data_15539_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15539 _Entry.PDB_ID 3CSX _Entry.NMR_STAR_version 3.0.9.100 save_ save_delta_chem_shifts_single _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single _Entity_delta_chem_shifts.Conformer_type "single" _Entity_delta_chem_shifts.Conformer_count 1 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Conformer_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 112 . 1 1 1 A 19 19 ASP H H 16 8.240 8.677 -0.437 1 1 113 . 1 1 1 A 19 19 ASP HA H 16 4.500 4.774 -0.274 1 1 116 . 1 1 1 A 19 19 ASP C C 16 178.700 176.745 1.955 1 1 117 . 1 1 1 A 19 19 ASP CA C 16 57.200 52.630 4.570 1 1 118 . 1 1 1 A 19 19 ASP CB C 16 41.000 39.326 1.674 1 1 119 . 1 1 1 A 19 19 ASP N N 16 119.100 120.742 -1.642 1 1 120 . 1 1 1 A 20 20 LEU H H 17 8.150 7.980 0.170 1 1 121 . 1 1 1 A 20 20 LEU C C 17 178.700 178.957 -0.257 1 1 122 . 1 1 1 A 20 20 LEU CA C 17 57.600 57.715 -0.115 1 1 123 . 1 1 1 A 20 20 LEU CB C 17 46.000 41.269 4.731 1 1 124 . 1 1 1 A 20 20 LEU N N 17 123.100 125.514 -2.414 1 1 125 . 1 1 1 A 21 21 LYS H H 18 8.720 8.146 0.574 1 1 126 . 1 1 1 A 21 21 LYS C C 18 179.600 178.916 0.684 1 1 127 . 1 1 1 A 21 21 LYS CA C 18 60.500 60.300 0.200 1 1 128 . 1 1 1 A 21 21 LYS CB C 18 31.600 32.135 -0.535 1 1 129 . 1 1 1 A 21 21 LYS N N 18 119.500 118.245 1.255 1 1 130 . 1 1 1 A 22 22 LYS H H 19 7.740 7.945 -0.205 1 1 131 . 1 1 1 A 22 22 LYS C C 19 179.500 179.184 0.316 1 1 132 . 1 1 1 A 22 22 LYS CA C 19 59.800 59.327 0.473 1 1 133 . 1 1 1 A 22 22 LYS CB C 19 31.600 31.962 -0.362 1 1 134 . 1 1 1 A 22 22 LYS N N 19 119.500 120.246 -0.746 1 1 135 . 1 1 1 A 23 23 LYS H H 20 7.980 7.807 0.173 1 1 136 . 1 1 1 A 23 23 LYS HA H 20 4.070 4.026 0.044 1 1 139 . 1 1 1 A 23 23 LYS C C 20 179.500 179.277 0.223 1 1 140 . 1 1 1 A 23 23 LYS CA C 20 59.500 59.211 0.289 1 1 141 . 1 1 1 A 23 23 LYS CB C 20 32.200 32.587 -0.387 1 1 142 . 1 1 1 A 23 23 LYS N N 20 121.700 118.772 2.928 1 1 143 . 1 1 1 A 24 24 VAL H H 21 8.710 7.909 0.801 1 1 144 . 1 1 1 A 24 24 VAL C C 21 177.300 177.769 -0.469 1 1 145 . 1 1 1 A 24 24 VAL CA C 21 66.800 66.554 0.246 1 1 146 . 1 1 1 A 24 24 VAL CB C 21 31.000 31.361 -0.361 1 1 147 . 1 1 1 A 24 24 VAL N N 21 120.200 120.555 -0.355 1 1 148 . 1 1 1 A 25 25 ARG H H 22 7.960 8.120 -0.160 1 1 149 . 1 1 1 A 25 25 ARG C C 22 179.800 178.760 1.040 1 1 150 . 1 1 1 A 25 25 ARG CA C 22 59.800 59.844 -0.044 1 1 151 . 1 1 1 A 25 25 ARG CB C 22 29.100 29.837 -0.737 1 1 152 . 1 1 1 A 25 25 ARG N N 22 120.100 119.862 0.238 1 1 153 . 1 1 1 A 26 26 LYS C C 23 179.800 178.892 0.908 1 1 154 . 1 1 1 A 26 26 LYS CA C 23 59.000 59.356 -0.356 1 1 155 . 1 1 1 A 26 26 LYS CB C 23 31.600 32.021 -0.421 1 1 156 . 1 1 1 A 26 26 LYS N N 23 119.900 119.422 0.478 1 1 157 . 1 1 1 A 27 27 LEU H H 24 8.460 8.217 0.243 1 1 158 . 1 1 1 A 27 27 LEU C C 24 178.700 179.020 -0.320 1 1 159 . 1 1 1 A 27 27 LEU CA C 24 57.200 57.940 -0.740 1 1 160 . 1 1 1 A 27 27 LEU CB C 24 41.600 41.086 0.514 1 1 163 . 1 1 1 A 27 27 LEU N N 24 121.900 119.376 2.524 1 1 164 . 1 1 1 A 28 28 ASN H H 25 9.030 8.300 0.730 1 1 165 . 1 1 1 A 28 28 ASN CA C 25 56.500 56.898 -0.398 1 1 166 . 1 1 1 A 28 28 ASN CB C 25 38.500 39.175 -0.675 1 1 167 . 1 1 1 A 28 28 ASN N N 25 119.100 118.208 0.892 1 1 168 . 1 1 1 A 29 29 SER H H 26 7.730 8.043 -0.313 1 1 169 . 1 1 1 A 29 29 SER C C 26 177.300 175.929 1.371 1 1 170 . 1 1 1 A 29 29 SER CA C 26 61.400 61.797 -0.397 1 1 171 . 1 1 1 A 29 29 SER CB C 26 62.300 62.901 -0.601 1 1 172 . 1 1 1 A 29 29 SER N N 26 115.700 115.610 0.090 1 1 173 . 1 1 1 A 30 30 LYS H H 27 7.720 7.811 -0.091 1 1 174 . 1 1 1 A 30 30 LYS C C 27 178.700 178.474 0.226 1 1 175 . 1 1 1 A 30 30 LYS CA C 27 58.600 59.083 -0.483 1 1 176 . 1 1 1 A 30 30 LYS CB C 27 31.600 32.155 -0.555 1 1 177 . 1 1 1 A 30 30 LYS N N 27 124.000 121.812 2.188 1 1 178 . 1 1 1 A 31 31 ALA H H 28 8.970 8.311 0.659 1 1 179 . 1 1 1 A 31 31 ALA C C 28 179.200 179.867 -0.667 1 1 180 . 1 1 1 A 31 31 ALA CA C 28 55.100 55.078 0.022 1 1 181 . 1 1 1 A 31 31 ALA CB C 28 16.600 17.767 -1.167 1 1 182 . 1 1 1 A 31 31 ALA N N 28 123.200 121.738 1.462 1 1 183 . 1 1 1 A 32 32 GLY H H 29 7.920 8.282 -0.362 1 1 184 . 1 1 1 A 32 32 GLY C C 29 176.800 175.586 1.214 1 1 185 . 1 1 1 A 32 32 GLY CA C 29 47.300 47.250 0.050 1 1 186 . 1 1 1 A 32 32 GLY N N 29 104.200 106.410 -2.210 1 1 187 . 1 1 1 A 33 33 GLN H H 30 7.600 8.122 -0.522 1 1 188 . 1 1 1 A 33 33 GLN C C 30 178.200 178.380 -0.180 1 1 189 . 1 1 1 A 33 33 GLN CA C 30 58.800 58.289 0.511 1 1 190 . 1 1 1 A 33 33 GLN CB C 30 27.900 28.592 -0.692 1 1 191 . 1 1 1 A 33 33 GLN N N 30 122.200 121.067 1.133 1 1 192 . 1 1 1 A 34 34 MET H H 31 8.370 8.339 0.031 1 1 193 . 1 1 1 A 34 34 MET C C 31 179.000 178.518 0.482 1 1 194 . 1 1 1 A 34 34 MET CA C 31 57.600 58.831 -1.231 1 1 195 . 1 1 1 A 34 34 MET CB C 31 31.000 31.996 -0.996 1 1 196 . 1 1 1 A 34 34 MET N N 31 119.000 118.399 0.601 1 1 197 . 1 1 1 A 35 35 LYS H H 32 8.750 8.164 0.586 1 1 198 . 1 1 1 A 35 35 LYS C C 32 177.900 178.603 -0.703 1 1 199 . 1 1 1 A 35 35 LYS CA C 32 60.000 59.786 0.214 1 1 200 . 1 1 1 A 35 35 LYS CB C 32 31.600 32.642 -1.042 1 1 201 . 1 1 1 A 35 35 LYS N N 32 120.400 121.306 -0.906 1 1 202 . 1 1 1 A 36 36 MET H H 33 7.510 8.401 -0.891 1 1 203 . 1 1 1 A 36 36 MET C C 33 178.400 178.592 -0.192 1 1 204 . 1 1 1 A 36 36 MET CA C 33 58.100 58.960 -0.860 1 1 205 . 1 1 1 A 36 36 MET CB C 33 31.000 32.491 -1.491 1 1 206 . 1 1 1 A 36 36 MET N N 33 118.500 118.579 -0.079 1 1 207 . 1 1 1 A 37 37 ASP H H 34 8.630 8.034 0.596 1 1 208 . 1 1 1 A 37 37 ASP C C 34 177.100 178.805 -1.705 1 1 209 . 1 1 1 A 37 37 ASP CA C 34 57.400 57.415 -0.015 1 1 210 . 1 1 1 A 37 37 ASP CB C 34 39.100 40.667 -1.567 1 1 211 . 1 1 1 A 37 37 ASP N N 34 121.200 119.560 1.640 1 1 212 . 1 1 1 A 38 38 LEU H H 35 8.110 7.873 0.237 1 1 213 . 1 1 1 A 38 38 LEU N N 35 123.000 120.853 2.147 1 1 214 . 1 1 1 A 39 39 HIS H H 36 8.530 8.234 0.296 1 1 215 . 1 1 1 A 39 39 HIS N N 36 119.700 118.454 1.246 1 1 216 . 1 1 1 A 40 40 ASP H H 37 8.650 8.410 0.240 1 1 217 . 1 1 1 A 40 40 ASP C C 37 177.300 178.782 -1.482 1 1 218 . 1 1 1 A 40 40 ASP CA C 37 54.100 57.359 -3.259 1 1 219 . 1 1 1 A 40 40 ASP CB C 37 40.400 40.495 -0.095 1 1 220 . 1 1 1 A 40 40 ASP N N 37 119.700 119.443 0.257 1 1 221 . 1 1 1 A 41 41 LEU H H 38 8.380 8.069 0.311 1 1 222 . 1 1 1 A 41 41 LEU C C 38 178.200 178.462 -0.262 1 1 223 . 1 1 1 A 41 41 LEU CA C 38 52.700 57.875 -5.175 1 1 224 . 1 1 1 A 41 41 LEU CB C 38 40.400 41.461 -1.061 1 1 225 . 1 1 1 A 41 41 LEU N N 38 119.100 122.154 -3.054 1 1 226 . 1 1 1 A 42 42 ALA H H 39 8.630 8.503 0.127 1 1 227 . 1 1 1 A 42 42 ALA C C 39 177.600 179.013 -1.413 1 1 228 . 1 1 1 A 42 42 ALA CA C 39 54.700 55.718 -1.018 1 1 229 . 1 1 1 A 42 42 ALA CB C 39 16.600 18.210 -1.610 1 1 230 . 1 1 1 A 42 42 ALA N N 39 120.500 121.314 -0.814 1 1 231 . 1 1 1 A 43 43 GLU H H 40 8.160 8.066 0.094 1 1 232 . 1 1 1 A 43 43 GLU C C 40 178.200 178.604 -0.404 1 1 233 . 1 1 1 A 43 43 GLU CA C 40 58.200 59.275 -1.075 1 1 234 . 1 1 1 A 43 43 GLU CB C 40 29.700 29.154 0.546 1 1 235 . 1 1 1 A 43 43 GLU N N 40 114.800 119.260 -4.460 1 1 236 . 1 1 1 A 44 44 GLY H H 41 7.490 8.063 -0.573 1 1 237 . 1 1 1 A 44 44 GLY C C 41 175.600 174.404 1.196 1 1 238 . 1 1 1 A 44 44 GLY CA C 41 45.500 45.398 0.102 1 1 239 . 1 1 1 A 44 44 GLY N N 41 103.500 106.894 -3.394 1 1 240 . 1 1 1 A 45 45 LEU H H 42 7.110 7.320 -0.210 1 1 241 . 1 1 1 A 45 45 LEU CA C 42 54.100 53.729 0.371 1 1 242 . 1 1 1 A 45 45 LEU CB C 42 39.100 41.406 -2.306 1 1 243 . 1 1 1 A 45 45 LEU N N 42 121.000 121.922 -0.922 1 1 244 . 1 1 1 A 46 46 PRO C C 43 175.900 176.469 -0.569 1 1 245 . 1 1 1 A 46 46 PRO CA C 43 63.300 63.753 -0.453 1 1 246 . 1 1 1 A 46 46 PRO CB C 43 34.700 32.613 2.087 1 1 247 . 1 1 1 A 47 47 THR H H 44 8.970 7.596 1.374 1 1 248 . 1 1 1 A 47 47 THR C C 44 174.800 175.044 -0.244 1 1 249 . 1 1 1 A 47 47 THR CA C 44 65.600 64.310 1.290 1 1 250 . 1 1 1 A 47 47 THR CB C 44 67.900 68.873 -0.973 1 1 252 . 1 1 1 A 47 47 THR N N 44 123.200 115.633 7.567 1 1 253 . 1 1 1 A 48 48 ASP H H 45 9.230 9.303 -0.073 1 1 254 . 1 1 1 A 48 48 ASP CA C 45 56.000 55.349 0.651 1 1 255 . 1 1 1 A 48 48 ASP CB C 45 38.500 38.941 -0.441 1 1 256 . 1 1 1 A 48 48 ASP N N 45 122.100 123.173 -1.073 1 1 257 . 1 1 1 A 49 49 TYR H H 46 7.730 8.194 -0.464 1 1 258 . 1 1 1 A 49 49 TYR C C 46 177.300 177.796 -0.496 1 1 259 . 1 1 1 A 49 49 TYR CA C 46 60.500 60.647 -0.147 1 1 260 . 1 1 1 A 49 49 TYR CB C 46 36.000 37.371 -1.371 1 1 261 . 1 1 1 A 49 49 TYR N N 46 115.700 118.581 -2.881 1 1 262 . 1 1 1 A 50 50 GLU H H 47 9.000 8.870 0.130 1 1 263 . 1 1 1 A 50 50 GLU C C 47 177.100 177.725 -0.625 1 1 264 . 1 1 1 A 50 50 GLU CA C 47 58.600 59.627 -1.027 1 1 265 . 1 1 1 A 50 50 GLU CB C 47 27.900 28.890 -0.990 1 1 267 . 1 1 1 A 50 50 GLU N N 47 120.900 120.417 0.483 1 1 268 . 1 1 1 A 51 51 ASN H H 48 7.980 8.131 -0.151 1 1 269 . 1 1 1 A 51 51 ASN C C 48 176.700 176.248 0.452 1 1 270 . 1 1 1 A 51 51 ASN CA C 48 52.700 53.787 -1.087 1 1 271 . 1 1 1 A 51 51 ASN CB C 48 38.500 39.312 -0.812 1 1 272 . 1 1 1 A 51 51 ASN N N 48 116.700 117.094 -0.394 1 1 273 . 1 1 1 A 52 52 LEU H H 49 7.770 7.740 0.030 1 1 274 . 1 1 1 A 52 52 LEU C C 49 177.400 179.344 -1.944 1 1 275 . 1 1 1 A 52 52 LEU CA C 49 59.000 58.097 0.903 1 1 276 . 1 1 1 A 52 52 LEU CB C 49 43.500 41.969 1.531 1 1 277 . 1 1 1 A 52 52 LEU N N 49 123.400 121.002 2.398 1 1 278 . 1 1 1 A 53 53 VAL H H 50 8.880 8.303 0.577 1 1 279 . 1 1 1 A 53 53 VAL C C 50 177.600 178.018 -0.418 1 1 280 . 1 1 1 A 53 53 VAL CA C 50 67.700 66.755 0.945 1 1 281 . 1 1 1 A 53 53 VAL CB C 50 30.400 31.647 -1.247 1 1 284 . 1 1 1 A 53 53 VAL N N 50 119.700 118.044 1.656 1 1 285 . 1 1 1 A 54 54 GLU H H 51 8.820 8.322 0.498 1 1 286 . 1 1 1 A 54 54 GLU C C 51 179.300 178.866 0.434 1 1 287 . 1 1 1 A 54 54 GLU CA C 51 59.000 58.636 0.364 1 1 288 . 1 1 1 A 54 54 GLU CB C 51 28.500 29.249 -0.749 1 1 290 . 1 1 1 A 54 54 GLU N N 51 120.200 119.541 0.659 1 1 291 . 1 1 1 A 55 55 THR H H 52 7.650 8.012 -0.362 1 1 292 . 1 1 1 A 55 55 THR C C 52 177.600 175.993 1.607 1 1 293 . 1 1 1 A 55 55 THR CA C 52 66.800 66.592 0.208 1 1 294 . 1 1 1 A 55 55 THR CB C 52 67.300 68.494 -1.194 1 1 295 . 1 1 1 A 55 55 THR N N 52 114.500 116.633 -2.133 1 1 296 . 1 1 1 A 56 56 ALA H H 53 8.800 8.193 0.607 1 1 297 . 1 1 1 A 56 56 ALA C C 53 178.500 179.782 -1.282 1 1 298 . 1 1 1 A 56 56 ALA CA C 53 56.000 55.577 0.423 1 1 299 . 1 1 1 A 56 56 ALA CB C 53 18.500 18.551 -0.051 1 1 300 . 1 1 1 A 56 56 ALA N N 53 127.600 123.189 4.411 1 1 301 . 1 1 1 A 57 57 GLU H H 54 9.270 8.093 1.177 1 1 302 . 1 1 1 A 57 57 GLU C C 54 179.200 179.163 0.037 1 1 303 . 1 1 1 A 57 57 GLU CA C 54 60.000 59.534 0.466 1 1 304 . 1 1 1 A 57 57 GLU CB C 54 29.100 29.649 -0.549 1 1 306 . 1 1 1 A 57 57 GLU N N 54 120.100 117.720 2.380 1 1 307 . 1 1 1 A 58 58 LYS H H 55 8.120 7.734 0.386 1 1 308 . 1 1 1 A 58 58 LYS C C 55 179.500 179.193 0.307 1 1 309 . 1 1 1 A 58 58 LYS CA C 55 59.000 59.562 -0.562 1 1 310 . 1 1 1 A 58 58 LYS CB C 55 31.600 32.201 -0.601 1 1 311 . 1 1 1 A 58 58 LYS N N 55 118.700 119.462 -0.762 1 1 312 . 1 1 1 A 59 59 THR H H 56 8.020 8.073 -0.053 1 1 313 . 1 1 1 A 59 59 THR C C 56 175.700 176.181 -0.481 1 1 314 . 1 1 1 A 59 59 THR CA C 56 67.300 66.830 0.470 1 1 315 . 1 1 1 A 59 59 THR N N 56 117.000 118.301 -1.301 1 1 316 . 1 1 1 A 60 60 TYR H H 57 9.130 8.295 0.835 1 1 317 . 1 1 1 A 60 60 TYR C C 57 177.000 177.410 -0.410 1 1 318 . 1 1 1 A 60 60 TYR CA C 57 62.400 62.118 0.282 1 1 319 . 1 1 1 A 60 60 TYR CB C 57 37.900 38.534 -0.634 1 1 320 . 1 1 1 A 60 60 TYR N N 57 123.500 120.790 2.710 1 1 321 . 1 1 1 A 61 61 GLU H H 58 8.230 8.490 -0.260 1 1 322 . 1 1 1 A 61 61 GLU C C 58 179.800 179.390 0.410 1 1 323 . 1 1 1 A 61 61 GLU CA C 58 59.000 59.305 -0.305 1 1 324 . 1 1 1 A 61 61 GLU CB C 58 29.100 29.412 -0.312 1 1 325 . 1 1 1 A 61 61 GLU N N 58 116.600 117.389 -0.789 1 1 326 . 1 1 1 A 62 62 ILE H H 59 7.430 7.831 -0.401 1 1 327 . 1 1 1 A 62 62 ILE HA H 59 4.050 3.662 0.388 1 1 337 . 1 1 1 A 62 62 ILE C C 59 177.000 177.686 -0.686 1 1 338 . 1 1 1 A 62 62 ILE CA C 59 63.000 65.205 -2.205 1 1 339 . 1 1 1 A 62 62 ILE CB C 59 36.600 37.698 -1.098 1 1 343 . 1 1 1 A 62 62 ILE N N 59 119.500 120.520 -1.020 1 1 344 . 1 1 1 A 63 63 PHE H H 60 7.910 7.869 0.041 1 1 345 . 1 1 1 A 63 63 PHE C C 60 178.200 178.065 0.135 1 1 346 . 1 1 1 A 63 63 PHE CA C 60 63.700 60.386 3.314 1 1 347 . 1 1 1 A 63 63 PHE CB C 60 37.900 38.543 -0.643 1 1 348 . 1 1 1 A 63 63 PHE N N 60 119.100 118.104 0.996 1 1 349 . 1 1 1 A 64 64 ARG H H 61 8.780 8.247 0.533 1 1 350 . 1 1 1 A 64 64 ARG C C 61 178.200 178.741 -0.541 1 1 351 . 1 1 1 A 64 64 ARG CA C 61 58.600 59.486 -0.886 1 1 352 . 1 1 1 A 64 64 ARG CB C 61 28.500 29.612 -1.112 1 1 353 . 1 1 1 A 64 64 ARG N N 61 122.900 120.610 2.290 1 1 354 . 1 1 1 A 65 65 GLU H H 62 7.720 8.181 -0.461 1 1 355 . 1 1 1 A 65 65 GLU C C 62 178.700 178.528 0.172 1 1 356 . 1 1 1 A 65 65 GLU CA C 62 59.000 58.991 0.009 1 1 357 . 1 1 1 A 65 65 GLU CB C 62 28.500 29.312 -0.812 1 1 358 . 1 1 1 A 65 65 GLU N N 62 121.400 119.287 2.113 1 1 359 . 1 1 1 A 66 66 LEU H H 63 8.300 8.168 0.132 1 1 360 . 1 1 1 A 66 66 LEU C C 63 177.400 177.887 -0.487 1 1 361 . 1 1 1 A 66 66 LEU CA C 63 57.900 57.560 0.340 1 1 362 . 1 1 1 A 66 66 LEU CB C 63 41.600 41.477 0.123 1 1 366 . 1 1 1 A 66 66 LEU N N 63 119.500 121.180 -1.680 1 1 367 . 1 1 1 A 67 67 ASP H H 64 7.890 8.179 -0.289 1 1 368 . 1 1 1 A 67 67 ASP C C 64 178.500 178.687 -0.187 1 1 369 . 1 1 1 A 67 67 ASP CA C 64 56.900 57.789 -0.889 1 1 370 . 1 1 1 A 67 67 ASP CB C 64 41.600 42.050 -0.450 1 1 371 . 1 1 1 A 67 67 ASP N N 64 118.200 119.093 -0.893 1 1 372 . 1 1 1 A 68 68 GLN H H 65 7.810 8.034 -0.224 1 1 373 . 1 1 1 A 68 68 GLN C C 65 177.400 178.727 -1.327 1 1 374 . 1 1 1 A 68 68 GLN CA C 65 58.600 58.807 -0.207 1 1 375 . 1 1 1 A 68 68 GLN CB C 65 27.900 28.051 -0.151 1 1 376 . 1 1 1 A 68 68 GLN N N 65 115.900 118.303 -2.403 1 1 377 . 1 1 1 A 69 69 LEU H H 66 8.590 8.025 0.565 1 1 378 . 1 1 1 A 69 69 LEU C C 66 178.700 178.768 -0.068 1 1 379 . 1 1 1 A 69 69 LEU CA C 66 57.400 57.594 -0.194 1 1 380 . 1 1 1 A 69 69 LEU CB C 66 41.000 41.574 -0.574 1 1 381 . 1 1 1 A 69 69 LEU N N 66 120.700 121.124 -0.424 1 1 382 . 1 1 1 A 70 70 LYS H H 67 8.720 8.222 0.498 1 1 383 . 1 1 1 A 70 70 LYS C C 67 179.800 179.676 0.124 1 1 384 . 1 1 1 A 70 70 LYS CA C 67 60.000 60.248 -0.248 1 1 385 . 1 1 1 A 70 70 LYS CB C 67 31.600 31.999 -0.399 1 1 386 . 1 1 1 A 70 70 LYS N N 67 119.500 118.444 1.056 1 1 387 . 1 1 1 A 71 71 LYS H H 68 7.900 7.540 0.360 1 1 388 . 1 1 1 A 71 71 LYS C C 68 179.000 179.067 -0.067 1 1 389 . 1 1 1 A 71 71 LYS CA C 68 59.500 59.811 -0.311 1 1 390 . 1 1 1 A 71 71 LYS CB C 68 31.000 31.984 -0.984 1 1 391 . 1 1 1 A 71 71 LYS N N 68 119.900 119.825 0.075 1 1 392 . 1 1 1 A 72 72 LYS H H 69 7.480 7.820 -0.340 1 1 393 . 1 1 1 A 72 72 LYS CA C 69 58.800 59.536 -0.736 1 1 394 . 1 1 1 A 72 72 LYS CB C 69 31.000 31.956 -0.956 1 1 395 . 1 1 1 A 72 72 LYS N N 69 120.600 120.977 -0.377 1 1 396 . 1 1 1 A 73 73 LEU H H 70 8.620 7.995 0.625 1 1 397 . 1 1 1 A 73 73 LEU C C 70 174.200 178.356 -4.156 1 1 398 . 1 1 1 A 73 73 LEU CA C 70 57.600 57.680 -0.080 1 1 399 . 1 1 1 A 73 73 LEU CB C 70 40.400 41.212 -0.812 1 1 403 . 1 1 1 A 73 73 LEU N N 70 122.100 120.720 1.380 1 1 404 . 1 1 1 A 74 74 ASN H H 71 8.040 8.101 -0.061 1 1 405 . 1 1 1 A 74 74 ASN C C 71 177.900 177.957 -0.057 1 1 406 . 1 1 1 A 74 74 ASN CA C 71 56.200 55.614 0.586 1 1 407 . 1 1 1 A 74 74 ASN CB C 71 38.500 38.381 0.119 1 1 408 . 1 1 1 A 74 74 ASN N N 71 116.400 117.330 -0.930 1 1 409 . 1 1 1 A 75 75 ILE H H 72 7.630 7.807 -0.177 1 1 410 . 1 1 1 A 75 75 ILE HA H 72 3.990 3.680 0.310 1 1 420 . 1 1 1 A 75 75 ILE C C 72 179.600 178.434 1.166 1 1 421 . 1 1 1 A 75 75 ILE CA C 72 64.200 65.231 -1.031 1 1 422 . 1 1 1 A 75 75 ILE CB C 72 37.200 37.933 -0.733 1 1 425 . 1 1 1 A 75 75 ILE N N 72 119.700 119.596 0.104 1 1 426 . 1 1 1 A 76 76 TRP H H 73 8.890 8.173 0.717 1 1 430 . 1 1 1 A 76 76 TRP C C 73 179.000 178.698 0.302 1 1 431 . 1 1 1 A 76 76 TRP CA C 73 59.000 61.297 -2.297 1 1 432 . 1 1 1 A 76 76 TRP CB C 73 29.100 29.912 -0.812 1 1 433 . 1 1 1 A 76 76 TRP N N 73 122.500 121.815 0.685 1 1 435 . 1 1 1 A 77 77 GLU H H 74 9.180 8.099 1.081 1 1 436 . 1 1 1 A 77 77 GLU C C 74 179.200 178.326 0.874 1 1 437 . 1 1 1 A 77 77 GLU CA C 74 59.800 58.393 1.407 1 1 438 . 1 1 1 A 77 77 GLU CB C 74 29.100 29.498 -0.398 1 1 439 . 1 1 1 A 77 77 GLU N N 74 118.500 118.790 -0.290 1 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Assigned_chem_shift_list_ID _SPARTA_output.Conformer_ID _SPARTA_output.Entity_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Entity_delta_chem_shifts_ID 1 1 1 1 "RMS(OBS, PRED)" C 53 1.007 1 2 1 1 1 "RMS(OBS, PRED)" CA 57 1.332 1 3 1 1 1 "RMS(OBS, PRED)" CB 54 1.151 1 4 1 1 1 "RMS(OBS, PRED)" H 57 0.505 1 5 1 1 1 "RMS(OBS, PRED)" HA 4 0.329 1 6 1 1 1 "RMS(OBS, PRED)" N 58 2.027 1 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Conformer_type "average" _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 112 . 1 1 A 19 19 ASP H H 16 8.240 8.677 -0.437 2 1 113 . 1 1 A 19 19 ASP HA H 16 4.500 4.774 -0.274 2 1 116 . 1 1 A 19 19 ASP C C 16 178.700 176.745 1.955 2 1 117 . 1 1 A 19 19 ASP CA C 16 57.200 52.630 4.570 2 1 118 . 1 1 A 19 19 ASP CB C 16 41.000 39.326 1.674 2 1 119 . 1 1 A 19 19 ASP N N 16 119.100 120.742 -1.642 2 1 120 . 1 1 A 20 20 LEU H H 17 8.150 7.980 0.170 2 1 121 . 1 1 A 20 20 LEU C C 17 178.700 178.957 -0.257 2 1 122 . 1 1 A 20 20 LEU CA C 17 57.600 57.715 -0.115 2 1 123 . 1 1 A 20 20 LEU CB C 17 46.000 41.269 4.731 2 1 124 . 1 1 A 20 20 LEU N N 17 123.100 125.514 -2.414 2 1 125 . 1 1 A 21 21 LYS H H 18 8.720 8.146 0.574 2 1 126 . 1 1 A 21 21 LYS C C 18 179.600 178.916 0.684 2 1 127 . 1 1 A 21 21 LYS CA C 18 60.500 60.300 0.200 2 1 128 . 1 1 A 21 21 LYS CB C 18 31.600 32.135 -0.535 2 1 129 . 1 1 A 21 21 LYS N N 18 119.500 118.245 1.255 2 1 130 . 1 1 A 22 22 LYS H H 19 7.740 7.945 -0.205 2 1 131 . 1 1 A 22 22 LYS C C 19 179.500 179.184 0.316 2 1 132 . 1 1 A 22 22 LYS CA C 19 59.800 59.327 0.473 2 1 133 . 1 1 A 22 22 LYS CB C 19 31.600 31.962 -0.362 2 1 134 . 1 1 A 22 22 LYS N N 19 119.500 120.246 -0.746 2 1 135 . 1 1 A 23 23 LYS H H 20 7.980 7.807 0.173 2 1 136 . 1 1 A 23 23 LYS HA H 20 4.070 4.026 0.044 2 1 139 . 1 1 A 23 23 LYS C C 20 179.500 179.277 0.223 2 1 140 . 1 1 A 23 23 LYS CA C 20 59.500 59.211 0.289 2 1 141 . 1 1 A 23 23 LYS CB C 20 32.200 32.587 -0.387 2 1 142 . 1 1 A 23 23 LYS N N 20 121.700 118.772 2.928 2 1 143 . 1 1 A 24 24 VAL H H 21 8.710 7.909 0.801 2 1 144 . 1 1 A 24 24 VAL C C 21 177.300 177.769 -0.469 2 1 145 . 1 1 A 24 24 VAL CA C 21 66.800 66.554 0.246 2 1 146 . 1 1 A 24 24 VAL CB C 21 31.000 31.361 -0.361 2 1 147 . 1 1 A 24 24 VAL N N 21 120.200 120.555 -0.355 2 1 148 . 1 1 A 25 25 ARG H H 22 7.960 8.120 -0.160 2 1 149 . 1 1 A 25 25 ARG C C 22 179.800 178.760 1.040 2 1 150 . 1 1 A 25 25 ARG CA C 22 59.800 59.844 -0.044 2 1 151 . 1 1 A 25 25 ARG CB C 22 29.100 29.837 -0.737 2 1 152 . 1 1 A 25 25 ARG N N 22 120.100 119.862 0.238 2 1 153 . 1 1 A 26 26 LYS C C 23 179.800 178.892 0.908 2 1 154 . 1 1 A 26 26 LYS CA C 23 59.000 59.356 -0.356 2 1 155 . 1 1 A 26 26 LYS CB C 23 31.600 32.021 -0.421 2 1 156 . 1 1 A 26 26 LYS N N 23 119.900 119.422 0.478 2 1 157 . 1 1 A 27 27 LEU H H 24 8.460 8.217 0.243 2 1 158 . 1 1 A 27 27 LEU C C 24 178.700 179.020 -0.320 2 1 159 . 1 1 A 27 27 LEU CA C 24 57.200 57.940 -0.740 2 1 160 . 1 1 A 27 27 LEU CB C 24 41.600 41.086 0.514 2 1 163 . 1 1 A 27 27 LEU N N 24 121.900 119.376 2.524 2 1 164 . 1 1 A 28 28 ASN H H 25 9.030 8.300 0.730 2 1 165 . 1 1 A 28 28 ASN CA C 25 56.500 56.898 -0.398 2 1 166 . 1 1 A 28 28 ASN CB C 25 38.500 39.175 -0.675 2 1 167 . 1 1 A 28 28 ASN N N 25 119.100 118.208 0.892 2 1 168 . 1 1 A 29 29 SER H H 26 7.730 8.043 -0.313 2 1 169 . 1 1 A 29 29 SER C C 26 177.300 175.929 1.371 2 1 170 . 1 1 A 29 29 SER CA C 26 61.400 61.797 -0.397 2 1 171 . 1 1 A 29 29 SER CB C 26 62.300 62.901 -0.601 2 1 172 . 1 1 A 29 29 SER N N 26 115.700 115.610 0.090 2 1 173 . 1 1 A 30 30 LYS H H 27 7.720 7.811 -0.091 2 1 174 . 1 1 A 30 30 LYS C C 27 178.700 178.474 0.226 2 1 175 . 1 1 A 30 30 LYS CA C 27 58.600 59.083 -0.483 2 1 176 . 1 1 A 30 30 LYS CB C 27 31.600 32.155 -0.555 2 1 177 . 1 1 A 30 30 LYS N N 27 124.000 121.812 2.188 2 1 178 . 1 1 A 31 31 ALA H H 28 8.970 8.311 0.659 2 1 179 . 1 1 A 31 31 ALA C C 28 179.200 179.867 -0.667 2 1 180 . 1 1 A 31 31 ALA CA C 28 55.100 55.078 0.022 2 1 181 . 1 1 A 31 31 ALA CB C 28 16.600 17.767 -1.167 2 1 182 . 1 1 A 31 31 ALA N N 28 123.200 121.738 1.462 2 1 183 . 1 1 A 32 32 GLY H H 29 7.920 8.282 -0.362 2 1 184 . 1 1 A 32 32 GLY C C 29 176.800 175.586 1.214 2 1 185 . 1 1 A 32 32 GLY CA C 29 47.300 47.250 0.050 2 1 186 . 1 1 A 32 32 GLY N N 29 104.200 106.410 -2.210 2 1 187 . 1 1 A 33 33 GLN H H 30 7.600 8.122 -0.522 2 1 188 . 1 1 A 33 33 GLN C C 30 178.200 178.380 -0.180 2 1 189 . 1 1 A 33 33 GLN CA C 30 58.800 58.289 0.511 2 1 190 . 1 1 A 33 33 GLN CB C 30 27.900 28.592 -0.692 2 1 191 . 1 1 A 33 33 GLN N N 30 122.200 121.067 1.133 2 1 192 . 1 1 A 34 34 MET H H 31 8.370 8.339 0.031 2 1 193 . 1 1 A 34 34 MET C C 31 179.000 178.518 0.482 2 1 194 . 1 1 A 34 34 MET CA C 31 57.600 58.831 -1.231 2 1 195 . 1 1 A 34 34 MET CB C 31 31.000 31.996 -0.996 2 1 196 . 1 1 A 34 34 MET N N 31 119.000 118.399 0.601 2 1 197 . 1 1 A 35 35 LYS H H 32 8.750 8.164 0.586 2 1 198 . 1 1 A 35 35 LYS C C 32 177.900 178.603 -0.703 2 1 199 . 1 1 A 35 35 LYS CA C 32 60.000 59.786 0.214 2 1 200 . 1 1 A 35 35 LYS CB C 32 31.600 32.642 -1.042 2 1 201 . 1 1 A 35 35 LYS N N 32 120.400 121.306 -0.906 2 1 202 . 1 1 A 36 36 MET H H 33 7.510 8.401 -0.891 2 1 203 . 1 1 A 36 36 MET C C 33 178.400 178.592 -0.192 2 1 204 . 1 1 A 36 36 MET CA C 33 58.100 58.960 -0.860 2 1 205 . 1 1 A 36 36 MET CB C 33 31.000 32.491 -1.491 2 1 206 . 1 1 A 36 36 MET N N 33 118.500 118.579 -0.079 2 1 207 . 1 1 A 37 37 ASP H H 34 8.630 8.034 0.596 2 1 208 . 1 1 A 37 37 ASP C C 34 177.100 178.805 -1.705 2 1 209 . 1 1 A 37 37 ASP CA C 34 57.400 57.415 -0.015 2 1 210 . 1 1 A 37 37 ASP CB C 34 39.100 40.667 -1.567 2 1 211 . 1 1 A 37 37 ASP N N 34 121.200 119.560 1.640 2 1 212 . 1 1 A 38 38 LEU H H 35 8.110 7.873 0.237 2 1 213 . 1 1 A 38 38 LEU N N 35 123.000 120.853 2.147 2 1 214 . 1 1 A 39 39 HIS H H 36 8.530 8.234 0.296 2 1 215 . 1 1 A 39 39 HIS N N 36 119.700 118.454 1.246 2 1 216 . 1 1 A 40 40 ASP H H 37 8.650 8.410 0.240 2 1 217 . 1 1 A 40 40 ASP C C 37 177.300 178.782 -1.482 2 1 218 . 1 1 A 40 40 ASP CA C 37 54.100 57.359 -3.259 2 1 219 . 1 1 A 40 40 ASP CB C 37 40.400 40.495 -0.095 2 1 220 . 1 1 A 40 40 ASP N N 37 119.700 119.443 0.257 2 1 221 . 1 1 A 41 41 LEU H H 38 8.380 8.069 0.311 2 1 222 . 1 1 A 41 41 LEU C C 38 178.200 178.462 -0.262 2 1 223 . 1 1 A 41 41 LEU CA C 38 52.700 57.875 -5.175 2 1 224 . 1 1 A 41 41 LEU CB C 38 40.400 41.461 -1.061 2 1 225 . 1 1 A 41 41 LEU N N 38 119.100 122.154 -3.054 2 1 226 . 1 1 A 42 42 ALA H H 39 8.630 8.503 0.127 2 1 227 . 1 1 A 42 42 ALA C C 39 177.600 179.013 -1.413 2 1 228 . 1 1 A 42 42 ALA CA C 39 54.700 55.718 -1.018 2 1 229 . 1 1 A 42 42 ALA CB C 39 16.600 18.210 -1.610 2 1 230 . 1 1 A 42 42 ALA N N 39 120.500 121.314 -0.814 2 1 231 . 1 1 A 43 43 GLU H H 40 8.160 8.066 0.094 2 1 232 . 1 1 A 43 43 GLU C C 40 178.200 178.604 -0.404 2 1 233 . 1 1 A 43 43 GLU CA C 40 58.200 59.275 -1.075 2 1 234 . 1 1 A 43 43 GLU CB C 40 29.700 29.154 0.546 2 1 235 . 1 1 A 43 43 GLU N N 40 114.800 119.260 -4.460 2 1 236 . 1 1 A 44 44 GLY H H 41 7.490 8.063 -0.573 2 1 237 . 1 1 A 44 44 GLY C C 41 175.600 174.404 1.196 2 1 238 . 1 1 A 44 44 GLY CA C 41 45.500 45.398 0.102 2 1 239 . 1 1 A 44 44 GLY N N 41 103.500 106.894 -3.394 2 1 240 . 1 1 A 45 45 LEU H H 42 7.110 7.320 -0.210 2 1 241 . 1 1 A 45 45 LEU CA C 42 54.100 53.729 0.371 2 1 242 . 1 1 A 45 45 LEU CB C 42 39.100 41.406 -2.306 2 1 243 . 1 1 A 45 45 LEU N N 42 121.000 121.922 -0.922 2 1 244 . 1 1 A 46 46 PRO C C 43 175.900 176.469 -0.569 2 1 245 . 1 1 A 46 46 PRO CA C 43 63.300 63.753 -0.453 2 1 246 . 1 1 A 46 46 PRO CB C 43 34.700 32.613 2.087 2 1 247 . 1 1 A 47 47 THR H H 44 8.970 7.596 1.374 2 1 248 . 1 1 A 47 47 THR C C 44 174.800 175.044 -0.244 2 1 249 . 1 1 A 47 47 THR CA C 44 65.600 64.310 1.290 2 1 250 . 1 1 A 47 47 THR CB C 44 67.900 68.873 -0.973 2 1 252 . 1 1 A 47 47 THR N N 44 123.200 115.633 7.567 2 1 253 . 1 1 A 48 48 ASP H H 45 9.230 9.303 -0.073 2 1 254 . 1 1 A 48 48 ASP CA C 45 56.000 55.349 0.651 2 1 255 . 1 1 A 48 48 ASP CB C 45 38.500 38.941 -0.441 2 1 256 . 1 1 A 48 48 ASP N N 45 122.100 123.173 -1.073 2 1 257 . 1 1 A 49 49 TYR H H 46 7.730 8.194 -0.464 2 1 258 . 1 1 A 49 49 TYR C C 46 177.300 177.796 -0.496 2 1 259 . 1 1 A 49 49 TYR CA C 46 60.500 60.647 -0.147 2 1 260 . 1 1 A 49 49 TYR CB C 46 36.000 37.371 -1.371 2 1 261 . 1 1 A 49 49 TYR N N 46 115.700 118.581 -2.881 2 1 262 . 1 1 A 50 50 GLU H H 47 9.000 8.870 0.130 2 1 263 . 1 1 A 50 50 GLU C C 47 177.100 177.725 -0.625 2 1 264 . 1 1 A 50 50 GLU CA C 47 58.600 59.627 -1.027 2 1 265 . 1 1 A 50 50 GLU CB C 47 27.900 28.890 -0.990 2 1 267 . 1 1 A 50 50 GLU N N 47 120.900 120.417 0.483 2 1 268 . 1 1 A 51 51 ASN H H 48 7.980 8.131 -0.151 2 1 269 . 1 1 A 51 51 ASN C C 48 176.700 176.248 0.452 2 1 270 . 1 1 A 51 51 ASN CA C 48 52.700 53.787 -1.087 2 1 271 . 1 1 A 51 51 ASN CB C 48 38.500 39.312 -0.812 2 1 272 . 1 1 A 51 51 ASN N N 48 116.700 117.094 -0.394 2 1 273 . 1 1 A 52 52 LEU H H 49 7.770 7.740 0.030 2 1 274 . 1 1 A 52 52 LEU C C 49 177.400 179.344 -1.944 2 1 275 . 1 1 A 52 52 LEU CA C 49 59.000 58.097 0.903 2 1 276 . 1 1 A 52 52 LEU CB C 49 43.500 41.969 1.531 2 1 277 . 1 1 A 52 52 LEU N N 49 123.400 121.002 2.398 2 1 278 . 1 1 A 53 53 VAL H H 50 8.880 8.303 0.577 2 1 279 . 1 1 A 53 53 VAL C C 50 177.600 178.018 -0.418 2 1 280 . 1 1 A 53 53 VAL CA C 50 67.700 66.755 0.945 2 1 281 . 1 1 A 53 53 VAL CB C 50 30.400 31.647 -1.247 2 1 284 . 1 1 A 53 53 VAL N N 50 119.700 118.044 1.656 2 1 285 . 1 1 A 54 54 GLU H H 51 8.820 8.322 0.498 2 1 286 . 1 1 A 54 54 GLU C C 51 179.300 178.866 0.434 2 1 287 . 1 1 A 54 54 GLU CA C 51 59.000 58.636 0.364 2 1 288 . 1 1 A 54 54 GLU CB C 51 28.500 29.249 -0.749 2 1 290 . 1 1 A 54 54 GLU N N 51 120.200 119.541 0.659 2 1 291 . 1 1 A 55 55 THR H H 52 7.650 8.012 -0.362 2 1 292 . 1 1 A 55 55 THR C C 52 177.600 175.993 1.607 2 1 293 . 1 1 A 55 55 THR CA C 52 66.800 66.592 0.208 2 1 294 . 1 1 A 55 55 THR CB C 52 67.300 68.494 -1.194 2 1 295 . 1 1 A 55 55 THR N N 52 114.500 116.633 -2.133 2 1 296 . 1 1 A 56 56 ALA H H 53 8.800 8.193 0.607 2 1 297 . 1 1 A 56 56 ALA C C 53 178.500 179.782 -1.282 2 1 298 . 1 1 A 56 56 ALA CA C 53 56.000 55.577 0.423 2 1 299 . 1 1 A 56 56 ALA CB C 53 18.500 18.551 -0.051 2 1 300 . 1 1 A 56 56 ALA N N 53 127.600 123.189 4.411 2 1 301 . 1 1 A 57 57 GLU H H 54 9.270 8.093 1.177 2 1 302 . 1 1 A 57 57 GLU C C 54 179.200 179.163 0.037 2 1 303 . 1 1 A 57 57 GLU CA C 54 60.000 59.534 0.466 2 1 304 . 1 1 A 57 57 GLU CB C 54 29.100 29.649 -0.549 2 1 306 . 1 1 A 57 57 GLU N N 54 120.100 117.720 2.380 2 1 307 . 1 1 A 58 58 LYS H H 55 8.120 7.734 0.386 2 1 308 . 1 1 A 58 58 LYS C C 55 179.500 179.193 0.307 2 1 309 . 1 1 A 58 58 LYS CA C 55 59.000 59.562 -0.562 2 1 310 . 1 1 A 58 58 LYS CB C 55 31.600 32.201 -0.601 2 1 311 . 1 1 A 58 58 LYS N N 55 118.700 119.462 -0.762 2 1 312 . 1 1 A 59 59 THR H H 56 8.020 8.073 -0.053 2 1 313 . 1 1 A 59 59 THR C C 56 175.700 176.181 -0.481 2 1 314 . 1 1 A 59 59 THR CA C 56 67.300 66.830 0.470 2 1 315 . 1 1 A 59 59 THR N N 56 117.000 118.301 -1.301 2 1 316 . 1 1 A 60 60 TYR H H 57 9.130 8.295 0.835 2 1 317 . 1 1 A 60 60 TYR C C 57 177.000 177.410 -0.410 2 1 318 . 1 1 A 60 60 TYR CA C 57 62.400 62.118 0.282 2 1 319 . 1 1 A 60 60 TYR CB C 57 37.900 38.534 -0.634 2 1 320 . 1 1 A 60 60 TYR N N 57 123.500 120.790 2.710 2 1 321 . 1 1 A 61 61 GLU H H 58 8.230 8.490 -0.260 2 1 322 . 1 1 A 61 61 GLU C C 58 179.800 179.390 0.410 2 1 323 . 1 1 A 61 61 GLU CA C 58 59.000 59.305 -0.305 2 1 324 . 1 1 A 61 61 GLU CB C 58 29.100 29.412 -0.312 2 1 325 . 1 1 A 61 61 GLU N N 58 116.600 117.389 -0.789 2 1 326 . 1 1 A 62 62 ILE H H 59 7.430 7.831 -0.401 2 1 327 . 1 1 A 62 62 ILE HA H 59 4.050 3.662 0.388 2 1 337 . 1 1 A 62 62 ILE C C 59 177.000 177.686 -0.686 2 1 338 . 1 1 A 62 62 ILE CA C 59 63.000 65.205 -2.205 2 1 339 . 1 1 A 62 62 ILE CB C 59 36.600 37.698 -1.098 2 1 343 . 1 1 A 62 62 ILE N N 59 119.500 120.520 -1.020 2 1 344 . 1 1 A 63 63 PHE H H 60 7.910 7.869 0.041 2 1 345 . 1 1 A 63 63 PHE C C 60 178.200 178.065 0.135 2 1 346 . 1 1 A 63 63 PHE CA C 60 63.700 60.386 3.314 2 1 347 . 1 1 A 63 63 PHE CB C 60 37.900 38.543 -0.643 2 1 348 . 1 1 A 63 63 PHE N N 60 119.100 118.104 0.996 2 1 349 . 1 1 A 64 64 ARG H H 61 8.780 8.247 0.533 2 1 350 . 1 1 A 64 64 ARG C C 61 178.200 178.741 -0.541 2 1 351 . 1 1 A 64 64 ARG CA C 61 58.600 59.486 -0.886 2 1 352 . 1 1 A 64 64 ARG CB C 61 28.500 29.612 -1.112 2 1 353 . 1 1 A 64 64 ARG N N 61 122.900 120.610 2.290 2 1 354 . 1 1 A 65 65 GLU H H 62 7.720 8.181 -0.461 2 1 355 . 1 1 A 65 65 GLU C C 62 178.700 178.528 0.172 2 1 356 . 1 1 A 65 65 GLU CA C 62 59.000 58.991 0.009 2 1 357 . 1 1 A 65 65 GLU CB C 62 28.500 29.312 -0.812 2 1 358 . 1 1 A 65 65 GLU N N 62 121.400 119.287 2.113 2 1 359 . 1 1 A 66 66 LEU H H 63 8.300 8.168 0.132 2 1 360 . 1 1 A 66 66 LEU C C 63 177.400 177.887 -0.487 2 1 361 . 1 1 A 66 66 LEU CA C 63 57.900 57.560 0.340 2 1 362 . 1 1 A 66 66 LEU CB C 63 41.600 41.477 0.123 2 1 366 . 1 1 A 66 66 LEU N N 63 119.500 121.180 -1.680 2 1 367 . 1 1 A 67 67 ASP H H 64 7.890 8.179 -0.289 2 1 368 . 1 1 A 67 67 ASP C C 64 178.500 178.687 -0.187 2 1 369 . 1 1 A 67 67 ASP CA C 64 56.900 57.789 -0.889 2 1 370 . 1 1 A 67 67 ASP CB C 64 41.600 42.050 -0.450 2 1 371 . 1 1 A 67 67 ASP N N 64 118.200 119.093 -0.893 2 1 372 . 1 1 A 68 68 GLN H H 65 7.810 8.034 -0.224 2 1 373 . 1 1 A 68 68 GLN C C 65 177.400 178.727 -1.327 2 1 374 . 1 1 A 68 68 GLN CA C 65 58.600 58.807 -0.207 2 1 375 . 1 1 A 68 68 GLN CB C 65 27.900 28.051 -0.151 2 1 376 . 1 1 A 68 68 GLN N N 65 115.900 118.303 -2.403 2 1 377 . 1 1 A 69 69 LEU H H 66 8.590 8.025 0.565 2 1 378 . 1 1 A 69 69 LEU C C 66 178.700 178.768 -0.068 2 1 379 . 1 1 A 69 69 LEU CA C 66 57.400 57.594 -0.194 2 1 380 . 1 1 A 69 69 LEU CB C 66 41.000 41.574 -0.574 2 1 381 . 1 1 A 69 69 LEU N N 66 120.700 121.124 -0.424 2 1 382 . 1 1 A 70 70 LYS H H 67 8.720 8.222 0.498 2 1 383 . 1 1 A 70 70 LYS C C 67 179.800 179.676 0.124 2 1 384 . 1 1 A 70 70 LYS CA C 67 60.000 60.248 -0.248 2 1 385 . 1 1 A 70 70 LYS CB C 67 31.600 31.999 -0.399 2 1 386 . 1 1 A 70 70 LYS N N 67 119.500 118.444 1.056 2 1 387 . 1 1 A 71 71 LYS H H 68 7.900 7.540 0.360 2 1 388 . 1 1 A 71 71 LYS C C 68 179.000 179.067 -0.067 2 1 389 . 1 1 A 71 71 LYS CA C 68 59.500 59.811 -0.311 2 1 390 . 1 1 A 71 71 LYS CB C 68 31.000 31.984 -0.984 2 1 391 . 1 1 A 71 71 LYS N N 68 119.900 119.825 0.075 2 1 392 . 1 1 A 72 72 LYS H H 69 7.480 7.820 -0.340 2 1 393 . 1 1 A 72 72 LYS CA C 69 58.800 59.536 -0.736 2 1 394 . 1 1 A 72 72 LYS CB C 69 31.000 31.956 -0.956 2 1 395 . 1 1 A 72 72 LYS N N 69 120.600 120.977 -0.377 2 1 396 . 1 1 A 73 73 LEU H H 70 8.620 7.995 0.625 2 1 397 . 1 1 A 73 73 LEU C C 70 174.200 178.356 -4.156 2 1 398 . 1 1 A 73 73 LEU CA C 70 57.600 57.680 -0.080 2 1 399 . 1 1 A 73 73 LEU CB C 70 40.400 41.212 -0.812 2 1 403 . 1 1 A 73 73 LEU N N 70 122.100 120.720 1.380 2 1 404 . 1 1 A 74 74 ASN H H 71 8.040 8.101 -0.061 2 1 405 . 1 1 A 74 74 ASN C C 71 177.900 177.957 -0.057 2 1 406 . 1 1 A 74 74 ASN CA C 71 56.200 55.614 0.586 2 1 407 . 1 1 A 74 74 ASN CB C 71 38.500 38.381 0.119 2 1 408 . 1 1 A 74 74 ASN N N 71 116.400 117.330 -0.930 2 1 409 . 1 1 A 75 75 ILE H H 72 7.630 7.807 -0.177 2 1 410 . 1 1 A 75 75 ILE HA H 72 3.990 3.680 0.310 2 1 420 . 1 1 A 75 75 ILE C C 72 179.600 178.434 1.166 2 1 421 . 1 1 A 75 75 ILE CA C 72 64.200 65.231 -1.031 2 1 422 . 1 1 A 75 75 ILE CB C 72 37.200 37.933 -0.733 2 1 425 . 1 1 A 75 75 ILE N N 72 119.700 119.596 0.104 2 1 426 . 1 1 A 76 76 TRP H H 73 8.890 8.173 0.717 2 1 430 . 1 1 A 76 76 TRP C C 73 179.000 178.698 0.302 2 1 431 . 1 1 A 76 76 TRP CA C 73 59.000 61.297 -2.297 2 1 432 . 1 1 A 76 76 TRP CB C 73 29.100 29.912 -0.812 2 1 433 . 1 1 A 76 76 TRP N N 73 122.500 121.815 0.685 2 1 435 . 1 1 A 77 77 GLU H H 74 9.180 8.099 1.081 2 1 436 . 1 1 A 77 77 GLU C C 74 179.200 178.326 0.874 2 1 437 . 1 1 A 77 77 GLU CA C 74 59.800 58.393 1.407 2 1 438 . 1 1 A 77 77 GLU CB C 74 29.100 29.498 -0.398 2 1 439 . 1 1 A 77 77 GLU N N 74 118.500 118.790 -0.290 2 stop_ save_