data_15912_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15912
_Entry.PDB_ID 2K79
_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.Best_conformer 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 13 . 1 2 2 B 4 4 ASN HA H 233 4.570 4.538 0.032 1
1 18 . 1 2 2 B 4 4 ASN C C 233 173.640 175.109 -1.469 1
1 19 . 1 2 2 B 4 4 ASN CA C 233 50.830 53.056 -2.226 1
1 20 . 1 2 2 B 4 4 ASN CB C 233 35.610 37.156 -1.546 1
1 22 . 1 2 2 B 5 5 LEU H H 234 8.320 7.825 0.495 1
1 23 . 1 2 2 B 5 5 LEU HA H 234 3.890 4.081 -0.191 1
1 33 . 1 2 2 B 5 5 LEU C C 234 174.320 177.844 -3.524 1
1 34 . 1 2 2 B 5 5 LEU CA C 234 53.910 54.671 -0.761 1
1 35 . 1 2 2 B 5 5 LEU CB C 234 37.740 41.650 -3.910 1
1 39 . 1 2 2 B 5 5 LEU N N 234 122.090 125.229 -3.139 1
1 40 . 1 2 2 B 6 6 GLU H H 235 8.090 7.848 0.242 1
1 41 . 1 2 2 B 6 6 GLU HA H 235 4.120 4.080 0.040 1
1 44 . 1 2 2 B 6 6 GLU C C 235 174.420 178.681 -4.261 1
1 45 . 1 2 2 B 6 6 GLU CA C 235 56.410 59.053 -2.643 1
1 46 . 1 2 2 B 6 6 GLU CB C 235 26.560 29.513 -2.953 1
1 48 . 1 2 2 B 6 6 GLU N N 235 113.760 119.543 -5.783 1
1 49 . 1 2 2 B 7 7 THR H H 236 7.360 7.294 0.066 1
1 50 . 1 2 2 B 7 7 THR HA H 236 3.880 3.904 -0.024 1
1 55 . 1 2 2 B 7 7 THR C C 236 171.230 174.637 -3.407 1
1 56 . 1 2 2 B 7 7 THR CA C 236 59.940 64.932 -4.992 1
1 57 . 1 2 2 B 7 7 THR CB C 236 66.570 67.892 -1.322 1
1 59 . 1 2 2 B 7 7 THR N N 236 108.790 110.323 -1.533 1
1 60 . 1 2 2 B 8 8 TYR H H 237 7.400 7.245 0.155 1
1 61 . 1 2 2 B 8 8 TYR HA H 237 3.960 4.436 -0.476 1
1 68 . 1 2 2 B 8 8 TYR CA C 237 55.580 57.699 -2.119 1
1 69 . 1 2 2 B 8 8 TYR CB C 237 35.130 38.888 -3.758 1
1 71 . 1 2 2 B 8 8 TYR N N 237 120.710 121.572 -0.862 1
1 72 . 1 2 2 B 9 9 GLU H H 238 9.040 8.414 0.626 1
1 73 . 1 2 2 B 9 9 GLU HA H 238 3.870 4.175 -0.305 1
1 76 . 1 2 2 B 9 9 GLU C C 238 172.110 178.865 -6.755 1
1 77 . 1 2 2 B 9 9 GLU CA C 238 55.760 58.852 -3.092 1
1 78 . 1 2 2 B 9 9 GLU CB C 238 26.890 30.227 -3.337 1
1 80 . 1 2 2 B 9 9 GLU N N 238 122.620 119.607 3.013 1
1 81 . 1 2 2 B 10 10 TRP H H 239 6.040 7.627 -1.587 1
1 82 . 1 2 2 B 10 10 TRP HA H 239 4.200 4.516 -0.316 1
1 91 . 1 2 2 B 10 10 TRP C C 239 173.790 176.340 -2.550 1
1 92 . 1 2 2 B 10 10 TRP CA C 239 50.570 60.007 -9.437 1
1 93 . 1 2 2 B 10 10 TRP CB C 239 27.270 28.409 -1.139 1
1 99 . 1 2 2 B 10 10 TRP N N 239 107.810 118.881 -11.071 1
1 101 . 1 2 2 B 11 11 TYR H H 240 7.320 7.337 -0.017 1
1 102 . 1 2 2 B 11 11 TYR HA H 240 5.410 4.629 0.781 1
1 109 . 1 2 2 B 11 11 TYR C C 240 171.740 174.725 -2.985 1
1 110 . 1 2 2 B 11 11 TYR CA C 240 54.010 59.364 -5.354 1
1 111 . 1 2 2 B 11 11 TYR CB C 240 35.210 38.666 -3.456 1
1 113 . 1 2 2 B 11 11 TYR N N 240 122.430 122.172 0.258 1
1 114 . 1 2 2 B 12 12 ASN H H 241 8.590 8.150 0.440 1
1 115 . 1 2 2 B 12 12 ASN HA H 241 4.600 5.020 -0.420 1
1 120 . 1 2 2 B 12 12 ASN C C 241 169.840 174.414 -4.574 1
1 121 . 1 2 2 B 12 12 ASN CA C 241 48.880 52.329 -3.449 1
1 122 . 1 2 2 B 12 12 ASN CB C 241 38.970 40.514 -1.544 1
1 123 . 1 2 2 B 12 12 ASN N N 241 128.140 126.220 1.920 1
1 125 . 1 2 2 B 13 13 LYS H H 242 7.410 8.583 -1.173 1
1 126 . 1 2 2 B 13 13 LYS HA H 242 3.710 3.966 -0.256 1
1 129 . 1 2 2 B 13 13 LYS C C 242 173.820 178.579 -4.759 1
1 130 . 1 2 2 B 13 13 LYS CA C 242 54.660 58.672 -4.012 1
1 131 . 1 2 2 B 13 13 LYS CB C 242 30.280 32.843 -2.563 1
1 135 . 1 2 2 B 13 13 LYS N N 242 121.870 123.697 -1.827 1
1 136 . 1 2 2 B 14 14 SER H H 243 8.290 7.911 0.379 1
1 137 . 1 2 2 B 14 14 SER HA H 243 4.170 4.297 -0.127 1
1 140 . 1 2 2 B 14 14 SER C C 243 171.390 174.421 -3.031 1
1 141 . 1 2 2 B 14 14 SER CA C 243 56.590 61.749 -5.159 1
1 142 . 1 2 2 B 14 14 SER CB C 243 59.830 63.008 -3.178 1
1 143 . 1 2 2 B 14 14 SER N N 243 115.140 114.594 0.546 1
1 144 . 1 2 2 B 15 15 ILE H H 244 7.450 7.273 0.177 1
1 145 . 1 2 2 B 15 15 ILE HA H 244 4.290 4.473 -0.183 1
1 155 . 1 2 2 B 15 15 ILE C C 244 171.830 174.803 -2.973 1
1 156 . 1 2 2 B 15 15 ILE CA C 244 57.870 60.285 -2.415 1
1 157 . 1 2 2 B 15 15 ILE CB C 244 37.170 39.707 -2.537 1
1 161 . 1 2 2 B 15 15 ILE N N 244 119.980 122.243 -2.263 1
1 162 . 1 2 2 B 16 16 SER H H 245 8.060 8.725 -0.665 1
1 163 . 1 2 2 B 16 16 SER HA H 245 4.400 4.691 -0.291 1
1 166 . 1 2 2 B 16 16 SER C C 245 171.580 175.785 -4.205 1
1 167 . 1 2 2 B 16 16 SER CA C 245 54.550 57.468 -2.918 1
1 168 . 1 2 2 B 16 16 SER CB C 245 62.900 64.383 -1.483 1
1 169 . 1 2 2 B 16 16 SER N N 245 121.640 123.543 -1.903 1
1 170 . 1 2 2 B 17 17 ARG H H 246 8.920 8.901 0.019 1
1 171 . 1 2 2 B 17 17 ARG HA H 246 3.430 3.979 -0.549 1
1 176 . 1 2 2 B 17 17 ARG C C 246 174.680 178.005 -3.325 1
1 177 . 1 2 2 B 17 17 ARG CA C 246 58.050 59.111 -1.061 1
1 178 . 1 2 2 B 17 17 ARG CB C 246 27.830 30.087 -2.257 1
1 181 . 1 2 2 B 17 17 ARG N N 246 122.060 124.504 -2.444 1
1 182 . 1 2 2 B 18 18 ASP H H 247 8.340 8.132 0.208 1
1 183 . 1 2 2 B 18 18 ASP HA H 247 4.170 4.405 -0.235 1
1 186 . 1 2 2 B 18 18 ASP C C 247 176.060 179.207 -3.147 1
1 187 . 1 2 2 B 18 18 ASP CA C 247 54.610 57.040 -2.430 1
1 188 . 1 2 2 B 18 18 ASP CB C 247 37.920 40.029 -2.109 1
1 189 . 1 2 2 B 18 18 ASP N N 247 115.490 119.954 -4.464 1
1 190 . 1 2 2 B 19 19 LYS H H 248 7.550 7.827 -0.277 1
1 191 . 1 2 2 B 19 19 LYS HA H 248 3.920 3.990 -0.070 1
1 194 . 1 2 2 B 19 19 LYS C C 248 175.700 179.421 -3.721 1
1 195 . 1 2 2 B 19 19 LYS CA C 248 55.920 59.056 -3.136 1
1 196 . 1 2 2 B 19 19 LYS CB C 248 29.450 32.308 -2.858 1
1 200 . 1 2 2 B 19 19 LYS N N 248 121.070 119.212 1.858 1
1 201 . 1 2 2 B 20 20 ALA H H 249 8.530 8.367 0.163 1
1 202 . 1 2 2 B 20 20 ALA HA H 249 3.730 3.995 -0.265 1
1 206 . 1 2 2 B 20 20 ALA C C 249 176.650 179.983 -3.333 1
1 207 . 1 2 2 B 20 20 ALA CA C 249 52.970 55.053 -2.083 1
1 208 . 1 2 2 B 20 20 ALA CB C 249 16.810 18.133 -1.323 1
1 209 . 1 2 2 B 20 20 ALA N N 249 121.970 121.940 0.030 1
1 210 . 1 2 2 B 21 21 GLU H H 250 8.250 7.785 0.465 1
1 211 . 1 2 2 B 21 21 GLU HA H 250 3.700 4.020 -0.320 1
1 216 . 1 2 2 B 21 21 GLU C C 250 174.890 179.115 -4.225 1
1 217 . 1 2 2 B 21 21 GLU CA C 250 58.320 59.537 -1.217 1
1 218 . 1 2 2 B 21 21 GLU CB C 250 26.210 29.597 -3.387 1
1 220 . 1 2 2 B 21 21 GLU N N 250 114.160 117.845 -3.685 1
1 221 . 1 2 2 B 22 22 LYS H H 251 7.450 7.496 -0.046 1
1 222 . 1 2 2 B 22 22 LYS HA H 251 3.820 4.014 -0.194 1
1 231 . 1 2 2 B 22 22 LYS C C 251 175.360 178.522 -3.162 1
1 232 . 1 2 2 B 22 22 LYS CA C 251 56.950 59.051 -2.101 1
1 233 . 1 2 2 B 22 22 LYS CB C 251 29.460 32.000 -2.540 1
1 237 . 1 2 2 B 22 22 LYS N N 251 118.150 118.986 -0.836 1
1 238 . 1 2 2 B 23 23 LEU H H 252 8.030 8.440 -0.410 1
1 239 . 1 2 2 B 23 23 LEU HA H 252 3.930 3.996 -0.066 1
1 249 . 1 2 2 B 23 23 LEU C C 252 177.950 178.263 -0.313 1
1 250 . 1 2 2 B 23 23 LEU CA C 252 55.130 58.127 -2.997 1
1 251 . 1 2 2 B 23 23 LEU CB C 252 39.770 41.309 -1.539 1
1 255 . 1 2 2 B 23 23 LEU N N 252 117.680 120.974 -3.294 1
1 256 . 1 2 2 B 24 24 LEU H H 253 8.050 7.765 0.285 1
1 257 . 1 2 2 B 24 24 LEU HA H 253 3.860 4.063 -0.203 1
1 267 . 1 2 2 B 24 24 LEU C C 253 176.660 178.929 -2.269 1
1 268 . 1 2 2 B 24 24 LEU CA C 253 55.480 57.795 -2.315 1
1 269 . 1 2 2 B 24 24 LEU CB C 253 40.010 40.908 -0.898 1
1 273 . 1 2 2 B 24 24 LEU N N 253 118.620 118.057 0.563 1
1 274 . 1 2 2 B 25 25 LEU H H 254 8.870 7.373 1.497 1
1 275 . 1 2 2 B 25 25 LEU HA H 254 3.870 3.216 0.654 1
1 285 . 1 2 2 B 25 25 LEU C C 254 177.120 178.020 -0.900 1
1 286 . 1 2 2 B 25 25 LEU CA C 254 55.680 57.858 -2.178 1
1 287 . 1 2 2 B 25 25 LEU CB C 254 39.040 41.242 -2.202 1
1 291 . 1 2 2 B 25 25 LEU N N 254 122.230 120.135 2.095 1
1 292 . 1 2 2 B 26 26 ASP H H 255 8.100 7.948 0.152 1
1 293 . 1 2 2 B 26 26 ASP HA H 255 4.170 4.331 -0.161 1
1 296 . 1 2 2 B 26 26 ASP C C 255 175.530 178.756 -3.226 1
1 297 . 1 2 2 B 26 26 ASP CA C 255 53.910 57.213 -3.303 1
1 298 . 1 2 2 B 26 26 ASP CB C 255 37.710 41.949 -4.239 1
1 299 . 1 2 2 B 26 26 ASP N N 255 117.450 119.198 -1.748 1
1 300 . 1 2 2 B 27 27 THR H H 256 7.240 7.594 -0.354 1
1 301 . 1 2 2 B 27 27 THR HA H 256 3.770 4.031 -0.261 1
1 306 . 1 2 2 B 27 27 THR C C 256 173.980 175.490 -1.510 1
1 307 . 1 2 2 B 27 27 THR CA C 256 63.070 65.962 -2.892 1
1 308 . 1 2 2 B 27 27 THR CB C 256 65.960 69.075 -3.115 1
1 310 . 1 2 2 B 27 27 THR N N 256 112.810 114.298 -1.488 1
1 311 . 1 2 2 B 28 28 GLY H H 257 7.010 8.423 -1.413 1
1 312 . 1 2 2 B 28 28 GLY HA2 H 257 3.390 4.004 -0.614 1
1 313 . 1 2 2 B 28 28 GLY HA3 H 257 2.860 4.188 -1.328 1
1 314 . 1 2 2 B 28 28 GLY C C 257 170.200 174.086 -3.886 1
1 315 . 1 2 2 B 28 28 GLY CA C 257 44.440 46.847 -2.407 1
1 316 . 1 2 2 B 28 28 GLY N N 257 105.330 109.638 -4.308 1
1 317 . 1 2 2 B 29 29 LYS H H 258 6.080 7.806 -1.726 1
1 318 . 1 2 2 B 29 29 LYS HA H 258 4.230 4.684 -0.454 1
1 323 . 1 2 2 B 29 29 LYS C C 258 171.230 174.784 -3.554 1
1 324 . 1 2 2 B 29 29 LYS CA C 258 51.550 53.970 -2.420 1
1 325 . 1 2 2 B 29 29 LYS CB C 258 32.520 35.923 -3.403 1
1 329 . 1 2 2 B 29 29 LYS N N 258 117.140 119.033 -1.893 1
1 330 . 1 2 2 B 30 30 GLU H H 259 8.670 8.566 0.104 1
1 331 . 1 2 2 B 30 30 GLU HA H 259 3.870 4.026 -0.156 1
1 332 . 1 2 2 B 30 30 GLU C C 259 174.320 177.085 -2.765 1
1 333 . 1 2 2 B 30 30 GLU CA C 259 55.300 57.217 -1.917 1
1 334 . 1 2 2 B 30 30 GLU CB C 259 27.420 29.487 -2.067 1
1 336 . 1 2 2 B 30 30 GLU N N 259 124.800 121.679 3.121 1
1 337 . 1 2 2 B 31 31 GLY H H 260 8.910 8.806 0.104 1
1 338 . 1 2 2 B 31 31 GLY HA2 H 260 4.330 3.970 0.360 1
1 339 . 1 2 2 B 31 31 GLY HA3 H 260 3.750 3.991 -0.241 1
1 340 . 1 2 2 B 31 31 GLY C C 260 173.320 174.522 -1.202 1
1 341 . 1 2 2 B 31 31 GLY CA C 260 44.370 45.033 -0.663 1
1 342 . 1 2 2 B 31 31 GLY N N 260 114.210 112.760 1.450 1
1 343 . 1 2 2 B 32 32 ALA H H 261 8.510 7.791 0.719 1
1 344 . 1 2 2 B 32 32 ALA HA H 261 5.600 4.601 0.999 1
1 348 . 1 2 2 B 32 32 ALA C C 261 174.140 177.440 -3.300 1
1 349 . 1 2 2 B 32 32 ALA CA C 261 49.600 52.852 -3.252 1
1 350 . 1 2 2 B 32 32 ALA CB C 261 16.040 19.317 -3.277 1
1 351 . 1 2 2 B 32 32 ALA N N 261 126.000 124.173 1.827 1
1 352 . 1 2 2 B 33 33 PHE H H 262 8.880 8.886 -0.006 1
1 353 . 1 2 2 B 33 33 PHE HA H 262 5.970 5.840 0.130 1
1 360 . 1 2 2 B 33 33 PHE C C 262 168.980 173.402 -4.422 1
1 361 . 1 2 2 B 33 33 PHE CA C 262 53.360 55.110 -1.750 1
1 362 . 1 2 2 B 33 33 PHE CB C 262 42.050 42.618 -0.568 1
1 363 . 1 2 2 B 33 33 PHE N N 262 120.080 120.465 -0.385 1
1 364 . 1 2 2 B 34 34 MET H H 263 8.670 9.380 -0.710 1
1 365 . 1 2 2 B 34 34 MET HA H 263 4.730 5.169 -0.439 1
1 373 . 1 2 2 B 34 34 MET C C 263 171.230 174.140 -2.910 1
1 374 . 1 2 2 B 34 34 MET CA C 263 52.100 54.187 -2.087 1
1 375 . 1 2 2 B 34 34 MET CB C 263 34.520 35.882 -1.362 1
1 378 . 1 2 2 B 34 34 MET N N 263 111.210 119.791 -8.581 1
1 379 . 1 2 2 B 35 35 VAL H H 264 9.280 9.220 0.060 1
1 380 . 1 2 2 B 35 35 VAL HA H 264 5.220 5.542 -0.322 1
1 388 . 1 2 2 B 35 35 VAL C C 264 170.560 174.553 -3.993 1
1 389 . 1 2 2 B 35 35 VAL CA C 264 58.920 60.276 -1.356 1
1 390 . 1 2 2 B 35 35 VAL CB C 264 31.070 35.842 -4.772 1
1 393 . 1 2 2 B 35 35 VAL N N 264 120.290 121.573 -1.283 1
1 394 . 1 2 2 B 36 36 ARG H H 265 9.470 9.387 0.083 1
1 395 . 1 2 2 B 36 36 ARG HA H 265 5.290 4.919 0.371 1
1 401 . 1 2 2 B 36 36 ARG C C 265 171.590 174.605 -3.015 1
1 402 . 1 2 2 B 36 36 ARG CA C 265 50.410 54.285 -3.875 1
1 403 . 1 2 2 B 36 36 ARG CB C 265 31.080 34.069 -2.989 1
1 406 . 1 2 2 B 36 36 ARG N N 265 124.120 125.189 -1.069 1
1 408 . 1 2 2 B 37 37 ASP H H 266 8.920 8.422 0.498 1
1 409 . 1 2 2 B 37 37 ASP HA H 266 4.800 4.703 0.097 1
1 412 . 1 2 2 B 37 37 ASP CA C 266 52.930 54.996 -2.066 1
1 413 . 1 2 2 B 37 37 ASP CB C 266 38.070 41.384 -3.314 1
1 414 . 1 2 2 B 37 37 ASP N N 266 122.280 127.666 -5.386 1
1 415 . 1 2 2 B 38 38 SER H H 267 8.060 8.990 -0.930 1
1 416 . 1 2 2 B 38 38 SER HA H 267 4.570 4.722 -0.152 1
1 417 . 1 2 2 B 38 38 SER C C 267 172.270 175.010 -2.740 1
1 418 . 1 2 2 B 38 38 SER CA C 267 53.700 56.501 -2.801 1
1 419 . 1 2 2 B 38 38 SER CB C 267 60.580 65.758 -5.178 1
1 420 . 1 2 2 B 38 38 SER N N 267 118.010 121.464 -3.454 1
1 421 . 1 2 2 B 39 39 ARG H H 268 8.890 8.672 0.218 1
1 422 . 1 2 2 B 39 39 ARG HA H 268 3.920 4.033 -0.113 1
1 423 . 1 2 2 B 39 39 ARG C C 268 175.360 177.669 -2.309 1
1 424 . 1 2 2 B 39 39 ARG CA C 268 56.090 59.849 -3.759 1
1 425 . 1 2 2 B 39 39 ARG CB C 268 27.500 30.193 -2.693 1
1 428 . 1 2 2 B 39 39 ARG N N 268 123.150 123.766 -0.616 1
1 429 . 1 2 2 B 40 40 THR H H 269 8.020 7.766 0.254 1
1 430 . 1 2 2 B 40 40 THR HA H 269 4.350 4.458 -0.108 1
1 435 . 1 2 2 B 40 40 THR CA C 269 57.740 61.401 -3.661 1
1 436 . 1 2 2 B 40 40 THR CB C 269 66.360 69.457 -3.097 1
1 438 . 1 2 2 B 40 40 THR N N 269 118.130 114.291 3.839 1
1 439 . 1 2 2 B 41 41 PRO HA H 270 4.290 4.638 -0.348 1
1 446 . 1 2 2 B 41 41 PRO C C 270 174.840 177.159 -2.319 1
1 447 . 1 2 2 B 41 41 PRO CA C 270 60.920 64.484 -3.564 1
1 448 . 1 2 2 B 41 41 PRO CB C 270 29.490 32.006 -2.516 1
1 451 . 1 2 2 B 42 42 GLY H H 271 8.460 8.268 0.192 1
1 452 . 1 2 2 B 42 42 GLY HA2 H 271 4.040 4.020 0.020 1
1 453 . 1 2 2 B 42 42 GLY HA3 H 271 3.510 4.129 -0.619 1
1 454 . 1 2 2 B 42 42 GLY C C 271 170.880 173.421 -2.541 1
1 455 . 1 2 2 B 42 42 GLY CA C 271 42.650 45.703 -3.053 1
1 456 . 1 2 2 B 42 42 GLY N N 271 111.140 106.624 4.516 1
1 457 . 1 2 2 B 43 43 THR H H 272 7.320 6.981 0.339 1
1 458 . 1 2 2 B 43 43 THR HA H 272 4.620 4.622 -0.002 1
1 463 . 1 2 2 B 43 43 THR C C 272 171.060 172.952 -1.892 1
1 464 . 1 2 2 B 43 43 THR CA C 272 57.680 61.385 -3.705 1
1 465 . 1 2 2 B 43 43 THR CB C 272 69.370 69.921 -0.551 1
1 467 . 1 2 2 B 43 43 THR N N 272 110.830 113.788 -2.958 1
1 468 . 1 2 2 B 44 44 TYR H H 273 9.560 7.995 1.565 1
1 469 . 1 2 2 B 44 44 TYR HA H 273 5.260 4.773 0.487 1
1 475 . 1 2 2 B 44 44 TYR C C 273 171.630 175.269 -3.639 1
1 476 . 1 2 2 B 44 44 TYR CA C 273 55.740 58.252 -2.512 1
1 477 . 1 2 2 B 44 44 TYR CB C 273 40.560 39.423 1.137 1
1 480 . 1 2 2 B 44 44 TYR N N 273 122.220 127.138 -4.918 1
1 481 . 1 2 2 B 45 45 THR H H 274 9.230 9.160 0.070 1
1 482 . 1 2 2 B 45 45 THR HA H 274 4.950 5.116 -0.166 1
1 487 . 1 2 2 B 45 45 THR C C 274 170.380 173.249 -2.869 1
1 488 . 1 2 2 B 45 45 THR CA C 274 59.190 61.432 -2.242 1
1 489 . 1 2 2 B 45 45 THR CB C 274 70.380 71.637 -1.257 1
1 491 . 1 2 2 B 45 45 THR N N 274 118.150 114.696 3.454 1
1 492 . 1 2 2 B 46 46 VAL H H 275 9.360 8.634 0.726 1
1 493 . 1 2 2 B 46 46 VAL HA H 275 4.880 4.700 0.180 1
1 495 . 1 2 2 B 46 46 VAL C C 275 171.920 175.350 -3.430 1
1 496 . 1 2 2 B 46 46 VAL CA C 275 58.370 62.203 -3.833 1
1 497 . 1 2 2 B 46 46 VAL CB C 275 30.940 31.163 -0.223 1
1 499 . 1 2 2 B 46 46 VAL N N 275 125.990 128.533 -2.543 1
1 500 . 1 2 2 B 47 47 SER H H 276 8.980 9.025 -0.045 1
1 501 . 1 2 2 B 47 47 SER HA H 276 5.500 4.695 0.805 1
1 504 . 1 2 2 B 47 47 SER C C 276 169.850 173.975 -4.125 1
1 505 . 1 2 2 B 47 47 SER CA C 276 55.840 58.263 -2.423 1
1 506 . 1 2 2 B 47 47 SER CB C 276 63.080 63.578 -0.498 1
1 507 . 1 2 2 B 47 47 SER N N 276 125.910 125.149 0.761 1
1 508 . 1 2 2 B 48 48 VAL H H 277 8.960 9.801 -0.841 1
1 509 . 1 2 2 B 48 48 VAL HA H 277 5.390 4.758 0.632 1
1 517 . 1 2 2 B 48 48 VAL C C 277 168.830 174.580 -5.750 1
1 518 . 1 2 2 B 48 48 VAL CA C 277 56.470 61.305 -4.835 1
1 519 . 1 2 2 B 48 48 VAL CB C 277 33.740 33.248 0.492 1
1 522 . 1 2 2 B 48 48 VAL N N 277 122.030 127.370 -5.340 1
1 523 . 1 2 2 B 49 49 PHE H H 278 8.910 9.532 -0.622 1
1 524 . 1 2 2 B 49 49 PHE HA H 278 4.930 5.297 -0.367 1
1 530 . 1 2 2 B 49 49 PHE C C 278 171.320 174.430 -3.110 1
1 531 . 1 2 2 B 49 49 PHE CA C 278 54.580 56.085 -1.505 1
1 532 . 1 2 2 B 49 49 PHE CB C 278 39.440 42.314 -2.874 1
1 533 . 1 2 2 B 49 49 PHE N N 278 128.410 128.389 0.021 1
1 534 . 1 2 2 B 50 50 THR H H 279 8.400 8.595 -0.195 1
1 535 . 1 2 2 B 50 50 THR HA H 279 4.740 4.309 0.431 1
1 540 . 1 2 2 B 50 50 THR C C 279 173.230 172.970 0.260 1
1 541 . 1 2 2 B 50 50 THR CA C 279 57.170 59.877 -2.707 1
1 542 . 1 2 2 B 50 50 THR CB C 279 68.460 72.040 -3.580 1
1 544 . 1 2 2 B 50 50 THR N N 279 121.700 120.610 1.090 1
1 545 . 1 2 2 B 51 51 LYS H H 280 10.380 8.253 2.127 1
1 546 . 1 2 2 B 51 51 LYS HA H 280 4.460 4.503 -0.043 1
1 549 . 1 2 2 B 51 51 LYS C C 280 171.580 176.160 -4.580 1
1 550 . 1 2 2 B 51 51 LYS CA C 280 53.640 56.882 -3.242 1
1 551 . 1 2 2 B 51 51 LYS CB C 280 29.780 32.019 -2.239 1
1 555 . 1 2 2 B 51 51 LYS N N 280 130.550 126.064 4.486 1
1 556 . 1 2 2 B 52 52 ALA H H 281 9.020 8.580 0.440 1
1 557 . 1 2 2 B 52 52 ALA HA H 281 3.750 4.630 -0.880 1
1 561 . 1 2 2 B 52 52 ALA C C 281 171.580 176.105 -4.525 1
1 562 . 1 2 2 B 52 52 ALA CA C 281 50.670 50.822 -0.152 1
1 563 . 1 2 2 B 52 52 ALA CB C 281 17.140 21.973 -4.833 1
1 564 . 1 2 2 B 52 52 ALA N N 281 122.130 126.572 -4.442 1
1 565 . 1 2 2 B 53 53 ILE H H 282 8.940 8.693 0.247 1
1 566 . 1 2 2 B 53 53 ILE HA H 282 3.990 4.031 -0.041 1
1 576 . 1 2 2 B 53 53 ILE C C 282 173.770 175.864 -2.094 1
1 577 . 1 2 2 B 53 53 ILE CA C 282 57.780 62.323 -4.543 1
1 578 . 1 2 2 B 53 53 ILE CB C 282 33.250 36.984 -3.734 1
1 582 . 1 2 2 B 53 53 ILE N N 282 121.660 115.564 6.096 1
1 583 . 1 2 2 B 54 54 ILE H H 283 8.040 8.499 -0.459 1
1 584 . 1 2 2 B 54 54 ILE HA H 283 3.960 4.062 -0.102 1
1 594 . 1 2 2 B 54 54 ILE C C 283 173.830 177.536 -3.706 1
1 595 . 1 2 2 B 54 54 ILE CA C 283 61.650 63.153 -1.503 1
1 596 . 1 2 2 B 54 54 ILE CB C 283 35.570 38.471 -2.901 1
1 600 . 1 2 2 B 54 54 ILE N N 283 126.980 127.887 -0.907 1
1 601 . 1 2 2 B 55 55 SER H H 284 7.620 7.876 -0.256 1
1 602 . 1 2 2 B 55 55 SER HA H 284 4.170 4.284 -0.114 1
1 605 . 1 2 2 B 55 55 SER C C 284 171.240 174.593 -3.353 1
1 606 . 1 2 2 B 55 55 SER CA C 284 56.290 61.166 -4.876 1
1 607 . 1 2 2 B 55 55 SER CB C 284 60.770 62.963 -2.193 1
1 608 . 1 2 2 B 55 55 SER N N 284 111.940 116.513 -4.573 1
1 609 . 1 2 2 B 56 56 GLU H H 285 7.330 7.831 -0.501 1
1 610 . 1 2 2 B 56 56 GLU HA H 285 4.100 4.768 -0.668 1
1 613 . 1 2 2 B 56 56 GLU C C 285 169.310 174.875 -5.565 1
1 614 . 1 2 2 B 56 56 GLU CA C 285 53.050 55.380 -2.330 1
1 615 . 1 2 2 B 56 56 GLU CB C 285 26.950 32.908 -5.958 1
1 617 . 1 2 2 B 56 56 GLU N N 285 124.640 119.108 5.532 1
1 618 . 1 2 2 B 57 57 ASN H H 286 7.980 9.032 -1.052 1
1 619 . 1 2 2 B 57 57 ASN HA H 286 4.860 5.427 -0.567 1
1 624 . 1 2 2 B 57 57 ASN CA C 286 46.360 50.430 -4.070 1
1 625 . 1 2 2 B 57 57 ASN CB C 286 37.400 41.636 -4.236 1
1 626 . 1 2 2 B 57 57 ASN N N 286 121.210 120.230 0.980 1
1 628 . 1 2 2 B 58 58 PRO HA H 287 4.800 4.836 -0.036 1
1 633 . 1 2 2 B 58 58 PRO C C 287 172.280 175.223 -2.943 1
1 634 . 1 2 2 B 58 58 PRO CA C 287 61.270 62.849 -1.579 1
1 635 . 1 2 2 B 58 58 PRO CB C 287 33.950 32.766 1.184 1
1 638 . 1 2 2 B 59 59 CYS H H 288 8.180 8.641 -0.461 1
1 639 . 1 2 2 B 59 59 CYS HA H 288 4.450 5.122 -0.672 1
1 642 . 1 2 2 B 59 59 CYS C C 288 168.670 173.223 -4.553 1
1 643 . 1 2 2 B 59 59 CYS CA C 288 54.210 57.586 -3.376 1
1 644 . 1 2 2 B 59 59 CYS CB C 288 27.480 31.501 -4.021 1
1 645 . 1 2 2 B 59 59 CYS N N 288 113.090 119.530 -6.440 1
1 646 . 1 2 2 B 60 60 ILE H H 289 8.160 8.653 -0.493 1
1 647 . 1 2 2 B 60 60 ILE HA H 289 4.770 4.666 0.104 1
1 657 . 1 2 2 B 60 60 ILE C C 289 173.140 174.342 -1.202 1
1 658 . 1 2 2 B 60 60 ILE CA C 289 55.020 59.856 -4.836 1
1 659 . 1 2 2 B 60 60 ILE CB C 289 34.090 39.050 -4.960 1
1 663 . 1 2 2 B 60 60 ILE N N 289 121.390 125.036 -3.646 1
1 664 . 1 2 2 B 61 61 LYS H H 290 8.600 9.466 -0.866 1
1 665 . 1 2 2 B 61 61 LYS HA H 290 4.210 4.573 -0.363 1
1 668 . 1 2 2 B 61 61 LYS C C 290 171.240 175.162 -3.922 1
1 669 . 1 2 2 B 61 61 LYS CA C 290 49.820 54.342 -4.522 1
1 670 . 1 2 2 B 61 61 LYS CB C 290 32.110 33.829 -1.719 1
1 674 . 1 2 2 B 61 61 LYS N N 290 125.550 127.453 -1.903 1
1 675 . 1 2 2 B 62 62 HIS H H 291 8.130 8.747 -0.617 1
1 676 . 1 2 2 B 62 62 HIS HA H 291 5.180 5.068 0.112 1
1 681 . 1 2 2 B 62 62 HIS C C 291 172.580 173.428 -0.848 1
1 682 . 1 2 2 B 62 62 HIS CA C 291 51.700 53.767 -2.067 1
1 683 . 1 2 2 B 62 62 HIS CB C 291 29.920 31.333 -1.413 1
1 686 . 1 2 2 B 62 62 HIS N N 291 120.780 121.641 -0.861 1
1 687 . 1 2 2 B 63 63 TYR H H 292 9.730 8.768 0.962 1
1 688 . 1 2 2 B 63 63 TYR HA H 292 4.770 4.895 -0.125 1
1 693 . 1 2 2 B 63 63 TYR C C 292 172.440 175.396 -2.956 1
1 694 . 1 2 2 B 63 63 TYR CA C 292 53.760 56.839 -3.079 1
1 695 . 1 2 2 B 63 63 TYR CB C 292 37.600 37.738 -0.138 1
1 697 . 1 2 2 B 63 63 TYR N N 292 123.200 124.330 -1.130 1
1 698 . 1 2 2 B 64 64 HIS H H 293 9.020 9.076 -0.056 1
1 699 . 1 2 2 B 64 64 HIS HA H 293 4.740 4.581 0.159 1
1 702 . 1 2 2 B 64 64 HIS C C 293 172.600 175.423 -2.823 1
1 703 . 1 2 2 B 64 64 HIS CA C 293 54.550 57.895 -3.345 1
1 704 . 1 2 2 B 64 64 HIS CB C 293 27.890 30.471 -2.581 1
1 707 . 1 2 2 B 64 64 HIS N N 293 125.350 126.192 -0.842 1
1 708 . 1 2 2 B 65 65 ILE H H 294 8.730 8.784 -0.054 1
1 709 . 1 2 2 B 65 65 ILE HA H 294 3.960 3.948 0.012 1
1 719 . 1 2 2 B 65 65 ILE C C 294 172.770 175.956 -3.186 1
1 720 . 1 2 2 B 65 65 ILE CA C 294 60.480 62.228 -1.748 1
1 721 . 1 2 2 B 65 65 ILE CB C 294 33.270 37.696 -4.426 1
1 725 . 1 2 2 B 65 65 ILE N N 294 125.050 125.868 -0.818 1
1 726 . 1 2 2 B 66 66 LYS H H 295 8.650 8.064 0.586 1
1 727 . 1 2 2 B 66 66 LYS HA H 295 4.110 4.147 -0.037 1
1 732 . 1 2 2 B 66 66 LYS C C 295 171.730 175.580 -3.850 1
1 733 . 1 2 2 B 66 66 LYS CA C 295 52.640 56.420 -3.780 1
1 734 . 1 2 2 B 66 66 LYS CB C 295 29.660 32.173 -2.513 1
1 738 . 1 2 2 B 66 66 LYS N N 295 131.840 127.459 4.381 1
1 739 . 1 2 2 B 67 67 GLU H H 296 7.900 8.604 -0.704 1
1 740 . 1 2 2 B 67 67 GLU HA H 296 5.290 5.047 0.243 1
1 743 . 1 2 2 B 67 67 GLU C C 296 176.050 175.197 0.853 1
1 744 . 1 2 2 B 67 67 GLU CA C 296 50.330 55.182 -4.852 1
1 745 . 1 2 2 B 67 67 GLU CB C 296 30.370 30.829 -0.459 1
1 747 . 1 2 2 B 67 67 GLU N N 296 115.760 124.619 -8.859 1
1 748 . 1 2 2 B 68 68 THR H H 297 8.550 9.254 -0.704 1
1 749 . 1 2 2 B 68 68 THR HA H 297 4.510 4.739 -0.229 1
1 754 . 1 2 2 B 68 68 THR C C 297 170.700 173.058 -2.358 1
1 755 . 1 2 2 B 68 68 THR CA C 297 57.680 60.425 -2.745 1
1 756 . 1 2 2 B 68 68 THR CB C 297 67.660 69.401 -1.741 1
1 758 . 1 2 2 B 68 68 THR N N 297 113.320 122.384 -9.064 1
1 759 . 1 2 2 B 69 69 ASN H H 298 8.340 8.899 -0.559 1
1 760 . 1 2 2 B 69 69 ASN HA H 298 4.820 4.665 0.155 1
1 765 . 1 2 2 B 69 69 ASN C C 298 173.110 174.036 -0.926 1
1 766 . 1 2 2 B 69 69 ASN CA C 298 49.830 53.285 -3.455 1
1 767 . 1 2 2 B 69 69 ASN CB C 298 35.370 38.369 -2.999 1
1 768 . 1 2 2 B 69 69 ASN N N 298 114.860 128.084 -13.224 1
1 770 . 1 2 2 B 70 70 ASP H H 299 7.090 8.381 -1.291 1
1 771 . 1 2 2 B 70 70 ASP HA H 299 4.300 5.188 -0.888 1
1 774 . 1 2 2 B 70 70 ASP C C 299 170.730 174.472 -3.742 1
1 775 . 1 2 2 B 70 70 ASP CA C 299 51.970 52.529 -0.559 1
1 776 . 1 2 2 B 70 70 ASP CB C 299 41.330 43.682 -2.352 1
1 777 . 1 2 2 B 70 70 ASP N N 299 117.020 126.148 -9.128 1
1 778 . 1 2 2 B 71 71 SER H H 300 8.140 8.521 -0.381 1
1 779 . 1 2 2 B 71 71 SER HA H 300 4.540 4.826 -0.286 1
1 782 . 1 2 2 B 71 71 SER CA C 300 51.670 55.961 -4.291 1
1 783 . 1 2 2 B 71 71 SER CB C 300 61.600 63.395 -1.795 1
1 784 . 1 2 2 B 71 71 SER N N 300 112.940 115.562 -2.622 1
1 785 . 1 2 2 B 72 72 PRO HA H 301 4.650 4.437 0.213 1
1 792 . 1 2 2 B 72 72 PRO C C 301 172.750 176.919 -4.169 1
1 793 . 1 2 2 B 72 72 PRO CA C 301 60.310 65.086 -4.776 1
1 794 . 1 2 2 B 72 72 PRO CB C 301 32.140 31.620 0.520 1
1 797 . 1 2 2 B 73 73 LYS H H 302 8.080 8.204 -0.124 1
1 798 . 1 2 2 B 73 73 LYS HA H 302 3.520 4.015 -0.495 1
1 801 . 1 2 2 B 73 73 LYS C C 302 172.790 175.944 -3.154 1
1 802 . 1 2 2 B 73 73 LYS CA C 302 55.510 57.164 -1.654 1
1 803 . 1 2 2 B 73 73 LYS CB C 302 30.920 31.272 -0.352 1
1 807 . 1 2 2 B 73 73 LYS N N 302 119.220 117.089 2.131 1
1 808 . 1 2 2 B 74 74 ARG H H 303 7.270 8.429 -1.159 1
1 809 . 1 2 2 B 74 74 ARG HA H 303 4.460 4.736 -0.276 1
1 815 . 1 2 2 B 74 74 ARG C C 303 171.920 175.351 -3.431 1
1 816 . 1 2 2 B 74 74 ARG CA C 303 51.910 56.379 -4.469 1
1 817 . 1 2 2 B 74 74 ARG CB C 303 30.530 32.140 -1.610 1
1 820 . 1 2 2 B 74 74 ARG N N 303 119.540 118.722 0.818 1
1 822 . 1 2 2 B 75 75 TYR H H 304 8.790 7.580 1.210 1
1 823 . 1 2 2 B 75 75 TYR HA H 304 5.710 5.158 0.552 1
1 830 . 1 2 2 B 75 75 TYR C C 304 172.790 175.321 -2.531 1
1 831 . 1 2 2 B 75 75 TYR CA C 304 54.920 56.653 -1.733 1
1 832 . 1 2 2 B 75 75 TYR CB C 304 40.830 40.259 0.571 1
1 833 . 1 2 2 B 75 75 TYR N N 304 115.290 119.528 -4.238 1
1 834 . 1 2 2 B 76 76 TYR H H 305 8.820 8.649 0.171 1
1 835 . 1 2 2 B 76 76 TYR HA H 305 5.190 5.486 -0.296 1
1 842 . 1 2 2 B 76 76 TYR C C 305 170.420 173.986 -3.566 1
1 843 . 1 2 2 B 76 76 TYR CA C 305 55.340 56.911 -1.571 1
1 844 . 1 2 2 B 76 76 TYR CB C 305 38.670 40.244 -1.574 1
1 847 . 1 2 2 B 76 76 TYR N N 305 116.190 119.599 -3.409 1
1 848 . 1 2 2 B 77 77 VAL H H 306 9.900 9.109 0.791 1
1 849 . 1 2 2 B 77 77 VAL HA H 306 4.490 4.504 -0.014 1
1 857 . 1 2 2 B 77 77 VAL C C 306 173.060 175.232 -2.172 1
1 858 . 1 2 2 B 77 77 VAL CA C 306 59.740 60.906 -1.166 1
1 859 . 1 2 2 B 77 77 VAL CB C 306 30.880 31.937 -1.057 1
1 862 . 1 2 2 B 77 77 VAL N N 306 114.390 116.871 -2.481 1
1 863 . 1 2 2 B 78 78 ALA H H 307 9.310 8.761 0.549 1
1 864 . 1 2 2 B 78 78 ALA HA H 307 4.690 4.512 0.178 1
1 868 . 1 2 2 B 78 78 ALA C C 307 174.130 178.241 -4.111 1
1 869 . 1 2 2 B 78 78 ALA CA C 307 48.680 52.324 -3.644 1
1 870 . 1 2 2 B 78 78 ALA CB C 307 19.040 21.567 -2.527 1
1 871 . 1 2 2 B 78 78 ALA N N 307 128.320 126.877 1.443 1
1 872 . 1 2 2 B 79 79 GLU H H 308 8.740 8.855 -0.115 1
1 873 . 1 2 2 B 79 79 GLU HA H 308 3.050 3.691 -0.641 1
1 876 . 1 2 2 B 79 79 GLU C C 308 173.390 175.732 -2.342 1
1 877 . 1 2 2 B 79 79 GLU CA C 308 56.920 57.808 -0.888 1
1 878 . 1 2 2 B 79 79 GLU CB C 308 26.880 27.492 -0.612 1
1 880 . 1 2 2 B 79 79 GLU N N 308 121.570 114.636 6.934 1
1 881 . 1 2 2 B 80 80 LYS H H 309 7.760 8.147 -0.387 1
1 882 . 1 2 2 B 80 80 LYS HA H 309 3.540 4.008 -0.468 1
1 887 . 1 2 2 B 80 80 LYS C C 309 172.950 175.439 -2.489 1
1 888 . 1 2 2 B 80 80 LYS CA C 309 55.010 57.897 -2.887 1
1 889 . 1 2 2 B 80 80 LYS CB C 309 29.500 32.282 -2.782 1
1 893 . 1 2 2 B 80 80 LYS N N 309 113.690 118.741 -5.051 1
1 894 . 1 2 2 B 81 81 TYR H H 310 7.780 7.779 0.001 1
1 895 . 1 2 2 B 81 81 TYR HA H 310 4.260 5.051 -0.791 1
1 902 . 1 2 2 B 81 81 TYR C C 310 168.930 174.759 -5.829 1
1 903 . 1 2 2 B 81 81 TYR CA C 310 54.230 56.431 -2.201 1
1 904 . 1 2 2 B 81 81 TYR CB C 310 36.270 40.871 -4.601 1
1 907 . 1 2 2 B 81 81 TYR N N 310 120.570 115.355 5.215 1
1 908 . 1 2 2 B 82 82 VAL H H 311 7.180 8.376 -1.196 1
1 909 . 1 2 2 B 82 82 VAL HA H 311 4.600 4.764 -0.164 1
1 917 . 1 2 2 B 82 82 VAL C C 311 172.950 174.515 -1.565 1
1 918 . 1 2 2 B 82 82 VAL CA C 311 57.520 60.861 -3.341 1
1 919 . 1 2 2 B 82 82 VAL CB C 311 30.970 34.910 -3.940 1
1 922 . 1 2 2 B 82 82 VAL N N 311 120.960 120.281 0.679 1
1 923 . 1 2 2 B 83 83 PHE H H 312 9.280 9.781 -0.501 1
1 924 . 1 2 2 B 83 83 PHE HA H 312 4.810 5.109 -0.299 1
1 932 . 1 2 2 B 83 83 PHE C C 312 173.980 175.565 -1.585 1
1 933 . 1 2 2 B 83 83 PHE CA C 312 54.990 56.047 -1.057 1
1 934 . 1 2 2 B 83 83 PHE CB C 312 43.140 42.722 0.418 1
1 935 . 1 2 2 B 83 83 PHE N N 312 121.080 125.031 -3.951 1
1 936 . 1 2 2 B 84 84 ASP H H 313 9.160 9.281 -0.121 1
1 937 . 1 2 2 B 84 84 ASP HA H 313 4.570 4.733 -0.163 1
1 939 . 1 2 2 B 84 84 ASP C C 313 172.950 175.930 -2.980 1
1 940 . 1 2 2 B 84 84 ASP CA C 313 53.940 54.496 -0.556 1
1 941 . 1 2 2 B 84 84 ASP CB C 313 38.640 41.949 -3.309 1
1 942 . 1 2 2 B 84 84 ASP N N 313 117.870 123.153 -5.283 1
1 943 . 1 2 2 B 85 85 SER H H 314 7.590 8.004 -0.414 1
1 944 . 1 2 2 B 85 85 SER HA H 314 4.710 5.039 -0.329 1
1 947 . 1 2 2 B 85 85 SER C C 314 170.010 174.277 -4.267 1
1 948 . 1 2 2 B 85 85 SER CA C 314 53.690 56.760 -3.070 1
1 949 . 1 2 2 B 85 85 SER CB C 314 63.900 65.671 -1.771 1
1 950 . 1 2 2 B 85 85 SER N N 314 110.490 113.543 -3.053 1
1 951 . 1 2 2 B 86 86 ILE H H 315 8.920 9.141 -0.221 1
1 952 . 1 2 2 B 86 86 ILE HA H 315 3.480 3.886 -0.406 1
1 962 . 1 2 2 B 86 86 ILE CA C 315 63.970 66.084 -2.114 1
1 963 . 1 2 2 B 86 86 ILE CB C 315 32.780 35.317 -2.537 1
1 967 . 1 2 2 B 86 86 ILE N N 315 120.570 129.051 -8.481 1
1 968 . 1 2 2 B 87 87 PRO HA H 316 3.850 3.968 -0.118 1
1 975 . 1 2 2 B 87 87 PRO C C 316 176.030 179.417 -3.387 1
1 976 . 1 2 2 B 87 87 PRO CA C 316 64.140 66.041 -1.901 1
1 977 . 1 2 2 B 87 87 PRO CB C 316 28.290 30.842 -2.552 1
1 980 . 1 2 2 B 88 88 LEU H H 317 7.200 7.666 -0.466 1
1 981 . 1 2 2 B 88 88 LEU HA H 317 3.860 3.872 -0.012 1
1 991 . 1 2 2 B 88 88 LEU C C 317 175.370 178.813 -3.443 1
1 992 . 1 2 2 B 88 88 LEU CA C 317 55.370 57.564 -2.194 1
1 993 . 1 2 2 B 88 88 LEU CB C 317 39.260 41.710 -2.450 1
1 997 . 1 2 2 B 88 88 LEU N N 317 116.410 116.534 -0.124 1
1 998 . 1 2 2 B 89 89 LEU H H 318 7.110 7.932 -0.822 1
1 999 . 1 2 2 B 89 89 LEU HA H 318 2.530 3.371 -0.841 1
1 1009 . 1 2 2 B 89 89 LEU C C 318 175.190 178.612 -3.422 1
1 1010 . 1 2 2 B 89 89 LEU CA C 318 55.390 57.719 -2.329 1
1 1011 . 1 2 2 B 89 89 LEU CB C 318 40.270 41.515 -1.245 1
1 1015 . 1 2 2 B 89 89 LEU N N 318 124.140 119.507 4.633 1
1 1016 . 1 2 2 B 90 90 ILE H H 319 7.880 7.543 0.337 1
1 1017 . 1 2 2 B 90 90 ILE HA H 319 2.950 3.148 -0.198 1
1 1027 . 1 2 2 B 90 90 ILE C C 319 174.550 178.071 -3.521 1
1 1028 . 1 2 2 B 90 90 ILE CA C 319 58.340 64.116 -5.776 1
1 1029 . 1 2 2 B 90 90 ILE CB C 319 31.920 36.449 -4.529 1
1 1033 . 1 2 2 B 90 90 ILE N N 319 119.220 119.269 -0.049 1
1 1034 . 1 2 2 B 91 91 GLN H H 320 7.730 7.571 0.159 1
1 1035 . 1 2 2 B 91 91 GLN HA H 320 3.960 3.944 0.016 1
1 1042 . 1 2 2 B 91 91 GLN C C 320 175.910 177.873 -1.963 1
1 1043 . 1 2 2 B 91 91 GLN CA C 320 56.230 58.765 -2.535 1
1 1044 . 1 2 2 B 91 91 GLN CB C 320 26.130 28.488 -2.358 1
1 1046 . 1 2 2 B 91 91 GLN N N 320 116.670 118.578 -1.908 1
1 1048 . 1 2 2 B 92 92 TYR H H 321 7.520 8.101 -0.581 1
1 1049 . 1 2 2 B 92 92 TYR HA H 321 3.830 4.182 -0.352 1
1 1056 . 1 2 2 B 92 92 TYR C C 321 176.260 177.342 -1.082 1
1 1057 . 1 2 2 B 92 92 TYR CA C 321 59.830 61.364 -1.534 1
1 1058 . 1 2 2 B 92 92 TYR CB C 321 36.420 38.306 -1.886 1
1 1059 . 1 2 2 B 92 92 TYR N N 321 118.630 121.712 -3.082 1
1 1060 . 1 2 2 B 93 93 HIS H H 322 7.620 7.649 -0.029 1
1 1061 . 1 2 2 B 93 93 HIS HA H 322 4.500 3.622 0.878 1
1 1067 . 1 2 2 B 93 93 HIS C C 322 172.600 177.184 -4.584 1
1 1068 . 1 2 2 B 93 93 HIS CA C 322 55.380 58.567 -3.187 1
1 1069 . 1 2 2 B 93 93 HIS CB C 322 25.270 28.640 -3.370 1
1 1072 . 1 2 2 B 93 93 HIS N N 322 116.830 117.193 -0.363 1
1 1073 . 1 2 2 B 94 94 GLN H H 323 7.600 7.701 -0.101 1
1 1074 . 1 2 2 B 94 94 GLN HA H 323 4.370 3.979 0.391 1
1 1080 . 1 2 2 B 94 94 GLN C C 323 174.350 175.064 -0.714 1
1 1081 . 1 2 2 B 94 94 GLN CA C 323 54.900 58.310 -3.410 1
1 1082 . 1 2 2 B 94 94 GLN CB C 323 27.470 28.627 -1.157 1
1 1084 . 1 2 2 B 94 94 GLN N N 323 119.350 119.097 0.253 1
1 1086 . 1 2 2 B 95 95 TYR H H 324 6.760 7.481 -0.721 1
1 1087 . 1 2 2 B 95 95 TYR HA H 324 4.280 4.791 -0.511 1
1 1092 . 1 2 2 B 95 95 TYR C C 324 172.070 175.386 -3.316 1
1 1093 . 1 2 2 B 95 95 TYR CA C 324 55.700 57.873 -2.173 1
1 1094 . 1 2 2 B 95 95 TYR CB C 324 37.540 39.786 -2.246 1
1 1097 . 1 2 2 B 95 95 TYR N N 324 115.090 117.250 -2.160 1
1 1098 . 1 2 2 B 96 96 ASN H H 325 7.540 8.967 -1.427 1
1 1099 . 1 2 2 B 96 96 ASN HA H 325 4.470 4.467 0.003 1
1 1104 . 1 2 2 B 96 96 ASN C C 325 170.690 174.887 -4.197 1
1 1105 . 1 2 2 B 96 96 ASN CA C 325 49.330 55.163 -5.833 1
1 1106 . 1 2 2 B 96 96 ASN CB C 325 38.700 37.342 1.358 1
1 1107 . 1 2 2 B 96 96 ASN N N 325 117.890 120.738 -2.848 1
1 1109 . 1 2 2 B 97 97 GLY H H 326 8.660 8.193 0.467 1
1 1110 . 1 2 2 B 97 97 GLY C C 326 173.560 172.093 1.467 1
1 1111 . 1 2 2 B 97 97 GLY CA C 326 43.820 45.134 -1.314 1
1 1112 . 1 2 2 B 97 97 GLY N N 326 109.780 108.612 1.168 1
1 1113 . 1 2 2 B 98 98 GLY H H 327 8.180 8.807 -0.627 1
1 1114 . 1 2 2 B 98 98 GLY HA2 H 327 4.320 3.765 0.555 1
1 1115 . 1 2 2 B 98 98 GLY HA3 H 327 3.690 4.423 -0.733 1
1 1116 . 1 2 2 B 98 98 GLY C C 327 170.780 174.560 -3.780 1
1 1117 . 1 2 2 B 98 98 GLY CA C 327 43.900 44.247 -0.347 1
1 1118 . 1 2 2 B 98 98 GLY N N 327 107.410 111.323 -3.913 1
1 1119 . 1 2 2 B 99 99 GLY H H 328 8.230 9.026 -0.796 1
1 1120 . 1 2 2 B 99 99 GLY HA2 H 328 4.210 3.945 0.265 1
1 1121 . 1 2 2 B 99 99 GLY HA3 H 328 3.640 3.989 -0.349 1
1 1122 . 1 2 2 B 99 99 GLY C C 328 172.370 173.368 -0.998 1
1 1123 . 1 2 2 B 99 99 GLY CA C 328 42.400 46.642 -4.242 1
1 1124 . 1 2 2 B 99 99 GLY N N 328 106.610 108.149 -1.539 1
1 1125 . 1 2 2 B 100 100 LEU H H 329 7.630 7.121 0.509 1
1 1126 . 1 2 2 B 100 100 LEU HA H 329 4.140 4.554 -0.414 1
1 1136 . 1 2 2 B 100 100 LEU C C 329 175.380 176.911 -1.531 1
1 1137 . 1 2 2 B 100 100 LEU CA C 329 51.300 52.990 -1.690 1
1 1138 . 1 2 2 B 100 100 LEU CB C 329 40.310 45.061 -4.751 1
1 1142 . 1 2 2 B 100 100 LEU N N 329 119.240 120.151 -0.911 1
1 1143 . 1 2 2 B 101 101 VAL H H 330 7.410 8.542 -1.132 1
1 1144 . 1 2 2 B 101 101 VAL HA H 330 3.790 3.932 -0.142 1
1 1149 . 1 2 2 B 101 101 VAL CA C 330 60.940 64.439 -3.499 1
1 1150 . 1 2 2 B 101 101 VAL CB C 330 29.280 31.691 -2.411 1
1 1152 . 1 2 2 B 101 101 VAL N N 330 114.840 125.339 -10.499 1
1 1153 . 1 2 2 B 102 102 THR H H 331 6.940 7.455 -0.515 1
1 1154 . 1 2 2 B 102 102 THR HA H 331 4.210 4.551 -0.341 1
1 1159 . 1 2 2 B 102 102 THR C C 331 168.210 174.032 -5.822 1
1 1160 . 1 2 2 B 102 102 THR CA C 331 56.880 60.965 -4.085 1
1 1161 . 1 2 2 B 102 102 THR CB C 331 67.300 70.438 -3.138 1
1 1163 . 1 2 2 B 102 102 THR N N 331 112.880 107.996 4.884 1
1 1164 . 1 2 2 B 103 103 ARG H H 332 7.400 7.897 -0.497 1
1 1165 . 1 2 2 B 103 103 ARG HA H 332 3.970 3.997 -0.027 1
1 1168 . 1 2 2 B 103 103 ARG C C 332 172.790 175.346 -2.556 1
1 1169 . 1 2 2 B 103 103 ARG CA C 332 53.460 56.390 -2.930 1
1 1170 . 1 2 2 B 103 103 ARG CB C 332 28.780 29.066 -0.286 1
1 1173 . 1 2 2 B 103 103 ARG N N 332 120.120 118.243 1.877 1
1 1174 . 1 2 2 B 104 104 LEU H H 333 7.340 7.891 -0.551 1
1 1175 . 1 2 2 B 104 104 LEU HA H 333 3.610 4.025 -0.415 1
1 1185 . 1 2 2 B 104 104 LEU C C 333 172.260 176.634 -4.374 1
1 1186 . 1 2 2 B 104 104 LEU CA C 333 50.830 55.750 -4.920 1
1 1187 . 1 2 2 B 104 104 LEU CB C 333 34.160 41.517 -7.357 1
1 1191 . 1 2 2 B 104 104 LEU N N 333 119.700 125.040 -5.340 1
1 1192 . 1 2 2 B 105 105 ARG H H 334 8.190 8.832 -0.642 1
1 1193 . 1 2 2 B 105 105 ARG HA H 334 4.110 4.429 -0.319 1
1 1194 . 1 2 2 B 105 105 ARG C C 334 174.150 175.087 -0.937 1
1 1195 . 1 2 2 B 105 105 ARG CA C 334 55.210 56.678 -1.468 1
1 1196 . 1 2 2 B 105 105 ARG CB C 334 31.200 33.475 -2.275 1
1 1199 . 1 2 2 B 105 105 ARG N N 334 122.270 125.630 -3.360 1
1 1200 . 1 2 2 B 106 106 TYR H H 335 7.600 7.867 -0.267 1
1 1201 . 1 2 2 B 106 106 TYR HA H 335 5.160 4.888 0.272 1
1 1206 . 1 2 2 B 106 106 TYR CA C 335 51.850 56.262 -4.412 1
1 1207 . 1 2 2 B 106 106 TYR CB C 335 37.710 39.930 -2.220 1
1 1208 . 1 2 2 B 106 106 TYR N N 335 117.950 118.541 -0.591 1
1 1209 . 1 2 2 B 107 107 PRO HA H 336 3.490 3.508 -0.018 1
1 1216 . 1 2 2 B 107 107 PRO C C 336 173.810 175.665 -1.855 1
1 1217 . 1 2 2 B 107 107 PRO CA C 336 59.540 62.130 -2.590 1
1 1218 . 1 2 2 B 107 107 PRO CB C 336 30.100 32.184 -2.084 1
1 1221 . 1 2 2 B 108 108 VAL H H 337 8.160 7.758 0.402 1
1 1222 . 1 2 2 B 108 108 VAL HA H 337 3.940 4.713 -0.773 1
1 1230 . 1 2 2 B 108 108 VAL C C 337 171.050 174.357 -3.307 1
1 1231 . 1 2 2 B 108 108 VAL CA C 337 59.380 60.353 -0.973 1
1 1232 . 1 2 2 B 108 108 VAL CB C 337 30.660 35.445 -4.785 1
1 1235 . 1 2 2 B 108 108 VAL N N 337 124.780 120.080 4.700 1
1 1236 . 1 2 2 B 109 109 CYS H H 338 8.200 8.890 -0.690 1
1 1237 . 1 2 2 B 109 109 CYS HA H 338 4.630 5.199 -0.569 1
1 1240 . 1 2 2 B 109 109 CYS C C 338 172.430 174.525 -2.095 1
1 1241 . 1 2 2 B 109 109 CYS CA C 338 54.830 57.308 -2.478 1
1 1242 . 1 2 2 B 109 109 CYS CB C 338 26.090 30.866 -4.776 1
1 1243 . 1 2 2 B 109 109 CYS N N 338 124.320 125.151 -0.831 1
2 4 . 1 1 1 A 2 2 SER HA H 170 4.480 4.138 0.342 1
2 5 . 1 1 1 A 2 2 SER CA C 170 53.340 58.788 -5.448 1
2 6 . 1 1 1 A 2 2 SER CB C 170 61.220 61.957 -0.737 1
2 7 . 1 1 1 A 3 3 PRO HA H 171 4.280 4.360 -0.080 1
2 12 . 1 1 1 A 3 3 PRO C C 171 174.290 176.958 -2.668 1
2 13 . 1 1 1 A 3 3 PRO CA C 171 61.250 65.410 -4.160 1
2 14 . 1 1 1 A 3 3 PRO CB C 171 29.410 31.304 -1.894 1
2 17 . 1 1 1 A 4 4 GLU H H 172 8.320 8.351 -0.031 1
2 18 . 1 1 1 A 4 4 GLU HA H 172 4.080 4.437 -0.357 1
2 23 . 1 1 1 A 4 4 GLU C C 172 173.560 176.073 -2.513 1
2 24 . 1 1 1 A 4 4 GLU CA C 172 54.430 57.282 -2.852 1
2 25 . 1 1 1 A 4 4 GLU CB C 172 27.260 32.727 -5.467 1
2 27 . 1 1 1 A 4 4 GLU N N 172 119.350 115.861 3.489 1
2 28 . 1 1 1 A 5 5 GLU H H 173 8.030 8.169 -0.139 1
2 29 . 1 1 1 A 5 5 GLU HA H 173 4.250 5.029 -0.779 1
2 32 . 1 1 1 A 5 5 GLU C C 173 173.220 174.210 -0.990 1
2 33 . 1 1 1 A 5 5 GLU CA C 173 54.390 54.761 -0.371 1
2 34 . 1 1 1 A 5 5 GLU CB C 173 28.110 33.233 -5.123 1
2 36 . 1 1 1 A 5 5 GLU N N 173 120.550 116.496 4.054 1
2 37 . 1 1 1 A 6 6 THR H H 174 8.550 8.788 -0.238 1
2 38 . 1 1 1 A 6 6 THR HA H 174 4.270 4.916 -0.646 1
2 43 . 1 1 1 A 6 6 THR C C 174 170.170 172.506 -2.336 1
2 44 . 1 1 1 A 6 6 THR CA C 174 59.950 59.481 0.469 1
2 45 . 1 1 1 A 6 6 THR CB C 174 67.500 71.543 -4.043 1
2 47 . 1 1 1 A 6 6 THR N N 174 119.000 114.961 4.039 1
2 48 . 1 1 1 A 7 7 LEU H H 175 8.430 8.646 -0.216 1
2 49 . 1 1 1 A 7 7 LEU HA H 175 5.060 5.332 -0.272 1
2 59 . 1 1 1 A 7 7 LEU C C 175 174.370 176.072 -1.702 1
2 60 . 1 1 1 A 7 7 LEU CA C 175 51.340 53.339 -1.999 1
2 61 . 1 1 1 A 7 7 LEU CB C 175 41.990 44.641 -2.651 1
2 65 . 1 1 1 A 7 7 LEU N N 175 127.130 123.771 3.359 1
2 66 . 1 1 1 A 8 8 VAL H H 176 9.200 8.934 0.266 1
2 67 . 1 1 1 A 8 8 VAL HA H 176 5.110 5.313 -0.203 1
2 75 . 1 1 1 A 8 8 VAL C C 176 170.920 174.626 -3.706 1
2 76 . 1 1 1 A 8 8 VAL CA C 176 55.440 59.285 -3.845 1
2 77 . 1 1 1 A 8 8 VAL CB C 176 33.010 35.667 -2.657 1
2 80 . 1 1 1 A 8 8 VAL N N 176 114.510 117.405 -2.895 1
2 81 . 1 1 1 A 9 9 ILE H H 177 9.260 8.212 1.048 1
2 82 . 1 1 1 A 9 9 ILE HA H 177 5.000 5.065 -0.065 1
2 92 . 1 1 1 A 9 9 ILE C C 177 173.310 174.960 -1.650 1
2 93 . 1 1 1 A 9 9 ILE CA C 177 56.040 59.809 -3.769 1
2 94 . 1 1 1 A 9 9 ILE CB C 177 38.730 42.194 -3.464 1
2 98 . 1 1 1 A 9 9 ILE N N 177 120.630 121.748 -1.118 1
2 99 . 1 1 1 A 10 10 ALA H H 178 8.140 8.492 -0.352 1
2 100 . 1 1 1 A 10 10 ALA HA H 178 5.020 4.747 0.273 1
2 104 . 1 1 1 A 10 10 ALA C C 178 176.100 178.181 -2.081 1
2 105 . 1 1 1 A 10 10 ALA CA C 178 48.680 51.900 -3.220 1
2 106 . 1 1 1 A 10 10 ALA CB C 178 17.410 19.050 -1.640 1
2 107 . 1 1 1 A 10 10 ALA N N 178 125.350 128.303 -2.953 1
2 108 . 1 1 1 A 11 11 LEU H H 179 9.270 8.578 0.692 1
2 109 . 1 1 1 A 11 11 LEU HA H 179 3.820 3.910 -0.090 1
2 119 . 1 1 1 A 11 11 LEU C C 179 172.830 176.318 -3.488 1
2 120 . 1 1 1 A 11 11 LEU CA C 179 52.950 57.091 -4.141 1
2 121 . 1 1 1 A 11 11 LEU CB C 179 41.340 41.785 -0.445 1
2 125 . 1 1 1 A 11 11 LEU N N 179 125.920 125.563 0.357 1
2 126 . 1 1 1 A 12 12 TYR H H 180 6.950 7.706 -0.756 1
2 127 . 1 1 1 A 12 12 TYR HA H 180 4.590 4.827 -0.237 1
2 130 . 1 1 1 A 12 12 TYR C C 180 170.940 174.333 -3.393 1
2 131 . 1 1 1 A 12 12 TYR CA C 180 50.960 56.866 -5.906 1
2 132 . 1 1 1 A 12 12 TYR CB C 180 39.780 41.489 -1.709 1
2 133 . 1 1 1 A 12 12 TYR N N 180 111.350 115.131 -3.781 1
2 134 . 1 1 1 A 13 13 ASP H H 181 8.150 8.608 -0.458 1
2 135 . 1 1 1 A 13 13 ASP HA H 181 4.510 4.882 -0.372 1
2 138 . 1 1 1 A 13 13 ASP C C 181 173.290 174.583 -1.293 1
2 139 . 1 1 1 A 13 13 ASP CA C 181 51.890 52.980 -1.090 1
2 140 . 1 1 1 A 13 13 ASP CB C 181 39.090 40.068 -0.978 1
2 141 . 1 1 1 A 13 13 ASP N N 181 117.630 122.332 -4.702 1
2 142 . 1 1 1 A 14 14 TYR H H 182 8.650 8.775 -0.125 1
2 143 . 1 1 1 A 14 14 TYR HA H 182 4.820 4.942 -0.122 1
2 144 . 1 1 1 A 14 14 TYR C C 182 171.140 175.149 -4.009 1
2 145 . 1 1 1 A 14 14 TYR CA C 182 54.940 58.880 -3.940 1
2 146 . 1 1 1 A 14 14 TYR CB C 182 38.980 39.940 -0.960 1
2 147 . 1 1 1 A 14 14 TYR N N 182 121.640 127.856 -6.216 1
2 148 . 1 1 1 A 15 15 GLN H H 183 7.880 7.912 -0.032 1
2 149 . 1 1 1 A 15 15 GLN HA H 183 4.360 4.822 -0.462 1
2 154 . 1 1 1 A 15 15 GLN C C 183 171.200 174.229 -3.029 1
2 155 . 1 1 1 A 15 15 GLN CA C 183 51.630 53.967 -2.337 1
2 156 . 1 1 1 A 15 15 GLN CB C 183 26.830 32.322 -5.492 1
2 158 . 1 1 1 A 15 15 GLN N N 183 126.050 126.069 -0.019 1
2 160 . 1 1 1 A 16 16 THR H H 184 7.770 9.051 -1.281 1
2 161 . 1 1 1 A 16 16 THR HA H 184 4.220 4.579 -0.359 1
2 166 . 1 1 1 A 16 16 THR C C 184 169.070 174.428 -5.358 1
2 167 . 1 1 1 A 16 16 THR CA C 184 56.940 62.175 -5.235 1
2 168 . 1 1 1 A 16 16 THR CB C 184 66.050 70.064 -4.014 1
2 170 . 1 1 1 A 16 16 THR N N 184 115.120 119.979 -4.859 1
2 171 . 1 1 1 A 17 17 ASN H H 185 8.590 9.147 -0.557 1
2 172 . 1 1 1 A 17 17 ASN HA H 185 4.800 5.012 -0.212 1
2 177 . 1 1 1 A 17 17 ASN C C 185 172.010 174.524 -2.514 1
2 178 . 1 1 1 A 17 17 ASN CA C 185 49.560 52.958 -3.398 1
2 179 . 1 1 1 A 17 17 ASN CB C 185 37.300 40.301 -3.001 1
2 180 . 1 1 1 A 17 17 ASN N N 185 122.670 120.486 2.184 1
2 182 . 1 1 1 A 18 18 ASP H H 186 8.370 7.711 0.659 1
2 183 . 1 1 1 A 18 18 ASP HA H 186 4.720 5.129 -0.409 1
2 186 . 1 1 1 A 18 18 ASP CA C 186 49.410 50.679 -1.269 1
2 187 . 1 1 1 A 18 18 ASP CB C 186 40.440 42.768 -2.328 1
2 188 . 1 1 1 A 18 18 ASP N N 186 125.630 118.036 7.594 1
2 189 . 1 1 1 A 19 19 PRO HA H 187 4.410 4.339 0.071 1
2 194 . 1 1 1 A 19 19 PRO C C 187 174.970 178.825 -3.855 1
2 195 . 1 1 1 A 19 19 PRO CA C 187 61.850 65.471 -3.621 1
2 196 . 1 1 1 A 19 19 PRO CB C 187 29.770 31.679 -1.909 1
2 199 . 1 1 1 A 20 20 GLN H H 188 8.820 8.540 0.280 1
2 200 . 1 1 1 A 20 20 GLN HA H 188 4.460 4.020 0.440 1
2 205 . 1 1 1 A 20 20 GLN C C 188 174.070 176.933 -2.863 1
2 206 . 1 1 1 A 20 20 GLN CA C 188 53.440 59.197 -5.757 1
2 207 . 1 1 1 A 20 20 GLN CB C 188 27.070 28.296 -1.226 1
2 209 . 1 1 1 A 20 20 GLN N N 188 115.810 117.172 -1.362 1
2 211 . 1 1 1 A 21 21 GLU H H 189 7.870 7.830 0.040 1
2 212 . 1 1 1 A 21 21 GLU HA H 189 5.270 4.618 0.652 1
2 215 . 1 1 1 A 21 21 GLU C C 189 171.580 175.567 -3.987 1
2 216 . 1 1 1 A 21 21 GLU CA C 189 52.390 57.208 -4.818 1
2 217 . 1 1 1 A 21 21 GLU CB C 189 31.370 30.290 1.080 1
2 219 . 1 1 1 A 21 21 GLU N N 189 120.380 118.174 2.206 1
2 220 . 1 1 1 A 22 22 LEU H H 190 8.070 8.626 -0.556 1
2 221 . 1 1 1 A 22 22 LEU HA H 190 4.360 4.997 -0.637 1
2 231 . 1 1 1 A 22 22 LEU C C 190 170.930 176.657 -5.727 1
2 232 . 1 1 1 A 22 22 LEU CA C 190 50.440 53.686 -3.246 1
2 233 . 1 1 1 A 22 22 LEU CB C 190 42.940 44.717 -1.777 1
2 237 . 1 1 1 A 22 22 LEU N N 190 123.040 124.700 -1.660 1
2 238 . 1 1 1 A 23 23 ALA H H 191 7.770 8.616 -0.846 1
2 239 . 1 1 1 A 23 23 ALA HA H 191 4.300 4.805 -0.505 1
2 243 . 1 1 1 A 23 23 ALA C C 191 174.830 177.679 -2.849 1
2 244 . 1 1 1 A 23 23 ALA CA C 191 49.650 52.835 -3.185 1
2 245 . 1 1 1 A 23 23 ALA CB C 191 16.320 19.217 -2.897 1
2 246 . 1 1 1 A 23 23 ALA N N 191 124.770 128.088 -3.318 1
2 247 . 1 1 1 A 24 24 LEU H H 192 8.530 8.944 -0.414 1
2 248 . 1 1 1 A 24 24 LEU HA H 192 4.940 5.401 -0.461 1
2 258 . 1 1 1 A 24 24 LEU C C 192 175.110 175.714 -0.604 1
2 259 . 1 1 1 A 24 24 LEU CA C 192 50.020 53.379 -3.359 1
2 260 . 1 1 1 A 24 24 LEU CB C 192 42.370 45.551 -3.181 1
2 264 . 1 1 1 A 24 24 LEU N N 192 117.040 121.079 -4.039 1
2 265 . 1 1 1 A 25 25 ARG H H 193 8.260 8.848 -0.588 1
2 266 . 1 1 1 A 25 25 ARG HA H 193 4.840 4.730 0.110 1
2 271 . 1 1 1 A 25 25 ARG C C 193 171.570 174.174 -2.604 1
2 272 . 1 1 1 A 25 25 ARG CA C 193 51.000 55.910 -4.910 1
2 273 . 1 1 1 A 25 25 ARG CB C 193 29.930 33.893 -3.963 1
2 276 . 1 1 1 A 25 25 ARG N N 193 123.500 120.228 3.272 1
2 278 . 1 1 1 A 26 26 CYS H H 194 8.890 8.520 0.370 1
2 279 . 1 1 1 A 26 26 CYS HA H 194 3.240 4.532 -1.292 1
2 280 . 1 1 1 A 26 26 CYS C C 194 172.110 175.291 -3.181 1
2 281 . 1 1 1 A 26 26 CYS CA C 194 58.740 59.411 -0.671 1
2 282 . 1 1 1 A 26 26 CYS CB C 194 24.000 28.387 -4.387 1
2 283 . 1 1 1 A 26 26 CYS N N 194 123.100 123.155 -0.055 1
2 284 . 1 1 1 A 27 27 ASP H H 195 8.860 8.957 -0.097 1
2 285 . 1 1 1 A 27 27 ASP HA H 195 4.150 4.172 -0.022 1
2 288 . 1 1 1 A 27 27 ASP C C 195 172.530 174.137 -1.607 1
2 289 . 1 1 1 A 27 27 ASP CA C 195 55.060 55.417 -0.357 1
2 290 . 1 1 1 A 27 27 ASP CB C 195 37.070 39.634 -2.564 1
2 291 . 1 1 1 A 27 27 ASP N N 195 120.740 120.570 0.170 1
2 292 . 1 1 1 A 28 28 GLU H H 196 8.280 7.429 0.851 1
2 293 . 1 1 1 A 28 28 GLU HA H 196 4.180 4.676 -0.496 1
2 294 . 1 1 1 A 28 28 GLU C C 196 170.910 175.096 -4.186 1
2 295 . 1 1 1 A 28 28 GLU CA C 196 54.050 55.047 -0.997 1
2 296 . 1 1 1 A 28 28 GLU CB C 196 27.260 31.937 -4.677 1
2 298 . 1 1 1 A 28 28 GLU N N 196 122.610 118.800 3.810 1
2 299 . 1 1 1 A 29 29 GLU H H 197 7.750 8.649 -0.899 1
2 300 . 1 1 1 A 29 29 GLU HA H 197 5.050 5.237 -0.187 1
2 303 . 1 1 1 A 29 29 GLU C C 197 172.340 173.906 -1.566 1
2 304 . 1 1 1 A 29 29 GLU CA C 197 51.650 54.328 -2.678 1
2 305 . 1 1 1 A 29 29 GLU CB C 197 29.810 33.281 -3.471 1
2 307 . 1 1 1 A 29 29 GLU N N 197 119.280 124.479 -5.199 1
2 308 . 1 1 1 A 30 30 TYR H H 198 9.110 8.857 0.253 1
2 309 . 1 1 1 A 30 30 TYR HA H 198 4.410 5.147 -0.737 1
2 312 . 1 1 1 A 30 30 TYR C C 198 171.550 173.785 -2.235 1
2 313 . 1 1 1 A 30 30 TYR CA C 198 53.790 56.456 -2.666 1
2 314 . 1 1 1 A 30 30 TYR CB C 198 39.450 43.581 -4.131 1
2 315 . 1 1 1 A 30 30 TYR N N 198 119.170 119.072 0.098 1
2 316 . 1 1 1 A 31 31 TYR H H 199 9.190 8.759 0.431 1
2 317 . 1 1 1 A 31 31 TYR HA H 199 4.780 5.363 -0.583 1
2 320 . 1 1 1 A 31 31 TYR C C 199 173.570 174.751 -1.181 1
2 321 . 1 1 1 A 31 31 TYR CA C 199 54.930 56.775 -1.845 1
2 322 . 1 1 1 A 31 31 TYR CB C 199 36.360 42.724 -6.364 1
2 323 . 1 1 1 A 31 31 TYR N N 199 119.570 118.572 0.998 1
2 324 . 1 1 1 A 32 32 LEU H H 200 8.780 8.486 0.294 1
2 325 . 1 1 1 A 32 32 LEU HA H 200 4.310 5.210 -0.900 1
2 335 . 1 1 1 A 32 32 LEU C C 200 172.640 175.669 -3.029 1
2 336 . 1 1 1 A 32 32 LEU CA C 200 52.200 53.650 -1.450 1
2 337 . 1 1 1 A 32 32 LEU CB C 200 40.010 45.401 -5.391 1
2 341 . 1 1 1 A 32 32 LEU N N 200 124.640 122.970 1.670 1
2 342 . 1 1 1 A 33 33 LEU H H 201 8.790 8.767 0.023 1
2 343 . 1 1 1 A 33 33 LEU HA H 201 4.370 4.631 -0.261 1
2 353 . 1 1 1 A 33 33 LEU C C 201 174.910 176.979 -2.069 1
2 354 . 1 1 1 A 33 33 LEU CA C 201 52.880 55.670 -2.790 1
2 355 . 1 1 1 A 33 33 LEU CB C 201 39.660 43.724 -4.064 1
2 359 . 1 1 1 A 33 33 LEU N N 201 127.530 126.843 0.687 1
2 360 . 1 1 1 A 34 34 ASP H H 202 7.420 7.994 -0.574 1
2 361 . 1 1 1 A 34 34 ASP HA H 202 4.640 4.910 -0.270 1
2 362 . 1 1 1 A 34 34 ASP C C 202 172.520 175.953 -3.433 1
2 363 . 1 1 1 A 34 34 ASP CA C 202 52.110 53.153 -1.043 1
2 364 . 1 1 1 A 34 34 ASP CB C 202 40.810 41.472 -0.662 1
2 365 . 1 1 1 A 34 34 ASP N N 202 114.900 119.553 -4.653 1
2 366 . 1 1 1 A 35 35 SER H H 203 8.960 8.865 0.095 1
2 367 . 1 1 1 A 35 35 SER HA H 203 4.250 3.979 0.271 1
2 370 . 1 1 1 A 35 35 SER C C 203 171.520 176.494 -4.974 1
2 371 . 1 1 1 A 35 35 SER CA C 203 54.280 59.741 -5.461 1
2 372 . 1 1 1 A 35 35 SER CB C 203 59.680 62.943 -3.263 1
2 373 . 1 1 1 A 35 35 SER N N 203 123.770 121.633 2.137 1
2 374 . 1 1 1 A 36 36 SER H H 204 8.510 7.437 1.073 1
2 375 . 1 1 1 A 36 36 SER HA H 204 3.980 4.302 -0.322 1
2 378 . 1 1 1 A 36 36 SER C C 204 172.960 175.246 -2.286 1
2 379 . 1 1 1 A 36 36 SER CA C 204 59.310 61.489 -2.179 1
2 380 . 1 1 1 A 36 36 SER CB C 204 60.670 62.510 -1.840 1
2 381 . 1 1 1 A 36 36 SER N N 204 118.690 113.962 4.728 1
2 382 . 1 1 1 A 37 37 GLU H H 205 8.770 7.769 1.001 1
2 383 . 1 1 1 A 37 37 GLU HA H 205 4.560 4.233 0.327 1
2 386 . 1 1 1 A 37 37 GLU C C 205 173.990 176.296 -2.306 1
2 387 . 1 1 1 A 37 37 GLU CA C 205 52.940 56.991 -4.051 1
2 388 . 1 1 1 A 37 37 GLU CB C 205 27.150 29.865 -2.715 1
2 390 . 1 1 1 A 37 37 GLU N N 205 123.110 121.799 1.311 1
2 391 . 1 1 1 A 38 38 ILE H H 206 8.130 8.124 0.006 1
2 392 . 1 1 1 A 38 38 ILE HA H 206 3.770 3.933 -0.163 1
2 402 . 1 1 1 A 38 38 ILE C C 206 176.120 177.509 -1.389 1
2 403 . 1 1 1 A 38 38 ILE CA C 206 62.000 63.405 -1.405 1
2 404 . 1 1 1 A 38 38 ILE CB C 206 35.530 37.557 -2.027 1
2 408 . 1 1 1 A 38 38 ILE N N 206 117.030 123.195 -6.165 1
2 409 . 1 1 1 A 39 39 HIS H H 207 8.460 6.705 1.755 1
2 410 . 1 1 1 A 39 39 HIS HA H 207 4.190 4.129 0.061 1
2 416 . 1 1 1 A 39 39 HIS C C 207 173.020 174.015 -0.995 1
2 417 . 1 1 1 A 39 39 HIS CA C 207 55.490 58.120 -2.630 1
2 418 . 1 1 1 A 39 39 HIS CB C 207 29.180 29.407 -0.227 1
2 421 . 1 1 1 A 39 39 HIS N N 207 116.550 118.204 -1.654 1
2 422 . 1 1 1 A 40 40 TRP H H 208 7.110 8.415 -1.305 1
2 423 . 1 1 1 A 40 40 TRP HA H 208 4.830 5.084 -0.254 1
2 432 . 1 1 1 A 40 40 TRP C C 208 171.260 175.152 -3.892 1
2 433 . 1 1 1 A 40 40 TRP CA C 208 53.520 55.460 -1.940 1
2 434 . 1 1 1 A 40 40 TRP CB C 208 29.810 32.197 -2.387 1
2 440 . 1 1 1 A 40 40 TRP N N 208 119.720 117.248 2.472 1
2 442 . 1 1 1 A 41 41 TRP H H 209 9.230 8.738 0.492 1
2 443 . 1 1 1 A 41 41 TRP HA H 209 5.390 5.295 0.095 1
2 452 . 1 1 1 A 41 41 TRP C C 209 172.080 176.077 -3.997 1
2 453 . 1 1 1 A 41 41 TRP CA C 209 50.440 55.725 -5.285 1
2 454 . 1 1 1 A 41 41 TRP CB C 209 29.620 30.591 -0.971 1
2 460 . 1 1 1 A 41 41 TRP N N 209 124.040 122.698 1.342 1
2 462 . 1 1 1 A 42 42 ARG H H 210 8.810 8.912 -0.102 1
2 463 . 1 1 1 A 42 42 ARG HA H 210 4.420 4.327 0.093 1
2 468 . 1 1 1 A 42 42 ARG C C 210 172.580 176.331 -3.751 1
2 469 . 1 1 1 A 42 42 ARG CA C 210 52.810 57.315 -4.505 1
2 470 . 1 1 1 A 42 42 ARG CB C 210 29.320 31.059 -1.739 1
2 473 . 1 1 1 A 42 42 ARG N N 210 123.410 125.391 -1.981 1
2 475 . 1 1 1 A 43 43 VAL H H 211 8.890 8.840 0.050 1
2 476 . 1 1 1 A 43 43 VAL HA H 211 5.360 5.243 0.117 1
2 484 . 1 1 1 A 43 43 VAL C C 211 170.480 173.631 -3.151 1
2 485 . 1 1 1 A 43 43 VAL CA C 211 56.190 58.906 -2.716 1
2 486 . 1 1 1 A 43 43 VAL CB C 211 34.090 35.941 -1.851 1
2 489 . 1 1 1 A 43 43 VAL N N 211 121.440 118.623 2.817 1
2 490 . 1 1 1 A 44 44 GLN H H 212 8.910 8.891 0.019 1
2 491 . 1 1 1 A 44 44 GLN HA H 212 5.610 5.055 0.555 1
2 498 . 1 1 1 A 44 44 GLN C C 212 172.980 174.839 -1.859 1
2 499 . 1 1 1 A 44 44 GLN CA C 212 50.810 54.326 -3.516 1
2 500 . 1 1 1 A 44 44 GLN CB C 212 32.440 31.917 0.523 1
2 502 . 1 1 1 A 44 44 GLN N N 212 119.200 121.842 -2.642 1
2 504 . 1 1 1 A 45 45 ASP H H 213 9.170 8.556 0.614 1
2 505 . 1 1 1 A 45 45 ASP HA H 213 4.970 4.788 0.182 1
2 508 . 1 1 1 A 45 45 ASP C C 213 175.570 177.600 -2.030 1
2 509 . 1 1 1 A 45 45 ASP CA C 213 49.920 54.676 -4.756 1
2 510 . 1 1 1 A 45 45 ASP CB C 213 40.390 42.858 -2.468 1
2 511 . 1 1 1 A 45 45 ASP N N 213 125.560 128.049 -2.489 1
2 512 . 1 1 1 A 46 46 LYS H H 214 8.860 8.758 0.102 1
2 513 . 1 1 1 A 46 46 LYS HA H 214 4.100 4.028 0.072 1
2 516 . 1 1 1 A 46 46 LYS C C 214 174.130 178.280 -4.150 1
2 517 . 1 1 1 A 46 46 LYS CA C 214 55.740 59.869 -4.129 1
2 518 . 1 1 1 A 46 46 LYS CB C 214 28.870 32.115 -3.245 1
2 522 . 1 1 1 A 46 46 LYS N N 214 117.320 125.853 -8.533 1
2 523 . 1 1 1 A 47 47 ASN H H 215 8.240 7.924 0.316 1
2 524 . 1 1 1 A 47 47 ASN HA H 215 4.790 4.667 0.123 1
2 529 . 1 1 1 A 47 47 ASN C C 215 172.460 175.852 -3.392 1
2 530 . 1 1 1 A 47 47 ASN CA C 215 50.430 53.894 -3.464 1
2 531 . 1 1 1 A 47 47 ASN CB C 215 37.100 38.564 -1.464 1
2 532 . 1 1 1 A 47 47 ASN N N 215 117.030 114.666 2.364 1
2 534 . 1 1 1 A 48 48 GLY H H 216 7.960 8.341 -0.381 1
2 535 . 1 1 1 A 48 48 GLY HA2 H 216 4.100 4.123 -0.023 1
2 536 . 1 1 1 A 48 48 GLY HA3 H 216 3.410 4.138 -0.728 1
2 537 . 1 1 1 A 48 48 GLY C C 216 171.730 174.563 -2.833 1
2 538 . 1 1 1 A 48 48 GLY CA C 216 42.800 45.507 -2.707 1
2 539 . 1 1 1 A 48 48 GLY N N 216 107.550 106.042 1.508 1
2 540 . 1 1 1 A 49 49 HIS H H 217 8.500 7.992 0.508 1
2 541 . 1 1 1 A 49 49 HIS HA H 217 4.610 4.565 0.045 1
2 547 . 1 1 1 A 49 49 HIS C C 217 171.240 173.859 -2.619 1
2 548 . 1 1 1 A 49 49 HIS CA C 217 53.440 55.543 -2.103 1
2 549 . 1 1 1 A 49 49 HIS CB C 217 26.730 29.727 -2.997 1
2 552 . 1 1 1 A 49 49 HIS N N 217 123.110 117.844 5.266 1
2 553 . 1 1 1 A 50 50 GLU H H 218 8.600 8.736 -0.136 1
2 554 . 1 1 1 A 50 50 GLU HA H 218 5.680 5.153 0.527 1
2 557 . 1 1 1 A 50 50 GLU C C 218 173.370 175.688 -2.318 1
2 558 . 1 1 1 A 50 50 GLU CA C 218 51.360 55.101 -3.741 1
2 559 . 1 1 1 A 50 50 GLU CB C 218 32.010 32.020 -0.010 1
2 561 . 1 1 1 A 50 50 GLU N N 218 120.370 122.467 -2.097 1
2 562 . 1 1 1 A 51 51 GLY H H 219 8.490 8.399 0.091 1
2 563 . 1 1 1 A 51 51 GLY HA2 H 219 3.790 4.006 -0.216 1
2 564 . 1 1 1 A 51 51 GLY HA3 H 219 3.650 4.154 -0.504 1
2 565 . 1 1 1 A 51 51 GLY C C 219 168.050 171.163 -3.113 1
2 566 . 1 1 1 A 51 51 GLY CA C 219 42.530 45.540 -3.010 1
2 567 . 1 1 1 A 51 51 GLY N N 219 106.330 108.578 -2.248 1
2 568 . 1 1 1 A 52 52 TYR H H 220 8.780 8.486 0.294 1
2 569 . 1 1 1 A 52 52 TYR HA H 220 5.220 4.896 0.324 1
2 572 . 1 1 1 A 52 52 TYR C C 220 172.700 176.230 -3.530 1
2 573 . 1 1 1 A 52 52 TYR CA C 220 56.490 58.735 -2.245 1
2 574 . 1 1 1 A 52 52 TYR CB C 220 38.490 39.521 -1.031 1
2 575 . 1 1 1 A 52 52 TYR N N 220 118.110 119.720 -1.610 1
2 576 . 1 1 1 A 53 53 ALA H H 221 9.350 9.041 0.309 1
2 577 . 1 1 1 A 53 53 ALA HA H 221 4.750 5.083 -0.333 1
2 581 . 1 1 1 A 53 53 ALA CA C 221 47.010 49.497 -2.487 1
2 582 . 1 1 1 A 53 53 ALA CB C 221 18.810 21.700 -2.890 1
2 583 . 1 1 1 A 53 53 ALA N N 221 122.250 126.259 -4.009 1
2 584 . 1 1 1 A 54 54 PRO HA H 222 3.460 3.756 -0.296 1
2 591 . 1 1 1 A 54 54 PRO C C 222 175.420 176.146 -0.726 1
2 592 . 1 1 1 A 54 54 PRO CA C 222 59.050 62.377 -3.327 1
2 593 . 1 1 1 A 54 54 PRO CB C 222 28.110 32.727 -4.617 1
2 596 . 1 1 1 A 55 55 SER H H 223 7.560 8.256 -0.696 1
2 597 . 1 1 1 A 55 55 SER HA H 223 2.620 3.373 -0.753 1
2 600 . 1 1 1 A 55 55 SER C C 223 173.930 176.072 -2.142 1
2 601 . 1 1 1 A 55 55 SER CA C 223 57.600 59.959 -2.359 1
2 602 . 1 1 1 A 55 55 SER CB C 223 57.450 63.114 -5.664 1
2 603 . 1 1 1 A 55 55 SER N N 223 121.750 117.434 4.316 1
2 604 . 1 1 1 A 56 56 SER H H 224 8.020 7.693 0.327 1
2 605 . 1 1 1 A 56 56 SER HA H 224 3.970 4.063 -0.093 1
2 608 . 1 1 1 A 56 56 SER C C 224 172.380 175.737 -3.357 1
2 609 . 1 1 1 A 56 56 SER CA C 224 57.350 62.130 -4.780 1
2 610 . 1 1 1 A 56 56 SER CB C 224 60.190 63.030 -2.840 1
2 611 . 1 1 1 A 56 56 SER N N 224 115.180 116.511 -1.331 1
2 612 . 1 1 1 A 57 57 TYR H H 225 7.450 7.427 0.023 1
2 613 . 1 1 1 A 57 57 TYR HA H 225 4.430 4.524 -0.094 1
2 616 . 1 1 1 A 57 57 TYR C C 225 171.470 175.197 -3.727 1
2 617 . 1 1 1 A 57 57 TYR CA C 225 55.180 60.093 -4.913 1
2 618 . 1 1 1 A 57 57 TYR CB C 225 35.610 38.667 -3.057 1
2 619 . 1 1 1 A 57 57 TYR N N 225 121.760 118.662 3.098 1
2 620 . 1 1 1 A 58 58 LEU H H 226 7.290 7.613 -0.323 1
2 621 . 1 1 1 A 58 58 LEU HA H 226 5.230 5.131 0.099 1
2 631 . 1 1 1 A 58 58 LEU C C 226 172.400 175.831 -3.431 1
2 632 . 1 1 1 A 58 58 LEU CA C 226 51.150 53.637 -2.487 1
2 633 . 1 1 1 A 58 58 LEU CB C 226 44.740 44.846 -0.106 1
2 637 . 1 1 1 A 58 58 LEU N N 226 120.930 120.486 0.444 1
2 638 . 1 1 1 A 59 59 VAL H H 227 8.480 8.924 -0.444 1
2 639 . 1 1 1 A 59 59 VAL HA H 227 4.590 4.896 -0.306 1
2 647 . 1 1 1 A 59 59 VAL C C 227 171.700 174.583 -2.883 1
2 648 . 1 1 1 A 59 59 VAL CA C 227 56.850 59.232 -2.382 1
2 649 . 1 1 1 A 59 59 VAL CB C 227 33.190 35.744 -2.554 1
2 652 . 1 1 1 A 59 59 VAL N N 227 115.550 117.383 -1.833 1
2 653 . 1 1 1 A 60 60 GLU H H 228 8.920 8.618 0.302 1
2 654 . 1 1 1 A 60 60 GLU HA H 228 4.300 4.446 -0.146 1
2 657 . 1 1 1 A 60 60 GLU C C 228 173.570 177.526 -3.956 1
2 658 . 1 1 1 A 60 60 GLU CA C 228 55.280 56.925 -1.645 1
2 659 . 1 1 1 A 60 60 GLU CB C 228 27.610 29.888 -2.278 1
2 661 . 1 1 1 A 60 60 GLU N N 228 124.860 124.518 0.342 1
2 662 . 1 1 1 A 61 61 LYS H H 229 8.300 9.416 -1.116 1
2 663 . 1 1 1 A 61 61 LYS HA H 229 4.080 3.813 0.267 1
2 670 . 1 1 1 A 61 61 LYS C C 229 173.430 176.319 -2.889 1
2 671 . 1 1 1 A 61 61 LYS CA C 229 54.220 59.478 -5.258 1
2 672 . 1 1 1 A 61 61 LYS CB C 229 31.390 32.473 -1.083 1
2 676 . 1 1 1 A 61 61 LYS N N 229 125.780 126.392 -0.612 1
2 677 . 1 1 1 A 62 62 SER H H 230 8.550 7.996 0.554 1
2 678 . 1 1 1 A 62 62 SER HA H 230 4.670 4.127 0.543 1
2 681 . 1 1 1 A 62 62 SER CA C 230 53.680 59.098 -5.418 1
2 682 . 1 1 1 A 62 62 SER CB C 230 60.670 61.604 -0.934 1
2 683 . 1 1 1 A 62 62 SER N N 230 121.100 114.265 6.835 1
3 12 . 1 2 2 B 4 4 ASN HA H 233 4.570 4.538 0.032 1
3 17 . 1 2 2 B 4 4 ASN CA C 233 50.830 53.056 -2.226 1
3 18 . 1 2 2 B 4 4 ASN CB C 233 35.610 37.156 -1.546 1
3 20 . 1 2 2 B 5 5 LEU H H 234 8.320 7.825 0.495 1
3 21 . 1 2 2 B 5 5 LEU HA H 234 3.900 4.081 -0.181 1
3 31 . 1 2 2 B 5 5 LEU CA C 234 53.890 54.671 -0.781 1
3 32 . 1 2 2 B 5 5 LEU CB C 234 37.740 41.650 -3.910 1
3 36 . 1 2 2 B 5 5 LEU N N 234 122.070 125.229 -3.159 1
3 37 . 1 2 2 B 6 6 GLU H H 235 8.090 7.848 0.242 1
3 38 . 1 2 2 B 6 6 GLU HA H 235 4.120 4.080 0.040 1
3 41 . 1 2 2 B 6 6 GLU CA C 235 56.410 59.053 -2.643 1
3 42 . 1 2 2 B 6 6 GLU CB C 235 26.560 29.513 -2.953 1
3 44 . 1 2 2 B 6 6 GLU N N 235 113.760 119.543 -5.783 1
3 45 . 1 2 2 B 7 7 THR H H 236 7.360 7.294 0.066 1
3 46 . 1 2 2 B 7 7 THR HA H 236 3.880 3.904 -0.024 1
3 51 . 1 2 2 B 7 7 THR CA C 236 59.940 64.932 -4.992 1
3 52 . 1 2 2 B 7 7 THR CB C 236 66.580 67.892 -1.312 1
3 54 . 1 2 2 B 7 7 THR N N 236 108.790 110.323 -1.533 1
3 55 . 1 2 2 B 8 8 TYR H H 237 7.400 7.245 0.155 1
3 56 . 1 2 2 B 8 8 TYR HA H 237 3.970 4.436 -0.466 1
3 63 . 1 2 2 B 8 8 TYR CA C 237 55.580 57.699 -2.119 1
3 64 . 1 2 2 B 8 8 TYR CB C 237 35.030 38.888 -3.858 1
3 66 . 1 2 2 B 8 8 TYR N N 237 120.720 121.572 -0.852 1
3 67 . 1 2 2 B 9 9 GLU H H 238 9.040 8.414 0.626 1
3 68 . 1 2 2 B 9 9 GLU HA H 238 3.860 4.175 -0.315 1
3 71 . 1 2 2 B 9 9 GLU CA C 238 55.770 58.852 -3.082 1
3 72 . 1 2 2 B 9 9 GLU CB C 238 26.890 30.227 -3.337 1
3 74 . 1 2 2 B 9 9 GLU N N 238 122.650 119.607 3.043 1
3 75 . 1 2 2 B 10 10 TRP H H 239 6.040 7.627 -1.587 1
3 76 . 1 2 2 B 10 10 TRP HA H 239 4.190 4.516 -0.326 1
3 85 . 1 2 2 B 10 10 TRP CA C 239 50.520 60.007 -9.487 1
3 86 . 1 2 2 B 10 10 TRP CB C 239 27.060 28.409 -1.349 1
3 92 . 1 2 2 B 10 10 TRP N N 239 107.760 118.881 -11.121 1
3 94 . 1 2 2 B 11 11 TYR H H 240 7.320 7.337 -0.017 1
3 95 . 1 2 2 B 11 11 TYR HA H 240 5.410 4.629 0.781 1
3 102 . 1 2 2 B 11 11 TYR CA C 240 54.010 59.364 -5.354 1
3 103 . 1 2 2 B 11 11 TYR CB C 240 35.210 38.666 -3.456 1
3 105 . 1 2 2 B 11 11 TYR N N 240 122.430 122.172 0.258 1
3 106 . 1 2 2 B 12 12 ASN H H 241 8.610 8.150 0.460 1
3 107 . 1 2 2 B 12 12 ASN HA H 241 4.600 5.020 -0.420 1
3 112 . 1 2 2 B 12 12 ASN CA C 241 48.880 52.329 -3.449 1
3 113 . 1 2 2 B 12 12 ASN CB C 241 38.970 40.514 -1.544 1
3 114 . 1 2 2 B 12 12 ASN N N 241 128.150 126.220 1.930 1
3 116 . 1 2 2 B 13 13 LYS H H 242 7.400 8.583 -1.183 1
3 117 . 1 2 2 B 13 13 LYS HA H 242 3.710 3.966 -0.256 1
3 120 . 1 2 2 B 13 13 LYS CA C 242 54.660 58.672 -4.012 1
3 121 . 1 2 2 B 13 13 LYS CB C 242 30.280 32.843 -2.563 1
3 125 . 1 2 2 B 13 13 LYS N N 242 121.780 123.697 -1.917 1
3 126 . 1 2 2 B 14 14 SER H H 243 8.290 7.911 0.379 1
3 127 . 1 2 2 B 14 14 SER HA H 243 4.170 4.297 -0.127 1
3 130 . 1 2 2 B 14 14 SER CA C 243 56.590 61.749 -5.159 1
3 131 . 1 2 2 B 14 14 SER CB C 243 59.830 63.008 -3.178 1
3 132 . 1 2 2 B 14 14 SER N N 243 115.140 114.594 0.546 1
3 133 . 1 2 2 B 15 15 ILE H H 244 7.450 7.273 0.177 1
3 134 . 1 2 2 B 15 15 ILE HA H 244 4.290 4.473 -0.183 1
3 141 . 1 2 2 B 15 15 ILE CA C 244 57.870 60.285 -2.415 1
3 142 . 1 2 2 B 15 15 ILE CB C 244 37.170 39.707 -2.537 1
3 146 . 1 2 2 B 15 15 ILE N N 244 120.010 122.243 -2.233 1
3 147 . 1 2 2 B 16 16 SER H H 245 8.060 8.725 -0.665 1
3 148 . 1 2 2 B 16 16 SER HA H 245 4.400 4.691 -0.291 1
3 151 . 1 2 2 B 16 16 SER CA C 245 54.580 57.468 -2.888 1
3 152 . 1 2 2 B 16 16 SER CB C 245 62.900 64.383 -1.483 1
3 153 . 1 2 2 B 16 16 SER N N 245 121.640 123.543 -1.903 1
3 154 . 1 2 2 B 17 17 ARG H H 246 8.920 8.901 0.019 1
3 155 . 1 2 2 B 17 17 ARG HA H 246 3.430 3.979 -0.549 1
3 160 . 1 2 2 B 17 17 ARG CA C 246 58.050 59.111 -1.061 1
3 161 . 1 2 2 B 17 17 ARG CB C 246 27.830 30.087 -2.257 1
3 164 . 1 2 2 B 17 17 ARG N N 246 122.060 124.504 -2.444 1
3 165 . 1 2 2 B 18 18 ASP H H 247 8.350 8.132 0.218 1
3 166 . 1 2 2 B 18 18 ASP HA H 247 4.170 4.405 -0.235 1
3 169 . 1 2 2 B 18 18 ASP CA C 247 54.610 57.040 -2.430 1
3 170 . 1 2 2 B 18 18 ASP CB C 247 37.920 40.029 -2.109 1
3 171 . 1 2 2 B 18 18 ASP N N 247 115.450 119.954 -4.504 1
3 172 . 1 2 2 B 19 19 LYS H H 248 7.550 7.827 -0.277 1
3 173 . 1 2 2 B 19 19 LYS HA H 248 3.920 3.990 -0.070 1
3 176 . 1 2 2 B 19 19 LYS CA C 248 55.920 59.056 -3.136 1
3 177 . 1 2 2 B 19 19 LYS CB C 248 29.450 32.308 -2.858 1
3 181 . 1 2 2 B 19 19 LYS N N 248 121.070 119.212 1.858 1
3 182 . 1 2 2 B 20 20 ALA H H 249 8.530 8.367 0.163 1
3 183 . 1 2 2 B 20 20 ALA HA H 249 3.730 3.995 -0.265 1
3 187 . 1 2 2 B 20 20 ALA CA C 249 52.970 55.053 -2.083 1
3 188 . 1 2 2 B 20 20 ALA CB C 249 16.780 18.133 -1.353 1
3 189 . 1 2 2 B 20 20 ALA N N 249 121.990 121.940 0.050 1
3 190 . 1 2 2 B 21 21 GLU H H 250 8.250 7.785 0.465 1
3 191 . 1 2 2 B 21 21 GLU HA H 250 3.700 4.020 -0.320 1
3 196 . 1 2 2 B 21 21 GLU CA C 250 58.320 59.537 -1.217 1
3 197 . 1 2 2 B 21 21 GLU CB C 250 26.210 29.597 -3.387 1
3 199 . 1 2 2 B 21 21 GLU N N 250 114.110 117.845 -3.735 1
3 200 . 1 2 2 B 22 22 LYS H H 251 7.450 7.496 -0.046 1
3 201 . 1 2 2 B 22 22 LYS HA H 251 3.820 4.014 -0.194 1
3 210 . 1 2 2 B 22 22 LYS CA C 251 56.950 59.051 -2.101 1
3 211 . 1 2 2 B 22 22 LYS CB C 251 29.460 32.000 -2.540 1
3 215 . 1 2 2 B 22 22 LYS N N 251 118.150 118.986 -0.836 1
3 216 . 1 2 2 B 23 23 LEU H H 252 8.030 8.440 -0.410 1
3 217 . 1 2 2 B 23 23 LEU HA H 252 3.930 3.996 -0.066 1
3 227 . 1 2 2 B 23 23 LEU CA C 252 55.130 58.127 -2.997 1
3 228 . 1 2 2 B 23 23 LEU CB C 252 39.770 41.309 -1.539 1
3 232 . 1 2 2 B 23 23 LEU N N 252 117.680 120.974 -3.294 1
3 233 . 1 2 2 B 24 24 LEU H H 253 8.060 7.765 0.295 1
3 234 . 1 2 2 B 24 24 LEU HA H 253 3.860 4.063 -0.203 1
3 244 . 1 2 2 B 24 24 LEU CA C 253 55.480 57.795 -2.315 1
3 245 . 1 2 2 B 24 24 LEU CB C 253 40.010 40.908 -0.898 1
3 249 . 1 2 2 B 24 24 LEU N N 253 118.710 118.057 0.653 1
3 250 . 1 2 2 B 25 25 LEU H H 254 8.870 7.373 1.497 1
3 251 . 1 2 2 B 25 25 LEU HA H 254 3.870 3.216 0.654 1
3 261 . 1 2 2 B 25 25 LEU CA C 254 55.680 57.858 -2.178 1
3 262 . 1 2 2 B 25 25 LEU CB C 254 39.040 41.242 -2.202 1
3 266 . 1 2 2 B 25 25 LEU N N 254 122.230 120.135 2.095 1
3 267 . 1 2 2 B 26 26 ASP H H 255 8.110 7.948 0.162 1
3 268 . 1 2 2 B 26 26 ASP HA H 255 4.170 4.331 -0.161 1
3 271 . 1 2 2 B 26 26 ASP CA C 255 53.910 57.213 -3.303 1
3 272 . 1 2 2 B 26 26 ASP CB C 255 37.710 41.949 -4.239 1
3 273 . 1 2 2 B 26 26 ASP N N 255 117.470 119.198 -1.728 1
3 274 . 1 2 2 B 27 27 THR H H 256 7.240 7.594 -0.354 1
3 275 . 1 2 2 B 27 27 THR HA H 256 3.770 4.031 -0.261 1
3 280 . 1 2 2 B 27 27 THR CA C 256 63.070 65.962 -2.892 1
3 281 . 1 2 2 B 27 27 THR CB C 256 65.960 69.075 -3.115 1
3 283 . 1 2 2 B 27 27 THR N N 256 112.880 114.298 -1.418 1
3 284 . 1 2 2 B 28 28 GLY H H 257 7.010 8.423 -1.413 1
3 285 . 1 2 2 B 28 28 GLY HA2 H 257 3.390 4.004 -0.614 1
3 286 . 1 2 2 B 28 28 GLY HA3 H 257 2.860 4.188 -1.328 1
3 287 . 1 2 2 B 28 28 GLY CA C 257 44.440 46.847 -2.407 1
3 288 . 1 2 2 B 28 28 GLY N N 257 105.350 109.638 -4.288 1
3 289 . 1 2 2 B 29 29 LYS H H 258 6.080 7.806 -1.726 1
3 290 . 1 2 2 B 29 29 LYS HA H 258 4.230 4.684 -0.454 1
3 295 . 1 2 2 B 29 29 LYS CA C 258 51.550 53.970 -2.420 1
3 296 . 1 2 2 B 29 29 LYS CB C 258 32.520 35.923 -3.403 1
3 300 . 1 2 2 B 29 29 LYS N N 258 117.190 119.033 -1.843 1
3 301 . 1 2 2 B 30 30 GLU H H 259 8.660 8.566 0.094 1
3 302 . 1 2 2 B 30 30 GLU HA H 259 3.870 4.026 -0.156 1
3 303 . 1 2 2 B 30 30 GLU CA C 259 55.300 57.217 -1.917 1
3 304 . 1 2 2 B 30 30 GLU CB C 259 27.420 29.487 -2.067 1
3 306 . 1 2 2 B 30 30 GLU N N 259 124.820 121.679 3.141 1
3 307 . 1 2 2 B 31 31 GLY H H 260 8.910 8.806 0.104 1
3 308 . 1 2 2 B 31 31 GLY HA2 H 260 4.330 3.970 0.360 1
3 309 . 1 2 2 B 31 31 GLY HA3 H 260 3.750 3.991 -0.241 1
3 310 . 1 2 2 B 31 31 GLY CA C 260 44.370 45.033 -0.663 1
3 311 . 1 2 2 B 31 31 GLY N N 260 114.020 112.760 1.260 1
3 312 . 1 2 2 B 32 32 ALA H H 261 8.510 7.791 0.719 1
3 313 . 1 2 2 B 32 32 ALA HA H 261 5.600 4.601 0.999 1
3 317 . 1 2 2 B 32 32 ALA CA C 261 49.600 52.852 -3.252 1
3 318 . 1 2 2 B 32 32 ALA CB C 261 16.020 19.317 -3.297 1
3 319 . 1 2 2 B 32 32 ALA N N 261 125.860 124.173 1.687 1
3 320 . 1 2 2 B 33 33 PHE H H 262 8.860 8.886 -0.026 1
3 321 . 1 2 2 B 33 33 PHE HA H 262 5.970 5.840 0.130 1
3 328 . 1 2 2 B 33 33 PHE CA C 262 53.360 55.110 -1.750 1
3 329 . 1 2 2 B 33 33 PHE CB C 262 42.050 42.618 -0.568 1
3 330 . 1 2 2 B 33 33 PHE N N 262 120.070 120.465 -0.395 1
3 331 . 1 2 2 B 34 34 MET H H 263 8.670 9.380 -0.710 1
3 332 . 1 2 2 B 34 34 MET HA H 263 4.730 5.169 -0.439 1
3 340 . 1 2 2 B 34 34 MET CA C 263 52.100 54.187 -2.087 1
3 341 . 1 2 2 B 34 34 MET CB C 263 34.520 35.882 -1.362 1
3 344 . 1 2 2 B 34 34 MET N N 263 111.210 119.791 -8.581 1
3 345 . 1 2 2 B 35 35 VAL H H 264 9.280 9.220 0.060 1
3 346 . 1 2 2 B 35 35 VAL HA H 264 5.220 5.542 -0.322 1
3 354 . 1 2 2 B 35 35 VAL CA C 264 58.920 60.276 -1.356 1
3 355 . 1 2 2 B 35 35 VAL CB C 264 31.070 35.842 -4.772 1
3 358 . 1 2 2 B 35 35 VAL N N 264 120.290 121.573 -1.283 1
3 359 . 1 2 2 B 36 36 ARG H H 265 9.480 9.387 0.093 1
3 360 . 1 2 2 B 36 36 ARG HA H 265 5.310 4.919 0.391 1
3 366 . 1 2 2 B 36 36 ARG CA C 265 50.410 54.285 -3.875 1
3 367 . 1 2 2 B 36 36 ARG CB C 265 31.150 34.069 -2.919 1
3 370 . 1 2 2 B 36 36 ARG N N 265 124.140 125.189 -1.049 1
3 372 . 1 2 2 B 37 37 ASP H H 266 8.920 8.422 0.498 1
3 373 . 1 2 2 B 37 37 ASP HA H 266 4.740 4.703 0.037 1
3 376 . 1 2 2 B 37 37 ASP CA C 266 52.950 54.996 -2.046 1
3 377 . 1 2 2 B 37 37 ASP CB C 266 38.070 41.384 -3.314 1
3 378 . 1 2 2 B 37 37 ASP N N 266 122.280 127.666 -5.386 1
3 379 . 1 2 2 B 38 38 SER H H 267 8.060 8.990 -0.930 1
3 380 . 1 2 2 B 38 38 SER HA H 267 4.570 4.722 -0.152 1
3 381 . 1 2 2 B 38 38 SER CA C 267 53.700 56.501 -2.801 1
3 382 . 1 2 2 B 38 38 SER CB C 267 60.580 65.758 -5.178 1
3 383 . 1 2 2 B 38 38 SER N N 267 118.010 121.464 -3.454 1
3 384 . 1 2 2 B 39 39 ARG H H 268 8.880 8.672 0.208 1
3 385 . 1 2 2 B 39 39 ARG HA H 268 3.920 4.033 -0.113 1
3 386 . 1 2 2 B 39 39 ARG CA C 268 56.090 59.849 -3.759 1
3 387 . 1 2 2 B 39 39 ARG CB C 268 27.500 30.193 -2.693 1
3 390 . 1 2 2 B 39 39 ARG N N 268 123.100 123.766 -0.666 1
3 391 . 1 2 2 B 40 40 THR H H 269 8.020 7.766 0.254 1
3 392 . 1 2 2 B 40 40 THR HA H 269 4.340 4.458 -0.118 1
3 397 . 1 2 2 B 40 40 THR CA C 269 57.690 61.401 -3.711 1
3 398 . 1 2 2 B 40 40 THR CB C 269 66.360 69.457 -3.097 1
3 400 . 1 2 2 B 40 40 THR N N 269 118.130 114.291 3.839 1
3 401 . 1 2 2 B 41 41 PRO HA H 270 4.290 4.638 -0.348 1
3 408 . 1 2 2 B 41 41 PRO CA C 270 60.920 64.484 -3.564 1
3 409 . 1 2 2 B 41 41 PRO CB C 270 29.500 32.006 -2.506 1
3 412 . 1 2 2 B 42 42 GLY H H 271 8.460 8.268 0.192 1
3 413 . 1 2 2 B 42 42 GLY HA2 H 271 4.040 4.020 0.020 1
3 414 . 1 2 2 B 42 42 GLY HA3 H 271 3.530 4.129 -0.599 1
3 415 . 1 2 2 B 42 42 GLY CA C 271 42.650 45.703 -3.053 1
3 416 . 1 2 2 B 42 42 GLY N N 271 111.130 106.624 4.506 1
3 417 . 1 2 2 B 43 43 THR H H 272 7.320 6.981 0.339 1
3 418 . 1 2 2 B 43 43 THR HA H 272 4.620 4.622 -0.002 1
3 423 . 1 2 2 B 43 43 THR CA C 272 57.680 61.385 -3.705 1
3 424 . 1 2 2 B 43 43 THR CB C 272 69.400 69.921 -0.521 1
3 426 . 1 2 2 B 43 43 THR N N 272 110.850 113.788 -2.938 1
3 427 . 1 2 2 B 44 44 TYR H H 273 9.560 7.995 1.565 1
3 428 . 1 2 2 B 44 44 TYR HA H 273 5.260 4.773 0.487 1
3 434 . 1 2 2 B 44 44 TYR CA C 273 55.740 58.252 -2.512 1
3 435 . 1 2 2 B 44 44 TYR CB C 273 40.560 39.423 1.137 1
3 438 . 1 2 2 B 44 44 TYR N N 273 122.230 127.138 -4.908 1
3 439 . 1 2 2 B 45 45 THR H H 274 9.240 9.160 0.080 1
3 440 . 1 2 2 B 45 45 THR HA H 274 4.950 5.116 -0.166 1
3 445 . 1 2 2 B 45 45 THR CA C 274 59.110 61.432 -2.322 1
3 446 . 1 2 2 B 45 45 THR CB C 274 70.390 71.637 -1.247 1
3 448 . 1 2 2 B 45 45 THR N N 274 118.150 114.696 3.454 1
3 449 . 1 2 2 B 46 46 VAL H H 275 9.370 8.634 0.736 1
3 450 . 1 2 2 B 46 46 VAL HA H 275 4.880 4.700 0.180 1
3 452 . 1 2 2 B 46 46 VAL CA C 275 58.370 62.203 -3.833 1
3 453 . 1 2 2 B 46 46 VAL CB C 275 30.970 31.163 -0.193 1
3 455 . 1 2 2 B 46 46 VAL N N 275 126.010 128.533 -2.523 1
3 456 . 1 2 2 B 47 47 SER H H 276 8.980 9.025 -0.045 1
3 457 . 1 2 2 B 47 47 SER HA H 276 5.500 4.695 0.805 1
3 460 . 1 2 2 B 47 47 SER CA C 276 55.840 58.263 -2.423 1
3 461 . 1 2 2 B 47 47 SER CB C 276 63.080 63.578 -0.498 1
3 462 . 1 2 2 B 47 47 SER N N 276 125.910 125.149 0.761 1
3 463 . 1 2 2 B 48 48 VAL H H 277 8.960 9.801 -0.841 1
3 464 . 1 2 2 B 48 48 VAL HA H 277 5.380 4.758 0.622 1
3 472 . 1 2 2 B 48 48 VAL CA C 277 56.360 61.305 -4.945 1
3 473 . 1 2 2 B 48 48 VAL CB C 277 33.740 33.248 0.492 1
3 476 . 1 2 2 B 48 48 VAL N N 277 122.030 127.370 -5.340 1
3 477 . 1 2 2 B 49 49 PHE H H 278 8.880 9.532 -0.652 1
3 478 . 1 2 2 B 49 49 PHE HA H 278 4.970 5.297 -0.327 1
3 484 . 1 2 2 B 49 49 PHE CA C 278 54.580 56.085 -1.505 1
3 485 . 1 2 2 B 49 49 PHE CB C 278 39.490 42.314 -2.824 1
3 486 . 1 2 2 B 49 49 PHE N N 278 128.450 128.389 0.061 1
3 487 . 1 2 2 B 50 50 THR H H 279 8.420 8.595 -0.175 1
3 488 . 1 2 2 B 50 50 THR HA H 279 4.760 4.309 0.451 1
3 493 . 1 2 2 B 50 50 THR CA C 279 57.170 59.877 -2.707 1
3 494 . 1 2 2 B 50 50 THR CB C 279 68.580 72.040 -3.460 1
3 496 . 1 2 2 B 50 50 THR N N 279 121.640 120.610 1.030 1
3 497 . 1 2 2 B 51 51 LYS H H 280 10.550 8.253 2.297 1
3 498 . 1 2 2 B 51 51 LYS HA H 280 4.460 4.503 -0.043 1
3 501 . 1 2 2 B 51 51 LYS CA C 280 53.640 56.882 -3.242 1
3 502 . 1 2 2 B 51 51 LYS CB C 280 29.780 32.019 -2.239 1
3 506 . 1 2 2 B 51 51 LYS N N 280 130.730 126.064 4.666 1
3 507 . 1 2 2 B 52 52 ALA H H 281 9.110 8.580 0.530 1
3 508 . 1 2 2 B 52 52 ALA HA H 281 3.590 4.630 -1.040 1
3 512 . 1 2 2 B 52 52 ALA CA C 281 50.660 50.822 -0.162 1
3 513 . 1 2 2 B 52 52 ALA CB C 281 16.940 21.973 -5.033 1
3 514 . 1 2 2 B 52 52 ALA N N 281 122.100 126.572 -4.472 1
3 515 . 1 2 2 B 53 53 ILE H H 282 8.940 8.693 0.247 1
3 516 . 1 2 2 B 53 53 ILE HA H 282 3.860 4.031 -0.171 1
3 526 . 1 2 2 B 53 53 ILE CA C 282 57.290 62.323 -5.033 1
3 527 . 1 2 2 B 53 53 ILE CB C 282 33.250 36.984 -3.734 1
3 531 . 1 2 2 B 53 53 ILE N N 282 121.660 115.564 6.096 1
3 532 . 1 2 2 B 54 54 ILE H H 283 8.010 8.499 -0.489 1
3 533 . 1 2 2 B 54 54 ILE HA H 283 3.970 4.062 -0.092 1
3 543 . 1 2 2 B 54 54 ILE CA C 283 61.650 63.153 -1.503 1
3 544 . 1 2 2 B 54 54 ILE CB C 283 35.190 38.471 -3.281 1
3 548 . 1 2 2 B 54 54 ILE N N 283 127.060 127.887 -0.827 1
3 549 . 1 2 2 B 55 55 SER H H 284 7.610 7.876 -0.266 1
3 550 . 1 2 2 B 55 55 SER HA H 284 4.180 4.284 -0.104 1
3 553 . 1 2 2 B 55 55 SER CA C 284 56.290 61.166 -4.876 1
3 554 . 1 2 2 B 55 55 SER CB C 284 60.710 62.963 -2.253 1
3 555 . 1 2 2 B 55 55 SER N N 284 111.910 116.513 -4.603 1
3 556 . 1 2 2 B 56 56 GLU H H 285 7.360 7.831 -0.471 1
3 557 . 1 2 2 B 56 56 GLU HA H 285 4.110 4.768 -0.658 1
3 560 . 1 2 2 B 56 56 GLU CA C 285 52.990 55.380 -2.390 1
3 561 . 1 2 2 B 56 56 GLU CB C 285 26.950 32.908 -5.958 1
3 563 . 1 2 2 B 56 56 GLU N N 285 124.910 119.108 5.802 1
3 564 . 1 2 2 B 57 57 ASN H H 286 7.940 9.032 -1.092 1
3 565 . 1 2 2 B 57 57 ASN HA H 286 4.860 5.427 -0.567 1
3 570 . 1 2 2 B 57 57 ASN CA C 286 46.360 50.430 -4.070 1
3 571 . 1 2 2 B 57 57 ASN CB C 286 37.400 41.636 -4.236 1
3 572 . 1 2 2 B 57 57 ASN N N 286 120.980 120.230 0.750 1
3 574 . 1 2 2 B 58 58 PRO HA H 287 4.740 4.836 -0.096 1
3 579 . 1 2 2 B 58 58 PRO CA C 287 61.270 62.849 -1.579 1
3 580 . 1 2 2 B 58 58 PRO CB C 287 33.950 32.766 1.184 1
3 583 . 1 2 2 B 59 59 CYS H H 288 8.180 8.641 -0.461 1
3 584 . 1 2 2 B 59 59 CYS HA H 288 4.450 5.122 -0.672 1
3 587 . 1 2 2 B 59 59 CYS CA C 288 54.210 57.586 -3.376 1
3 588 . 1 2 2 B 59 59 CYS CB C 288 27.480 31.501 -4.021 1
3 589 . 1 2 2 B 59 59 CYS N N 288 112.770 119.530 -6.760 1
3 590 . 1 2 2 B 60 60 ILE H H 289 8.170 8.653 -0.483 1
3 591 . 1 2 2 B 60 60 ILE HA H 289 4.770 4.666 0.104 1
3 601 . 1 2 2 B 60 60 ILE CA C 289 55.020 59.856 -4.836 1
3 602 . 1 2 2 B 60 60 ILE CB C 289 34.160 39.050 -4.890 1
3 606 . 1 2 2 B 60 60 ILE N N 289 121.110 125.036 -3.926 1
3 607 . 1 2 2 B 61 61 LYS H H 290 8.580 9.466 -0.886 1
3 608 . 1 2 2 B 61 61 LYS HA H 290 4.210 4.573 -0.363 1
3 611 . 1 2 2 B 61 61 LYS CA C 290 49.820 54.342 -4.522 1
3 612 . 1 2 2 B 61 61 LYS CB C 290 32.060 33.829 -1.769 1
3 616 . 1 2 2 B 61 61 LYS N N 290 125.300 127.453 -2.153 1
3 617 . 1 2 2 B 62 62 HIS H H 291 8.130 8.747 -0.617 1
3 618 . 1 2 2 B 62 62 HIS HA H 291 5.180 5.068 0.112 1
3 623 . 1 2 2 B 62 62 HIS CA C 291 51.700 53.767 -2.067 1
3 624 . 1 2 2 B 62 62 HIS CB C 291 29.920 31.333 -1.413 1
3 627 . 1 2 2 B 62 62 HIS N N 291 120.770 121.641 -0.871 1
3 628 . 1 2 2 B 63 63 TYR H H 292 9.740 8.768 0.972 1
3 629 . 1 2 2 B 63 63 TYR HA H 292 4.680 4.895 -0.215 1
3 634 . 1 2 2 B 63 63 TYR CA C 292 53.690 56.839 -3.149 1
3 635 . 1 2 2 B 63 63 TYR CB C 292 37.600 37.738 -0.138 1
3 637 . 1 2 2 B 63 63 TYR N N 292 123.110 124.330 -1.220 1
3 638 . 1 2 2 B 64 64 HIS H H 293 9.020 9.076 -0.056 1
3 639 . 1 2 2 B 64 64 HIS HA H 293 4.740 4.581 0.159 1
3 642 . 1 2 2 B 64 64 HIS CA C 293 54.550 57.895 -3.345 1
3 643 . 1 2 2 B 64 64 HIS CB C 293 27.890 30.471 -2.581 1
3 646 . 1 2 2 B 64 64 HIS N N 293 125.360 126.192 -0.832 1
3 647 . 1 2 2 B 65 65 ILE H H 294 8.750 8.784 -0.034 1
3 648 . 1 2 2 B 65 65 ILE HA H 294 3.930 3.948 -0.018 1
3 658 . 1 2 2 B 65 65 ILE CA C 294 60.460 62.228 -1.768 1
3 659 . 1 2 2 B 65 65 ILE CB C 294 33.240 37.696 -4.456 1
3 663 . 1 2 2 B 65 65 ILE N N 294 125.070 125.868 -0.798 1
3 664 . 1 2 2 B 66 66 LYS H H 295 8.660 8.064 0.596 1
3 665 . 1 2 2 B 66 66 LYS HA H 295 4.110 4.147 -0.037 1
3 670 . 1 2 2 B 66 66 LYS CA C 295 52.640 56.420 -3.780 1
3 671 . 1 2 2 B 66 66 LYS CB C 295 29.660 32.173 -2.513 1
3 675 . 1 2 2 B 66 66 LYS N N 295 131.830 127.459 4.371 1
3 676 . 1 2 2 B 67 67 GLU H H 296 7.900 8.604 -0.704 1
3 677 . 1 2 2 B 67 67 GLU HA H 296 5.290 5.047 0.243 1
3 680 . 1 2 2 B 67 67 GLU CA C 296 50.330 55.182 -4.852 1
3 681 . 1 2 2 B 67 67 GLU CB C 296 30.370 30.829 -0.459 1
3 683 . 1 2 2 B 67 67 GLU N N 296 115.750 124.619 -8.869 1
3 684 . 1 2 2 B 68 68 THR H H 297 8.550 9.254 -0.704 1
3 685 . 1 2 2 B 68 68 THR HA H 297 4.510 4.739 -0.229 1
3 690 . 1 2 2 B 68 68 THR CA C 297 57.680 60.425 -2.745 1
3 691 . 1 2 2 B 68 68 THR CB C 297 67.660 69.401 -1.741 1
3 693 . 1 2 2 B 68 68 THR N N 297 113.310 122.384 -9.074 1
3 694 . 1 2 2 B 69 69 ASN H H 298 8.350 8.899 -0.549 1
3 695 . 1 2 2 B 69 69 ASN HA H 298 4.800 4.665 0.135 1
3 700 . 1 2 2 B 69 69 ASN CA C 298 49.800 53.285 -3.485 1
3 701 . 1 2 2 B 69 69 ASN CB C 298 35.410 38.369 -2.959 1
3 702 . 1 2 2 B 69 69 ASN N N 298 114.870 128.084 -13.214 1
3 704 . 1 2 2 B 70 70 ASP H H 299 7.100 8.381 -1.281 1
3 705 . 1 2 2 B 70 70 ASP HA H 299 4.300 5.188 -0.888 1
3 708 . 1 2 2 B 70 70 ASP CA C 299 51.970 52.529 -0.559 1
3 709 . 1 2 2 B 70 70 ASP CB C 299 41.330 43.682 -2.352 1
3 710 . 1 2 2 B 70 70 ASP N N 299 117.030 126.148 -9.118 1
3 711 . 1 2 2 B 71 71 SER H H 300 8.140 8.521 -0.381 1
3 712 . 1 2 2 B 71 71 SER HA H 300 4.540 4.826 -0.286 1
3 715 . 1 2 2 B 71 71 SER CA C 300 51.670 55.961 -4.291 1
3 716 . 1 2 2 B 71 71 SER CB C 300 61.600 63.395 -1.795 1
3 717 . 1 2 2 B 71 71 SER N N 300 112.930 115.562 -2.632 1
3 718 . 1 2 2 B 72 72 PRO HA H 301 4.650 4.437 0.213 1
3 725 . 1 2 2 B 72 72 PRO CA C 301 60.310 65.086 -4.776 1
3 726 . 1 2 2 B 72 72 PRO CB C 301 32.150 31.620 0.530 1
3 729 . 1 2 2 B 73 73 LYS H H 302 8.080 8.204 -0.124 1
3 730 . 1 2 2 B 73 73 LYS HA H 302 3.520 4.015 -0.495 1
3 733 . 1 2 2 B 73 73 LYS CA C 302 55.510 57.164 -1.654 1
3 734 . 1 2 2 B 73 73 LYS CB C 302 30.920 31.272 -0.352 1
3 738 . 1 2 2 B 73 73 LYS N N 302 119.220 117.089 2.131 1
3 739 . 1 2 2 B 74 74 ARG H H 303 7.280 8.429 -1.149 1
3 740 . 1 2 2 B 74 74 ARG HA H 303 4.460 4.736 -0.276 1
3 746 . 1 2 2 B 74 74 ARG CA C 303 51.910 56.379 -4.469 1
3 747 . 1 2 2 B 74 74 ARG CB C 303 30.500 32.140 -1.640 1
3 750 . 1 2 2 B 74 74 ARG N N 303 119.550 118.722 0.828 1
3 752 . 1 2 2 B 75 75 TYR H H 304 8.800 7.580 1.220 1
3 753 . 1 2 2 B 75 75 TYR HA H 304 5.710 5.158 0.552 1
3 760 . 1 2 2 B 75 75 TYR CA C 304 54.920 56.653 -1.733 1
3 761 . 1 2 2 B 75 75 TYR CB C 304 40.830 40.259 0.571 1
3 762 . 1 2 2 B 75 75 TYR N N 304 115.290 119.528 -4.238 1
3 763 . 1 2 2 B 76 76 TYR H H 305 8.820 8.649 0.171 1
3 764 . 1 2 2 B 76 76 TYR HA H 305 5.190 5.486 -0.296 1
3 771 . 1 2 2 B 76 76 TYR CA C 305 55.340 56.911 -1.571 1
3 772 . 1 2 2 B 76 76 TYR CB C 305 38.670 40.244 -1.574 1
3 775 . 1 2 2 B 76 76 TYR N N 305 116.200 119.599 -3.399 1
3 776 . 1 2 2 B 77 77 VAL H H 306 9.900 9.109 0.791 1
3 777 . 1 2 2 B 77 77 VAL HA H 306 4.490 4.504 -0.014 1
3 785 . 1 2 2 B 77 77 VAL CA C 306 59.740 60.906 -1.166 1
3 786 . 1 2 2 B 77 77 VAL CB C 306 30.880 31.937 -1.057 1
3 789 . 1 2 2 B 77 77 VAL N N 306 114.290 116.871 -2.581 1
3 790 . 1 2 2 B 78 78 ALA H H 307 9.310 8.761 0.549 1
3 791 . 1 2 2 B 78 78 ALA HA H 307 4.690 4.512 0.178 1
3 795 . 1 2 2 B 78 78 ALA CA C 307 48.680 52.324 -3.644 1
3 796 . 1 2 2 B 78 78 ALA CB C 307 19.010 21.567 -2.557 1
3 797 . 1 2 2 B 78 78 ALA N N 307 128.280 126.877 1.403 1
3 798 . 1 2 2 B 79 79 GLU H H 308 8.740 8.855 -0.115 1
3 799 . 1 2 2 B 79 79 GLU HA H 308 3.050 3.691 -0.641 1
3 802 . 1 2 2 B 79 79 GLU CA C 308 56.960 57.808 -0.848 1
3 803 . 1 2 2 B 79 79 GLU CB C 308 26.880 27.492 -0.612 1
3 805 . 1 2 2 B 79 79 GLU N N 308 121.520 114.636 6.884 1
3 806 . 1 2 2 B 80 80 LYS H H 309 7.770 8.147 -0.377 1
3 807 . 1 2 2 B 80 80 LYS HA H 309 3.550 4.008 -0.458 1
3 812 . 1 2 2 B 80 80 LYS CA C 309 55.010 57.897 -2.887 1
3 813 . 1 2 2 B 80 80 LYS CB C 309 29.470 32.282 -2.812 1
3 817 . 1 2 2 B 80 80 LYS N N 309 113.690 118.741 -5.051 1
3 818 . 1 2 2 B 81 81 TYR H H 310 7.770 7.779 -0.009 1
3 819 . 1 2 2 B 81 81 TYR HA H 310 4.260 5.051 -0.791 1
3 826 . 1 2 2 B 81 81 TYR CA C 310 54.230 56.431 -2.201 1
3 827 . 1 2 2 B 81 81 TYR CB C 310 36.270 40.871 -4.601 1
3 830 . 1 2 2 B 81 81 TYR N N 310 120.440 115.355 5.085 1
3 831 . 1 2 2 B 82 82 VAL H H 311 7.200 8.376 -1.176 1
3 832 . 1 2 2 B 82 82 VAL HA H 311 4.600 4.764 -0.164 1
3 840 . 1 2 2 B 82 82 VAL CA C 311 57.520 60.861 -3.341 1
3 841 . 1 2 2 B 82 82 VAL CB C 311 30.970 34.910 -3.940 1
3 844 . 1 2 2 B 82 82 VAL N N 311 121.020 120.281 0.739 1
3 845 . 1 2 2 B 83 83 PHE H H 312 9.280 9.781 -0.501 1
3 846 . 1 2 2 B 83 83 PHE HA H 312 4.810 5.109 -0.299 1
3 854 . 1 2 2 B 83 83 PHE CA C 312 54.990 56.047 -1.057 1
3 855 . 1 2 2 B 83 83 PHE CB C 312 43.140 42.722 0.418 1
3 856 . 1 2 2 B 83 83 PHE N N 312 121.070 125.031 -3.961 1
3 857 . 1 2 2 B 84 84 ASP H H 313 9.160 9.281 -0.121 1
3 858 . 1 2 2 B 84 84 ASP HA H 313 4.570 4.733 -0.163 1
3 861 . 1 2 2 B 84 84 ASP CA C 313 53.940 54.496 -0.556 1
3 862 . 1 2 2 B 84 84 ASP CB C 313 38.640 41.949 -3.309 1
3 863 . 1 2 2 B 84 84 ASP N N 313 117.870 123.153 -5.283 1
3 864 . 1 2 2 B 85 85 SER H H 314 7.600 8.004 -0.404 1
3 865 . 1 2 2 B 85 85 SER HA H 314 4.710 5.039 -0.329 1
3 868 . 1 2 2 B 85 85 SER CA C 314 53.690 56.760 -3.070 1
3 869 . 1 2 2 B 85 85 SER CB C 314 63.900 65.671 -1.771 1
3 870 . 1 2 2 B 85 85 SER N N 314 110.480 113.543 -3.063 1
3 871 . 1 2 2 B 86 86 ILE H H 315 8.920 9.141 -0.221 1
3 872 . 1 2 2 B 86 86 ILE HA H 315 3.490 3.886 -0.396 1
3 882 . 1 2 2 B 86 86 ILE CA C 315 63.970 66.084 -2.114 1
3 883 . 1 2 2 B 86 86 ILE CB C 315 32.780 35.317 -2.537 1
3 887 . 1 2 2 B 86 86 ILE N N 315 120.570 129.051 -8.481 1
3 888 . 1 2 2 B 87 87 PRO HA H 316 3.850 3.968 -0.118 1
3 895 . 1 2 2 B 87 87 PRO CA C 316 64.140 66.041 -1.901 1
3 896 . 1 2 2 B 87 87 PRO CB C 316 28.290 30.842 -2.552 1
3 899 . 1 2 2 B 88 88 LEU H H 317 7.200 7.666 -0.466 1
3 900 . 1 2 2 B 88 88 LEU HA H 317 3.860 3.872 -0.012 1
3 910 . 1 2 2 B 88 88 LEU CA C 317 55.370 57.564 -2.194 1
3 911 . 1 2 2 B 88 88 LEU CB C 317 39.260 41.710 -2.450 1
3 915 . 1 2 2 B 88 88 LEU N N 317 116.370 116.534 -0.164 1
3 916 . 1 2 2 B 89 89 LEU H H 318 7.110 7.932 -0.822 1
3 917 . 1 2 2 B 89 89 LEU HA H 318 2.530 3.371 -0.841 1
3 927 . 1 2 2 B 89 89 LEU CA C 318 55.390 57.719 -2.329 1
3 928 . 1 2 2 B 89 89 LEU CB C 318 40.270 41.515 -1.245 1
3 932 . 1 2 2 B 89 89 LEU N N 318 124.140 119.507 4.633 1
3 933 . 1 2 2 B 90 90 ILE H H 319 7.860 7.543 0.317 1
3 934 . 1 2 2 B 90 90 ILE HA H 319 2.950 3.148 -0.198 1
3 944 . 1 2 2 B 90 90 ILE CA C 319 58.340 64.116 -5.776 1
3 945 . 1 2 2 B 90 90 ILE CB C 319 31.920 36.449 -4.529 1
3 949 . 1 2 2 B 90 90 ILE N N 319 119.220 119.269 -0.049 1
3 950 . 1 2 2 B 91 91 GLN H H 320 7.730 7.571 0.159 1
3 951 . 1 2 2 B 91 91 GLN HA H 320 3.960 3.944 0.016 1
3 958 . 1 2 2 B 91 91 GLN CA C 320 56.230 58.765 -2.535 1
3 959 . 1 2 2 B 91 91 GLN CB C 320 26.080 28.488 -2.408 1
3 961 . 1 2 2 B 91 91 GLN N N 320 116.670 118.578 -1.908 1
3 963 . 1 2 2 B 92 92 TYR H H 321 7.510 8.101 -0.591 1
3 964 . 1 2 2 B 92 92 TYR HA H 321 3.830 4.182 -0.352 1
3 971 . 1 2 2 B 92 92 TYR CA C 321 59.830 61.364 -1.534 1
3 972 . 1 2 2 B 92 92 TYR CB C 321 36.420 38.306 -1.886 1
3 973 . 1 2 2 B 92 92 TYR N N 321 118.690 121.712 -3.022 1
3 974 . 1 2 2 B 93 93 HIS H H 322 7.600 7.649 -0.049 1
3 975 . 1 2 2 B 93 93 HIS HA H 322 4.500 3.622 0.878 1
3 981 . 1 2 2 B 93 93 HIS CA C 322 55.380 58.567 -3.187 1
3 982 . 1 2 2 B 93 93 HIS CB C 322 25.270 28.640 -3.370 1
3 985 . 1 2 2 B 93 93 HIS N N 322 116.790 117.193 -0.403 1
3 986 . 1 2 2 B 94 94 GLN H H 323 7.550 7.701 -0.151 1
3 987 . 1 2 2 B 94 94 GLN HA H 323 4.370 3.979 0.391 1
3 993 . 1 2 2 B 94 94 GLN CA C 323 54.890 58.310 -3.420 1
3 994 . 1 2 2 B 94 94 GLN CB C 323 27.470 28.627 -1.157 1
3 996 . 1 2 2 B 94 94 GLN N N 323 119.440 119.097 0.343 1
3 998 . 1 2 2 B 95 95 TYR H H 324 6.720 7.481 -0.761 1
3 999 . 1 2 2 B 95 95 TYR HA H 324 4.280 4.791 -0.511 1
3 1004 . 1 2 2 B 95 95 TYR CA C 324 55.700 57.873 -2.173 1
3 1005 . 1 2 2 B 95 95 TYR CB C 324 37.540 39.786 -2.246 1
3 1008 . 1 2 2 B 95 95 TYR N N 324 114.850 117.250 -2.400 1
3 1009 . 1 2 2 B 96 96 ASN H H 325 7.520 8.967 -1.447 1
3 1010 . 1 2 2 B 96 96 ASN HA H 325 4.470 4.467 0.003 1
3 1015 . 1 2 2 B 96 96 ASN CA C 325 49.420 55.163 -5.743 1
3 1016 . 1 2 2 B 96 96 ASN CB C 325 38.700 37.342 1.358 1
3 1017 . 1 2 2 B 96 96 ASN N N 325 117.860 120.738 -2.878 1
3 1019 . 1 2 2 B 97 97 GLY H H 326 8.660 8.193 0.467 1
3 1020 . 1 2 2 B 97 97 GLY CA C 326 43.670 45.134 -1.464 1
3 1021 . 1 2 2 B 97 97 GLY N N 326 109.820 108.612 1.208 1
3 1022 . 1 2 2 B 98 98 GLY H H 327 8.210 8.807 -0.597 1
3 1023 . 1 2 2 B 98 98 GLY HA2 H 327 4.320 3.765 0.555 1
3 1024 . 1 2 2 B 98 98 GLY HA3 H 327 3.690 4.423 -0.733 1
3 1025 . 1 2 2 B 98 98 GLY CA C 327 43.900 44.247 -0.347 1
3 1026 . 1 2 2 B 98 98 GLY N N 327 107.360 111.323 -3.963 1
3 1027 . 1 2 2 B 99 99 GLY H H 328 8.240 9.026 -0.786 1
3 1028 . 1 2 2 B 99 99 GLY HA2 H 328 4.090 3.945 0.145 1
3 1029 . 1 2 2 B 99 99 GLY HA3 H 328 3.510 3.989 -0.479 1
3 1030 . 1 2 2 B 99 99 GLY CA C 328 42.500 46.642 -4.142 1
3 1031 . 1 2 2 B 99 99 GLY N N 328 106.540 108.149 -1.609 1
3 1032 . 1 2 2 B 100 100 LEU H H 329 7.650 7.121 0.529 1
3 1033 . 1 2 2 B 100 100 LEU HA H 329 4.140 4.554 -0.414 1
3 1043 . 1 2 2 B 100 100 LEU CA C 329 51.300 52.990 -1.690 1
3 1044 . 1 2 2 B 100 100 LEU CB C 329 40.320 45.061 -4.741 1
3 1048 . 1 2 2 B 100 100 LEU N N 329 119.150 120.151 -1.001 1
3 1049 . 1 2 2 B 101 101 VAL H H 330 7.390 8.542 -1.152 1
3 1050 . 1 2 2 B 101 101 VAL HA H 330 3.790 3.932 -0.142 1
3 1055 . 1 2 2 B 101 101 VAL CA C 330 60.910 64.439 -3.529 1
3 1056 . 1 2 2 B 101 101 VAL CB C 330 29.280 31.691 -2.411 1
3 1058 . 1 2 2 B 101 101 VAL N N 330 114.690 125.339 -10.649 1
3 1059 . 1 2 2 B 102 102 THR H H 331 6.930 7.455 -0.525 1
3 1060 . 1 2 2 B 102 102 THR HA H 331 4.260 4.551 -0.291 1
3 1065 . 1 2 2 B 102 102 THR CA C 331 56.880 60.965 -4.085 1
3 1066 . 1 2 2 B 102 102 THR CB C 331 67.300 70.438 -3.138 1
3 1068 . 1 2 2 B 102 102 THR N N 331 112.890 107.996 4.894 1
3 1069 . 1 2 2 B 103 103 ARG H H 332 7.390 7.897 -0.507 1
3 1070 . 1 2 2 B 103 103 ARG HA H 332 3.960 3.997 -0.037 1
3 1073 . 1 2 2 B 103 103 ARG CA C 332 53.460 56.390 -2.930 1
3 1074 . 1 2 2 B 103 103 ARG CB C 332 28.780 29.066 -0.286 1
3 1077 . 1 2 2 B 103 103 ARG N N 332 120.110 118.243 1.867 1
3 1078 . 1 2 2 B 104 104 LEU H H 333 7.350 7.891 -0.541 1
3 1079 . 1 2 2 B 104 104 LEU HA H 333 3.610 4.025 -0.415 1
3 1089 . 1 2 2 B 104 104 LEU CA C 333 50.830 55.750 -4.920 1
3 1090 . 1 2 2 B 104 104 LEU CB C 333 34.160 41.517 -7.357 1
3 1094 . 1 2 2 B 104 104 LEU N N 333 119.490 125.040 -5.550 1
3 1095 . 1 2 2 B 105 105 ARG H H 334 8.170 8.832 -0.662 1
3 1096 . 1 2 2 B 105 105 ARG HA H 334 4.110 4.429 -0.319 1
3 1097 . 1 2 2 B 105 105 ARG CA C 334 55.210 56.678 -1.468 1
3 1098 . 1 2 2 B 105 105 ARG CB C 334 31.200 33.475 -2.275 1
3 1101 . 1 2 2 B 105 105 ARG N N 334 122.170 125.630 -3.460 1
3 1102 . 1 2 2 B 106 106 TYR H H 335 7.610 7.867 -0.257 1
3 1103 . 1 2 2 B 106 106 TYR HA H 335 5.160 4.888 0.272 1
3 1108 . 1 2 2 B 106 106 TYR CA C 335 51.850 56.262 -4.412 1
3 1109 . 1 2 2 B 106 106 TYR CB C 335 37.710 39.930 -2.220 1
3 1110 . 1 2 2 B 106 106 TYR N N 335 118.130 118.541 -0.411 1
3 1111 . 1 2 2 B 107 107 PRO HA H 336 3.490 3.508 -0.018 1
3 1118 . 1 2 2 B 107 107 PRO CA C 336 59.540 62.130 -2.590 1
3 1119 . 1 2 2 B 107 107 PRO CB C 336 30.010 32.184 -2.174 1
3 1122 . 1 2 2 B 108 108 VAL H H 337 8.160 7.758 0.402 1
3 1123 . 1 2 2 B 108 108 VAL HA H 337 3.940 4.713 -0.773 1
3 1131 . 1 2 2 B 108 108 VAL CA C 337 59.350 60.353 -1.003 1
3 1132 . 1 2 2 B 108 108 VAL CB C 337 30.660 35.445 -4.785 1
3 1135 . 1 2 2 B 108 108 VAL N N 337 124.750 120.080 4.670 1
3 1136 . 1 2 2 B 109 109 CYS H H 338 8.200 8.890 -0.690 1
3 1137 . 1 2 2 B 109 109 CYS HA H 338 4.630 5.199 -0.569 1
3 1140 . 1 2 2 B 109 109 CYS CA C 338 54.760 57.308 -2.548 1
3 1141 . 1 2 2 B 109 109 CYS CB C 338 26.090 30.866 -4.776 1
3 1142 . 1 2 2 B 109 109 CYS N N 338 124.320 125.151 -0.831 1
4 4 . 1 1 1 A 2 2 SER HA H 170 4.480 4.138 0.342 1
4 5 . 1 1 1 A 2 2 SER CA C 170 53.340 58.788 -5.448 1
4 6 . 1 1 1 A 2 2 SER CB C 170 61.220 61.957 -0.737 1
4 7 . 1 1 1 A 3 3 PRO HA H 171 4.280 4.360 -0.080 1
4 12 . 1 1 1 A 3 3 PRO C C 171 174.250 176.958 -2.708 1
4 13 . 1 1 1 A 3 3 PRO CA C 171 61.250 65.410 -4.160 1
4 14 . 1 1 1 A 3 3 PRO CB C 171 29.410 31.304 -1.894 1
4 17 . 1 1 1 A 4 4 GLU H H 172 8.320 8.351 -0.031 1
4 18 . 1 1 1 A 4 4 GLU HA H 172 4.080 4.437 -0.357 1
4 23 . 1 1 1 A 4 4 GLU C C 172 173.560 176.073 -2.513 1
4 24 . 1 1 1 A 4 4 GLU CA C 172 54.430 57.282 -2.852 1
4 25 . 1 1 1 A 4 4 GLU CB C 172 27.260 32.727 -5.467 1
4 27 . 1 1 1 A 4 4 GLU N N 172 119.340 115.861 3.479 1
4 28 . 1 1 1 A 5 5 GLU H H 173 8.030 8.169 -0.139 1
4 29 . 1 1 1 A 5 5 GLU HA H 173 4.250 5.029 -0.779 1
4 32 . 1 1 1 A 5 5 GLU C C 173 173.220 174.210 -0.990 1
4 33 . 1 1 1 A 5 5 GLU CA C 173 54.170 54.761 -0.591 1
4 34 . 1 1 1 A 5 5 GLU CB C 173 28.110 33.233 -5.123 1
4 36 . 1 1 1 A 5 5 GLU N N 173 120.540 116.496 4.044 1
4 37 . 1 1 1 A 6 6 THR H H 174 8.550 8.788 -0.238 1
4 38 . 1 1 1 A 6 6 THR HA H 174 4.270 4.916 -0.646 1
4 43 . 1 1 1 A 6 6 THR C C 174 170.120 172.506 -2.386 1
4 44 . 1 1 1 A 6 6 THR CA C 174 59.950 59.481 0.469 1
4 45 . 1 1 1 A 6 6 THR CB C 174 67.500 71.543 -4.043 1
4 47 . 1 1 1 A 6 6 THR N N 174 118.970 114.961 4.009 1
4 48 . 1 1 1 A 7 7 LEU H H 175 8.430 8.646 -0.216 1
4 49 . 1 1 1 A 7 7 LEU HA H 175 5.060 5.332 -0.272 1
4 59 . 1 1 1 A 7 7 LEU C C 175 174.370 176.072 -1.702 1
4 60 . 1 1 1 A 7 7 LEU CA C 175 51.340 53.339 -1.999 1
4 61 . 1 1 1 A 7 7 LEU CB C 175 41.990 44.641 -2.651 1
4 65 . 1 1 1 A 7 7 LEU N N 175 127.150 123.771 3.379 1
4 66 . 1 1 1 A 8 8 VAL H H 176 9.210 8.934 0.276 1
4 67 . 1 1 1 A 8 8 VAL HA H 176 5.110 5.313 -0.203 1
4 75 . 1 1 1 A 8 8 VAL C C 176 170.850 174.626 -3.776 1
4 76 . 1 1 1 A 8 8 VAL CA C 176 55.440 59.285 -3.845 1
4 77 . 1 1 1 A 8 8 VAL CB C 176 33.010 35.667 -2.657 1
4 80 . 1 1 1 A 8 8 VAL N N 176 114.580 117.405 -2.825 1
4 81 . 1 1 1 A 9 9 ILE H H 177 9.260 8.212 1.048 1
4 82 . 1 1 1 A 9 9 ILE HA H 177 5.000 5.065 -0.065 1
4 92 . 1 1 1 A 9 9 ILE C C 177 173.310 174.960 -1.650 1
4 93 . 1 1 1 A 9 9 ILE CA C 177 56.040 59.809 -3.769 1
4 94 . 1 1 1 A 9 9 ILE CB C 177 38.730 42.194 -3.464 1
4 98 . 1 1 1 A 9 9 ILE N N 177 120.620 121.748 -1.128 1
4 99 . 1 1 1 A 10 10 ALA H H 178 8.170 8.492 -0.322 1
4 100 . 1 1 1 A 10 10 ALA HA H 178 4.980 4.747 0.233 1
4 104 . 1 1 1 A 10 10 ALA C C 178 176.180 178.181 -2.001 1
4 105 . 1 1 1 A 10 10 ALA CA C 178 48.680 51.900 -3.220 1
4 106 . 1 1 1 A 10 10 ALA CB C 178 17.340 19.050 -1.710 1
4 107 . 1 1 1 A 10 10 ALA N N 178 125.400 128.303 -2.903 1
4 108 . 1 1 1 A 11 11 LEU H H 179 9.280 8.578 0.702 1
4 109 . 1 1 1 A 11 11 LEU HA H 179 3.890 3.910 -0.020 1
4 119 . 1 1 1 A 11 11 LEU C C 179 172.780 176.318 -3.538 1
4 120 . 1 1 1 A 11 11 LEU CA C 179 52.830 57.091 -4.261 1
4 121 . 1 1 1 A 11 11 LEU CB C 179 41.260 41.785 -0.525 1
4 125 . 1 1 1 A 11 11 LEU N N 179 125.950 125.563 0.387 1
4 126 . 1 1 1 A 12 12 TYR H H 180 7.050 7.706 -0.656 1
4 127 . 1 1 1 A 12 12 TYR HA H 180 4.540 4.827 -0.287 1
4 130 . 1 1 1 A 12 12 TYR C C 180 171.060 174.333 -3.273 1
4 131 . 1 1 1 A 12 12 TYR CA C 180 50.730 56.866 -6.136 1
4 132 . 1 1 1 A 12 12 TYR CB C 180 40.100 41.489 -1.389 1
4 133 . 1 1 1 A 12 12 TYR N N 180 112.080 115.131 -3.051 1
4 134 . 1 1 1 A 13 13 ASP H H 181 8.080 8.608 -0.528 1
4 135 . 1 1 1 A 13 13 ASP HA H 181 4.480 4.882 -0.402 1
4 138 . 1 1 1 A 13 13 ASP C C 181 173.220 174.583 -1.363 1
4 139 . 1 1 1 A 13 13 ASP CA C 181 51.870 52.980 -1.110 1
4 140 . 1 1 1 A 13 13 ASP CB C 181 39.090 40.068 -0.978 1
4 141 . 1 1 1 A 13 13 ASP N N 181 117.790 122.332 -4.542 1
4 142 . 1 1 1 A 14 14 TYR H H 182 8.630 8.775 -0.145 1
4 143 . 1 1 1 A 14 14 TYR HA H 182 4.820 4.942 -0.122 1
4 144 . 1 1 1 A 14 14 TYR C C 182 171.110 175.149 -4.039 1
4 145 . 1 1 1 A 14 14 TYR CA C 182 54.940 58.880 -3.940 1
4 146 . 1 1 1 A 14 14 TYR CB C 182 38.790 39.940 -1.150 1
4 147 . 1 1 1 A 14 14 TYR N N 182 121.410 127.856 -6.446 1
4 148 . 1 1 1 A 15 15 GLN H H 183 7.880 7.912 -0.032 1
4 149 . 1 1 1 A 15 15 GLN HA H 183 4.360 4.822 -0.462 1
4 154 . 1 1 1 A 15 15 GLN C C 183 171.200 174.229 -3.029 1
4 155 . 1 1 1 A 15 15 GLN CA C 183 51.630 53.967 -2.337 1
4 156 . 1 1 1 A 15 15 GLN CB C 183 26.820 32.322 -5.502 1
4 158 . 1 1 1 A 15 15 GLN N N 183 125.990 126.069 -0.079 1
4 160 . 1 1 1 A 16 16 THR H H 184 7.780 9.051 -1.271 1
4 161 . 1 1 1 A 16 16 THR HA H 184 4.240 4.579 -0.339 1
4 166 . 1 1 1 A 16 16 THR C C 184 169.150 174.428 -5.278 1
4 167 . 1 1 1 A 16 16 THR CA C 184 56.900 62.175 -5.275 1
4 168 . 1 1 1 A 16 16 THR CB C 184 66.050 70.064 -4.014 1
4 170 . 1 1 1 A 16 16 THR N N 184 115.350 119.979 -4.629 1
4 171 . 1 1 1 A 17 17 ASN H H 185 8.550 9.147 -0.597 1
4 172 . 1 1 1 A 17 17 ASN HA H 185 4.800 5.012 -0.212 1
4 177 . 1 1 1 A 17 17 ASN C C 185 171.880 174.524 -2.644 1
4 178 . 1 1 1 A 17 17 ASN CA C 185 49.560 52.958 -3.398 1
4 179 . 1 1 1 A 17 17 ASN CB C 185 37.270 40.301 -3.031 1
4 180 . 1 1 1 A 17 17 ASN N N 185 122.730 120.486 2.244 1
4 182 . 1 1 1 A 18 18 ASP H H 186 8.440 7.711 0.729 1
4 183 . 1 1 1 A 18 18 ASP HA H 186 4.720 5.129 -0.409 1
4 186 . 1 1 1 A 18 18 ASP CA C 186 49.410 50.679 -1.269 1
4 187 . 1 1 1 A 18 18 ASP CB C 186 40.480 42.768 -2.288 1
4 188 . 1 1 1 A 18 18 ASP N N 186 125.820 118.036 7.784 1
4 189 . 1 1 1 A 19 19 PRO HA H 187 4.410 4.339 0.071 1
4 194 . 1 1 1 A 19 19 PRO C C 187 174.890 178.825 -3.935 1
4 195 . 1 1 1 A 19 19 PRO CA C 187 61.870 65.471 -3.601 1
4 196 . 1 1 1 A 19 19 PRO CB C 187 29.790 31.679 -1.889 1
4 199 . 1 1 1 A 20 20 GLN H H 188 8.800 8.540 0.260 1
4 200 . 1 1 1 A 20 20 GLN HA H 188 4.470 4.020 0.450 1
4 205 . 1 1 1 A 20 20 GLN C C 188 174.070 176.933 -2.863 1
4 206 . 1 1 1 A 20 20 GLN CA C 188 53.450 59.197 -5.747 1
4 207 . 1 1 1 A 20 20 GLN CB C 188 27.170 28.296 -1.126 1
4 209 . 1 1 1 A 20 20 GLN N N 188 115.800 117.172 -1.372 1
4 211 . 1 1 1 A 21 21 GLU H H 189 7.890 7.830 0.060 1
4 212 . 1 1 1 A 21 21 GLU HA H 189 5.340 4.618 0.722 1
4 215 . 1 1 1 A 21 21 GLU C C 189 171.580 175.567 -3.987 1
4 216 . 1 1 1 A 21 21 GLU CA C 189 52.400 57.208 -4.808 1
4 217 . 1 1 1 A 21 21 GLU CB C 189 31.190 30.290 0.900 1
4 219 . 1 1 1 A 21 21 GLU N N 189 120.420 118.174 2.246 1
4 220 . 1 1 1 A 22 22 LEU H H 190 8.050 8.626 -0.576 1
4 221 . 1 1 1 A 22 22 LEU HA H 190 4.360 4.997 -0.637 1
4 231 . 1 1 1 A 22 22 LEU C C 190 170.880 176.657 -5.777 1
4 232 . 1 1 1 A 22 22 LEU CA C 190 50.440 53.686 -3.246 1
4 233 . 1 1 1 A 22 22 LEU CB C 190 42.940 44.717 -1.777 1
4 237 . 1 1 1 A 22 22 LEU N N 190 122.970 124.700 -1.730 1
4 238 . 1 1 1 A 23 23 ALA H H 191 7.780 8.616 -0.836 1
4 239 . 1 1 1 A 23 23 ALA HA H 191 4.300 4.805 -0.505 1
4 243 . 1 1 1 A 23 23 ALA C C 191 174.830 177.679 -2.849 1
4 244 . 1 1 1 A 23 23 ALA CA C 191 49.650 52.835 -3.185 1
4 245 . 1 1 1 A 23 23 ALA CB C 191 16.330 19.217 -2.887 1
4 246 . 1 1 1 A 23 23 ALA N N 191 124.710 128.088 -3.378 1
4 247 . 1 1 1 A 24 24 LEU H H 192 8.540 8.944 -0.404 1
4 248 . 1 1 1 A 24 24 LEU HA H 192 4.930 5.401 -0.471 1
4 258 . 1 1 1 A 24 24 LEU C C 192 175.040 175.714 -0.674 1
4 259 . 1 1 1 A 24 24 LEU CA C 192 50.000 53.379 -3.379 1
4 260 . 1 1 1 A 24 24 LEU CB C 192 42.370 45.551 -3.181 1
4 264 . 1 1 1 A 24 24 LEU N N 192 117.070 121.079 -4.009 1
4 265 . 1 1 1 A 25 25 ARG H H 193 8.230 8.848 -0.618 1
4 266 . 1 1 1 A 25 25 ARG HA H 193 4.840 4.730 0.110 1
4 271 . 1 1 1 A 25 25 ARG C C 193 171.470 174.174 -2.704 1
4 272 . 1 1 1 A 25 25 ARG CA C 193 51.000 55.910 -4.910 1
4 273 . 1 1 1 A 25 25 ARG CB C 193 29.930 33.893 -3.963 1
4 276 . 1 1 1 A 25 25 ARG N N 193 123.480 120.228 3.252 1
4 278 . 1 1 1 A 26 26 CYS H H 194 8.850 8.520 0.330 1
4 279 . 1 1 1 A 26 26 CYS HA H 194 3.260 4.532 -1.272 1
4 280 . 1 1 1 A 26 26 CYS C C 194 172.080 175.291 -3.211 1
4 281 . 1 1 1 A 26 26 CYS CA C 194 58.800 59.411 -0.611 1
4 282 . 1 1 1 A 26 26 CYS CB C 194 24.000 28.387 -4.387 1
4 283 . 1 1 1 A 26 26 CYS N N 194 122.990 123.155 -0.165 1
4 284 . 1 1 1 A 27 27 ASP H H 195 8.890 8.957 -0.067 1
4 285 . 1 1 1 A 27 27 ASP HA H 195 4.140 4.172 -0.032 1
4 288 . 1 1 1 A 27 27 ASP C C 195 172.460 174.137 -1.677 1
4 289 . 1 1 1 A 27 27 ASP CA C 195 55.060 55.417 -0.357 1
4 290 . 1 1 1 A 27 27 ASP CB C 195 37.070 39.634 -2.564 1
4 291 . 1 1 1 A 27 27 ASP N N 195 120.590 120.570 0.020 1
4 292 . 1 1 1 A 28 28 GLU H H 196 8.280 7.429 0.851 1
4 293 . 1 1 1 A 28 28 GLU HA H 196 4.180 4.676 -0.496 1
4 294 . 1 1 1 A 28 28 GLU C C 196 170.880 175.096 -4.216 1
4 295 . 1 1 1 A 28 28 GLU CA C 196 54.050 55.047 -0.997 1
4 296 . 1 1 1 A 28 28 GLU CB C 196 27.260 31.937 -4.677 1
4 298 . 1 1 1 A 28 28 GLU N N 196 122.550 118.800 3.750 1
4 299 . 1 1 1 A 29 29 GLU H H 197 7.750 8.649 -0.899 1
4 300 . 1 1 1 A 29 29 GLU HA H 197 5.050 5.237 -0.187 1
4 303 . 1 1 1 A 29 29 GLU C C 197 172.340 173.906 -1.566 1
4 304 . 1 1 1 A 29 29 GLU CA C 197 51.660 54.328 -2.668 1
4 305 . 1 1 1 A 29 29 GLU CB C 197 29.810 33.281 -3.471 1
4 307 . 1 1 1 A 29 29 GLU N N 197 119.290 124.479 -5.189 1
4 308 . 1 1 1 A 30 30 TYR H H 198 9.100 8.857 0.243 1
4 309 . 1 1 1 A 30 30 TYR HA H 198 4.400 5.147 -0.747 1
4 312 . 1 1 1 A 30 30 TYR C C 198 171.550 173.785 -2.235 1
4 313 . 1 1 1 A 30 30 TYR CA C 198 53.850 56.456 -2.606 1
4 314 . 1 1 1 A 30 30 TYR CB C 198 39.430 43.581 -4.151 1
4 315 . 1 1 1 A 30 30 TYR N N 198 119.140 119.072 0.068 1
4 316 . 1 1 1 A 31 31 TYR H H 199 9.210 8.759 0.451 1
4 317 . 1 1 1 A 31 31 TYR HA H 199 4.820 5.363 -0.543 1
4 320 . 1 1 1 A 31 31 TYR C C 199 173.490 174.751 -1.261 1
4 321 . 1 1 1 A 31 31 TYR CA C 199 54.930 56.775 -1.845 1
4 322 . 1 1 1 A 31 31 TYR CB C 199 36.360 42.724 -6.364 1
4 323 . 1 1 1 A 31 31 TYR N N 199 119.550 118.572 0.978 1
4 324 . 1 1 1 A 32 32 LEU H H 200 8.780 8.486 0.294 1
4 325 . 1 1 1 A 32 32 LEU HA H 200 4.320 5.210 -0.890 1
4 335 . 1 1 1 A 32 32 LEU C C 200 172.580 175.669 -3.089 1
4 336 . 1 1 1 A 32 32 LEU CA C 200 52.210 53.650 -1.440 1
4 337 . 1 1 1 A 32 32 LEU CB C 200 40.010 45.401 -5.391 1
4 341 . 1 1 1 A 32 32 LEU N N 200 124.640 122.970 1.670 1
4 342 . 1 1 1 A 33 33 LEU H H 201 8.780 8.767 0.013 1
4 343 . 1 1 1 A 33 33 LEU HA H 201 4.380 4.631 -0.251 1
4 353 . 1 1 1 A 33 33 LEU C C 201 174.860 176.979 -2.119 1
4 354 . 1 1 1 A 33 33 LEU CA C 201 52.880 55.670 -2.790 1
4 355 . 1 1 1 A 33 33 LEU CB C 201 39.770 43.724 -3.954 1
4 359 . 1 1 1 A 33 33 LEU N N 201 127.460 126.843 0.617 1
4 360 . 1 1 1 A 34 34 ASP H H 202 7.420 7.994 -0.574 1
4 361 . 1 1 1 A 34 34 ASP HA H 202 4.670 4.910 -0.240 1
4 362 . 1 1 1 A 34 34 ASP C C 202 172.400 175.953 -3.553 1
4 363 . 1 1 1 A 34 34 ASP CA C 202 52.100 53.153 -1.053 1
4 364 . 1 1 1 A 34 34 ASP CB C 202 40.810 41.472 -0.662 1
4 365 . 1 1 1 A 34 34 ASP N N 202 114.900 119.553 -4.653 1
4 366 . 1 1 1 A 35 35 SER H H 203 9.020 8.865 0.155 1
4 367 . 1 1 1 A 35 35 SER HA H 203 4.260 3.979 0.281 1
4 370 . 1 1 1 A 35 35 SER C C 203 171.380 176.494 -5.114 1
4 371 . 1 1 1 A 35 35 SER CA C 203 54.280 59.741 -5.461 1
4 372 . 1 1 1 A 35 35 SER CB C 203 59.710 62.943 -3.233 1
4 373 . 1 1 1 A 35 35 SER N N 203 123.910 121.633 2.277 1
4 374 . 1 1 1 A 36 36 SER H H 204 8.530 7.437 1.093 1
4 375 . 1 1 1 A 36 36 SER HA H 204 3.980 4.302 -0.322 1
4 378 . 1 1 1 A 36 36 SER C C 204 172.840 175.246 -2.406 1
4 379 . 1 1 1 A 36 36 SER CA C 204 59.360 61.489 -2.129 1
4 380 . 1 1 1 A 36 36 SER CB C 204 60.710 62.510 -1.800 1
4 381 . 1 1 1 A 36 36 SER N N 204 118.780 113.962 4.818 1
4 382 . 1 1 1 A 37 37 GLU H H 205 8.820 7.769 1.051 1
4 383 . 1 1 1 A 37 37 GLU HA H 205 4.560 4.233 0.327 1
4 386 . 1 1 1 A 37 37 GLU C C 205 173.900 176.296 -2.396 1
4 387 . 1 1 1 A 37 37 GLU CA C 205 52.940 56.991 -4.051 1
4 388 . 1 1 1 A 37 37 GLU CB C 205 27.150 29.865 -2.715 1
4 390 . 1 1 1 A 37 37 GLU N N 205 122.890 121.799 1.091 1
4 391 . 1 1 1 A 38 38 ILE H H 206 8.150 8.124 0.026 1
4 392 . 1 1 1 A 38 38 ILE HA H 206 3.760 3.933 -0.173 1
4 402 . 1 1 1 A 38 38 ILE C C 206 176.060 177.509 -1.449 1
4 403 . 1 1 1 A 38 38 ILE CA C 206 62.050 63.405 -1.355 1
4 404 . 1 1 1 A 38 38 ILE CB C 206 35.420 37.557 -2.137 1
4 408 . 1 1 1 A 38 38 ILE N N 206 116.810 123.195 -6.385 1
4 409 . 1 1 1 A 39 39 HIS H H 207 8.440 6.705 1.735 1
4 410 . 1 1 1 A 39 39 HIS HA H 207 4.150 4.129 0.021 1
4 416 . 1 1 1 A 39 39 HIS C C 207 173.020 174.015 -0.995 1
4 417 . 1 1 1 A 39 39 HIS CA C 207 55.690 58.120 -2.430 1
4 418 . 1 1 1 A 39 39 HIS CB C 207 29.140 29.407 -0.267 1
4 421 . 1 1 1 A 39 39 HIS N N 207 116.600 118.204 -1.604 1
4 422 . 1 1 1 A 40 40 TRP H H 208 7.100 8.415 -1.315 1
4 423 . 1 1 1 A 40 40 TRP HA H 208 4.810 5.084 -0.274 1
4 432 . 1 1 1 A 40 40 TRP C C 208 171.200 175.152 -3.952 1
4 433 . 1 1 1 A 40 40 TRP CA C 208 53.660 55.460 -1.800 1
4 434 . 1 1 1 A 40 40 TRP CB C 208 29.830 32.197 -2.367 1
4 440 . 1 1 1 A 40 40 TRP N N 208 119.390 117.248 2.142 1
4 442 . 1 1 1 A 41 41 TRP H H 209 9.270 8.738 0.532 1
4 443 . 1 1 1 A 41 41 TRP HA H 209 5.390 5.295 0.095 1
4 452 . 1 1 1 A 41 41 TRP C C 209 172.020 176.077 -4.057 1
4 453 . 1 1 1 A 41 41 TRP CA C 209 50.600 55.725 -5.125 1
4 454 . 1 1 1 A 41 41 TRP CB C 209 29.620 30.591 -0.971 1
4 460 . 1 1 1 A 41 41 TRP N N 209 123.790 122.698 1.092 1
4 462 . 1 1 1 A 42 42 ARG H H 210 8.800 8.912 -0.112 1
4 463 . 1 1 1 A 42 42 ARG HA H 210 4.420 4.327 0.093 1
4 468 . 1 1 1 A 42 42 ARG C C 210 172.580 176.331 -3.751 1
4 469 . 1 1 1 A 42 42 ARG CA C 210 53.180 57.315 -4.135 1
4 470 . 1 1 1 A 42 42 ARG CB C 210 29.280 31.059 -1.779 1
4 473 . 1 1 1 A 42 42 ARG N N 210 123.290 125.391 -2.101 1
4 475 . 1 1 1 A 43 43 VAL H H 211 8.890 8.840 0.050 1
4 476 . 1 1 1 A 43 43 VAL HA H 211 5.360 5.243 0.117 1
4 484 . 1 1 1 A 43 43 VAL C C 211 170.440 173.631 -3.191 1
4 485 . 1 1 1 A 43 43 VAL CA C 211 56.190 58.906 -2.716 1
4 486 . 1 1 1 A 43 43 VAL CB C 211 34.090 35.941 -1.851 1
4 489 . 1 1 1 A 43 43 VAL N N 211 121.460 118.623 2.837 1
4 490 . 1 1 1 A 44 44 GLN H H 212 8.910 8.891 0.019 1
4 491 . 1 1 1 A 44 44 GLN HA H 212 5.620 5.055 0.565 1
4 498 . 1 1 1 A 44 44 GLN C C 212 172.900 174.839 -1.939 1
4 499 . 1 1 1 A 44 44 GLN CA C 212 50.830 54.326 -3.496 1
4 500 . 1 1 1 A 44 44 GLN CB C 212 32.450 31.917 0.533 1
4 502 . 1 1 1 A 44 44 GLN N N 212 119.220 121.842 -2.622 1
4 504 . 1 1 1 A 45 45 ASP H H 213 9.170 8.556 0.614 1
4 505 . 1 1 1 A 45 45 ASP HA H 213 4.970 4.788 0.182 1
4 508 . 1 1 1 A 45 45 ASP C C 213 175.510 177.600 -2.090 1
4 509 . 1 1 1 A 45 45 ASP CA C 213 49.920 54.676 -4.756 1
4 510 . 1 1 1 A 45 45 ASP CB C 213 40.390 42.858 -2.468 1
4 511 . 1 1 1 A 45 45 ASP N N 213 125.570 128.049 -2.479 1
4 512 . 1 1 1 A 46 46 LYS H H 214 8.860 8.758 0.102 1
4 513 . 1 1 1 A 46 46 LYS HA H 214 4.100 4.028 0.072 1
4 516 . 1 1 1 A 46 46 LYS C C 214 174.130 178.280 -4.150 1
4 517 . 1 1 1 A 46 46 LYS CA C 214 55.740 59.869 -4.129 1
4 518 . 1 1 1 A 46 46 LYS CB C 214 28.870 32.115 -3.245 1
4 522 . 1 1 1 A 46 46 LYS N N 214 117.280 125.853 -8.573 1
4 523 . 1 1 1 A 47 47 ASN H H 215 8.240 7.924 0.316 1
4 524 . 1 1 1 A 47 47 ASN HA H 215 4.800 4.667 0.133 1
4 529 . 1 1 1 A 47 47 ASN C C 215 172.460 175.852 -3.392 1
4 530 . 1 1 1 A 47 47 ASN CA C 215 50.400 53.894 -3.494 1
4 531 . 1 1 1 A 47 47 ASN CB C 215 37.100 38.564 -1.464 1
4 532 . 1 1 1 A 47 47 ASN N N 215 117.030 114.666 2.364 1
4 534 . 1 1 1 A 48 48 GLY H H 216 7.960 8.341 -0.381 1
4 535 . 1 1 1 A 48 48 GLY HA2 H 216 4.100 4.123 -0.023 1
4 536 . 1 1 1 A 48 48 GLY HA3 H 216 3.410 4.138 -0.728 1
4 537 . 1 1 1 A 48 48 GLY C C 216 171.670 174.563 -2.893 1
4 538 . 1 1 1 A 48 48 GLY CA C 216 42.750 45.507 -2.757 1
4 539 . 1 1 1 A 48 48 GLY N N 216 107.550 106.042 1.508 1
4 540 . 1 1 1 A 49 49 HIS H H 217 8.490 7.992 0.498 1
4 541 . 1 1 1 A 49 49 HIS HA H 217 4.590 4.565 0.025 1
4 547 . 1 1 1 A 49 49 HIS C C 217 171.140 173.859 -2.719 1
4 548 . 1 1 1 A 49 49 HIS CA C 217 53.480 55.543 -2.063 1
4 549 . 1 1 1 A 49 49 HIS CB C 217 26.840 29.727 -2.887 1
4 552 . 1 1 1 A 49 49 HIS N N 217 123.110 117.844 5.266 1
4 553 . 1 1 1 A 50 50 GLU H H 218 8.600 8.736 -0.136 1
4 554 . 1 1 1 A 50 50 GLU HA H 218 5.680 5.153 0.527 1
4 557 . 1 1 1 A 50 50 GLU C C 218 173.370 175.688 -2.318 1
4 558 . 1 1 1 A 50 50 GLU CA C 218 51.360 55.101 -3.741 1
4 559 . 1 1 1 A 50 50 GLU CB C 218 32.050 32.020 0.030 1
4 561 . 1 1 1 A 50 50 GLU N N 218 120.320 122.467 -2.147 1
4 562 . 1 1 1 A 51 51 GLY H H 219 8.500 8.399 0.101 1
4 563 . 1 1 1 A 51 51 GLY HA2 H 219 3.810 4.006 -0.196 1
4 564 . 1 1 1 A 51 51 GLY HA3 H 219 3.650 4.154 -0.504 1
4 565 . 1 1 1 A 51 51 GLY C C 219 167.980 171.163 -3.183 1
4 566 . 1 1 1 A 51 51 GLY CA C 219 42.690 45.540 -2.850 1
4 567 . 1 1 1 A 51 51 GLY N N 219 106.290 108.578 -2.288 1
4 568 . 1 1 1 A 52 52 TYR H H 220 8.820 8.486 0.334 1
4 569 . 1 1 1 A 52 52 TYR HA H 220 5.220 4.896 0.324 1
4 572 . 1 1 1 A 52 52 TYR C C 220 172.610 176.230 -3.620 1
4 573 . 1 1 1 A 52 52 TYR CA C 220 56.520 58.735 -2.215 1
4 574 . 1 1 1 A 52 52 TYR CB C 220 38.570 39.521 -0.951 1
4 575 . 1 1 1 A 52 52 TYR N N 220 118.140 119.720 -1.580 1
4 576 . 1 1 1 A 53 53 ALA H H 221 9.360 9.041 0.319 1
4 577 . 1 1 1 A 53 53 ALA HA H 221 4.750 5.083 -0.333 1
4 581 . 1 1 1 A 53 53 ALA CA C 221 47.010 49.497 -2.487 1
4 582 . 1 1 1 A 53 53 ALA CB C 221 18.810 21.700 -2.890 1
4 583 . 1 1 1 A 53 53 ALA N N 221 122.380 126.259 -3.879 1
4 584 . 1 1 1 A 54 54 PRO HA H 222 3.360 3.756 -0.396 1
4 591 . 1 1 1 A 54 54 PRO C C 222 175.570 176.146 -0.576 1
4 592 . 1 1 1 A 54 54 PRO CA C 222 58.950 62.377 -3.427 1
4 593 . 1 1 1 A 54 54 PRO CB C 222 28.140 32.727 -4.587 1
4 596 . 1 1 1 A 55 55 SER H H 223 7.520 8.256 -0.736 1
4 597 . 1 1 1 A 55 55 SER HA H 223 2.610 3.373 -0.763 1
4 600 . 1 1 1 A 55 55 SER C C 223 173.660 176.072 -2.412 1
4 601 . 1 1 1 A 55 55 SER CA C 223 57.510 59.959 -2.449 1
4 602 . 1 1 1 A 55 55 SER CB C 223 57.450 63.114 -5.664 1
4 603 . 1 1 1 A 55 55 SER N N 223 121.830 117.434 4.396 1
4 604 . 1 1 1 A 56 56 SER H H 224 8.110 7.693 0.417 1
4 605 . 1 1 1 A 56 56 SER HA H 224 3.990 4.063 -0.073 1
4 608 . 1 1 1 A 56 56 SER C C 224 172.670 175.737 -3.067 1
4 609 . 1 1 1 A 56 56 SER CA C 224 57.610 62.130 -4.520 1
4 610 . 1 1 1 A 56 56 SER CB C 224 60.270 63.030 -2.760 1
4 611 . 1 1 1 A 56 56 SER N N 224 115.290 116.511 -1.221 1
4 612 . 1 1 1 A 57 57 TYR H H 225 7.400 7.427 -0.027 1
4 613 . 1 1 1 A 57 57 TYR HA H 225 4.440 4.524 -0.084 1
4 616 . 1 1 1 A 57 57 TYR C C 225 171.350 175.197 -3.847 1
4 617 . 1 1 1 A 57 57 TYR CA C 225 55.160 60.093 -4.933 1
4 618 . 1 1 1 A 57 57 TYR CB C 225 35.600 38.667 -3.067 1
4 619 . 1 1 1 A 57 57 TYR N N 225 121.550 118.662 2.888 1
4 620 . 1 1 1 A 58 58 LEU H H 226 7.330 7.613 -0.283 1
4 621 . 1 1 1 A 58 58 LEU HA H 226 5.240 5.131 0.109 1
4 631 . 1 1 1 A 58 58 LEU C C 226 172.260 175.831 -3.571 1
4 632 . 1 1 1 A 58 58 LEU CA C 226 51.250 53.637 -2.387 1
4 633 . 1 1 1 A 58 58 LEU CB C 226 44.760 44.846 -0.086 1
4 637 . 1 1 1 A 58 58 LEU N N 226 120.810 120.486 0.324 1
4 638 . 1 1 1 A 59 59 VAL H H 227 8.500 8.924 -0.424 1
4 639 . 1 1 1 A 59 59 VAL HA H 227 4.590 4.896 -0.306 1
4 647 . 1 1 1 A 59 59 VAL C C 227 171.700 174.583 -2.883 1
4 648 . 1 1 1 A 59 59 VAL CA C 227 56.850 59.232 -2.382 1
4 649 . 1 1 1 A 59 59 VAL CB C 227 33.190 35.744 -2.554 1
4 652 . 1 1 1 A 59 59 VAL N N 227 115.550 117.383 -1.833 1
4 653 . 1 1 1 A 60 60 GLU H H 228 8.910 8.618 0.292 1
4 654 . 1 1 1 A 60 60 GLU HA H 228 4.300 4.446 -0.146 1
4 657 . 1 1 1 A 60 60 GLU C C 228 173.570 177.526 -3.956 1
4 658 . 1 1 1 A 60 60 GLU CA C 228 55.280 56.925 -1.645 1
4 659 . 1 1 1 A 60 60 GLU CB C 228 27.610 29.888 -2.278 1
4 661 . 1 1 1 A 60 60 GLU N N 228 124.940 124.518 0.422 1
4 662 . 1 1 1 A 61 61 LYS H H 229 8.310 9.416 -1.106 1
4 663 . 1 1 1 A 61 61 LYS HA H 229 4.070 3.813 0.257 1
4 670 . 1 1 1 A 61 61 LYS C C 229 173.400 176.319 -2.919 1
4 671 . 1 1 1 A 61 61 LYS CA C 229 54.220 59.478 -5.258 1
4 672 . 1 1 1 A 61 61 LYS CB C 229 31.390 32.473 -1.083 1
4 676 . 1 1 1 A 61 61 LYS N N 229 125.780 126.392 -0.612 1
4 677 . 1 1 1 A 62 62 SER H H 230 8.550 7.996 0.554 1
4 678 . 1 1 1 A 62 62 SER HA H 230 4.670 4.127 0.543 1
4 681 . 1 1 1 A 62 62 SER CA C 230 53.680 59.098 -5.418 1
4 682 . 1 1 1 A 62 62 SER CB C 230 60.670 61.604 -0.934 1
4 683 . 1 1 1 A 62 62 SER N N 230 121.050 114.265 6.785 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 2 "RMS(OBS, PRED)" C 98 3.321 1
2 1 1 2 "RMS(OBS, PRED)" CA 106 3.204 1
3 1 1 2 "RMS(OBS, PRED)" CB 100 2.874 1
4 1 1 2 "RMS(OBS, PRED)" H 100 0.688 1
5 1 1 2 "RMS(OBS, PRED)" HA 110 0.406 1
6 1 1 2 "RMS(OBS, PRED)" N 100 4.150 1
7 2 1 1 "RMS(OBS, PRED)" C 57 3.067 1
8 2 1 1 "RMS(OBS, PRED)" CA 61 3.497 1
9 2 1 1 "RMS(OBS, PRED)" CB 59 3.048 1
10 2 1 1 "RMS(OBS, PRED)" H 57 0.596 1
11 2 1 1 "RMS(OBS, PRED)" HA 63 0.416 1
12 2 1 1 "RMS(OBS, PRED)" N 57 3.460 1
13 3 1 2 "RMS(OBS, PRED)" C 0 0.000 1
14 3 1 2 "RMS(OBS, PRED)" CA 106 3.215 1
15 3 1 2 "RMS(OBS, PRED)" CB 100 2.883 1
16 3 1 2 "RMS(OBS, PRED)" H 100 0.696 1
17 3 1 2 "RMS(OBS, PRED)" HA 110 0.410 1
18 3 1 2 "RMS(OBS, PRED)" N 100 4.172 1
19 4 1 1 "RMS(OBS, PRED)" C 57 3.102 1
20 4 1 1 "RMS(OBS, PRED)" CA 61 3.484 1
21 4 1 1 "RMS(OBS, PRED)" CB 59 3.040 1
22 4 1 1 "RMS(OBS, PRED)" H 57 0.600 1
23 4 1 1 "RMS(OBS, PRED)" HA 63 0.418 1
24 4 1 1 "RMS(OBS, PRED)" N 57 3.451 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 13 . 2 2 B 4 4 ASN HA H 233 4.570 4.538 0.032 2
1 18 . 2 2 B 4 4 ASN C C 233 173.640 175.109 -1.469 2
1 19 . 2 2 B 4 4 ASN CA C 233 50.830 53.056 -2.226 2
1 20 . 2 2 B 4 4 ASN CB C 233 35.610 37.156 -1.546 2
1 22 . 2 2 B 5 5 LEU H H 234 8.320 7.825 0.495 2
1 23 . 2 2 B 5 5 LEU HA H 234 3.890 4.081 -0.191 2
1 33 . 2 2 B 5 5 LEU C C 234 174.320 177.844 -3.524 2
1 34 . 2 2 B 5 5 LEU CA C 234 53.910 54.671 -0.761 2
1 35 . 2 2 B 5 5 LEU CB C 234 37.740 41.650 -3.910 2
1 39 . 2 2 B 5 5 LEU N N 234 122.090 125.229 -3.139 2
1 40 . 2 2 B 6 6 GLU H H 235 8.090 7.848 0.242 2
1 41 . 2 2 B 6 6 GLU HA H 235 4.120 4.080 0.040 2
1 44 . 2 2 B 6 6 GLU C C 235 174.420 178.681 -4.261 2
1 45 . 2 2 B 6 6 GLU CA C 235 56.410 59.053 -2.643 2
1 46 . 2 2 B 6 6 GLU CB C 235 26.560 29.513 -2.953 2
1 48 . 2 2 B 6 6 GLU N N 235 113.760 119.543 -5.783 2
1 49 . 2 2 B 7 7 THR H H 236 7.360 7.294 0.066 2
1 50 . 2 2 B 7 7 THR HA H 236 3.880 3.904 -0.024 2
1 55 . 2 2 B 7 7 THR C C 236 171.230 174.637 -3.407 2
1 56 . 2 2 B 7 7 THR CA C 236 59.940 64.932 -4.992 2
1 57 . 2 2 B 7 7 THR CB C 236 66.570 67.892 -1.322 2
1 59 . 2 2 B 7 7 THR N N 236 108.790 110.323 -1.533 2
1 60 . 2 2 B 8 8 TYR H H 237 7.400 7.245 0.155 2
1 61 . 2 2 B 8 8 TYR HA H 237 3.960 4.436 -0.476 2
1 68 . 2 2 B 8 8 TYR CA C 237 55.580 57.699 -2.119 2
1 69 . 2 2 B 8 8 TYR CB C 237 35.130 38.888 -3.758 2
1 71 . 2 2 B 8 8 TYR N N 237 120.710 121.572 -0.862 2
1 72 . 2 2 B 9 9 GLU H H 238 9.040 8.414 0.626 2
1 73 . 2 2 B 9 9 GLU HA H 238 3.870 4.175 -0.305 2
1 76 . 2 2 B 9 9 GLU C C 238 172.110 178.865 -6.755 2
1 77 . 2 2 B 9 9 GLU CA C 238 55.760 58.852 -3.092 2
1 78 . 2 2 B 9 9 GLU CB C 238 26.890 30.227 -3.337 2
1 80 . 2 2 B 9 9 GLU N N 238 122.620 119.607 3.013 2
1 81 . 2 2 B 10 10 TRP H H 239 6.040 7.627 -1.587 2
1 82 . 2 2 B 10 10 TRP HA H 239 4.200 4.516 -0.316 2
1 91 . 2 2 B 10 10 TRP C C 239 173.790 176.340 -2.550 2
1 92 . 2 2 B 10 10 TRP CA C 239 50.570 60.007 -9.437 2
1 93 . 2 2 B 10 10 TRP CB C 239 27.270 28.409 -1.139 2
1 99 . 2 2 B 10 10 TRP N N 239 107.810 118.881 -11.071 2
1 101 . 2 2 B 11 11 TYR H H 240 7.320 7.337 -0.017 2
1 102 . 2 2 B 11 11 TYR HA H 240 5.410 4.629 0.781 2
1 109 . 2 2 B 11 11 TYR C C 240 171.740 174.725 -2.985 2
1 110 . 2 2 B 11 11 TYR CA C 240 54.010 59.364 -5.354 2
1 111 . 2 2 B 11 11 TYR CB C 240 35.210 38.666 -3.456 2
1 113 . 2 2 B 11 11 TYR N N 240 122.430 122.172 0.258 2
1 114 . 2 2 B 12 12 ASN H H 241 8.590 8.150 0.440 2
1 115 . 2 2 B 12 12 ASN HA H 241 4.600 5.020 -0.420 2
1 120 . 2 2 B 12 12 ASN C C 241 169.840 174.414 -4.574 2
1 121 . 2 2 B 12 12 ASN CA C 241 48.880 52.329 -3.449 2
1 122 . 2 2 B 12 12 ASN CB C 241 38.970 40.514 -1.544 2
1 123 . 2 2 B 12 12 ASN N N 241 128.140 126.220 1.920 2
1 125 . 2 2 B 13 13 LYS H H 242 7.410 8.583 -1.173 2
1 126 . 2 2 B 13 13 LYS HA H 242 3.710 3.966 -0.256 2
1 129 . 2 2 B 13 13 LYS C C 242 173.820 178.579 -4.759 2
1 130 . 2 2 B 13 13 LYS CA C 242 54.660 58.672 -4.012 2
1 131 . 2 2 B 13 13 LYS CB C 242 30.280 32.843 -2.563 2
1 135 . 2 2 B 13 13 LYS N N 242 121.870 123.697 -1.827 2
1 136 . 2 2 B 14 14 SER H H 243 8.290 7.911 0.379 2
1 137 . 2 2 B 14 14 SER HA H 243 4.170 4.297 -0.127 2
1 140 . 2 2 B 14 14 SER C C 243 171.390 174.421 -3.031 2
1 141 . 2 2 B 14 14 SER CA C 243 56.590 61.749 -5.159 2
1 142 . 2 2 B 14 14 SER CB C 243 59.830 63.008 -3.178 2
1 143 . 2 2 B 14 14 SER N N 243 115.140 114.594 0.546 2
1 144 . 2 2 B 15 15 ILE H H 244 7.450 7.273 0.177 2
1 145 . 2 2 B 15 15 ILE HA H 244 4.290 4.473 -0.183 2
1 155 . 2 2 B 15 15 ILE C C 244 171.830 174.803 -2.973 2
1 156 . 2 2 B 15 15 ILE CA C 244 57.870 60.285 -2.415 2
1 157 . 2 2 B 15 15 ILE CB C 244 37.170 39.707 -2.537 2
1 161 . 2 2 B 15 15 ILE N N 244 119.980 122.243 -2.263 2
1 162 . 2 2 B 16 16 SER H H 245 8.060 8.725 -0.665 2
1 163 . 2 2 B 16 16 SER HA H 245 4.400 4.691 -0.291 2
1 166 . 2 2 B 16 16 SER C C 245 171.580 175.785 -4.205 2
1 167 . 2 2 B 16 16 SER CA C 245 54.550 57.468 -2.918 2
1 168 . 2 2 B 16 16 SER CB C 245 62.900 64.383 -1.483 2
1 169 . 2 2 B 16 16 SER N N 245 121.640 123.543 -1.903 2
1 170 . 2 2 B 17 17 ARG H H 246 8.920 8.901 0.019 2
1 171 . 2 2 B 17 17 ARG HA H 246 3.430 3.979 -0.549 2
1 176 . 2 2 B 17 17 ARG C C 246 174.680 178.005 -3.325 2
1 177 . 2 2 B 17 17 ARG CA C 246 58.050 59.111 -1.061 2
1 178 . 2 2 B 17 17 ARG CB C 246 27.830 30.087 -2.257 2
1 181 . 2 2 B 17 17 ARG N N 246 122.060 124.504 -2.444 2
1 182 . 2 2 B 18 18 ASP H H 247 8.340 8.132 0.208 2
1 183 . 2 2 B 18 18 ASP HA H 247 4.170 4.405 -0.235 2
1 186 . 2 2 B 18 18 ASP C C 247 176.060 179.207 -3.147 2
1 187 . 2 2 B 18 18 ASP CA C 247 54.610 57.040 -2.430 2
1 188 . 2 2 B 18 18 ASP CB C 247 37.920 40.029 -2.109 2
1 189 . 2 2 B 18 18 ASP N N 247 115.490 119.954 -4.464 2
1 190 . 2 2 B 19 19 LYS H H 248 7.550 7.827 -0.277 2
1 191 . 2 2 B 19 19 LYS HA H 248 3.920 3.990 -0.070 2
1 194 . 2 2 B 19 19 LYS C C 248 175.700 179.421 -3.721 2
1 195 . 2 2 B 19 19 LYS CA C 248 55.920 59.056 -3.136 2
1 196 . 2 2 B 19 19 LYS CB C 248 29.450 32.308 -2.858 2
1 200 . 2 2 B 19 19 LYS N N 248 121.070 119.212 1.858 2
1 201 . 2 2 B 20 20 ALA H H 249 8.530 8.367 0.163 2
1 202 . 2 2 B 20 20 ALA HA H 249 3.730 3.995 -0.265 2
1 206 . 2 2 B 20 20 ALA C C 249 176.650 179.983 -3.333 2
1 207 . 2 2 B 20 20 ALA CA C 249 52.970 55.053 -2.083 2
1 208 . 2 2 B 20 20 ALA CB C 249 16.810 18.133 -1.323 2
1 209 . 2 2 B 20 20 ALA N N 249 121.970 121.940 0.030 2
1 210 . 2 2 B 21 21 GLU H H 250 8.250 7.785 0.465 2
1 211 . 2 2 B 21 21 GLU HA H 250 3.700 4.020 -0.320 2
1 216 . 2 2 B 21 21 GLU C C 250 174.890 179.115 -4.225 2
1 217 . 2 2 B 21 21 GLU CA C 250 58.320 59.537 -1.217 2
1 218 . 2 2 B 21 21 GLU CB C 250 26.210 29.597 -3.387 2
1 220 . 2 2 B 21 21 GLU N N 250 114.160 117.845 -3.685 2
1 221 . 2 2 B 22 22 LYS H H 251 7.450 7.496 -0.046 2
1 222 . 2 2 B 22 22 LYS HA H 251 3.820 4.014 -0.194 2
1 231 . 2 2 B 22 22 LYS C C 251 175.360 178.522 -3.162 2
1 232 . 2 2 B 22 22 LYS CA C 251 56.950 59.051 -2.101 2
1 233 . 2 2 B 22 22 LYS CB C 251 29.460 32.000 -2.540 2
1 237 . 2 2 B 22 22 LYS N N 251 118.150 118.986 -0.836 2
1 238 . 2 2 B 23 23 LEU H H 252 8.030 8.440 -0.410 2
1 239 . 2 2 B 23 23 LEU HA H 252 3.930 3.996 -0.066 2
1 249 . 2 2 B 23 23 LEU C C 252 177.950 178.263 -0.313 2
1 250 . 2 2 B 23 23 LEU CA C 252 55.130 58.127 -2.997 2
1 251 . 2 2 B 23 23 LEU CB C 252 39.770 41.309 -1.539 2
1 255 . 2 2 B 23 23 LEU N N 252 117.680 120.974 -3.294 2
1 256 . 2 2 B 24 24 LEU H H 253 8.050 7.765 0.285 2
1 257 . 2 2 B 24 24 LEU HA H 253 3.860 4.063 -0.203 2
1 267 . 2 2 B 24 24 LEU C C 253 176.660 178.929 -2.269 2
1 268 . 2 2 B 24 24 LEU CA C 253 55.480 57.795 -2.315 2
1 269 . 2 2 B 24 24 LEU CB C 253 40.010 40.908 -0.898 2
1 273 . 2 2 B 24 24 LEU N N 253 118.620 118.057 0.563 2
1 274 . 2 2 B 25 25 LEU H H 254 8.870 7.373 1.497 2
1 275 . 2 2 B 25 25 LEU HA H 254 3.870 3.216 0.654 2
1 285 . 2 2 B 25 25 LEU C C 254 177.120 178.020 -0.900 2
1 286 . 2 2 B 25 25 LEU CA C 254 55.680 57.858 -2.178 2
1 287 . 2 2 B 25 25 LEU CB C 254 39.040 41.242 -2.202 2
1 291 . 2 2 B 25 25 LEU N N 254 122.230 120.135 2.095 2
1 292 . 2 2 B 26 26 ASP H H 255 8.100 7.948 0.152 2
1 293 . 2 2 B 26 26 ASP HA H 255 4.170 4.331 -0.161 2
1 296 . 2 2 B 26 26 ASP C C 255 175.530 178.756 -3.226 2
1 297 . 2 2 B 26 26 ASP CA C 255 53.910 57.213 -3.303 2
1 298 . 2 2 B 26 26 ASP CB C 255 37.710 41.949 -4.239 2
1 299 . 2 2 B 26 26 ASP N N 255 117.450 119.198 -1.748 2
1 300 . 2 2 B 27 27 THR H H 256 7.240 7.594 -0.354 2
1 301 . 2 2 B 27 27 THR HA H 256 3.770 4.031 -0.261 2
1 306 . 2 2 B 27 27 THR C C 256 173.980 175.490 -1.510 2
1 307 . 2 2 B 27 27 THR CA C 256 63.070 65.962 -2.892 2
1 308 . 2 2 B 27 27 THR CB C 256 65.960 69.075 -3.115 2
1 310 . 2 2 B 27 27 THR N N 256 112.810 114.298 -1.488 2
1 311 . 2 2 B 28 28 GLY H H 257 7.010 8.423 -1.413 2
1 312 . 2 2 B 28 28 GLY HA2 H 257 3.390 4.004 -0.614 2
1 313 . 2 2 B 28 28 GLY HA3 H 257 2.860 4.188 -1.328 2
1 314 . 2 2 B 28 28 GLY C C 257 170.200 174.086 -3.886 2
1 315 . 2 2 B 28 28 GLY CA C 257 44.440 46.847 -2.407 2
1 316 . 2 2 B 28 28 GLY N N 257 105.330 109.638 -4.308 2
1 317 . 2 2 B 29 29 LYS H H 258 6.080 7.806 -1.726 2
1 318 . 2 2 B 29 29 LYS HA H 258 4.230 4.684 -0.454 2
1 323 . 2 2 B 29 29 LYS C C 258 171.230 174.784 -3.554 2
1 324 . 2 2 B 29 29 LYS CA C 258 51.550 53.970 -2.420 2
1 325 . 2 2 B 29 29 LYS CB C 258 32.520 35.923 -3.403 2
1 329 . 2 2 B 29 29 LYS N N 258 117.140 119.033 -1.893 2
1 330 . 2 2 B 30 30 GLU H H 259 8.670 8.566 0.104 2
1 331 . 2 2 B 30 30 GLU HA H 259 3.870 4.026 -0.156 2
1 332 . 2 2 B 30 30 GLU C C 259 174.320 177.085 -2.765 2
1 333 . 2 2 B 30 30 GLU CA C 259 55.300 57.217 -1.917 2
1 334 . 2 2 B 30 30 GLU CB C 259 27.420 29.487 -2.067 2
1 336 . 2 2 B 30 30 GLU N N 259 124.800 121.679 3.121 2
1 337 . 2 2 B 31 31 GLY H H 260 8.910 8.806 0.104 2
1 338 . 2 2 B 31 31 GLY HA2 H 260 4.330 3.970 0.360 2
1 339 . 2 2 B 31 31 GLY HA3 H 260 3.750 3.991 -0.241 2
1 340 . 2 2 B 31 31 GLY C C 260 173.320 174.522 -1.202 2
1 341 . 2 2 B 31 31 GLY CA C 260 44.370 45.033 -0.663 2
1 342 . 2 2 B 31 31 GLY N N 260 114.210 112.760 1.450 2
1 343 . 2 2 B 32 32 ALA H H 261 8.510 7.791 0.719 2
1 344 . 2 2 B 32 32 ALA HA H 261 5.600 4.601 0.999 2
1 348 . 2 2 B 32 32 ALA C C 261 174.140 177.440 -3.300 2
1 349 . 2 2 B 32 32 ALA CA C 261 49.600 52.852 -3.252 2
1 350 . 2 2 B 32 32 ALA CB C 261 16.040 19.317 -3.277 2
1 351 . 2 2 B 32 32 ALA N N 261 126.000 124.173 1.827 2
1 352 . 2 2 B 33 33 PHE H H 262 8.880 8.886 -0.006 2
1 353 . 2 2 B 33 33 PHE HA H 262 5.970 5.840 0.130 2
1 360 . 2 2 B 33 33 PHE C C 262 168.980 173.402 -4.422 2
1 361 . 2 2 B 33 33 PHE CA C 262 53.360 55.110 -1.750 2
1 362 . 2 2 B 33 33 PHE CB C 262 42.050 42.618 -0.568 2
1 363 . 2 2 B 33 33 PHE N N 262 120.080 120.465 -0.385 2
1 364 . 2 2 B 34 34 MET H H 263 8.670 9.380 -0.710 2
1 365 . 2 2 B 34 34 MET HA H 263 4.730 5.169 -0.439 2
1 373 . 2 2 B 34 34 MET C C 263 171.230 174.140 -2.910 2
1 374 . 2 2 B 34 34 MET CA C 263 52.100 54.187 -2.087 2
1 375 . 2 2 B 34 34 MET CB C 263 34.520 35.882 -1.362 2
1 378 . 2 2 B 34 34 MET N N 263 111.210 119.791 -8.581 2
1 379 . 2 2 B 35 35 VAL H H 264 9.280 9.220 0.060 2
1 380 . 2 2 B 35 35 VAL HA H 264 5.220 5.542 -0.322 2
1 388 . 2 2 B 35 35 VAL C C 264 170.560 174.553 -3.993 2
1 389 . 2 2 B 35 35 VAL CA C 264 58.920 60.276 -1.356 2
1 390 . 2 2 B 35 35 VAL CB C 264 31.070 35.842 -4.772 2
1 393 . 2 2 B 35 35 VAL N N 264 120.290 121.573 -1.283 2
1 394 . 2 2 B 36 36 ARG H H 265 9.470 9.387 0.083 2
1 395 . 2 2 B 36 36 ARG HA H 265 5.290 4.919 0.371 2
1 401 . 2 2 B 36 36 ARG C C 265 171.590 174.605 -3.015 2
1 402 . 2 2 B 36 36 ARG CA C 265 50.410 54.285 -3.875 2
1 403 . 2 2 B 36 36 ARG CB C 265 31.080 34.069 -2.989 2
1 406 . 2 2 B 36 36 ARG N N 265 124.120 125.189 -1.069 2
1 408 . 2 2 B 37 37 ASP H H 266 8.920 8.422 0.498 2
1 409 . 2 2 B 37 37 ASP HA H 266 4.800 4.703 0.097 2
1 412 . 2 2 B 37 37 ASP CA C 266 52.930 54.996 -2.066 2
1 413 . 2 2 B 37 37 ASP CB C 266 38.070 41.384 -3.314 2
1 414 . 2 2 B 37 37 ASP N N 266 122.280 127.666 -5.386 2
1 415 . 2 2 B 38 38 SER H H 267 8.060 8.990 -0.930 2
1 416 . 2 2 B 38 38 SER HA H 267 4.570 4.722 -0.152 2
1 417 . 2 2 B 38 38 SER C C 267 172.270 175.010 -2.740 2
1 418 . 2 2 B 38 38 SER CA C 267 53.700 56.501 -2.801 2
1 419 . 2 2 B 38 38 SER CB C 267 60.580 65.758 -5.178 2
1 420 . 2 2 B 38 38 SER N N 267 118.010 121.464 -3.454 2
1 421 . 2 2 B 39 39 ARG H H 268 8.890 8.672 0.218 2
1 422 . 2 2 B 39 39 ARG HA H 268 3.920 4.033 -0.113 2
1 423 . 2 2 B 39 39 ARG C C 268 175.360 177.669 -2.309 2
1 424 . 2 2 B 39 39 ARG CA C 268 56.090 59.849 -3.759 2
1 425 . 2 2 B 39 39 ARG CB C 268 27.500 30.193 -2.693 2
1 428 . 2 2 B 39 39 ARG N N 268 123.150 123.766 -0.616 2
1 429 . 2 2 B 40 40 THR H H 269 8.020 7.766 0.254 2
1 430 . 2 2 B 40 40 THR HA H 269 4.350 4.458 -0.108 2
1 435 . 2 2 B 40 40 THR CA C 269 57.740 61.401 -3.661 2
1 436 . 2 2 B 40 40 THR CB C 269 66.360 69.457 -3.097 2
1 438 . 2 2 B 40 40 THR N N 269 118.130 114.291 3.839 2
1 439 . 2 2 B 41 41 PRO HA H 270 4.290 4.638 -0.348 2
1 446 . 2 2 B 41 41 PRO C C 270 174.840 177.159 -2.319 2
1 447 . 2 2 B 41 41 PRO CA C 270 60.920 64.484 -3.564 2
1 448 . 2 2 B 41 41 PRO CB C 270 29.490 32.006 -2.516 2
1 451 . 2 2 B 42 42 GLY H H 271 8.460 8.268 0.192 2
1 452 . 2 2 B 42 42 GLY HA2 H 271 4.040 4.020 0.020 2
1 453 . 2 2 B 42 42 GLY HA3 H 271 3.510 4.129 -0.619 2
1 454 . 2 2 B 42 42 GLY C C 271 170.880 173.421 -2.541 2
1 455 . 2 2 B 42 42 GLY CA C 271 42.650 45.703 -3.053 2
1 456 . 2 2 B 42 42 GLY N N 271 111.140 106.624 4.516 2
1 457 . 2 2 B 43 43 THR H H 272 7.320 6.981 0.339 2
1 458 . 2 2 B 43 43 THR HA H 272 4.620 4.622 -0.002 2
1 463 . 2 2 B 43 43 THR C C 272 171.060 172.952 -1.892 2
1 464 . 2 2 B 43 43 THR CA C 272 57.680 61.385 -3.705 2
1 465 . 2 2 B 43 43 THR CB C 272 69.370 69.921 -0.551 2
1 467 . 2 2 B 43 43 THR N N 272 110.830 113.788 -2.958 2
1 468 . 2 2 B 44 44 TYR H H 273 9.560 7.995 1.565 2
1 469 . 2 2 B 44 44 TYR HA H 273 5.260 4.773 0.487 2
1 475 . 2 2 B 44 44 TYR C C 273 171.630 175.269 -3.639 2
1 476 . 2 2 B 44 44 TYR CA C 273 55.740 58.252 -2.512 2
1 477 . 2 2 B 44 44 TYR CB C 273 40.560 39.423 1.137 2
1 480 . 2 2 B 44 44 TYR N N 273 122.220 127.138 -4.918 2
1 481 . 2 2 B 45 45 THR H H 274 9.230 9.160 0.070 2
1 482 . 2 2 B 45 45 THR HA H 274 4.950 5.116 -0.166 2
1 487 . 2 2 B 45 45 THR C C 274 170.380 173.249 -2.869 2
1 488 . 2 2 B 45 45 THR CA C 274 59.190 61.432 -2.242 2
1 489 . 2 2 B 45 45 THR CB C 274 70.380 71.637 -1.257 2
1 491 . 2 2 B 45 45 THR N N 274 118.150 114.696 3.454 2
1 492 . 2 2 B 46 46 VAL H H 275 9.360 8.634 0.726 2
1 493 . 2 2 B 46 46 VAL HA H 275 4.880 4.700 0.180 2
1 495 . 2 2 B 46 46 VAL C C 275 171.920 175.350 -3.430 2
1 496 . 2 2 B 46 46 VAL CA C 275 58.370 62.203 -3.833 2
1 497 . 2 2 B 46 46 VAL CB C 275 30.940 31.163 -0.223 2
1 499 . 2 2 B 46 46 VAL N N 275 125.990 128.533 -2.543 2
1 500 . 2 2 B 47 47 SER H H 276 8.980 9.025 -0.045 2
1 501 . 2 2 B 47 47 SER HA H 276 5.500 4.695 0.805 2
1 504 . 2 2 B 47 47 SER C C 276 169.850 173.975 -4.125 2
1 505 . 2 2 B 47 47 SER CA C 276 55.840 58.263 -2.423 2
1 506 . 2 2 B 47 47 SER CB C 276 63.080 63.578 -0.498 2
1 507 . 2 2 B 47 47 SER N N 276 125.910 125.149 0.761 2
1 508 . 2 2 B 48 48 VAL H H 277 8.960 9.801 -0.841 2
1 509 . 2 2 B 48 48 VAL HA H 277 5.390 4.758 0.632 2
1 517 . 2 2 B 48 48 VAL C C 277 168.830 174.580 -5.750 2
1 518 . 2 2 B 48 48 VAL CA C 277 56.470 61.305 -4.835 2
1 519 . 2 2 B 48 48 VAL CB C 277 33.740 33.248 0.492 2
1 522 . 2 2 B 48 48 VAL N N 277 122.030 127.370 -5.340 2
1 523 . 2 2 B 49 49 PHE H H 278 8.910 9.532 -0.622 2
1 524 . 2 2 B 49 49 PHE HA H 278 4.930 5.297 -0.367 2
1 530 . 2 2 B 49 49 PHE C C 278 171.320 174.430 -3.110 2
1 531 . 2 2 B 49 49 PHE CA C 278 54.580 56.085 -1.505 2
1 532 . 2 2 B 49 49 PHE CB C 278 39.440 42.314 -2.874 2
1 533 . 2 2 B 49 49 PHE N N 278 128.410 128.389 0.021 2
1 534 . 2 2 B 50 50 THR H H 279 8.400 8.595 -0.195 2
1 535 . 2 2 B 50 50 THR HA H 279 4.740 4.309 0.431 2
1 540 . 2 2 B 50 50 THR C C 279 173.230 172.970 0.260 2
1 541 . 2 2 B 50 50 THR CA C 279 57.170 59.877 -2.707 2
1 542 . 2 2 B 50 50 THR CB C 279 68.460 72.040 -3.580 2
1 544 . 2 2 B 50 50 THR N N 279 121.700 120.610 1.090 2
1 545 . 2 2 B 51 51 LYS H H 280 10.380 8.253 2.127 2
1 546 . 2 2 B 51 51 LYS HA H 280 4.460 4.503 -0.043 2
1 549 . 2 2 B 51 51 LYS C C 280 171.580 176.160 -4.580 2
1 550 . 2 2 B 51 51 LYS CA C 280 53.640 56.882 -3.242 2
1 551 . 2 2 B 51 51 LYS CB C 280 29.780 32.019 -2.239 2
1 555 . 2 2 B 51 51 LYS N N 280 130.550 126.064 4.486 2
1 556 . 2 2 B 52 52 ALA H H 281 9.020 8.580 0.440 2
1 557 . 2 2 B 52 52 ALA HA H 281 3.750 4.630 -0.880 2
1 561 . 2 2 B 52 52 ALA C C 281 171.580 176.105 -4.525 2
1 562 . 2 2 B 52 52 ALA CA C 281 50.670 50.822 -0.152 2
1 563 . 2 2 B 52 52 ALA CB C 281 17.140 21.973 -4.833 2
1 564 . 2 2 B 52 52 ALA N N 281 122.130 126.572 -4.442 2
1 565 . 2 2 B 53 53 ILE H H 282 8.940 8.693 0.247 2
1 566 . 2 2 B 53 53 ILE HA H 282 3.990 4.031 -0.041 2
1 576 . 2 2 B 53 53 ILE C C 282 173.770 175.864 -2.094 2
1 577 . 2 2 B 53 53 ILE CA C 282 57.780 62.323 -4.543 2
1 578 . 2 2 B 53 53 ILE CB C 282 33.250 36.984 -3.734 2
1 582 . 2 2 B 53 53 ILE N N 282 121.660 115.564 6.096 2
1 583 . 2 2 B 54 54 ILE H H 283 8.040 8.499 -0.459 2
1 584 . 2 2 B 54 54 ILE HA H 283 3.960 4.062 -0.102 2
1 594 . 2 2 B 54 54 ILE C C 283 173.830 177.536 -3.706 2
1 595 . 2 2 B 54 54 ILE CA C 283 61.650 63.153 -1.503 2
1 596 . 2 2 B 54 54 ILE CB C 283 35.570 38.471 -2.901 2
1 600 . 2 2 B 54 54 ILE N N 283 126.980 127.887 -0.907 2
1 601 . 2 2 B 55 55 SER H H 284 7.620 7.876 -0.256 2
1 602 . 2 2 B 55 55 SER HA H 284 4.170 4.284 -0.114 2
1 605 . 2 2 B 55 55 SER C C 284 171.240 174.593 -3.353 2
1 606 . 2 2 B 55 55 SER CA C 284 56.290 61.166 -4.876 2
1 607 . 2 2 B 55 55 SER CB C 284 60.770 62.963 -2.193 2
1 608 . 2 2 B 55 55 SER N N 284 111.940 116.513 -4.573 2
1 609 . 2 2 B 56 56 GLU H H 285 7.330 7.831 -0.501 2
1 610 . 2 2 B 56 56 GLU HA H 285 4.100 4.768 -0.668 2
1 613 . 2 2 B 56 56 GLU C C 285 169.310 174.875 -5.565 2
1 614 . 2 2 B 56 56 GLU CA C 285 53.050 55.380 -2.330 2
1 615 . 2 2 B 56 56 GLU CB C 285 26.950 32.908 -5.958 2
1 617 . 2 2 B 56 56 GLU N N 285 124.640 119.108 5.532 2
1 618 . 2 2 B 57 57 ASN H H 286 7.980 9.032 -1.052 2
1 619 . 2 2 B 57 57 ASN HA H 286 4.860 5.427 -0.567 2
1 624 . 2 2 B 57 57 ASN CA C 286 46.360 50.430 -4.070 2
1 625 . 2 2 B 57 57 ASN CB C 286 37.400 41.636 -4.236 2
1 626 . 2 2 B 57 57 ASN N N 286 121.210 120.230 0.980 2
1 628 . 2 2 B 58 58 PRO HA H 287 4.800 4.836 -0.036 2
1 633 . 2 2 B 58 58 PRO C C 287 172.280 175.223 -2.943 2
1 634 . 2 2 B 58 58 PRO CA C 287 61.270 62.849 -1.579 2
1 635 . 2 2 B 58 58 PRO CB C 287 33.950 32.766 1.184 2
1 638 . 2 2 B 59 59 CYS H H 288 8.180 8.641 -0.461 2
1 639 . 2 2 B 59 59 CYS HA H 288 4.450 5.122 -0.672 2
1 642 . 2 2 B 59 59 CYS C C 288 168.670 173.223 -4.553 2
1 643 . 2 2 B 59 59 CYS CA C 288 54.210 57.586 -3.376 2
1 644 . 2 2 B 59 59 CYS CB C 288 27.480 31.501 -4.021 2
1 645 . 2 2 B 59 59 CYS N N 288 113.090 119.530 -6.440 2
1 646 . 2 2 B 60 60 ILE H H 289 8.160 8.653 -0.493 2
1 647 . 2 2 B 60 60 ILE HA H 289 4.770 4.666 0.104 2
1 657 . 2 2 B 60 60 ILE C C 289 173.140 174.342 -1.202 2
1 658 . 2 2 B 60 60 ILE CA C 289 55.020 59.856 -4.836 2
1 659 . 2 2 B 60 60 ILE CB C 289 34.090 39.050 -4.960 2
1 663 . 2 2 B 60 60 ILE N N 289 121.390 125.036 -3.646 2
1 664 . 2 2 B 61 61 LYS H H 290 8.600 9.466 -0.866 2
1 665 . 2 2 B 61 61 LYS HA H 290 4.210 4.573 -0.363 2
1 668 . 2 2 B 61 61 LYS C C 290 171.240 175.162 -3.922 2
1 669 . 2 2 B 61 61 LYS CA C 290 49.820 54.342 -4.522 2
1 670 . 2 2 B 61 61 LYS CB C 290 32.110 33.829 -1.719 2
1 674 . 2 2 B 61 61 LYS N N 290 125.550 127.453 -1.903 2
1 675 . 2 2 B 62 62 HIS H H 291 8.130 8.747 -0.617 2
1 676 . 2 2 B 62 62 HIS HA H 291 5.180 5.068 0.112 2
1 681 . 2 2 B 62 62 HIS C C 291 172.580 173.428 -0.848 2
1 682 . 2 2 B 62 62 HIS CA C 291 51.700 53.767 -2.067 2
1 683 . 2 2 B 62 62 HIS CB C 291 29.920 31.333 -1.413 2
1 686 . 2 2 B 62 62 HIS N N 291 120.780 121.641 -0.861 2
1 687 . 2 2 B 63 63 TYR H H 292 9.730 8.768 0.962 2
1 688 . 2 2 B 63 63 TYR HA H 292 4.770 4.895 -0.125 2
1 693 . 2 2 B 63 63 TYR C C 292 172.440 175.396 -2.956 2
1 694 . 2 2 B 63 63 TYR CA C 292 53.760 56.839 -3.079 2
1 695 . 2 2 B 63 63 TYR CB C 292 37.600 37.738 -0.138 2
1 697 . 2 2 B 63 63 TYR N N 292 123.200 124.330 -1.130 2
1 698 . 2 2 B 64 64 HIS H H 293 9.020 9.076 -0.056 2
1 699 . 2 2 B 64 64 HIS HA H 293 4.740 4.581 0.159 2
1 702 . 2 2 B 64 64 HIS C C 293 172.600 175.423 -2.823 2
1 703 . 2 2 B 64 64 HIS CA C 293 54.550 57.895 -3.345 2
1 704 . 2 2 B 64 64 HIS CB C 293 27.890 30.471 -2.581 2
1 707 . 2 2 B 64 64 HIS N N 293 125.350 126.192 -0.842 2
1 708 . 2 2 B 65 65 ILE H H 294 8.730 8.784 -0.054 2
1 709 . 2 2 B 65 65 ILE HA H 294 3.960 3.948 0.012 2
1 719 . 2 2 B 65 65 ILE C C 294 172.770 175.956 -3.186 2
1 720 . 2 2 B 65 65 ILE CA C 294 60.480 62.228 -1.748 2
1 721 . 2 2 B 65 65 ILE CB C 294 33.270 37.696 -4.426 2
1 725 . 2 2 B 65 65 ILE N N 294 125.050 125.868 -0.818 2
1 726 . 2 2 B 66 66 LYS H H 295 8.650 8.064 0.586 2
1 727 . 2 2 B 66 66 LYS HA H 295 4.110 4.147 -0.037 2
1 732 . 2 2 B 66 66 LYS C C 295 171.730 175.580 -3.850 2
1 733 . 2 2 B 66 66 LYS CA C 295 52.640 56.420 -3.780 2
1 734 . 2 2 B 66 66 LYS CB C 295 29.660 32.173 -2.513 2
1 738 . 2 2 B 66 66 LYS N N 295 131.840 127.459 4.381 2
1 739 . 2 2 B 67 67 GLU H H 296 7.900 8.604 -0.704 2
1 740 . 2 2 B 67 67 GLU HA H 296 5.290 5.047 0.243 2
1 743 . 2 2 B 67 67 GLU C C 296 176.050 175.197 0.853 2
1 744 . 2 2 B 67 67 GLU CA C 296 50.330 55.182 -4.852 2
1 745 . 2 2 B 67 67 GLU CB C 296 30.370 30.829 -0.459 2
1 747 . 2 2 B 67 67 GLU N N 296 115.760 124.619 -8.859 2
1 748 . 2 2 B 68 68 THR H H 297 8.550 9.254 -0.704 2
1 749 . 2 2 B 68 68 THR HA H 297 4.510 4.739 -0.229 2
1 754 . 2 2 B 68 68 THR C C 297 170.700 173.058 -2.358 2
1 755 . 2 2 B 68 68 THR CA C 297 57.680 60.425 -2.745 2
1 756 . 2 2 B 68 68 THR CB C 297 67.660 69.401 -1.741 2
1 758 . 2 2 B 68 68 THR N N 297 113.320 122.384 -9.064 2
1 759 . 2 2 B 69 69 ASN H H 298 8.340 8.899 -0.559 2
1 760 . 2 2 B 69 69 ASN HA H 298 4.820 4.665 0.155 2
1 765 . 2 2 B 69 69 ASN C C 298 173.110 174.036 -0.926 2
1 766 . 2 2 B 69 69 ASN CA C 298 49.830 53.285 -3.455 2
1 767 . 2 2 B 69 69 ASN CB C 298 35.370 38.369 -2.999 2
1 768 . 2 2 B 69 69 ASN N N 298 114.860 128.084 -13.224 2
1 770 . 2 2 B 70 70 ASP H H 299 7.090 8.381 -1.291 2
1 771 . 2 2 B 70 70 ASP HA H 299 4.300 5.188 -0.888 2
1 774 . 2 2 B 70 70 ASP C C 299 170.730 174.472 -3.742 2
1 775 . 2 2 B 70 70 ASP CA C 299 51.970 52.529 -0.559 2
1 776 . 2 2 B 70 70 ASP CB C 299 41.330 43.682 -2.352 2
1 777 . 2 2 B 70 70 ASP N N 299 117.020 126.148 -9.128 2
1 778 . 2 2 B 71 71 SER H H 300 8.140 8.521 -0.381 2
1 779 . 2 2 B 71 71 SER HA H 300 4.540 4.826 -0.286 2
1 782 . 2 2 B 71 71 SER CA C 300 51.670 55.961 -4.291 2
1 783 . 2 2 B 71 71 SER CB C 300 61.600 63.395 -1.795 2
1 784 . 2 2 B 71 71 SER N N 300 112.940 115.562 -2.622 2
1 785 . 2 2 B 72 72 PRO HA H 301 4.650 4.437 0.213 2
1 792 . 2 2 B 72 72 PRO C C 301 172.750 176.919 -4.169 2
1 793 . 2 2 B 72 72 PRO CA C 301 60.310 65.086 -4.776 2
1 794 . 2 2 B 72 72 PRO CB C 301 32.140 31.620 0.520 2
1 797 . 2 2 B 73 73 LYS H H 302 8.080 8.204 -0.124 2
1 798 . 2 2 B 73 73 LYS HA H 302 3.520 4.015 -0.495 2
1 801 . 2 2 B 73 73 LYS C C 302 172.790 175.944 -3.154 2
1 802 . 2 2 B 73 73 LYS CA C 302 55.510 57.164 -1.654 2
1 803 . 2 2 B 73 73 LYS CB C 302 30.920 31.272 -0.352 2
1 807 . 2 2 B 73 73 LYS N N 302 119.220 117.089 2.131 2
1 808 . 2 2 B 74 74 ARG H H 303 7.270 8.429 -1.159 2
1 809 . 2 2 B 74 74 ARG HA H 303 4.460 4.736 -0.276 2
1 815 . 2 2 B 74 74 ARG C C 303 171.920 175.351 -3.431 2
1 816 . 2 2 B 74 74 ARG CA C 303 51.910 56.379 -4.469 2
1 817 . 2 2 B 74 74 ARG CB C 303 30.530 32.140 -1.610 2
1 820 . 2 2 B 74 74 ARG N N 303 119.540 118.722 0.818 2
1 822 . 2 2 B 75 75 TYR H H 304 8.790 7.580 1.210 2
1 823 . 2 2 B 75 75 TYR HA H 304 5.710 5.158 0.552 2
1 830 . 2 2 B 75 75 TYR C C 304 172.790 175.321 -2.531 2
1 831 . 2 2 B 75 75 TYR CA C 304 54.920 56.653 -1.733 2
1 832 . 2 2 B 75 75 TYR CB C 304 40.830 40.259 0.571 2
1 833 . 2 2 B 75 75 TYR N N 304 115.290 119.528 -4.238 2
1 834 . 2 2 B 76 76 TYR H H 305 8.820 8.649 0.171 2
1 835 . 2 2 B 76 76 TYR HA H 305 5.190 5.486 -0.296 2
1 842 . 2 2 B 76 76 TYR C C 305 170.420 173.986 -3.566 2
1 843 . 2 2 B 76 76 TYR CA C 305 55.340 56.911 -1.571 2
1 844 . 2 2 B 76 76 TYR CB C 305 38.670 40.244 -1.574 2
1 847 . 2 2 B 76 76 TYR N N 305 116.190 119.599 -3.409 2
1 848 . 2 2 B 77 77 VAL H H 306 9.900 9.109 0.791 2
1 849 . 2 2 B 77 77 VAL HA H 306 4.490 4.504 -0.014 2
1 857 . 2 2 B 77 77 VAL C C 306 173.060 175.232 -2.172 2
1 858 . 2 2 B 77 77 VAL CA C 306 59.740 60.906 -1.166 2
1 859 . 2 2 B 77 77 VAL CB C 306 30.880 31.937 -1.057 2
1 862 . 2 2 B 77 77 VAL N N 306 114.390 116.871 -2.481 2
1 863 . 2 2 B 78 78 ALA H H 307 9.310 8.761 0.549 2
1 864 . 2 2 B 78 78 ALA HA H 307 4.690 4.512 0.178 2
1 868 . 2 2 B 78 78 ALA C C 307 174.130 178.241 -4.111 2
1 869 . 2 2 B 78 78 ALA CA C 307 48.680 52.324 -3.644 2
1 870 . 2 2 B 78 78 ALA CB C 307 19.040 21.567 -2.527 2
1 871 . 2 2 B 78 78 ALA N N 307 128.320 126.877 1.443 2
1 872 . 2 2 B 79 79 GLU H H 308 8.740 8.855 -0.115 2
1 873 . 2 2 B 79 79 GLU HA H 308 3.050 3.691 -0.641 2
1 876 . 2 2 B 79 79 GLU C C 308 173.390 175.732 -2.342 2
1 877 . 2 2 B 79 79 GLU CA C 308 56.920 57.808 -0.888 2
1 878 . 2 2 B 79 79 GLU CB C 308 26.880 27.492 -0.612 2
1 880 . 2 2 B 79 79 GLU N N 308 121.570 114.636 6.934 2
1 881 . 2 2 B 80 80 LYS H H 309 7.760 8.147 -0.387 2
1 882 . 2 2 B 80 80 LYS HA H 309 3.540 4.008 -0.468 2
1 887 . 2 2 B 80 80 LYS C C 309 172.950 175.439 -2.489 2
1 888 . 2 2 B 80 80 LYS CA C 309 55.010 57.897 -2.887 2
1 889 . 2 2 B 80 80 LYS CB C 309 29.500 32.282 -2.782 2
1 893 . 2 2 B 80 80 LYS N N 309 113.690 118.741 -5.051 2
1 894 . 2 2 B 81 81 TYR H H 310 7.780 7.779 0.001 2
1 895 . 2 2 B 81 81 TYR HA H 310 4.260 5.051 -0.791 2
1 902 . 2 2 B 81 81 TYR C C 310 168.930 174.759 -5.829 2
1 903 . 2 2 B 81 81 TYR CA C 310 54.230 56.431 -2.201 2
1 904 . 2 2 B 81 81 TYR CB C 310 36.270 40.871 -4.601 2
1 907 . 2 2 B 81 81 TYR N N 310 120.570 115.355 5.215 2
1 908 . 2 2 B 82 82 VAL H H 311 7.180 8.376 -1.196 2
1 909 . 2 2 B 82 82 VAL HA H 311 4.600 4.764 -0.164 2
1 917 . 2 2 B 82 82 VAL C C 311 172.950 174.515 -1.565 2
1 918 . 2 2 B 82 82 VAL CA C 311 57.520 60.861 -3.341 2
1 919 . 2 2 B 82 82 VAL CB C 311 30.970 34.910 -3.940 2
1 922 . 2 2 B 82 82 VAL N N 311 120.960 120.281 0.679 2
1 923 . 2 2 B 83 83 PHE H H 312 9.280 9.781 -0.501 2
1 924 . 2 2 B 83 83 PHE HA H 312 4.810 5.109 -0.299 2
1 932 . 2 2 B 83 83 PHE C C 312 173.980 175.565 -1.585 2
1 933 . 2 2 B 83 83 PHE CA C 312 54.990 56.047 -1.057 2
1 934 . 2 2 B 83 83 PHE CB C 312 43.140 42.722 0.418 2
1 935 . 2 2 B 83 83 PHE N N 312 121.080 125.031 -3.951 2
1 936 . 2 2 B 84 84 ASP H H 313 9.160 9.281 -0.121 2
1 937 . 2 2 B 84 84 ASP HA H 313 4.570 4.733 -0.163 2
1 939 . 2 2 B 84 84 ASP C C 313 172.950 175.930 -2.980 2
1 940 . 2 2 B 84 84 ASP CA C 313 53.940 54.496 -0.556 2
1 941 . 2 2 B 84 84 ASP CB C 313 38.640 41.949 -3.309 2
1 942 . 2 2 B 84 84 ASP N N 313 117.870 123.153 -5.283 2
1 943 . 2 2 B 85 85 SER H H 314 7.590 8.004 -0.414 2
1 944 . 2 2 B 85 85 SER HA H 314 4.710 5.039 -0.329 2
1 947 . 2 2 B 85 85 SER C C 314 170.010 174.277 -4.267 2
1 948 . 2 2 B 85 85 SER CA C 314 53.690 56.760 -3.070 2
1 949 . 2 2 B 85 85 SER CB C 314 63.900 65.671 -1.771 2
1 950 . 2 2 B 85 85 SER N N 314 110.490 113.543 -3.053 2
1 951 . 2 2 B 86 86 ILE H H 315 8.920 9.141 -0.221 2
1 952 . 2 2 B 86 86 ILE HA H 315 3.480 3.886 -0.406 2
1 962 . 2 2 B 86 86 ILE CA C 315 63.970 66.084 -2.114 2
1 963 . 2 2 B 86 86 ILE CB C 315 32.780 35.317 -2.537 2
1 967 . 2 2 B 86 86 ILE N N 315 120.570 129.051 -8.481 2
1 968 . 2 2 B 87 87 PRO HA H 316 3.850 3.968 -0.118 2
1 975 . 2 2 B 87 87 PRO C C 316 176.030 179.417 -3.387 2
1 976 . 2 2 B 87 87 PRO CA C 316 64.140 66.041 -1.901 2
1 977 . 2 2 B 87 87 PRO CB C 316 28.290 30.842 -2.552 2
1 980 . 2 2 B 88 88 LEU H H 317 7.200 7.666 -0.466 2
1 981 . 2 2 B 88 88 LEU HA H 317 3.860 3.872 -0.012 2
1 991 . 2 2 B 88 88 LEU C C 317 175.370 178.813 -3.443 2
1 992 . 2 2 B 88 88 LEU CA C 317 55.370 57.564 -2.194 2
1 993 . 2 2 B 88 88 LEU CB C 317 39.260 41.710 -2.450 2
1 997 . 2 2 B 88 88 LEU N N 317 116.410 116.534 -0.124 2
1 998 . 2 2 B 89 89 LEU H H 318 7.110 7.932 -0.822 2
1 999 . 2 2 B 89 89 LEU HA H 318 2.530 3.371 -0.841 2
1 1009 . 2 2 B 89 89 LEU C C 318 175.190 178.612 -3.422 2
1 1010 . 2 2 B 89 89 LEU CA C 318 55.390 57.719 -2.329 2
1 1011 . 2 2 B 89 89 LEU CB C 318 40.270 41.515 -1.245 2
1 1015 . 2 2 B 89 89 LEU N N 318 124.140 119.507 4.633 2
1 1016 . 2 2 B 90 90 ILE H H 319 7.880 7.543 0.337 2
1 1017 . 2 2 B 90 90 ILE HA H 319 2.950 3.148 -0.198 2
1 1027 . 2 2 B 90 90 ILE C C 319 174.550 178.071 -3.521 2
1 1028 . 2 2 B 90 90 ILE CA C 319 58.340 64.116 -5.776 2
1 1029 . 2 2 B 90 90 ILE CB C 319 31.920 36.449 -4.529 2
1 1033 . 2 2 B 90 90 ILE N N 319 119.220 119.269 -0.049 2
1 1034 . 2 2 B 91 91 GLN H H 320 7.730 7.571 0.159 2
1 1035 . 2 2 B 91 91 GLN HA H 320 3.960 3.944 0.016 2
1 1042 . 2 2 B 91 91 GLN C C 320 175.910 177.873 -1.963 2
1 1043 . 2 2 B 91 91 GLN CA C 320 56.230 58.765 -2.535 2
1 1044 . 2 2 B 91 91 GLN CB C 320 26.130 28.488 -2.358 2
1 1046 . 2 2 B 91 91 GLN N N 320 116.670 118.578 -1.908 2
1 1048 . 2 2 B 92 92 TYR H H 321 7.520 8.101 -0.581 2
1 1049 . 2 2 B 92 92 TYR HA H 321 3.830 4.182 -0.352 2
1 1056 . 2 2 B 92 92 TYR C C 321 176.260 177.342 -1.082 2
1 1057 . 2 2 B 92 92 TYR CA C 321 59.830 61.364 -1.534 2
1 1058 . 2 2 B 92 92 TYR CB C 321 36.420 38.306 -1.886 2
1 1059 . 2 2 B 92 92 TYR N N 321 118.630 121.712 -3.082 2
1 1060 . 2 2 B 93 93 HIS H H 322 7.620 7.649 -0.029 2
1 1061 . 2 2 B 93 93 HIS HA H 322 4.500 3.622 0.878 2
1 1067 . 2 2 B 93 93 HIS C C 322 172.600 177.184 -4.584 2
1 1068 . 2 2 B 93 93 HIS CA C 322 55.380 58.567 -3.187 2
1 1069 . 2 2 B 93 93 HIS CB C 322 25.270 28.640 -3.370 2
1 1072 . 2 2 B 93 93 HIS N N 322 116.830 117.193 -0.363 2
1 1073 . 2 2 B 94 94 GLN H H 323 7.600 7.701 -0.101 2
1 1074 . 2 2 B 94 94 GLN HA H 323 4.370 3.979 0.391 2
1 1080 . 2 2 B 94 94 GLN C C 323 174.350 175.064 -0.714 2
1 1081 . 2 2 B 94 94 GLN CA C 323 54.900 58.310 -3.410 2
1 1082 . 2 2 B 94 94 GLN CB C 323 27.470 28.627 -1.157 2
1 1084 . 2 2 B 94 94 GLN N N 323 119.350 119.097 0.253 2
1 1086 . 2 2 B 95 95 TYR H H 324 6.760 7.481 -0.721 2
1 1087 . 2 2 B 95 95 TYR HA H 324 4.280 4.791 -0.511 2
1 1092 . 2 2 B 95 95 TYR C C 324 172.070 175.386 -3.316 2
1 1093 . 2 2 B 95 95 TYR CA C 324 55.700 57.873 -2.173 2
1 1094 . 2 2 B 95 95 TYR CB C 324 37.540 39.786 -2.246 2
1 1097 . 2 2 B 95 95 TYR N N 324 115.090 117.250 -2.160 2
1 1098 . 2 2 B 96 96 ASN H H 325 7.540 8.967 -1.427 2
1 1099 . 2 2 B 96 96 ASN HA H 325 4.470 4.467 0.003 2
1 1104 . 2 2 B 96 96 ASN C C 325 170.690 174.887 -4.197 2
1 1105 . 2 2 B 96 96 ASN CA C 325 49.330 55.163 -5.833 2
1 1106 . 2 2 B 96 96 ASN CB C 325 38.700 37.342 1.358 2
1 1107 . 2 2 B 96 96 ASN N N 325 117.890 120.738 -2.848 2
1 1109 . 2 2 B 97 97 GLY H H 326 8.660 8.193 0.467 2
1 1110 . 2 2 B 97 97 GLY C C 326 173.560 172.093 1.467 2
1 1111 . 2 2 B 97 97 GLY CA C 326 43.820 45.134 -1.314 2
1 1112 . 2 2 B 97 97 GLY N N 326 109.780 108.612 1.168 2
1 1113 . 2 2 B 98 98 GLY H H 327 8.180 8.807 -0.627 2
1 1114 . 2 2 B 98 98 GLY HA2 H 327 4.320 3.765 0.555 2
1 1115 . 2 2 B 98 98 GLY HA3 H 327 3.690 4.423 -0.733 2
1 1116 . 2 2 B 98 98 GLY C C 327 170.780 174.560 -3.780 2
1 1117 . 2 2 B 98 98 GLY CA C 327 43.900 44.247 -0.347 2
1 1118 . 2 2 B 98 98 GLY N N 327 107.410 111.323 -3.913 2
1 1119 . 2 2 B 99 99 GLY H H 328 8.230 9.026 -0.796 2
1 1120 . 2 2 B 99 99 GLY HA2 H 328 4.210 3.945 0.265 2
1 1121 . 2 2 B 99 99 GLY HA3 H 328 3.640 3.989 -0.349 2
1 1122 . 2 2 B 99 99 GLY C C 328 172.370 173.368 -0.998 2
1 1123 . 2 2 B 99 99 GLY CA C 328 42.400 46.642 -4.242 2
1 1124 . 2 2 B 99 99 GLY N N 328 106.610 108.149 -1.539 2
1 1125 . 2 2 B 100 100 LEU H H 329 7.630 7.121 0.509 2
1 1126 . 2 2 B 100 100 LEU HA H 329 4.140 4.554 -0.414 2
1 1136 . 2 2 B 100 100 LEU C C 329 175.380 176.911 -1.531 2
1 1137 . 2 2 B 100 100 LEU CA C 329 51.300 52.990 -1.690 2
1 1138 . 2 2 B 100 100 LEU CB C 329 40.310 45.061 -4.751 2
1 1142 . 2 2 B 100 100 LEU N N 329 119.240 120.151 -0.911 2
1 1143 . 2 2 B 101 101 VAL H H 330 7.410 8.542 -1.132 2
1 1144 . 2 2 B 101 101 VAL HA H 330 3.790 3.932 -0.142 2
1 1149 . 2 2 B 101 101 VAL CA C 330 60.940 64.439 -3.499 2
1 1150 . 2 2 B 101 101 VAL CB C 330 29.280 31.691 -2.411 2
1 1152 . 2 2 B 101 101 VAL N N 330 114.840 125.339 -10.499 2
1 1153 . 2 2 B 102 102 THR H H 331 6.940 7.455 -0.515 2
1 1154 . 2 2 B 102 102 THR HA H 331 4.210 4.551 -0.341 2
1 1159 . 2 2 B 102 102 THR C C 331 168.210 174.032 -5.822 2
1 1160 . 2 2 B 102 102 THR CA C 331 56.880 60.965 -4.085 2
1 1161 . 2 2 B 102 102 THR CB C 331 67.300 70.438 -3.138 2
1 1163 . 2 2 B 102 102 THR N N 331 112.880 107.996 4.884 2
1 1164 . 2 2 B 103 103 ARG H H 332 7.400 7.897 -0.497 2
1 1165 . 2 2 B 103 103 ARG HA H 332 3.970 3.997 -0.027 2
1 1168 . 2 2 B 103 103 ARG C C 332 172.790 175.346 -2.556 2
1 1169 . 2 2 B 103 103 ARG CA C 332 53.460 56.390 -2.930 2
1 1170 . 2 2 B 103 103 ARG CB C 332 28.780 29.066 -0.286 2
1 1173 . 2 2 B 103 103 ARG N N 332 120.120 118.243 1.877 2
1 1174 . 2 2 B 104 104 LEU H H 333 7.340 7.891 -0.551 2
1 1175 . 2 2 B 104 104 LEU HA H 333 3.610 4.025 -0.415 2
1 1185 . 2 2 B 104 104 LEU C C 333 172.260 176.634 -4.374 2
1 1186 . 2 2 B 104 104 LEU CA C 333 50.830 55.750 -4.920 2
1 1187 . 2 2 B 104 104 LEU CB C 333 34.160 41.517 -7.357 2
1 1191 . 2 2 B 104 104 LEU N N 333 119.700 125.040 -5.340 2
1 1192 . 2 2 B 105 105 ARG H H 334 8.190 8.832 -0.642 2
1 1193 . 2 2 B 105 105 ARG HA H 334 4.110 4.429 -0.319 2
1 1194 . 2 2 B 105 105 ARG C C 334 174.150 175.087 -0.937 2
1 1195 . 2 2 B 105 105 ARG CA C 334 55.210 56.678 -1.468 2
1 1196 . 2 2 B 105 105 ARG CB C 334 31.200 33.475 -2.275 2
1 1199 . 2 2 B 105 105 ARG N N 334 122.270 125.630 -3.360 2
1 1200 . 2 2 B 106 106 TYR H H 335 7.600 7.867 -0.267 2
1 1201 . 2 2 B 106 106 TYR HA H 335 5.160 4.888 0.272 2
1 1206 . 2 2 B 106 106 TYR CA C 335 51.850 56.262 -4.412 2
1 1207 . 2 2 B 106 106 TYR CB C 335 37.710 39.930 -2.220 2
1 1208 . 2 2 B 106 106 TYR N N 335 117.950 118.541 -0.591 2
1 1209 . 2 2 B 107 107 PRO HA H 336 3.490 3.508 -0.018 2
1 1216 . 2 2 B 107 107 PRO C C 336 173.810 175.665 -1.855 2
1 1217 . 2 2 B 107 107 PRO CA C 336 59.540 62.130 -2.590 2
1 1218 . 2 2 B 107 107 PRO CB C 336 30.100 32.184 -2.084 2
1 1221 . 2 2 B 108 108 VAL H H 337 8.160 7.758 0.402 2
1 1222 . 2 2 B 108 108 VAL HA H 337 3.940 4.713 -0.773 2
1 1230 . 2 2 B 108 108 VAL C C 337 171.050 174.357 -3.307 2
1 1231 . 2 2 B 108 108 VAL CA C 337 59.380 60.353 -0.973 2
1 1232 . 2 2 B 108 108 VAL CB C 337 30.660 35.445 -4.785 2
1 1235 . 2 2 B 108 108 VAL N N 337 124.780 120.080 4.700 2
1 1236 . 2 2 B 109 109 CYS H H 338 8.200 8.890 -0.690 2
1 1237 . 2 2 B 109 109 CYS HA H 338 4.630 5.199 -0.569 2
1 1240 . 2 2 B 109 109 CYS C C 338 172.430 174.525 -2.095 2
1 1241 . 2 2 B 109 109 CYS CA C 338 54.830 57.308 -2.478 2
1 1242 . 2 2 B 109 109 CYS CB C 338 26.090 30.866 -4.776 2
1 1243 . 2 2 B 109 109 CYS N N 338 124.320 125.151 -0.831 2
2 4 . 1 1 A 2 2 SER HA H 170 4.480 4.138 0.342 2
2 5 . 1 1 A 2 2 SER CA C 170 53.340 58.788 -5.448 2
2 6 . 1 1 A 2 2 SER CB C 170 61.220 61.957 -0.737 2
2 7 . 1 1 A 3 3 PRO HA H 171 4.280 4.360 -0.080 2
2 12 . 1 1 A 3 3 PRO C C 171 174.290 176.958 -2.668 2
2 13 . 1 1 A 3 3 PRO CA C 171 61.250 65.410 -4.160 2
2 14 . 1 1 A 3 3 PRO CB C 171 29.410 31.304 -1.894 2
2 17 . 1 1 A 4 4 GLU H H 172 8.320 8.351 -0.031 2
2 18 . 1 1 A 4 4 GLU HA H 172 4.080 4.437 -0.357 2
2 23 . 1 1 A 4 4 GLU C C 172 173.560 176.073 -2.513 2
2 24 . 1 1 A 4 4 GLU CA C 172 54.430 57.282 -2.852 2
2 25 . 1 1 A 4 4 GLU CB C 172 27.260 32.727 -5.467 2
2 27 . 1 1 A 4 4 GLU N N 172 119.350 115.861 3.489 2
2 28 . 1 1 A 5 5 GLU H H 173 8.030 8.169 -0.139 2
2 29 . 1 1 A 5 5 GLU HA H 173 4.250 5.029 -0.779 2
2 32 . 1 1 A 5 5 GLU C C 173 173.220 174.210 -0.990 2
2 33 . 1 1 A 5 5 GLU CA C 173 54.390 54.761 -0.371 2
2 34 . 1 1 A 5 5 GLU CB C 173 28.110 33.233 -5.123 2
2 36 . 1 1 A 5 5 GLU N N 173 120.550 116.496 4.054 2
2 37 . 1 1 A 6 6 THR H H 174 8.550 8.788 -0.238 2
2 38 . 1 1 A 6 6 THR HA H 174 4.270 4.916 -0.646 2
2 43 . 1 1 A 6 6 THR C C 174 170.170 172.506 -2.336 2
2 44 . 1 1 A 6 6 THR CA C 174 59.950 59.481 0.469 2
2 45 . 1 1 A 6 6 THR CB C 174 67.500 71.543 -4.043 2
2 47 . 1 1 A 6 6 THR N N 174 119.000 114.961 4.039 2
2 48 . 1 1 A 7 7 LEU H H 175 8.430 8.646 -0.216 2
2 49 . 1 1 A 7 7 LEU HA H 175 5.060 5.332 -0.272 2
2 59 . 1 1 A 7 7 LEU C C 175 174.370 176.072 -1.702 2
2 60 . 1 1 A 7 7 LEU CA C 175 51.340 53.339 -1.999 2
2 61 . 1 1 A 7 7 LEU CB C 175 41.990 44.641 -2.651 2
2 65 . 1 1 A 7 7 LEU N N 175 127.130 123.771 3.359 2
2 66 . 1 1 A 8 8 VAL H H 176 9.200 8.934 0.266 2
2 67 . 1 1 A 8 8 VAL HA H 176 5.110 5.313 -0.203 2
2 75 . 1 1 A 8 8 VAL C C 176 170.920 174.626 -3.706 2
2 76 . 1 1 A 8 8 VAL CA C 176 55.440 59.285 -3.845 2
2 77 . 1 1 A 8 8 VAL CB C 176 33.010 35.667 -2.657 2
2 80 . 1 1 A 8 8 VAL N N 176 114.510 117.405 -2.895 2
2 81 . 1 1 A 9 9 ILE H H 177 9.260 8.212 1.048 2
2 82 . 1 1 A 9 9 ILE HA H 177 5.000 5.065 -0.065 2
2 92 . 1 1 A 9 9 ILE C C 177 173.310 174.960 -1.650 2
2 93 . 1 1 A 9 9 ILE CA C 177 56.040 59.809 -3.769 2
2 94 . 1 1 A 9 9 ILE CB C 177 38.730 42.194 -3.464 2
2 98 . 1 1 A 9 9 ILE N N 177 120.630 121.748 -1.118 2
2 99 . 1 1 A 10 10 ALA H H 178 8.140 8.492 -0.352 2
2 100 . 1 1 A 10 10 ALA HA H 178 5.020 4.747 0.273 2
2 104 . 1 1 A 10 10 ALA C C 178 176.100 178.181 -2.081 2
2 105 . 1 1 A 10 10 ALA CA C 178 48.680 51.900 -3.220 2
2 106 . 1 1 A 10 10 ALA CB C 178 17.410 19.050 -1.640 2
2 107 . 1 1 A 10 10 ALA N N 178 125.350 128.303 -2.953 2
2 108 . 1 1 A 11 11 LEU H H 179 9.270 8.578 0.692 2
2 109 . 1 1 A 11 11 LEU HA H 179 3.820 3.910 -0.090 2
2 119 . 1 1 A 11 11 LEU C C 179 172.830 176.318 -3.488 2
2 120 . 1 1 A 11 11 LEU CA C 179 52.950 57.091 -4.141 2
2 121 . 1 1 A 11 11 LEU CB C 179 41.340 41.785 -0.445 2
2 125 . 1 1 A 11 11 LEU N N 179 125.920 125.563 0.357 2
2 126 . 1 1 A 12 12 TYR H H 180 6.950 7.706 -0.756 2
2 127 . 1 1 A 12 12 TYR HA H 180 4.590 4.827 -0.237 2
2 130 . 1 1 A 12 12 TYR C C 180 170.940 174.333 -3.393 2
2 131 . 1 1 A 12 12 TYR CA C 180 50.960 56.866 -5.906 2
2 132 . 1 1 A 12 12 TYR CB C 180 39.780 41.489 -1.709 2
2 133 . 1 1 A 12 12 TYR N N 180 111.350 115.131 -3.781 2
2 134 . 1 1 A 13 13 ASP H H 181 8.150 8.608 -0.458 2
2 135 . 1 1 A 13 13 ASP HA H 181 4.510 4.882 -0.372 2
2 138 . 1 1 A 13 13 ASP C C 181 173.290 174.583 -1.293 2
2 139 . 1 1 A 13 13 ASP CA C 181 51.890 52.980 -1.090 2
2 140 . 1 1 A 13 13 ASP CB C 181 39.090 40.068 -0.978 2
2 141 . 1 1 A 13 13 ASP N N 181 117.630 122.332 -4.702 2
2 142 . 1 1 A 14 14 TYR H H 182 8.650 8.775 -0.125 2
2 143 . 1 1 A 14 14 TYR HA H 182 4.820 4.942 -0.122 2
2 144 . 1 1 A 14 14 TYR C C 182 171.140 175.149 -4.009 2
2 145 . 1 1 A 14 14 TYR CA C 182 54.940 58.880 -3.940 2
2 146 . 1 1 A 14 14 TYR CB C 182 38.980 39.940 -0.960 2
2 147 . 1 1 A 14 14 TYR N N 182 121.640 127.856 -6.216 2
2 148 . 1 1 A 15 15 GLN H H 183 7.880 7.912 -0.032 2
2 149 . 1 1 A 15 15 GLN HA H 183 4.360 4.822 -0.462 2
2 154 . 1 1 A 15 15 GLN C C 183 171.200 174.229 -3.029 2
2 155 . 1 1 A 15 15 GLN CA C 183 51.630 53.967 -2.337 2
2 156 . 1 1 A 15 15 GLN CB C 183 26.830 32.322 -5.492 2
2 158 . 1 1 A 15 15 GLN N N 183 126.050 126.069 -0.019 2
2 160 . 1 1 A 16 16 THR H H 184 7.770 9.051 -1.281 2
2 161 . 1 1 A 16 16 THR HA H 184 4.220 4.579 -0.359 2
2 166 . 1 1 A 16 16 THR C C 184 169.070 174.428 -5.358 2
2 167 . 1 1 A 16 16 THR CA C 184 56.940 62.175 -5.235 2
2 168 . 1 1 A 16 16 THR CB C 184 66.050 70.064 -4.014 2
2 170 . 1 1 A 16 16 THR N N 184 115.120 119.979 -4.859 2
2 171 . 1 1 A 17 17 ASN H H 185 8.590 9.147 -0.557 2
2 172 . 1 1 A 17 17 ASN HA H 185 4.800 5.012 -0.212 2
2 177 . 1 1 A 17 17 ASN C C 185 172.010 174.524 -2.514 2
2 178 . 1 1 A 17 17 ASN CA C 185 49.560 52.958 -3.398 2
2 179 . 1 1 A 17 17 ASN CB C 185 37.300 40.301 -3.001 2
2 180 . 1 1 A 17 17 ASN N N 185 122.670 120.486 2.184 2
2 182 . 1 1 A 18 18 ASP H H 186 8.370 7.711 0.659 2
2 183 . 1 1 A 18 18 ASP HA H 186 4.720 5.129 -0.409 2
2 186 . 1 1 A 18 18 ASP CA C 186 49.410 50.679 -1.269 2
2 187 . 1 1 A 18 18 ASP CB C 186 40.440 42.768 -2.328 2
2 188 . 1 1 A 18 18 ASP N N 186 125.630 118.036 7.594 2
2 189 . 1 1 A 19 19 PRO HA H 187 4.410 4.339 0.071 2
2 194 . 1 1 A 19 19 PRO C C 187 174.970 178.825 -3.855 2
2 195 . 1 1 A 19 19 PRO CA C 187 61.850 65.471 -3.621 2
2 196 . 1 1 A 19 19 PRO CB C 187 29.770 31.679 -1.909 2
2 199 . 1 1 A 20 20 GLN H H 188 8.820 8.540 0.280 2
2 200 . 1 1 A 20 20 GLN HA H 188 4.460 4.020 0.440 2
2 205 . 1 1 A 20 20 GLN C C 188 174.070 176.933 -2.863 2
2 206 . 1 1 A 20 20 GLN CA C 188 53.440 59.197 -5.757 2
2 207 . 1 1 A 20 20 GLN CB C 188 27.070 28.296 -1.226 2
2 209 . 1 1 A 20 20 GLN N N 188 115.810 117.172 -1.362 2
2 211 . 1 1 A 21 21 GLU H H 189 7.870 7.830 0.040 2
2 212 . 1 1 A 21 21 GLU HA H 189 5.270 4.618 0.652 2
2 215 . 1 1 A 21 21 GLU C C 189 171.580 175.567 -3.987 2
2 216 . 1 1 A 21 21 GLU CA C 189 52.390 57.208 -4.818 2
2 217 . 1 1 A 21 21 GLU CB C 189 31.370 30.290 1.080 2
2 219 . 1 1 A 21 21 GLU N N 189 120.380 118.174 2.206 2
2 220 . 1 1 A 22 22 LEU H H 190 8.070 8.626 -0.556 2
2 221 . 1 1 A 22 22 LEU HA H 190 4.360 4.997 -0.637 2
2 231 . 1 1 A 22 22 LEU C C 190 170.930 176.657 -5.727 2
2 232 . 1 1 A 22 22 LEU CA C 190 50.440 53.686 -3.246 2
2 233 . 1 1 A 22 22 LEU CB C 190 42.940 44.717 -1.777 2
2 237 . 1 1 A 22 22 LEU N N 190 123.040 124.700 -1.660 2
2 238 . 1 1 A 23 23 ALA H H 191 7.770 8.616 -0.846 2
2 239 . 1 1 A 23 23 ALA HA H 191 4.300 4.805 -0.505 2
2 243 . 1 1 A 23 23 ALA C C 191 174.830 177.679 -2.849 2
2 244 . 1 1 A 23 23 ALA CA C 191 49.650 52.835 -3.185 2
2 245 . 1 1 A 23 23 ALA CB C 191 16.320 19.217 -2.897 2
2 246 . 1 1 A 23 23 ALA N N 191 124.770 128.088 -3.318 2
2 247 . 1 1 A 24 24 LEU H H 192 8.530 8.944 -0.414 2
2 248 . 1 1 A 24 24 LEU HA H 192 4.940 5.401 -0.461 2
2 258 . 1 1 A 24 24 LEU C C 192 175.110 175.714 -0.604 2
2 259 . 1 1 A 24 24 LEU CA C 192 50.020 53.379 -3.359 2
2 260 . 1 1 A 24 24 LEU CB C 192 42.370 45.551 -3.181 2
2 264 . 1 1 A 24 24 LEU N N 192 117.040 121.079 -4.039 2
2 265 . 1 1 A 25 25 ARG H H 193 8.260 8.848 -0.588 2
2 266 . 1 1 A 25 25 ARG HA H 193 4.840 4.730 0.110 2
2 271 . 1 1 A 25 25 ARG C C 193 171.570 174.174 -2.604 2
2 272 . 1 1 A 25 25 ARG CA C 193 51.000 55.910 -4.910 2
2 273 . 1 1 A 25 25 ARG CB C 193 29.930 33.893 -3.963 2
2 276 . 1 1 A 25 25 ARG N N 193 123.500 120.228 3.272 2
2 278 . 1 1 A 26 26 CYS H H 194 8.890 8.520 0.370 2
2 279 . 1 1 A 26 26 CYS HA H 194 3.240 4.532 -1.292 2
2 280 . 1 1 A 26 26 CYS C C 194 172.110 175.291 -3.181 2
2 281 . 1 1 A 26 26 CYS CA C 194 58.740 59.411 -0.671 2
2 282 . 1 1 A 26 26 CYS CB C 194 24.000 28.387 -4.387 2
2 283 . 1 1 A 26 26 CYS N N 194 123.100 123.155 -0.055 2
2 284 . 1 1 A 27 27 ASP H H 195 8.860 8.957 -0.097 2
2 285 . 1 1 A 27 27 ASP HA H 195 4.150 4.172 -0.022 2
2 288 . 1 1 A 27 27 ASP C C 195 172.530 174.137 -1.607 2
2 289 . 1 1 A 27 27 ASP CA C 195 55.060 55.417 -0.357 2
2 290 . 1 1 A 27 27 ASP CB C 195 37.070 39.634 -2.564 2
2 291 . 1 1 A 27 27 ASP N N 195 120.740 120.570 0.170 2
2 292 . 1 1 A 28 28 GLU H H 196 8.280 7.429 0.851 2
2 293 . 1 1 A 28 28 GLU HA H 196 4.180 4.676 -0.496 2
2 294 . 1 1 A 28 28 GLU C C 196 170.910 175.096 -4.186 2
2 295 . 1 1 A 28 28 GLU CA C 196 54.050 55.047 -0.997 2
2 296 . 1 1 A 28 28 GLU CB C 196 27.260 31.937 -4.677 2
2 298 . 1 1 A 28 28 GLU N N 196 122.610 118.800 3.810 2
2 299 . 1 1 A 29 29 GLU H H 197 7.750 8.649 -0.899 2
2 300 . 1 1 A 29 29 GLU HA H 197 5.050 5.237 -0.187 2
2 303 . 1 1 A 29 29 GLU C C 197 172.340 173.906 -1.566 2
2 304 . 1 1 A 29 29 GLU CA C 197 51.650 54.328 -2.678 2
2 305 . 1 1 A 29 29 GLU CB C 197 29.810 33.281 -3.471 2
2 307 . 1 1 A 29 29 GLU N N 197 119.280 124.479 -5.199 2
2 308 . 1 1 A 30 30 TYR H H 198 9.110 8.857 0.253 2
2 309 . 1 1 A 30 30 TYR HA H 198 4.410 5.147 -0.737 2
2 312 . 1 1 A 30 30 TYR C C 198 171.550 173.785 -2.235 2
2 313 . 1 1 A 30 30 TYR CA C 198 53.790 56.456 -2.666 2
2 314 . 1 1 A 30 30 TYR CB C 198 39.450 43.581 -4.131 2
2 315 . 1 1 A 30 30 TYR N N 198 119.170 119.072 0.098 2
2 316 . 1 1 A 31 31 TYR H H 199 9.190 8.759 0.431 2
2 317 . 1 1 A 31 31 TYR HA H 199 4.780 5.363 -0.583 2
2 320 . 1 1 A 31 31 TYR C C 199 173.570 174.751 -1.181 2
2 321 . 1 1 A 31 31 TYR CA C 199 54.930 56.775 -1.845 2
2 322 . 1 1 A 31 31 TYR CB C 199 36.360 42.724 -6.364 2
2 323 . 1 1 A 31 31 TYR N N 199 119.570 118.572 0.998 2
2 324 . 1 1 A 32 32 LEU H H 200 8.780 8.486 0.294 2
2 325 . 1 1 A 32 32 LEU HA H 200 4.310 5.210 -0.900 2
2 335 . 1 1 A 32 32 LEU C C 200 172.640 175.669 -3.029 2
2 336 . 1 1 A 32 32 LEU CA C 200 52.200 53.650 -1.450 2
2 337 . 1 1 A 32 32 LEU CB C 200 40.010 45.401 -5.391 2
2 341 . 1 1 A 32 32 LEU N N 200 124.640 122.970 1.670 2
2 342 . 1 1 A 33 33 LEU H H 201 8.790 8.767 0.023 2
2 343 . 1 1 A 33 33 LEU HA H 201 4.370 4.631 -0.261 2
2 353 . 1 1 A 33 33 LEU C C 201 174.910 176.979 -2.069 2
2 354 . 1 1 A 33 33 LEU CA C 201 52.880 55.670 -2.790 2
2 355 . 1 1 A 33 33 LEU CB C 201 39.660 43.724 -4.064 2
2 359 . 1 1 A 33 33 LEU N N 201 127.530 126.843 0.687 2
2 360 . 1 1 A 34 34 ASP H H 202 7.420 7.994 -0.574 2
2 361 . 1 1 A 34 34 ASP HA H 202 4.640 4.910 -0.270 2
2 362 . 1 1 A 34 34 ASP C C 202 172.520 175.953 -3.433 2
2 363 . 1 1 A 34 34 ASP CA C 202 52.110 53.153 -1.043 2
2 364 . 1 1 A 34 34 ASP CB C 202 40.810 41.472 -0.662 2
2 365 . 1 1 A 34 34 ASP N N 202 114.900 119.553 -4.653 2
2 366 . 1 1 A 35 35 SER H H 203 8.960 8.865 0.095 2
2 367 . 1 1 A 35 35 SER HA H 203 4.250 3.979 0.271 2
2 370 . 1 1 A 35 35 SER C C 203 171.520 176.494 -4.974 2
2 371 . 1 1 A 35 35 SER CA C 203 54.280 59.741 -5.461 2
2 372 . 1 1 A 35 35 SER CB C 203 59.680 62.943 -3.263 2
2 373 . 1 1 A 35 35 SER N N 203 123.770 121.633 2.137 2
2 374 . 1 1 A 36 36 SER H H 204 8.510 7.437 1.073 2
2 375 . 1 1 A 36 36 SER HA H 204 3.980 4.302 -0.322 2
2 378 . 1 1 A 36 36 SER C C 204 172.960 175.246 -2.286 2
2 379 . 1 1 A 36 36 SER CA C 204 59.310 61.489 -2.179 2
2 380 . 1 1 A 36 36 SER CB C 204 60.670 62.510 -1.840 2
2 381 . 1 1 A 36 36 SER N N 204 118.690 113.962 4.728 2
2 382 . 1 1 A 37 37 GLU H H 205 8.770 7.769 1.001 2
2 383 . 1 1 A 37 37 GLU HA H 205 4.560 4.233 0.327 2
2 386 . 1 1 A 37 37 GLU C C 205 173.990 176.296 -2.306 2
2 387 . 1 1 A 37 37 GLU CA C 205 52.940 56.991 -4.051 2
2 388 . 1 1 A 37 37 GLU CB C 205 27.150 29.865 -2.715 2
2 390 . 1 1 A 37 37 GLU N N 205 123.110 121.799 1.311 2
2 391 . 1 1 A 38 38 ILE H H 206 8.130 8.124 0.006 2
2 392 . 1 1 A 38 38 ILE HA H 206 3.770 3.933 -0.163 2
2 402 . 1 1 A 38 38 ILE C C 206 176.120 177.509 -1.389 2
2 403 . 1 1 A 38 38 ILE CA C 206 62.000 63.405 -1.405 2
2 404 . 1 1 A 38 38 ILE CB C 206 35.530 37.557 -2.027 2
2 408 . 1 1 A 38 38 ILE N N 206 117.030 123.195 -6.165 2
2 409 . 1 1 A 39 39 HIS H H 207 8.460 6.705 1.755 2
2 410 . 1 1 A 39 39 HIS HA H 207 4.190 4.129 0.061 2
2 416 . 1 1 A 39 39 HIS C C 207 173.020 174.015 -0.995 2
2 417 . 1 1 A 39 39 HIS CA C 207 55.490 58.120 -2.630 2
2 418 . 1 1 A 39 39 HIS CB C 207 29.180 29.407 -0.227 2
2 421 . 1 1 A 39 39 HIS N N 207 116.550 118.204 -1.654 2
2 422 . 1 1 A 40 40 TRP H H 208 7.110 8.415 -1.305 2
2 423 . 1 1 A 40 40 TRP HA H 208 4.830 5.084 -0.254 2
2 432 . 1 1 A 40 40 TRP C C 208 171.260 175.152 -3.892 2
2 433 . 1 1 A 40 40 TRP CA C 208 53.520 55.460 -1.940 2
2 434 . 1 1 A 40 40 TRP CB C 208 29.810 32.197 -2.387 2
2 440 . 1 1 A 40 40 TRP N N 208 119.720 117.248 2.472 2
2 442 . 1 1 A 41 41 TRP H H 209 9.230 8.738 0.492 2
2 443 . 1 1 A 41 41 TRP HA H 209 5.390 5.295 0.095 2
2 452 . 1 1 A 41 41 TRP C C 209 172.080 176.077 -3.997 2
2 453 . 1 1 A 41 41 TRP CA C 209 50.440 55.725 -5.285 2
2 454 . 1 1 A 41 41 TRP CB C 209 29.620 30.591 -0.971 2
2 460 . 1 1 A 41 41 TRP N N 209 124.040 122.698 1.342 2
2 462 . 1 1 A 42 42 ARG H H 210 8.810 8.912 -0.102 2
2 463 . 1 1 A 42 42 ARG HA H 210 4.420 4.327 0.093 2
2 468 . 1 1 A 42 42 ARG C C 210 172.580 176.331 -3.751 2
2 469 . 1 1 A 42 42 ARG CA C 210 52.810 57.315 -4.505 2
2 470 . 1 1 A 42 42 ARG CB C 210 29.320 31.059 -1.739 2
2 473 . 1 1 A 42 42 ARG N N 210 123.410 125.391 -1.981 2
2 475 . 1 1 A 43 43 VAL H H 211 8.890 8.840 0.050 2
2 476 . 1 1 A 43 43 VAL HA H 211 5.360 5.243 0.117 2
2 484 . 1 1 A 43 43 VAL C C 211 170.480 173.631 -3.151 2
2 485 . 1 1 A 43 43 VAL CA C 211 56.190 58.906 -2.716 2
2 486 . 1 1 A 43 43 VAL CB C 211 34.090 35.941 -1.851 2
2 489 . 1 1 A 43 43 VAL N N 211 121.440 118.623 2.817 2
2 490 . 1 1 A 44 44 GLN H H 212 8.910 8.891 0.019 2
2 491 . 1 1 A 44 44 GLN HA H 212 5.610 5.055 0.555 2
2 498 . 1 1 A 44 44 GLN C C 212 172.980 174.839 -1.859 2
2 499 . 1 1 A 44 44 GLN CA C 212 50.810 54.326 -3.516 2
2 500 . 1 1 A 44 44 GLN CB C 212 32.440 31.917 0.523 2
2 502 . 1 1 A 44 44 GLN N N 212 119.200 121.842 -2.642 2
2 504 . 1 1 A 45 45 ASP H H 213 9.170 8.556 0.614 2
2 505 . 1 1 A 45 45 ASP HA H 213 4.970 4.788 0.182 2
2 508 . 1 1 A 45 45 ASP C C 213 175.570 177.600 -2.030 2
2 509 . 1 1 A 45 45 ASP CA C 213 49.920 54.676 -4.756 2
2 510 . 1 1 A 45 45 ASP CB C 213 40.390 42.858 -2.468 2
2 511 . 1 1 A 45 45 ASP N N 213 125.560 128.049 -2.489 2
2 512 . 1 1 A 46 46 LYS H H 214 8.860 8.758 0.102 2
2 513 . 1 1 A 46 46 LYS HA H 214 4.100 4.028 0.072 2
2 516 . 1 1 A 46 46 LYS C C 214 174.130 178.280 -4.150 2
2 517 . 1 1 A 46 46 LYS CA C 214 55.740 59.869 -4.129 2
2 518 . 1 1 A 46 46 LYS CB C 214 28.870 32.115 -3.245 2
2 522 . 1 1 A 46 46 LYS N N 214 117.320 125.853 -8.533 2
2 523 . 1 1 A 47 47 ASN H H 215 8.240 7.924 0.316 2
2 524 . 1 1 A 47 47 ASN HA H 215 4.790 4.667 0.123 2
2 529 . 1 1 A 47 47 ASN C C 215 172.460 175.852 -3.392 2
2 530 . 1 1 A 47 47 ASN CA C 215 50.430 53.894 -3.464 2
2 531 . 1 1 A 47 47 ASN CB C 215 37.100 38.564 -1.464 2
2 532 . 1 1 A 47 47 ASN N N 215 117.030 114.666 2.364 2
2 534 . 1 1 A 48 48 GLY H H 216 7.960 8.341 -0.381 2
2 535 . 1 1 A 48 48 GLY HA2 H 216 4.100 4.123 -0.023 2
2 536 . 1 1 A 48 48 GLY HA3 H 216 3.410 4.138 -0.728 2
2 537 . 1 1 A 48 48 GLY C C 216 171.730 174.563 -2.833 2
2 538 . 1 1 A 48 48 GLY CA C 216 42.800 45.507 -2.707 2
2 539 . 1 1 A 48 48 GLY N N 216 107.550 106.042 1.508 2
2 540 . 1 1 A 49 49 HIS H H 217 8.500 7.992 0.508 2
2 541 . 1 1 A 49 49 HIS HA H 217 4.610 4.565 0.045 2
2 547 . 1 1 A 49 49 HIS C C 217 171.240 173.859 -2.619 2
2 548 . 1 1 A 49 49 HIS CA C 217 53.440 55.543 -2.103 2
2 549 . 1 1 A 49 49 HIS CB C 217 26.730 29.727 -2.997 2
2 552 . 1 1 A 49 49 HIS N N 217 123.110 117.844 5.266 2
2 553 . 1 1 A 50 50 GLU H H 218 8.600 8.736 -0.136 2
2 554 . 1 1 A 50 50 GLU HA H 218 5.680 5.153 0.527 2
2 557 . 1 1 A 50 50 GLU C C 218 173.370 175.688 -2.318 2
2 558 . 1 1 A 50 50 GLU CA C 218 51.360 55.101 -3.741 2
2 559 . 1 1 A 50 50 GLU CB C 218 32.010 32.020 -0.010 2
2 561 . 1 1 A 50 50 GLU N N 218 120.370 122.467 -2.097 2
2 562 . 1 1 A 51 51 GLY H H 219 8.490 8.399 0.091 2
2 563 . 1 1 A 51 51 GLY HA2 H 219 3.790 4.006 -0.216 2
2 564 . 1 1 A 51 51 GLY HA3 H 219 3.650 4.154 -0.504 2
2 565 . 1 1 A 51 51 GLY C C 219 168.050 171.163 -3.113 2
2 566 . 1 1 A 51 51 GLY CA C 219 42.530 45.540 -3.010 2
2 567 . 1 1 A 51 51 GLY N N 219 106.330 108.578 -2.248 2
2 568 . 1 1 A 52 52 TYR H H 220 8.780 8.486 0.294 2
2 569 . 1 1 A 52 52 TYR HA H 220 5.220 4.896 0.324 2
2 572 . 1 1 A 52 52 TYR C C 220 172.700 176.230 -3.530 2
2 573 . 1 1 A 52 52 TYR CA C 220 56.490 58.735 -2.245 2
2 574 . 1 1 A 52 52 TYR CB C 220 38.490 39.521 -1.031 2
2 575 . 1 1 A 52 52 TYR N N 220 118.110 119.720 -1.610 2
2 576 . 1 1 A 53 53 ALA H H 221 9.350 9.041 0.309 2
2 577 . 1 1 A 53 53 ALA HA H 221 4.750 5.083 -0.333 2
2 581 . 1 1 A 53 53 ALA CA C 221 47.010 49.497 -2.487 2
2 582 . 1 1 A 53 53 ALA CB C 221 18.810 21.700 -2.890 2
2 583 . 1 1 A 53 53 ALA N N 221 122.250 126.259 -4.009 2
2 584 . 1 1 A 54 54 PRO HA H 222 3.460 3.756 -0.296 2
2 591 . 1 1 A 54 54 PRO C C 222 175.420 176.146 -0.726 2
2 592 . 1 1 A 54 54 PRO CA C 222 59.050 62.377 -3.327 2
2 593 . 1 1 A 54 54 PRO CB C 222 28.110 32.727 -4.617 2
2 596 . 1 1 A 55 55 SER H H 223 7.560 8.256 -0.696 2
2 597 . 1 1 A 55 55 SER HA H 223 2.620 3.373 -0.753 2
2 600 . 1 1 A 55 55 SER C C 223 173.930 176.072 -2.142 2
2 601 . 1 1 A 55 55 SER CA C 223 57.600 59.959 -2.359 2
2 602 . 1 1 A 55 55 SER CB C 223 57.450 63.114 -5.664 2
2 603 . 1 1 A 55 55 SER N N 223 121.750 117.434 4.316 2
2 604 . 1 1 A 56 56 SER H H 224 8.020 7.693 0.327 2
2 605 . 1 1 A 56 56 SER HA H 224 3.970 4.063 -0.093 2
2 608 . 1 1 A 56 56 SER C C 224 172.380 175.737 -3.357 2
2 609 . 1 1 A 56 56 SER CA C 224 57.350 62.130 -4.780 2
2 610 . 1 1 A 56 56 SER CB C 224 60.190 63.030 -2.840 2
2 611 . 1 1 A 56 56 SER N N 224 115.180 116.511 -1.331 2
2 612 . 1 1 A 57 57 TYR H H 225 7.450 7.427 0.023 2
2 613 . 1 1 A 57 57 TYR HA H 225 4.430 4.524 -0.094 2
2 616 . 1 1 A 57 57 TYR C C 225 171.470 175.197 -3.727 2
2 617 . 1 1 A 57 57 TYR CA C 225 55.180 60.093 -4.913 2
2 618 . 1 1 A 57 57 TYR CB C 225 35.610 38.667 -3.057 2
2 619 . 1 1 A 57 57 TYR N N 225 121.760 118.662 3.098 2
2 620 . 1 1 A 58 58 LEU H H 226 7.290 7.613 -0.323 2
2 621 . 1 1 A 58 58 LEU HA H 226 5.230 5.131 0.099 2
2 631 . 1 1 A 58 58 LEU C C 226 172.400 175.831 -3.431 2
2 632 . 1 1 A 58 58 LEU CA C 226 51.150 53.637 -2.487 2
2 633 . 1 1 A 58 58 LEU CB C 226 44.740 44.846 -0.106 2
2 637 . 1 1 A 58 58 LEU N N 226 120.930 120.486 0.444 2
2 638 . 1 1 A 59 59 VAL H H 227 8.480 8.924 -0.444 2
2 639 . 1 1 A 59 59 VAL HA H 227 4.590 4.896 -0.306 2
2 647 . 1 1 A 59 59 VAL C C 227 171.700 174.583 -2.883 2
2 648 . 1 1 A 59 59 VAL CA C 227 56.850 59.232 -2.382 2
2 649 . 1 1 A 59 59 VAL CB C 227 33.190 35.744 -2.554 2
2 652 . 1 1 A 59 59 VAL N N 227 115.550 117.383 -1.833 2
2 653 . 1 1 A 60 60 GLU H H 228 8.920 8.618 0.302 2
2 654 . 1 1 A 60 60 GLU HA H 228 4.300 4.446 -0.146 2
2 657 . 1 1 A 60 60 GLU C C 228 173.570 177.526 -3.956 2
2 658 . 1 1 A 60 60 GLU CA C 228 55.280 56.925 -1.645 2
2 659 . 1 1 A 60 60 GLU CB C 228 27.610 29.888 -2.278 2
2 661 . 1 1 A 60 60 GLU N N 228 124.860 124.518 0.342 2
2 662 . 1 1 A 61 61 LYS H H 229 8.300 9.416 -1.116 2
2 663 . 1 1 A 61 61 LYS HA H 229 4.080 3.813 0.267 2
2 670 . 1 1 A 61 61 LYS C C 229 173.430 176.319 -2.889 2
2 671 . 1 1 A 61 61 LYS CA C 229 54.220 59.478 -5.258 2
2 672 . 1 1 A 61 61 LYS CB C 229 31.390 32.473 -1.083 2
2 676 . 1 1 A 61 61 LYS N N 229 125.780 126.392 -0.612 2
2 677 . 1 1 A 62 62 SER H H 230 8.550 7.996 0.554 2
2 678 . 1 1 A 62 62 SER HA H 230 4.670 4.127 0.543 2
2 681 . 1 1 A 62 62 SER CA C 230 53.680 59.098 -5.418 2
2 682 . 1 1 A 62 62 SER CB C 230 60.670 61.604 -0.934 2
2 683 . 1 1 A 62 62 SER N N 230 121.100 114.265 6.835 2
3 12 . 2 2 B 4 4 ASN HA H 233 4.570 4.538 0.032 2
3 17 . 2 2 B 4 4 ASN CA C 233 50.830 53.056 -2.226 2
3 18 . 2 2 B 4 4 ASN CB C 233 35.610 37.156 -1.546 2
3 20 . 2 2 B 5 5 LEU H H 234 8.320 7.825 0.495 2
3 21 . 2 2 B 5 5 LEU HA H 234 3.900 4.081 -0.181 2
3 31 . 2 2 B 5 5 LEU CA C 234 53.890 54.671 -0.781 2
3 32 . 2 2 B 5 5 LEU CB C 234 37.740 41.650 -3.910 2
3 36 . 2 2 B 5 5 LEU N N 234 122.070 125.229 -3.159 2
3 37 . 2 2 B 6 6 GLU H H 235 8.090 7.848 0.242 2
3 38 . 2 2 B 6 6 GLU HA H 235 4.120 4.080 0.040 2
3 41 . 2 2 B 6 6 GLU CA C 235 56.410 59.053 -2.643 2
3 42 . 2 2 B 6 6 GLU CB C 235 26.560 29.513 -2.953 2
3 44 . 2 2 B 6 6 GLU N N 235 113.760 119.543 -5.783 2
3 45 . 2 2 B 7 7 THR H H 236 7.360 7.294 0.066 2
3 46 . 2 2 B 7 7 THR HA H 236 3.880 3.904 -0.024 2
3 51 . 2 2 B 7 7 THR CA C 236 59.940 64.932 -4.992 2
3 52 . 2 2 B 7 7 THR CB C 236 66.580 67.892 -1.312 2
3 54 . 2 2 B 7 7 THR N N 236 108.790 110.323 -1.533 2
3 55 . 2 2 B 8 8 TYR H H 237 7.400 7.245 0.155 2
3 56 . 2 2 B 8 8 TYR HA H 237 3.970 4.436 -0.466 2
3 63 . 2 2 B 8 8 TYR CA C 237 55.580 57.699 -2.119 2
3 64 . 2 2 B 8 8 TYR CB C 237 35.030 38.888 -3.858 2
3 66 . 2 2 B 8 8 TYR N N 237 120.720 121.572 -0.852 2
3 67 . 2 2 B 9 9 GLU H H 238 9.040 8.414 0.626 2
3 68 . 2 2 B 9 9 GLU HA H 238 3.860 4.175 -0.315 2
3 71 . 2 2 B 9 9 GLU CA C 238 55.770 58.852 -3.082 2
3 72 . 2 2 B 9 9 GLU CB C 238 26.890 30.227 -3.337 2
3 74 . 2 2 B 9 9 GLU N N 238 122.650 119.607 3.043 2
3 75 . 2 2 B 10 10 TRP H H 239 6.040 7.627 -1.587 2
3 76 . 2 2 B 10 10 TRP HA H 239 4.190 4.516 -0.326 2
3 85 . 2 2 B 10 10 TRP CA C 239 50.520 60.007 -9.487 2
3 86 . 2 2 B 10 10 TRP CB C 239 27.060 28.409 -1.349 2
3 92 . 2 2 B 10 10 TRP N N 239 107.760 118.881 -11.121 2
3 94 . 2 2 B 11 11 TYR H H 240 7.320 7.337 -0.017 2
3 95 . 2 2 B 11 11 TYR HA H 240 5.410 4.629 0.781 2
3 102 . 2 2 B 11 11 TYR CA C 240 54.010 59.364 -5.354 2
3 103 . 2 2 B 11 11 TYR CB C 240 35.210 38.666 -3.456 2
3 105 . 2 2 B 11 11 TYR N N 240 122.430 122.172 0.258 2
3 106 . 2 2 B 12 12 ASN H H 241 8.610 8.150 0.460 2
3 107 . 2 2 B 12 12 ASN HA H 241 4.600 5.020 -0.420 2
3 112 . 2 2 B 12 12 ASN CA C 241 48.880 52.329 -3.449 2
3 113 . 2 2 B 12 12 ASN CB C 241 38.970 40.514 -1.544 2
3 114 . 2 2 B 12 12 ASN N N 241 128.150 126.220 1.930 2
3 116 . 2 2 B 13 13 LYS H H 242 7.400 8.583 -1.183 2
3 117 . 2 2 B 13 13 LYS HA H 242 3.710 3.966 -0.256 2
3 120 . 2 2 B 13 13 LYS CA C 242 54.660 58.672 -4.012 2
3 121 . 2 2 B 13 13 LYS CB C 242 30.280 32.843 -2.563 2
3 125 . 2 2 B 13 13 LYS N N 242 121.780 123.697 -1.917 2
3 126 . 2 2 B 14 14 SER H H 243 8.290 7.911 0.379 2
3 127 . 2 2 B 14 14 SER HA H 243 4.170 4.297 -0.127 2
3 130 . 2 2 B 14 14 SER CA C 243 56.590 61.749 -5.159 2
3 131 . 2 2 B 14 14 SER CB C 243 59.830 63.008 -3.178 2
3 132 . 2 2 B 14 14 SER N N 243 115.140 114.594 0.546 2
3 133 . 2 2 B 15 15 ILE H H 244 7.450 7.273 0.177 2
3 134 . 2 2 B 15 15 ILE HA H 244 4.290 4.473 -0.183 2
3 141 . 2 2 B 15 15 ILE CA C 244 57.870 60.285 -2.415 2
3 142 . 2 2 B 15 15 ILE CB C 244 37.170 39.707 -2.537 2
3 146 . 2 2 B 15 15 ILE N N 244 120.010 122.243 -2.233 2
3 147 . 2 2 B 16 16 SER H H 245 8.060 8.725 -0.665 2
3 148 . 2 2 B 16 16 SER HA H 245 4.400 4.691 -0.291 2
3 151 . 2 2 B 16 16 SER CA C 245 54.580 57.468 -2.888 2
3 152 . 2 2 B 16 16 SER CB C 245 62.900 64.383 -1.483 2
3 153 . 2 2 B 16 16 SER N N 245 121.640 123.543 -1.903 2
3 154 . 2 2 B 17 17 ARG H H 246 8.920 8.901 0.019 2
3 155 . 2 2 B 17 17 ARG HA H 246 3.430 3.979 -0.549 2
3 160 . 2 2 B 17 17 ARG CA C 246 58.050 59.111 -1.061 2
3 161 . 2 2 B 17 17 ARG CB C 246 27.830 30.087 -2.257 2
3 164 . 2 2 B 17 17 ARG N N 246 122.060 124.504 -2.444 2
3 165 . 2 2 B 18 18 ASP H H 247 8.350 8.132 0.218 2
3 166 . 2 2 B 18 18 ASP HA H 247 4.170 4.405 -0.235 2
3 169 . 2 2 B 18 18 ASP CA C 247 54.610 57.040 -2.430 2
3 170 . 2 2 B 18 18 ASP CB C 247 37.920 40.029 -2.109 2
3 171 . 2 2 B 18 18 ASP N N 247 115.450 119.954 -4.504 2
3 172 . 2 2 B 19 19 LYS H H 248 7.550 7.827 -0.277 2
3 173 . 2 2 B 19 19 LYS HA H 248 3.920 3.990 -0.070 2
3 176 . 2 2 B 19 19 LYS CA C 248 55.920 59.056 -3.136 2
3 177 . 2 2 B 19 19 LYS CB C 248 29.450 32.308 -2.858 2
3 181 . 2 2 B 19 19 LYS N N 248 121.070 119.212 1.858 2
3 182 . 2 2 B 20 20 ALA H H 249 8.530 8.367 0.163 2
3 183 . 2 2 B 20 20 ALA HA H 249 3.730 3.995 -0.265 2
3 187 . 2 2 B 20 20 ALA CA C 249 52.970 55.053 -2.083 2
3 188 . 2 2 B 20 20 ALA CB C 249 16.780 18.133 -1.353 2
3 189 . 2 2 B 20 20 ALA N N 249 121.990 121.940 0.050 2
3 190 . 2 2 B 21 21 GLU H H 250 8.250 7.785 0.465 2
3 191 . 2 2 B 21 21 GLU HA H 250 3.700 4.020 -0.320 2
3 196 . 2 2 B 21 21 GLU CA C 250 58.320 59.537 -1.217 2
3 197 . 2 2 B 21 21 GLU CB C 250 26.210 29.597 -3.387 2
3 199 . 2 2 B 21 21 GLU N N 250 114.110 117.845 -3.735 2
3 200 . 2 2 B 22 22 LYS H H 251 7.450 7.496 -0.046 2
3 201 . 2 2 B 22 22 LYS HA H 251 3.820 4.014 -0.194 2
3 210 . 2 2 B 22 22 LYS CA C 251 56.950 59.051 -2.101 2
3 211 . 2 2 B 22 22 LYS CB C 251 29.460 32.000 -2.540 2
3 215 . 2 2 B 22 22 LYS N N 251 118.150 118.986 -0.836 2
3 216 . 2 2 B 23 23 LEU H H 252 8.030 8.440 -0.410 2
3 217 . 2 2 B 23 23 LEU HA H 252 3.930 3.996 -0.066 2
3 227 . 2 2 B 23 23 LEU CA C 252 55.130 58.127 -2.997 2
3 228 . 2 2 B 23 23 LEU CB C 252 39.770 41.309 -1.539 2
3 232 . 2 2 B 23 23 LEU N N 252 117.680 120.974 -3.294 2
3 233 . 2 2 B 24 24 LEU H H 253 8.060 7.765 0.295 2
3 234 . 2 2 B 24 24 LEU HA H 253 3.860 4.063 -0.203 2
3 244 . 2 2 B 24 24 LEU CA C 253 55.480 57.795 -2.315 2
3 245 . 2 2 B 24 24 LEU CB C 253 40.010 40.908 -0.898 2
3 249 . 2 2 B 24 24 LEU N N 253 118.710 118.057 0.653 2
3 250 . 2 2 B 25 25 LEU H H 254 8.870 7.373 1.497 2
3 251 . 2 2 B 25 25 LEU HA H 254 3.870 3.216 0.654 2
3 261 . 2 2 B 25 25 LEU CA C 254 55.680 57.858 -2.178 2
3 262 . 2 2 B 25 25 LEU CB C 254 39.040 41.242 -2.202 2
3 266 . 2 2 B 25 25 LEU N N 254 122.230 120.135 2.095 2
3 267 . 2 2 B 26 26 ASP H H 255 8.110 7.948 0.162 2
3 268 . 2 2 B 26 26 ASP HA H 255 4.170 4.331 -0.161 2
3 271 . 2 2 B 26 26 ASP CA C 255 53.910 57.213 -3.303 2
3 272 . 2 2 B 26 26 ASP CB C 255 37.710 41.949 -4.239 2
3 273 . 2 2 B 26 26 ASP N N 255 117.470 119.198 -1.728 2
3 274 . 2 2 B 27 27 THR H H 256 7.240 7.594 -0.354 2
3 275 . 2 2 B 27 27 THR HA H 256 3.770 4.031 -0.261 2
3 280 . 2 2 B 27 27 THR CA C 256 63.070 65.962 -2.892 2
3 281 . 2 2 B 27 27 THR CB C 256 65.960 69.075 -3.115 2
3 283 . 2 2 B 27 27 THR N N 256 112.880 114.298 -1.418 2
3 284 . 2 2 B 28 28 GLY H H 257 7.010 8.423 -1.413 2
3 285 . 2 2 B 28 28 GLY HA2 H 257 3.390 4.004 -0.614 2
3 286 . 2 2 B 28 28 GLY HA3 H 257 2.860 4.188 -1.328 2
3 287 . 2 2 B 28 28 GLY CA C 257 44.440 46.847 -2.407 2
3 288 . 2 2 B 28 28 GLY N N 257 105.350 109.638 -4.288 2
3 289 . 2 2 B 29 29 LYS H H 258 6.080 7.806 -1.726 2
3 290 . 2 2 B 29 29 LYS HA H 258 4.230 4.684 -0.454 2
3 295 . 2 2 B 29 29 LYS CA C 258 51.550 53.970 -2.420 2
3 296 . 2 2 B 29 29 LYS CB C 258 32.520 35.923 -3.403 2
3 300 . 2 2 B 29 29 LYS N N 258 117.190 119.033 -1.843 2
3 301 . 2 2 B 30 30 GLU H H 259 8.660 8.566 0.094 2
3 302 . 2 2 B 30 30 GLU HA H 259 3.870 4.026 -0.156 2
3 303 . 2 2 B 30 30 GLU CA C 259 55.300 57.217 -1.917 2
3 304 . 2 2 B 30 30 GLU CB C 259 27.420 29.487 -2.067 2
3 306 . 2 2 B 30 30 GLU N N 259 124.820 121.679 3.141 2
3 307 . 2 2 B 31 31 GLY H H 260 8.910 8.806 0.104 2
3 308 . 2 2 B 31 31 GLY HA2 H 260 4.330 3.970 0.360 2
3 309 . 2 2 B 31 31 GLY HA3 H 260 3.750 3.991 -0.241 2
3 310 . 2 2 B 31 31 GLY CA C 260 44.370 45.033 -0.663 2
3 311 . 2 2 B 31 31 GLY N N 260 114.020 112.760 1.260 2
3 312 . 2 2 B 32 32 ALA H H 261 8.510 7.791 0.719 2
3 313 . 2 2 B 32 32 ALA HA H 261 5.600 4.601 0.999 2
3 317 . 2 2 B 32 32 ALA CA C 261 49.600 52.852 -3.252 2
3 318 . 2 2 B 32 32 ALA CB C 261 16.020 19.317 -3.297 2
3 319 . 2 2 B 32 32 ALA N N 261 125.860 124.173 1.687 2
3 320 . 2 2 B 33 33 PHE H H 262 8.860 8.886 -0.026 2
3 321 . 2 2 B 33 33 PHE HA H 262 5.970 5.840 0.130 2
3 328 . 2 2 B 33 33 PHE CA C 262 53.360 55.110 -1.750 2
3 329 . 2 2 B 33 33 PHE CB C 262 42.050 42.618 -0.568 2
3 330 . 2 2 B 33 33 PHE N N 262 120.070 120.465 -0.395 2
3 331 . 2 2 B 34 34 MET H H 263 8.670 9.380 -0.710 2
3 332 . 2 2 B 34 34 MET HA H 263 4.730 5.169 -0.439 2
3 340 . 2 2 B 34 34 MET CA C 263 52.100 54.187 -2.087 2
3 341 . 2 2 B 34 34 MET CB C 263 34.520 35.882 -1.362 2
3 344 . 2 2 B 34 34 MET N N 263 111.210 119.791 -8.581 2
3 345 . 2 2 B 35 35 VAL H H 264 9.280 9.220 0.060 2
3 346 . 2 2 B 35 35 VAL HA H 264 5.220 5.542 -0.322 2
3 354 . 2 2 B 35 35 VAL CA C 264 58.920 60.276 -1.356 2
3 355 . 2 2 B 35 35 VAL CB C 264 31.070 35.842 -4.772 2
3 358 . 2 2 B 35 35 VAL N N 264 120.290 121.573 -1.283 2
3 359 . 2 2 B 36 36 ARG H H 265 9.480 9.387 0.093 2
3 360 . 2 2 B 36 36 ARG HA H 265 5.310 4.919 0.391 2
3 366 . 2 2 B 36 36 ARG CA C 265 50.410 54.285 -3.875 2
3 367 . 2 2 B 36 36 ARG CB C 265 31.150 34.069 -2.919 2
3 370 . 2 2 B 36 36 ARG N N 265 124.140 125.189 -1.049 2
3 372 . 2 2 B 37 37 ASP H H 266 8.920 8.422 0.498 2
3 373 . 2 2 B 37 37 ASP HA H 266 4.740 4.703 0.037 2
3 376 . 2 2 B 37 37 ASP CA C 266 52.950 54.996 -2.046 2
3 377 . 2 2 B 37 37 ASP CB C 266 38.070 41.384 -3.314 2
3 378 . 2 2 B 37 37 ASP N N 266 122.280 127.666 -5.386 2
3 379 . 2 2 B 38 38 SER H H 267 8.060 8.990 -0.930 2
3 380 . 2 2 B 38 38 SER HA H 267 4.570 4.722 -0.152 2
3 381 . 2 2 B 38 38 SER CA C 267 53.700 56.501 -2.801 2
3 382 . 2 2 B 38 38 SER CB C 267 60.580 65.758 -5.178 2
3 383 . 2 2 B 38 38 SER N N 267 118.010 121.464 -3.454 2
3 384 . 2 2 B 39 39 ARG H H 268 8.880 8.672 0.208 2
3 385 . 2 2 B 39 39 ARG HA H 268 3.920 4.033 -0.113 2
3 386 . 2 2 B 39 39 ARG CA C 268 56.090 59.849 -3.759 2
3 387 . 2 2 B 39 39 ARG CB C 268 27.500 30.193 -2.693 2
3 390 . 2 2 B 39 39 ARG N N 268 123.100 123.766 -0.666 2
3 391 . 2 2 B 40 40 THR H H 269 8.020 7.766 0.254 2
3 392 . 2 2 B 40 40 THR HA H 269 4.340 4.458 -0.118 2
3 397 . 2 2 B 40 40 THR CA C 269 57.690 61.401 -3.711 2
3 398 . 2 2 B 40 40 THR CB C 269 66.360 69.457 -3.097 2
3 400 . 2 2 B 40 40 THR N N 269 118.130 114.291 3.839 2
3 401 . 2 2 B 41 41 PRO HA H 270 4.290 4.638 -0.348 2
3 408 . 2 2 B 41 41 PRO CA C 270 60.920 64.484 -3.564 2
3 409 . 2 2 B 41 41 PRO CB C 270 29.500 32.006 -2.506 2
3 412 . 2 2 B 42 42 GLY H H 271 8.460 8.268 0.192 2
3 413 . 2 2 B 42 42 GLY HA2 H 271 4.040 4.020 0.020 2
3 414 . 2 2 B 42 42 GLY HA3 H 271 3.530 4.129 -0.599 2
3 415 . 2 2 B 42 42 GLY CA C 271 42.650 45.703 -3.053 2
3 416 . 2 2 B 42 42 GLY N N 271 111.130 106.624 4.506 2
3 417 . 2 2 B 43 43 THR H H 272 7.320 6.981 0.339 2
3 418 . 2 2 B 43 43 THR HA H 272 4.620 4.622 -0.002 2
3 423 . 2 2 B 43 43 THR CA C 272 57.680 61.385 -3.705 2
3 424 . 2 2 B 43 43 THR CB C 272 69.400 69.921 -0.521 2
3 426 . 2 2 B 43 43 THR N N 272 110.850 113.788 -2.938 2
3 427 . 2 2 B 44 44 TYR H H 273 9.560 7.995 1.565 2
3 428 . 2 2 B 44 44 TYR HA H 273 5.260 4.773 0.487 2
3 434 . 2 2 B 44 44 TYR CA C 273 55.740 58.252 -2.512 2
3 435 . 2 2 B 44 44 TYR CB C 273 40.560 39.423 1.137 2
3 438 . 2 2 B 44 44 TYR N N 273 122.230 127.138 -4.908 2
3 439 . 2 2 B 45 45 THR H H 274 9.240 9.160 0.080 2
3 440 . 2 2 B 45 45 THR HA H 274 4.950 5.116 -0.166 2
3 445 . 2 2 B 45 45 THR CA C 274 59.110 61.432 -2.322 2
3 446 . 2 2 B 45 45 THR CB C 274 70.390 71.637 -1.247 2
3 448 . 2 2 B 45 45 THR N N 274 118.150 114.696 3.454 2
3 449 . 2 2 B 46 46 VAL H H 275 9.370 8.634 0.736 2
3 450 . 2 2 B 46 46 VAL HA H 275 4.880 4.700 0.180 2
3 452 . 2 2 B 46 46 VAL CA C 275 58.370 62.203 -3.833 2
3 453 . 2 2 B 46 46 VAL CB C 275 30.970 31.163 -0.193 2
3 455 . 2 2 B 46 46 VAL N N 275 126.010 128.533 -2.523 2
3 456 . 2 2 B 47 47 SER H H 276 8.980 9.025 -0.045 2
3 457 . 2 2 B 47 47 SER HA H 276 5.500 4.695 0.805 2
3 460 . 2 2 B 47 47 SER CA C 276 55.840 58.263 -2.423 2
3 461 . 2 2 B 47 47 SER CB C 276 63.080 63.578 -0.498 2
3 462 . 2 2 B 47 47 SER N N 276 125.910 125.149 0.761 2
3 463 . 2 2 B 48 48 VAL H H 277 8.960 9.801 -0.841 2
3 464 . 2 2 B 48 48 VAL HA H 277 5.380 4.758 0.622 2
3 472 . 2 2 B 48 48 VAL CA C 277 56.360 61.305 -4.945 2
3 473 . 2 2 B 48 48 VAL CB C 277 33.740 33.248 0.492 2
3 476 . 2 2 B 48 48 VAL N N 277 122.030 127.370 -5.340 2
3 477 . 2 2 B 49 49 PHE H H 278 8.880 9.532 -0.652 2
3 478 . 2 2 B 49 49 PHE HA H 278 4.970 5.297 -0.327 2
3 484 . 2 2 B 49 49 PHE CA C 278 54.580 56.085 -1.505 2
3 485 . 2 2 B 49 49 PHE CB C 278 39.490 42.314 -2.824 2
3 486 . 2 2 B 49 49 PHE N N 278 128.450 128.389 0.061 2
3 487 . 2 2 B 50 50 THR H H 279 8.420 8.595 -0.175 2
3 488 . 2 2 B 50 50 THR HA H 279 4.760 4.309 0.451 2
3 493 . 2 2 B 50 50 THR CA C 279 57.170 59.877 -2.707 2
3 494 . 2 2 B 50 50 THR CB C 279 68.580 72.040 -3.460 2
3 496 . 2 2 B 50 50 THR N N 279 121.640 120.610 1.030 2
3 497 . 2 2 B 51 51 LYS H H 280 10.550 8.253 2.297 2
3 498 . 2 2 B 51 51 LYS HA H 280 4.460 4.503 -0.043 2
3 501 . 2 2 B 51 51 LYS CA C 280 53.640 56.882 -3.242 2
3 502 . 2 2 B 51 51 LYS CB C 280 29.780 32.019 -2.239 2
3 506 . 2 2 B 51 51 LYS N N 280 130.730 126.064 4.666 2
3 507 . 2 2 B 52 52 ALA H H 281 9.110 8.580 0.530 2
3 508 . 2 2 B 52 52 ALA HA H 281 3.590 4.630 -1.040 2
3 512 . 2 2 B 52 52 ALA CA C 281 50.660 50.822 -0.162 2
3 513 . 2 2 B 52 52 ALA CB C 281 16.940 21.973 -5.033 2
3 514 . 2 2 B 52 52 ALA N N 281 122.100 126.572 -4.472 2
3 515 . 2 2 B 53 53 ILE H H 282 8.940 8.693 0.247 2
3 516 . 2 2 B 53 53 ILE HA H 282 3.860 4.031 -0.171 2
3 526 . 2 2 B 53 53 ILE CA C 282 57.290 62.323 -5.033 2
3 527 . 2 2 B 53 53 ILE CB C 282 33.250 36.984 -3.734 2
3 531 . 2 2 B 53 53 ILE N N 282 121.660 115.564 6.096 2
3 532 . 2 2 B 54 54 ILE H H 283 8.010 8.499 -0.489 2
3 533 . 2 2 B 54 54 ILE HA H 283 3.970 4.062 -0.092 2
3 543 . 2 2 B 54 54 ILE CA C 283 61.650 63.153 -1.503 2
3 544 . 2 2 B 54 54 ILE CB C 283 35.190 38.471 -3.281 2
3 548 . 2 2 B 54 54 ILE N N 283 127.060 127.887 -0.827 2
3 549 . 2 2 B 55 55 SER H H 284 7.610 7.876 -0.266 2
3 550 . 2 2 B 55 55 SER HA H 284 4.180 4.284 -0.104 2
3 553 . 2 2 B 55 55 SER CA C 284 56.290 61.166 -4.876 2
3 554 . 2 2 B 55 55 SER CB C 284 60.710 62.963 -2.253 2
3 555 . 2 2 B 55 55 SER N N 284 111.910 116.513 -4.603 2
3 556 . 2 2 B 56 56 GLU H H 285 7.360 7.831 -0.471 2
3 557 . 2 2 B 56 56 GLU HA H 285 4.110 4.768 -0.658 2
3 560 . 2 2 B 56 56 GLU CA C 285 52.990 55.380 -2.390 2
3 561 . 2 2 B 56 56 GLU CB C 285 26.950 32.908 -5.958 2
3 563 . 2 2 B 56 56 GLU N N 285 124.910 119.108 5.802 2
3 564 . 2 2 B 57 57 ASN H H 286 7.940 9.032 -1.092 2
3 565 . 2 2 B 57 57 ASN HA H 286 4.860 5.427 -0.567 2
3 570 . 2 2 B 57 57 ASN CA C 286 46.360 50.430 -4.070 2
3 571 . 2 2 B 57 57 ASN CB C 286 37.400 41.636 -4.236 2
3 572 . 2 2 B 57 57 ASN N N 286 120.980 120.230 0.750 2
3 574 . 2 2 B 58 58 PRO HA H 287 4.740 4.836 -0.096 2
3 579 . 2 2 B 58 58 PRO CA C 287 61.270 62.849 -1.579 2
3 580 . 2 2 B 58 58 PRO CB C 287 33.950 32.766 1.184 2
3 583 . 2 2 B 59 59 CYS H H 288 8.180 8.641 -0.461 2
3 584 . 2 2 B 59 59 CYS HA H 288 4.450 5.122 -0.672 2
3 587 . 2 2 B 59 59 CYS CA C 288 54.210 57.586 -3.376 2
3 588 . 2 2 B 59 59 CYS CB C 288 27.480 31.501 -4.021 2
3 589 . 2 2 B 59 59 CYS N N 288 112.770 119.530 -6.760 2
3 590 . 2 2 B 60 60 ILE H H 289 8.170 8.653 -0.483 2
3 591 . 2 2 B 60 60 ILE HA H 289 4.770 4.666 0.104 2
3 601 . 2 2 B 60 60 ILE CA C 289 55.020 59.856 -4.836 2
3 602 . 2 2 B 60 60 ILE CB C 289 34.160 39.050 -4.890 2
3 606 . 2 2 B 60 60 ILE N N 289 121.110 125.036 -3.926 2
3 607 . 2 2 B 61 61 LYS H H 290 8.580 9.466 -0.886 2
3 608 . 2 2 B 61 61 LYS HA H 290 4.210 4.573 -0.363 2
3 611 . 2 2 B 61 61 LYS CA C 290 49.820 54.342 -4.522 2
3 612 . 2 2 B 61 61 LYS CB C 290 32.060 33.829 -1.769 2
3 616 . 2 2 B 61 61 LYS N N 290 125.300 127.453 -2.153 2
3 617 . 2 2 B 62 62 HIS H H 291 8.130 8.747 -0.617 2
3 618 . 2 2 B 62 62 HIS HA H 291 5.180 5.068 0.112 2
3 623 . 2 2 B 62 62 HIS CA C 291 51.700 53.767 -2.067 2
3 624 . 2 2 B 62 62 HIS CB C 291 29.920 31.333 -1.413 2
3 627 . 2 2 B 62 62 HIS N N 291 120.770 121.641 -0.871 2
3 628 . 2 2 B 63 63 TYR H H 292 9.740 8.768 0.972 2
3 629 . 2 2 B 63 63 TYR HA H 292 4.680 4.895 -0.215 2
3 634 . 2 2 B 63 63 TYR CA C 292 53.690 56.839 -3.149 2
3 635 . 2 2 B 63 63 TYR CB C 292 37.600 37.738 -0.138 2
3 637 . 2 2 B 63 63 TYR N N 292 123.110 124.330 -1.220 2
3 638 . 2 2 B 64 64 HIS H H 293 9.020 9.076 -0.056 2
3 639 . 2 2 B 64 64 HIS HA H 293 4.740 4.581 0.159 2
3 642 . 2 2 B 64 64 HIS CA C 293 54.550 57.895 -3.345 2
3 643 . 2 2 B 64 64 HIS CB C 293 27.890 30.471 -2.581 2
3 646 . 2 2 B 64 64 HIS N N 293 125.360 126.192 -0.832 2
3 647 . 2 2 B 65 65 ILE H H 294 8.750 8.784 -0.034 2
3 648 . 2 2 B 65 65 ILE HA H 294 3.930 3.948 -0.018 2
3 658 . 2 2 B 65 65 ILE CA C 294 60.460 62.228 -1.768 2
3 659 . 2 2 B 65 65 ILE CB C 294 33.240 37.696 -4.456 2
3 663 . 2 2 B 65 65 ILE N N 294 125.070 125.868 -0.798 2
3 664 . 2 2 B 66 66 LYS H H 295 8.660 8.064 0.596 2
3 665 . 2 2 B 66 66 LYS HA H 295 4.110 4.147 -0.037 2
3 670 . 2 2 B 66 66 LYS CA C 295 52.640 56.420 -3.780 2
3 671 . 2 2 B 66 66 LYS CB C 295 29.660 32.173 -2.513 2
3 675 . 2 2 B 66 66 LYS N N 295 131.830 127.459 4.371 2
3 676 . 2 2 B 67 67 GLU H H 296 7.900 8.604 -0.704 2
3 677 . 2 2 B 67 67 GLU HA H 296 5.290 5.047 0.243 2
3 680 . 2 2 B 67 67 GLU CA C 296 50.330 55.182 -4.852 2
3 681 . 2 2 B 67 67 GLU CB C 296 30.370 30.829 -0.459 2
3 683 . 2 2 B 67 67 GLU N N 296 115.750 124.619 -8.869 2
3 684 . 2 2 B 68 68 THR H H 297 8.550 9.254 -0.704 2
3 685 . 2 2 B 68 68 THR HA H 297 4.510 4.739 -0.229 2
3 690 . 2 2 B 68 68 THR CA C 297 57.680 60.425 -2.745 2
3 691 . 2 2 B 68 68 THR CB C 297 67.660 69.401 -1.741 2
3 693 . 2 2 B 68 68 THR N N 297 113.310 122.384 -9.074 2
3 694 . 2 2 B 69 69 ASN H H 298 8.350 8.899 -0.549 2
3 695 . 2 2 B 69 69 ASN HA H 298 4.800 4.665 0.135 2
3 700 . 2 2 B 69 69 ASN CA C 298 49.800 53.285 -3.485 2
3 701 . 2 2 B 69 69 ASN CB C 298 35.410 38.369 -2.959 2
3 702 . 2 2 B 69 69 ASN N N 298 114.870 128.084 -13.214 2
3 704 . 2 2 B 70 70 ASP H H 299 7.100 8.381 -1.281 2
3 705 . 2 2 B 70 70 ASP HA H 299 4.300 5.188 -0.888 2
3 708 . 2 2 B 70 70 ASP CA C 299 51.970 52.529 -0.559 2
3 709 . 2 2 B 70 70 ASP CB C 299 41.330 43.682 -2.352 2
3 710 . 2 2 B 70 70 ASP N N 299 117.030 126.148 -9.118 2
3 711 . 2 2 B 71 71 SER H H 300 8.140 8.521 -0.381 2
3 712 . 2 2 B 71 71 SER HA H 300 4.540 4.826 -0.286 2
3 715 . 2 2 B 71 71 SER CA C 300 51.670 55.961 -4.291 2
3 716 . 2 2 B 71 71 SER CB C 300 61.600 63.395 -1.795 2
3 717 . 2 2 B 71 71 SER N N 300 112.930 115.562 -2.632 2
3 718 . 2 2 B 72 72 PRO HA H 301 4.650 4.437 0.213 2
3 725 . 2 2 B 72 72 PRO CA C 301 60.310 65.086 -4.776 2
3 726 . 2 2 B 72 72 PRO CB C 301 32.150 31.620 0.530 2
3 729 . 2 2 B 73 73 LYS H H 302 8.080 8.204 -0.124 2
3 730 . 2 2 B 73 73 LYS HA H 302 3.520 4.015 -0.495 2
3 733 . 2 2 B 73 73 LYS CA C 302 55.510 57.164 -1.654 2
3 734 . 2 2 B 73 73 LYS CB C 302 30.920 31.272 -0.352 2
3 738 . 2 2 B 73 73 LYS N N 302 119.220 117.089 2.131 2
3 739 . 2 2 B 74 74 ARG H H 303 7.280 8.429 -1.149 2
3 740 . 2 2 B 74 74 ARG HA H 303 4.460 4.736 -0.276 2
3 746 . 2 2 B 74 74 ARG CA C 303 51.910 56.379 -4.469 2
3 747 . 2 2 B 74 74 ARG CB C 303 30.500 32.140 -1.640 2
3 750 . 2 2 B 74 74 ARG N N 303 119.550 118.722 0.828 2
3 752 . 2 2 B 75 75 TYR H H 304 8.800 7.580 1.220 2
3 753 . 2 2 B 75 75 TYR HA H 304 5.710 5.158 0.552 2
3 760 . 2 2 B 75 75 TYR CA C 304 54.920 56.653 -1.733 2
3 761 . 2 2 B 75 75 TYR CB C 304 40.830 40.259 0.571 2
3 762 . 2 2 B 75 75 TYR N N 304 115.290 119.528 -4.238 2
3 763 . 2 2 B 76 76 TYR H H 305 8.820 8.649 0.171 2
3 764 . 2 2 B 76 76 TYR HA H 305 5.190 5.486 -0.296 2
3 771 . 2 2 B 76 76 TYR CA C 305 55.340 56.911 -1.571 2
3 772 . 2 2 B 76 76 TYR CB C 305 38.670 40.244 -1.574 2
3 775 . 2 2 B 76 76 TYR N N 305 116.200 119.599 -3.399 2
3 776 . 2 2 B 77 77 VAL H H 306 9.900 9.109 0.791 2
3 777 . 2 2 B 77 77 VAL HA H 306 4.490 4.504 -0.014 2
3 785 . 2 2 B 77 77 VAL CA C 306 59.740 60.906 -1.166 2
3 786 . 2 2 B 77 77 VAL CB C 306 30.880 31.937 -1.057 2
3 789 . 2 2 B 77 77 VAL N N 306 114.290 116.871 -2.581 2
3 790 . 2 2 B 78 78 ALA H H 307 9.310 8.761 0.549 2
3 791 . 2 2 B 78 78 ALA HA H 307 4.690 4.512 0.178 2
3 795 . 2 2 B 78 78 ALA CA C 307 48.680 52.324 -3.644 2
3 796 . 2 2 B 78 78 ALA CB C 307 19.010 21.567 -2.557 2
3 797 . 2 2 B 78 78 ALA N N 307 128.280 126.877 1.403 2
3 798 . 2 2 B 79 79 GLU H H 308 8.740 8.855 -0.115 2
3 799 . 2 2 B 79 79 GLU HA H 308 3.050 3.691 -0.641 2
3 802 . 2 2 B 79 79 GLU CA C 308 56.960 57.808 -0.848 2
3 803 . 2 2 B 79 79 GLU CB C 308 26.880 27.492 -0.612 2
3 805 . 2 2 B 79 79 GLU N N 308 121.520 114.636 6.884 2
3 806 . 2 2 B 80 80 LYS H H 309 7.770 8.147 -0.377 2
3 807 . 2 2 B 80 80 LYS HA H 309 3.550 4.008 -0.458 2
3 812 . 2 2 B 80 80 LYS CA C 309 55.010 57.897 -2.887 2
3 813 . 2 2 B 80 80 LYS CB C 309 29.470 32.282 -2.812 2
3 817 . 2 2 B 80 80 LYS N N 309 113.690 118.741 -5.051 2
3 818 . 2 2 B 81 81 TYR H H 310 7.770 7.779 -0.009 2
3 819 . 2 2 B 81 81 TYR HA H 310 4.260 5.051 -0.791 2
3 826 . 2 2 B 81 81 TYR CA C 310 54.230 56.431 -2.201 2
3 827 . 2 2 B 81 81 TYR CB C 310 36.270 40.871 -4.601 2
3 830 . 2 2 B 81 81 TYR N N 310 120.440 115.355 5.085 2
3 831 . 2 2 B 82 82 VAL H H 311 7.200 8.376 -1.176 2
3 832 . 2 2 B 82 82 VAL HA H 311 4.600 4.764 -0.164 2
3 840 . 2 2 B 82 82 VAL CA C 311 57.520 60.861 -3.341 2
3 841 . 2 2 B 82 82 VAL CB C 311 30.970 34.910 -3.940 2
3 844 . 2 2 B 82 82 VAL N N 311 121.020 120.281 0.739 2
3 845 . 2 2 B 83 83 PHE H H 312 9.280 9.781 -0.501 2
3 846 . 2 2 B 83 83 PHE HA H 312 4.810 5.109 -0.299 2
3 854 . 2 2 B 83 83 PHE CA C 312 54.990 56.047 -1.057 2
3 855 . 2 2 B 83 83 PHE CB C 312 43.140 42.722 0.418 2
3 856 . 2 2 B 83 83 PHE N N 312 121.070 125.031 -3.961 2
3 857 . 2 2 B 84 84 ASP H H 313 9.160 9.281 -0.121 2
3 858 . 2 2 B 84 84 ASP HA H 313 4.570 4.733 -0.163 2
3 861 . 2 2 B 84 84 ASP CA C 313 53.940 54.496 -0.556 2
3 862 . 2 2 B 84 84 ASP CB C 313 38.640 41.949 -3.309 2
3 863 . 2 2 B 84 84 ASP N N 313 117.870 123.153 -5.283 2
3 864 . 2 2 B 85 85 SER H H 314 7.600 8.004 -0.404 2
3 865 . 2 2 B 85 85 SER HA H 314 4.710 5.039 -0.329 2
3 868 . 2 2 B 85 85 SER CA C 314 53.690 56.760 -3.070 2
3 869 . 2 2 B 85 85 SER CB C 314 63.900 65.671 -1.771 2
3 870 . 2 2 B 85 85 SER N N 314 110.480 113.543 -3.063 2
3 871 . 2 2 B 86 86 ILE H H 315 8.920 9.141 -0.221 2
3 872 . 2 2 B 86 86 ILE HA H 315 3.490 3.886 -0.396 2
3 882 . 2 2 B 86 86 ILE CA C 315 63.970 66.084 -2.114 2
3 883 . 2 2 B 86 86 ILE CB C 315 32.780 35.317 -2.537 2
3 887 . 2 2 B 86 86 ILE N N 315 120.570 129.051 -8.481 2
3 888 . 2 2 B 87 87 PRO HA H 316 3.850 3.968 -0.118 2
3 895 . 2 2 B 87 87 PRO CA C 316 64.140 66.041 -1.901 2
3 896 . 2 2 B 87 87 PRO CB C 316 28.290 30.842 -2.552 2
3 899 . 2 2 B 88 88 LEU H H 317 7.200 7.666 -0.466 2
3 900 . 2 2 B 88 88 LEU HA H 317 3.860 3.872 -0.012 2
3 910 . 2 2 B 88 88 LEU CA C 317 55.370 57.564 -2.194 2
3 911 . 2 2 B 88 88 LEU CB C 317 39.260 41.710 -2.450 2
3 915 . 2 2 B 88 88 LEU N N 317 116.370 116.534 -0.164 2
3 916 . 2 2 B 89 89 LEU H H 318 7.110 7.932 -0.822 2
3 917 . 2 2 B 89 89 LEU HA H 318 2.530 3.371 -0.841 2
3 927 . 2 2 B 89 89 LEU CA C 318 55.390 57.719 -2.329 2
3 928 . 2 2 B 89 89 LEU CB C 318 40.270 41.515 -1.245 2
3 932 . 2 2 B 89 89 LEU N N 318 124.140 119.507 4.633 2
3 933 . 2 2 B 90 90 ILE H H 319 7.860 7.543 0.317 2
3 934 . 2 2 B 90 90 ILE HA H 319 2.950 3.148 -0.198 2
3 944 . 2 2 B 90 90 ILE CA C 319 58.340 64.116 -5.776 2
3 945 . 2 2 B 90 90 ILE CB C 319 31.920 36.449 -4.529 2
3 949 . 2 2 B 90 90 ILE N N 319 119.220 119.269 -0.049 2
3 950 . 2 2 B 91 91 GLN H H 320 7.730 7.571 0.159 2
3 951 . 2 2 B 91 91 GLN HA H 320 3.960 3.944 0.016 2
3 958 . 2 2 B 91 91 GLN CA C 320 56.230 58.765 -2.535 2
3 959 . 2 2 B 91 91 GLN CB C 320 26.080 28.488 -2.408 2
3 961 . 2 2 B 91 91 GLN N N 320 116.670 118.578 -1.908 2
3 963 . 2 2 B 92 92 TYR H H 321 7.510 8.101 -0.591 2
3 964 . 2 2 B 92 92 TYR HA H 321 3.830 4.182 -0.352 2
3 971 . 2 2 B 92 92 TYR CA C 321 59.830 61.364 -1.534 2
3 972 . 2 2 B 92 92 TYR CB C 321 36.420 38.306 -1.886 2
3 973 . 2 2 B 92 92 TYR N N 321 118.690 121.712 -3.022 2
3 974 . 2 2 B 93 93 HIS H H 322 7.600 7.649 -0.049 2
3 975 . 2 2 B 93 93 HIS HA H 322 4.500 3.622 0.878 2
3 981 . 2 2 B 93 93 HIS CA C 322 55.380 58.567 -3.187 2
3 982 . 2 2 B 93 93 HIS CB C 322 25.270 28.640 -3.370 2
3 985 . 2 2 B 93 93 HIS N N 322 116.790 117.193 -0.403 2
3 986 . 2 2 B 94 94 GLN H H 323 7.550 7.701 -0.151 2
3 987 . 2 2 B 94 94 GLN HA H 323 4.370 3.979 0.391 2
3 993 . 2 2 B 94 94 GLN CA C 323 54.890 58.310 -3.420 2
3 994 . 2 2 B 94 94 GLN CB C 323 27.470 28.627 -1.157 2
3 996 . 2 2 B 94 94 GLN N N 323 119.440 119.097 0.343 2
3 998 . 2 2 B 95 95 TYR H H 324 6.720 7.481 -0.761 2
3 999 . 2 2 B 95 95 TYR HA H 324 4.280 4.791 -0.511 2
3 1004 . 2 2 B 95 95 TYR CA C 324 55.700 57.873 -2.173 2
3 1005 . 2 2 B 95 95 TYR CB C 324 37.540 39.786 -2.246 2
3 1008 . 2 2 B 95 95 TYR N N 324 114.850 117.250 -2.400 2
3 1009 . 2 2 B 96 96 ASN H H 325 7.520 8.967 -1.447 2
3 1010 . 2 2 B 96 96 ASN HA H 325 4.470 4.467 0.003 2
3 1015 . 2 2 B 96 96 ASN CA C 325 49.420 55.163 -5.743 2
3 1016 . 2 2 B 96 96 ASN CB C 325 38.700 37.342 1.358 2
3 1017 . 2 2 B 96 96 ASN N N 325 117.860 120.738 -2.878 2
3 1019 . 2 2 B 97 97 GLY H H 326 8.660 8.193 0.467 2
3 1020 . 2 2 B 97 97 GLY CA C 326 43.670 45.134 -1.464 2
3 1021 . 2 2 B 97 97 GLY N N 326 109.820 108.612 1.208 2
3 1022 . 2 2 B 98 98 GLY H H 327 8.210 8.807 -0.597 2
3 1023 . 2 2 B 98 98 GLY HA2 H 327 4.320 3.765 0.555 2
3 1024 . 2 2 B 98 98 GLY HA3 H 327 3.690 4.423 -0.733 2
3 1025 . 2 2 B 98 98 GLY CA C 327 43.900 44.247 -0.347 2
3 1026 . 2 2 B 98 98 GLY N N 327 107.360 111.323 -3.963 2
3 1027 . 2 2 B 99 99 GLY H H 328 8.240 9.026 -0.786 2
3 1028 . 2 2 B 99 99 GLY HA2 H 328 4.090 3.945 0.145 2
3 1029 . 2 2 B 99 99 GLY HA3 H 328 3.510 3.989 -0.479 2
3 1030 . 2 2 B 99 99 GLY CA C 328 42.500 46.642 -4.142 2
3 1031 . 2 2 B 99 99 GLY N N 328 106.540 108.149 -1.609 2
3 1032 . 2 2 B 100 100 LEU H H 329 7.650 7.121 0.529 2
3 1033 . 2 2 B 100 100 LEU HA H 329 4.140 4.554 -0.414 2
3 1043 . 2 2 B 100 100 LEU CA C 329 51.300 52.990 -1.690 2
3 1044 . 2 2 B 100 100 LEU CB C 329 40.320 45.061 -4.741 2
3 1048 . 2 2 B 100 100 LEU N N 329 119.150 120.151 -1.001 2
3 1049 . 2 2 B 101 101 VAL H H 330 7.390 8.542 -1.152 2
3 1050 . 2 2 B 101 101 VAL HA H 330 3.790 3.932 -0.142 2
3 1055 . 2 2 B 101 101 VAL CA C 330 60.910 64.439 -3.529 2
3 1056 . 2 2 B 101 101 VAL CB C 330 29.280 31.691 -2.411 2
3 1058 . 2 2 B 101 101 VAL N N 330 114.690 125.339 -10.649 2
3 1059 . 2 2 B 102 102 THR H H 331 6.930 7.455 -0.525 2
3 1060 . 2 2 B 102 102 THR HA H 331 4.260 4.551 -0.291 2
3 1065 . 2 2 B 102 102 THR CA C 331 56.880 60.965 -4.085 2
3 1066 . 2 2 B 102 102 THR CB C 331 67.300 70.438 -3.138 2
3 1068 . 2 2 B 102 102 THR N N 331 112.890 107.996 4.894 2
3 1069 . 2 2 B 103 103 ARG H H 332 7.390 7.897 -0.507 2
3 1070 . 2 2 B 103 103 ARG HA H 332 3.960 3.997 -0.037 2
3 1073 . 2 2 B 103 103 ARG CA C 332 53.460 56.390 -2.930 2
3 1074 . 2 2 B 103 103 ARG CB C 332 28.780 29.066 -0.286 2
3 1077 . 2 2 B 103 103 ARG N N 332 120.110 118.243 1.867 2
3 1078 . 2 2 B 104 104 LEU H H 333 7.350 7.891 -0.541 2
3 1079 . 2 2 B 104 104 LEU HA H 333 3.610 4.025 -0.415 2
3 1089 . 2 2 B 104 104 LEU CA C 333 50.830 55.750 -4.920 2
3 1090 . 2 2 B 104 104 LEU CB C 333 34.160 41.517 -7.357 2
3 1094 . 2 2 B 104 104 LEU N N 333 119.490 125.040 -5.550 2
3 1095 . 2 2 B 105 105 ARG H H 334 8.170 8.832 -0.662 2
3 1096 . 2 2 B 105 105 ARG HA H 334 4.110 4.429 -0.319 2
3 1097 . 2 2 B 105 105 ARG CA C 334 55.210 56.678 -1.468 2
3 1098 . 2 2 B 105 105 ARG CB C 334 31.200 33.475 -2.275 2
3 1101 . 2 2 B 105 105 ARG N N 334 122.170 125.630 -3.460 2
3 1102 . 2 2 B 106 106 TYR H H 335 7.610 7.867 -0.257 2
3 1103 . 2 2 B 106 106 TYR HA H 335 5.160 4.888 0.272 2
3 1108 . 2 2 B 106 106 TYR CA C 335 51.850 56.262 -4.412 2
3 1109 . 2 2 B 106 106 TYR CB C 335 37.710 39.930 -2.220 2
3 1110 . 2 2 B 106 106 TYR N N 335 118.130 118.541 -0.411 2
3 1111 . 2 2 B 107 107 PRO HA H 336 3.490 3.508 -0.018 2
3 1118 . 2 2 B 107 107 PRO CA C 336 59.540 62.130 -2.590 2
3 1119 . 2 2 B 107 107 PRO CB C 336 30.010 32.184 -2.174 2
3 1122 . 2 2 B 108 108 VAL H H 337 8.160 7.758 0.402 2
3 1123 . 2 2 B 108 108 VAL HA H 337 3.940 4.713 -0.773 2
3 1131 . 2 2 B 108 108 VAL CA C 337 59.350 60.353 -1.003 2
3 1132 . 2 2 B 108 108 VAL CB C 337 30.660 35.445 -4.785 2
3 1135 . 2 2 B 108 108 VAL N N 337 124.750 120.080 4.670 2
3 1136 . 2 2 B 109 109 CYS H H 338 8.200 8.890 -0.690 2
3 1137 . 2 2 B 109 109 CYS HA H 338 4.630 5.199 -0.569 2
3 1140 . 2 2 B 109 109 CYS CA C 338 54.760 57.308 -2.548 2
3 1141 . 2 2 B 109 109 CYS CB C 338 26.090 30.866 -4.776 2
3 1142 . 2 2 B 109 109 CYS N N 338 124.320 125.151 -0.831 2
4 4 . 1 1 A 2 2 SER HA H 170 4.480 4.138 0.342 2
4 5 . 1 1 A 2 2 SER CA C 170 53.340 58.788 -5.448 2
4 6 . 1 1 A 2 2 SER CB C 170 61.220 61.957 -0.737 2
4 7 . 1 1 A 3 3 PRO HA H 171 4.280 4.360 -0.080 2
4 12 . 1 1 A 3 3 PRO C C 171 174.250 176.958 -2.708 2
4 13 . 1 1 A 3 3 PRO CA C 171 61.250 65.410 -4.160 2
4 14 . 1 1 A 3 3 PRO CB C 171 29.410 31.304 -1.894 2
4 17 . 1 1 A 4 4 GLU H H 172 8.320 8.351 -0.031 2
4 18 . 1 1 A 4 4 GLU HA H 172 4.080 4.437 -0.357 2
4 23 . 1 1 A 4 4 GLU C C 172 173.560 176.073 -2.513 2
4 24 . 1 1 A 4 4 GLU CA C 172 54.430 57.282 -2.852 2
4 25 . 1 1 A 4 4 GLU CB C 172 27.260 32.727 -5.467 2
4 27 . 1 1 A 4 4 GLU N N 172 119.340 115.861 3.479 2
4 28 . 1 1 A 5 5 GLU H H 173 8.030 8.169 -0.139 2
4 29 . 1 1 A 5 5 GLU HA H 173 4.250 5.029 -0.779 2
4 32 . 1 1 A 5 5 GLU C C 173 173.220 174.210 -0.990 2
4 33 . 1 1 A 5 5 GLU CA C 173 54.170 54.761 -0.591 2
4 34 . 1 1 A 5 5 GLU CB C 173 28.110 33.233 -5.123 2
4 36 . 1 1 A 5 5 GLU N N 173 120.540 116.496 4.044 2
4 37 . 1 1 A 6 6 THR H H 174 8.550 8.788 -0.238 2
4 38 . 1 1 A 6 6 THR HA H 174 4.270 4.916 -0.646 2
4 43 . 1 1 A 6 6 THR C C 174 170.120 172.506 -2.386 2
4 44 . 1 1 A 6 6 THR CA C 174 59.950 59.481 0.469 2
4 45 . 1 1 A 6 6 THR CB C 174 67.500 71.543 -4.043 2
4 47 . 1 1 A 6 6 THR N N 174 118.970 114.961 4.009 2
4 48 . 1 1 A 7 7 LEU H H 175 8.430 8.646 -0.216 2
4 49 . 1 1 A 7 7 LEU HA H 175 5.060 5.332 -0.272 2
4 59 . 1 1 A 7 7 LEU C C 175 174.370 176.072 -1.702 2
4 60 . 1 1 A 7 7 LEU CA C 175 51.340 53.339 -1.999 2
4 61 . 1 1 A 7 7 LEU CB C 175 41.990 44.641 -2.651 2
4 65 . 1 1 A 7 7 LEU N N 175 127.150 123.771 3.379 2
4 66 . 1 1 A 8 8 VAL H H 176 9.210 8.934 0.276 2
4 67 . 1 1 A 8 8 VAL HA H 176 5.110 5.313 -0.203 2
4 75 . 1 1 A 8 8 VAL C C 176 170.850 174.626 -3.776 2
4 76 . 1 1 A 8 8 VAL CA C 176 55.440 59.285 -3.845 2
4 77 . 1 1 A 8 8 VAL CB C 176 33.010 35.667 -2.657 2
4 80 . 1 1 A 8 8 VAL N N 176 114.580 117.405 -2.825 2
4 81 . 1 1 A 9 9 ILE H H 177 9.260 8.212 1.048 2
4 82 . 1 1 A 9 9 ILE HA H 177 5.000 5.065 -0.065 2
4 92 . 1 1 A 9 9 ILE C C 177 173.310 174.960 -1.650 2
4 93 . 1 1 A 9 9 ILE CA C 177 56.040 59.809 -3.769 2
4 94 . 1 1 A 9 9 ILE CB C 177 38.730 42.194 -3.464 2
4 98 . 1 1 A 9 9 ILE N N 177 120.620 121.748 -1.128 2
4 99 . 1 1 A 10 10 ALA H H 178 8.170 8.492 -0.322 2
4 100 . 1 1 A 10 10 ALA HA H 178 4.980 4.747 0.233 2
4 104 . 1 1 A 10 10 ALA C C 178 176.180 178.181 -2.001 2
4 105 . 1 1 A 10 10 ALA CA C 178 48.680 51.900 -3.220 2
4 106 . 1 1 A 10 10 ALA CB C 178 17.340 19.050 -1.710 2
4 107 . 1 1 A 10 10 ALA N N 178 125.400 128.303 -2.903 2
4 108 . 1 1 A 11 11 LEU H H 179 9.280 8.578 0.702 2
4 109 . 1 1 A 11 11 LEU HA H 179 3.890 3.910 -0.020 2
4 119 . 1 1 A 11 11 LEU C C 179 172.780 176.318 -3.538 2
4 120 . 1 1 A 11 11 LEU CA C 179 52.830 57.091 -4.261 2
4 121 . 1 1 A 11 11 LEU CB C 179 41.260 41.785 -0.525 2
4 125 . 1 1 A 11 11 LEU N N 179 125.950 125.563 0.387 2
4 126 . 1 1 A 12 12 TYR H H 180 7.050 7.706 -0.656 2
4 127 . 1 1 A 12 12 TYR HA H 180 4.540 4.827 -0.287 2
4 130 . 1 1 A 12 12 TYR C C 180 171.060 174.333 -3.273 2
4 131 . 1 1 A 12 12 TYR CA C 180 50.730 56.866 -6.136 2
4 132 . 1 1 A 12 12 TYR CB C 180 40.100 41.489 -1.389 2
4 133 . 1 1 A 12 12 TYR N N 180 112.080 115.131 -3.051 2
4 134 . 1 1 A 13 13 ASP H H 181 8.080 8.608 -0.528 2
4 135 . 1 1 A 13 13 ASP HA H 181 4.480 4.882 -0.402 2
4 138 . 1 1 A 13 13 ASP C C 181 173.220 174.583 -1.363 2
4 139 . 1 1 A 13 13 ASP CA C 181 51.870 52.980 -1.110 2
4 140 . 1 1 A 13 13 ASP CB C 181 39.090 40.068 -0.978 2
4 141 . 1 1 A 13 13 ASP N N 181 117.790 122.332 -4.542 2
4 142 . 1 1 A 14 14 TYR H H 182 8.630 8.775 -0.145 2
4 143 . 1 1 A 14 14 TYR HA H 182 4.820 4.942 -0.122 2
4 144 . 1 1 A 14 14 TYR C C 182 171.110 175.149 -4.039 2
4 145 . 1 1 A 14 14 TYR CA C 182 54.940 58.880 -3.940 2
4 146 . 1 1 A 14 14 TYR CB C 182 38.790 39.940 -1.150 2
4 147 . 1 1 A 14 14 TYR N N 182 121.410 127.856 -6.446 2
4 148 . 1 1 A 15 15 GLN H H 183 7.880 7.912 -0.032 2
4 149 . 1 1 A 15 15 GLN HA H 183 4.360 4.822 -0.462 2
4 154 . 1 1 A 15 15 GLN C C 183 171.200 174.229 -3.029 2
4 155 . 1 1 A 15 15 GLN CA C 183 51.630 53.967 -2.337 2
4 156 . 1 1 A 15 15 GLN CB C 183 26.820 32.322 -5.502 2
4 158 . 1 1 A 15 15 GLN N N 183 125.990 126.069 -0.079 2
4 160 . 1 1 A 16 16 THR H H 184 7.780 9.051 -1.271 2
4 161 . 1 1 A 16 16 THR HA H 184 4.240 4.579 -0.339 2
4 166 . 1 1 A 16 16 THR C C 184 169.150 174.428 -5.278 2
4 167 . 1 1 A 16 16 THR CA C 184 56.900 62.175 -5.275 2
4 168 . 1 1 A 16 16 THR CB C 184 66.050 70.064 -4.014 2
4 170 . 1 1 A 16 16 THR N N 184 115.350 119.979 -4.629 2
4 171 . 1 1 A 17 17 ASN H H 185 8.550 9.147 -0.597 2
4 172 . 1 1 A 17 17 ASN HA H 185 4.800 5.012 -0.212 2
4 177 . 1 1 A 17 17 ASN C C 185 171.880 174.524 -2.644 2
4 178 . 1 1 A 17 17 ASN CA C 185 49.560 52.958 -3.398 2
4 179 . 1 1 A 17 17 ASN CB C 185 37.270 40.301 -3.031 2
4 180 . 1 1 A 17 17 ASN N N 185 122.730 120.486 2.244 2
4 182 . 1 1 A 18 18 ASP H H 186 8.440 7.711 0.729 2
4 183 . 1 1 A 18 18 ASP HA H 186 4.720 5.129 -0.409 2
4 186 . 1 1 A 18 18 ASP CA C 186 49.410 50.679 -1.269 2
4 187 . 1 1 A 18 18 ASP CB C 186 40.480 42.768 -2.288 2
4 188 . 1 1 A 18 18 ASP N N 186 125.820 118.036 7.784 2
4 189 . 1 1 A 19 19 PRO HA H 187 4.410 4.339 0.071 2
4 194 . 1 1 A 19 19 PRO C C 187 174.890 178.825 -3.935 2
4 195 . 1 1 A 19 19 PRO CA C 187 61.870 65.471 -3.601 2
4 196 . 1 1 A 19 19 PRO CB C 187 29.790 31.679 -1.889 2
4 199 . 1 1 A 20 20 GLN H H 188 8.800 8.540 0.260 2
4 200 . 1 1 A 20 20 GLN HA H 188 4.470 4.020 0.450 2
4 205 . 1 1 A 20 20 GLN C C 188 174.070 176.933 -2.863 2
4 206 . 1 1 A 20 20 GLN CA C 188 53.450 59.197 -5.747 2
4 207 . 1 1 A 20 20 GLN CB C 188 27.170 28.296 -1.126 2
4 209 . 1 1 A 20 20 GLN N N 188 115.800 117.172 -1.372 2
4 211 . 1 1 A 21 21 GLU H H 189 7.890 7.830 0.060 2
4 212 . 1 1 A 21 21 GLU HA H 189 5.340 4.618 0.722 2
4 215 . 1 1 A 21 21 GLU C C 189 171.580 175.567 -3.987 2
4 216 . 1 1 A 21 21 GLU CA C 189 52.400 57.208 -4.808 2
4 217 . 1 1 A 21 21 GLU CB C 189 31.190 30.290 0.900 2
4 219 . 1 1 A 21 21 GLU N N 189 120.420 118.174 2.246 2
4 220 . 1 1 A 22 22 LEU H H 190 8.050 8.626 -0.576 2
4 221 . 1 1 A 22 22 LEU HA H 190 4.360 4.997 -0.637 2
4 231 . 1 1 A 22 22 LEU C C 190 170.880 176.657 -5.777 2
4 232 . 1 1 A 22 22 LEU CA C 190 50.440 53.686 -3.246 2
4 233 . 1 1 A 22 22 LEU CB C 190 42.940 44.717 -1.777 2
4 237 . 1 1 A 22 22 LEU N N 190 122.970 124.700 -1.730 2
4 238 . 1 1 A 23 23 ALA H H 191 7.780 8.616 -0.836 2
4 239 . 1 1 A 23 23 ALA HA H 191 4.300 4.805 -0.505 2
4 243 . 1 1 A 23 23 ALA C C 191 174.830 177.679 -2.849 2
4 244 . 1 1 A 23 23 ALA CA C 191 49.650 52.835 -3.185 2
4 245 . 1 1 A 23 23 ALA CB C 191 16.330 19.217 -2.887 2
4 246 . 1 1 A 23 23 ALA N N 191 124.710 128.088 -3.378 2
4 247 . 1 1 A 24 24 LEU H H 192 8.540 8.944 -0.404 2
4 248 . 1 1 A 24 24 LEU HA H 192 4.930 5.401 -0.471 2
4 258 . 1 1 A 24 24 LEU C C 192 175.040 175.714 -0.674 2
4 259 . 1 1 A 24 24 LEU CA C 192 50.000 53.379 -3.379 2
4 260 . 1 1 A 24 24 LEU CB C 192 42.370 45.551 -3.181 2
4 264 . 1 1 A 24 24 LEU N N 192 117.070 121.079 -4.009 2
4 265 . 1 1 A 25 25 ARG H H 193 8.230 8.848 -0.618 2
4 266 . 1 1 A 25 25 ARG HA H 193 4.840 4.730 0.110 2
4 271 . 1 1 A 25 25 ARG C C 193 171.470 174.174 -2.704 2
4 272 . 1 1 A 25 25 ARG CA C 193 51.000 55.910 -4.910 2
4 273 . 1 1 A 25 25 ARG CB C 193 29.930 33.893 -3.963 2
4 276 . 1 1 A 25 25 ARG N N 193 123.480 120.228 3.252 2
4 278 . 1 1 A 26 26 CYS H H 194 8.850 8.520 0.330 2
4 279 . 1 1 A 26 26 CYS HA H 194 3.260 4.532 -1.272 2
4 280 . 1 1 A 26 26 CYS C C 194 172.080 175.291 -3.211 2
4 281 . 1 1 A 26 26 CYS CA C 194 58.800 59.411 -0.611 2
4 282 . 1 1 A 26 26 CYS CB C 194 24.000 28.387 -4.387 2
4 283 . 1 1 A 26 26 CYS N N 194 122.990 123.155 -0.165 2
4 284 . 1 1 A 27 27 ASP H H 195 8.890 8.957 -0.067 2
4 285 . 1 1 A 27 27 ASP HA H 195 4.140 4.172 -0.032 2
4 288 . 1 1 A 27 27 ASP C C 195 172.460 174.137 -1.677 2
4 289 . 1 1 A 27 27 ASP CA C 195 55.060 55.417 -0.357 2
4 290 . 1 1 A 27 27 ASP CB C 195 37.070 39.634 -2.564 2
4 291 . 1 1 A 27 27 ASP N N 195 120.590 120.570 0.020 2
4 292 . 1 1 A 28 28 GLU H H 196 8.280 7.429 0.851 2
4 293 . 1 1 A 28 28 GLU HA H 196 4.180 4.676 -0.496 2
4 294 . 1 1 A 28 28 GLU C C 196 170.880 175.096 -4.216 2
4 295 . 1 1 A 28 28 GLU CA C 196 54.050 55.047 -0.997 2
4 296 . 1 1 A 28 28 GLU CB C 196 27.260 31.937 -4.677 2
4 298 . 1 1 A 28 28 GLU N N 196 122.550 118.800 3.750 2
4 299 . 1 1 A 29 29 GLU H H 197 7.750 8.649 -0.899 2
4 300 . 1 1 A 29 29 GLU HA H 197 5.050 5.237 -0.187 2
4 303 . 1 1 A 29 29 GLU C C 197 172.340 173.906 -1.566 2
4 304 . 1 1 A 29 29 GLU CA C 197 51.660 54.328 -2.668 2
4 305 . 1 1 A 29 29 GLU CB C 197 29.810 33.281 -3.471 2
4 307 . 1 1 A 29 29 GLU N N 197 119.290 124.479 -5.189 2
4 308 . 1 1 A 30 30 TYR H H 198 9.100 8.857 0.243 2
4 309 . 1 1 A 30 30 TYR HA H 198 4.400 5.147 -0.747 2
4 312 . 1 1 A 30 30 TYR C C 198 171.550 173.785 -2.235 2
4 313 . 1 1 A 30 30 TYR CA C 198 53.850 56.456 -2.606 2
4 314 . 1 1 A 30 30 TYR CB C 198 39.430 43.581 -4.151 2
4 315 . 1 1 A 30 30 TYR N N 198 119.140 119.072 0.068 2
4 316 . 1 1 A 31 31 TYR H H 199 9.210 8.759 0.451 2
4 317 . 1 1 A 31 31 TYR HA H 199 4.820 5.363 -0.543 2
4 320 . 1 1 A 31 31 TYR C C 199 173.490 174.751 -1.261 2
4 321 . 1 1 A 31 31 TYR CA C 199 54.930 56.775 -1.845 2
4 322 . 1 1 A 31 31 TYR CB C 199 36.360 42.724 -6.364 2
4 323 . 1 1 A 31 31 TYR N N 199 119.550 118.572 0.978 2
4 324 . 1 1 A 32 32 LEU H H 200 8.780 8.486 0.294 2
4 325 . 1 1 A 32 32 LEU HA H 200 4.320 5.210 -0.890 2
4 335 . 1 1 A 32 32 LEU C C 200 172.580 175.669 -3.089 2
4 336 . 1 1 A 32 32 LEU CA C 200 52.210 53.650 -1.440 2
4 337 . 1 1 A 32 32 LEU CB C 200 40.010 45.401 -5.391 2
4 341 . 1 1 A 32 32 LEU N N 200 124.640 122.970 1.670 2
4 342 . 1 1 A 33 33 LEU H H 201 8.780 8.767 0.013 2
4 343 . 1 1 A 33 33 LEU HA H 201 4.380 4.631 -0.251 2
4 353 . 1 1 A 33 33 LEU C C 201 174.860 176.979 -2.119 2
4 354 . 1 1 A 33 33 LEU CA C 201 52.880 55.670 -2.790 2
4 355 . 1 1 A 33 33 LEU CB C 201 39.770 43.724 -3.954 2
4 359 . 1 1 A 33 33 LEU N N 201 127.460 126.843 0.617 2
4 360 . 1 1 A 34 34 ASP H H 202 7.420 7.994 -0.574 2
4 361 . 1 1 A 34 34 ASP HA H 202 4.670 4.910 -0.240 2
4 362 . 1 1 A 34 34 ASP C C 202 172.400 175.953 -3.553 2
4 363 . 1 1 A 34 34 ASP CA C 202 52.100 53.153 -1.053 2
4 364 . 1 1 A 34 34 ASP CB C 202 40.810 41.472 -0.662 2
4 365 . 1 1 A 34 34 ASP N N 202 114.900 119.553 -4.653 2
4 366 . 1 1 A 35 35 SER H H 203 9.020 8.865 0.155 2
4 367 . 1 1 A 35 35 SER HA H 203 4.260 3.979 0.281 2
4 370 . 1 1 A 35 35 SER C C 203 171.380 176.494 -5.114 2
4 371 . 1 1 A 35 35 SER CA C 203 54.280 59.741 -5.461 2
4 372 . 1 1 A 35 35 SER CB C 203 59.710 62.943 -3.233 2
4 373 . 1 1 A 35 35 SER N N 203 123.910 121.633 2.277 2
4 374 . 1 1 A 36 36 SER H H 204 8.530 7.437 1.093 2
4 375 . 1 1 A 36 36 SER HA H 204 3.980 4.302 -0.322 2
4 378 . 1 1 A 36 36 SER C C 204 172.840 175.246 -2.406 2
4 379 . 1 1 A 36 36 SER CA C 204 59.360 61.489 -2.129 2
4 380 . 1 1 A 36 36 SER CB C 204 60.710 62.510 -1.800 2
4 381 . 1 1 A 36 36 SER N N 204 118.780 113.962 4.818 2
4 382 . 1 1 A 37 37 GLU H H 205 8.820 7.769 1.051 2
4 383 . 1 1 A 37 37 GLU HA H 205 4.560 4.233 0.327 2
4 386 . 1 1 A 37 37 GLU C C 205 173.900 176.296 -2.396 2
4 387 . 1 1 A 37 37 GLU CA C 205 52.940 56.991 -4.051 2
4 388 . 1 1 A 37 37 GLU CB C 205 27.150 29.865 -2.715 2
4 390 . 1 1 A 37 37 GLU N N 205 122.890 121.799 1.091 2
4 391 . 1 1 A 38 38 ILE H H 206 8.150 8.124 0.026 2
4 392 . 1 1 A 38 38 ILE HA H 206 3.760 3.933 -0.173 2
4 402 . 1 1 A 38 38 ILE C C 206 176.060 177.509 -1.449 2
4 403 . 1 1 A 38 38 ILE CA C 206 62.050 63.405 -1.355 2
4 404 . 1 1 A 38 38 ILE CB C 206 35.420 37.557 -2.137 2
4 408 . 1 1 A 38 38 ILE N N 206 116.810 123.195 -6.385 2
4 409 . 1 1 A 39 39 HIS H H 207 8.440 6.705 1.735 2
4 410 . 1 1 A 39 39 HIS HA H 207 4.150 4.129 0.021 2
4 416 . 1 1 A 39 39 HIS C C 207 173.020 174.015 -0.995 2
4 417 . 1 1 A 39 39 HIS CA C 207 55.690 58.120 -2.430 2
4 418 . 1 1 A 39 39 HIS CB C 207 29.140 29.407 -0.267 2
4 421 . 1 1 A 39 39 HIS N N 207 116.600 118.204 -1.604 2
4 422 . 1 1 A 40 40 TRP H H 208 7.100 8.415 -1.315 2
4 423 . 1 1 A 40 40 TRP HA H 208 4.810 5.084 -0.274 2
4 432 . 1 1 A 40 40 TRP C C 208 171.200 175.152 -3.952 2
4 433 . 1 1 A 40 40 TRP CA C 208 53.660 55.460 -1.800 2
4 434 . 1 1 A 40 40 TRP CB C 208 29.830 32.197 -2.367 2
4 440 . 1 1 A 40 40 TRP N N 208 119.390 117.248 2.142 2
4 442 . 1 1 A 41 41 TRP H H 209 9.270 8.738 0.532 2
4 443 . 1 1 A 41 41 TRP HA H 209 5.390 5.295 0.095 2
4 452 . 1 1 A 41 41 TRP C C 209 172.020 176.077 -4.057 2
4 453 . 1 1 A 41 41 TRP CA C 209 50.600 55.725 -5.125 2
4 454 . 1 1 A 41 41 TRP CB C 209 29.620 30.591 -0.971 2
4 460 . 1 1 A 41 41 TRP N N 209 123.790 122.698 1.092 2
4 462 . 1 1 A 42 42 ARG H H 210 8.800 8.912 -0.112 2
4 463 . 1 1 A 42 42 ARG HA H 210 4.420 4.327 0.093 2
4 468 . 1 1 A 42 42 ARG C C 210 172.580 176.331 -3.751 2
4 469 . 1 1 A 42 42 ARG CA C 210 53.180 57.315 -4.135 2
4 470 . 1 1 A 42 42 ARG CB C 210 29.280 31.059 -1.779 2
4 473 . 1 1 A 42 42 ARG N N 210 123.290 125.391 -2.101 2
4 475 . 1 1 A 43 43 VAL H H 211 8.890 8.840 0.050 2
4 476 . 1 1 A 43 43 VAL HA H 211 5.360 5.243 0.117 2
4 484 . 1 1 A 43 43 VAL C C 211 170.440 173.631 -3.191 2
4 485 . 1 1 A 43 43 VAL CA C 211 56.190 58.906 -2.716 2
4 486 . 1 1 A 43 43 VAL CB C 211 34.090 35.941 -1.851 2
4 489 . 1 1 A 43 43 VAL N N 211 121.460 118.623 2.837 2
4 490 . 1 1 A 44 44 GLN H H 212 8.910 8.891 0.019 2
4 491 . 1 1 A 44 44 GLN HA H 212 5.620 5.055 0.565 2
4 498 . 1 1 A 44 44 GLN C C 212 172.900 174.839 -1.939 2
4 499 . 1 1 A 44 44 GLN CA C 212 50.830 54.326 -3.496 2
4 500 . 1 1 A 44 44 GLN CB C 212 32.450 31.917 0.533 2
4 502 . 1 1 A 44 44 GLN N N 212 119.220 121.842 -2.622 2
4 504 . 1 1 A 45 45 ASP H H 213 9.170 8.556 0.614 2
4 505 . 1 1 A 45 45 ASP HA H 213 4.970 4.788 0.182 2
4 508 . 1 1 A 45 45 ASP C C 213 175.510 177.600 -2.090 2
4 509 . 1 1 A 45 45 ASP CA C 213 49.920 54.676 -4.756 2
4 510 . 1 1 A 45 45 ASP CB C 213 40.390 42.858 -2.468 2
4 511 . 1 1 A 45 45 ASP N N 213 125.570 128.049 -2.479 2
4 512 . 1 1 A 46 46 LYS H H 214 8.860 8.758 0.102 2
4 513 . 1 1 A 46 46 LYS HA H 214 4.100 4.028 0.072 2
4 516 . 1 1 A 46 46 LYS C C 214 174.130 178.280 -4.150 2
4 517 . 1 1 A 46 46 LYS CA C 214 55.740 59.869 -4.129 2
4 518 . 1 1 A 46 46 LYS CB C 214 28.870 32.115 -3.245 2
4 522 . 1 1 A 46 46 LYS N N 214 117.280 125.853 -8.573 2
4 523 . 1 1 A 47 47 ASN H H 215 8.240 7.924 0.316 2
4 524 . 1 1 A 47 47 ASN HA H 215 4.800 4.667 0.133 2
4 529 . 1 1 A 47 47 ASN C C 215 172.460 175.852 -3.392 2
4 530 . 1 1 A 47 47 ASN CA C 215 50.400 53.894 -3.494 2
4 531 . 1 1 A 47 47 ASN CB C 215 37.100 38.564 -1.464 2
4 532 . 1 1 A 47 47 ASN N N 215 117.030 114.666 2.364 2
4 534 . 1 1 A 48 48 GLY H H 216 7.960 8.341 -0.381 2
4 535 . 1 1 A 48 48 GLY HA2 H 216 4.100 4.123 -0.023 2
4 536 . 1 1 A 48 48 GLY HA3 H 216 3.410 4.138 -0.728 2
4 537 . 1 1 A 48 48 GLY C C 216 171.670 174.563 -2.893 2
4 538 . 1 1 A 48 48 GLY CA C 216 42.750 45.507 -2.757 2
4 539 . 1 1 A 48 48 GLY N N 216 107.550 106.042 1.508 2
4 540 . 1 1 A 49 49 HIS H H 217 8.490 7.992 0.498 2
4 541 . 1 1 A 49 49 HIS HA H 217 4.590 4.565 0.025 2
4 547 . 1 1 A 49 49 HIS C C 217 171.140 173.859 -2.719 2
4 548 . 1 1 A 49 49 HIS CA C 217 53.480 55.543 -2.063 2
4 549 . 1 1 A 49 49 HIS CB C 217 26.840 29.727 -2.887 2
4 552 . 1 1 A 49 49 HIS N N 217 123.110 117.844 5.266 2
4 553 . 1 1 A 50 50 GLU H H 218 8.600 8.736 -0.136 2
4 554 . 1 1 A 50 50 GLU HA H 218 5.680 5.153 0.527 2
4 557 . 1 1 A 50 50 GLU C C 218 173.370 175.688 -2.318 2
4 558 . 1 1 A 50 50 GLU CA C 218 51.360 55.101 -3.741 2
4 559 . 1 1 A 50 50 GLU CB C 218 32.050 32.020 0.030 2
4 561 . 1 1 A 50 50 GLU N N 218 120.320 122.467 -2.147 2
4 562 . 1 1 A 51 51 GLY H H 219 8.500 8.399 0.101 2
4 563 . 1 1 A 51 51 GLY HA2 H 219 3.810 4.006 -0.196 2
4 564 . 1 1 A 51 51 GLY HA3 H 219 3.650 4.154 -0.504 2
4 565 . 1 1 A 51 51 GLY C C 219 167.980 171.163 -3.183 2
4 566 . 1 1 A 51 51 GLY CA C 219 42.690 45.540 -2.850 2
4 567 . 1 1 A 51 51 GLY N N 219 106.290 108.578 -2.288 2
4 568 . 1 1 A 52 52 TYR H H 220 8.820 8.486 0.334 2
4 569 . 1 1 A 52 52 TYR HA H 220 5.220 4.896 0.324 2
4 572 . 1 1 A 52 52 TYR C C 220 172.610 176.230 -3.620 2
4 573 . 1 1 A 52 52 TYR CA C 220 56.520 58.735 -2.215 2
4 574 . 1 1 A 52 52 TYR CB C 220 38.570 39.521 -0.951 2
4 575 . 1 1 A 52 52 TYR N N 220 118.140 119.720 -1.580 2
4 576 . 1 1 A 53 53 ALA H H 221 9.360 9.041 0.319 2
4 577 . 1 1 A 53 53 ALA HA H 221 4.750 5.083 -0.333 2
4 581 . 1 1 A 53 53 ALA CA C 221 47.010 49.497 -2.487 2
4 582 . 1 1 A 53 53 ALA CB C 221 18.810 21.700 -2.890 2
4 583 . 1 1 A 53 53 ALA N N 221 122.380 126.259 -3.879 2
4 584 . 1 1 A 54 54 PRO HA H 222 3.360 3.756 -0.396 2
4 591 . 1 1 A 54 54 PRO C C 222 175.570 176.146 -0.576 2
4 592 . 1 1 A 54 54 PRO CA C 222 58.950 62.377 -3.427 2
4 593 . 1 1 A 54 54 PRO CB C 222 28.140 32.727 -4.587 2
4 596 . 1 1 A 55 55 SER H H 223 7.520 8.256 -0.736 2
4 597 . 1 1 A 55 55 SER HA H 223 2.610 3.373 -0.763 2
4 600 . 1 1 A 55 55 SER C C 223 173.660 176.072 -2.412 2
4 601 . 1 1 A 55 55 SER CA C 223 57.510 59.959 -2.449 2
4 602 . 1 1 A 55 55 SER CB C 223 57.450 63.114 -5.664 2
4 603 . 1 1 A 55 55 SER N N 223 121.830 117.434 4.396 2
4 604 . 1 1 A 56 56 SER H H 224 8.110 7.693 0.417 2
4 605 . 1 1 A 56 56 SER HA H 224 3.990 4.063 -0.073 2
4 608 . 1 1 A 56 56 SER C C 224 172.670 175.737 -3.067 2
4 609 . 1 1 A 56 56 SER CA C 224 57.610 62.130 -4.520 2
4 610 . 1 1 A 56 56 SER CB C 224 60.270 63.030 -2.760 2
4 611 . 1 1 A 56 56 SER N N 224 115.290 116.511 -1.221 2
4 612 . 1 1 A 57 57 TYR H H 225 7.400 7.427 -0.027 2
4 613 . 1 1 A 57 57 TYR HA H 225 4.440 4.524 -0.084 2
4 616 . 1 1 A 57 57 TYR C C 225 171.350 175.197 -3.847 2
4 617 . 1 1 A 57 57 TYR CA C 225 55.160 60.093 -4.933 2
4 618 . 1 1 A 57 57 TYR CB C 225 35.600 38.667 -3.067 2
4 619 . 1 1 A 57 57 TYR N N 225 121.550 118.662 2.888 2
4 620 . 1 1 A 58 58 LEU H H 226 7.330 7.613 -0.283 2
4 621 . 1 1 A 58 58 LEU HA H 226 5.240 5.131 0.109 2
4 631 . 1 1 A 58 58 LEU C C 226 172.260 175.831 -3.571 2
4 632 . 1 1 A 58 58 LEU CA C 226 51.250 53.637 -2.387 2
4 633 . 1 1 A 58 58 LEU CB C 226 44.760 44.846 -0.086 2
4 637 . 1 1 A 58 58 LEU N N 226 120.810 120.486 0.324 2
4 638 . 1 1 A 59 59 VAL H H 227 8.500 8.924 -0.424 2
4 639 . 1 1 A 59 59 VAL HA H 227 4.590 4.896 -0.306 2
4 647 . 1 1 A 59 59 VAL C C 227 171.700 174.583 -2.883 2
4 648 . 1 1 A 59 59 VAL CA C 227 56.850 59.232 -2.382 2
4 649 . 1 1 A 59 59 VAL CB C 227 33.190 35.744 -2.554 2
4 652 . 1 1 A 59 59 VAL N N 227 115.550 117.383 -1.833 2
4 653 . 1 1 A 60 60 GLU H H 228 8.910 8.618 0.292 2
4 654 . 1 1 A 60 60 GLU HA H 228 4.300 4.446 -0.146 2
4 657 . 1 1 A 60 60 GLU C C 228 173.570 177.526 -3.956 2
4 658 . 1 1 A 60 60 GLU CA C 228 55.280 56.925 -1.645 2
4 659 . 1 1 A 60 60 GLU CB C 228 27.610 29.888 -2.278 2
4 661 . 1 1 A 60 60 GLU N N 228 124.940 124.518 0.422 2
4 662 . 1 1 A 61 61 LYS H H 229 8.310 9.416 -1.106 2
4 663 . 1 1 A 61 61 LYS HA H 229 4.070 3.813 0.257 2
4 670 . 1 1 A 61 61 LYS C C 229 173.400 176.319 -2.919 2
4 671 . 1 1 A 61 61 LYS CA C 229 54.220 59.478 -5.258 2
4 672 . 1 1 A 61 61 LYS CB C 229 31.390 32.473 -1.083 2
4 676 . 1 1 A 61 61 LYS N N 229 125.780 126.392 -0.612 2
4 677 . 1 1 A 62 62 SER H H 230 8.550 7.996 0.554 2
4 678 . 1 1 A 62 62 SER HA H 230 4.670 4.127 0.543 2
4 681 . 1 1 A 62 62 SER CA C 230 53.680 59.098 -5.418 2
4 682 . 1 1 A 62 62 SER CB C 230 60.670 61.604 -0.934 2
4 683 . 1 1 A 62 62 SER N N 230 121.050 114.265 6.785 2
stop_
save_