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_