . 17570 1 201 88 LEU . 17570 1 202 89 TRP . 17570 1 203 90 SER . 17570 1 204 91 ASP . 17570 1 205 92 ASP . 17570 1 206 93 LEU . 17570 1 207 94 ALA . 17570 1 208 95 ASP . 17570 1 209 96 GLN . 17570 1 210 97 SER . 17570 1 211 98 GLN . 17570 1 212 99 ILE . 17570 1 213 100 ASN . 17570 1 214 101 ALA . 17570 1 215 102 TRP . 17570 1 216 103 LEU . 17570 1 217 104 PHE . 17570 1 218 105 PHE . 17570 1 219 106 GLN . 17570 1 220 107 THR . 17570 1 221 108 SER . 17570 1 222 109 GLY . 17570 1 223 110 HIS . 17570 1 224 111 ALA . 17570 1 225 112 PRO . 17570 1 226 113 MET . 17570 1 227 114 ILE . 17570 1 228 115 GLY . 17570 1 229 116 GLN . 17570 1 230 117 ALA . 17570 1 231 118 LEU . 17570 1 232 119 HIS . 17570 1 233 120 PHE . 17570 1 234 121 ARG . 17570 1 235 122 TYR . 17570 1 236 123 PHE . 17570 1 237 124 HIS . 17570 1 238 125 SER . 17570 1 239 126 GLN . 17570 1 240 127 LYS . 17570 1 241 128 ILE . 17570 1 242 129 ALA . 17570 1 243 130 SER . 17570 1 244 131 ALA . 17570 1 245 132 VAL . 17570 1 246 133 GLU . 17570 1 247 134 ARG . 17570 1 248 135 TYR . 17570 1 249 136 THR . 17570 1 250 137 ASP . 17570 1 251 138 GLU . 17570 1 252 139 VAL . 17570 1 253 140 ARG . 17570 1 254 141 ARG . 17570 1 255 142 VAL . 17570 1 256 143 TYR . 17570 1 257 144 GLY . 17570 1 258 145 VAL . 17570 1 259 146 VAL . 17570 1 260 147 GLU . 17570 1 261 148 MET . 17570 1 262 149 ALA . 17570 1 263 150 LEU . 17570 1 264 151 ALA . 17570 1 265 152 GLU . 17570 1 266 153 ARG . 17570 1 267 154 ARG . 17570 1 268 155 GLU . 17570 1 269 156 ALA . 17570 1 270 157 LEU . 17570 1 271 158 VAL . 17570 1 272 159 MET . 17570 1 273 160 GLU . 17570 1 274 161 LEU . 17570 1 275 162 ASP . 17570 1 276 163 THR . 17570 1 277 164 GLU . 17570 1 278 165 ASN . 17570 1 279 166 ALA . 17570 1 280 167 ALA . 17570 1 281 168 ALA . 17570 1 282 169 TYR . 17570 1 283 170 SER . 17570 1 284 171 ALA . 17570 1 285 172 GLY . 17570 1 286 173 THR . 17570 1 287 174 THR . 17570 1 288 175 PRO . 17570 1 289 176 MET . 17570 1 290 177 SER . 17570 1 291 178 GLN . 17570 1 292 179 SER . 17570 1 293 180 ARG . 17570 1 294 181 PHE . 17570 1 295 182 PHE . 17570 1 296 183 ASP . 17570 1 297 184 TYR . 17570 1 298 185 PRO . 17570 1 299 186 VAL . 17570 1 300 187 TRP . 17570 1 301 188 LEU . 17570 1 302 189 VAL . 17570 1 303 190 GLY . 17570 1 304 191 ASP . 17570 1 305 192 LYS . 17570 1 306 193 LEU . 17570 1 307 194 THR . 17570 1 308 195 ILE . 17570 1 309 196 ALA . 17570 1 310 197 ASP . 17570 1 311 198 LEU . 17570 1 312 199 ALA . 17570 1 313 200 PHE . 17570 1 314 201 VAL . 17570 1 315 202 PRO . 17570 1 316 203 TRP . 17570 1 317 204 ASN . 17570 1 318 205 ASN . 17570 1 319 206 VAL . 17570 1 320 207 VAL . 17570 1 321 208 ASP . 17570 1 322 209 ARG . 17570 1 323 210 ILE . 17570 1 324 211 GLY . 17570 1 325 212 ILE . 17570 1 326 213 ASN . 17570 1 327 214 ILE . 17570 1 328 215 LYS . 17570 1 329 216 ILE . 17570 1 330 217 GLU . 17570 1 331 218 PHE . 17570 1 332 219 PRO . 17570 1 333 220 GLU . 17570 1 334 221 VAL . 17570 1 335 222 TYR . 17570 1 336 223 LYS . 17570 1 337 224 TRP . 17570 1 338 225 THR . 17570 1 339 226 LYS . 17570 1 340 227 HIS . 17570 1 341 228 MET . 17570 1 342 229 MET . 17570 1 343 230 ARG . 17570 1 344 231 ARG . 17570 1 345 232 PRO . 17570 1 346 233 ALA . 17570 1 347 234 VAL . 17570 1 348 235 ILE . 17570 1 349 236 LYS . 17570 1 350 237 ALA . 17570 1 351 238 LEU . 17570 1 352 239 ARG . 17570 1 353 240 GLY . 17570 1 354 241 GLU . 17570 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17570 1 . MET 2 2 17570 1 . ASN 3 3 17570 1 . ASN 4 4 17570 1 . ASN 5 5 17570 1 . GLY 6 6 17570 1 . ASN 7 7 17570 1 . GLN 8 8 17570 1 . VAL 9 9 17570 1 . SER 10 10 17570 1 . ASN 11 11 17570 1 . LEU 12 12 17570 1 . SER 13 13 17570 1 . ASN 14 14 17570 1 . ALA 15 15 17570 1 . LEU 16 16 17570 1 . ARG 17 17 17570 1 . GLN 18 18 17570 1 . VAL 19 19 17570 1 . ASN 20 20 17570 1 . ILE 21 21 17570 1 . GLY 22 22 17570 1 . ASN 23 23 17570 1 . ARG 24 24 17570 1 . ASN 25 25 17570 1 . SER 26 26 17570 1 . ASN 27 27 17570 1 . THR 28 28 17570 1 . THR 29 29 17570 1 . THR 30 30 17570 1 . ASP 31 31 17570 1 . GLN 32 32 17570 1 . SER 33 33 17570 1 . ASN 34 34 17570 1 . ILE 35 35 17570 1 . ASN 36 36 17570 1 . PHE 37 37 17570 1 . GLU 38 38 17570 1 . PHE 39 39 17570 1 . SER 40 40 17570 1 . THR 41 41 17570 1 . GLY 42 42 17570 1 . VAL 43 43 17570 1 . ASN 44 44 17570 1 . ASN 45 45 17570 1 . ASN 46 46 17570 1 . ASN 47 47 17570 1 . ASN 48 48 17570 1 . ASN 49 49 17570 1 . ASN 50 50 17570 1 . SER 51 51 17570 1 . SER 52 52 17570 1 . SER 53 53 17570 1 . ASN 54 54 17570 1 . ASN 55 55 17570 1 . ASN 56 56 17570 1 . ASN 57 57 17570 1 . VAL 58 58 17570 1 . GLN 59 59 17570 1 . ASN 60 60 17570 1 . ASN 61 61 17570 1 . ASN 62 62 17570 1 . SER 63 63 17570 1 . GLY 64 64 17570 1 . ARG 65 65 17570 1 . ASN 66 66 17570 1 . GLY 67 67 17570 1 . SER 68 68 17570 1 . GLN 69 69 17570 1 . ASN 70 70 17570 1 . ASN 71 71 17570 1 . ASP 72 72 17570 1 . ASN 73 73 17570 1 . GLU 74 74 17570 1 . ASN 75 75 17570 1 . ASN 76 76 17570 1 . ILE 77 77 17570 1 . LYS 78 78 17570 1 . ASN 79 79 17570 1 . THR 80 80 17570 1 . LEU 81 81 17570 1 . GLU 82 82 17570 1 . GLN 83 83 17570 1 . HIS 84 84 17570 1 . ARG 85 85 17570 1 . GLN 86 86 17570 1 . GLN 87 87 17570 1 . GLN 88 88 17570 1 . GLN 89 89 17570 1 . ALA 90 90 17570 1 . PHE 91 91 17570 1 . SER 92 92 17570 1 . ASP 93 93 17570 1 . MET 94 94 17570 1 . SER 95 95 17570 1 . HIS 96 96 17570 1 . VAL 97 97 17570 1 . GLU 98 98 17570 1 . TYR 99 99 17570 1 . SER 100 100 17570 1 . ARG 101 101 17570 1 . ILE 102 102 17570 1 . THR 103 103 17570 1 . LYS 104 104 17570 1 . PHE 105 105 17570 1 . PHE 106 106 17570 1 . GLN 107 107 17570 1 . GLU 108 108 17570 1 . GLN 109 109 17570 1 . PRO 110 110 17570 1 . LEU 111 111 17570 1 . GLU 112 112 17570 1 . GLY 113 113 17570 1 . TYR 114 114 17570 1 . THR 115 115 17570 1 . LEU 116 116 17570 1 . PHE 117 117 17570 1 . SER 118 118 17570 1 . HIS 119 119 17570 1 . ARG 120 120 17570 1 . SER 121 121 17570 1 . ALA 122 122 17570 1 . PRO 123 123 17570 1 . ASN 124 124 17570 1 . GLY 125 125 17570 1 . PHE 126 126 17570 1 . LYS 127 127 17570 1 . VAL 128 128 17570 1 . ALA 129 129 17570 1 . ILE 130 130 17570 1 . VAL 131 131 17570 1 . LEU 132 132 17570 1 . SER 133 133 17570 1 . GLU 134 134 17570 1 . LEU 135 135 17570 1 . GLY 136 136 17570 1 . PHE 137 137 17570 1 . HIS 138 138 17570 1 . TYR 139 139 17570 1 . ASN 140 140 17570 1 . THR 141 141 17570 1 . ILE 142 142 17570 1 . PHE 143 143 17570 1 . LEU 144 144 17570 1 . ASP 145 145 17570 1 . PHE 146 146 17570 1 . ASN 147 147 17570 1 . LEU 148 148 17570 1 . GLY 149 149 17570 1 . GLU 150 150 17570 1 . HIS 151 151 17570 1 . ARG 152 152 17570 1 . ALA 153 153 17570 1 . PRO 154 154 17570 1 . GLU 155 155 17570 1 . PHE 156 156 17570 1 . VAL 157 157 17570 1 . SER 158 158 17570 1 . VAL 159 159 17570 1 . ASN 160 160 17570 1 . PRO 161 161 17570 1 . ASN 162 162 17570 1 . ALA 163 163 17570 1 . ARG 164 164 17570 1 . VAL 165 165 17570 1 . PRO 166 166 17570 1 . ALA 167 167 17570 1 . LEU 168 168 17570 1 . ILE 169 169 17570 1 . ASP 170 170 17570 1 . HIS 171 171 17570 1 . GLY 172 172 17570 1 . MET 173 173 17570 1 . ASP 174 174 17570 1 . ASN 175 175 17570 1 . LEU 176 176 17570 1 . SER 177 177 17570 1 . ILE 178 178 17570 1 . TRP 179 179 17570 1 . GLU 180 180 17570 1 . SER 181 181 17570 1 . GLY 182 182 17570 1 . ALA 183 183 17570 1 . ILE 184 184 17570 1 . LEU 185 185 17570 1 . LEU 186 186 17570 1 . HIS 187 187 17570 1 . LEU 188 188 17570 1 . VAL 189 189 17570 1 . ASN 190 190 17570 1 . LYS 191 191 17570 1 . TYR 192 192 17570 1 . TYR 193 193 17570 1 . LYS 194 194 17570 1 . GLU 195 195 17570 1 . THR 196 196 17570 1 . GLY 197 197 17570 1 . ASN 198 198 17570 1 . PRO 199 199 17570 1 . LEU 200 200 17570 1 . LEU 201 201 17570 1 . TRP 202 202 17570 1 . SER 203 203 17570 1 . ASP 204 204 17570 1 . ASP 205 205 17570 1 . LEU 206 206 17570 1 . ALA 207 207 17570 1 . ASP 208 208 17570 1 . GLN 209 209 17570 1 . SER 210 210 17570 1 . GLN 211 211 17570 1 . ILE 212 212 17570 1 . ASN 213 213 17570 1 . ALA 214 214 17570 1 . TRP 215 215 17570 1 . LEU 216 216 17570 1 . PHE 217 217 17570 1 . PHE 218 218 17570 1 . GLN 219 219 17570 1 . THR 220 220 17570 1 . SER 221 221 17570 1 . GLY 222 222 17570 1 . HIS 223 223 17570 1 . ALA 224 224 17570 1 . PRO 225 225 17570 1 . MET 226 226 17570 1 . ILE 227 227 17570 1 . GLY 228 228 17570 1 . GLN 229 229 17570 1 . ALA 230 230 17570 1 . LEU 231 231 17570 1 . HIS 232 232 17570 1 . PHE 233 233 17570 1 . ARG 234 234 17570 1 . TYR 235 235 17570 1 . PHE 236 236 17570 1 . HIS 237 237 17570 1 . SER 238 238 17570 1 . GLN 239 239 17570 1 . LYS 240 240 17570 1 . ILE 241 241 17570 1 . ALA 242 242 17570 1 . SER 243 243 17570 1 . ALA 244 244 17570 1 . VAL 245 245 17570 1 . GLU 246 246 17570 1 . ARG 247 247 17570 1 . TYR 248 248 17570 1 . THR 249 249 17570 1 . ASP 250 250 17570 1 . GLU 251 251 17570 1 . VAL 252 252 17570 1 . ARG 253 253 17570 1 . ARG 254 254 17570 1 . VAL 255 255 17570 1 . TYR 256 256 17570 1 . GLY 257 257 17570 1 . VAL 258 258 17570 1 . VAL 259 259 17570 1 . GLU 260 260 17570 1 . MET 261 261 17570 1 . ALA 262 262 17570 1 . LEU 263 263 17570 1 . ALA 264 264 17570 1 . GLU 265 265 17570 1 . ARG 266 266 17570 1 . ARG 267 267 17570 1 . GLU 268 268 17570 1 . ALA 269 269 17570 1 . LEU 270 270 17570 1 . VAL 271 271 17570 1 . MET 272 272 17570 1 . GLU 273 273 17570 1 . LEU 274 274 17570 1 . ASP 275 275 17570 1 . THR 276 276 17570 1 . GLU 277 277 17570 1 . ASN 278 278 17570 1 . ALA 279 279 17570 1 . ALA 280 280 17570 1 . ALA 281 281 17570 1 . TYR 282 282 17570 1 . SER 283 283 17570 1 . ALA 284 284 17570 1 . GLY 285 285 17570 1 . THR 286 286 17570 1 . THR 287 287 17570 1 . PRO 288 288 17570 1 . MET 289 289 17570 1 . SER 290 290 17570 1 . GLN 291 291 17570 1 . SER 292 292 17570 1 . ARG 293 293 17570 1 . PHE 294 294 17570 1 . PHE 295 295 17570 1 . ASP 296 296 17570 1 . TYR 297 297 17570 1 . PRO 298 298 17570 1 . VAL 299 299 17570 1 . TRP 300 300 17570 1 . LEU 301 301 17570 1 . VAL 302 302 17570 1 . GLY 303 303 17570 1 . ASP 304 304 17570 1 . LYS 305 305 17570 1 . LEU 306 306 17570 1 . THR 307 307 17570 1 . ILE 308 308 17570 1 . ALA 309 309 17570 1 . ASP 310 310 17570 1 . LEU 311 311 17570 1 . ALA 312 312 17570 1 . PHE 313 313 17570 1 . VAL 314 314 17570 1 . PRO 315 315 17570 1 . TRP 316 316 17570 1 . ASN 317 317 17570 1 . ASN 318 318 17570 1 . VAL 319 319 17570 1 . VAL 320 320 17570 1 . ASP 321 321 17570 1 . ARG 322 322 17570 1 . ILE 323 323 17570 1 . GLY 324 324 17570 1 . ILE 325 325 17570 1 . ASN 326 326 17570 1 . ILE 327 327 17570 1 . LYS 328 328 17570 1 . ILE 329 329 17570 1 . GLU 330 330 17570 1 . PHE 331 331 17570 1 . PRO 332 332 17570 1 . GLU 333 333 17570 1 . VAL 334 334 17570 1 . TYR 335 335 17570 1 . LYS 336 336 17570 1 . TRP 337 337 17570 1 . THR 338 338 17570 1 . LYS 339 339 17570 1 . HIS 340 340 17570 1 . MET 341 341 17570 1 . MET 342 342 17570 1 . ARG 343 343 17570 1 . ARG 344 344 17570 1 . PRO 345 345 17570 1 . ALA 346 346 17570 1 . VAL 347 347 17570 1 . ILE 348 348 17570 1 . LYS 349 349 17570 1 . ALA 350 350 17570 1 . LEU 351 351 17570 1 . ARG 352 352 17570 1 . GLY 353 353 17570 1 . GLU 354 354 17570 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 17570 _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 $Ure2p . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Metazoa Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 17570 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 17570 _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 $Ure2p . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . 'pET 3A' . . . . . . 17570 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17570 _Sample.ID 1 _Sample.Type fiber _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% H2O' _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 Ure2p '[U-100% 13C; U-100% 15N]' . . 1 $Ure2p . . 10-30 . . mg . . . . 17570 1 2 KCl 'natural abundance' . . . . . . 75 . . mM . . . . 17570 1 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 17570 1 4 EGTA 'natural abundance' . . . . . . 1 . . mM . . . . 17570 1 5 dithiothreitol 'natural abundance' . . . . . . 1 . . mM . . . . 17570 1 6 DSS 'natural abundance' . . . . . . 0.5 . . mg . . . . 17570 1 7 H2O 'natural abundance' . . . . . . 100 . . % . . . . 17570 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 17570 _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 pH 7.5 . pH 17570 1 pressure 1 . atm 17570 1 temperature 273 . K 17570 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CCPNmr_Analysis _Software.Entry_ID 17570 _Software.ID 1 _Software.Name ANALYSIS _Software.Version 2.1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 17570 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17570 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17570 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17570 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17570 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 17570 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 17570 _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 . 850 . . . 17570 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 17570 _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 '3D NCACB (DREAM)' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17570 1 2 '3D CCC' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17570 1 3 '3D CAN(CO)CA' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17570 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 17570 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17570 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17570 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 17570 _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 '3D NCACB (DREAM)' . . . 17570 1 2 '3D CCC' . . . 17570 1 3 '3D CAN(CO)CA' . . . 17570 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 1 114 114 TYR CA C 13 57.354 0.15 . 1 . . . . 1 Tyr CA . 17570 1 2 . 1 1 114 114 TYR CB C 13 42.587 0.15 . 1 . . . . 1 Tyr CB . 17570 1 3 . 1 1 114 114 TYR N N 15 118.412 0.15 . 1 . . . . 1 Tyr N . 17570 1 4 . 1 1 115 115 THR CA C 13 63.488 0.15 . 1 . . . . 2 Thr CA . 17570 1 5 . 1 1 115 115 THR CB C 13 69.397 0.15 . 1 . . . . 2 Thr CB . 17570 1 6 . 1 1 115 115 THR N N 15 120.040 0.15 . 1 . . . . 2 Thr N . 17570 1 7 . 1 1 116 116 LEU CA C 13 52.836 0.107 . 1 . . . . 3 Leu CA . 17570 1 8 . 1 1 116 116 LEU CB C 13 44.725 0.078 . 1 . . . . 3 Leu CB . 17570 1 9 . 1 1 116 116 LEU CG C 13 27.638 0.067 . 1 . . . . 3 Leu CG . 17570 1 10 . 1 1 116 116 LEU CD1 C 13 25.285 0.15 . 2 . . . . 3 Leu CD1 . 17570 1 11 . 1 1 116 116 LEU CD2 C 13 23.080 0.15 . 2 . . . . 3 Leu CD2 . 17570 1 12 . 1 1 116 116 LEU N N 15 129.320 0.15 . 1 . . . . 3 Leu N . 17570 1 13 . 1 1 117 117 PHE CA C 13 57.428 0.055 . 1 . . . . 4 Phe CA . 17570 1 14 . 1 1 117 117 PHE CB C 13 40.057 0.163 . 1 . . . . 4 Phe CB . 17570 1 15 . 1 1 117 117 PHE CD1 C 13 131.180 0.15 . 3 . . . . 4 Phe CD1 . 17570 1 16 . 1 1 117 117 PHE CD2 C 13 131.180 0.15 . 3 . . . . 4 Phe CD2 . 17570 1 17 . 1 1 117 117 PHE N N 15 125.318 0.15 . 1 . . . . 4 Phe N . 17570 1 18 . 1 1 118 118 SER CA C 13 53.952 0.15 . 1 . . . . 5 Ser CA . 17570 1 19 . 1 1 118 118 SER CB C 13 64.582 0.028 . 1 . . . . 5 Ser CB . 17570 1 20 . 1 1 123 123 PRO CA C 13 65.302 0.15 . 1 . . . . 10 Pro CA . 17570 1 21 . 1 1 123 123 PRO CB C 13 31.651 0.15 . 1 . . . . 10 Pro CB . 17570 1 22 . 1 1 123 123 PRO CG C 13 27.720 0.041 . 1 . . . . 10 Pro CG . 17570 1 23 . 1 1 123 123 PRO CD C 13 50.521 0.15 . 1 . . . . 10 Pro CD . 17570 1 24 . 1 1 125 125 GLY CA C 13 47.175 0.003 . 1 . . . . 12 Gly CA . 17570 1 25 . 1 1 125 125 GLY N N 15 106.840 0.15 . 1 . . . . 12 Gly N . 17570 1 26 . 1 1 126 126 PHE CA C 13 56.853 0.15 . 1 . . . . 13 Phe CA . 17570 1 27 . 1 1 126 126 PHE CB C 13 40.053 0.15 . 1 . . . . 13 Phe CB . 17570 1 28 . 1 1 126 126 PHE N N 15 121.981 0.15 . 1 . . . . 13 Phe N . 17570 1 29 . 1 1 127 127 LYS CA C 13 59.746 0.007 . 1 . . . . 14 Lys CA . 17570 1 30 . 1 1 127 127 LYS CB C 13 32.775 0.047 . 1 . . . . 14 Lys CB . 17570 1 31 . 1 1 127 127 LYS CG C 13 24.604 0.15 . 1 . . . . 14 Lys CG . 17570 1 32 . 1 1 127 127 LYS CD C 13 29.738 0.15 . 1 . . . . 14 Lys CD . 17570 1 33 . 1 1 127 127 LYS N N 15 116.565 0.15 . 1 . . . . 14 Lys N . 17570 1 34 . 1 1 128 128 VAL CA C 13 66.101 0.103 . 1 . . . . 15 Val CA . 17570 1 35 . 1 1 128 128 VAL CB C 13 31.306 0.074 . 1 . . . . 15 Val CB . 17570 1 36 . 1 1 128 128 VAL CG1 C 13 22.509 0.15 . 2 . . . . 15 Val CG1 . 17570 1 37 . 1 1 128 128 VAL CG2 C 13 24.243 0.15 . 2 . . . . 15 Val CG2 . 17570 1 38 . 1 1 128 128 VAL N N 15 114.686 0.037 . 1 . . . . 15 Val N . 17570 1 39 . 1 1 129 129 ALA CA C 13 55.673 0.15 . 1 . . . . 16 Ala CA . 17570 1 40 . 1 1 129 129 ALA CB C 13 18.218 0.15 . 1 . . . . 16 Ala CB . 17570 1 41 . 1 1 129 129 ALA N N 15 122.089 0.15 . 1 . . . . 16 Ala N . 17570 1 42 . 1 1 130 130 ILE CA C 13 65.783 0.15 . 1 . . . . 17 Ile CA . 17570 1 43 . 1 1 130 130 ILE CB C 13 37.938 0.15 . 1 . . . . 17 Ile CB . 17570 1 44 . 1 1 130 130 ILE N N 15 117.082 0.15 . 1 . . . . 17 Ile N . 17570 1 45 . 1 1 131 131 VAL CA C 13 67.746 0.024 . 1 . . . . 18 Val CA . 17570 1 46 . 1 1 131 131 VAL CB C 13 31.260 0.010 . 1 . . . . 18 Val CB . 17570 1 47 . 1 1 131 131 VAL CG1 C 13 21.393 0.074 . 2 . . . . 18 Val CG1 . 17570 1 48 . 1 1 131 131 VAL CG2 C 13 22.894 0.167 . 2 . . . . 18 Val CG2 . 17570 1 49 . 1 1 131 131 VAL N N 15 119.178 0.192 . 1 . . . . 18 Val N . 17570 1 50 . 1 1 132 132 LEU CA C 13 59.064 0.042 . 1 . . . . 19 Leu CA . 17570 1 51 . 1 1 132 132 LEU CB C 13 42.849 0.087 . 1 . . . . 19 Leu CB . 17570 1 52 . 1 1 132 132 LEU CG C 13 25.579 0.060 . 1 . . . . 19 Leu CG . 17570 1 53 . 1 1 132 132 LEU N N 15 119.346 0.15 . 1 . . . . 19 Leu N . 17570 1 54 . 1 1 134 134 GLU CA C 13 59.447 0.052 . 1 . . . . 21 Glu CA . 17570 1 55 . 1 1 134 134 GLU CB C 13 31.048 0.002 . 1 . . . . 21 Glu CB . 17570 1 56 . 1 1 134 134 GLU CG C 13 35.432 0.15 . 1 . . . . 21 Glu CG . 17570 1 57 . 1 1 134 134 GLU N N 15 123.170 0.15 . 1 . . . . 21 Glu N . 17570 1 58 . 1 1 135 135 LEU CA C 13 54.911 0.086 . 1 . . . . 22 Leu CA . 17570 1 59 . 1 1 135 135 LEU CB C 13 40.761 0.028 . 1 . . . . 22 Leu CB . 17570 1 60 . 1 1 135 135 LEU CG C 13 27.727 0.15 . 1 . . . . 22 Leu CG . 17570 1 61 . 1 1 135 135 LEU CD2 C 13 25.868 0.055 . 1 . . . . 22 Leu CD2 . 17570 1 62 . 1 1 135 135 LEU N N 15 115.641 0.15 . 1 . . . . 22 Leu N . 17570 1 63 . 1 1 136 136 GLY CA C 13 45.798 0.009 . 1 . . . . 23 Gly CA . 17570 1 64 . 1 1 136 136 GLY N N 15 106.093 0.15 . 1 . . . . 23 Gly N . 17570 1 65 . 1 1 137 137 PHE CA C 13 54.455 0.15 . 1 . . . . 24 Phe CA . 17570 1 66 . 1 1 137 137 PHE CB C 13 39.204 0.15 . 1 . . . . 24 Phe CB . 17570 1 67 . 1 1 137 137 PHE N N 15 119.063 0.15 . 1 . . . . 24 Phe N . 17570 1 68 . 1 1 139 139 TYR CA C 13 54.972 0.15 . 1 . . . . 26 Tyr CA . 17570 1 69 . 1 1 139 139 TYR CB C 13 41.875 0.15 . 1 . . . . 26 Tyr CB . 17570 1 70 . 1 1 139 139 TYR N N 15 120.184 0.15 . 1 . . . . 26 Tyr N . 17570 1 71 . 1 1 140 140 ASN CA C 13 51.768 0.15 . 1 . . . . 27 Asn CA . 17570 1 72 . 1 1 140 140 ASN CB C 13 42.109 0.15 . 1 . . . . 27 Asn CB . 17570 1 73 . 1 1 140 140 ASN N N 15 117.306 0.15 . 1 . . . . 27 Asn N . 17570 1 74 . 1 1 141 141 THR CA C 13 61.663 0.15 . 1 . . . . 28 Thr CA . 17570 1 75 . 1 1 141 141 THR CB C 13 69.347 0.15 . 1 . . . . 28 Thr CB . 17570 1 76 . 1 1 141 141 THR N N 15 119.301 0.15 . 1 . . . . 28 Thr N . 17570 1 77 . 1 1 142 142 ILE CA C 13 60.092 0.104 . 1 . . . . 29 Ile CA . 17570 1 78 . 1 1 142 142 ILE CB C 13 38.336 0.087 . 1 . . . . 29 Ile CB . 17570 1 79 . 1 1 142 142 ILE CG1 C 13 26.929 0.15 . 1 . . . . 29 Ile CG1 . 17570 1 80 . 1 1 142 142 ILE N N 15 128.104 0.15 . 1 . . . . 29 Ile N . 17570 1 81 . 1 1 143 143 PHE CA C 13 56.783 0.15 . 1 . . . . 30 Phe CA . 17570 1 82 . 1 1 143 143 PHE CB C 13 37.768 0.15 . 1 . . . . 30 Phe CB . 17570 1 83 . 1 1 143 143 PHE N N 15 127.766 0.15 . 1 . . . . 30 Phe N . 17570 1 84 . 1 1 145 145 ASP CA C 13 55.379 0.129 . 1 . . . . 32 Asp CA . 17570 1 85 . 1 1 145 145 ASP CB C 13 36.811 0.092 . 1 . . . . 32 Asp CB . 17570 1 86 . 1 1 145 145 ASP CG C 13 178.398 0.15 . 1 . . . . 32 Asp CG . 17570 1 87 . 1 1 145 145 ASP N N 15 120.092 0.15 . 1 . . . . 32 Asp N . 17570 1 88 . 1 1 146 146 PHE CA C 13 54.493 0.15 . 1 . . . . 33 Phe CA . 17570 1 89 . 1 1 146 146 PHE CB C 13 38.983 0.15 . 1 . . . . 33 Phe CB . 17570 1 90 . 1 1 146 146 PHE N N 15 113.776 0.15 . 1 . . . . 33 Phe N . 17570 1 91 . 1 1 147 147 ASN CA C 13 54.712 0.15 . 1 . . . . 34 Asn CA . 17570 1 92 . 1 1 147 147 ASN CB C 13 36.804 0.15 . 1 . . . . 34 Asn CB . 17570 1 93 . 1 1 147 147 ASN N N 15 110.870 0.15 . 1 . . . . 34 Asn N . 17570 1 94 . 1 1 153 153 ALA CA C 13 50.280 0.038 . 1 . . . . 40 Ala CA . 17570 1 95 . 1 1 153 153 ALA CB C 13 17.555 0.15 . 1 . . . . 40 Ala CB . 17570 1 96 . 1 1 157 157 VAL CA C 13 64.711 0.15 . 1 . . . . 44 Val CA . 17570 1 97 . 1 1 157 157 VAL CB C 13 31.350 0.15 . 1 . . . . 44 Val CB . 17570 1 98 . 1 1 157 157 VAL CG2 C 13 21.473 0.15 . 1 . . . . 44 Val CG2 . 17570 1 99 . 1 1 158 158 SER CA C 13 61.460 0.15 . 1 . . . . 45 Ser CA . 17570 1 100 . 1 1 158 158 SER CB C 13 63.171 0.15 . 1 . . . . 45 Ser CB . 17570 1 101 . 1 1 158 158 SER N N 15 111.625 0.15 . 1 . . . . 45 Ser N . 17570 1 102 . 1 1 163 163 ALA CA C 13 53.341 0.042 . 1 . . . . 50 Ala CA . 17570 1 103 . 1 1 163 163 ALA CB C 13 17.490 0.15 . 1 . . . . 50 Ala CB . 17570 1 104 . 1 1 164 164 ARG CA C 13 53.794 0.15 . 1 . . . . 51 Arg CA . 17570 1 105 . 1 1 164 164 ARG CB C 13 32.911 0.15 . 1 . . . . 51 Arg CB . 17570 1 106 . 1 1 164 164 ARG N N 15 113.236 0.15 . 1 . . . . 51 Arg N . 17570 1 107 . 1 1 165 165 VAL CA C 13 65.060 0.15 . 1 . . . . 52 Val CA . 17570 1 108 . 1 1 165 165 VAL CB C 13 30.975 0.15 . 1 . . . . 52 Val CB . 17570 1 109 . 1 1 165 165 VAL N N 15 107.633 0.15 . 1 . . . . 52 Val N . 17570 1 110 . 1 1 166 166 PRO CA C 13 61.575 0.15 . 1 . . . . 53 Pro CA . 17570 1 111 . 1 1 166 166 PRO CG C 13 23.858 0.15 . 1 . . . . 53 Pro CG . 17570 1 112 . 1 1 166 166 PRO CD C 13 50.203 0.15 . 1 . . . . 53 Pro CD . 17570 1 113 . 1 1 167 167 ALA CA C 13 51.807 0.15 . 1 . . . . 54 Ala CA . 17570 1 114 . 1 1 167 167 ALA CB C 13 22.266 0.15 . 1 . . . . 54 Ala CB . 17570 1 115 . 1 1 167 167 ALA N N 15 116.182 0.15 . 1 . . . . 54 Ala N . 17570 1 116 . 1 1 168 168 LEU CA C 13 52.617 0.166 . 1 . . . . 55 Leu CA . 17570 1 117 . 1 1 168 168 LEU CB C 13 47.768 0.093 . 1 . . . . 55 Leu CB . 17570 1 118 . 1 1 168 168 LEU CG C 13 27.264 0.15 . 1 . . . . 55 Leu CG . 17570 1 119 . 1 1 168 168 LEU CD2 C 13 26.638 0.042 . 1 . . . . 55 Leu CD2 . 17570 1 120 . 1 1 168 168 LEU N N 15 124.184 0.15 . 1 . . . . 55 Leu N . 17570 1 121 . 1 1 169 169 ILE CA C 13 59.194 0.128 . 1 . . . . 56 Ile CA . 17570 1 122 . 1 1 169 169 ILE CB C 13 42.326 0.001 . 1 . . . . 56 Ile CB . 17570 1 123 . 1 1 169 169 ILE CG1 C 13 25.832 0.15 . 1 . . . . 56 Ile CG1 . 17570 1 124 . 1 1 169 169 ILE N N 15 123.468 0.15 . 1 . . . . 56 Ile N . 17570 1 125 . 1 1 170 170 ASP C C 13 176.515 0.15 . 1 . . . . 57 Asp C . 17570 1 126 . 1 1 170 170 ASP CA C 13 51.761 0.196 . 1 . . . . 57 Asp CA . 17570 1 127 . 1 1 170 170 ASP CB C 13 41.007 0.089 . 1 . . . . 57 Asp CB . 17570 1 128 . 1 1 170 170 ASP CG C 13 179.243 0.099 . 1 . . . . 57 Asp CG . 17570 1 129 . 1 1 170 170 ASP N N 15 126.009 0.15 . 1 . . . . 57 Asp N . 17570 1 130 . 1 1 171 171 HIS CA C 13 59.354 0.008 . 1 . . . . 58 His CA . 17570 1 131 . 1 1 171 171 HIS CB C 13 27.833 0.110 . 1 . . . . 58 His CB . 17570 1 132 . 1 1 171 171 HIS CG C 13 129.513 0.15 . 1 . . . . 58 His CG . 17570 1 133 . 1 1 171 171 HIS CD2 C 13 127.986 0.15 . 1 . . . . 58 His CD2 . 17570 1 134 . 1 1 171 171 HIS N N 15 122.522 0.15 . 1 . . . . 58 His N . 17570 1 135 . 1 1 172 172 GLY CA C 13 46.038 0.029 . 1 . . . . 59 Gly CA . 17570 1 136 . 1 1 172 172 GLY N N 15 106.093 0.15 . 1 . . . . 59 Gly N . 17570 1 137 . 1 1 173 173 MET CA C 13 54.427 0.096 . 1 . . . . 60 Met CA . 17570 1 138 . 1 1 173 173 MET CB C 13 31.918 0.003 . 1 . . . . 60 Met CB . 17570 1 139 . 1 1 173 173 MET CG C 13 32.727 0.15 . 1 . . . . 60 Met CG . 17570 1 140 . 1 1 173 173 MET N N 15 122.104 0.15 . 1 . . . . 60 Met N . 17570 1 141 . 1 1 174 174 ASP CA C 13 55.263 0.15 . 1 . . . . 61 Asp CA . 17570 1 142 . 1 1 174 174 ASP CB C 13 39.095 0.15 . 1 . . . . 61 Asp CB . 17570 1 143 . 1 1 174 174 ASP N N 15 117.576 0.15 . 1 . . . . 61 Asp N . 17570 1 144 . 1 1 175 175 ASN CA C 13 54.571 0.053 . 1 . . . . 62 Asn CA . 17570 1 145 . 1 1 175 175 ASN CB C 13 36.290 0.077 . 1 . . . . 62 Asn CB . 17570 1 146 . 1 1 175 175 ASN CG C 13 178.048 0.15 . 1 . . . . 62 Asn CG . 17570 1 147 . 1 1 175 175 ASN N N 15 109.924 0.15 . 1 . . . . 62 Asn N . 17570 1 148 . 1 1 176 176 LEU CA C 13 55.732 0.067 . 1 . . . . 63 Leu CA . 17570 1 149 . 1 1 176 176 LEU CB C 13 44.161 0.050 . 1 . . . . 63 Leu CB . 17570 1 150 . 1 1 176 176 LEU CG C 13 26.940 0.032 . 1 . . . . 63 Leu CG . 17570 1 151 . 1 1 176 176 LEU CD2 C 13 22.789 0.15 . 1 . . . . 63 Leu CD2 . 17570 1 152 . 1 1 176 176 LEU N N 15 121.781 0.014 . 1 . . . . 63 Leu N . 17570 1 153 . 1 1 177 177 SER CA C 13 55.791 0.15 . 1 . . . . 64 Ser CA . 17570 1 154 . 1 1 177 177 SER CB C 13 64.588 0.15 . 1 . . . . 64 Ser CB . 17570 1 155 . 1 1 177 177 SER N N 15 121.074 0.15 . 1 . . . . 64 Ser N . 17570 1 156 . 1 1 178 178 ILE CA C 13 62.553 0.15 . 1 . . . . 65 Ile CA . 17570 1 157 . 1 1 178 178 ILE CB C 13 40.490 0.15 . 1 . . . . 65 Ile CB . 17570 1 158 . 1 1 178 178 ILE N N 15 124.374 0.15 . 1 . . . . 65 Ile N . 17570 1 159 . 1 1 182 182 GLY CA C 13 46.448 0.023 . 1 . . . . 69 Gly CA . 17570 1 160 . 1 1 182 182 GLY N N 15 110.731 0.15 . 1 . . . . 69 Gly N . 17570 1 161 . 1 1 183 183 ALA CA C 13 53.947 0.15 . 1 . . . . 70 Ala CA . 17570 1 162 . 1 1 183 183 ALA CB C 13 17.819 0.15 . 1 . . . . 70 Ala CB . 17570 1 163 . 1 1 183 183 ALA N N 15 120.152 0.15 . 1 . . . . 70 Ala N . 17570 1 164 . 1 1 184 184 ILE CA C 13 66.012 0.080 . 1 . . . . 71 Ile CA . 17570 1 165 . 1 1 184 184 ILE CB C 13 36.998 0.138 . 1 . . . . 71 Ile CB . 17570 1 166 . 1 1 184 184 ILE CG1 C 13 28.698 0.107 . 1 . . . . 71 Ile CG1 . 17570 1 167 . 1 1 184 184 ILE CG2 C 13 21.146 0.057 . 1 . . . . 71 Ile CG2 . 17570 1 168 . 1 1 184 184 ILE CD1 C 13 14.359 0.153 . 1 . . . . 71 Ile CD1 . 17570 1 169 . 1 1 184 184 ILE N N 15 120.101 0.15 . 1 . . . . 71 Ile N . 17570 1 170 . 1 1 185 185 LEU CA C 13 59.911 0.15 . 1 . . . . 72 Leu CA . 17570 1 171 . 1 1 185 185 LEU CB C 13 40.556 0.15 . 1 . . . . 72 Leu CB . 17570 1 172 . 1 1 185 185 LEU N N 15 119.088 0.15 . 1 . . . . 72 Leu N . 17570 1 173 . 1 1 186 186 LEU CA C 13 57.283 0.141 . 1 . . . . 73 Leu CA . 17570 1 174 . 1 1 186 186 LEU CB C 13 41.843 0.133 . 1 . . . . 73 Leu CB . 17570 1 175 . 1 1 186 186 LEU CG C 13 27.383 0.048 . 1 . . . . 73 Leu CG . 17570 1 176 . 1 1 186 186 LEU CD2 C 13 25.552 0.15 . 1 . . . . 73 Leu CD2 . 17570 1 177 . 1 1 186 186 LEU N N 15 114.427 0.15 . 1 . . . . 73 Leu N . 17570 1 178 . 1 1 187 187 HIS C C 13 176.422 0.15 . 1 . . . . 74 His C . 17570 1 179 . 1 1 187 187 HIS CA C 13 60.580 0.159 . 1 . . . . 74 His CA . 17570 1 180 . 1 1 187 187 HIS CB C 13 31.598 0.188 . 1 . . . . 74 His CB . 17570 1 181 . 1 1 187 187 HIS CG C 13 137.082 0.15 . 1 . . . . 74 His CG . 17570 1 182 . 1 1 187 187 HIS CD2 C 13 115.129 0.15 . 1 . . . . 74 His CD2 . 17570 1 183 . 1 1 187 187 HIS CE1 C 13 138.589 0.006 . 1 . . . . 74 His CE1 . 17570 1 184 . 1 1 187 187 HIS N N 15 122.252 0.15 . 1 . . . . 74 His N . 17570 1 185 . 1 1 188 188 LEU CA C 13 57.936 0.082 . 1 . . . . 75 Leu CA . 17570 1 186 . 1 1 188 188 LEU CB C 13 41.512 0.088 . 1 . . . . 75 Leu CB . 17570 1 187 . 1 1 188 188 LEU CG C 13 25.799 0.090 . 1 . . . . 75 Leu CG . 17570 1 188 . 1 1 188 188 LEU CD1 C 13 19.693 0.15 . 2 . . . . 75 Leu CD1 . 17570 1 189 . 1 1 188 188 LEU CD2 C 13 21.811 0.15 . 2 . . . . 75 Leu CD2 . 17570 1 190 . 1 1 188 188 LEU N N 15 115.549 0.15 . 1 . . . . 75 Leu N . 17570 1 191 . 1 1 189 189 VAL CA C 13 65.391 0.077 . 1 . . . . 76 Val CA . 17570 1 192 . 1 1 189 189 VAL CB C 13 30.707 0.086 . 1 . . . . 76 Val CB . 17570 1 193 . 1 1 189 189 VAL CG2 C 13 24.118 0.027 . 1 . . . . 76 Val CG2 . 17570 1 194 . 1 1 189 189 VAL N N 15 108.667 0.15 . 1 . . . . 76 Val N . 17570 1 195 . 1 1 190 190 ASN CA C 13 56.993 0.009 . 1 . . . . 77 Asn CA . 17570 1 196 . 1 1 190 190 ASN CB C 13 39.882 0.150 . 1 . . . . 77 Asn CB . 17570 1 197 . 1 1 190 190 ASN CG C 13 178.346 0.15 . 1 . . . . 77 Asn CG . 17570 1 198 . 1 1 190 190 ASN N N 15 121.035 0.15 . 1 . . . . 77 Asn N . 17570 1 199 . 1 1 191 191 LYS CA C 13 59.439 0.118 . 1 . . . . 78 Lys CA . 17570 1 200 . 1 1 191 191 LYS CB C 13 32.277 0.052 . 1 . . . . 78 Lys CB . 17570 1 201 . 1 1 191 191 LYS CG C 13 24.880 0.15 . 1 . . . . 78 Lys CG . 17570 1 202 . 1 1 191 191 LYS CD C 13 29.288 0.15 . 1 . . . . 78 Lys CD . 17570 1 203 . 1 1 191 191 LYS CE C 13 41.749 0.15 . 1 . . . . 78 Lys CE . 17570 1 204 . 1 1 191 191 LYS N N 15 119.548 0.15 . 1 . . . . 78 Lys N . 17570 1 205 . 1 1 195 195 GLU CA C 13 58.970 0.040 . 1 . . . . 82 Glu CA . 17570 1 206 . 1 1 195 195 GLU CB C 13 30.502 0.095 . 1 . . . . 82 Glu CB . 17570 1 207 . 1 1 195 195 GLU CG C 13 36.397 0.15 . 1 . . . . 82 Glu CG . 17570 1 208 . 1 1 195 195 GLU N N 15 119.593 0.15 . 1 . . . . 82 Glu N . 17570 1 209 . 1 1 196 196 THR CA C 13 62.602 0.131 . 1 . . . . 83 Thr CA . 17570 1 210 . 1 1 196 196 THR CB C 13 72.467 0.013 . 1 . . . . 83 Thr CB . 17570 1 211 . 1 1 196 196 THR CG2 C 13 19.613 0.15 . 1 . . . . 83 Thr CG2 . 17570 1 212 . 1 1 196 196 THR N N 15 105.496 0.15 . 1 . . . . 83 Thr N . 17570 1 213 . 1 1 197 197 GLY CA C 13 45.631 0.005 . 1 . . . . 84 Gly CA . 17570 1 214 . 1 1 197 197 GLY N N 15 112.446 0.15 . 1 . . . . 84 Gly N . 17570 1 215 . 1 1 198 198 ASN CA C 13 49.063 0.022 . 1 . . . . 85 Asn CA . 17570 1 216 . 1 1 198 198 ASN CB C 13 40.638 0.043 . 1 . . . . 85 Asn CB . 17570 1 217 . 1 1 198 198 ASN N N 15 119.739 0.15 . 1 . . . . 85 Asn N . 17570 1 218 . 1 1 199 199 PRO CA C 13 61.351 0.15 . 1 . . . . 86 Pro CA . 17570 1 219 . 1 1 199 199 PRO CB C 13 31.981 0.15 . 1 . . . . 86 Pro CB . 17570 1 220 . 1 1 199 199 PRO CG C 13 27.503 0.129 . 1 . . . . 86 Pro CG . 17570 1 221 . 1 1 199 199 PRO CD C 13 50.401 0.15 . 1 . . . . 86 Pro CD . 17570 1 222 . 1 1 200 200 LEU CA C 13 56.817 0.042 . 1 . . . . 87 Leu CA . 17570 1 223 . 1 1 200 200 LEU CB C 13 43.200 0.121 . 1 . . . . 87 Leu CB . 17570 1 224 . 1 1 200 200 LEU CG C 13 26.750 0.046 . 1 . . . . 87 Leu CG . 17570 1 225 . 1 1 200 200 LEU CD1 C 13 23.082 0.043 . 2 . . . . 87 Leu CD1 . 17570 1 226 . 1 1 200 200 LEU CD2 C 13 24.768 0.15 . 2 . . . . 87 Leu CD2 . 17570 1 227 . 1 1 200 200 LEU N N 15 129.523 0.15 . 1 . . . . 87 Leu N . 17570 1 228 . 1 1 201 201 LEU CA C 13 56.301 0.039 . 1 . . . . 88 Leu CA . 17570 1 229 . 1 1 201 201 LEU CB C 13 40.922 0.051 . 1 . . . . 88 Leu CB . 17570 1 230 . 1 1 201 201 LEU CG C 13 26.867 0.180 . 1 . . . . 88 Leu CG . 17570 1 231 . 1 1 201 201 LEU CD2 C 13 22.672 0.027 . 1 . . . . 88 Leu CD2 . 17570 1 232 . 1 1 201 201 LEU N N 15 114.805 0.15 . 1 . . . . 88 Leu N . 17570 1 233 . 1 1 202 202 TRP CA C 13 53.573 0.15 . 1 . . . . 89 Trp CA . 17570 1 234 . 1 1 202 202 TRP CB C 13 34.138 0.15 . 1 . . . . 89 Trp CB . 17570 1 235 . 1 1 202 202 TRP N N 15 122.643 0.15 . 1 . . . . 89 Trp N . 17570 1 236 . 1 1 203 203 SER CA C 13 57.664 0.15 . 1 . . . . 90 Ser CA . 17570 1 237 . 1 1 203 203 SER CB C 13 63.626 0.15 . 1 . . . . 90 Ser CB . 17570 1 238 . 1 1 203 203 SER N N 15 113.394 0.15 . 1 . . . . 90 Ser N . 17570 1 239 . 1 1 204 204 ASP CA C 13 53.044 0.174 . 1 . . . . 91 Asp CA . 17570 1 240 . 1 1 204 204 ASP CB C 13 40.294 0.163 . 1 . . . . 91 Asp CB . 17570 1 241 . 1 1 204 204 ASP CG C 13 180.076 0.15 . 1 . . . . 91 Asp CG . 17570 1 242 . 1 1 204 204 ASP N N 15 121.709 0.15 . 1 . . . . 91 Asp N . 17570 1 243 . 1 1 205 205 ASP CA C 13 52.981 0.15 . 1 . . . . 92 Asp CA . 17570 1 244 . 1 1 205 205 ASP CB C 13 44.012 0.15 . 1 . . . . 92 Asp CB . 17570 1 245 . 1 1 205 205 ASP N N 15 122.829 0.15 . 1 . . . . 92 Asp N . 17570 1 246 . 1 1 206 206 LEU CA C 13 58.506 0.026 . 1 . . . . 93 Leu CA . 17570 1 247 . 1 1 206 206 LEU CB C 13 41.964 0.017 . 1 . . . . 93 Leu CB . 17570 1 248 . 1 1 206 206 LEU CG C 13 27.131 0.133 . 1 . . . . 93 Leu CG . 17570 1 249 . 1 1 206 206 LEU N N 15 128.137 0.304 . 1 . . . . 93 Leu N . 17570 1 250 . 1 1 207 207 ALA CA C 13 55.804 0.15 . 1 . . . . 94 Ala CA . 17570 1 251 . 1 1 207 207 ALA CB C 13 18.597 0.15 . 1 . . . . 94 Ala CB . 17570 1 252 . 1 1 207 207 ALA N N 15 119.966 0.15 . 1 . . . . 94 Ala N . 17570 1 253 . 1 1 208 208 ASP CA C 13 57.354 0.15 . 1 . . . . 95 Asp CA . 17570 1 254 . 1 1 208 208 ASP CB C 13 39.726 0.15 . 1 . . . . 95 Asp CB . 17570 1 255 . 1 1 208 208 ASP N N 15 118.614 0.15 . 1 . . . . 95 Asp N . 17570 1 256 . 1 1 209 209 GLN CA C 13 59.960 0.039 . 1 . . . . 96 Gln CA . 17570 1 257 . 1 1 209 209 GLN CB C 13 27.295 0.128 . 1 . . . . 96 Gln CB . 17570 1 258 . 1 1 209 209 GLN CG C 13 32.934 0.023 . 1 . . . . 96 Gln CG . 17570 1 259 . 1 1 209 209 GLN N N 15 118.581 0.034 . 1 . . . . 96 Gln N . 17570 1 260 . 1 1 210 210 SER CA C 13 61.249 0.091 . 1 . . . . 97 Ser CA . 17570 1 261 . 1 1 210 210 SER CB C 13 62.852 0.015 . 1 . . . . 97 Ser CB . 17570 1 262 . 1 1 210 210 SER N N 15 116.864 0.15 . 1 . . . . 97 Ser N . 17570 1 263 . 1 1 211 211 GLN CA C 13 58.744 0.15 . 1 . . . . 98 Gln CA . 17570 1 264 . 1 1 211 211 GLN CB C 13 29.760 0.15 . 1 . . . . 98 Gln CB . 17570 1 265 . 1 1 211 211 GLN N N 15 121.808 0.15 . 1 . . . . 98 Gln N . 17570 1 266 . 1 1 212 212 ILE CA C 13 66.399 0.129 . 1 . . . . 99 Ile CA . 17570 1 267 . 1 1 212 212 ILE CB C 13 38.676 0.098 . 1 . . . . 99 Ile CB . 17570 1 268 . 1 1 212 212 ILE CG1 C 13 29.692 0.15 . 1 . . . . 99 Ile CG1 . 17570 1 269 . 1 1 212 212 ILE CG2 C 13 17.531 0.100 . 1 . . . . 99 Ile CG2 . 17570 1 270 . 1 1 212 212 ILE CD1 C 13 15.131 0.15 . 1 . . . . 99 Ile CD1 . 17570 1 271 . 1 1 212 212 ILE N N 15 120.642 0.15 . 1 . . . . 99 Ile N . 17570 1 272 . 1 1 213 213 ASN C C 13 174.189 0.15 . 1 . . . . 100 Asn C . 17570 1 273 . 1 1 213 213 ASN CA C 13 55.435 0.106 . 1 . . . . 100 Asn CA . 17570 1 274 . 1 1 213 213 ASN CB C 13 36.731 0.061 . 1 . . . . 100 Asn CB . 17570 1 275 . 1 1 213 213 ASN CG C 13 178.134 0.15 . 1 . . . . 100 Asn CG . 17570 1 276 . 1 1 213 213 ASN N N 15 117.060 0.15 . 1 . . . . 100 Asn N . 17570 1 277 . 1 1 214 214 ALA CA C 13 56.504 0.15 . 1 . . . . 101 Ala CA . 17570 1 278 . 1 1 214 214 ALA CB C 13 15.838 0.15 . 1 . . . . 101 Ala CB . 17570 1 279 . 1 1 214 214 ALA N N 15 126.237 0.15 . 1 . . . . 101 Ala N . 17570 1 280 . 1 1 215 215 TRP C C 13 177.883 0.15 . 1 . . . . 102 Trp C . 17570 1 281 . 1 1 215 215 TRP CA C 13 61.039 0.079 . 1 . . . . 102 Trp CA . 17570 1 282 . 1 1 215 215 TRP CB C 13 31.495 0.003 . 1 . . . . 102 Trp CB . 17570 1 283 . 1 1 215 215 TRP N N 15 116.169 0.15 . 1 . . . . 102 Trp N . 17570 1 284 . 1 1 216 216 LEU CA C 13 58.412 0.146 . 1 . . . . 103 Leu CA . 17570 1 285 . 1 1 216 216 LEU CB C 13 43.485 0.116 . 1 . . . . 103 Leu CB . 17570 1 286 . 1 1 216 216 LEU CG C 13 27.127 0.040 . 1 . . . . 103 Leu CG . 17570 1 287 . 1 1 216 216 LEU CD1 C 13 24.065 0.15 . 2 . . . . 103 Leu CD1 . 17570 1 288 . 1 1 216 216 LEU CD2 C 13 26.289 0.15 . 2 . . . . 103 Leu CD2 . 17570 1 289 . 1 1 216 216 LEU N N 15 121.441 0.15 . 1 . . . . 103 Leu N . 17570 1 290 . 1 1 222 222 GLY CA C 13 44.785 0.005 . 1 . . . . 109 Gly CA . 17570 1 291 . 1 1 222 222 GLY N N 15 110.135 0.15 . 1 . . . . 109 Gly N . 17570 1 292 . 1 1 223 223 HIS CA C 13 58.186 0.15 . 1 . . . . 110 His CA . 17570 1 293 . 1 1 223 223 HIS CB C 13 29.744 0.15 . 1 . . . . 110 His CB . 17570 1 294 . 1 1 223 223 HIS N N 15 120.157 0.15 . 1 . . . . 110 His N . 17570 1 295 . 1 1 224 224 ALA CA C 13 56.328 0.15 . 1 . . . . 111 Ala CA . 17570 1 296 . 1 1 224 224 ALA CB C 13 15.932 0.15 . 1 . . . . 111 Ala CB . 17570 1 297 . 1 1 224 224 ALA N N 15 121.183 0.15 . 1 . . . . 111 Ala N . 17570 1 298 . 1 1 225 225 PRO CA C 13 65.662 0.060 . 1 . . . . 112 Pro CA . 17570 1 299 . 1 1 225 225 PRO CB C 13 30.922 0.046 . 1 . . . . 112 Pro CB . 17570 1 300 . 1 1 225 225 PRO CG C 13 29.744 0.095 . 1 . . . . 112 Pro CG . 17570 1 301 . 1 1 225 225 PRO CD C 13 51.123 0.027 . 1 . . . . 112 Pro CD . 17570 1 302 . 1 1 226 226 MET CA C 13 56.951 0.185 . 1 . . . . 113 Met CA . 17570 1 303 . 1 1 226 226 MET CB C 13 33.218 0.004 . 1 . . . . 113 Met CB . 17570 1 304 . 1 1 226 226 MET CG C 13 34.479 0.15 . 1 . . . . 113 Met CG . 17570 1 305 . 1 1 226 226 MET N N 15 113.060 0.15 . 1 . . . . 113 Met N . 17570 1 306 . 1 1 227 227 ILE CA C 13 66.316 0.170 . 1 . . . . 114 Ile CA . 17570 1 307 . 1 1 227 227 ILE CB C 13 37.803 0.074 . 1 . . . . 114 Ile CB . 17570 1 308 . 1 1 227 227 ILE CG1 C 13 30.880 0.15 . 1 . . . . 114 Ile CG1 . 17570 1 309 . 1 1 227 227 ILE CG2 C 13 17.792 0.120 . 1 . . . . 114 Ile CG2 . 17570 1 310 . 1 1 227 227 ILE CD1 C 13 14.263 0.15 . 1 . . . . 114 Ile CD1 . 17570 1 311 . 1 1 227 227 ILE N N 15 121.441 0.15 . 1 . . . . 114 Ile N . 17570 1 312 . 1 1 228 228 GLY CA C 13 47.516 0.041 . 1 . . . . 115 Gly CA . 17570 1 313 . 1 1 228 228 GLY N N 15 104.289 0.15 . 1 . . . . 115 Gly N . 17570 1 314 . 1 1 229 229 GLN CA C 13 56.860 0.059 . 1 . . . . 116 Gln CA . 17570 1 315 . 1 1 229 229 GLN CB C 13 24.100 0.119 . 1 . . . . 116 Gln CB . 17570 1 316 . 1 1 229 229 GLN CG C 13 32.068 0.15 . 1 . . . . 116 Gln CG . 17570 1 317 . 1 1 229 229 GLN N N 15 119.819 0.15 . 1 . . . . 116 Gln N . 17570 1 318 . 1 1 230 230 ALA CA C 13 56.634 0.15 . 1 . . . . 117 Ala CA . 17570 1 319 . 1 1 230 230 ALA CB C 13 19.004 0.15 . 1 . . . . 117 Ala CB . 17570 1 320 . 1 1 230 230 ALA N N 15 122.156 0.15 . 1 . . . . 117 Ala N . 17570 1 321 . 1 1 231 231 LEU CA C 13 58.318 0.048 . 1 . . . . 118 Leu CA . 17570 1 322 . 1 1 231 231 LEU CB C 13 42.973 0.007 . 1 . . . . 118 Leu CB . 17570 1 323 . 1 1 231 231 LEU CG C 13 27.146 0.025 . 1 . . . . 118 Leu CG . 17570 1 324 . 1 1 231 231 LEU N N 15 116.400 0.163 . 1 . . . . 118 Leu N . 17570 1 325 . 1 1 232 232 HIS CA C 13 61.571 0.15 . 1 . . . . 119 His CA . 17570 1 326 . 1 1 232 232 HIS CB C 13 30.924 0.15 . 1 . . . . 119 His CB . 17570 1 327 . 1 1 232 232 HIS N N 15 117.115 0.15 . 1 . . . . 119 His N . 17570 1 328 . 1 1 238 238 SER CA C 13 60.975 0.049 . 1 . . . . 125 Ser CA . 17570 1 329 . 1 1 238 238 SER CB C 13 62.729 0.064 . 1 . . . . 125 Ser CB . 17570 1 330 . 1 1 238 238 SER N N 15 118.784 0.15 . 1 . . . . 125 Ser N . 17570 1 331 . 1 1 239 239 GLN CA C 13 54.258 0.15 . 1 . . . . 126 Gln CA . 17570 1 332 . 1 1 239 239 GLN CB C 13 32.478 0.15 . 1 . . . . 126 Gln CB . 17570 1 333 . 1 1 239 239 GLN N N 15 116.968 0.15 . 1 . . . . 126 Gln N . 17570 1 334 . 1 1 240 240 LYS CA C 13 56.006 0.035 . 1 . . . . 127 Lys CA . 17570 1 335 . 1 1 240 240 LYS CB C 13 31.557 0.047 . 1 . . . . 127 Lys CB . 17570 1 336 . 1 1 240 240 LYS CG C 13 24.368 0.15 . 1 . . . . 127 Lys CG . 17570 1 337 . 1 1 240 240 LYS CD C 13 28.904 0.15 . 1 . . . . 127 Lys CD . 17570 1 338 . 1 1 240 240 LYS N N 15 125.118 0.15 . 1 . . . . 127 Lys N . 17570 1 339 . 1 1 241 241 ILE CA C 13 59.716 0.036 . 1 . . . . 128 Ile CA . 17570 1 340 . 1 1 241 241 ILE CB C 13 38.099 0.101 . 1 . . . . 128 Ile CB . 17570 1 341 . 1 1 241 241 ILE CG1 C 13 26.226 0.15 . 1 . . . . 128 Ile CG1 . 17570 1 342 . 1 1 241 241 ILE CG2 C 13 19.268 0.040 . 1 . . . . 128 Ile CG2 . 17570 1 343 . 1 1 241 241 ILE CD1 C 13 14.739 0.15 . 1 . . . . 128 Ile CD1 . 17570 1 344 . 1 1 241 241 ILE N N 15 129.928 0.15 . 1 . . . . 128 Ile N . 17570 1 345 . 1 1 242 242 ALA CA C 13 56.356 0.15 . 1 . . . . 129 Ala CA . 17570 1 346 . 1 1 242 242 ALA CB C 13 18.093 0.15 . 1 . . . . 129 Ala CB . 17570 1 347 . 1 1 242 242 ALA N N 15 132.970 0.15 . 1 . . . . 129 Ala N . 17570 1 348 . 1 1 244 244 ALA CA C 13 54.923 0.15 . 1 . . . . 131 Ala CA . 17570 1 349 . 1 1 244 244 ALA CB C 13 17.359 0.15 . 1 . . . . 131 Ala CB . 17570 1 350 . 1 1 244 244 ALA N N 15 126.844 0.15 . 1 . . . . 131 Ala N . 17570 1 351 . 1 1 245 245 VAL CA C 13 68.251 0.126 . 1 . . . . 132 Val CA . 17570 1 352 . 1 1 245 245 VAL CB C 13 32.152 0.027 . 1 . . . . 132 Val CB . 17570 1 353 . 1 1 245 245 VAL CG1 C 13 22.808 0.15 . 2 . . . . 132 Val CG1 . 17570 1 354 . 1 1 245 245 VAL CG2 C 13 21.887 0.023 . 2 . . . . 132 Val CG2 . 17570 1 355 . 1 1 245 245 VAL N N 15 117.086 0.15 . 1 . . . . 132 Val N . 17570 1 356 . 1 1 246 246 GLU CA C 13 58.976 0.025 . 1 . . . . 133 Glu CA . 17570 1 357 . 1 1 246 246 GLU CB C 13 29.789 0.130 . 1 . . . . 133 Glu CB . 17570 1 358 . 1 1 246 246 GLU CD C 13 183.781 0.15 . 1 . . . . 133 Glu CD . 17570 1 359 . 1 1 246 246 GLU N N 15 118.670 0.15 . 1 . . . . 133 Glu N . 17570 1 360 . 1 1 247 247 ARG CA C 13 58.883 0.114 . 1 . . . . 134 Arg CA . 17570 1 361 . 1 1 247 247 ARG CB C 13 28.957 0.023 . 1 . . . . 134 Arg CB . 17570 1 362 . 1 1 247 247 ARG CG C 13 25.968 0.002 . 1 . . . . 134 Arg CG . 17570 1 363 . 1 1 247 247 ARG N N 15 117.521 0.15 . 1 . . . . 134 Arg N . 17570 1 364 . 1 1 248 248 TYR C C 13 179.159 0.15 . 1 . . . . 135 Tyr C . 17570 1 365 . 1 1 248 248 TYR CA C 13 63.441 0.142 . 1 . . . . 135 Tyr CA . 17570 1 366 . 1 1 248 248 TYR CB C 13 38.497 0.162 . 1 . . . . 135 Tyr CB . 17570 1 367 . 1 1 248 248 TYR CE2 C 13 119.954 0.15 . 3 . . . . 135 Tyr CE2 . 17570 1 368 . 1 1 248 248 TYR N N 15 114.719 0.15 . 1 . . . . 135 Tyr N . 17570 1 369 . 1 1 250 250 ASP C C 13 177.902 0.15 . 1 . . . . 137 Asp C . 17570 1 370 . 1 1 250 250 ASP CA C 13 57.573 0.042 . 1 . . . . 137 Asp CA . 17570 1 371 . 1 1 250 250 ASP CB C 13 39.679 0.028 . 1 . . . . 137 Asp CB . 17570 1 372 . 1 1 250 250 ASP CG C 13 179.573 0.15 . 1 . . . . 137 Asp CG . 17570 1 373 . 1 1 250 250 ASP N N 15 121.964 0.15 . 1 . . . . 137 Asp N . 17570 1 374 . 1 1 251 251 GLU CA C 13 57.950 0.097 . 1 . . . . 138 Glu CA . 17570 1 375 . 1 1 251 251 GLU CB C 13 29.668 0.091 . 1 . . . . 138 Glu CB . 17570 1 376 . 1 1 251 251 GLU CG C 13 34.661 0.15 . 1 . . . . 138 Glu CG . 17570 1 377 . 1 1 251 251 GLU CD C 13 180.637 0.15 . 1 . . . . 138 Glu CD . 17570 1 378 . 1 1 251 251 GLU N N 15 120.427 0.15 . 1 . . . . 138 Glu N . 17570 1 379 . 1 1 252 252 VAL CA C 13 67.734 0.037 . 1 . . . . 139 Val CA . 17570 1 380 . 1 1 252 252 VAL CB C 13 31.401 0.077 . 1 . . . . 139 Val CB . 17570 1 381 . 1 1 252 252 VAL CG1 C 13 21.485 0.047 . 2 . . . . 139 Val CG1 . 17570 1 382 . 1 1 252 252 VAL CG2 C 13 24.142 0.098 . 2 . . . . 139 Val CG2 . 17570 1 383 . 1 1 252 252 VAL N N 15 119.981 0.15 . 1 . . . . 139 Val N . 17570 1 384 . 1 1 253 253 ARG CA C 13 62.183 0.15 . 1 . . . . 140 Arg CA . 17570 1 385 . 1 1 253 253 ARG CB C 13 30.291 0.15 . 1 . . . . 140 Arg CB . 17570 1 386 . 1 1 253 253 ARG N N 15 118.602 0.15 . 1 . . . . 140 Arg N . 17570 1 387 . 1 1 254 254 ARG CA C 13 60.456 0.15 . 1 . . . . 141 Arg CA . 17570 1 388 . 1 1 254 254 ARG CB C 13 29.854 0.15 . 1 . . . . 141 Arg CB . 17570 1 389 . 1 1 254 254 ARG N N 15 123.834 0.15 . 1 . . . . 141 Arg N . 17570 1 390 . 1 1 256 256 TYR CA C 13 63.761 0.15 . 1 . . . . 143 Tyr CA . 17570 1 391 . 1 1 256 256 TYR CB C 13 35.639 0.15 . 1 . . . . 143 Tyr CB . 17570 1 392 . 1 1 256 256 TYR N N 15 118.411 0.15 . 1 . . . . 143 Tyr N . 17570 1 393 . 1 1 257 257 GLY CA C 13 47.504 0.003 . 1 . . . . 144 Gly CA . 17570 1 394 . 1 1 257 257 GLY N N 15 107.400 0.15 . 1 . . . . 144 Gly N . 17570 1 395 . 1 1 258 258 VAL CA C 13 66.504 0.018 . 1 . . . . 145 Val CA . 17570 1 396 . 1 1 258 258 VAL CB C 13 31.759 0.148 . 1 . . . . 145 Val CB . 17570 1 397 . 1 1 258 258 VAL CG1 C 13 21.116 0.031 . 2 . . . . 145 Val CG1 . 17570 1 398 . 1 1 258 258 VAL CG2 C 13 22.380 0.113 . 2 . . . . 145 Val CG2 . 17570 1 399 . 1 1 258 258 VAL N N 15 123.333 0.15 . 1 . . . . 145 Val N . 17570 1 400 . 1 1 259 259 VAL CA C 13 66.631 0.136 . 1 . . . . 146 Val CA . 17570 1 401 . 1 1 259 259 VAL CB C 13 31.842 0.034 . 1 . . . . 146 Val CB . 17570 1 402 . 1 1 259 259 VAL CG2 C 13 22.460 0.028 . 1 . . . . 146 Val CG2 . 17570 1 403 . 1 1 259 259 VAL N N 15 120.403 0.15 . 1 . . . . 146 Val N . 17570 1 404 . 1 1 260 260 GLU CA C 13 59.675 0.15 . 1 . . . . 147 Glu CA . 17570 1 405 . 1 1 260 260 GLU CB C 13 30.093 0.15 . 1 . . . . 147 Glu CB . 17570 1 406 . 1 1 260 260 GLU N N 15 120.258 0.15 . 1 . . . . 147 Glu N . 17570 1 407 . 1 1 261 261 MET CA C 13 58.535 0.15 . 1 . . . . 148 Met CA . 17570 1 408 . 1 1 261 261 MET CB C 13 32.453 0.15 . 1 . . . . 148 Met CB . 17570 1 409 . 1 1 261 261 MET N N 15 116.304 0.15 . 1 . . . . 148 Met N . 17570 1 410 . 1 1 262 262 ALA CA C 13 55.183 0.15 . 1 . . . . 149 Ala CA . 17570 1 411 . 1 1 262 262 ALA CB C 13 18.466 0.15 . 1 . . . . 149 Ala CB . 17570 1 412 . 1 1 262 262 ALA N N 15 123.373 0.15 . 1 . . . . 149 Ala N . 17570 1 413 . 1 1 263 263 LEU CA C 13 57.845 0.040 . 1 . . . . 150 Leu CA . 17570 1 414 . 1 1 263 263 LEU CB C 13 41.851 0.107 . 1 . . . . 150 Leu CB . 17570 1 415 . 1 1 263 263 LEU CG C 13 25.784 0.010 . 1 . . . . 150 Leu CG . 17570 1 416 . 1 1 263 263 LEU N N 15 119.561 0.15 . 1 . . . . 150 Leu N . 17570 1 417 . 1 1 264 264 ALA CA C 13 55.476 0.15 . 1 . . . . 151 Ala CA . 17570 1 418 . 1 1 264 264 ALA CB C 13 18.239 0.15 . 1 . . . . 151 Ala CB . 17570 1 419 . 1 1 264 264 ALA N N 15 121.278 0.15 . 1 . . . . 151 Ala N . 17570 1 420 . 1 1 265 265 GLU CA C 13 59.365 0.062 . 1 . . . . 152 Glu CA . 17570 1 421 . 1 1 265 265 GLU CB C 13 29.435 0.039 . 1 . . . . 152 Glu CB . 17570 1 422 . 1 1 265 265 GLU CG C 13 36.438 0.15 . 1 . . . . 152 Glu CG . 17570 1 423 . 1 1 265 265 GLU CD C 13 183.618 0.15 . 1 . . . . 152 Glu CD . 17570 1 424 . 1 1 265 265 GLU N N 15 119.346 0.15 . 1 . . . . 152 Glu N . 17570 1 425 . 1 1 266 266 ARG CA C 13 58.365 0.100 . 1 . . . . 153 Arg CA . 17570 1 426 . 1 1 266 266 ARG CB C 13 28.724 0.059 . 1 . . . . 153 Arg CB . 17570 1 427 . 1 1 266 266 ARG CG C 13 26.796 0.15 . 1 . . . . 153 Arg CG . 17570 1 428 . 1 1 266 266 ARG CD C 13 42.985 0.15 . 1 . . . . 153 Arg CD . 17570 1 429 . 1 1 266 266 ARG N N 15 120.224 0.15 . 1 . . . . 153 Arg N . 17570 1 430 . 1 1 267 267 ARG CA C 13 58.219 0.063 . 1 . . . . 154 Arg CA . 17570 1 431 . 1 1 267 267 ARG CB C 13 28.636 0.065 . 1 . . . . 154 Arg CB . 17570 1 432 . 1 1 267 267 ARG CG C 13 26.038 0.145 . 1 . . . . 154 Arg CG . 17570 1 433 . 1 1 267 267 ARG CD C 13 42.114 0.019 . 1 . . . . 154 Arg CD . 17570 1 434 . 1 1 267 267 ARG N N 15 120.190 0.034 . 1 . . . . 154 Arg N . 17570 1 435 . 1 1 268 268 GLU CA C 13 59.698 0.060 . 1 . . . . 155 Glu CA . 17570 1 436 . 1 1 268 268 GLU CB C 13 29.274 0.055 . 1 . . . . 155 Glu CB . 17570 1 437 . 1 1 268 268 GLU CD C 13 183.395 0.15 . 1 . . . . 155 Glu CD . 17570 1 438 . 1 1 268 268 GLU N N 15 118.872 0.15 . 1 . . . . 155 Glu N . 17570 1 439 . 1 1 269 269 ALA CA C 13 54.886 0.15 . 1 . . . . 156 Ala CA . 17570 1 440 . 1 1 269 269 ALA CB C 13 18.269 0.15 . 1 . . . . 156 Ala CB . 17570 1 441 . 1 1 269 269 ALA N N 15 117.939 0.15 . 1 . . . . 156 Ala N . 17570 1 442 . 1 1 270 270 LEU CA C 13 58.418 0.053 . 1 . . . . 157 Leu CA . 17570 1 443 . 1 1 270 270 LEU CB C 13 42.229 0.050 . 1 . . . . 157 Leu CB . 17570 1 444 . 1 1 270 270 LEU CG C 13 26.796 0.15 . 1 . . . . 157 Leu CG . 17570 1 445 . 1 1 270 270 LEU CD2 C 13 25.608 0.062 . 1 . . . . 157 Leu CD2 . 17570 1 446 . 1 1 270 270 LEU N N 15 120.233 0.035 . 1 . . . . 157 Leu N . 17570 1 447 . 1 1 271 271 VAL CA C 13 67.318 0.046 . 1 . . . . 158 Val CA . 17570 1 448 . 1 1 271 271 VAL CB C 13 31.719 0.077 . 1 . . . . 158 Val CB . 17570 1 449 . 1 1 271 271 VAL CG2 C 13 22.659 0.15 . 1 . . . . 158 Val CG2 . 17570 1 450 . 1 1 271 271 VAL N N 15 119.371 0.15 . 1 . . . . 158 Val N . 17570 1 451 . 1 1 275 275 ASP CA C 13 50.811 0.15 . 1 . . . . 162 Asp CA . 17570 1 452 . 1 1 275 275 ASP CB C 13 38.462 0.15 . 1 . . . . 162 Asp CB . 17570 1 453 . 1 1 275 275 ASP N N 15 129.320 0.15 . 1 . . . . 162 Asp N . 17570 1 454 . 1 1 276 276 THR CA C 13 63.306 0.027 . 1 . . . . 163 Thr CA . 17570 1 455 . 1 1 276 276 THR CB C 13 68.813 0.023 . 1 . . . . 163 Thr CB . 17570 1 456 . 1 1 276 276 THR CG2 C 13 22.133 0.15 . 1 . . . . 163 Thr CG2 . 17570 1 457 . 1 1 276 276 THR N N 15 112.064 0.15 . 1 . . . . 163 Thr N . 17570 1 458 . 1 1 277 277 GLU CA C 13 55.223 0.127 . 1 . . . . 164 Glu CA . 17570 1 459 . 1 1 277 277 GLU CG C 13 39.107 0.012 . 1 . . . . 164 Glu CB . 17570 1 460 . 1 1 277 277 GLU CD C 13 181.879 0.15 . 1 . . . . 164 Glu CD . 17570 1 461 . 1 1 277 277 GLU N N 15 117.171 0.15 . 1 . . . . 164 Glu N . 17570 1 462 . 1 1 283 283 SER CA C 13 57.309 0.15 . 1 . . . . 170 Ser CA . 17570 1 463 . 1 1 283 283 SER CB C 13 63.981 0.15 . 1 . . . . 170 Ser CB . 17570 1 464 . 1 1 283 283 SER N N 15 111.477 0.15 . 1 . . . . 170 Ser N . 17570 1 465 . 1 1 284 284 ALA CA C 13 52.944 0.15 . 1 . . . . 171 Ala CA . 17570 1 466 . 1 1 284 284 ALA CB C 13 19.532 0.15 . 1 . . . . 171 Ala CB . 17570 1 467 . 1 1 284 284 ALA N N 15 120.940 0.15 . 1 . . . . 171 Ala N . 17570 1 468 . 1 1 285 285 GLY CA C 13 45.595 0.016 . 1 . . . . 172 Gly CA . 17570 1 469 . 1 1 285 285 GLY N N 15 105.098 0.15 . 1 . . . . 172 Gly N . 17570 1 470 . 1 1 286 286 THR CA C 13 65.257 0.15 . 1 . . . . 173 Thr CA . 17570 1 471 . 1 1 286 286 THR CB C 13 68.587 0.15 . 1 . . . . 173 Thr CB . 17570 1 472 . 1 1 286 286 THR N N 15 112.729 0.15 . 1 . . . . 173 Thr N . 17570 1 473 . 1 1 287 287 THR CA C 13 59.688 0.15 . 1 . . . . 174 Thr CA . 17570 1 474 . 1 1 287 287 THR CB C 13 72.927 0.013 . 1 . . . . 174 Thr CB . 17570 1 475 . 1 1 287 287 THR CG2 C 13 21.975 0.15 . 1 . . . . 174 Thr CG2 . 17570 1 476 . 1 1 287 287 THR N N 15 117.160 0.15 . 1 . . . . 174 Thr N . 17570 1 477 . 1 1 288 288 PRO CA C 13 62.462 0.044 . 1 . . . . 175 Pro CA . 17570 1 478 . 1 1 288 288 PRO CB C 13 32.049 0.112 . 1 . . . . 175 Pro CB . 17570 1 479 . 1 1 288 288 PRO CG C 13 27.158 0.026 . 1 . . . . 175 Pro CG . 17570 1 480 . 1 1 288 288 PRO CD C 13 51.338 0.011 . 1 . . . . 175 Pro CD . 17570 1 481 . 1 1 289 289 MET CA C 13 56.541 0.005 . 1 . . . . 176 Met CA . 17570 1 482 . 1 1 289 289 MET CB C 13 30.469 0.040 . 1 . . . . 176 Met CB . 17570 1 483 . 1 1 289 289 MET CG C 13 32.724 0.15 . 1 . . . . 176 Met CG . 17570 1 484 . 1 1 289 289 MET N N 15 113.533 0.15 . 1 . . . . 176 Met N . 17570 1 485 . 1 1 290 290 SER CA C 13 61.410 0.15 . 1 . . . . 177 Ser CA . 17570 1 486 . 1 1 290 290 SER CB C 13 62.968 0.15 . 1 . . . . 177 Ser CB . 17570 1 487 . 1 1 290 290 SER N N 15 116.200 0.15 . 1 . . . . 177 Ser N . 17570 1 488 . 1 1 291 291 GLN CA C 13 59.709 0.039 . 1 . . . . 178 Gln CA . 17570 1 489 . 1 1 291 291 GLN CB C 13 27.140 0.060 . 1 . . . . 178 Gln CB . 17570 1 490 . 1 1 291 291 GLN CG C 13 32.864 0.15 . 1 . . . . 178 Gln CG . 17570 1 491 . 1 1 291 291 GLN N N 15 117.871 0.15 . 1 . . . . 178 Gln N . 17570 1 492 . 1 1 292 292 SER C C 13 175.897 0.15 . 1 . . . . 179 Ser C . 17570 1 493 . 1 1 292 292 SER CA C 13 61.623 0.030 . 1 . . . . 179 Ser CA . 17570 1 494 . 1 1 292 292 SER CB C 13 63.104 0.062 . 1 . . . . 179 Ser CB . 17570 1 495 . 1 1 293 293 ARG CA C 13 57.814 0.15 . 1 . . . . 180 Arg CA . 17570 1 496 . 1 1 293 293 ARG CB C 13 30.662 0.15 . 1 . . . . 180 Arg CB . 17570 1 497 . 1 1 293 293 ARG N N 15 119.210 0.15 . 1 . . . . 180 Arg N . 17570 1 498 . 1 1 298 298 PRO CA C 13 65.273 0.15 . 1 . . . . 185 Pro CA . 17570 1 499 . 1 1 298 298 PRO CB C 13 30.137 0.15 . 1 . . . . 185 Pro CB . 17570 1 500 . 1 1 298 298 PRO CG C 13 26.961 0.089 . 1 . . . . 185 Pro CG . 17570 1 501 . 1 1 298 298 PRO CD C 13 50.884 0.15 . 1 . . . . 185 Pro CD . 17570 1 502 . 1 1 299 299 VAL CA C 13 59.706 0.193 . 1 . . . . 186 Val CA . 17570 1 503 . 1 1 299 299 VAL CB C 13 33.596 0.099 . 1 . . . . 186 Val CB . 17570 1 504 . 1 1 299 299 VAL CG2 C 13 24.417 0.15 . 1 . . . . 186 Val CG2 . 17570 1 505 . 1 1 299 299 VAL N N 15 117.156 0.15 . 1 . . . . 186 Val N . 17570 1 506 . 1 1 300 300 TRP CA C 13 53.544 0.108 . 1 . . . . 187 Trp CA . 17570 1 507 . 1 1 300 300 TRP CB C 13 35.071 0.090 . 1 . . . . 187 Trp CB . 17570 1 508 . 1 1 300 300 TRP CG C 13 112.595 0.060 . 1 . . . . 187 Trp CG . 17570 1 509 . 1 1 300 300 TRP N N 15 120.963 0.15 . 1 . . . . 187 Trp N . 17570 1 510 . 1 1 301 301 LEU CA C 13 59.308 0.100 . 1 . . . . 188 Leu CA . 17570 1 511 . 1 1 301 301 LEU CB C 13 42.432 0.058 . 1 . . . . 188 Leu CB . 17570 1 512 . 1 1 301 301 LEU CG C 13 26.016 0.060 . 1 . . . . 188 Leu CG . 17570 1 513 . 1 1 301 301 LEU CD2 C 13 19.631 0.15 . 1 . . . . 188 Leu CD2 . 17570 1 514 . 1 1 301 301 LEU N N 15 122.995 0.15 . 1 . . . . 188 Leu N . 17570 1 515 . 1 1 302 302 VAL CA C 13 61.814 0.032 . 1 . . . . 189 Val CA . 17570 1 516 . 1 1 302 302 VAL CB C 13 34.783 0.070 . 1 . . . . 189 Val CB . 17570 1 517 . 1 1 302 302 VAL CG2 C 13 21.174 0.006 . 1 . . . . 189 Val CG2 . 17570 1 518 . 1 1 302 302 VAL N N 15 119.493 0.15 . 1 . . . . 189 Val N . 17570 1 519 . 1 1 303 303 GLY CA C 13 46.336 0.023 . 1 . . . . 190 Gly CA . 17570 1 520 . 1 1 303 303 GLY N N 15 112.446 0.15 . 1 . . . . 190 Gly N . 17570 1 521 . 1 1 305 305 LYS CA C 13 54.603 0.15 . 1 . . . . 192 Lys CA . 17570 1 522 . 1 1 305 305 LYS CB C 13 36.653 0.15 . 1 . . . . 192 Lys CB . 17570 1 523 . 1 1 305 305 LYS N N 15 116.234 0.15 . 1 . . . . 192 Lys N . 17570 1 524 . 1 1 306 306 LEU CA C 13 55.170 0.15 . 1 . . . . 193 Leu CA . 17570 1 525 . 1 1 306 306 LEU CB C 13 40.872 0.011 . 1 . . . . 193 Leu CB . 17570 1 526 . 1 1 306 306 LEU CG C 13 25.840 0.15 . 1 . . . . 193 Leu CG . 17570 1 527 . 1 1 306 306 LEU N N 15 115.398 0.15 . 1 . . . . 193 Leu N . 17570 1 528 . 1 1 307 307 THR CA C 13 60.411 0.078 . 1 . . . . 194 Thr CA . 17570 1 529 . 1 1 307 307 THR CB C 13 76.363 0.051 . 1 . . . . 194 Thr CB . 17570 1 530 . 1 1 307 307 THR CG2 C 13 21.412 0.038 . 1 . . . . 194 Thr CG2 . 17570 1 531 . 1 1 307 307 THR N N 15 115.205 0.261 . 1 . . . . 194 Thr N . 17570 1 532 . 1 1 308 308 ILE CA C 13 65.980 0.042 . 1 . . . . 195 Ile CA . 17570 1 533 . 1 1 308 308 ILE CB C 13 38.901 0.130 . 1 . . . . 195 Ile CB . 17570 1 534 . 1 1 308 308 ILE CG1 C 13 25.161 0.15 . 1 . . . . 195 Ile CG1 . 17570 1 535 . 1 1 308 308 ILE CG2 C 13 21.580 0.141 . 1 . . . . 195 Ile CG2 . 17570 1 536 . 1 1 308 308 ILE CD1 C 13 15.454 0.060 . 1 . . . . 195 Ile CD1 . 17570 1 537 . 1 1 308 308 ILE N N 15 110.477 0.037 . 1 . . . . 195 Ile N . 17570 1 538 . 1 1 309 309 ALA CA C 13 55.389 0.15 . 1 . . . . 196 Ala CA . 17570 1 539 . 1 1 309 309 ALA CB C 13 19.361 0.15 . 1 . . . . 196 Ala CB . 17570 1 540 . 1 1 309 309 ALA N N 15 119.994 0.15 . 1 . . . . 196 Ala N . 17570 1 541 . 1 1 310 310 ASP C C 13 178.434 0.15 . 1 . . . . 197 Asp C . 17570 1 542 . 1 1 310 310 ASP CA C 13 57.131 0.112 . 1 . . . . 197 Asp CA . 17570 1 543 . 1 1 310 310 ASP CB C 13 43.884 0.002 . 1 . . . . 197 Asp CB . 17570 1 544 . 1 1 310 310 ASP CG C 13 179.685 0.15 . 1 . . . . 197 Asp CG . 17570 1 545 . 1 1 310 310 ASP N N 15 111.776 0.15 . 1 . . . . 197 Asp N . 17570 1 546 . 1 1 311 311 LEU CA C 13 56.904 0.048 . 1 . . . . 198 Leu CA . 17570 1 547 . 1 1 311 311 LEU CB C 13 42.329 0.121 . 1 . . . . 198 Leu CB . 17570 1 548 . 1 1 311 311 LEU CG C 13 26.179 0.067 . 1 . . . . 198 Leu CG . 17570 1 549 . 1 1 311 311 LEU CD2 C 13 21.703 0.014 . 1 . . . . 198 Leu CD2 . 17570 1 550 . 1 1 311 311 LEU N N 15 112.881 0.041 . 1 . . . . 198 Leu N . 17570 1 551 . 1 1 312 312 ALA CA C 13 54.646 0.15 . 1 . . . . 199 Ala CA . 17570 1 552 . 1 1 312 312 ALA CB C 13 18.051 0.15 . 1 . . . . 199 Ala CB . 17570 1 553 . 1 1 312 312 ALA N N 15 117.263 0.15 . 1 . . . . 199 Ala N . 17570 1 554 . 1 1 313 313 PHE CA C 13 60.762 0.15 . 1 . . . . 200 Phe CA . 17570 1 555 . 1 1 313 313 PHE CB C 13 40.604 0.15 . 1 . . . . 200 Phe CB . 17570 1 556 . 1 1 313 313 PHE N N 15 106.342 0.15 . 1 . . . . 200 Phe N . 17570 1 557 . 1 1 314 314 VAL CA C 13 69.243 0.127 . 1 . . . . 201 Val CA . 17570 1 558 . 1 1 314 314 VAL CB C 13 30.259 0.017 . 1 . . . . 201 Val CB . 17570 1 559 . 1 1 314 314 VAL CG2 C 13 26.298 0.15 . 1 . . . . 201 Val CG2 . 17570 1 560 . 1 1 314 314 VAL N N 15 117.894 0.15 . 1 . . . . 201 Val N . 17570 1 561 . 1 1 316 316 TRP CA C 13 58.921 0.029 . 1 . . . . 203 Trp CA . 17570 1 562 . 1 1 316 316 TRP CB C 13 30.668 0.115 . 1 . . . . 203 Trp CB . 17570 1 563 . 1 1 316 316 TRP CG C 13 111.919 0.030 . 1 . . . . 203 Trp CG . 17570 1 564 . 1 1 316 316 TRP N N 15 115.493 0.15 . 1 . . . . 203 Trp N . 17570 1 565 . 1 1 319 319 VAL CA C 13 61.320 0.085 . 1 . . . . 206 Val CA . 17570 1 566 . 1 1 319 319 VAL CB C 13 33.379 0.036 . 1 . . . . 206 Val CB . 17570 1 567 . 1 1 319 319 VAL CG1 C 13 20.039 0.15 . 2 . . . . 206 Val CG1 . 17570 1 568 . 1 1 319 319 VAL CG2 C 13 20.932 0.15 . 2 . . . . 206 Val CG2 . 17570 1 569 . 1 1 319 319 VAL N N 15 110.044 0.15 . 1 . . . . 206 Val N . 17570 1 570 . 1 1 320 320 VAL CA C 13 65.678 0.037 . 1 . . . . 207 Val CA . 17570 1 571 . 1 1 320 320 VAL CB C 13 31.599 0.052 . 1 . . . . 207 Val CB . 17570 1 572 . 1 1 320 320 VAL CG1 C 13 22.976 0.15 . 2 . . . . 207 Val CG1 . 17570 1 573 . 1 1 320 320 VAL CG2 C 13 18.848 0.15 . 2 . . . . 207 Val CG2 . 17570 1 574 . 1 1 320 320 VAL N N 15 111.843 0.15 . 1 . . . . 207 Val N . 17570 1 575 . 1 1 321 321 ASP CA C 13 56.569 0.098 . 1 . . . . 208 Asp CA . 17570 1 576 . 1 1 321 321 ASP CB C 13 38.618 0.081 . 1 . . . . 208 Asp CB . 17570 1 577 . 1 1 321 321 ASP CG C 13 179.950 0.15 . 1 . . . . 208 Asp CG . 17570 1 578 . 1 1 321 321 ASP N N 15 123.631 0.15 . 1 . . . . 208 Asp N . 17570 1 579 . 1 1 322 322 ARG CA C 13 57.640 0.141 . 1 . . . . 209 Arg CA . 17570 1 580 . 1 1 322 322 ARG CB C 13 30.598 0.075 . 1 . . . . 209 Arg CB . 17570 1 581 . 1 1 322 322 ARG CG C 13 27.424 0.15 . 1 . . . . 209 Arg CG . 17570 1 582 . 1 1 322 322 ARG CD C 13 43.574 0.15 . 1 . . . . 209 Arg CD . 17570 1 583 . 1 1 322 322 ARG N N 15 119.814 0.15 . 1 . . . . 209 Arg N . 17570 1 584 . 1 1 323 323 ILE CA C 13 60.223 0.004 . 1 . . . . 210 Ile CA . 17570 1 585 . 1 1 323 323 ILE CB C 13 37.150 0.117 . 1 . . . . 210 Ile CB . 17570 1 586 . 1 1 323 323 ILE CG1 C 13 27.414 0.036 . 1 . . . . 210 Ile CG1 . 17570 1 587 . 1 1 323 323 ILE CG2 C 13 18.243 0.060 . 1 . . . . 210 Ile CG2 . 17570 1 588 . 1 1 323 323 ILE CD1 C 13 15.831 0.028 . 1 . . . . 210 Ile CD1 . 17570 1 589 . 1 1 323 323 ILE N N 15 109.248 0.15 . 1 . . . . 210 Ile N . 17570 1 590 . 1 1 324 324 GLY CA C 13 46.189 0.003 . 1 . . . . 211 Gly CA . 17570 1 591 . 1 1 324 324 GLY N N 15 108.146 0.15 . 1 . . . . 211 Gly N . 17570 1 592 . 1 1 325 325 ILE CA C 13 60.539 0.164 . 1 . . . . 212 Ile CA . 17570 1 593 . 1 1 325 325 ILE CB C 13 38.567 0.057 . 1 . . . . 212 Ile CB . 17570 1 594 . 1 1 325 325 ILE CG1 C 13 27.664 0.052 . 1 . . . . 212 Ile CG1 . 17570 1 595 . 1 1 325 325 ILE CG2 C 13 15.117 0.15 . 1 . . . . 212 Ile CG2 . 17570 1 596 . 1 1 325 325 ILE CD1 C 13 15.174 0.018 . 1 . . . . 212 Ile CD1 . 17570 1 597 . 1 1 325 325 ILE N N 15 119.521 0.040 . 1 . . . . 212 Ile N . 17570 1 598 . 1 1 326 326 ASN CA C 13 50.606 0.151 . 1 . . . . 213 Asn CA . 17570 1 599 . 1 1 326 326 ASN CB C 13 38.374 0.019 . 1 . . . . 213 Asn CB . 17570 1 600 . 1 1 326 326 ASN CG C 13 176.754 0.15 . 1 . . . . 213 Asn CG . 17570 1 601 . 1 1 326 326 ASN N N 15 128.374 0.15 . 1 . . . . 213 Asn N . 17570 1 602 . 1 1 327 327 ILE CA C 13 66.878 0.15 . 1 . . . . 214 Ile CA . 17570 1 603 . 1 1 327 327 ILE CB C 13 37.935 0.15 . 1 . . . . 214 Ile CB . 17570 1 604 . 1 1 327 327 ILE N N 15 122.657 0.15 . 1 . . . . 214 Ile N . 17570 1 605 . 1 1 328 328 LYS CA C 13 59.734 0.110 . 1 . . . . 215 Lys CA . 17570 1 606 . 1 1 328 328 LYS CB C 13 32.792 0.083 . 1 . . . . 215 Lys CB . 17570 1 607 . 1 1 328 328 LYS CG C 13 24.579 0.164 . 1 . . . . 215 Lys CG . 17570 1 608 . 1 1 328 328 LYS CD C 13 29.581 0.160 . 1 . . . . 215 Lys CD . 17570 1 609 . 1 1 328 328 LYS CE C 13 41.939 0.15 . 1 . . . . 215 Lys CE . 17570 1 610 . 1 1 328 328 LYS N N 15 117.295 0.050 . 1 . . . . 215 Lys N . 17570 1 611 . 1 1 329 329 ILE CA C 13 60.893 0.123 . 1 . . . . 216 Ile CA . 17570 1 612 . 1 1 329 329 ILE CB C 13 38.779 0.143 . 1 . . . . 216 Ile CB . 17570 1 613 . 1 1 329 329 ILE CG1 C 13 27.733 0.029 . 1 . . . . 216 Ile CG1 . 17570 1 614 . 1 1 329 329 ILE CG2 C 13 17.091 0.056 . 1 . . . . 216 Ile CG2 . 17570 1 615 . 1 1 329 329 ILE CD1 C 13 15.135 0.15 . 1 . . . . 216 Ile CD1 . 17570 1 616 . 1 1 329 329 ILE N N 15 111.163 0.064 . 1 . . . . 216 Ile N . 17570 1 617 . 1 1 330 330 GLU CA C 13 59.477 0.027 . 1 . . . . 217 Glu CA . 17570 1 618 . 1 1 330 330 GLU CB C 13 33.652 0.041 . 1 . . . . 217 Glu CB . 17570 1 619 . 1 1 330 330 GLU CG C 13 33.499 0.15 . 1 . . . . 217 Glu CG . 17570 1 620 . 1 1 330 330 GLU N N 15 117.460 0.15 . 1 . . . . 217 Glu N . 17570 1 621 . 1 1 331 331 PHE CA C 13 55.267 0.155 . 1 . . . . 218 Phe CA . 17570 1 622 . 1 1 331 331 PHE CB C 13 40.432 0.165 . 1 . . . . 218 Phe CB . 17570 1 623 . 1 1 331 331 PHE CZ C 13 130.170 0.15 . 1 . . . . 218 Phe CZ . 17570 1 624 . 1 1 331 331 PHE N N 15 115.678 0.15 . 1 . . . . 218 Phe N . 17570 1 625 . 1 1 332 332 PRO CA C 13 65.934 0.057 . 1 . . . . 219 Pro CA . 17570 1 626 . 1 1 332 332 PRO CB C 13 32.771 0.044 . 1 . . . . 219 Pro CB . 17570 1 627 . 1 1 332 332 PRO CG C 13 27.649 0.036 . 1 . . . . 219 Pro CG . 17570 1 628 . 1 1 332 332 PRO CD C 13 49.759 0.076 . 1 . . . . 219 Pro CD . 17570 1 629 . 1 1 332 332 PRO N N 15 135.267 0.15 . 1 . . . . 219 Pro N . 17570 1 630 . 1 1 333 333 GLU CA C 13 59.599 0.069 . 1 . . . . 220 Glu CA . 17570 1 631 . 1 1 333 333 GLU CB C 13 27.629 0.093 . 1 . . . . 220 Glu CB . 17570 1 632 . 1 1 333 333 GLU CG C 13 35.952 0.15 . 1 . . . . 220 Glu CG . 17570 1 633 . 1 1 333 333 GLU CD C 13 183.321 0.15 . 1 . . . . 220 Glu CD . 17570 1 634 . 1 1 333 333 GLU N N 15 124.522 0.15 . 1 . . . . 220 Glu N . 17570 1 635 . 1 1 334 334 VAL CA C 13 65.981 0.075 . 1 . . . . 221 Val CA . 17570 1 636 . 1 1 334 334 VAL CB C 13 30.499 0.078 . 1 . . . . 221 Val CB . 17570 1 637 . 1 1 334 334 VAL CG1 C 13 21.774 0.102 . 2 . . . . 221 Val CG1 . 17570 1 638 . 1 1 334 334 VAL CG2 C 13 22.871 0.094 . 2 . . . . 221 Val CG2 . 17570 1 639 . 1 1 334 334 VAL N N 15 128.155 0.133 . 1 . . . . 221 Val N . 17570 1 640 . 1 1 335 335 TYR CA C 13 62.447 0.144 . 1 . . . . 222 Tyr CA . 17570 1 641 . 1 1 335 335 TYR CB C 13 37.750 0.097 . 1 . . . . 222 Tyr CB . 17570 1 642 . 1 1 335 335 TYR CD1 C 13 132.539 0.15 . 3 . . . . 222 Tyr CD1 . 17570 1 643 . 1 1 335 335 TYR CD2 C 13 132.539 0.15 . 3 . . . . 222 Tyr CD2 . 17570 1 644 . 1 1 335 335 TYR CE1 C 13 118.263 0.114 . 3 . . . . 222 Tyr CE1 . 17570 1 645 . 1 1 335 335 TYR CE2 C 13 118.263 0.114 . 3 . . . . 222 Tyr CE2 . 17570 1 646 . 1 1 335 335 TYR N N 15 123.603 0.15 . 1 . . . . 222 Tyr N . 17570 1 647 . 1 1 336 336 LYS CA C 13 60.589 0.044 . 1 . . . . 223 Lys CA . 17570 1 648 . 1 1 336 336 LYS CB C 13 32.369 0.051 . 1 . . . . 223 Lys CB . 17570 1 649 . 1 1 336 336 LYS CD C 13 29.566 0.115 . 1 . . . . 223 Lys CD . 17570 1 650 . 1 1 336 336 LYS CE C 13 42.634 0.15 . 1 . . . . 223 Lys CE . 17570 1 651 . 1 1 336 336 LYS N N 15 118.952 0.15 . 1 . . . . 223 Lys N . 17570 1 652 . 1 1 337 337 TRP CA C 13 59.171 0.15 . 1 . . . . 224 Trp CA . 17570 1 653 . 1 1 337 337 TRP CB C 13 30.989 0.15 . 1 . . . . 224 Trp CB . 17570 1 654 . 1 1 337 337 TRP N N 15 122.621 0.15 . 1 . . . . 224 Trp N . 17570 1 655 . 1 1 338 338 THR CA C 13 67.724 0.098 . 1 . . . . 225 Thr CA . 17570 1 656 . 1 1 338 338 THR CB C 13 69.170 0.070 . 1 . . . . 225 Thr CB . 17570 1 657 . 1 1 338 338 THR CG2 C 13 22.666 0.15 . 1 . . . . 225 Thr CG2 . 17570 1 658 . 1 1 338 338 THR N N 15 114.058 0.15 . 1 . . . . 225 Thr N . 17570 1 659 . 1 1 339 339 LYS CA C 13 59.126 0.067 . 1 . . . . 226 Lys CA . 17570 1 660 . 1 1 339 339 LYS CB C 13 30.655 0.082 . 1 . . . . 226 Lys CB . 17570 1 661 . 1 1 339 339 LYS CG C 13 23.765 0.15 . 1 . . . . 226 Lys CG . 17570 1 662 . 1 1 339 339 LYS CD C 13 27.633 0.15 . 1 . . . . 226 Lys CD . 17570 1 663 . 1 1 339 339 LYS N N 15 121.735 0.15 . 1 . . . . 226 Lys N . 17570 1 664 . 1 1 344 344 ARG CA C 13 55.171 0.065 . 1 . . . . 231 Arg CA . 17570 1 665 . 1 1 344 344 ARG CB C 13 29.475 0.081 . 1 . . . . 231 Arg CB . 17570 1 666 . 1 1 344 344 ARG CD C 13 42.896 0.15 . 1 . . . . 231 Arg CD . 17570 1 667 . 1 1 344 344 ARG N N 15 122.089 0.15 . 1 . . . . 231 Arg N . 17570 1 668 . 1 1 345 345 PRO CA C 13 65.601 0.040 . 1 . . . . 232 Pro CA . 17570 1 669 . 1 1 345 345 PRO CB C 13 32.155 0.051 . 1 . . . . 232 Pro CB . 17570 1 670 . 1 1 345 345 PRO CG C 13 27.701 0.027 . 1 . . . . 232 Pro CG . 17570 1 671 . 1 1 345 345 PRO CD C 13 50.668 0.015 . 1 . . . . 232 Pro CD . 17570 1 672 . 1 1 345 345 PRO N N 15 137.092 0.15 . 1 . . . . 232 Pro N . 17570 1 673 . 1 1 346 346 ALA CA C 13 55.061 0.15 . 1 . . . . 233 Ala CA . 17570 1 674 . 1 1 346 346 ALA CB C 13 17.701 0.15 . 1 . . . . 233 Ala CB . 17570 1 675 . 1 1 346 346 ALA N N 15 118.750 0.15 . 1 . . . . 233 Ala N . 17570 1 676 . 1 1 347 347 VAL CA C 13 66.191 0.056 . 1 . . . . 234 Val CA . 17570 1 677 . 1 1 347 347 VAL CB C 13 31.715 0.053 . 1 . . . . 234 Val CB . 17570 1 678 . 1 1 347 347 VAL CG1 C 13 22.508 0.042 . 2 . . . . 234 Val CG1 . 17570 1 679 . 1 1 347 347 VAL CG2 C 13 22.803 0.004 . 2 . . . . 234 Val CG2 . 17570 1 680 . 1 1 347 347 VAL N N 15 118.901 0.275 . 1 . . . . 234 Val N . 17570 1 681 . 1 1 348 348 ILE CA C 13 65.110 0.016 . 1 . . . . 235 Ile CA . 17570 1 682 . 1 1 348 348 ILE CB C 13 38.692 0.076 . 1 . . . . 235 Ile CB . 17570 1 683 . 1 1 348 348 ILE CG1 C 13 29.532 0.156 . 1 . . . . 235 Ile CG1 . 17570 1 684 . 1 1 348 348 ILE CG2 C 13 17.057 0.044 . 1 . . . . 235 Ile CG2 . 17570 1 685 . 1 1 348 348 ILE CD1 C 13 14.102 0.071 . 1 . . . . 235 Ile CD1 . 17570 1 686 . 1 1 348 348 ILE N N 15 118.344 0.15 . 1 . . . . 235 Ile N . 17570 1 687 . 1 1 349 349 LYS CA C 13 59.600 0.052 . 1 . . . . 236 Lys CA . 17570 1 688 . 1 1 349 349 LYS CB C 13 32.959 0.007 . 1 . . . . 236 Lys CB . 17570 1 689 . 1 1 349 349 LYS CG C 13 24.528 0.045 . 1 . . . . 236 Lys CG . 17570 1 690 . 1 1 349 349 LYS CD C 13 29.875 0.016 . 1 . . . . 236 Lys CD . 17570 1 691 . 1 1 349 349 LYS N N 15 117.304 0.15 . 1 . . . . 236 Lys N . 17570 1 692 . 1 1 350 350 ALA CA C 13 54.624 0.15 . 1 . . . . 237 Ala CA . 17570 1 693 . 1 1 350 350 ALA CB C 13 19.397 0.15 . 1 . . . . 237 Ala CB . 17570 1 694 . 1 1 350 350 ALA N N 15 121.210 0.15 . 1 . . . . 237 Ala N . 17570 1 stop_ save_